Program PWSCF v.5.4.0 starts on 12Feb2017 at 3:49:55 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./KH4O2F.save/ file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 54 33 9 3442 1652 257 Max 55 34 10 3448 1684 266 Sum 1945 1211 353 124011 60113 9433 bravais-lattice index = 14 lattice parameter (alat) = 7.7139 a.u. unit-cell volume = 1259.7421 (a.u.)^3 number of atoms/cell = 16 number of atomic types = 4 number of electrons = 64.00 number of Kohn-Sham states= 76 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.713861 celldm(2)= 1.269476 celldm(3)= 2.161930 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.269476 0.000000 ) a(3) = ( 0.000000 0.000000 2.161930 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.787727 -0.000000 ) b(3) = ( 0.000000 0.000000 0.462550 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for K read from file: /users/gautes/Pseudo/K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3dd1b7807415f540a701f2a402ca1bb0 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1165 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 4 for F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) H 1.00 1.00790 H( 1.00) K 9.00 39.09830 K( 1.00) F 7.00 18.99840 F( 1.00) 4 Sym. Ops. (no inversion) found ( 2 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.0809652 ) isym = 3 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 3) = ( 1.0000000 -0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.0809652 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_2v (mm2) there are 5 classes and 1 irreducible representations the character table: E -E C2 s_v s_v' -C2 -s_v -s_v' G_5 2.00 -2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] s_v -s_v 3 -3 inv. 180 deg rotation - cart. axis [0,1,0] s_v'-s_v' 4 -4 inv. 180 deg rotation - cart. axis [1,0,0] Cartesian axes number of k points= 364 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 2) = ( 0.0128205 -0.0000000 -0.0000000), wk = 0.0027473 k( 3) = ( 0.0256410 -0.0000000 -0.0000000), wk = 0.0027473 k( 4) = ( 0.0384615 -0.0000000 -0.0000000), wk = 0.0027473 k( 5) = ( 0.0512821 -0.0000000 -0.0000000), wk = 0.0027473 k( 6) = ( 0.0641026 -0.0000000 -0.0000000), wk = 0.0027473 k( 7) = ( 0.0769231 -0.0000000 -0.0000000), wk = 0.0027473 k( 8) = ( 0.0897436 -0.0000000 -0.0000000), wk = 0.0027473 k( 9) = ( 0.1025641 -0.0000000 -0.0000000), wk = 0.0027473 k( 10) = ( 0.1153846 -0.0000000 -0.0000000), wk = 0.0027473 k( 11) = ( 0.1282051 -0.0000000 -0.0000000), wk = 0.0027473 k( 12) = ( 0.1410256 -0.0000000 -0.0000000), wk = 0.0027473 k( 13) = ( 0.1538461 -0.0000000 -0.0000000), wk = 0.0027473 k( 14) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0027473 k( 15) = ( 0.1794872 -0.0000000 -0.0000000), wk = 0.0027473 k( 16) = ( 0.1923077 -0.0000000 -0.0000000), wk = 0.0027473 k( 17) = ( 0.2051282 -0.0000000 -0.0000000), wk = 0.0027473 k( 18) = ( 0.2179487 -0.0000000 -0.0000000), wk = 0.0027473 k( 19) = ( 0.2307692 -0.0000000 -0.0000000), wk = 0.0027473 k( 20) = ( 0.2435897 -0.0000000 -0.0000000), wk = 0.0027473 k( 21) = ( 0.2564103 -0.0000000 -0.0000000), wk = 0.0027473 k( 22) = ( 0.2692308 -0.0000000 -0.0000000), wk = 0.0027473 k( 23) = ( 0.2820513 -0.0000000 -0.0000000), wk = 0.0027473 k( 24) = ( 0.2948718 -0.0000000 -0.0000000), wk = 0.0027473 k( 25) = ( 0.3076923 -0.0000000 -0.0000000), wk = 0.0027473 k( 26) = ( 0.3205128 -0.0000000 -0.0000000), wk = 0.0027473 k( 27) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0027473 k( 28) = ( 0.3461538 -0.0000000 -0.0000000), wk = 0.0027473 k( 29) = ( 0.3589744 -0.0000000 -0.0000000), wk = 0.0027473 k( 30) = ( 0.3717949 -0.0000000 -0.0000000), wk = 0.0027473 k( 31) = ( 0.3846154 -0.0000000 -0.0000000), wk = 0.0027473 k( 32) = ( 0.3974359 -0.0000000 -0.0000000), wk = 0.0027473 k( 33) = ( 0.4102564 -0.0000000 -0.0000000), wk = 0.0027473 k( 34) = ( 0.4230769 -0.0000000 -0.0000000), wk = 0.0027473 k( 35) = ( 0.4358974 -0.0000000 -0.0000000), wk = 0.0027473 k( 36) = ( 0.4487179 -0.0000000 -0.0000000), wk = 0.0027473 k( 37) = ( 0.4615385 -0.0000000 -0.0000000), wk = 0.0027473 k( 38) = ( 0.4743590 -0.0000000 -0.0000000), wk = 0.0027473 k( 39) = ( 0.4871795 -0.0000000 -0.0000000), wk = 0.0027473 k( 40) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0027473 k( 41) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0027473 k( 42) = ( 0.5000000 0.0127053 -0.0000000), wk = 0.0027473 k( 43) = ( 0.5000000 0.0254105 -0.0000000), wk = 0.0027473 k( 44) = ( 0.5000000 0.0381158 -0.0000000), wk = 0.0027473 k( 45) = ( 0.5000000 0.0508211 -0.0000000), wk = 0.0027473 k( 46) = ( 0.5000000 0.0635263 -0.0000000), wk = 0.0027473 k( 47) = ( 0.5000000 0.0762316 -0.0000000), wk = 0.0027473 k( 48) = ( 0.5000000 0.0889369 -0.0000000), wk = 0.0027473 k( 49) = ( 0.5000000 0.1016422 -0.0000000), wk = 0.0027473 k( 50) = ( 0.5000000 0.1143474 -0.0000000), wk = 0.0027473 k( 51) = ( 0.5000000 0.1270527 -0.0000000), wk = 0.0027473 k( 52) = ( 0.5000000 0.1397580 -0.0000000), wk = 0.0027473 k( 53) = ( 0.5000000 0.1524632 -0.0000000), wk = 0.0027473 k( 54) = ( 0.5000000 0.1651685 -0.0000000), wk = 0.0027473 k( 55) = ( 0.5000000 0.1778738 -0.0000000), wk = 0.0027473 k( 56) = ( 0.5000000 0.1905790 -0.0000000), wk = 0.0027473 k( 57) = ( 0.5000000 0.2032843 -0.0000000), wk = 0.0027473 k( 58) = ( 0.5000000 0.2159896 -0.0000000), wk = 0.0027473 k( 59) = ( 0.5000000 0.2286949 -0.0000000), wk = 0.0027473 k( 60) = ( 0.5000000 0.2414001 -0.0000000), wk = 0.0027473 k( 61) = ( 0.5000000 0.2541054 -0.0000000), wk = 0.0027473 k( 62) = ( 0.5000000 0.2668107 -0.0000000), wk = 0.0027473 k( 63) = ( 0.5000000 0.2795159 -0.0000000), wk = 0.0027473 k( 64) = ( 0.5000000 0.2922212 -0.0000000), wk = 0.0027473 k( 65) = ( 0.5000000 0.3049265 -0.0000000), wk = 0.0027473 k( 66) = ( 0.5000000 0.3176318 -0.0000000), wk = 0.0027473 k( 67) = ( 0.5000000 0.3303370 -0.0000000), wk = 0.0027473 k( 68) = ( 0.5000000 0.3430423 -0.0000000), wk = 0.0027473 k( 69) = ( 0.5000000 0.3557476 -0.0000000), wk = 0.0027473 k( 70) = ( 0.5000000 0.3684528 -0.0000000), wk = 0.0027473 k( 71) = ( 0.5000000 0.3811581 -0.0000000), wk = 0.0027473 k( 72) = ( 0.5000000 0.3938634 -0.0000000), wk = 0.0027473 k( 73) = ( 0.5000000 0.3938634 -0.0000000), wk = 0.0027473 k( 74) = ( 0.4871795 0.3938634 -0.0000000), wk = 0.0027473 k( 75) = ( 0.4743590 0.3938634 -0.0000000), wk = 0.0027473 k( 76) = ( 0.4615385 0.3938634 -0.0000000), wk = 0.0027473 k( 77) = ( 0.4487179 0.3938634 -0.0000000), wk = 0.0027473 k( 78) = ( 0.4358974 0.3938634 -0.0000000), wk = 0.0027473 k( 79) = ( 0.4230769 0.3938634 -0.0000000), wk = 0.0027473 k( 80) = ( 0.4102564 0.3938634 -0.0000000), wk = 0.0027473 k( 81) = ( 0.3974359 0.3938634 -0.0000000), wk = 0.0027473 k( 82) = ( 0.3846154 0.3938634 -0.0000000), wk = 0.0027473 k( 83) = ( 0.3717949 0.3938634 -0.0000000), wk = 0.0027473 k( 84) = ( 0.3589744 0.3938634 -0.0000000), wk = 0.0027473 k( 85) = ( 0.3461538 0.3938634 -0.0000000), wk = 0.0027473 k( 86) = ( 0.3333333 0.3938634 -0.0000000), wk = 0.0027473 k( 87) = ( 0.3205128 0.3938634 -0.0000000), wk = 0.0027473 k( 88) = ( 0.3076923 0.3938634 -0.0000000), wk = 0.0027473 k( 89) = ( 0.2948718 0.3938634 -0.0000000), wk = 0.0027473 k( 90) = ( 0.2820513 0.3938634 -0.0000000), wk = 0.0027473 k( 91) = ( 0.2692308 0.3938634 -0.0000000), wk = 0.0027473 k( 92) = ( 0.2564103 0.3938634 -0.0000000), wk = 0.0027473 k( 93) = ( 0.2435897 0.3938634 -0.0000000), wk = 0.0027473 k( 94) = ( 0.2307692 0.3938634 -0.0000000), wk = 0.0027473 k( 95) = ( 0.2179487 0.3938634 -0.0000000), wk = 0.0027473 k( 96) = ( 0.2051282 0.3938634 -0.0000000), wk = 0.0027473 k( 97) = ( 0.1923077 0.3938634 -0.0000000), wk = 0.0027473 k( 98) = ( 0.1794872 0.3938634 -0.0000000), wk = 0.0027473 k( 99) = ( 0.1666667 0.3938634 -0.0000000), wk = 0.0027473 k( 100) = ( 0.1538461 0.3938634 -0.0000000), wk = 0.0027473 k( 101) = ( 0.1410256 0.3938634 -0.0000000), wk = 0.0027473 k( 102) = ( 0.1282051 0.3938634 -0.0000000), wk = 0.0027473 k( 103) = ( 0.1153846 0.3938634 -0.0000000), wk = 0.0027473 k( 104) = ( 0.1025641 0.3938634 -0.0000000), wk = 0.0027473 k( 105) = ( 0.0897436 0.3938634 -0.0000000), wk = 0.0027473 k( 106) = ( 0.0769231 0.3938634 -0.0000000), wk = 0.0027473 k( 107) = ( 0.0641026 0.3938634 -0.0000000), wk = 0.0027473 k( 108) = ( 0.0512821 0.3938634 -0.0000000), wk = 0.0027473 k( 109) = ( 0.0384615 0.3938634 -0.0000000), wk = 0.0027473 k( 110) = ( 0.0256410 0.3938634 -0.0000000), wk = 0.0027473 k( 111) = ( 0.0128205 0.3938634 -0.0000000), wk = 0.0027473 k( 112) = ( 0.0000000 0.3938634 -0.0000000), wk = 0.0027473 k( 113) = ( 0.0000000 0.3938634 -0.0000000), wk = 0.0027473 k( 114) = ( 0.0000000 0.3811581 -0.0000000), wk = 0.0027473 k( 115) = ( 0.0000000 0.3684528 -0.0000000), wk = 0.0027473 k( 116) = ( 0.0000000 0.3557476 -0.0000000), wk = 0.0027473 k( 117) = ( 0.0000000 0.3430423 -0.0000000), wk = 0.0027473 k( 118) = ( 0.0000000 0.3303370 -0.0000000), wk = 0.0027473 k( 119) = ( 0.0000000 0.3176318 -0.0000000), wk = 0.0027473 k( 120) = ( 0.0000000 0.3049265 -0.0000000), wk = 0.0027473 k( 121) = ( 0.0000000 0.2922212 -0.0000000), wk = 0.0027473 k( 122) = ( 0.0000000 0.2795159 -0.0000000), wk = 0.0027473 k( 123) = ( 0.0000000 0.2668107 -0.0000000), wk = 0.0027473 k( 124) = ( 0.0000000 0.2541054 -0.0000000), wk = 0.0027473 k( 125) = ( 0.0000000 0.2414001 -0.0000000), wk = 0.0027473 k( 126) = ( 0.0000000 0.2286949 -0.0000000), wk = 0.0027473 k( 127) = ( 0.0000000 0.2159896 -0.0000000), wk = 0.0027473 k( 128) = ( 0.0000000 0.2032843 -0.0000000), wk = 0.0027473 k( 129) = ( 0.0000000 0.1905790 -0.0000000), wk = 0.0027473 k( 130) = ( 0.0000000 0.1778738 -0.0000000), wk = 0.0027473 k( 131) = ( 0.0000000 0.1651685 -0.0000000), wk = 0.0027473 k( 132) = ( 0.0000000 0.1524632 -0.0000000), wk = 0.0027473 k( 133) = ( 0.0000000 0.1397580 -0.0000000), wk = 0.0027473 k( 134) = ( 0.0000000 0.1270527 -0.0000000), wk = 0.0027473 k( 135) = ( 0.0000000 0.1143474 -0.0000000), wk = 0.0027473 k( 136) = ( 0.0000000 0.1016422 -0.0000000), wk = 0.0027473 k( 137) = ( 0.0000000 0.0889369 -0.0000000), wk = 0.0027473 k( 138) = ( 0.0000000 0.0762316 -0.0000000), wk = 0.0027473 k( 139) = ( 0.0000000 0.0635263 -0.0000000), wk = 0.0027473 k( 140) = ( 0.0000000 0.0508211 -0.0000000), wk = 0.0027473 k( 141) = ( 0.0000000 0.0381158 -0.0000000), wk = 0.0027473 k( 142) = ( 0.0000000 0.0254105 -0.0000000), wk = 0.0027473 k( 143) = ( 0.0000000 0.0127053 -0.0000000), wk = 0.0027473 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 145) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 146) = ( 0.0000000 0.0000000 0.0128486), wk = 0.0027473 k( 147) = ( 0.0000000 0.0000000 0.0256972), wk = 0.0027473 k( 148) = ( 0.0000000 0.0000000 0.0385458), wk = 0.0027473 k( 149) = ( 0.0000000 0.0000000 0.0513944), wk = 0.0027473 k( 150) = ( 0.0000000 0.0000000 0.0642430), wk = 0.0027473 k( 151) = ( 0.0000000 0.0000000 0.0770916), wk = 0.0027473 k( 152) = ( 0.0000000 0.0000000 0.0899402), wk = 0.0027473 k( 153) = ( 0.0000000 0.0000000 0.1027888), wk = 0.0027473 k( 154) = ( 0.0000000 0.0000000 0.1156374), wk = 0.0027473 k( 155) = ( 0.0000000 0.0000000 0.1284860), wk = 0.0027473 k( 156) = ( 0.0000000 0.0000000 0.1413346), wk = 0.0027473 k( 157) = ( 0.0000000 0.0000000 0.1541832), wk = 0.0027473 k( 158) = ( 0.0000000 0.0000000 0.1670318), wk = 0.0027473 k( 159) = ( 0.0000000 0.0000000 0.1798804), wk = 0.0027473 k( 160) = ( 0.0000000 0.0000000 0.1927290), wk = 0.0027473 k( 161) = ( 0.0000000 0.0000000 0.2055776), wk = 0.0027473 k( 162) = ( 0.0000000 0.0000000 0.2184262), wk = 0.0027473 k( 163) = ( 0.0000000 0.0000000 0.2312748), wk = 0.0027473 k( 164) = ( 0.0000000 0.0000000 0.2312748), wk = 0.0027473 k( 165) = ( 0.0128205 -0.0000000 0.2312748), wk = 0.0027473 k( 166) = ( 0.0256410 -0.0000000 0.2312748), wk = 0.0027473 k( 167) = ( 0.0384615 -0.0000000 0.2312748), wk = 0.0027473 k( 168) = ( 0.0512821 -0.0000000 0.2312748), wk = 0.0027473 k( 169) = ( 0.0641026 -0.0000000 0.2312748), wk = 0.0027473 k( 170) = ( 0.0769231 -0.0000000 0.2312748), wk = 0.0027473 k( 171) = ( 0.0897436 -0.0000000 0.2312748), wk = 0.0027473 k( 172) = ( 0.1025641 -0.0000000 0.2312748), wk = 0.0027473 k( 173) = ( 0.1153846 -0.0000000 0.2312748), wk = 0.0027473 k( 174) = ( 0.1282051 -0.0000000 0.2312748), wk = 0.0027473 k( 175) = ( 0.1410256 -0.0000000 0.2312748), wk = 0.0027473 k( 176) = ( 0.1538461 -0.0000000 0.2312748), wk = 0.0027473 k( 177) = ( 0.1666667 -0.0000000 0.2312748), wk = 0.0027473 k( 178) = ( 0.1794872 -0.0000000 0.2312748), wk = 0.0027473 k( 179) = ( 0.1923077 -0.0000000 0.2312748), wk = 0.0027473 k( 180) = ( 0.2051282 -0.0000000 0.2312748), wk = 0.0027473 k( 181) = ( 0.2179487 -0.0000000 0.2312748), wk = 0.0027473 k( 182) = ( 0.2307692 -0.0000000 0.2312748), wk = 0.0027473 k( 183) = ( 0.2435897 -0.0000000 0.2312748), wk = 0.0027473 k( 184) = ( 0.2564103 -0.0000000 0.2312748), wk = 0.0027473 k( 185) = ( 0.2692308 -0.0000000 0.2312748), wk = 0.0027473 k( 186) = ( 0.2820513 -0.0000000 0.2312748), wk = 0.0027473 k( 187) = ( 0.2948718 -0.0000000 0.2312748), wk = 0.0027473 k( 188) = ( 0.3076923 -0.0000000 0.2312748), wk = 0.0027473 k( 189) = ( 0.3205128 -0.0000000 0.2312748), wk = 0.0027473 k( 190) = ( 0.3333333 -0.0000000 0.2312748), wk = 0.0027473 k( 191) = ( 0.3461538 -0.0000000 0.2312748), wk = 0.0027473 k( 192) = ( 0.3589744 -0.0000000 0.2312748), wk = 0.0027473 k( 193) = ( 0.3717949 -0.0000000 0.2312748), wk = 0.0027473 k( 194) = ( 0.3846154 -0.0000000 0.2312748), wk = 0.0027473 k( 195) = ( 0.3974359 -0.0000000 0.2312748), wk = 0.0027473 k( 196) = ( 0.4102564 -0.0000000 0.2312748), wk = 0.0027473 k( 197) = ( 0.4230769 -0.0000000 0.2312748), wk = 0.0027473 k( 198) = ( 0.4358974 -0.0000000 0.2312748), wk = 0.0027473 k( 199) = ( 0.4487179 -0.0000000 0.2312748), wk = 0.0027473 k( 200) = ( 0.4615385 -0.0000000 0.2312748), wk = 0.0027473 k( 201) = ( 0.4743590 -0.0000000 0.2312748), wk = 0.0027473 k( 202) = ( 0.4871795 -0.0000000 0.2312748), wk = 0.0027473 k( 203) = ( 0.5000000 -0.0000000 0.2312748), wk = 0.0027473 k( 204) = ( 0.5000000 -0.0000000 0.2312748), wk = 0.0027473 k( 205) = ( 0.5000000 0.0127053 0.2312748), wk = 0.0027473 k( 206) = ( 0.5000000 0.0254105 0.2312748), wk = 0.0027473 k( 207) = ( 0.5000000 0.0381158 0.2312748), wk = 0.0027473 k( 208) = ( 0.5000000 0.0508211 0.2312748), wk = 0.0027473 k( 209) = ( 0.5000000 0.0635263 0.2312748), wk = 0.0027473 k( 210) = ( 0.5000000 0.0762316 0.2312748), wk = 0.0027473 k( 211) = ( 0.5000000 0.0889369 0.2312748), wk = 0.0027473 k( 212) = ( 0.5000000 0.1016422 0.2312748), wk = 0.0027473 k( 213) = ( 0.5000000 0.1143474 0.2312748), wk = 0.0027473 k( 214) = ( 0.5000000 0.1270527 0.2312748), wk = 0.0027473 k( 215) = ( 0.5000000 0.1397580 0.2312748), wk = 0.0027473 k( 216) = ( 0.5000000 0.1524632 0.2312748), wk = 0.0027473 k( 217) = ( 0.5000000 0.1651685 0.2312748), wk = 0.0027473 k( 218) = ( 0.5000000 0.1778738 0.2312748), wk = 0.0027473 k( 219) = ( 0.5000000 0.1905790 0.2312748), wk = 0.0027473 k( 220) = ( 0.5000000 0.2032843 0.2312748), wk = 0.0027473 k( 221) = ( 0.5000000 0.2159896 0.2312748), wk = 0.0027473 k( 222) = ( 0.5000000 0.2286949 0.2312748), wk = 0.0027473 k( 223) = ( 0.5000000 0.2414001 0.2312748), wk = 0.0027473 k( 224) = ( 0.5000000 0.2541054 0.2312748), wk = 0.0027473 k( 225) = ( 0.5000000 0.2668107 0.2312748), wk = 0.0027473 k( 226) = ( 0.5000000 0.2795159 0.2312748), wk = 0.0027473 k( 227) = ( 0.5000000 0.2922212 0.2312748), wk = 0.0027473 k( 228) = ( 0.5000000 0.3049265 0.2312748), wk = 0.0027473 k( 229) = ( 0.5000000 0.3176318 0.2312748), wk = 0.0027473 k( 230) = ( 0.5000000 0.3303370 0.2312748), wk = 0.0027473 k( 231) = ( 0.5000000 0.3430423 0.2312748), wk = 0.0027473 k( 232) = ( 0.5000000 0.3557476 0.2312748), wk = 0.0027473 k( 233) = ( 0.5000000 0.3684528 0.2312748), wk = 0.0027473 k( 234) = ( 0.5000000 0.3811581 0.2312748), wk = 0.0027473 k( 235) = ( 0.5000000 0.3938634 0.2312748), wk = 0.0027473 k( 236) = ( 0.5000000 0.3938634 0.2312748), wk = 0.0027473 k( 237) = ( 0.4871795 0.3938634 0.2312748), wk = 0.0027473 k( 238) = ( 0.4743590 0.3938634 0.2312748), wk = 0.0027473 k( 239) = ( 0.4615385 0.3938634 0.2312748), wk = 0.0027473 k( 240) = ( 0.4487179 0.3938634 0.2312748), wk = 0.0027473 k( 241) = ( 0.4358974 0.3938634 0.2312748), wk = 0.0027473 k( 242) = ( 0.4230769 0.3938634 0.2312748), wk = 0.0027473 k( 243) = ( 0.4102564 0.3938634 0.2312748), wk = 0.0027473 k( 244) = ( 0.3974359 0.3938634 0.2312748), wk = 0.0027473 k( 245) = ( 0.3846154 0.3938634 0.2312748), wk = 0.0027473 k( 246) = ( 0.3717949 0.3938634 0.2312748), wk = 0.0027473 k( 247) = ( 0.3589744 0.3938634 0.2312748), wk = 0.0027473 k( 248) = ( 0.3461538 0.3938634 0.2312748), wk = 0.0027473 k( 249) = ( 0.3333333 0.3938634 0.2312748), wk = 0.0027473 k( 250) = ( 0.3205128 0.3938634 0.2312748), wk = 0.0027473 k( 251) = ( 0.3076923 0.3938634 0.2312748), wk = 0.0027473 k( 252) = ( 0.2948718 0.3938634 0.2312748), wk = 0.0027473 k( 253) = ( 0.2820513 0.3938634 0.2312748), wk = 0.0027473 k( 254) = ( 0.2692308 0.3938634 0.2312748), wk = 0.0027473 k( 255) = ( 0.2564103 0.3938634 0.2312748), wk = 0.0027473 k( 256) = ( 0.2435897 0.3938634 0.2312748), wk = 0.0027473 k( 257) = ( 0.2307692 0.3938634 0.2312748), wk = 0.0027473 k( 258) = ( 0.2179487 0.3938634 0.2312748), wk = 0.0027473 k( 259) = ( 0.2051282 0.3938634 0.2312748), wk = 0.0027473 k( 260) = ( 0.1923077 0.3938634 0.2312748), wk = 0.0027473 k( 261) = ( 0.1794872 0.3938634 0.2312748), wk = 0.0027473 k( 262) = ( 0.1666667 0.3938634 0.2312748), wk = 0.0027473 k( 263) = ( 0.1538461 0.3938634 0.2312748), wk = 0.0027473 k( 264) = ( 0.1410256 0.3938634 0.2312748), wk = 0.0027473 k( 265) = ( 0.1282051 0.3938634 0.2312748), wk = 0.0027473 k( 266) = ( 0.1153846 0.3938634 0.2312748), wk = 0.0027473 k( 267) = ( 0.1025641 0.3938634 0.2312748), wk = 0.0027473 k( 268) = ( 0.0897436 0.3938634 0.2312748), wk = 0.0027473 k( 269) = ( 0.0769231 0.3938634 0.2312748), wk = 0.0027473 k( 270) = ( 0.0641026 0.3938634 0.2312748), wk = 0.0027473 k( 271) = ( 0.0512821 0.3938634 0.2312748), wk = 0.0027473 k( 272) = ( 0.0384615 0.3938634 0.2312748), wk = 0.0027473 k( 273) = ( 0.0256410 0.3938634 0.2312748), wk = 0.0027473 k( 274) = ( 0.0128205 0.3938634 0.2312748), wk = 0.0027473 k( 275) = ( 0.0000000 0.3938634 0.2312748), wk = 0.0027473 k( 276) = ( 0.0000000 0.3938634 0.2312748), wk = 0.0027473 k( 277) = ( 0.0000000 0.3811581 0.2312748), wk = 0.0027473 k( 278) = ( 0.0000000 0.3684528 0.2312748), wk = 0.0027473 k( 279) = ( 0.0000000 0.3557476 0.2312748), wk = 0.0027473 k( 280) = ( 0.0000000 0.3430423 0.2312748), wk = 0.0027473 k( 281) = ( 0.0000000 0.3303370 0.2312748), wk = 0.0027473 k( 282) = ( 0.0000000 0.3176318 0.2312748), wk = 0.0027473 k( 283) = ( 0.0000000 0.3049265 0.2312748), wk = 0.0027473 k( 284) = ( 0.0000000 0.2922212 0.2312748), wk = 0.0027473 k( 285) = ( 0.0000000 0.2795159 0.2312748), wk = 0.0027473 k( 286) = ( 0.0000000 0.2668107 0.2312748), wk = 0.0027473 k( 287) = ( 0.0000000 0.2541054 0.2312748), wk = 0.0027473 k( 288) = ( 0.0000000 0.2414001 0.2312748), wk = 0.0027473 k( 289) = ( 0.0000000 0.2286949 0.2312748), wk = 0.0027473 k( 290) = ( 0.0000000 0.2159896 0.2312748), wk = 0.0027473 k( 291) = ( 0.0000000 0.2032843 0.2312748), wk = 0.0027473 k( 292) = ( 0.0000000 0.1905790 0.2312748), wk = 0.0027473 k( 293) = ( 0.0000000 0.1778738 0.2312748), wk = 0.0027473 k( 294) = ( 0.0000000 0.1651685 0.2312748), wk = 0.0027473 k( 295) = ( 0.0000000 0.1524632 0.2312748), wk = 0.0027473 k( 296) = ( 0.0000000 0.1397580 0.2312748), wk = 0.0027473 k( 297) = ( 0.0000000 0.1270527 0.2312748), wk = 0.0027473 k( 298) = ( 0.0000000 0.1143474 0.2312748), wk = 0.0027473 k( 299) = ( 0.0000000 0.1016422 0.2312748), wk = 0.0027473 k( 300) = ( 0.0000000 0.0889369 0.2312748), wk = 0.0027473 k( 301) = ( 0.0000000 0.0762316 0.2312748), wk = 0.0027473 k( 302) = ( 0.0000000 0.0635263 0.2312748), wk = 0.0027473 k( 303) = ( 0.0000000 0.0508211 0.2312748), wk = 0.0027473 k( 304) = ( 0.0000000 0.0381158 0.2312748), wk = 0.0027473 k( 305) = ( 0.0000000 0.0254105 0.2312748), wk = 0.0027473 k( 306) = ( 0.0000000 0.0127053 0.2312748), wk = 0.0027473 k( 307) = ( 0.0000000 0.0000000 0.2312748), wk = 0.0027473 k( 308) = ( 0.0000000 0.3938634 -0.0000000), wk = 0.0027473 k( 309) = ( 0.0000000 0.3938634 0.0128486), wk = 0.0027473 k( 310) = ( 0.0000000 0.3938634 0.0256972), wk = 0.0027473 k( 311) = ( 0.0000000 0.3938634 0.0385458), wk = 0.0027473 k( 312) = ( 0.0000000 0.3938634 0.0513944), wk = 0.0027473 k( 313) = ( 0.0000000 0.3938634 0.0642430), wk = 0.0027473 k( 314) = ( 0.0000000 0.3938634 0.0770916), wk = 0.0027473 k( 315) = ( 0.0000000 0.3938634 0.0899402), wk = 0.0027473 k( 316) = ( 0.0000000 0.3938634 0.1027888), wk = 0.0027473 k( 317) = ( 0.0000000 0.3938634 0.1156374), wk = 0.0027473 k( 318) = ( 0.0000000 0.3938634 0.1284860), wk = 0.0027473 k( 319) = ( 0.0000000 0.3938634 0.1413346), wk = 0.0027473 k( 320) = ( 0.0000000 0.3938634 0.1541832), wk = 0.0027473 k( 321) = ( 0.0000000 0.3938634 0.1670318), wk = 0.0027473 k( 322) = ( 0.0000000 0.3938634 0.1798804), wk = 0.0027473 k( 323) = ( 0.0000000 0.3938634 0.1927290), wk = 0.0027473 k( 324) = ( 0.0000000 0.3938634 0.2055776), wk = 0.0027473 k( 325) = ( 0.0000000 0.3938634 0.2184262), wk = 0.0027473 k( 326) = ( 0.0000000 0.3938634 0.2312748), wk = 0.0027473 k( 327) = ( 0.5000000 -0.0000000 0.2312748), wk = 0.0027473 k( 328) = ( 0.5000000 -0.0000000 0.2184262), wk = 0.0027473 k( 329) = ( 0.5000000 -0.0000000 0.2055776), wk = 0.0027473 k( 330) = ( 0.5000000 -0.0000000 0.1927290), wk = 0.0027473 k( 331) = ( 0.5000000 -0.0000000 0.1798804), wk = 0.0027473 k( 332) = ( 0.5000000 -0.0000000 0.1670318), wk = 0.0027473 k( 333) = ( 0.5000000 -0.0000000 0.1541832), wk = 0.0027473 k( 334) = ( 0.5000000 -0.0000000 0.1413346), wk = 0.0027473 k( 335) = ( 0.5000000 -0.0000000 0.1284860), wk = 0.0027473 k( 336) = ( 0.5000000 -0.0000000 0.1156374), wk = 0.0027473 k( 337) = ( 0.5000000 -0.0000000 0.1027888), wk = 0.0027473 k( 338) = ( 0.5000000 -0.0000000 0.0899402), wk = 0.0027473 k( 339) = ( 0.5000000 -0.0000000 0.0770916), wk = 0.0027473 k( 340) = ( 0.5000000 -0.0000000 0.0642430), wk = 0.0027473 k( 341) = ( 0.5000000 -0.0000000 0.0513944), wk = 0.0027473 k( 342) = ( 0.5000000 -0.0000000 0.0385458), wk = 0.0027473 k( 343) = ( 0.5000000 -0.0000000 0.0256972), wk = 0.0027473 k( 344) = ( 0.5000000 -0.0000000 0.0128486), wk = 0.0027473 k( 345) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0027473 k( 346) = ( 0.5000000 0.3938634 -0.0000000), wk = 0.0027473 k( 347) = ( 0.5000000 0.3938634 0.0128486), wk = 0.0027473 k( 348) = ( 0.5000000 0.3938634 0.0256972), wk = 0.0027473 k( 349) = ( 0.5000000 0.3938634 0.0385458), wk = 0.0027473 k( 350) = ( 0.5000000 0.3938634 0.0513944), wk = 0.0027473 k( 351) = ( 0.5000000 0.3938634 0.0642430), wk = 0.0027473 k( 352) = ( 0.5000000 0.3938634 0.0770916), wk = 0.0027473 k( 353) = ( 0.5000000 0.3938634 0.0899402), wk = 0.0027473 k( 354) = ( 0.5000000 0.3938634 0.1027888), wk = 0.0027473 k( 355) = ( 0.5000000 0.3938634 0.1156374), wk = 0.0027473 k( 356) = ( 0.5000000 0.3938634 0.1284860), wk = 0.0027473 k( 357) = ( 0.5000000 0.3938634 0.1413346), wk = 0.0027473 k( 358) = ( 0.5000000 0.3938634 0.1541832), wk = 0.0027473 k( 359) = ( 0.5000000 0.3938634 0.1670318), wk = 0.0027473 k( 360) = ( 0.5000000 0.3938634 0.1798804), wk = 0.0027473 k( 361) = ( 0.5000000 0.3938634 0.1927290), wk = 0.0027473 k( 362) = ( 0.5000000 0.3938634 0.2055776), wk = 0.0027473 k( 363) = ( 0.5000000 0.3938634 0.2184262), wk = 0.0027473 k( 364) = ( 0.5000000 0.3938634 0.2312748), wk = 0.0027473 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 2) = ( 0.0128205 -0.0000000 0.0000000), wk = 0.0027473 k( 3) = ( 0.0256410 0.0000000 0.0000000), wk = 0.0027473 k( 4) = ( 0.0384615 -0.0000000 0.0000000), wk = 0.0027473 k( 5) = ( 0.0512821 -0.0000000 0.0000000), wk = 0.0027473 k( 6) = ( 0.0641026 0.0000000 0.0000000), wk = 0.0027473 k( 7) = ( 0.0769231 -0.0000000 0.0000000), wk = 0.0027473 k( 8) = ( 0.0897436 0.0000000 0.0000000), wk = 0.0027473 k( 9) = ( 0.1025641 -0.0000000 0.0000000), wk = 0.0027473 k( 10) = ( 0.1153846 0.0000000 0.0000000), wk = 0.0027473 k( 11) = ( 0.1282051 -0.0000000 0.0000000), wk = 0.0027473 k( 12) = ( 0.1410256 0.0000000 0.0000000), wk = 0.0027473 k( 13) = ( 0.1538461 -0.0000000 -0.0000000), wk = 0.0027473 k( 14) = ( 0.1666667 -0.0000000 0.0000000), wk = 0.0027473 k( 15) = ( 0.1794872 0.0000000 0.0000000), wk = 0.0027473 k( 16) = ( 0.1923077 0.0000000 0.0000000), wk = 0.0027473 k( 17) = ( 0.2051282 -0.0000000 0.0000000), wk = 0.0027473 k( 18) = ( 0.2179487 0.0000000 0.0000000), wk = 0.0027473 k( 19) = ( 0.2307692 0.0000000 0.0000000), wk = 0.0027473 k( 20) = ( 0.2435897 -0.0000000 0.0000000), wk = 0.0027473 k( 21) = ( 0.2564103 -0.0000000 0.0000000), wk = 0.0027473 k( 22) = ( 0.2692308 -0.0000000 0.0000000), wk = 0.0027473 k( 23) = ( 0.2820513 0.0000000 0.0000000), wk = 0.0027473 k( 24) = ( 0.2948718 -0.0000000 0.0000000), wk = 0.0027473 k( 25) = ( 0.3076923 -0.0000000 0.0000000), wk = 0.0027473 k( 26) = ( 0.3205128 -0.0000000 0.0000000), wk = 0.0027473 k( 27) = ( 0.3333333 -0.0000000 0.0000000), wk = 0.0027473 k( 28) = ( 0.3461538 0.0000000 0.0000000), wk = 0.0027473 k( 29) = ( 0.3589744 0.0000000 0.0000000), wk = 0.0027473 k( 30) = ( 0.3717949 0.0000000 0.0000000), wk = 0.0027473 k( 31) = ( 0.3846154 0.0000000 0.0000000), wk = 0.0027473 k( 32) = ( 0.3974359 0.0000000 0.0000000), wk = 0.0027473 k( 33) = ( 0.4102564 -0.0000000 0.0000000), wk = 0.0027473 k( 34) = ( 0.4230769 -0.0000000 0.0000000), wk = 0.0027473 k( 35) = ( 0.4358974 0.0000000 0.0000000), wk = 0.0027473 k( 36) = ( 0.4487179 -0.0000000 0.0000000), wk = 0.0027473 k( 37) = ( 0.4615385 0.0000000 0.0000000), wk = 0.0027473 k( 38) = ( 0.4743590 0.0000000 0.0000000), wk = 0.0027473 k( 39) = ( 0.4871795 -0.0000000 0.0000000), wk = 0.0027473 k( 40) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027473 k( 41) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027473 k( 42) = ( 0.5000000 0.0161290 0.0000000), wk = 0.0027473 k( 43) = ( 0.5000000 0.0322581 0.0000000), wk = 0.0027473 k( 44) = ( 0.5000000 0.0483871 0.0000000), wk = 0.0027473 k( 45) = ( 0.5000000 0.0645161 0.0000000), wk = 0.0027473 k( 46) = ( 0.5000000 0.0806452 -0.0000000), wk = 0.0027473 k( 47) = ( 0.5000000 0.0967742 0.0000000), wk = 0.0027473 k( 48) = ( 0.5000000 0.1129032 0.0000000), wk = 0.0027473 k( 49) = ( 0.5000000 0.1290323 -0.0000000), wk = 0.0027473 k( 50) = ( 0.5000000 0.1451613 0.0000000), wk = 0.0027473 k( 51) = ( 0.5000000 0.1612903 0.0000000), wk = 0.0027473 k( 52) = ( 0.5000000 0.1774194 -0.0000000), wk = 0.0027473 k( 53) = ( 0.5000000 0.1935484 0.0000000), wk = 0.0027473 k( 54) = ( 0.5000000 0.2096774 0.0000000), wk = 0.0027473 k( 55) = ( 0.5000000 0.2258064 0.0000000), wk = 0.0027473 k( 56) = ( 0.5000000 0.2419355 0.0000000), wk = 0.0027473 k( 57) = ( 0.5000000 0.2580645 0.0000000), wk = 0.0027473 k( 58) = ( 0.5000000 0.2741936 0.0000000), wk = 0.0027473 k( 59) = ( 0.5000000 0.2903226 -0.0000000), wk = 0.0027473 k( 60) = ( 0.5000000 0.3064516 0.0000000), wk = 0.0027473 k( 61) = ( 0.5000000 0.3225807 -0.0000000), wk = 0.0027473 k( 62) = ( 0.5000000 0.3387097 0.0000000), wk = 0.0027473 k( 63) = ( 0.5000000 0.3548387 0.0000000), wk = 0.0027473 k( 64) = ( 0.5000000 0.3709677 -0.0000000), wk = 0.0027473 k( 65) = ( 0.5000000 0.3870968 0.0000000), wk = 0.0027473 k( 66) = ( 0.5000000 0.4032258 0.0000000), wk = 0.0027473 k( 67) = ( 0.5000000 0.4193548 0.0000000), wk = 0.0027473 k( 68) = ( 0.5000000 0.4354839 0.0000000), wk = 0.0027473 k( 69) = ( 0.5000000 0.4516129 0.0000000), wk = 0.0027473 k( 70) = ( 0.5000000 0.4677419 0.0000000), wk = 0.0027473 k( 71) = ( 0.5000000 0.4838710 -0.0000000), wk = 0.0027473 k( 72) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027473 k( 73) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027473 k( 74) = ( 0.4871795 0.5000000 0.0000000), wk = 0.0027473 k( 75) = ( 0.4743590 0.5000000 0.0000000), wk = 0.0027473 k( 76) = ( 0.4615385 0.5000000 -0.0000000), wk = 0.0027473 k( 77) = ( 0.4487179 0.5000000 0.0000000), wk = 0.0027473 k( 78) = ( 0.4358974 0.5000000 0.0000000), wk = 0.0027473 k( 79) = ( 0.4230769 0.5000000 0.0000000), wk = 0.0027473 k( 80) = ( 0.4102564 0.5000000 0.0000000), wk = 0.0027473 k( 81) = ( 0.3974359 0.5000000 0.0000000), wk = 0.0027473 k( 82) = ( 0.3846154 0.5000000 -0.0000000), wk = 0.0027473 k( 83) = ( 0.3717949 0.5000000 -0.0000000), wk = 0.0027473 k( 84) = ( 0.3589744 0.5000000 0.0000000), wk = 0.0027473 k( 85) = ( 0.3461538 0.5000000 -0.0000000), wk = 0.0027473 k( 86) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0027473 k( 87) = ( 0.3205128 0.5000000 -0.0000000), wk = 0.0027473 k( 88) = ( 0.3076923 0.5000000 0.0000000), wk = 0.0027473 k( 89) = ( 0.2948718 0.5000000 -0.0000000), wk = 0.0027473 k( 90) = ( 0.2820513 0.5000000 0.0000000), wk = 0.0027473 k( 91) = ( 0.2692308 0.5000000 -0.0000000), wk = 0.0027473 k( 92) = ( 0.2564103 0.5000000 0.0000000), wk = 0.0027473 k( 93) = ( 0.2435897 0.5000000 -0.0000000), wk = 0.0027473 k( 94) = ( 0.2307692 0.5000000 0.0000000), wk = 0.0027473 k( 95) = ( 0.2179487 0.5000000 0.0000000), wk = 0.0027473 k( 96) = ( 0.2051282 0.5000000 0.0000000), wk = 0.0027473 k( 97) = ( 0.1923077 0.5000000 -0.0000000), wk = 0.0027473 k( 98) = ( 0.1794872 0.5000000 -0.0000000), wk = 0.0027473 k( 99) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0027473 k( 100) = ( 0.1538461 0.5000000 -0.0000000), wk = 0.0027473 k( 101) = ( 0.1410256 0.5000000 0.0000000), wk = 0.0027473 k( 102) = ( 0.1282051 0.5000000 0.0000000), wk = 0.0027473 k( 103) = ( 0.1153846 0.5000000 -0.0000000), wk = 0.0027473 k( 104) = ( 0.1025641 0.5000000 0.0000000), wk = 0.0027473 k( 105) = ( 0.0897436 0.5000000 0.0000000), wk = 0.0027473 k( 106) = ( 0.0769231 0.5000000 0.0000000), wk = 0.0027473 k( 107) = ( 0.0641026 0.5000000 0.0000000), wk = 0.0027473 k( 108) = ( 0.0512821 0.5000000 0.0000000), wk = 0.0027473 k( 109) = ( 0.0384615 0.5000000 0.0000000), wk = 0.0027473 k( 110) = ( 0.0256410 0.5000000 0.0000000), wk = 0.0027473 k( 111) = ( 0.0128205 0.5000000 -0.0000000), wk = 0.0027473 k( 112) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027473 k( 113) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027473 k( 114) = ( 0.0000000 0.4838710 -0.0000000), wk = 0.0027473 k( 115) = ( 0.0000000 0.4677419 -0.0000000), wk = 0.0027473 k( 116) = ( 0.0000000 0.4516129 0.0000000), wk = 0.0027473 k( 117) = ( 0.0000000 0.4354839 0.0000000), wk = 0.0027473 k( 118) = ( 0.0000000 0.4193548 0.0000000), wk = 0.0027473 k( 119) = ( 0.0000000 0.4032258 0.0000000), wk = 0.0027473 k( 120) = ( 0.0000000 0.3870968 0.0000000), wk = 0.0027473 k( 121) = ( 0.0000000 0.3709677 -0.0000000), wk = 0.0027473 k( 122) = ( 0.0000000 0.3548387 -0.0000000), wk = 0.0027473 k( 123) = ( 0.0000000 0.3387097 -0.0000000), wk = 0.0027473 k( 124) = ( 0.0000000 0.3225807 -0.0000000), wk = 0.0027473 k( 125) = ( 0.0000000 0.3064516 -0.0000000), wk = 0.0027473 k( 126) = ( 0.0000000 0.2903226 -0.0000000), wk = 0.0027473 k( 127) = ( 0.0000000 0.2741936 0.0000000), wk = 0.0027473 k( 128) = ( 0.0000000 0.2580645 0.0000000), wk = 0.0027473 k( 129) = ( 0.0000000 0.2419355 0.0000000), wk = 0.0027473 k( 130) = ( 0.0000000 0.2258065 0.0000000), wk = 0.0027473 k( 131) = ( 0.0000000 0.2096774 0.0000000), wk = 0.0027473 k( 132) = ( 0.0000000 0.1935484 0.0000000), wk = 0.0027473 k( 133) = ( 0.0000000 0.1774194 0.0000000), wk = 0.0027473 k( 134) = ( 0.0000000 0.1612903 -0.0000000), wk = 0.0027473 k( 135) = ( 0.0000000 0.1451613 -0.0000000), wk = 0.0027473 k( 136) = ( 0.0000000 0.1290323 0.0000000), wk = 0.0027473 k( 137) = ( 0.0000000 0.1129032 0.0000000), wk = 0.0027473 k( 138) = ( 0.0000000 0.0967742 0.0000000), wk = 0.0027473 k( 139) = ( 0.0000000 0.0806452 -0.0000000), wk = 0.0027473 k( 140) = ( 0.0000000 0.0645161 0.0000000), wk = 0.0027473 k( 141) = ( 0.0000000 0.0483871 -0.0000000), wk = 0.0027473 k( 142) = ( 0.0000000 0.0322581 0.0000000), wk = 0.0027473 k( 143) = ( 0.0000000 0.0161290 0.0000000), wk = 0.0027473 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 145) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 146) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0027473 k( 147) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0027473 k( 148) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0027473 k( 149) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0027473 k( 150) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0027473 k( 151) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0027473 k( 152) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0027473 k( 153) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0027473 k( 154) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0027473 k( 155) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0027473 k( 156) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0027473 k( 157) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0027473 k( 158) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0027473 k( 159) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0027473 k( 160) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0027473 k( 161) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0027473 k( 162) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0027473 k( 163) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027473 k( 164) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027473 k( 165) = ( 0.0128205 -0.0000000 0.5000000), wk = 0.0027473 k( 166) = ( 0.0256410 0.0000000 0.5000000), wk = 0.0027473 k( 167) = ( 0.0384615 -0.0000000 0.5000000), wk = 0.0027473 k( 168) = ( 0.0512821 -0.0000000 0.5000000), wk = 0.0027473 k( 169) = ( 0.0641026 0.0000000 0.5000000), wk = 0.0027473 k( 170) = ( 0.0769231 -0.0000000 0.5000000), wk = 0.0027473 k( 171) = ( 0.0897436 0.0000000 0.5000000), wk = 0.0027473 k( 172) = ( 0.1025641 -0.0000000 0.5000000), wk = 0.0027473 k( 173) = ( 0.1153846 0.0000000 0.5000000), wk = 0.0027473 k( 174) = ( 0.1282051 -0.0000000 0.5000000), wk = 0.0027473 k( 175) = ( 0.1410256 0.0000000 0.5000000), wk = 0.0027473 k( 176) = ( 0.1538461 -0.0000000 0.5000000), wk = 0.0027473 k( 177) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0027473 k( 178) = ( 0.1794872 0.0000000 0.5000000), wk = 0.0027473 k( 179) = ( 0.1923077 0.0000000 0.5000000), wk = 0.0027473 k( 180) = ( 0.2051282 -0.0000000 0.5000000), wk = 0.0027473 k( 181) = ( 0.2179487 0.0000000 0.5000000), wk = 0.0027473 k( 182) = ( 0.2307692 0.0000000 0.5000000), wk = 0.0027473 k( 183) = ( 0.2435897 -0.0000000 0.5000000), wk = 0.0027473 k( 184) = ( 0.2564103 -0.0000000 0.5000000), wk = 0.0027473 k( 185) = ( 0.2692308 -0.0000000 0.5000000), wk = 0.0027473 k( 186) = ( 0.2820513 0.0000000 0.5000000), wk = 0.0027473 k( 187) = ( 0.2948718 -0.0000000 0.5000000), wk = 0.0027473 k( 188) = ( 0.3076923 -0.0000000 0.5000000), wk = 0.0027473 k( 189) = ( 0.3205128 -0.0000000 0.5000000), wk = 0.0027473 k( 190) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0027473 k( 191) = ( 0.3461538 0.0000000 0.5000000), wk = 0.0027473 k( 192) = ( 0.3589744 0.0000000 0.5000000), wk = 0.0027473 k( 193) = ( 0.3717949 0.0000000 0.5000000), wk = 0.0027473 k( 194) = ( 0.3846154 0.0000000 0.5000000), wk = 0.0027473 k( 195) = ( 0.3974359 0.0000000 0.5000000), wk = 0.0027473 k( 196) = ( 0.4102564 -0.0000000 0.5000000), wk = 0.0027473 k( 197) = ( 0.4230769 -0.0000000 0.5000000), wk = 0.0027473 k( 198) = ( 0.4358974 0.0000000 0.5000000), wk = 0.0027473 k( 199) = ( 0.4487179 -0.0000000 0.5000000), wk = 0.0027473 k( 200) = ( 0.4615385 0.0000000 0.5000000), wk = 0.0027473 k( 201) = ( 0.4743590 0.0000000 0.5000000), wk = 0.0027473 k( 202) = ( 0.4871795 -0.0000000 0.5000000), wk = 0.0027473 k( 203) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027473 k( 204) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027473 k( 205) = ( 0.5000000 0.0161290 0.5000000), wk = 0.0027473 k( 206) = ( 0.5000000 0.0322581 0.5000000), wk = 0.0027473 k( 207) = ( 0.5000000 0.0483871 0.5000000), wk = 0.0027473 k( 208) = ( 0.5000000 0.0645161 0.5000000), wk = 0.0027473 k( 209) = ( 0.5000000 0.0806452 0.5000000), wk = 0.0027473 k( 210) = ( 0.5000000 0.0967742 0.5000000), wk = 0.0027473 k( 211) = ( 0.5000000 0.1129032 0.5000000), wk = 0.0027473 k( 212) = ( 0.5000000 0.1290323 0.5000000), wk = 0.0027473 k( 213) = ( 0.5000000 0.1451613 0.5000000), wk = 0.0027473 k( 214) = ( 0.5000000 0.1612903 0.5000000), wk = 0.0027473 k( 215) = ( 0.5000000 0.1774194 0.5000000), wk = 0.0027473 k( 216) = ( 0.5000000 0.1935484 0.5000000), wk = 0.0027473 k( 217) = ( 0.5000000 0.2096774 0.5000000), wk = 0.0027473 k( 218) = ( 0.5000000 0.2258064 0.5000000), wk = 0.0027473 k( 219) = ( 0.5000000 0.2419355 0.5000000), wk = 0.0027473 k( 220) = ( 0.5000000 0.2580645 0.5000000), wk = 0.0027473 k( 221) = ( 0.5000000 0.2741936 0.5000000), wk = 0.0027473 k( 222) = ( 0.5000000 0.2903226 0.5000000), wk = 0.0027473 k( 223) = ( 0.5000000 0.3064516 0.5000000), wk = 0.0027473 k( 224) = ( 0.5000000 0.3225807 0.5000000), wk = 0.0027473 k( 225) = ( 0.5000000 0.3387097 0.5000000), wk = 0.0027473 k( 226) = ( 0.5000000 0.3548387 0.5000000), wk = 0.0027473 k( 227) = ( 0.5000000 0.3709677 0.5000000), wk = 0.0027473 k( 228) = ( 0.5000000 0.3870968 0.5000000), wk = 0.0027473 k( 229) = ( 0.5000000 0.4032258 0.5000000), wk = 0.0027473 k( 230) = ( 0.5000000 0.4193548 0.5000000), wk = 0.0027473 k( 231) = ( 0.5000000 0.4354839 0.5000000), wk = 0.0027473 k( 232) = ( 0.5000000 0.4516129 0.5000000), wk = 0.0027473 k( 233) = ( 0.5000000 0.4677419 0.5000000), wk = 0.0027473 k( 234) = ( 0.5000000 0.4838710 0.5000000), wk = 0.0027473 k( 235) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027473 k( 236) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027473 k( 237) = ( 0.4871795 0.5000000 0.5000000), wk = 0.0027473 k( 238) = ( 0.4743590 0.5000000 0.5000000), wk = 0.0027473 k( 239) = ( 0.4615385 0.5000000 0.5000000), wk = 0.0027473 k( 240) = ( 0.4487179 0.5000000 0.5000000), wk = 0.0027473 k( 241) = ( 0.4358974 0.5000000 0.5000000), wk = 0.0027473 k( 242) = ( 0.4230769 0.5000000 0.5000000), wk = 0.0027473 k( 243) = ( 0.4102564 0.5000000 0.5000000), wk = 0.0027473 k( 244) = ( 0.3974359 0.5000000 0.5000000), wk = 0.0027473 k( 245) = ( 0.3846154 0.5000000 0.5000000), wk = 0.0027473 k( 246) = ( 0.3717949 0.5000000 0.5000000), wk = 0.0027473 k( 247) = ( 0.3589744 0.5000000 0.5000000), wk = 0.0027473 k( 248) = ( 0.3461538 0.5000000 0.5000000), wk = 0.0027473 k( 249) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0027473 k( 250) = ( 0.3205128 0.5000000 0.5000000), wk = 0.0027473 k( 251) = ( 0.3076923 0.5000000 0.5000000), wk = 0.0027473 k( 252) = ( 0.2948718 0.5000000 0.5000000), wk = 0.0027473 k( 253) = ( 0.2820513 0.5000000 0.5000000), wk = 0.0027473 k( 254) = ( 0.2692308 0.5000000 0.5000000), wk = 0.0027473 k( 255) = ( 0.2564103 0.5000000 0.5000000), wk = 0.0027473 k( 256) = ( 0.2435897 0.5000000 0.5000000), wk = 0.0027473 k( 257) = ( 0.2307692 0.5000000 0.5000000), wk = 0.0027473 k( 258) = ( 0.2179487 0.5000000 0.5000000), wk = 0.0027473 k( 259) = ( 0.2051282 0.5000000 0.5000000), wk = 0.0027473 k( 260) = ( 0.1923077 0.5000000 0.5000000), wk = 0.0027473 k( 261) = ( 0.1794872 0.5000000 0.5000000), wk = 0.0027473 k( 262) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0027473 k( 263) = ( 0.1538461 0.5000000 0.5000000), wk = 0.0027473 k( 264) = ( 0.1410256 0.5000000 0.5000000), wk = 0.0027473 k( 265) = ( 0.1282051 0.5000000 0.5000000), wk = 0.0027473 k( 266) = ( 0.1153846 0.5000000 0.5000000), wk = 0.0027473 k( 267) = ( 0.1025641 0.5000000 0.5000000), wk = 0.0027473 k( 268) = ( 0.0897436 0.5000000 0.5000000), wk = 0.0027473 k( 269) = ( 0.0769231 0.5000000 0.5000000), wk = 0.0027473 k( 270) = ( 0.0641026 0.5000000 0.5000000), wk = 0.0027473 k( 271) = ( 0.0512821 0.5000000 0.5000000), wk = 0.0027473 k( 272) = ( 0.0384615 0.5000000 0.5000000), wk = 0.0027473 k( 273) = ( 0.0256410 0.5000000 0.5000000), wk = 0.0027473 k( 274) = ( 0.0128205 0.5000000 0.5000000), wk = 0.0027473 k( 275) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027473 k( 276) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027473 k( 277) = ( 0.0000000 0.4838710 0.5000000), wk = 0.0027473 k( 278) = ( 0.0000000 0.4677419 0.5000000), wk = 0.0027473 k( 279) = ( 0.0000000 0.4516129 0.5000000), wk = 0.0027473 k( 280) = ( 0.0000000 0.4354839 0.5000000), wk = 0.0027473 k( 281) = ( 0.0000000 0.4193548 0.5000000), wk = 0.0027473 k( 282) = ( 0.0000000 0.4032258 0.5000000), wk = 0.0027473 k( 283) = ( 0.0000000 0.3870968 0.5000000), wk = 0.0027473 k( 284) = ( 0.0000000 0.3709677 0.5000000), wk = 0.0027473 k( 285) = ( 0.0000000 0.3548387 0.5000000), wk = 0.0027473 k( 286) = ( 0.0000000 0.3387097 0.5000000), wk = 0.0027473 k( 287) = ( 0.0000000 0.3225807 0.5000000), wk = 0.0027473 k( 288) = ( 0.0000000 0.3064516 0.5000000), wk = 0.0027473 k( 289) = ( 0.0000000 0.2903226 0.5000000), wk = 0.0027473 k( 290) = ( 0.0000000 0.2741936 0.5000000), wk = 0.0027473 k( 291) = ( 0.0000000 0.2580645 0.5000000), wk = 0.0027473 k( 292) = ( 0.0000000 0.2419355 0.5000000), wk = 0.0027473 k( 293) = ( 0.0000000 0.2258065 0.5000000), wk = 0.0027473 k( 294) = ( 0.0000000 0.2096774 0.5000000), wk = 0.0027473 k( 295) = ( 0.0000000 0.1935484 0.5000000), wk = 0.0027473 k( 296) = ( 0.0000000 0.1774194 0.5000000), wk = 0.0027473 k( 297) = ( 0.0000000 0.1612903 0.5000000), wk = 0.0027473 k( 298) = ( 0.0000000 0.1451613 0.5000000), wk = 0.0027473 k( 299) = ( 0.0000000 0.1290323 0.5000000), wk = 0.0027473 k( 300) = ( 0.0000000 0.1129032 0.5000000), wk = 0.0027473 k( 301) = ( 0.0000000 0.0967742 0.5000000), wk = 0.0027473 k( 302) = ( 0.0000000 0.0806452 0.5000000), wk = 0.0027473 k( 303) = ( 0.0000000 0.0645161 0.5000000), wk = 0.0027473 k( 304) = ( 0.0000000 0.0483871 0.5000000), wk = 0.0027473 k( 305) = ( 0.0000000 0.0322581 0.5000000), wk = 0.0027473 k( 306) = ( 0.0000000 0.0161290 0.5000000), wk = 0.0027473 k( 307) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027473 k( 308) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027473 k( 309) = ( 0.0000000 0.5000000 0.0277778), wk = 0.0027473 k( 310) = ( 0.0000000 0.5000000 0.0555556), wk = 0.0027473 k( 311) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0027473 k( 312) = ( 0.0000000 0.5000000 0.1111111), wk = 0.0027473 k( 313) = ( 0.0000000 0.5000000 0.1388889), wk = 0.0027473 k( 314) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0027473 k( 315) = ( 0.0000000 0.5000000 0.1944444), wk = 0.0027473 k( 316) = ( 0.0000000 0.5000000 0.2222222), wk = 0.0027473 k( 317) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0027473 k( 318) = ( 0.0000000 0.5000000 0.2777778), wk = 0.0027473 k( 319) = ( 0.0000000 0.5000000 0.3055556), wk = 0.0027473 k( 320) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0027473 k( 321) = ( 0.0000000 0.5000000 0.3611111), wk = 0.0027473 k( 322) = ( 0.0000000 0.5000000 0.3888889), wk = 0.0027473 k( 323) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0027473 k( 324) = ( 0.0000000 0.5000000 0.4444444), wk = 0.0027473 k( 325) = ( 0.0000000 0.5000000 0.4722222), wk = 0.0027473 k( 326) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027473 k( 327) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027473 k( 328) = ( 0.5000000 0.0000000 0.4722222), wk = 0.0027473 k( 329) = ( 0.5000000 0.0000000 0.4444444), wk = 0.0027473 k( 330) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0027473 k( 331) = ( 0.5000000 0.0000000 0.3888889), wk = 0.0027473 k( 332) = ( 0.5000000 0.0000000 0.3611111), wk = 0.0027473 k( 333) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0027473 k( 334) = ( 0.5000000 0.0000000 0.3055556), wk = 0.0027473 k( 335) = ( 0.5000000 0.0000000 0.2777778), wk = 0.0027473 k( 336) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0027473 k( 337) = ( 0.5000000 0.0000000 0.2222222), wk = 0.0027473 k( 338) = ( 0.5000000 0.0000000 0.1944444), wk = 0.0027473 k( 339) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0027473 k( 340) = ( 0.5000000 0.0000000 0.1388889), wk = 0.0027473 k( 341) = ( 0.5000000 0.0000000 0.1111111), wk = 0.0027473 k( 342) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0027473 k( 343) = ( 0.5000000 0.0000000 0.0555556), wk = 0.0027473 k( 344) = ( 0.5000000 0.0000000 0.0277778), wk = 0.0027473 k( 345) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027473 k( 346) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027473 k( 347) = ( 0.5000000 0.5000000 0.0277778), wk = 0.0027473 k( 348) = ( 0.5000000 0.5000000 0.0555556), wk = 0.0027473 k( 349) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0027473 k( 350) = ( 0.5000000 0.5000000 0.1111111), wk = 0.0027473 k( 351) = ( 0.5000000 0.5000000 0.1388889), wk = 0.0027473 k( 352) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0027473 k( 353) = ( 0.5000000 0.5000000 0.1944444), wk = 0.0027473 k( 354) = ( 0.5000000 0.5000000 0.2222222), wk = 0.0027473 k( 355) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0027473 k( 356) = ( 0.5000000 0.5000000 0.2777778), wk = 0.0027473 k( 357) = ( 0.5000000 0.5000000 0.3055556), wk = 0.0027473 k( 358) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0027473 k( 359) = ( 0.5000000 0.5000000 0.3611111), wk = 0.0027473 k( 360) = ( 0.5000000 0.5000000 0.3888889), wk = 0.0027473 k( 361) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0027473 k( 362) = ( 0.5000000 0.5000000 0.4444444), wk = 0.0027473 k( 363) = ( 0.5000000 0.5000000 0.4722222), wk = 0.0027473 k( 364) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027473 Dense grid: 124011 G-vectors FFT dimensions: ( 45, 60, 96) Smooth grid: 60113 G-vectors FFT dimensions: ( 36, 45, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.52 Mb ( 448, 76) NL pseudopotentials 0.57 Mb ( 224, 168) Each V/rho on FFT grid 0.12 Mb ( 8100) Each G-vector array 0.03 Mb ( 3445) G-vector shells 0.01 Mb ( 1748) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.08 Mb ( 448, 304) Each subspace H/S matrix 0.09 Mb ( 76, 76) Each matrix 0.39 Mb ( 168, 2, 76) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./KH4O2F.save/charge-density.dat Starting wfc are 96 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.4 secs Computing kpt #: 2 total cpu time spent up to now is 4.8 secs Computing kpt #: 3 total cpu time spent up to now is 6.2 secs Computing kpt #: 4 total cpu time spent up to now is 7.5 secs Computing kpt #: 5 total cpu time spent up to now is 8.8 secs Computing kpt #: 6 total cpu time spent up to now is 10.2 secs Computing kpt #: 7 total cpu time spent up to now is 11.6 secs Computing kpt #: 8 total cpu time spent up to now is 13.0 secs Computing kpt #: 9 total cpu time spent up to now is 14.3 secs Computing kpt #: 10 total cpu time spent up to now is 15.7 secs Computing kpt #: 11 total cpu time spent up to now is 17.0 secs Computing kpt #: 12 total cpu time spent up to now is 18.3 secs Computing kpt #: 13 total cpu time spent up to now is 19.6 secs Computing kpt #: 14 total cpu time spent up to now is 20.9 secs Computing kpt #: 15 total cpu time spent up to now is 22.1 secs Computing kpt #: 16 total cpu time spent up to now is 23.4 secs Computing kpt #: 17 total cpu time spent up to now is 24.7 secs Computing kpt #: 18 total cpu time spent up to now is 25.9 secs Computing kpt #: 19 total cpu time spent up to now is 27.3 secs Computing kpt #: 20 total cpu time spent up to now is 28.6 secs Computing kpt #: 21 total cpu time spent up to now is 30.0 secs Computing kpt #: 22 total cpu time spent up to now is 31.4 secs Computing kpt #: 23 total cpu time spent up to now is 32.8 secs Computing kpt #: 24 total cpu time spent up to now is 34.2 secs Computing kpt #: 25 total cpu time spent up to now is 35.6 secs Computing kpt #: 26 total cpu time spent up to now is 37.0 secs Computing kpt #: 27 total cpu time spent up to now is 38.3 secs Computing kpt #: 28 total cpu time spent up to now is 39.7 secs Computing kpt #: 29 total cpu time spent up to now is 41.1 secs Computing kpt #: 30 total cpu time spent up to now is 42.5 secs Computing kpt #: 31 total cpu time spent up to now is 43.9 secs Computing kpt #: 32 total cpu time spent up to now is 45.2 secs Computing kpt #: 33 total cpu time spent up to now is 46.6 secs Computing kpt #: 34 total cpu time spent up to now is 48.0 secs Computing kpt #: 35 total cpu time spent up to now is 49.5 secs Computing kpt #: 36 total cpu time spent up to now is 51.0 secs Computing kpt #: 37 total cpu time spent up to now is 52.4 secs Computing kpt #: 38 total cpu time spent up to now is 53.8 secs Computing kpt #: 39 total cpu time spent up to now is 55.3 secs Computing kpt #: 40 total cpu time spent up to now is 56.7 secs Computing kpt #: 41 total cpu time spent up to now is 58.1 secs Computing kpt #: 42 total cpu time spent up to now is 59.5 secs Computing kpt #: 43 total cpu time spent up to now is 60.9 secs Computing kpt #: 44 total cpu time spent up to now is 62.3 secs Computing kpt #: 45 total cpu time spent up to now is 63.7 secs Computing kpt #: 46 total cpu time spent up to now is 65.0 secs Computing kpt #: 47 total cpu time spent up to now is 66.4 secs Computing kpt #: 48 total cpu time spent up to now is 67.8 secs Computing kpt #: 49 total cpu time spent up to now is 69.2 secs Computing kpt #: 50 total cpu time spent up to now is 70.7 secs Computing kpt #: 51 total cpu time spent up to now is 72.1 secs Computing kpt #: 52 total cpu time spent up to now is 73.5 secs Computing kpt #: 53 total cpu time spent up to now is 75.0 secs Computing kpt #: 54 total cpu time spent up to now is 76.8 secs Computing kpt #: 55 total cpu time spent up to now is 78.3 secs Computing kpt #: 56 total cpu time spent up to now is 79.9 secs Computing kpt #: 57 total cpu time spent up to now is 81.4 secs Computing kpt #: 58 total cpu time spent up to now is 83.7 secs Computing kpt #: 59 total cpu time spent up to now is 85.1 secs Computing kpt #: 60 total cpu time spent up to now is 86.5 secs Computing kpt #: 61 total cpu time spent up to now is 87.9 secs Computing kpt #: 62 total cpu time spent up to now is 89.3 secs Computing kpt #: 63 total cpu time spent up to now is 90.8 secs Computing kpt #: 64 total cpu time spent up to now is 92.2 secs Computing kpt #: 65 total cpu time spent up to now is 93.7 secs Computing kpt #: 66 total cpu time spent up to now is 95.1 secs Computing kpt #: 67 total cpu time spent up to now is 96.6 secs Computing kpt #: 68 total cpu time spent up to now is 97.9 secs Computing kpt #: 69 total cpu time spent up to now is 99.3 secs Computing kpt #: 70 total cpu time spent up to now is 100.6 secs Computing kpt #: 71 total cpu time spent up to now is 102.1 secs Computing kpt #: 72 total cpu time spent up to now is 103.5 secs Computing kpt #: 73 total cpu time spent up to now is 104.9 secs Computing kpt #: 74 total cpu time spent up to now is 106.4 secs Computing kpt #: 75 total cpu time spent up to now is 107.8 secs Computing kpt #: 76 total cpu time spent up to now is 109.2 secs Computing kpt #: 77 total cpu time spent up to now is 110.7 secs Computing kpt #: 78 total cpu time spent up to now is 112.2 secs Computing kpt #: 79 total cpu time spent up to now is 113.7 secs Computing kpt #: 80 total cpu time spent up to now is 115.2 secs Computing kpt #: 81 total cpu time spent up to now is 116.8 secs Computing kpt #: 82 total cpu time spent up to now is 118.3 secs Computing kpt #: 83 total cpu time spent up to now is 119.8 secs Computing kpt #: 84 total cpu time spent up to now is 121.3 secs Computing kpt #: 85 total cpu time spent up to now is 122.8 secs Computing kpt #: 86 total cpu time spent up to now is 124.3 secs Computing kpt #: 87 total cpu time spent up to now is 125.9 secs Computing kpt #: 88 total cpu time spent up to now is 127.4 secs Computing kpt #: 89 total cpu time spent up to now is 129.0 secs Computing kpt #: 90 total cpu time spent up to now is 130.8 secs Computing kpt #: 91 total cpu time spent up to now is 132.4 secs Computing kpt #: 92 total cpu time spent up to now is 133.9 secs Computing kpt #: 93 total cpu time spent up to now is 135.6 secs Computing kpt #: 94 total cpu time spent up to now is 137.2 secs Computing kpt #: 95 total cpu time spent up to now is 138.6 secs Computing kpt #: 96 total cpu time spent up to now is 140.0 secs Computing kpt #: 97 total cpu time spent up to now is 141.3 secs Computing kpt #: 98 total cpu time spent up to now is 142.7 secs Computing kpt #: 99 total cpu time spent up to now is 144.1 secs Computing kpt #: 100 total cpu time spent up to now is 145.5 secs Computing kpt #: 101 total cpu time spent up to now is 146.9 secs Computing kpt #: 102 total cpu time spent up to now is 148.2 secs Computing kpt #: 103 total cpu time spent up to now is 149.6 secs Computing kpt #: 104 total cpu time spent up to now is 150.9 secs Computing kpt #: 105 total cpu time spent up to now is 152.2 secs Computing kpt #: 106 total cpu time spent up to now is 153.4 secs Computing kpt #: 107 total cpu time spent up to now is 154.6 secs Computing kpt #: 108 total cpu time spent up to now is 155.8 secs Computing kpt #: 109 total cpu time spent up to now is 157.1 secs Computing kpt #: 110 total cpu time spent up to now is 158.3 secs Computing kpt #: 111 total cpu time spent up to now is 159.5 secs Computing kpt #: 112 total cpu time spent up to now is 160.7 secs Computing kpt #: 113 total cpu time spent up to now is 161.9 secs Computing kpt #: 114 total cpu time spent up to now is 163.1 secs Computing kpt #: 115 total cpu time spent up to now is 164.3 secs Computing kpt #: 116 total cpu time spent up to now is 165.6 secs Computing kpt #: 117 total cpu time spent up to now is 166.7 secs Computing kpt #: 118 total cpu time spent up to now is 168.1 secs Computing kpt #: 119 total cpu time spent up to now is 169.4 secs Computing kpt #: 120 total cpu time spent up to now is 170.6 secs Computing kpt #: 121 total cpu time spent up to now is 171.9 secs Computing kpt #: 122 total cpu time spent up to now is 173.3 secs Computing kpt #: 123 total cpu time spent up to now is 174.7 secs Computing kpt #: 124 total cpu time spent up to now is 175.9 secs Computing kpt #: 125 total cpu time spent up to now is 177.2 secs Computing kpt #: 126 total cpu time spent up to now is 178.4 secs Computing kpt #: 127 total cpu time spent up to now is 179.6 secs Computing kpt #: 128 total cpu time spent up to now is 180.8 secs Computing kpt #: 129 total cpu time spent up to now is 182.0 secs Computing kpt #: 130 total cpu time spent up to now is 183.4 secs Computing kpt #: 131 total cpu time spent up to now is 184.6 secs Computing kpt #: 132 total cpu time spent up to now is 185.8 secs Computing kpt #: 133 total cpu time spent up to now is 187.1 secs Computing kpt #: 134 total cpu time spent up to now is 188.3 secs Computing kpt #: 135 total cpu time spent up to now is 189.7 secs Computing kpt #: 136 total cpu time spent up to now is 191.1 secs Computing kpt #: 137 total cpu time spent up to now is 192.5 secs Computing kpt #: 138 total cpu time spent up to now is 193.7 secs Computing kpt #: 139 total cpu time spent up to now is 194.9 secs Computing kpt #: 140 total cpu time spent up to now is 196.3 secs Computing kpt #: 141 total cpu time spent up to now is 197.6 secs Computing kpt #: 142 total cpu time spent up to now is 198.9 secs Computing kpt #: 143 total cpu time spent up to now is 200.3 secs Computing kpt #: 144 total cpu time spent up to now is 201.6 secs Computing kpt #: 145 total cpu time spent up to now is 202.9 secs Computing kpt #: 146 total cpu time spent up to now is 204.2 secs Computing kpt #: 147 total cpu time spent up to now is 205.4 secs Computing kpt #: 148 total cpu time spent up to now is 206.8 secs Computing kpt #: 149 total cpu time spent up to now is 208.1 secs Computing kpt #: 150 total cpu time spent up to now is 209.5 secs Computing kpt #: 151 total cpu time spent up to now is 210.8 secs Computing kpt #: 152 total cpu time spent up to now is 212.1 secs Computing kpt #: 153 total cpu time spent up to now is 213.5 secs Computing kpt #: 154 total cpu time spent up to now is 214.8 secs Computing kpt #: 155 total cpu time spent up to now is 216.1 secs Computing kpt #: 156 total cpu time spent up to now is 217.5 secs Computing kpt #: 157 total cpu time spent up to now is 218.9 secs Computing kpt #: 158 total cpu time spent up to now is 220.2 secs Computing kpt #: 159 total cpu time spent up to now is 221.6 secs Computing kpt #: 160 total cpu time spent up to now is 222.9 secs Computing kpt #: 161 total cpu time spent up to now is 224.3 secs Computing kpt #: 162 total cpu time spent up to now is 225.7 secs Computing kpt #: 163 total cpu time spent up to now is 227.0 secs Computing kpt #: 164 total cpu time spent up to now is 228.4 secs Computing kpt #: 165 total cpu time spent up to now is 229.7 secs Computing kpt #: 166 total cpu time spent up to now is 231.2 secs Computing kpt #: 167 total cpu time spent up to now is 233.0 secs Computing kpt #: 168 total cpu time spent up to now is 234.3 secs Computing kpt #: 169 total cpu time spent up to now is 235.7 secs Computing kpt #: 170 total cpu time spent up to now is 237.1 secs Computing kpt #: 171 total cpu time spent up to now is 238.3 secs Computing kpt #: 172 total cpu time spent up to now is 239.7 secs Computing kpt #: 173 total cpu time spent up to now is 241.1 secs Computing kpt #: 174 total cpu time spent up to now is 242.5 secs Computing kpt #: 175 total cpu time spent up to now is 243.9 secs Computing kpt #: 176 total cpu time spent up to now is 245.2 secs Computing kpt #: 177 total cpu time spent up to now is 246.6 secs Computing kpt #: 178 total cpu time spent up to now is 248.0 secs Computing kpt #: 179 total cpu time spent up to now is 249.3 secs Computing kpt #: 180 total cpu time spent up to now is 250.7 secs Computing kpt #: 181 total cpu time spent up to now is 252.1 secs Computing kpt #: 182 total cpu time spent up to now is 253.3 secs Computing kpt #: 183 total cpu time spent up to now is 254.7 secs Computing kpt #: 184 total cpu time spent up to now is 256.1 secs Computing kpt #: 185 total cpu time spent up to now is 257.3 secs Computing kpt #: 186 total cpu time spent up to now is 258.7 secs Computing kpt #: 187 total cpu time spent up to now is 260.0 secs Computing kpt #: 188 total cpu time spent up to now is 261.2 secs Computing kpt #: 189 total cpu time spent up to now is 262.4 secs Computing kpt #: 190 total cpu time spent up to now is 263.6 secs Computing kpt #: 191 total cpu time spent up to now is 264.8 secs Computing kpt #: 192 total cpu time spent up to now is 266.0 secs Computing kpt #: 193 total cpu time spent up to now is 267.2 secs Computing kpt #: 194 total cpu time spent up to now is 268.4 secs Computing kpt #: 195 total cpu time spent up to now is 269.6 secs Computing kpt #: 196 total cpu time spent up to now is 270.8 secs Computing kpt #: 197 total cpu time spent up to now is 272.0 secs Computing kpt #: 198 total cpu time spent up to now is 273.2 secs Computing kpt #: 199 total cpu time spent up to now is 274.4 secs Computing kpt #: 200 total cpu time spent up to now is 275.6 secs Computing kpt #: 201 total cpu time spent up to now is 277.0 secs Computing kpt #: 202 total cpu time spent up to now is 278.4 secs Computing kpt #: 203 total cpu time spent up to now is 279.7 secs Computing kpt #: 204 total cpu time spent up to now is 281.1 secs Computing kpt #: 205 total cpu time spent up to now is 282.5 secs Computing kpt #: 206 total cpu time spent up to now is 283.8 secs Computing kpt #: 207 total cpu time spent up to now is 285.1 secs Computing kpt #: 208 total cpu time spent up to now is 286.4 secs Computing kpt #: 209 total cpu time spent up to now is 287.8 secs Computing kpt #: 210 total cpu time spent up to now is 289.2 secs Computing kpt #: 211 total cpu time spent up to now is 290.4 secs Computing kpt #: 212 total cpu time spent up to now is 291.6 secs Computing kpt #: 213 total cpu time spent up to now is 292.9 secs Computing kpt #: 214 total cpu time spent up to now is 294.1 secs Computing kpt #: 215 total cpu time spent up to now is 295.4 secs Computing kpt #: 216 total cpu time spent up to now is 296.6 secs Computing kpt #: 217 total cpu time spent up to now is 297.8 secs Computing kpt #: 218 total cpu time spent up to now is 299.0 secs Computing kpt #: 219 total cpu time spent up to now is 300.2 secs Computing kpt #: 220 total cpu time spent up to now is 301.3 secs Computing kpt #: 221 total cpu time spent up to now is 302.6 secs Computing kpt #: 222 total cpu time spent up to now is 303.7 secs Computing kpt #: 223 total cpu time spent up to now is 304.9 secs Computing kpt #: 224 total cpu time spent up to now is 306.1 secs Computing kpt #: 225 total cpu time spent up to now is 307.3 secs Computing kpt #: 226 total cpu time spent up to now is 308.5 secs Computing kpt #: 227 total cpu time spent up to now is 309.7 secs Computing kpt #: 228 total cpu time spent up to now is 311.1 secs Computing kpt #: 229 total cpu time spent up to now is 312.4 secs Computing kpt #: 230 total cpu time spent up to now is 313.7 secs Computing kpt #: 231 total cpu time spent up to now is 315.1 secs Computing kpt #: 232 total cpu time spent up to now is 316.5 secs Computing kpt #: 233 total cpu time spent up to now is 317.9 secs Computing kpt #: 234 total cpu time spent up to now is 319.2 secs Computing kpt #: 235 total cpu time spent up to now is 320.6 secs Computing kpt #: 236 total cpu time spent up to now is 321.9 secs Computing kpt #: 237 total cpu time spent up to now is 323.4 secs Computing kpt #: 238 total cpu time spent up to now is 324.7 secs Computing kpt #: 239 total cpu time spent up to now is 326.1 secs Computing kpt #: 240 total cpu time spent up to now is 327.4 secs Computing kpt #: 241 total cpu time spent up to now is 328.8 secs Computing kpt #: 242 total cpu time spent up to now is 330.2 secs Computing kpt #: 243 total cpu time spent up to now is 331.6 secs Computing kpt #: 244 total cpu time spent up to now is 333.0 secs Computing kpt #: 245 total cpu time spent up to now is 334.4 secs Computing kpt #: 246 total cpu time spent up to now is 335.9 secs Computing kpt #: 247 total cpu time spent up to now is 337.3 secs Computing kpt #: 248 total cpu time spent up to now is 338.8 secs Computing kpt #: 249 total cpu time spent up to now is 340.2 secs Computing kpt #: 250 total cpu time spent up to now is 341.7 secs Computing kpt #: 251 total cpu time spent up to now is 343.2 secs Computing kpt #: 252 total cpu time spent up to now is 344.6 secs Computing kpt #: 253 total cpu time spent up to now is 345.9 secs Computing kpt #: 254 total cpu time spent up to now is 347.4 secs Computing kpt #: 255 total cpu time spent up to now is 348.8 secs Computing kpt #: 256 total cpu time spent up to now is 350.1 secs Computing kpt #: 257 total cpu time spent up to now is 351.6 secs Computing kpt #: 258 total cpu time spent up to now is 353.0 secs Computing kpt #: 259 total cpu time spent up to now is 354.3 secs Computing kpt #: 260 total cpu time spent up to now is 355.8 secs Computing kpt #: 261 total cpu time spent up to now is 357.1 secs Computing kpt #: 262 total cpu time spent up to now is 358.5 secs Computing kpt #: 263 total cpu time spent up to now is 359.9 secs Computing kpt #: 264 total cpu time spent up to now is 361.3 secs Computing kpt #: 265 total cpu time spent up to now is 362.7 secs Computing kpt #: 266 total cpu time spent up to now is 364.1 secs Computing kpt #: 267 total cpu time spent up to now is 365.5 secs Computing kpt #: 268 total cpu time spent up to now is 366.9 secs Computing kpt #: 269 total cpu time spent up to now is 368.3 secs Computing kpt #: 270 total cpu time spent up to now is 369.7 secs Computing kpt #: 271 total cpu time spent up to now is 371.1 secs Computing kpt #: 272 total cpu time spent up to now is 374.0 secs Computing kpt #: 273 total cpu time spent up to now is 375.4 secs Computing kpt #: 274 total cpu time spent up to now is 376.7 secs Computing kpt #: 275 total cpu time spent up to now is 378.1 secs Computing kpt #: 276 total cpu time spent up to now is 379.5 secs Computing kpt #: 277 total cpu time spent up to now is 380.9 secs Computing kpt #: 278 total cpu time spent up to now is 382.3 secs Computing kpt #: 279 total cpu time spent up to now is 383.6 secs Computing kpt #: 280 total cpu time spent up to now is 385.0 secs Computing kpt #: 281 total cpu time spent up to now is 386.4 secs Computing kpt #: 282 total cpu time spent up to now is 387.7 secs Computing kpt #: 283 total cpu time spent up to now is 389.1 secs Computing kpt #: 284 total cpu time spent up to now is 390.5 secs Computing kpt #: 285 total cpu time spent up to now is 391.9 secs Computing kpt #: 286 total cpu time spent up to now is 393.3 secs Computing kpt #: 287 total cpu time spent up to now is 394.7 secs Computing kpt #: 288 total cpu time spent up to now is 396.1 secs Computing kpt #: 289 total cpu time spent up to now is 397.5 secs Computing kpt #: 290 total cpu time spent up to now is 398.9 secs Computing kpt #: 291 total cpu time spent up to now is 400.3 secs Computing kpt #: 292 total cpu time spent up to now is 401.6 secs Computing kpt #: 293 total cpu time spent up to now is 403.0 secs Computing kpt #: 294 total cpu time spent up to now is 404.4 secs Computing kpt #: 295 total cpu time spent up to now is 405.8 secs Computing kpt #: 296 total cpu time spent up to now is 407.2 secs Computing kpt #: 297 total cpu time spent up to now is 408.5 secs Computing kpt #: 298 total cpu time spent up to now is 409.9 secs Computing kpt #: 299 total cpu time spent up to now is 411.3 secs Computing kpt #: 300 total cpu time spent up to now is 412.7 secs Computing kpt #: 301 total cpu time spent up to now is 414.0 secs Computing kpt #: 302 total cpu time spent up to now is 415.4 secs Computing kpt #: 303 total cpu time spent up to now is 416.8 secs Computing kpt #: 304 total cpu time spent up to now is 418.1 secs Computing kpt #: 305 total cpu time spent up to now is 419.5 secs Computing kpt #: 306 total cpu time spent up to now is 420.9 secs Computing kpt #: 307 total cpu time spent up to now is 422.2 secs Computing kpt #: 308 total cpu time spent up to now is 423.4 secs Computing kpt #: 309 total cpu time spent up to now is 424.6 secs Computing kpt #: 310 total cpu time spent up to now is 425.9 secs Computing kpt #: 311 total cpu time spent up to now is 427.0 secs Computing kpt #: 312 total cpu time spent up to now is 428.3 secs Computing kpt #: 313 total cpu time spent up to now is 429.5 secs Computing kpt #: 314 total cpu time spent up to now is 430.7 secs Computing kpt #: 315 total cpu time spent up to now is 432.0 secs Computing kpt #: 316 total cpu time spent up to now is 433.4 secs Computing kpt #: 317 total cpu time spent up to now is 434.7 secs Computing kpt #: 318 total cpu time spent up to now is 436.1 secs Computing kpt #: 319 total cpu time spent up to now is 437.5 secs Computing kpt #: 320 total cpu time spent up to now is 438.8 secs Computing kpt #: 321 total cpu time spent up to now is 440.2 secs Computing kpt #: 322 total cpu time spent up to now is 441.5 secs Computing kpt #: 323 total cpu time spent up to now is 442.9 secs Computing kpt #: 324 total cpu time spent up to now is 444.3 secs Computing kpt #: 325 total cpu time spent up to now is 445.6 secs Computing kpt #: 326 total cpu time spent up to now is 447.0 secs Computing kpt #: 327 total cpu time spent up to now is 448.4 secs Computing kpt #: 328 total cpu time spent up to now is 449.8 secs Computing kpt #: 329 total cpu time spent up to now is 451.2 secs Computing kpt #: 330 total cpu time spent up to now is 452.4 secs Computing kpt #: 331 total cpu time spent up to now is 453.7 secs Computing kpt #: 332 total cpu time spent up to now is 455.0 secs Computing kpt #: 333 total cpu time spent up to now is 456.4 secs Computing kpt #: 334 total cpu time spent up to now is 457.9 secs Computing kpt #: 335 total cpu time spent up to now is 459.2 secs Computing kpt #: 336 total cpu time spent up to now is 460.7 secs Computing kpt #: 337 total cpu time spent up to now is 462.1 secs Computing kpt #: 338 total cpu time spent up to now is 463.5 secs Computing kpt #: 339 total cpu time spent up to now is 464.8 secs Computing kpt #: 340 total cpu time spent up to now is 466.3 secs Computing kpt #: 341 total cpu time spent up to now is 467.7 secs Computing kpt #: 342 total cpu time spent up to now is 469.1 secs Computing kpt #: 343 total cpu time spent up to now is 470.6 secs Computing kpt #: 344 total cpu time spent up to now is 472.0 secs Computing kpt #: 345 total cpu time spent up to now is 473.5 secs Computing kpt #: 346 total cpu time spent up to now is 474.9 secs Computing kpt #: 347 total cpu time spent up to now is 476.2 secs Computing kpt #: 348 total cpu time spent up to now is 477.6 secs Computing kpt #: 349 total cpu time spent up to now is 479.0 secs Computing kpt #: 350 total cpu time spent up to now is 480.3 secs Computing kpt #: 351 total cpu time spent up to now is 481.8 secs Computing kpt #: 352 total cpu time spent up to now is 483.2 secs Computing kpt #: 353 total cpu time spent up to now is 484.6 secs Computing kpt #: 354 total cpu time spent up to now is 485.9 secs Computing kpt #: 355 total cpu time spent up to now is 487.3 secs Computing kpt #: 356 total cpu time spent up to now is 488.5 secs Computing kpt #: 357 total cpu time spent up to now is 489.9 secs Computing kpt #: 358 total cpu time spent up to now is 491.3 secs Computing kpt #: 359 total cpu time spent up to now is 492.7 secs Computing kpt #: 360 total cpu time spent up to now is 494.0 secs Computing kpt #: 361 total cpu time spent up to now is 495.5 secs Computing kpt #: 362 total cpu time spent up to now is 496.9 secs Computing kpt #: 363 total cpu time spent up to now is 498.3 secs Computing kpt #: 364 total cpu time spent up to now is 499.5 secs ethr = 1.56E-08, avg # of iterations = 22.8 total cpu time spent up to now is 499.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7491 PWs) bands (ev): -27.0801 -27.0801 -27.0760 -27.0760 -20.6504 -20.6504 -20.5918 -20.5918 -18.8033 -18.8033 -18.7589 -18.7589 -18.7470 -18.7470 -18.7060 -18.7060 -10.7598 -10.7598 -10.7464 -10.7464 -10.5173 -10.5173 -10.4964 -10.4964 -10.4666 -10.4666 -10.4608 -10.4608 -6.9389 -6.9389 -6.6002 -6.6002 -6.5961 -6.5961 -6.5545 -6.5545 -3.6682 -3.6682 -3.5673 -3.5673 -3.3097 -3.3097 -2.9738 -2.9738 -1.9062 -1.9062 -1.8435 -1.8435 -1.8233 -1.8233 -1.7860 -1.7860 -1.7574 -1.7574 -1.7483 -1.7483 -1.1062 -1.1062 -0.9559 -0.9559 -0.9147 -0.9147 -0.8737 -0.8737 4.6511 4.6511 6.8485 6.8485 7.3870 7.3870 8.2288 8.2288 8.7125 8.7125 8.8399 8.8399 k = 0.0128-0.0000-0.0000 ( 7497 PWs) bands (ev): -27.0801 -27.0801 -27.0760 -27.0760 -20.6503 -20.6503 -20.5916 -20.5916 -18.8033 -18.8032 -18.7590 -18.7590 -18.7472 -18.7472 -18.7060 -18.7060 -10.7602 -10.7595 -10.7473 -10.7457 -10.5175 -10.5172 -10.4967 -10.4961 -10.4669 -10.4668 -10.4611 -10.4604 -6.9389 -6.9389 -6.6029 -6.6028 -6.5964 -6.5963 -6.5521 -6.5520 -3.6683 -3.6681 -3.5672 -3.5671 -3.3102 -3.3099 -2.9742 -2.9742 -1.9082 -1.9043 -1.8443 -1.8424 -1.8244 -1.8210 -1.7869 -1.7848 -1.7576 -1.7572 -1.7482 -1.7482 -1.1073 -1.1071 -0.9561 -0.9559 -0.9143 -0.9141 -0.8742 -0.8740 4.6536 4.6537 6.8497 6.8499 7.3884 7.3886 8.2299 8.2300 8.7137 8.7138 8.8395 8.8395 k = 0.0256-0.0000-0.0000 ( 7493 PWs) bands (ev): -27.0800 -27.0800 -27.0759 -27.0759 -20.6500 -20.6500 -20.5913 -20.5913 -18.8032 -18.8032 -18.7594 -18.7594 -18.7476 -18.7476 -18.7060 -18.7060 -10.7607 -10.7593 -10.7482 -10.7451 -10.5177 -10.5171 -10.4971 -10.4960 -10.4676 -10.4676 -10.4615 -10.4601 -6.9389 -6.9389 -6.6098 -6.6095 -6.5971 -6.5969 -6.5461 -6.5458 -3.6684 -3.6679 -3.5669 -3.5666 -3.3114 -3.3108 -2.9756 -2.9755 -1.9103 -1.9026 -1.8447 -1.8409 -1.8241 -1.8177 -1.7873 -1.7832 -1.7576 -1.7568 -1.7480 -1.7479 -1.1103 -1.1099 -0.9563 -0.9561 -0.9128 -0.9124 -0.8753 -0.8750 4.6613 4.6614 6.8534 6.8538 7.3929 7.3932 8.2333 8.2333 8.7173 8.7174 8.8382 8.8383 k = 0.0385-0.0000-0.0000 ( 7493 PWs) bands (ev): -27.0799 -27.0799 -27.0758 -27.0758 -20.6495 -20.6495 -20.5907 -20.5907 -18.8032 -18.8032 -18.7601 -18.7601 -18.7483 -18.7483 -18.7059 -18.7059 -10.7613 -10.7592 -10.7492 -10.7446 -10.5179 -10.5170 -10.4976 -10.4959 -10.4688 -10.4687 -10.4618 -10.4600 -6.9388 -6.9388 -6.6189 -6.6185 -6.5983 -6.5981 -6.5382 -6.5379 -3.6684 -3.6678 -3.5663 -3.5659 -3.3133 -3.3125 -2.9778 -2.9776 -1.9121 -1.9012 -1.8450 -1.8393 -1.8222 -1.8136 -1.7870 -1.7814 -1.7576 -1.7563 -1.7475 -1.7474 -1.1150 -1.1145 -0.9567 -0.9563 -0.9103 -0.9097 -0.8771 -0.8767 4.6741 4.6742 6.8596 6.8602 7.4005 7.4008 8.2388 8.2389 8.7232 8.7234 8.8360 8.8361 k = 0.0513-0.0000-0.0000 ( 7497 PWs) bands (ev): -27.0798 -27.0798 -27.0757 -27.0757 -20.6487 -20.6487 -20.5899 -20.5899 -18.8031 -18.8031 -18.7611 -18.7610 -18.7492 -18.7492 -18.7058 -18.7058 -10.7619 -10.7593 -10.7503 -10.7442 -10.5181 -10.5170 -10.4981 -10.4960 -10.4704 -10.4700 -10.4623 -10.4600 -6.9387 -6.9387 -6.6292 -6.6288 -6.6000 -6.5997 -6.5295 -6.5292 -3.6685 -3.6676 -3.5655 -3.5649 -3.3159 -3.3148 -2.9808 -2.9805 -1.9136 -1.9001 -1.8451 -1.8374 -1.8188 -1.8093 -1.7859 -1.7792 -1.7574 -1.7558 -1.7469 -1.7466 -1.1214 -1.1207 -0.9572 -0.9567 -0.9071 -0.9063 -0.8796 -0.8790 4.6919 4.6921 6.8683 6.8691 7.4110 7.4115 8.2464 8.2465 8.7314 8.7317 8.8331 8.8332 k = 0.0641-0.0000-0.0000 ( 7491 PWs) bands (ev): -27.0796 -27.0796 -27.0755 -27.0755 -20.6478 -20.6478 -20.5889 -20.5889 -18.8030 -18.8030 -18.7622 -18.7622 -18.7504 -18.7504 -18.7056 -18.7056 -10.7627 -10.7594 -10.7514 -10.7440 -10.5184 -10.5170 -10.4987 -10.4961 -10.4724 -10.4716 -10.4629 -10.4603 -6.9385 -6.9385 -6.6402 -6.6397 -6.6021 -6.6017 -6.5205 -6.5202 -3.6686 -3.6674 -3.5645 -3.5637 -3.3192 -3.3179 -2.9845 -2.9842 -1.9147 -1.8990 -1.8452 -1.8354 -1.8141 -1.8052 -1.7834 -1.7769 -1.7572 -1.7552 -1.7459 -1.7456 -1.1292 -1.1284 -0.9579 -0.9573 -0.9031 -0.9022 -0.8827 -0.8820 4.7147 4.7149 6.8794 6.8804 7.4246 7.4252 8.2560 8.2561 8.7418 8.7421 8.8293 8.8294 k = 0.0769-0.0000-0.0000 ( 7495 PWs) bands (ev): -27.0794 -27.0794 -27.0753 -27.0753 -20.6467 -20.6467 -20.5877 -20.5876 -18.8029 -18.8029 -18.7637 -18.7637 -18.7518 -18.7518 -18.7054 -18.7054 -10.7636 -10.7597 -10.7527 -10.7438 -10.5186 -10.5171 -10.4994 -10.4964 -10.4746 -10.4734 -10.4637 -10.4608 -6.9384 -6.9384 -6.6516 -6.6512 -6.6046 -6.6041 -6.5115 -6.5112 -3.6686 -3.6673 -3.5633 -3.5625 -3.3231 -3.3217 -2.9889 -2.9885 -1.9152 -1.8980 -1.8452 -1.8334 -1.8081 -1.8020 -1.7793 -1.7745 -1.7569 -1.7545 -1.7446 -1.7442 -1.1383 -1.1373 -0.9586 -0.9579 -0.8987 -0.8977 -0.8863 -0.8854 4.7425 4.7427 6.8930 6.8941 7.4412 7.4418 8.2674 8.2676 8.7541 8.7544 8.8247 8.8249 k = 0.0897-0.0000-0.0000 ( 7493 PWs) bands (ev): -27.0791 -27.0791 -27.0750 -27.0750 -20.6453 -20.6453 -20.5862 -20.5862 -18.8028 -18.8027 -18.7654 -18.7654 -18.7535 -18.7535 -18.7052 -18.7052 -10.7645 -10.7601 -10.7539 -10.7438 -10.5189 -10.5172 -10.5000 -10.4968 -10.4770 -10.4753 -10.4648 -10.4616 -6.9382 -6.9382 -6.6634 -6.6630 -6.6075 -6.6070 -6.5025 -6.5022 -3.6687 -3.6671 -3.5621 -3.5611 -3.3276 -3.3261 -2.9938 -2.9933 -1.9152 -1.8967 -1.8453 -1.8314 -1.8012 -1.7997 -1.7736 -1.7720 -1.7564 -1.7536 -1.7429 -1.7423 -1.1484 -1.1474 -0.9596 -0.9587 -0.8940 -0.8930 -0.8903 -0.8894 4.7750 4.7752 6.9088 6.9101 7.4607 7.4614 8.2806 8.2808 8.7681 8.7685 8.8194 8.8196 k = 0.1026-0.0000-0.0000 ( 7509 PWs) bands (ev): -27.0788 -27.0788 -27.0747 -27.0747 -20.6438 -20.6438 -20.5846 -20.5845 -18.8026 -18.8026 -18.7673 -18.7673 -18.7555 -18.7555 -18.7050 -18.7050 -10.7655 -10.7607 -10.7552 -10.7439 -10.5192 -10.5173 -10.5008 -10.4974 -10.4796 -10.4774 -10.4660 -10.4627 -6.9380 -6.9380 -6.6755 -6.6750 -6.6108 -6.6102 -6.4936 -6.4933 -3.6688 -3.6669 -3.5609 -3.5598 -3.3327 -3.3311 -2.9991 -2.9986 -1.9145 -1.8953 -1.8453 -1.8296 -1.7982 -1.7937 -1.7697 -1.7671 -1.7559 -1.7523 -1.7407 -1.7397 -1.1594 -1.1583 -0.9606 -0.9597 -0.8949 -0.8937 -0.8890 -0.8878 4.8121 4.8124 6.9269 6.9283 7.4831 7.4838 8.2952 8.2955 8.7836 8.7840 8.8135 8.8136 k = 0.1154-0.0000-0.0000 ( 7505 PWs) bands (ev): -27.0784 -27.0784 -27.0744 -27.0744 -20.6422 -20.6421 -20.5827 -20.5827 -18.8024 -18.8024 -18.7694 -18.7694 -18.7576 -18.7576 -18.7047 -18.7047 -10.7666 -10.7614 -10.7565 -10.7442 -10.5195 -10.5175 -10.5015 -10.4981 -10.4824 -10.4795 -10.4675 -10.4640 -6.9379 -6.9378 -6.6877 -6.6872 -6.6143 -6.6137 -6.4850 -6.4846 -3.6688 -3.6667 -3.5599 -3.5586 -3.3384 -3.3368 -3.0048 -3.0042 -1.9131 -1.8935 -1.8453 -1.8279 -1.7969 -1.7857 -1.7675 -1.7611 -1.7551 -1.7499 -1.7378 -1.7365 -1.1712 -1.1700 -0.9618 -0.9607 -0.8995 -0.8983 -0.8840 -0.8828 4.8538 4.8542 6.9471 6.9486 7.5083 7.5092 8.3111 8.3114 8.8000 8.8001 8.8071 8.8073 k = 0.1282-0.0000-0.0000 ( 7517 PWs) bands (ev): -27.0781 -27.0781 -27.0740 -27.0740 -20.6403 -20.6403 -20.5807 -20.5807 -18.8023 -18.8022 -18.7718 -18.7718 -18.7600 -18.7600 -18.7044 -18.7044 -10.7678 -10.7623 -10.7578 -10.7445 -10.5197 -10.5177 -10.5023 -10.4990 -10.4853 -10.4816 -10.4692 -10.4656 -6.9377 -6.9377 -6.7000 -6.6995 -6.6181 -6.6174 -6.4765 -6.4761 -3.6689 -3.6664 -3.5590 -3.5576 -3.3446 -3.3430 -3.0106 -3.0099 -1.9111 -1.8914 -1.8453 -1.8265 -1.7958 -1.7777 -1.7657 -1.7573 -1.7542 -1.7455 -1.7336 -1.7323 -1.1836 -1.1824 -0.9632 -0.9620 -0.9044 -0.9031 -0.8790 -0.8778 4.8999 4.9003 6.9694 6.9710 7.5364 7.5373 8.3279 8.3282 8.7992 8.7997 8.8172 8.8180 k = 0.1410-0.0000-0.0000 ( 7525 PWs) bands (ev): -27.0777 -27.0777 -27.0736 -27.0736 -20.6383 -20.6383 -20.5785 -20.5785 -18.8021 -18.8020 -18.7743 -18.7743 -18.7625 -18.7625 -18.7041 -18.7041 -10.7690 -10.7634 -10.7591 -10.7450 -10.5200 -10.5180 -10.5031 -10.5002 -10.4883 -10.4837 -10.4711 -10.4673 -6.9375 -6.9375 -6.7125 -6.7119 -6.6222 -6.6215 -6.4682 -6.4679 -3.6689 -3.6662 -3.5583 -3.5569 -3.3512 -3.3497 -3.0164 -3.0156 -1.9084 -1.8889 -1.8452 -1.8253 -1.7947 -1.7700 -1.7640 -1.7555 -1.7532 -1.7404 -1.7275 -1.7272 -1.1966 -1.1953 -0.9647 -0.9634 -0.9094 -0.9079 -0.8740 -0.8728 4.9503 4.9506 6.9937 6.9954 7.5673 7.5681 8.3453 8.3457 8.7915 8.7920 8.8340 8.8348 k = 0.1538-0.0000-0.0000 ( 7527 PWs) bands (ev): -27.0772 -27.0772 -27.0732 -27.0732 -20.6362 -20.6361 -20.5762 -20.5761 -18.8019 -18.8018 -18.7771 -18.7770 -18.7652 -18.7652 -18.7038 -18.7038 -10.7703 -10.7647 -10.7603 -10.7457 -10.5202 -10.5183 -10.5039 -10.5017 -10.4913 -10.4856 -10.4731 -10.4693 -6.9374 -6.9374 -6.7249 -6.7243 -6.6265 -6.6257 -6.4601 -6.4598 -3.6689 -3.6659 -3.5581 -3.5566 -3.3583 -3.3570 -3.0222 -3.0213 -1.9050 -1.8861 -1.8451 -1.8245 -1.7936 -1.7646 -1.7605 -1.7545 -1.7519 -1.7359 -1.7211 -1.7192 -1.2100 -1.2086 -0.9663 -0.9649 -0.9144 -0.9128 -0.8692 -0.8680 5.0046 5.0051 7.0198 7.0215 7.6008 7.6016 8.3629 8.3633 8.7833 8.7838 8.8497 8.8505 k = 0.1667-0.0000-0.0000 ( 7519 PWs) bands (ev): -27.0768 -27.0768 -27.0728 -27.0728 -20.6339 -20.6339 -20.5737 -20.5736 -18.8016 -18.8016 -18.7799 -18.7799 -18.7681 -18.7681 -18.7034 -18.7034 -10.7717 -10.7661 -10.7615 -10.7464 -10.5205 -10.5187 -10.5047 -10.5034 -10.4943 -10.4874 -10.4754 -10.4716 -6.9373 -6.9373 -6.7374 -6.7368 -6.6309 -6.6301 -6.4523 -6.4519 -3.6689 -3.6656 -3.5583 -3.5567 -3.3658 -3.3647 -3.0277 -3.0268 -1.9011 -1.8830 -1.8447 -1.8239 -1.7924 -1.7630 -1.7540 -1.7538 -1.7506 -1.7319 -1.7139 -1.7096 -1.2237 -1.2223 -0.9681 -0.9665 -0.9192 -0.9176 -0.8645 -0.8633 5.0629 5.0634 7.0476 7.0493 7.6369 7.6376 8.3803 8.3808 8.7747 8.7752 8.8632 8.8641 k = 0.1795-0.0000-0.0000 ( 7523 PWs) bands (ev): -27.0763 -27.0763 -27.0723 -27.0723 -20.6315 -20.6315 -20.5711 -20.5710 -18.8014 -18.8014 -18.7830 -18.7830 -18.7712 -18.7711 -18.7030 -18.7030 -10.7731 -10.7676 -10.7627 -10.7473 -10.5207 -10.5192 -10.5056 -10.5054 -10.4974 -10.4891 -10.4777 -10.4740 -6.9373 -6.9373 -6.7498 -6.7492 -6.6354 -6.6346 -6.4446 -6.4443 -3.6688 -3.6652 -3.5590 -3.5573 -3.3737 -3.3728 -3.0328 -3.0319 -1.8967 -1.8798 -1.8442 -1.8237 -1.7911 -1.7621 -1.7532 -1.7495 -1.7472 -1.7281 -1.7058 -1.6994 -1.2377 -1.2363 -0.9700 -0.9683 -0.9240 -0.9223 -0.8601 -0.8588 5.1249 5.1254 7.0770 7.0787 7.6755 7.6761 8.3971 8.3976 8.7658 8.7663 8.8733 8.8742 k = 0.1923-0.0000-0.0000 ( 7531 PWs) bands (ev): -27.0758 -27.0758 -27.0718 -27.0718 -20.6290 -20.6290 -20.5683 -20.5683 -18.8012 -18.8011 -18.7861 -18.7861 -18.7743 -18.7743 -18.7027 -18.7026 -10.7745 -10.7692 -10.7639 -10.7484 -10.5209 -10.5198 -10.5077 -10.5065 -10.5003 -10.4905 -10.4802 -10.4766 -6.9373 -6.9373 -6.7621 -6.7615 -6.6400 -6.6392 -6.4372 -6.4369 -3.6688 -3.6648 -3.5603 -3.5586 -3.3819 -3.3813 -3.0375 -3.0365 -1.8917 -1.8766 -1.8434 -1.8237 -1.7898 -1.7613 -1.7526 -1.7481 -1.7412 -1.7244 -1.6970 -1.6888 -1.2519 -1.2504 -0.9720 -0.9703 -0.9284 -0.9267 -0.8558 -0.8546 5.1905 5.1909 7.1077 7.1094 7.7165 7.7170 8.4125 8.4131 8.7567 8.7573 8.8787 8.8796 k = 0.2051-0.0000-0.0000 ( 7527 PWs) bands (ev): -27.0753 -27.0753 -27.0713 -27.0713 -20.6265 -20.6264 -20.5655 -20.5655 -18.8009 -18.8009 -18.7894 -18.7894 -18.7776 -18.7776 -18.7023 -18.7022 -10.7760 -10.7709 -10.7652 -10.7495 -10.5211 -10.5205 -10.5101 -10.5074 -10.5030 -10.4918 -10.4828 -10.4793 -6.9374 -6.9373 -6.7743 -6.7737 -6.6446 -6.6438 -6.4301 -6.4297 -3.6686 -3.6644 -3.5622 -3.5605 -3.3904 -3.3901 -3.0417 -3.0406 -1.8864 -1.8736 -1.8421 -1.8239 -1.7883 -1.7604 -1.7521 -1.7468 -1.7356 -1.7207 -1.6877 -1.6780 -1.2662 -1.2647 -0.9740 -0.9723 -0.9326 -0.9309 -0.8518 -0.8506 5.2594 5.2598 7.1398 7.1414 7.7598 7.7602 8.4262 8.4268 8.7475 8.7482 8.8786 8.8794 k = 0.2179-0.0000-0.0000 ( 7517 PWs) bands (ev): -27.0747 -27.0747 -27.0708 -27.0708 -20.6238 -20.6238 -20.5626 -20.5626 -18.8007 -18.8007 -18.7927 -18.7927 -18.7809 -18.7809 -18.7018 -18.7018 -10.7775 -10.7726 -10.7665 -10.7508 -10.5214 -10.5213 -10.5127 -10.5085 -10.5055 -10.4929 -10.4855 -10.4822 -6.9375 -6.9375 -6.7863 -6.7857 -6.6492 -6.6484 -6.4232 -6.4227 -3.6684 -3.6638 -3.5648 -3.5631 -3.3992 -3.3991 -3.0452 -3.0442 -1.8807 -1.8709 -1.8403 -1.8243 -1.7867 -1.7593 -1.7515 -1.7456 -1.7304 -1.7171 -1.6780 -1.6672 -1.2806 -1.2790 -0.9761 -0.9744 -0.9365 -0.9348 -0.8480 -0.8468 5.3314 5.3319 7.1729 7.1744 7.8053 7.8056 8.4375 8.4381 8.7384 8.7391 8.8727 8.8735 k = 0.2308-0.0000-0.0000 ( 7513 PWs) bands (ev): -27.0742 -27.0742 -27.0703 -27.0703 -20.6211 -20.6211 -20.5596 -20.5596 -18.8006 -18.8005 -18.7960 -18.7960 -18.7843 -18.7843 -18.7014 -18.7014 -10.7790 -10.7742 -10.7679 -10.7522 -10.5225 -10.5215 -10.5154 -10.5098 -10.5075 -10.4940 -10.4881 -10.4851 -6.9377 -6.9377 -6.7982 -6.7976 -6.6538 -6.6530 -6.4165 -6.4160 -3.6681 -3.6632 -3.5681 -3.5663 -3.4086 -3.4081 -3.0481 -3.0470 -1.8749 -1.8688 -1.8378 -1.8248 -1.7850 -1.7580 -1.7509 -1.7445 -1.7256 -1.7135 -1.6681 -1.6566 -1.2951 -1.2933 -0.9782 -0.9765 -0.9401 -0.9384 -0.8444 -0.8433 5.4064 5.4069 7.2068 7.2083 7.8528 7.8530 8.4456 8.4463 8.7294 8.7302 8.8618 8.8625 k = 0.2436-0.0000-0.0000 ( 7501 PWs) bands (ev): -27.0737 -27.0737 -27.0698 -27.0698 -20.6184 -20.6183 -20.5566 -20.5566 -18.8010 -18.8009 -18.7988 -18.7988 -18.7878 -18.7878 -18.7010 -18.7009 -10.7805 -10.7759 -10.7693 -10.7537 -10.5239 -10.5218 -10.5179 -10.5113 -10.5090 -10.4950 -10.4907 -10.4882 -6.9380 -6.9380 -6.8098 -6.8092 -6.6582 -6.6574 -6.4100 -6.4096 -3.6677 -3.6624 -3.5720 -3.5703 -3.4182 -3.4172 -3.0503 -3.0492 -1.8691 -1.8672 -1.8347 -1.8253 -1.7831 -1.7562 -1.7503 -1.7434 -1.7212 -1.7100 -1.6582 -1.6460 -1.3095 -1.3076 -0.9803 -0.9786 -0.9433 -0.9417 -0.8411 -0.8401 5.4842 5.4847 7.2415 7.2428 7.9022 7.9023 8.4500 8.4508 8.7206 8.7214 8.8469 8.8475 k = 0.2564-0.0000-0.0000 ( 7493 PWs) bands (ev): -27.0731 -27.0731 -27.0693 -27.0693 -20.6156 -20.6156 -20.5536 -20.5536 -18.8036 -18.8035 -18.7995 -18.7994 -18.7913 -18.7913 -18.7005 -18.7005 -10.7820 -10.7775 -10.7708 -10.7553 -10.5255 -10.5227 -10.5199 -10.5128 -10.5103 -10.4960 -10.4932 -10.4913 -6.9384 -6.9384 -6.8211 -6.8205 -6.6626 -6.6618 -6.4038 -6.4034 -3.6671 -3.6615 -3.5766 -3.5749 -3.4279 -3.4265 -3.0519 -3.0508 -1.8661 -1.8634 -1.8313 -1.8257 -1.7810 -1.7541 -1.7497 -1.7424 -1.7172 -1.7065 -1.6485 -1.6358 -1.3238 -1.3218 -0.9823 -0.9806 -0.9463 -0.9447 -0.8381 -0.8371 5.5645 5.5651 7.2766 7.2778 7.9534 7.9535 8.4500 8.4508 8.7121 8.7130 8.8293 8.8298 k = 0.2692-0.0000-0.0000 ( 7489 PWs) bands (ev): -27.0726 -27.0726 -27.0688 -27.0688 -20.6129 -20.6128 -20.5506 -20.5505 -18.8069 -18.8069 -18.7993 -18.7993 -18.7948 -18.7947 -18.7001 -18.7001 -10.7835 -10.7791 -10.7723 -10.7570 -10.5274 -10.5247 -10.5208 -10.5141 -10.5116 -10.4971 -10.4956 -10.4942 -6.9388 -6.9388 -6.8321 -6.8315 -6.6667 -6.6660 -6.3979 -6.3975 -3.6664 -3.6605 -3.5817 -3.5800 -3.4378 -3.4360 -3.0528 -3.0517 -1.8653 -1.8580 -1.8277 -1.8261 -1.7785 -1.7515 -1.7489 -1.7414 -1.7134 -1.7032 -1.6389 -1.6258 -1.3380 -1.3358 -0.9841 -0.9825 -0.9490 -0.9475 -0.8353 -0.8343 5.6473 5.6478 7.3119 7.3130 8.0061 8.0064 8.4452 8.4460 8.7040 8.7049 8.8103 8.8107 k = 0.2821-0.0000-0.0000 ( 7483 PWs) bands (ev): -27.0720 -27.0720 -27.0682 -27.0682 -20.6101 -20.6101 -20.5476 -20.5475 -18.8103 -18.8103 -18.7991 -18.7991 -18.7982 -18.7982 -18.6997 -18.6997 -10.7850 -10.7806 -10.7739 -10.7588 -10.5295 -10.5272 -10.5210 -10.5153 -10.5128 -10.4990 -10.4977 -10.4964 -6.9394 -6.9393 -6.8427 -6.8422 -6.6707 -6.6700 -6.3923 -6.3918 -3.6655 -3.6593 -3.5873 -3.5857 -3.4478 -3.4455 -3.0531 -3.0521 -1.8648 -1.8532 -1.8261 -1.8242 -1.7757 -1.7485 -1.7479 -1.7402 -1.7100 -1.7001 -1.6297 -1.6162 -1.3520 -1.3497 -0.9858 -0.9842 -0.9514 -0.9500 -0.8327 -0.8317 5.7322 5.7327 7.3471 7.3481 8.0603 8.0607 8.4349 8.4358 8.6962 8.6972 8.7910 8.7913 k = 0.2949-0.0000-0.0000 ( 7475 PWs) bands (ev): -27.0715 -27.0715 -27.0677 -27.0677 -20.6074 -20.6074 -20.5446 -20.5446 -18.8137 -18.8137 -18.8016 -18.8016 -18.7989 -18.7989 -18.6993 -18.6992 -10.7864 -10.7821 -10.7755 -10.7606 -10.5316 -10.5297 -10.5211 -10.5166 -10.5140 -10.5018 -10.4996 -10.4976 -6.9400 -6.9400 -6.8530 -6.8525 -6.6745 -6.6738 -6.3869 -6.3864 -3.6644 -3.6579 -3.5933 -3.5918 -3.4579 -3.4550 -3.0529 -3.0519 -1.8643 -1.8491 -1.8259 -1.8209 -1.7727 -1.7467 -1.7458 -1.7381 -1.7069 -1.6971 -1.6209 -1.6070 -1.3658 -1.3632 -0.9872 -0.9858 -0.9536 -0.9524 -0.8303 -0.8294 5.8191 5.8197 7.3820 7.3829 8.1158 8.1164 8.4188 8.4197 8.6888 8.6898 8.7721 8.7724 k = 0.3077-0.0000-0.0000 ( 7477 PWs) bands (ev): -27.0710 -27.0710 -27.0672 -27.0672 -20.6048 -20.6047 -20.5417 -20.5416 -18.8171 -18.8170 -18.8050 -18.8049 -18.7986 -18.7986 -18.6989 -18.6988 -10.7878 -10.7835 -10.7772 -10.7625 -10.5337 -10.5322 -10.5212 -10.5182 -10.5149 -10.5050 -10.5012 -10.4984 -6.9407 -6.9406 -6.8628 -6.8623 -6.6781 -6.6774 -6.3817 -6.3813 -3.6631 -3.6563 -3.5997 -3.5982 -3.4679 -3.4646 -3.0522 -3.0512 -1.8639 -1.8459 -1.8252 -1.8180 -1.7696 -1.7450 -1.7442 -1.7343 -1.7040 -1.6942 -1.6127 -1.5983 -1.3794 -1.3765 -0.9885 -0.9871 -0.9557 -0.9545 -0.8281 -0.8273 5.9078 5.9084 7.4163 7.4170 8.1724 8.1732 8.3967 8.3976 8.6819 8.6829 8.7544 8.7548 k = 0.3205-0.0000-0.0000 ( 7494 PWs) bands (ev): -27.0705 -27.0705 -27.0668 -27.0668 -20.6022 -20.6022 -20.5389 -20.5388 -18.8203 -18.8203 -18.8082 -18.8082 -18.7984 -18.7984 -18.6985 -18.6984 -10.7891 -10.7848 -10.7788 -10.7645 -10.5357 -10.5346 -10.5213 -10.5201 -10.5156 -10.5081 -10.5024 -10.4991 -6.9414 -6.9414 -6.8722 -6.8717 -6.6814 -6.6808 -6.3769 -6.3765 -3.6615 -3.6545 -3.6062 -3.6049 -3.4780 -3.4741 -3.0511 -3.0502 -1.8635 -1.8435 -1.8242 -1.8156 -1.7667 -1.7437 -1.7424 -1.7289 -1.7014 -1.6915 -1.6050 -1.5902 -1.3926 -1.3894 -0.9896 -0.9883 -0.9575 -0.9564 -0.8262 -0.8254 5.9981 5.9986 7.4496 7.4502 8.2300 8.2309 8.3682 8.3691 8.6755 8.6765 8.7384 8.7389 k = 0.3333-0.0000-0.0000 ( 7492 PWs) bands (ev): -27.0700 -27.0700 -27.0663 -27.0663 -20.5997 -20.5997 -20.5361 -20.5361 -18.8235 -18.8235 -18.8113 -18.8113 -18.7982 -18.7982 -18.6981 -18.6981 -10.7903 -10.7860 -10.7805 -10.7665 -10.5377 -10.5368 -10.5223 -10.5214 -10.5161 -10.5112 -10.5034 -10.4998 -6.9422 -6.9422 -6.8811 -6.8807 -6.6845 -6.6840 -6.3724 -6.3719 -3.6597 -3.6524 -3.6129 -3.6116 -3.4880 -3.4837 -3.0497 -3.0488 -1.8629 -1.8419 -1.8230 -1.8136 -1.7643 -1.7438 -1.7388 -1.7224 -1.6990 -1.6889 -1.5980 -1.5828 -1.4054 -1.4018 -0.9905 -0.9892 -0.9591 -0.9581 -0.8244 -0.8237 6.0897 6.0903 7.4818 7.4822 8.2883 8.2894 8.3334 8.3343 8.6697 8.6707 8.7246 8.7252 k = 0.3462-0.0000-0.0000 ( 7488 PWs) bands (ev): -27.0696 -27.0696 -27.0658 -27.0658 -20.5973 -20.5973 -20.5335 -20.5335 -18.8265 -18.8265 -18.8144 -18.8143 -18.7980 -18.7979 -18.6977 -18.6977 -10.7915 -10.7870 -10.7821 -10.7685 -10.5394 -10.5388 -10.5246 -10.5216 -10.5165 -10.5141 -10.5042 -10.5004 -6.9430 -6.9430 -6.8895 -6.8890 -6.6874 -6.6868 -6.3681 -6.3677 -3.6576 -3.6501 -3.6195 -3.6184 -3.4979 -3.4931 -3.0480 -3.0472 -1.8623 -1.8409 -1.8217 -1.8120 -1.7626 -1.7443 -1.7339 -1.7152 -1.6968 -1.6863 -1.5918 -1.5760 -1.4177 -1.4137 -0.9912 -0.9900 -0.9606 -0.9597 -0.8229 -0.8222 6.1825 6.1831 7.5123 7.5127 8.2923 8.2931 8.3471 8.3482 8.6647 8.6656 8.7134 8.7141 k = 0.3590-0.0000-0.0000 ( 7492 PWs) bands (ev): -27.0691 -27.0691 -27.0654 -27.0654 -20.5951 -20.5950 -20.5310 -20.5310 -18.8294 -18.8293 -18.8172 -18.8172 -18.7978 -18.7977 -18.6974 -18.6974 -10.7926 -10.7880 -10.7837 -10.7705 -10.5410 -10.5407 -10.5270 -10.5220 -10.5168 -10.5166 -10.5048 -10.5010 -6.9438 -6.9438 -6.8973 -6.8969 -6.6899 -6.6895 -6.3642 -6.3638 -3.6552 -3.6475 -3.6261 -3.6250 -3.5076 -3.5024 -3.0462 -3.0454 -1.8614 -1.8403 -1.8204 -1.8107 -1.7616 -1.7451 -1.7281 -1.7075 -1.6945 -1.6836 -1.5865 -1.5702 -1.4295 -1.4250 -0.9917 -0.9906 -0.9619 -0.9611 -0.8215 -0.8209 6.2762 6.2768 7.5411 7.5414 8.2450 8.2458 8.4059 8.4069 8.6606 8.6615 8.7051 8.7060 k = 0.3718-0.0000-0.0000 ( 7496 PWs) bands (ev): -27.0687 -27.0687 -27.0650 -27.0650 -20.5929 -20.5929 -20.5287 -20.5286 -18.8321 -18.8320 -18.8199 -18.8199 -18.7976 -18.7975 -18.6971 -18.6971 -10.7936 -10.7888 -10.7852 -10.7725 -10.5424 -10.5424 -10.5294 -10.5232 -10.5183 -10.5171 -10.5052 -10.5015 -6.9447 -6.9447 -6.9045 -6.9041 -6.6923 -6.6919 -6.3605 -6.3602 -3.6525 -3.6446 -3.6324 -3.6314 -3.5172 -3.5116 -3.0443 -3.0436 -1.8605 -1.8399 -1.8191 -1.8098 -1.7612 -1.7462 -1.7217 -1.7002 -1.6916 -1.6808 -1.5822 -1.5653 -1.4405 -1.4355 -0.9920 -0.9911 -0.9631 -0.9624 -0.8202 -0.8197 6.3705 6.3711 7.5678 7.5680 8.1919 8.1927 8.4642 8.4650 8.6576 8.6584 8.7001 8.7014 k = 0.3846-0.0000-0.0000 ( 7502 PWs) bands (ev): -27.0683 -27.0683 -27.0647 -27.0647 -20.5910 -20.5909 -20.5265 -20.5265 -18.8346 -18.8345 -18.8224 -18.8223 -18.7974 -18.7974 -18.6968 -18.6968 -10.7944 -10.7895 -10.7867 -10.7745 -10.5439 -10.5436 -10.5317 -10.5252 -10.5191 -10.5173 -10.5055 -10.5020 -6.9455 -6.9455 -6.9111 -6.9108 -6.6944 -6.6940 -6.3572 -6.3569 -3.6494 -3.6414 -3.6384 -3.6375 -3.5267 -3.5207 -3.0424 -3.0417 -1.8593 -1.8396 -1.8180 -1.8091 -1.7612 -1.7475 -1.7152 -1.6952 -1.6862 -1.6777 -1.5792 -1.5616 -1.4507 -1.4452 -0.9923 -0.9914 -0.9642 -0.9635 -0.8192 -0.8187 6.4652 6.4658 7.5922 7.5923 8.1335 8.1342 8.5209 8.5213 8.6557 8.6566 8.6992 8.7011 k = 0.3974-0.0000-0.0000 ( 7502 PWs) bands (ev): -27.0680 -27.0680 -27.0643 -27.0643 -20.5892 -20.5891 -20.5245 -20.5245 -18.8368 -18.8368 -18.8246 -18.8246 -18.7972 -18.7972 -18.6965 -18.6965 -10.7952 -10.7900 -10.7881 -10.7764 -10.5452 -10.5446 -10.5340 -10.5276 -10.5194 -10.5175 -10.5057 -10.5025 -6.9463 -6.9463 -6.9171 -6.9168 -6.6962 -6.6959 -6.3542 -6.3539 -3.6461 -3.6440 -3.6432 -3.6379 -3.5358 -3.5295 -3.0405 -3.0399 -1.8580 -1.8395 -1.8170 -1.8086 -1.7614 -1.7490 -1.7089 -1.6927 -1.6782 -1.6739 -1.5774 -1.5593 -1.4598 -1.4538 -0.9924 -0.9916 -0.9651 -0.9645 -0.8182 -0.8178 6.5599 6.5604 7.6141 7.6142 8.0702 8.0709 8.5732 8.5737 8.6552 8.6560 8.7041 8.7070 k = 0.4103-0.0000-0.0000 ( 7518 PWs) bands (ev): -27.0677 -27.0677 -27.0640 -27.0640 -20.5875 -20.5875 -20.5227 -20.5227 -18.8389 -18.8389 -18.8267 -18.8267 -18.7971 -18.7971 -18.6963 -18.6963 -10.7958 -10.7905 -10.7894 -10.7782 -10.5463 -10.5454 -10.5361 -10.5300 -10.5194 -10.5177 -10.5059 -10.5030 -6.9471 -6.9471 -6.9225 -6.9222 -6.6978 -6.6975 -6.3516 -6.3513 -3.6492 -3.6485 -3.6424 -3.6342 -3.5447 -3.5381 -3.0387 -3.0382 -1.8565 -1.8396 -1.8159 -1.8082 -1.7618 -1.7507 -1.7033 -1.6912 -1.6693 -1.6691 -1.5770 -1.5586 -1.4676 -1.4614 -0.9925 -0.9918 -0.9658 -0.9653 -0.8174 -0.8171 6.6541 6.6547 7.6334 7.6335 8.0029 8.0035 8.6159 8.6176 8.6562 8.6570 8.7192 8.7236 k = 0.4231-0.0000-0.0000 ( 7510 PWs) bands (ev): -27.0674 -27.0674 -27.0638 -27.0638 -20.5861 -20.5861 -20.5212 -20.5211 -18.8407 -18.8407 -18.8285 -18.8285 -18.7969 -18.7969 -18.6961 -18.6960 -10.7963 -10.7912 -10.7902 -10.7800 -10.5471 -10.5459 -10.5380 -10.5323 -10.5194 -10.5179 -10.5060 -10.5034 -6.9478 -6.9478 -6.9271 -6.9269 -6.6992 -6.6989 -6.3492 -6.3490 -3.6538 -3.6532 -3.6383 -3.6302 -3.5532 -3.5464 -3.0370 -3.0366 -1.8550 -1.8398 -1.8149 -1.8081 -1.7622 -1.7524 -1.6987 -1.6902 -1.6636 -1.6597 -1.5782 -1.5597 -1.4739 -1.4677 -0.9925 -0.9919 -0.9664 -0.9660 -0.8167 -0.8164 6.7473 6.7479 7.6501 7.6501 7.9323 7.9329 8.6437 8.6461 8.6587 8.6595 8.7500 8.7551 k = 0.4359-0.0000-0.0000 ( 7508 PWs) bands (ev): -27.0672 -27.0672 -27.0636 -27.0636 -20.5849 -20.5849 -20.5198 -20.5198 -18.8423 -18.8423 -18.8300 -18.8300 -18.7968 -18.7968 -18.6959 -18.6959 -10.7966 -10.7922 -10.7903 -10.7816 -10.5477 -10.5463 -10.5397 -10.5345 -10.5193 -10.5180 -10.5060 -10.5038 -6.9484 -6.9484 -6.9311 -6.9309 -6.7003 -6.7001 -6.3473 -6.3471 -3.6577 -3.6573 -3.6340 -3.6260 -3.5613 -3.5543 -3.0355 -3.0352 -1.8533 -1.8401 -1.8140 -1.8080 -1.7626 -1.7542 -1.6953 -1.6893 -1.6568 -1.6502 -1.5808 -1.5626 -1.4785 -1.4727 -0.9925 -0.9920 -0.9669 -0.9666 -0.8162 -0.8159 6.8387 6.8392 7.6641 7.6641 7.8595 7.8602 8.6593 8.6614 8.6629 8.6636 8.7930 8.7980 k = 0.4487-0.0000-0.0000 ( 7504 PWs) bands (ev): -27.0670 -27.0670 -27.0634 -27.0634 -20.5838 -20.5838 -20.5187 -20.5187 -18.8436 -18.8436 -18.8313 -18.8313 -18.7967 -18.7967 -18.6957 -18.6957 -10.7968 -10.7932 -10.7902 -10.7831 -10.5481 -10.5465 -10.5411 -10.5364 -10.5192 -10.5182 -10.5059 -10.5041 -6.9489 -6.9489 -6.9343 -6.9341 -6.7012 -6.7010 -6.3456 -6.3455 -3.6611 -3.6607 -3.6295 -3.6217 -3.5688 -3.5619 -3.0343 -3.0340 -1.8516 -1.8407 -1.8130 -1.8081 -1.7628 -1.7559 -1.6927 -1.6887 -1.6494 -1.6407 -1.5847 -1.5673 -1.4817 -1.4767 -0.9924 -0.9920 -0.9673 -0.9671 -0.8157 -0.8155 6.9268 6.9273 7.6754 7.6755 7.7863 7.7869 8.6684 8.6691 8.6695 8.6703 8.7905 8.7912 k = 0.4615-0.0000-0.0000 ( 7498 PWs) bands (ev): -27.0668 -27.0668 -27.0632 -27.0632 -20.5830 -20.5830 -20.5178 -20.5178 -18.8446 -18.8446 -18.8323 -18.8323 -18.7967 -18.7966 -18.6956 -18.6956 -10.7969 -10.7942 -10.7899 -10.7846 -10.5482 -10.5466 -10.5421 -10.5382 -10.5191 -10.5183 -10.5058 -10.5045 -6.9494 -6.9494 -6.9368 -6.9367 -6.7019 -6.7018 -6.3443 -6.3442 -3.6637 -3.6634 -3.6247 -3.6175 -3.5756 -3.5690 -3.0333 -3.0330 -1.8499 -1.8415 -1.8120 -1.8082 -1.7628 -1.7576 -1.6909 -1.6883 -1.6414 -1.6316 -1.5895 -1.5734 -1.4835 -1.4796 -0.9924 -0.9921 -0.9676 -0.9674 -0.8154 -0.8152 7.0093 7.0097 7.6841 7.6842 7.7152 7.7157 8.6751 8.6763 8.6766 8.6773 8.7678 8.7685 k = 0.4744-0.0000-0.0000 ( 7508 PWs) bands (ev): -27.0667 -27.0667 -27.0631 -27.0631 -20.5825 -20.5825 -20.5171 -20.5171 -18.8453 -18.8453 -18.8330 -18.8330 -18.7966 -18.7966 -18.6955 -18.6955 -10.7968 -10.7950 -10.7894 -10.7858 -10.5482 -10.5468 -10.5427 -10.5398 -10.5190 -10.5185 -10.5057 -10.5048 -6.9497 -6.9497 -6.9387 -6.9386 -6.7024 -6.7023 -6.3434 -6.3433 -3.6656 -3.6654 -3.6200 -3.6139 -3.5810 -3.5754 -3.0325 -3.0324 -1.8482 -1.8425 -1.8111 -1.8086 -1.7627 -1.7591 -1.6897 -1.6881 -1.6335 -1.6235 -1.5945 -1.5804 -1.4844 -1.4818 -0.9923 -0.9921 -0.9678 -0.9677 -0.8151 -0.8150 7.0816 7.0820 7.6509 7.6513 7.6903 7.6904 8.6797 8.6804 8.6861 8.6868 8.7475 8.7481 k = 0.4872-0.0000-0.0000 ( 7510 PWs) bands (ev): -27.0667 -27.0667 -27.0631 -27.0631 -20.5821 -20.5821 -20.5168 -20.5168 -18.8458 -18.8457 -18.8335 -18.8335 -18.7966 -18.7966 -18.6955 -18.6955 -10.7966 -10.7956 -10.7888 -10.7870 -10.5480 -10.5472 -10.5427 -10.5411 -10.5189 -10.5186 -10.5055 -10.5051 -6.9499 -6.9499 -6.9397 -6.9397 -6.7027 -6.7026 -6.3429 -6.3428 -3.6667 -3.6666 -3.6157 -3.6119 -3.5842 -3.5806 -3.0320 -3.0320 -1.8466 -1.8437 -1.8103 -1.8090 -1.7622 -1.7604 -1.6888 -1.6881 -1.6259 -1.6185 -1.5973 -1.5878 -1.4846 -1.4832 -0.9922 -0.9921 -0.9679 -0.9678 -0.8149 -0.8149 7.1349 7.1352 7.6024 7.6027 7.6940 7.6940 8.6825 8.6828 8.6973 8.6980 8.7299 8.7305 k = 0.5000-0.0000-0.0000 ( 7514 PWs) bands (ev): -27.0666 -27.0666 -27.0630 -27.0630 -20.5820 -20.5820 -20.5166 -20.5166 -18.8459 -18.8459 -18.8336 -18.8336 -18.7966 -18.7966 -18.6955 -18.6955 -10.7962 -10.7962 -10.7880 -10.7880 -10.5476 -10.5476 -10.5421 -10.5421 -10.5187 -10.5187 -10.5053 -10.5053 -6.9499 -6.9499 -6.9401 -6.9401 -6.7028 -6.7028 -6.3427 -6.3427 -3.6671 -3.6671 -3.6126 -3.6126 -3.5840 -3.5840 -3.0319 -3.0319 -1.8451 -1.8451 -1.8096 -1.8096 -1.7614 -1.7614 -1.6883 -1.6883 -1.6199 -1.6199 -1.5945 -1.5945 -1.4842 -1.4842 -0.9922 -0.9922 -0.9679 -0.9679 -0.8149 -0.8149 7.1556 7.1556 7.5836 7.5836 7.6952 7.6952 8.6835 8.6835 8.7064 8.7064 8.7192 8.7192 k = 0.5000-0.0000-0.0000 ( 7514 PWs) bands (ev): -27.0666 -27.0666 -27.0630 -27.0630 -20.5820 -20.5820 -20.5166 -20.5166 -18.8459 -18.8459 -18.8336 -18.8336 -18.7966 -18.7966 -18.6955 -18.6955 -10.7962 -10.7962 -10.7880 -10.7880 -10.5476 -10.5476 -10.5421 -10.5421 -10.5187 -10.5187 -10.5053 -10.5053 -6.9499 -6.9499 -6.9401 -6.9401 -6.7028 -6.7028 -6.3427 -6.3427 -3.6671 -3.6671 -3.6126 -3.6126 -3.5840 -3.5840 -3.0319 -3.0319 -1.8451 -1.8451 -1.8096 -1.8096 -1.7614 -1.7614 -1.6883 -1.6883 -1.6199 -1.6199 -1.5945 -1.5945 -1.4842 -1.4842 -0.9922 -0.9922 -0.9679 -0.9679 -0.8149 -0.8149 7.1556 7.1556 7.5836 7.5836 7.6952 7.6952 8.6835 8.6835 8.7064 8.7064 8.7192 8.7192 k = 0.5000 0.0127-0.0000 ( 7512 PWs) bands (ev): -27.0666 -27.0666 -27.0630 -27.0630 -20.5820 -20.5820 -20.5166 -20.5166 -18.8459 -18.8459 -18.8336 -18.8336 -18.7966 -18.7966 -18.6955 -18.6955 -10.7966 -10.7959 -10.7884 -10.7875 -10.5477 -10.5476 -10.5423 -10.5419 -10.5193 -10.5183 -10.5058 -10.5046 -6.9522 -6.9515 -6.9385 -6.9378 -6.7027 -6.7027 -6.3428 -6.3428 -3.6672 -3.6671 -3.6129 -3.6126 -3.5840 -3.5839 -3.0319 -3.0319 -1.8449 -1.8447 -1.8097 -1.8093 -1.7616 -1.7613 -1.6887 -1.6879 -1.6198 -1.6194 -1.5946 -1.5944 -1.4843 -1.4837 -0.9926 -0.9926 -0.9688 -0.9684 -0.8145 -0.8140 7.1568 7.1568 7.5851 7.5851 7.6959 7.6959 8.6743 8.6746 8.7055 8.7056 8.7300 8.7306 k = 0.5000 0.0254-0.0000 ( 7504 PWs) bands (ev): -27.0666 -27.0666 -27.0630 -27.0630 -20.5819 -20.5819 -20.5166 -20.5166 -18.8459 -18.8459 -18.8336 -18.8336 -18.7966 -18.7966 -18.6955 -18.6955 -10.7971 -10.7958 -10.7887 -10.7870 -10.5480 -10.5477 -10.5425 -10.5417 -10.5199 -10.5181 -10.5062 -10.5038 -6.9562 -6.9553 -6.9346 -6.9338 -6.7024 -6.7024 -6.3432 -6.3432 -3.6674 -3.6672 -3.6135 -3.6128 -3.5840 -3.5839 -3.0318 -3.0318 -1.8443 -1.8437 -1.8095 -1.8087 -1.7616 -1.7611 -1.6889 -1.6875 -1.6190 -1.6183 -1.5947 -1.5943 -1.4842 -1.4830 -0.9938 -0.9937 -0.9710 -0.9702 -0.8130 -0.8120 7.1604 7.1605 7.5896 7.5897 7.6977 7.6978 8.6587 8.6590 8.7028 8.7029 8.7515 8.7523 k = 0.5000 0.0381-0.0000 ( 7500 PWs) bands (ev): -27.0666 -27.0666 -27.0630 -27.0630 -20.5819 -20.5819 -20.5166 -20.5166 -18.8459 -18.8459 -18.8336 -18.8336 -18.7966 -18.7966 -18.6956 -18.6956 -10.7977 -10.7958 -10.7890 -10.7865 -10.5483 -10.5480 -10.5427 -10.5415 -10.5207 -10.5181 -10.5064 -10.5028 -6.9606 -6.9597 -6.9302 -6.9293 -6.7020 -6.7019 -6.3440 -6.3440 -3.6678 -3.6674 -3.6143 -3.6133 -3.5840 -3.5839 -3.0318 -3.0318 -1.8431 -1.8423 -1.8090 -1.8078 -1.7616 -1.7608 -1.6892 -1.6870 -1.6177 -1.6165 -1.5948 -1.5942 -1.4838 -1.4820 -0.9957 -0.9956 -0.9743 -0.9732 -0.8104 -0.8089 7.1665 7.1666 7.5971 7.5973 7.7008 7.7009 8.6433 8.6436 8.6984 8.6985 8.7769 8.7778 k = 0.5000 0.0508-0.0000 ( 7508 PWs) bands (ev): -27.0666 -27.0666 -27.0630 -27.0630 -20.5818 -20.5818 -20.5166 -20.5166 -18.8460 -18.8459 -18.8337 -18.8337 -18.7966 -18.7966 -18.6957 -18.6957 -10.7985 -10.7960 -10.7892 -10.7859 -10.5488 -10.5483 -10.5429 -10.5414 -10.5216 -10.5182 -10.5066 -10.5018 -6.9651 -6.9642 -6.9257 -6.9248 -6.7014 -6.7013 -6.3450 -6.3450 -3.6684 -3.6679 -3.6154 -3.6140 -3.5840 -3.5838 -3.0317 -3.0317 -1.8414 -1.8404 -1.8082 -1.8066 -1.7615 -1.7604 -1.6894 -1.6865 -1.6160 -1.6143 -1.5947 -1.5941 -1.4830 -1.4806 -0.9984 -0.9983 -0.9786 -0.9773 -0.8069 -0.8050 7.1751 7.1751 7.6076 7.6079 7.7051 7.7052 8.6292 8.6294 8.6924 8.6926 8.8048 8.8059 k = 0.5000 0.0635-0.0000 ( 7520 PWs) bands (ev): -27.0666 -27.0666 -27.0630 -27.0630 -20.5816 -20.5816 -20.5166 -20.5166 -18.8460 -18.8460 -18.8337 -18.8337 -18.7966 -18.7966 -18.6959 -18.6959 -10.7993 -10.7962 -10.7894 -10.7854 -10.5493 -10.5488 -10.5432 -10.5413 -10.5225 -10.5184 -10.5066 -10.5007 -6.9696 -6.9687 -6.9211 -6.9202 -6.7006 -6.7005 -6.3463 -6.3463 -3.6692 -3.6685 -3.6166 -3.6148 -3.5840 -3.5838 -3.0316 -3.0316 -1.8393 -1.8381 -1.8070 -1.8051 -1.7614 -1.7601 -1.6895 -1.6859 -1.6141 -1.6117 -1.5943 -1.5940 -1.4820 -1.4789 -1.0019 -1.0019 -0.9836 -0.9822 -0.8026 -0.8004 7.1860 7.1861 7.6211 7.6215 7.7106 7.7107 8.6168 8.6169 8.6851 8.6854 8.8351 8.8362 k = 0.5000 0.0762-0.0000 ( 7526 PWs) bands (ev): -27.0666 -27.0666 -27.0630 -27.0630 -20.5815 -20.5814 -20.5166 -20.5166 -18.8461 -18.8460 -18.8337 -18.8337 -18.7966 -18.7966 -18.6960 -18.6960 -10.8002 -10.7965 -10.7895 -10.7849 -10.5499 -10.5494 -10.5434 -10.5413 -10.5234 -10.5187 -10.5065 -10.4995 -6.9741 -6.9731 -6.9166 -6.9157 -6.6996 -6.6995 -6.3478 -6.3478 -3.6702 -3.6694 -3.6179 -3.6158 -3.5839 -3.5837 -3.0315 -3.0314 -1.8368 -1.8355 -1.8054 -1.8030 -1.7612 -1.7596 -1.6896 -1.6854 -1.6122 -1.6089 -1.5938 -1.5936 -1.4806 -1.4769 -1.0063 -1.0062 -0.9891 -0.9877 -0.7978 -0.7952 7.1992 7.1993 7.6376 7.6380 7.7173 7.7174 8.6061 8.6061 8.6767 8.6770 8.8675 8.8688 k = 0.5000 0.0889-0.0000 ( 7526 PWs) bands (ev): -27.0665 -27.0665 -27.0630 -27.0630 -20.5813 -20.5813 -20.5165 -20.5165 -18.8461 -18.8461 -18.8338 -18.8338 -18.7966 -18.7966 -18.6962 -18.6962 -10.8012 -10.7969 -10.7896 -10.7844 -10.5506 -10.5501 -10.5436 -10.5413 -10.5242 -10.5191 -10.5064 -10.4984 -6.9784 -6.9775 -6.9122 -6.9113 -6.6984 -6.6984 -6.3497 -6.3496 -3.6715 -3.6706 -3.6192 -3.6167 -3.5839 -3.5837 -3.0313 -3.0313 -1.8340 -1.8326 -1.8032 -1.8004 -1.7610 -1.7591 -1.6896 -1.6848 -1.6107 -1.6062 -1.5933 -1.5922 -1.4788 -1.4744 -1.0116 -1.0114 -0.9948 -0.9936 -0.7925 -0.7898 7.2148 7.2149 7.6569 7.6574 7.7251 7.7252 8.5969 8.5970 8.6672 8.6676 8.9021 8.9034 k = 0.5000 0.1016-0.0000 ( 7518 PWs) bands (ev): -27.0665 -27.0665 -27.0630 -27.0630 -20.5810 -20.5810 -20.5165 -20.5165 -18.8462 -18.8461 -18.8339 -18.8338 -18.7966 -18.7966 -18.6964 -18.6964 -10.8022 -10.7973 -10.7897 -10.7840 -10.5513 -10.5508 -10.5438 -10.5414 -10.5251 -10.5196 -10.5061 -10.4973 -6.9827 -6.9818 -6.9079 -6.9070 -6.6971 -6.6970 -6.3517 -6.3517 -3.6732 -3.6722 -3.6204 -3.6177 -3.5838 -3.5836 -3.0311 -3.0311 -1.8310 -1.8296 -1.8004 -1.7972 -1.7606 -1.7586 -1.6896 -1.6842 -1.6097 -1.6040 -1.5922 -1.5901 -1.4767 -1.4716 -1.0177 -1.0173 -1.0008 -0.9997 -0.7870 -0.7840 7.2327 7.2328 7.6792 7.6798 7.7339 7.7340 8.5893 8.5895 8.6570 8.6575 8.9387 8.9401 k = 0.5000 0.1143-0.0000 ( 7518 PWs) bands (ev): -27.0665 -27.0665 -27.0630 -27.0630 -20.5808 -20.5808 -20.5165 -20.5165 -18.8462 -18.8462 -18.8339 -18.8339 -18.7966 -18.7966 -18.6967 -18.6967 -10.8032 -10.7978 -10.7898 -10.7836 -10.5520 -10.5517 -10.5440 -10.5415 -10.5258 -10.5202 -10.5059 -10.4962 -6.9868 -6.9859 -6.9037 -6.9028 -6.6955 -6.6955 -6.3540 -6.3540 -3.6752 -3.6742 -3.6215 -3.6185 -3.5837 -3.5835 -3.0310 -3.0309 -1.8281 -1.8266 -1.7967 -1.7932 -1.7602 -1.7579 -1.6896 -1.6836 -1.6093 -1.6026 -1.5903 -1.5875 -1.4741 -1.4684 -1.0245 -1.0239 -1.0069 -1.0060 -0.7813 -0.7782 7.2528 7.2529 7.7043 7.7049 7.7438 7.7440 8.5833 8.5836 8.6462 8.6466 8.9772 8.9787 k = 0.5000 0.1271-0.0000 ( 7524 PWs) bands (ev): -27.0664 -27.0664 -27.0630 -27.0630 -20.5805 -20.5805 -20.5164 -20.5164 -18.8463 -18.8463 -18.8340 -18.8340 -18.7967 -18.7966 -18.6969 -18.6969 -10.8042 -10.7984 -10.7898 -10.7832 -10.5528 -10.5526 -10.5442 -10.5417 -10.5265 -10.5208 -10.5056 -10.4952 -6.9908 -6.9900 -6.8996 -6.8988 -6.6938 -6.6937 -6.3566 -6.3565 -3.6777 -3.6765 -3.6224 -3.6192 -3.5836 -3.5835 -3.0308 -3.0307 -1.8253 -1.8237 -1.7921 -1.7884 -1.7596 -1.7572 -1.6895 -1.6830 -1.6093 -1.6020 -1.5878 -1.5844 -1.4711 -1.4648 -1.0319 -1.0311 -1.0130 -1.0123 -0.7755 -0.7724 7.2750 7.2752 7.7322 7.7329 7.7547 7.7549 8.5788 8.5792 8.6347 8.6352 9.0176 9.0191 k = 0.5000 0.1398-0.0000 ( 7520 PWs) bands (ev): -27.0664 -27.0664 -27.0629 -27.0629 -20.5803 -20.5803 -20.5164 -20.5164 -18.8464 -18.8463 -18.8340 -18.8340 -18.7967 -18.7967 -18.6972 -18.6972 -10.8052 -10.7990 -10.7898 -10.7830 -10.5536 -10.5536 -10.5444 -10.5420 -10.5271 -10.5215 -10.5052 -10.4942 -6.9947 -6.9939 -6.8957 -6.8949 -6.6919 -6.6918 -6.3593 -6.3592 -3.6805 -3.6794 -3.6230 -3.6196 -3.5835 -3.5834 -3.0305 -3.0305 -1.8227 -1.8210 -1.7865 -1.7827 -1.7588 -1.7564 -1.6894 -1.6824 -1.6097 -1.6020 -1.5849 -1.5813 -1.4678 -1.4608 -1.0396 -1.0388 -1.0193 -1.0188 -0.7698 -0.7666 7.2993 7.2995 7.7627 7.7634 7.7667 7.7668 8.5758 8.5762 8.6228 8.6234 9.0596 9.0610 k = 0.5000 0.1525-0.0000 ( 7528 PWs) bands (ev): -27.0664 -27.0664 -27.0629 -27.0629 -20.5800 -20.5800 -20.5164 -20.5164 -18.8465 -18.8464 -18.8341 -18.8341 -18.7967 -18.7967 -18.6975 -18.6975 -10.8062 -10.7996 -10.7899 -10.7828 -10.5546 -10.5544 -10.5447 -10.5423 -10.5277 -10.5223 -10.5049 -10.4934 -6.9985 -6.9976 -6.8920 -6.8912 -6.6898 -6.6897 -6.3622 -6.3621 -3.6837 -3.6826 -3.6234 -3.6199 -3.5834 -3.5833 -3.0303 -3.0302 -1.8203 -1.8186 -1.7800 -1.7765 -1.7575 -1.7554 -1.6892 -1.6818 -1.6104 -1.6024 -1.5819 -1.5781 -1.4641 -1.4565 -1.0478 -1.0469 -1.0257 -1.0253 -0.7642 -0.7610 7.3256 7.3258 7.7791 7.7792 7.7961 7.7969 8.5741 8.5745 8.6105 8.6111 9.1031 9.1043 k = 0.5000 0.1652-0.0000 ( 7528 PWs) bands (ev): -27.0663 -27.0663 -27.0629 -27.0629 -20.5797 -20.5797 -20.5163 -20.5163 -18.8465 -18.8465 -18.8342 -18.8342 -18.7967 -18.7967 -18.6978 -18.6978 -10.8072 -10.8003 -10.7899 -10.7826 -10.5557 -10.5553 -10.5449 -10.5426 -10.5282 -10.5230 -10.5044 -10.4925 -7.0021 -7.0013 -6.8885 -6.8877 -6.6876 -6.6875 -6.3653 -6.3652 -3.6872 -3.6862 -3.6234 -3.6200 -3.5833 -3.5832 -3.0300 -3.0300 -1.8182 -1.8163 -1.7729 -1.7705 -1.7551 -1.7540 -1.6890 -1.6811 -1.6112 -1.6030 -1.5791 -1.5752 -1.4601 -1.4521 -1.0561 -1.0552 -1.0320 -1.0318 -0.7587 -0.7555 7.3539 7.3540 7.7924 7.7926 7.8319 7.8328 8.5736 8.5742 8.5978 8.5984 9.1476 9.1484 k = 0.5000 0.1779-0.0000 ( 7524 PWs) bands (ev): -27.0663 -27.0663 -27.0629 -27.0629 -20.5794 -20.5794 -20.5163 -20.5163 -18.8466 -18.8466 -18.8343 -18.8343 -18.7967 -18.7967 -18.6981 -18.6981 -10.8081 -10.8011 -10.7899 -10.7825 -10.5567 -10.5561 -10.5451 -10.5430 -10.5287 -10.5238 -10.5040 -10.4918 -7.0055 -7.0047 -6.8852 -6.8844 -6.6852 -6.6851 -6.3685 -6.3684 -3.6910 -3.6901 -3.6233 -3.6198 -3.5832 -3.5831 -3.0297 -3.0297 -1.8163 -1.8143 -1.7659 -1.7657 -1.7515 -1.7505 -1.6888 -1.6805 -1.6121 -1.6038 -1.5764 -1.5725 -1.4560 -1.4475 -1.0645 -1.0637 -1.0384 -1.0382 -0.7534 -0.7502 7.3839 7.3841 7.8065 7.8067 7.8701 7.8710 8.5744 8.5750 8.5847 8.5854 9.1926 9.1926 k = 0.5000 0.1906-0.0000 ( 7530 PWs) bands (ev): -27.0662 -27.0662 -27.0629 -27.0629 -20.5791 -20.5791 -20.5162 -20.5162 -18.8467 -18.8466 -18.8343 -18.8343 -18.7967 -18.7967 -18.6985 -18.6985 -10.8090 -10.8018 -10.7898 -10.7824 -10.5578 -10.5569 -10.5453 -10.5433 -10.5292 -10.5246 -10.5035 -10.4912 -7.0088 -7.0080 -6.8820 -6.8814 -6.6826 -6.6825 -6.3718 -6.3717 -3.6950 -3.6942 -3.6229 -3.6195 -3.5830 -3.5830 -3.0295 -3.0294 -1.8146 -1.8123 -1.7629 -1.7607 -1.7463 -1.7431 -1.6885 -1.6799 -1.6131 -1.6047 -1.5741 -1.5701 -1.4518 -1.4430 -1.0730 -1.0723 -1.0447 -1.0446 -0.7484 -0.7452 7.4156 7.4158 7.8211 7.8213 7.9105 7.9116 8.5711 8.5719 8.5762 8.5769 9.2365 9.2375 k = 0.5000 0.2033-0.0000 ( 7534 PWs) bands (ev): -27.0662 -27.0662 -27.0629 -27.0629 -20.5787 -20.5787 -20.5162 -20.5162 -18.8468 -18.8467 -18.8344 -18.8344 -18.7967 -18.7967 -18.6988 -18.6988 -10.8098 -10.8026 -10.7898 -10.7825 -10.5588 -10.5577 -10.5455 -10.5437 -10.5296 -10.5255 -10.5029 -10.4906 -7.0119 -7.0112 -6.8791 -6.8785 -6.6800 -6.6798 -6.3752 -6.3751 -3.6992 -3.6985 -3.6223 -3.6190 -3.5829 -3.5829 -3.0292 -3.0291 -1.8129 -1.8106 -1.7614 -1.7580 -1.7380 -1.7338 -1.6882 -1.6793 -1.6141 -1.6057 -1.5720 -1.5681 -1.4477 -1.4386 -1.0816 -1.0809 -1.0508 -1.0507 -0.7436 -0.7405 7.4489 7.4491 7.8361 7.8363 7.9531 7.9542 8.5571 8.5579 8.5790 8.5798 9.2797 9.2818 k = 0.5000 0.2160-0.0000 ( 7522 PWs) bands (ev): -27.0661 -27.0661 -27.0628 -27.0628 -20.5784 -20.5784 -20.5161 -20.5161 -18.8469 -18.8468 -18.8345 -18.8345 -18.7967 -18.7967 -18.6991 -18.6991 -10.8106 -10.8034 -10.7897 -10.7825 -10.5597 -10.5585 -10.5457 -10.5441 -10.5300 -10.5263 -10.5024 -10.4902 -7.0148 -7.0141 -6.8764 -6.8758 -6.6772 -6.6771 -6.3786 -6.3785 -3.7034 -3.7029 -3.6216 -3.6184 -3.5828 -3.5828 -3.0289 -3.0288 -1.8113 -1.8089 -1.7603 -1.7565 -1.7278 -1.7234 -1.6878 -1.6787 -1.6152 -1.6068 -1.5702 -1.5663 -1.4438 -1.4346 -1.0900 -1.0895 -1.0566 -1.0566 -0.7390 -0.7360 7.4836 7.4837 7.8515 7.8517 7.9976 7.9988 8.5426 8.5435 8.5827 8.5836 9.3223 9.3253 k = 0.5000 0.2287-0.0000 ( 7526 PWs) bands (ev): -27.0661 -27.0661 -27.0628 -27.0628 -20.5781 -20.5781 -20.5161 -20.5161 -18.8470 -18.8469 -18.8345 -18.8345 -18.7968 -18.7968 -18.6994 -18.6994 -10.8113 -10.8042 -10.7896 -10.7826 -10.5607 -10.5593 -10.5459 -10.5445 -10.5304 -10.5271 -10.5017 -10.4899 -7.0175 -7.0169 -6.8739 -6.8734 -6.6744 -6.6743 -6.3821 -6.3820 -3.7077 -3.7072 -3.6207 -3.6178 -3.5827 -3.5827 -3.0286 -3.0285 -1.8099 -1.8074 -1.7595 -1.7555 -1.7165 -1.7123 -1.6874 -1.6779 -1.6162 -1.6079 -1.5687 -1.5649 -1.4404 -1.4311 -1.0984 -1.0980 -1.0622 -1.0621 -0.7348 -0.7319 7.5195 7.5197 7.8671 7.8673 8.0438 8.0450 8.5276 8.5285 8.5873 8.5882 9.3367 9.3385 k = 0.5000 0.2414-0.0000 ( 7528 PWs) bands (ev): -27.0660 -27.0660 -27.0628 -27.0628 -20.5778 -20.5778 -20.5161 -20.5161 -18.8470 -18.8470 -18.8346 -18.8346 -18.7968 -18.7968 -18.6997 -18.6997 -10.8119 -10.8050 -10.7895 -10.7828 -10.5616 -10.5600 -10.5461 -10.5448 -10.5308 -10.5279 -10.5011 -10.4896 -7.0200 -7.0194 -6.8717 -6.8712 -6.6716 -6.6714 -6.3856 -6.3855 -3.7119 -3.7116 -3.6198 -3.6170 -3.5826 -3.5826 -3.0283 -3.0282 -1.8085 -1.8059 -1.7588 -1.7548 -1.7046 -1.7010 -1.6869 -1.6769 -1.6172 -1.6091 -1.5674 -1.5638 -1.4375 -1.4281 -1.1067 -1.1064 -1.0673 -1.0673 -0.7308 -0.7281 7.5565 7.5566 7.8828 7.8830 8.0913 8.0926 8.5119 8.5128 8.5926 8.5936 9.2981 9.3003 k = 0.5000 0.2541-0.0000 ( 7532 PWs) bands (ev): -27.0660 -27.0660 -27.0628 -27.0628 -20.5775 -20.5775 -20.5160 -20.5160 -18.8471 -18.8471 -18.8347 -18.8347 -18.7968 -18.7968 -18.7000 -18.7000 -10.8125 -10.8059 -10.7894 -10.7830 -10.5624 -10.5607 -10.5462 -10.5452 -10.5312 -10.5287 -10.5005 -10.4894 -7.0224 -7.0218 -6.8696 -6.8691 -6.6687 -6.6685 -6.3890 -6.3889 -3.7161 -3.7158 -3.6188 -3.6163 -3.5825 -3.5825 -3.0280 -3.0279 -1.8071 -1.8046 -1.7582 -1.7542 -1.6924 -1.6904 -1.6862 -1.6747 -1.6181 -1.6103 -1.5663 -1.5629 -1.4353 -1.4260 -1.1147 -1.1145 -1.0721 -1.0720 -0.7272 -0.7246 7.5943 7.5944 7.8984 7.8986 8.1398 8.1411 8.4956 8.4965 8.5986 8.5997 9.2574 9.2596 k = 0.5000 0.2668-0.0000 ( 7536 PWs) bands (ev): -27.0660 -27.0660 -27.0628 -27.0628 -20.5772 -20.5772 -20.5160 -20.5160 -18.8472 -18.8472 -18.8348 -18.8347 -18.7968 -18.7968 -18.7003 -18.7003 -10.8129 -10.8067 -10.7893 -10.7832 -10.5631 -10.5614 -10.5464 -10.5455 -10.5315 -10.5295 -10.4998 -10.4893 -7.0246 -7.0240 -6.8678 -6.8673 -6.6659 -6.6657 -6.3923 -6.3922 -3.7200 -3.7198 -3.6179 -3.6155 -3.5824 -3.5824 -3.0277 -3.0276 -1.8059 -1.8034 -1.7576 -1.7537 -1.6863 -1.6834 -1.6791 -1.6689 -1.6189 -1.6114 -1.5654 -1.5622 -1.4339 -1.4248 -1.1223 -1.1222 -1.0763 -1.0763 -0.7239 -0.7214 7.6326 7.6327 7.9138 7.9140 8.1887 8.1901 8.4785 8.4794 8.6053 8.6065 9.2160 9.2180 k = 0.5000 0.2795-0.0000 ( 7520 PWs) bands (ev): -27.0659 -27.0659 -27.0628 -27.0628 -20.5769 -20.5769 -20.5160 -20.5160 -18.8473 -18.8472 -18.8348 -18.8348 -18.7968 -18.7968 -18.7006 -18.7006 -10.8133 -10.8075 -10.7891 -10.7835 -10.5637 -10.5621 -10.5465 -10.5458 -10.5318 -10.5302 -10.4991 -10.4893 -7.0265 -7.0260 -6.8661 -6.8657 -6.6631 -6.6630 -6.3955 -6.3954 -3.7238 -3.7236 -3.6169 -3.6147 -3.5823 -3.5823 -3.0274 -3.0273 -1.8047 -1.8022 -1.7571 -1.7533 -1.6856 -1.6807 -1.6663 -1.6586 -1.6196 -1.6126 -1.5647 -1.5618 -1.4334 -1.4245 -1.1295 -1.1295 -1.0801 -1.0800 -0.7209 -0.7186 7.6711 7.6711 7.9289 7.9291 8.2375 8.2390 8.4607 8.4616 8.6126 8.6139 9.1750 9.1769 k = 0.5000 0.2922-0.0000 ( 7520 PWs) bands (ev): -27.0659 -27.0659 -27.0628 -27.0628 -20.5767 -20.5767 -20.5160 -20.5160 -18.8473 -18.8473 -18.8349 -18.8349 -18.7968 -18.7968 -18.7008 -18.7008 -10.8137 -10.8083 -10.7889 -10.7838 -10.5643 -10.5627 -10.5466 -10.5461 -10.5322 -10.5308 -10.4983 -10.4894 -7.0283 -7.0278 -6.8646 -6.8643 -6.6605 -6.6604 -6.3985 -6.3984 -3.7273 -3.7272 -3.6159 -3.6140 -3.5823 -3.5822 -3.0271 -3.0271 -1.8035 -1.8013 -1.7565 -1.7530 -1.6850 -1.6797 -1.6534 -1.6468 -1.6201 -1.6137 -1.5641 -1.5615 -1.4337 -1.4251 -1.1363 -1.1362 -1.0833 -1.0833 -0.7182 -0.7161 7.7093 7.7094 7.9435 7.9436 8.2853 8.2869 8.4421 8.4429 8.6207 8.6220 9.1355 9.1372 k = 0.5000 0.3049-0.0000 ( 7520 PWs) bands (ev): -27.0659 -27.0659 -27.0627 -27.0627 -20.5765 -20.5765 -20.5159 -20.5159 -18.8474 -18.8473 -18.8349 -18.8349 -18.7968 -18.7968 -18.7011 -18.7011 -10.8139 -10.8090 -10.7887 -10.7841 -10.5648 -10.5633 -10.5468 -10.5464 -10.5325 -10.5314 -10.4976 -10.4896 -7.0298 -7.0295 -6.8633 -6.8630 -6.6581 -6.6579 -6.4012 -6.4011 -3.7304 -3.7304 -3.6150 -3.6133 -3.5822 -3.5822 -3.0269 -3.0268 -1.8025 -1.8004 -1.7560 -1.7528 -1.6844 -1.6793 -1.6407 -1.6349 -1.6204 -1.6148 -1.5637 -1.5614 -1.4350 -1.4268 -1.1425 -1.1423 -1.0861 -1.0861 -0.7158 -0.7139 7.7468 7.7468 7.9575 7.9576 8.3313 8.3329 8.4227 8.4236 8.6296 8.6310 9.0983 9.0998 k = 0.5000 0.3176-0.0000 ( 7528 PWs) bands (ev): -27.0658 -27.0658 -27.0627 -27.0627 -20.5763 -20.5763 -20.5159 -20.5159 -18.8474 -18.8474 -18.8350 -18.8350 -18.7968 -18.7968 -18.7013 -18.7013 -10.8140 -10.8098 -10.7884 -10.7844 -10.5652 -10.5638 -10.5469 -10.5466 -10.5327 -10.5320 -10.4969 -10.4899 -7.0312 -7.0309 -6.8622 -6.8620 -6.6558 -6.6557 -6.4037 -6.4037 -3.7333 -3.7332 -3.6142 -3.6127 -3.5821 -3.5821 -3.0267 -3.0266 -1.8016 -1.7997 -1.7555 -1.7526 -1.6839 -1.6791 -1.6286 -1.6250 -1.6188 -1.6156 -1.5634 -1.5614 -1.4369 -1.4293 -1.1479 -1.1477 -1.0884 -1.0884 -0.7137 -0.7121 7.7828 7.7828 7.9707 7.9708 8.3740 8.3757 8.4030 8.4037 8.6394 8.6409 9.0642 9.0656 k = 0.5000 0.3303-0.0000 ( 7532 PWs) bands (ev): -27.0658 -27.0658 -27.0627 -27.0627 -20.5761 -20.5761 -20.5159 -20.5159 -18.8475 -18.8475 -18.8350 -18.8350 -18.7968 -18.7968 -18.7014 -18.7014 -10.8141 -10.8105 -10.7882 -10.7848 -10.5655 -10.5643 -10.5470 -10.5468 -10.5330 -10.5324 -10.4962 -10.4902 -7.0323 -7.0321 -6.8613 -6.8611 -6.6538 -6.6537 -6.4060 -6.4059 -3.7357 -3.7357 -3.6135 -3.6122 -3.5821 -3.5821 -3.0265 -3.0265 -1.8007 -1.7991 -1.7550 -1.7526 -1.6833 -1.6791 -1.6225 -1.6193 -1.6142 -1.6102 -1.5633 -1.5616 -1.4395 -1.4326 -1.1526 -1.1524 -1.0903 -1.0902 -0.7119 -0.7105 7.8164 7.8164 7.9831 7.9832 8.3828 8.3836 8.4125 8.4140 8.6504 8.6519 9.0341 9.0352 k = 0.5000 0.3430-0.0000 ( 7522 PWs) bands (ev): -27.0658 -27.0658 -27.0627 -27.0627 -20.5759 -20.5759 -20.5159 -20.5159 -18.8475 -18.8475 -18.8350 -18.8350 -18.7968 -18.7968 -18.7016 -18.7016 -10.8141 -10.8111 -10.7879 -10.7851 -10.5657 -10.5647 -10.5470 -10.5469 -10.5332 -10.5328 -10.4954 -10.4906 -7.0333 -7.0330 -6.8606 -6.8604 -6.6521 -6.6521 -6.4078 -6.4078 -3.7378 -3.7377 -3.6128 -3.6118 -3.5821 -3.5820 -3.0263 -3.0263 -1.8000 -1.7986 -1.7546 -1.7526 -1.6827 -1.6792 -1.6223 -1.6186 -1.6049 -1.6003 -1.5633 -1.5621 -1.4423 -1.4363 -1.1565 -1.1563 -1.0917 -1.0917 -0.7104 -0.7093 7.8465 7.8465 7.9947 7.9947 8.3635 8.3642 8.4449 8.4463 8.6623 8.6637 9.0085 9.0094 k = 0.5000 0.3557-0.0000 ( 7498 PWs) bands (ev): -27.0658 -27.0658 -27.0627 -27.0627 -20.5758 -20.5758 -20.5159 -20.5159 -18.8475 -18.8475 -18.8350 -18.8350 -18.7968 -18.7968 -18.7017 -18.7017 -10.8139 -10.8117 -10.7875 -10.7855 -10.5658 -10.5651 -10.5471 -10.5470 -10.5334 -10.5331 -10.4947 -10.4910 -7.0340 -7.0338 -6.8600 -6.8598 -6.6508 -6.6507 -6.4093 -6.4093 -3.7394 -3.7394 -3.6123 -3.6115 -3.5820 -3.5820 -3.0262 -3.0262 -1.7993 -1.7983 -1.7542 -1.7526 -1.6821 -1.6794 -1.6222 -1.6193 -1.5954 -1.5914 -1.5636 -1.5628 -1.4450 -1.4402 -1.1595 -1.1594 -1.0928 -1.0928 -0.7093 -0.7084 7.8718 7.8718 8.0050 8.0051 8.3458 8.3463 8.4704 8.4715 8.6744 8.6756 8.9880 8.9887 k = 0.5000 0.3685-0.0000 ( 7502 PWs) bands (ev): -27.0658 -27.0658 -27.0627 -27.0627 -20.5757 -20.5757 -20.5159 -20.5159 -18.8476 -18.8475 -18.8351 -18.8351 -18.7968 -18.7968 -18.7018 -18.7018 -10.8138 -10.8122 -10.7872 -10.7858 -10.5659 -10.5654 -10.5471 -10.5471 -10.5335 -10.5333 -10.4940 -10.4915 -7.0345 -7.0344 -6.8596 -6.8595 -6.6498 -6.6497 -6.4104 -6.4104 -3.7405 -3.7405 -3.6118 -3.6113 -3.5820 -3.5820 -3.0261 -3.0261 -1.7988 -1.7981 -1.7538 -1.7527 -1.6815 -1.6797 -1.6219 -1.6200 -1.5874 -1.5844 -1.5642 -1.5637 -1.4472 -1.4438 -1.1616 -1.1616 -1.0936 -1.0936 -0.7084 -0.7078 7.8909 7.8909 8.0137 8.0138 8.3311 8.3315 8.4884 8.4893 8.6853 8.6861 8.9731 8.9736 k = 0.5000 0.3812-0.0000 ( 7496 PWs) bands (ev): -27.0657 -27.0657 -27.0627 -27.0627 -20.5757 -20.5757 -20.5159 -20.5159 -18.8476 -18.8476 -18.8351 -18.8351 -18.7968 -18.7968 -18.7018 -18.7018 -10.8135 -10.8127 -10.7869 -10.7862 -10.5659 -10.5656 -10.5472 -10.5471 -10.5335 -10.5334 -10.4933 -10.4921 -7.0348 -7.0347 -6.8593 -6.8592 -6.6492 -6.6492 -6.4110 -6.4110 -3.7412 -3.7412 -3.6115 -3.6113 -3.5820 -3.5819 -3.0260 -3.0260 -1.7984 -1.7981 -1.7534 -1.7529 -1.6810 -1.6801 -1.6216 -1.6206 -1.5815 -1.5798 -1.5649 -1.5648 -1.4483 -1.4465 -1.1629 -1.1629 -1.0940 -1.0940 -0.7078 -0.7075 7.9027 7.9028 8.0198 8.0198 8.3213 8.3215 8.4992 8.4996 8.6931 8.6935 8.9640 8.9643 k = 0.5000 0.3939-0.0000 ( 7496 PWs) bands (ev): -27.0657 -27.0657 -27.0627 -27.0627 -20.5757 -20.5757 -20.5159 -20.5159 -18.8476 -18.8476 -18.8351 -18.8351 -18.7968 -18.7968 -18.7018 -18.7018 -10.8131 -10.8131 -10.7865 -10.7865 -10.5658 -10.5658 -10.5472 -10.5472 -10.5335 -10.5335 -10.4927 -10.4927 -7.0348 -7.0348 -6.8592 -6.8592 -6.6490 -6.6490 -6.4112 -6.4112 -3.7415 -3.7415 -3.6113 -3.6113 -3.5819 -3.5819 -3.0260 -3.0260 -1.7982 -1.7982 -1.7531 -1.7531 -1.6805 -1.6805 -1.6212 -1.6212 -1.5787 -1.5787 -1.5654 -1.5654 -1.4481 -1.4481 -1.1634 -1.1634 -1.0942 -1.0942 -0.7075 -0.7075 7.9068 7.9068 8.0220 8.0220 8.3178 8.3178 8.5028 8.5028 8.6960 8.6960 8.9611 8.9611 k = 0.5000 0.3939-0.0000 ( 7496 PWs) bands (ev): -27.0657 -27.0657 -27.0627 -27.0627 -20.5757 -20.5757 -20.5159 -20.5159 -18.8476 -18.8476 -18.8351 -18.8351 -18.7968 -18.7968 -18.7018 -18.7018 -10.8131 -10.8131 -10.7865 -10.7865 -10.5658 -10.5658 -10.5472 -10.5472 -10.5335 -10.5335 -10.4927 -10.4927 -7.0348 -7.0348 -6.8592 -6.8592 -6.6490 -6.6490 -6.4112 -6.4112 -3.7415 -3.7415 -3.6113 -3.6113 -3.5819 -3.5819 -3.0260 -3.0260 -1.7982 -1.7982 -1.7531 -1.7531 -1.6805 -1.6805 -1.6212 -1.6212 -1.5787 -1.5787 -1.5654 -1.5654 -1.4481 -1.4481 -1.1634 -1.1634 -1.0942 -1.0942 -0.7075 -0.7075 7.9068 7.9068 8.0220 8.0220 8.3178 8.3178 8.5028 8.5028 8.6960 8.6960 8.9611 8.9611 k = 0.4872 0.3939-0.0000 ( 7492 PWs) bands (ev): -27.0658 -27.0658 -27.0627 -27.0627 -20.5758 -20.5758 -20.5160 -20.5160 -18.8474 -18.8474 -18.8349 -18.8349 -18.7968 -18.7968 -18.7018 -18.7018 -10.8136 -10.8125 -10.7869 -10.7859 -10.5662 -10.5651 -10.5473 -10.5467 -10.5336 -10.5334 -10.4927 -10.4927 -7.0347 -7.0346 -6.8589 -6.8589 -6.6489 -6.6489 -6.4113 -6.4113 -3.7410 -3.7410 -3.6111 -3.6110 -3.5821 -3.5821 -3.0262 -3.0259 -1.7993 -1.7984 -1.7538 -1.7532 -1.6812 -1.6803 -1.6218 -1.6206 -1.5792 -1.5786 -1.5663 -1.5650 -1.4476 -1.4472 -1.1633 -1.1632 -1.0938 -1.0937 -0.7077 -0.7075 7.8987 7.8989 8.0205 8.0206 8.3074 8.3086 8.5107 8.5120 8.7068 8.7070 8.9536 8.9537 k = 0.4744 0.3939-0.0000 ( 7492 PWs) bands (ev): -27.0658 -27.0658 -27.0628 -27.0628 -20.5762 -20.5762 -20.5164 -20.5164 -18.8470 -18.8470 -18.8346 -18.8346 -18.7968 -18.7968 -18.7018 -18.7018 -10.8139 -10.8116 -10.7872 -10.7852 -10.5664 -10.5643 -10.5472 -10.5461 -10.5336 -10.5331 -10.4928 -10.4926 -7.0342 -7.0341 -6.8581 -6.8581 -6.6488 -6.6487 -6.4117 -6.4117 -3.7395 -3.7394 -3.6103 -3.6100 -3.5826 -3.5826 -3.0265 -3.0260 -1.8015 -1.7998 -1.7552 -1.7540 -1.6823 -1.6806 -1.6225 -1.6201 -1.5802 -1.5791 -1.5678 -1.5653 -1.4456 -1.4448 -1.1630 -1.1628 -1.0926 -1.0923 -0.7080 -0.7077 7.8747 7.8751 8.0179 8.0181 8.2815 8.2835 8.5318 8.5340 8.7380 8.7383 8.9325 8.9327 k = 0.4615 0.3939-0.0000 ( 7508 PWs) bands (ev): -27.0659 -27.0659 -27.0629 -27.0629 -20.5769 -20.5769 -20.5170 -20.5170 -18.8463 -18.8463 -18.8339 -18.8339 -18.7967 -18.7967 -18.7018 -18.7018 -10.8141 -10.8106 -10.7872 -10.7842 -10.5664 -10.5633 -10.5468 -10.5452 -10.5335 -10.5328 -10.4928 -10.4926 -7.0335 -7.0333 -6.8568 -6.8568 -6.6486 -6.6484 -6.4123 -6.4122 -3.7370 -3.7369 -3.6088 -3.6084 -3.5834 -3.5834 -3.0270 -3.0262 -1.8050 -1.8025 -1.7573 -1.7555 -1.6838 -1.6813 -1.6233 -1.6196 -1.5817 -1.5800 -1.5699 -1.5661 -1.4422 -1.4410 -1.1625 -1.1623 -1.0906 -1.0902 -0.7086 -0.7081 7.8362 7.8366 8.0165 8.0167 8.2466 8.2489 8.5593 8.5619 8.7856 8.7860 8.9014 8.9016 k = 0.4487 0.3939-0.0000 ( 7498 PWs) bands (ev): -27.0661 -27.0661 -27.0630 -27.0630 -20.5778 -20.5778 -20.5179 -20.5179 -18.8453 -18.8452 -18.8330 -18.8330 -18.7967 -18.7967 -18.7018 -18.7018 -10.8141 -10.8095 -10.7870 -10.7831 -10.5661 -10.5622 -10.5461 -10.5441 -10.5333 -10.5323 -10.4929 -10.4926 -7.0324 -7.0321 -6.8549 -6.8549 -6.6482 -6.6480 -6.4130 -6.4130 -3.7335 -3.7333 -3.6068 -3.6062 -3.5845 -3.5845 -3.0275 -3.0265 -1.8096 -1.8065 -1.7602 -1.7576 -1.6857 -1.6824 -1.6241 -1.6191 -1.5837 -1.5816 -1.5726 -1.5674 -1.4374 -1.4359 -1.1618 -1.1615 -1.0877 -1.0872 -0.7093 -0.7087 7.7863 7.7867 8.0172 8.0175 8.2064 8.2088 8.5880 8.5907 8.8456 8.8460 8.8650 8.8653 k = 0.4359 0.3939-0.0000 ( 7510 PWs) bands (ev): -27.0663 -27.0663 -27.0632 -27.0632 -20.5790 -20.5790 -20.5191 -20.5191 -18.8440 -18.8440 -18.8319 -18.8319 -18.7966 -18.7966 -18.7018 -18.7018 -10.8139 -10.8082 -10.7867 -10.7818 -10.5657 -10.5609 -10.5451 -10.5429 -10.5330 -10.5316 -10.4929 -10.4926 -7.0310 -7.0307 -6.8526 -6.8526 -6.6477 -6.6475 -6.4140 -6.4140 -3.7290 -3.7288 -3.6041 -3.6033 -3.5859 -3.5859 -3.0282 -3.0270 -1.8153 -1.8116 -1.7636 -1.7602 -1.6880 -1.6838 -1.6252 -1.6185 -1.5861 -1.5837 -1.5759 -1.5693 -1.4313 -1.4295 -1.1610 -1.1606 -1.0840 -1.0834 -0.7102 -0.7095 7.7285 7.7290 8.0197 8.0200 8.1629 8.1653 8.6130 8.6158 8.8287 8.8290 8.9147 8.9153 k = 0.4231 0.3939-0.0000 ( 7518 PWs) bands (ev): -27.0665 -27.0665 -27.0634 -27.0634 -20.5805 -20.5805 -20.5205 -20.5205 -18.8424 -18.8424 -18.8306 -18.8306 -18.7965 -18.7965 -18.7018 -18.7018 -10.8135 -10.8068 -10.7861 -10.7803 -10.5650 -10.5595 -10.5437 -10.5415 -10.5327 -10.5308 -10.4930 -10.4926 -7.0293 -7.0290 -6.8497 -6.8497 -6.6472 -6.6469 -6.4153 -6.4152 -3.7236 -3.7233 -3.6009 -3.5999 -3.5877 -3.5876 -3.0291 -3.0276 -1.8220 -1.8180 -1.7677 -1.7633 -1.6905 -1.6856 -1.6264 -1.6179 -1.5892 -1.5865 -1.5796 -1.5716 -1.4240 -1.4220 -1.1599 -1.1595 -1.0795 -1.0787 -0.7114 -0.7105 7.6657 7.6662 8.0238 8.0241 8.1169 8.1192 8.6269 8.6292 8.8018 8.8024 8.9899 8.9907 k = 0.4103 0.3939-0.0000 ( 7518 PWs) bands (ev): -27.0668 -27.0668 -27.0637 -27.0637 -20.5822 -20.5822 -20.5221 -20.5221 -18.8406 -18.8406 -18.8291 -18.8290 -18.7963 -18.7963 -18.7018 -18.7018 -10.8130 -10.8053 -10.7854 -10.7787 -10.5640 -10.5579 -10.5421 -10.5401 -10.5322 -10.5297 -10.4931 -10.4926 -7.0274 -7.0270 -6.8463 -6.8463 -6.6465 -6.6461 -6.4167 -6.4166 -3.7172 -3.7170 -3.5972 -3.5959 -3.5897 -3.5894 -3.0301 -3.0284 -1.8297 -1.8254 -1.7722 -1.7669 -1.6933 -1.6877 -1.6278 -1.6173 -1.5927 -1.5901 -1.5838 -1.5742 -1.4156 -1.4134 -1.1587 -1.1582 -1.0743 -1.0734 -0.7127 -0.7117 7.5999 7.6003 8.0291 8.0294 8.0690 8.0712 8.6193 8.6207 8.7952 8.7967 9.0697 9.0705 k = 0.3974 0.3939-0.0000 ( 7518 PWs) bands (ev): -27.0671 -27.0671 -27.0640 -27.0640 -20.5841 -20.5841 -20.5239 -20.5239 -18.8386 -18.8385 -18.8274 -18.8273 -18.7960 -18.7960 -18.7018 -18.7018 -10.8123 -10.8036 -10.7845 -10.7770 -10.5629 -10.5564 -10.5402 -10.5387 -10.5316 -10.5283 -10.4931 -10.4926 -7.0251 -7.0247 -6.8424 -6.8424 -6.6457 -6.6453 -6.4183 -6.4183 -3.7099 -3.7097 -3.5942 -3.5925 -3.5909 -3.5903 -3.0313 -3.0294 -1.8382 -1.8337 -1.7772 -1.7708 -1.6963 -1.6899 -1.6296 -1.6166 -1.5969 -1.5945 -1.5884 -1.5770 -1.4062 -1.4038 -1.1573 -1.1568 -1.0683 -1.0673 -0.7143 -0.7131 7.5324 7.5328 8.0196 8.0217 8.0353 8.0357 8.5898 8.5904 8.8099 8.8122 9.1525 9.1535 k = 0.3846 0.3939-0.0000 ( 7510 PWs) bands (ev): -27.0674 -27.0674 -27.0643 -27.0643 -20.5862 -20.5862 -20.5260 -20.5259 -18.8363 -18.8363 -18.8255 -18.8255 -18.7957 -18.7957 -18.7018 -18.7017 -10.8115 -10.8019 -10.7835 -10.7752 -10.5616 -10.5547 -10.5380 -10.5372 -10.5308 -10.5265 -10.4932 -10.4926 -7.0226 -7.0221 -6.8380 -6.8379 -6.6449 -6.6444 -6.4202 -6.4201 -3.7018 -3.7015 -3.5955 -3.5950 -3.5865 -3.5859 -3.0327 -3.0306 -1.8475 -1.8429 -1.7826 -1.7752 -1.6994 -1.6924 -1.6319 -1.6160 -1.6016 -1.5997 -1.5932 -1.5800 -1.3959 -1.3934 -1.1558 -1.1552 -1.0616 -1.0604 -0.7160 -0.7147 7.4642 7.4645 7.9691 7.9711 8.0423 8.0426 8.5483 8.5483 8.8361 8.8389 9.2373 9.2384 k = 0.3718 0.3939-0.0000 ( 7514 PWs) bands (ev): -27.0677 -27.0677 -27.0647 -27.0647 -20.5885 -20.5885 -20.5282 -20.5282 -18.8338 -18.8338 -18.8236 -18.8236 -18.7953 -18.7953 -18.7017 -18.7017 -10.8105 -10.8000 -10.7824 -10.7733 -10.5602 -10.5530 -10.5358 -10.5356 -10.5299 -10.5245 -10.4932 -10.4926 -7.0199 -7.0194 -6.8331 -6.8331 -6.6439 -6.6434 -6.4222 -6.4222 -3.6928 -3.6926 -3.5983 -3.5980 -3.5810 -3.5800 -3.0342 -3.0320 -1.8575 -1.8528 -1.7884 -1.7800 -1.7027 -1.6950 -1.6347 -1.6157 -1.6068 -1.6056 -1.5982 -1.5830 -1.3848 -1.3821 -1.1542 -1.1536 -1.0542 -1.0530 -0.7181 -0.7166 7.3958 7.3962 7.9177 7.9195 8.0498 8.0502 8.5013 8.5017 8.8663 8.8694 9.2716 9.2733 k = 0.3590 0.3939-0.0000 ( 7510 PWs) bands (ev): -27.0681 -27.0681 -27.0650 -27.0650 -20.5910 -20.5910 -20.5306 -20.5306 -18.8311 -18.8311 -18.8216 -18.8216 -18.7947 -18.7947 -18.7017 -18.7017 -10.8094 -10.7982 -10.7811 -10.7713 -10.5586 -10.5514 -10.5344 -10.5330 -10.5287 -10.5221 -10.4932 -10.4926 -7.0170 -7.0164 -6.8277 -6.8277 -6.6428 -6.6423 -6.4245 -6.4244 -3.6831 -3.6830 -3.6015 -3.6014 -3.5748 -3.5736 -3.0360 -3.0337 -1.8680 -1.8634 -1.7945 -1.7851 -1.7060 -1.6977 -1.6382 -1.6162 -1.6127 -1.6119 -1.6029 -1.5857 -1.3729 -1.3701 -1.1525 -1.1518 -1.0462 -1.0449 -0.7203 -0.7188 7.3280 7.3283 7.8657 7.8674 8.0578 8.0581 8.4524 8.4531 8.8954 8.8988 9.2261 9.2279 k = 0.3462 0.3939-0.0000 ( 7530 PWs) bands (ev): -27.0685 -27.0685 -27.0655 -27.0655 -20.5936 -20.5936 -20.5331 -20.5331 -18.8283 -18.8282 -18.8197 -18.8196 -18.7940 -18.7940 -18.7017 -18.7017 -10.8082 -10.7962 -10.7797 -10.7693 -10.5570 -10.5497 -10.5329 -10.5304 -10.5271 -10.5195 -10.4932 -10.4926 -7.0138 -7.0132 -6.8220 -6.8219 -6.6417 -6.6412 -6.4270 -6.4269 -3.6727 -3.6726 -3.6050 -3.6050 -3.5679 -3.5665 -3.0380 -3.0355 -1.8791 -1.8745 -1.8008 -1.7904 -1.7094 -1.7004 -1.6425 -1.6206 -1.6191 -1.6171 -1.6061 -1.5881 -1.3603 -1.3574 -1.1507 -1.1500 -1.0376 -1.0363 -0.7228 -0.7211 7.2609 7.2612 7.8134 7.8149 8.0660 8.0663 8.4029 8.4038 8.9185 8.9221 9.1904 9.1923 k = 0.3333 0.3939-0.0000 ( 7522 PWs) bands (ev): -27.0690 -27.0690 -27.0659 -27.0659 -20.5964 -20.5964 -20.5358 -20.5358 -18.8253 -18.8253 -18.8178 -18.8177 -18.7930 -18.7930 -18.7016 -18.7016 -10.8068 -10.7942 -10.7782 -10.7672 -10.5552 -10.5481 -10.5314 -10.5280 -10.5249 -10.5167 -10.4932 -10.4926 -7.0105 -7.0099 -6.8157 -6.8156 -6.6405 -6.6399 -6.4296 -6.4295 -3.6617 -3.6615 -3.6090 -3.6087 -3.5604 -3.5590 -3.0403 -3.0377 -1.8905 -1.8860 -1.8073 -1.7960 -1.7128 -1.7032 -1.6477 -1.6281 -1.6259 -1.6225 -1.6069 -1.5900 -1.3470 -1.3441 -1.1488 -1.1481 -1.0286 -1.0271 -0.7256 -0.7238 7.1949 7.1951 7.7612 7.7626 8.0742 8.0746 8.3534 8.3545 8.9288 8.9323 9.1713 9.1729 k = 0.3205 0.3939-0.0000 ( 7520 PWs) bands (ev): -27.0694 -27.0694 -27.0663 -27.0663 -20.5993 -20.5993 -20.5386 -20.5386 -18.8222 -18.8221 -18.8160 -18.8160 -18.7918 -18.7918 -18.7016 -18.7016 -10.8054 -10.7923 -10.7766 -10.7652 -10.5535 -10.5465 -10.5296 -10.5258 -10.5221 -10.5137 -10.4931 -10.4925 -7.0071 -7.0064 -6.8090 -6.8089 -6.6392 -6.6386 -6.4325 -6.4324 -3.6504 -3.6498 -3.6133 -3.6125 -3.5524 -3.5508 -3.0427 -3.0400 -1.9023 -1.8979 -1.8140 -1.8018 -1.7163 -1.7061 -1.6538 -1.6364 -1.6333 -1.6293 -1.6064 -1.5915 -1.3333 -1.3303 -1.1469 -1.1462 -1.0190 -1.0175 -0.7287 -0.7268 7.1302 7.1304 7.7092 7.7105 8.0824 8.0827 8.3042 8.3056 8.9208 8.9238 9.1739 9.1750 k = 0.3077 0.3939-0.0000 ( 7516 PWs) bands (ev): -27.0699 -27.0699 -27.0668 -27.0668 -20.6023 -20.6023 -20.5415 -20.5415 -18.8190 -18.8189 -18.8144 -18.8144 -18.7904 -18.7903 -18.7015 -18.7015 -10.8039 -10.7903 -10.7750 -10.7631 -10.5517 -10.5450 -10.5277 -10.5236 -10.5190 -10.5105 -10.4929 -10.4924 -7.0035 -7.0028 -6.8019 -6.8018 -6.6379 -6.6372 -6.4356 -6.4354 -3.6392 -3.6375 -3.6178 -3.6159 -3.5438 -3.5422 -3.0454 -3.0427 -1.9143 -1.9101 -1.8207 -1.8077 -1.7198 -1.7089 -1.6608 -1.6453 -1.6410 -1.6371 -1.6054 -1.5925 -1.3190 -1.3160 -1.1450 -1.1443 -1.0091 -1.0075 -0.7321 -0.7300 7.0670 7.0672 7.6579 7.6590 8.0903 8.0906 8.2556 8.2571 8.8967 8.8991 9.1957 9.1962 k = 0.2949 0.3939-0.0000 ( 7520 PWs) bands (ev): -27.0704 -27.0704 -27.0673 -27.0673 -20.6054 -20.6054 -20.5445 -20.5445 -18.8157 -18.8156 -18.8130 -18.8130 -18.7886 -18.7886 -18.7015 -18.7014 -10.8022 -10.7883 -10.7733 -10.7611 -10.5501 -10.5436 -10.5256 -10.5213 -10.5157 -10.5073 -10.4927 -10.4923 -6.9998 -6.9992 -6.7945 -6.7943 -6.6364 -6.6357 -6.4388 -6.4386 -3.6310 -3.6248 -3.6227 -3.6161 -3.5348 -3.5330 -3.0483 -3.0455 -1.9265 -1.9224 -1.8275 -1.8137 -1.7235 -1.7118 -1.6686 -1.6547 -1.6490 -1.6455 -1.6041 -1.5930 -1.3042 -1.3012 -1.1430 -1.1423 -0.9988 -0.9972 -0.7358 -0.7336 7.0055 7.0056 7.6073 7.6083 8.0978 8.0980 8.2075 8.2092 8.8633 8.8652 9.2296 9.2297 k = 0.2821 0.3939-0.0000 ( 7532 PWs) bands (ev): -27.0709 -27.0709 -27.0678 -27.0678 -20.6086 -20.6086 -20.5475 -20.5475 -18.8123 -18.8123 -18.8119 -18.8118 -18.7865 -18.7865 -18.7014 -18.7014 -10.8006 -10.7864 -10.7715 -10.7591 -10.5485 -10.5424 -10.5232 -10.5188 -10.5124 -10.5040 -10.4923 -10.4921 -6.9961 -6.9954 -6.7866 -6.7864 -6.6350 -6.6342 -6.4422 -6.4421 -3.6311 -3.6277 -3.6116 -3.6078 -3.5253 -3.5235 -3.0514 -3.0486 -1.9388 -1.9348 -1.8343 -1.8197 -1.7274 -1.7148 -1.6771 -1.6644 -1.6573 -1.6543 -1.6027 -1.5932 -1.2890 -1.2859 -1.1410 -1.1403 -0.9882 -0.9866 -0.7398 -0.7375 6.9458 6.9459 7.5578 7.5587 8.1046 8.1049 8.1602 8.1620 8.8258 8.8273 9.2698 9.2703 k = 0.2692 0.3939-0.0000 ( 7528 PWs) bands (ev): -27.0714 -27.0714 -27.0683 -27.0683 -20.6118 -20.6118 -20.5506 -20.5506 -18.8110 -18.8109 -18.8089 -18.8089 -18.7842 -18.7841 -18.7013 -18.7013 -10.7988 -10.7844 -10.7698 -10.7572 -10.5470 -10.5411 -10.5206 -10.5161 -10.5090 -10.5008 -10.4919 -10.4917 -6.9923 -6.9916 -6.7785 -6.7782 -6.6335 -6.6327 -6.4459 -6.4457 -3.6352 -3.6330 -3.5980 -3.5955 -3.5154 -3.5135 -3.0548 -3.0520 -1.9511 -1.9472 -1.8411 -1.8257 -1.7315 -1.7178 -1.6862 -1.6745 -1.6656 -1.6633 -1.6011 -1.5930 -1.2735 -1.2704 -1.1391 -1.1384 -0.9775 -0.9758 -0.7442 -0.7418 6.8880 6.8881 7.5095 7.5103 8.1108 8.1110 8.1136 8.1155 8.7871 8.7883 9.3137 9.3146 k = 0.2564 0.3939-0.0000 ( 7532 PWs) bands (ev): -27.0720 -27.0720 -27.0688 -27.0688 -20.6150 -20.6150 -20.5537 -20.5537 -18.8102 -18.8102 -18.8056 -18.8055 -18.7816 -18.7816 -18.7012 -18.7012 -10.7970 -10.7826 -10.7680 -10.7553 -10.5455 -10.5400 -10.5177 -10.5134 -10.5058 -10.4979 -10.4912 -10.4911 -6.9885 -6.9878 -6.7700 -6.7696 -6.6319 -6.6311 -6.4497 -6.4494 -3.6402 -3.6385 -3.5843 -3.5822 -3.5051 -3.5031 -3.0583 -3.0555 -1.9633 -1.9596 -1.8477 -1.8315 -1.7359 -1.7209 -1.6957 -1.6850 -1.6739 -1.6726 -1.5995 -1.5926 -1.2576 -1.2545 -1.1371 -1.1364 -0.9666 -0.9649 -0.7489 -0.7464 6.8323 6.8324 7.4627 7.4634 8.0678 8.0698 8.1162 8.1163 8.7485 8.7495 9.3595 9.3606 k = 0.2436 0.3939-0.0000 ( 7536 PWs) bands (ev): -27.0725 -27.0725 -27.0693 -27.0693 -20.6182 -20.6182 -20.5568 -20.5568 -18.8097 -18.8096 -18.8022 -18.8022 -18.7789 -18.7788 -18.7011 -18.7011 -10.7952 -10.7808 -10.7662 -10.7536 -10.5442 -10.5389 -10.5147 -10.5105 -10.5027 -10.4956 -10.4902 -10.4897 -6.9847 -6.9840 -6.7612 -6.7608 -6.6303 -6.6295 -6.4537 -6.4534 -3.6456 -3.6442 -3.5703 -3.5685 -3.4945 -3.4925 -3.0620 -3.0592 -1.9754 -1.9718 -1.8542 -1.8373 -1.7409 -1.7242 -1.7054 -1.6958 -1.6820 -1.6818 -1.5979 -1.5921 -1.2414 -1.2383 -1.1352 -1.1345 -0.9556 -0.9539 -0.7539 -0.7514 6.7787 6.7788 7.4175 7.4181 8.0230 8.0250 8.1206 8.1207 8.7108 8.7117 9.4057 9.4070 k = 0.2308 0.3939-0.0000 ( 7534 PWs) bands (ev): -27.0730 -27.0730 -27.0698 -27.0698 -20.6214 -20.6214 -20.5599 -20.5599 -18.8093 -18.8092 -18.7989 -18.7988 -18.7760 -18.7760 -18.7009 -18.7009 -10.7934 -10.7791 -10.7644 -10.7519 -10.5430 -10.5379 -10.5115 -10.5077 -10.4999 -10.4943 -10.4888 -10.4875 -6.9809 -6.9802 -6.7521 -6.7517 -6.6287 -6.6279 -6.4579 -6.4576 -3.6512 -3.6500 -3.5562 -3.5546 -3.4837 -3.4816 -3.0658 -3.0631 -1.9873 -1.9838 -1.8605 -1.8429 -1.7466 -1.7278 -1.7153 -1.7068 -1.6907 -1.6897 -1.5963 -1.5913 -1.2250 -1.2219 -1.1333 -1.1327 -0.9446 -0.9430 -0.7594 -0.7567 6.7274 6.7274 7.3740 7.3745 7.9792 7.9812 8.1240 8.1241 8.6745 8.6753 9.4512 9.4526 k = 0.2179 0.3939-0.0000 ( 7534 PWs) bands (ev): -27.0735 -27.0735 -27.0703 -27.0703 -20.6246 -20.6245 -20.5629 -20.5629 -18.8090 -18.8090 -18.7956 -18.7956 -18.7731 -18.7731 -18.7008 -18.7008 -10.7915 -10.7775 -10.7626 -10.7503 -10.5418 -10.5370 -10.5082 -10.5050 -10.4974 -10.4936 -10.4870 -10.4846 -6.9771 -6.9765 -6.7428 -6.7424 -6.6271 -6.6263 -6.4622 -6.4619 -3.6570 -3.6559 -3.5422 -3.5406 -3.4726 -3.4706 -3.0696 -3.0671 -1.9990 -1.9956 -1.8667 -1.8483 -1.7532 -1.7319 -1.7250 -1.7180 -1.6992 -1.6970 -1.5946 -1.5904 -1.2084 -1.2053 -1.1315 -1.1309 -0.9337 -0.9321 -0.7653 -0.7625 6.6784 6.6784 7.3325 7.3328 7.9366 7.9387 8.1263 8.1264 8.6399 8.6406 9.4790 9.4803 k = 0.2051 0.3939-0.0000 ( 7546 PWs) bands (ev): -27.0740 -27.0740 -27.0708 -27.0708 -20.6276 -20.6276 -20.5659 -20.5659 -18.8088 -18.8087 -18.7924 -18.7924 -18.7701 -18.7701 -18.7006 -18.7006 -10.7897 -10.7760 -10.7609 -10.7489 -10.5407 -10.5361 -10.5048 -10.5027 -10.4949 -10.4933 -10.4848 -10.4816 -6.9735 -6.9729 -6.7334 -6.7329 -6.6255 -6.6247 -6.4668 -6.4665 -3.6629 -3.6619 -3.5282 -3.5267 -3.4615 -3.4595 -3.0736 -3.0711 -2.0103 -2.0071 -1.8725 -1.8535 -1.7609 -1.7367 -1.7343 -1.7293 -1.7069 -1.7036 -1.5930 -1.5894 -1.1917 -1.1885 -1.1297 -1.1291 -0.9229 -0.9214 -0.7715 -0.7687 6.6318 6.6318 7.2928 7.2932 7.8954 7.8974 8.1276 8.1276 8.6071 8.6077 9.4267 9.4275 k = 0.1923 0.3939-0.0000 ( 7546 PWs) bands (ev): -27.0745 -27.0745 -27.0713 -27.0713 -20.6306 -20.6306 -20.5688 -20.5688 -18.8087 -18.8086 -18.7893 -18.7893 -18.7672 -18.7672 -18.7005 -18.7004 -10.7879 -10.7746 -10.7592 -10.7476 -10.5396 -10.5352 -10.5013 -10.5008 -10.4930 -10.4924 -10.4823 -10.4785 -6.9699 -6.9694 -6.7237 -6.7232 -6.6239 -6.6231 -6.4716 -6.4712 -3.6688 -3.6679 -3.5144 -3.5130 -3.4504 -3.4483 -3.0776 -3.0752 -2.0212 -2.0182 -1.8781 -1.8584 -1.7697 -1.7433 -1.7432 -1.7398 -1.7134 -1.7095 -1.5914 -1.5884 -1.1748 -1.1716 -1.1280 -1.1275 -0.9124 -0.9108 -0.7782 -0.7753 6.5877 6.5877 7.2553 7.2556 7.8555 7.8575 8.1278 8.1279 8.5762 8.5768 9.3750 9.3754 k = 0.1795 0.3939-0.0000 ( 7534 PWs) bands (ev): -27.0750 -27.0750 -27.0718 -27.0718 -20.6335 -20.6335 -20.5716 -20.5716 -18.8086 -18.8085 -18.7864 -18.7863 -18.7643 -18.7643 -18.7003 -18.7002 -10.7861 -10.7733 -10.7575 -10.7464 -10.5386 -10.5344 -10.4993 -10.4978 -10.4928 -10.4896 -10.4797 -10.4755 -6.9665 -6.9659 -6.7139 -6.7134 -6.6223 -6.6215 -6.4765 -6.4761 -3.6747 -3.6739 -3.5009 -3.4995 -3.4393 -3.4373 -3.0815 -3.0793 -2.0317 -2.0289 -1.8834 -1.8630 -1.7793 -1.7534 -1.7517 -1.7477 -1.7187 -1.7146 -1.5898 -1.5874 -1.1579 -1.1547 -1.1264 -1.1259 -0.9021 -0.9006 -0.7853 -0.7823 6.5461 6.5461 7.2200 7.2202 7.8173 7.8192 8.1271 8.1271 8.5472 8.5477 9.3247 9.3248 k = 0.1667 0.3939-0.0000 ( 7522 PWs) bands (ev): -27.0754 -27.0754 -27.0722 -27.0722 -20.6363 -20.6363 -20.5743 -20.5742 -18.8085 -18.8085 -18.7835 -18.7835 -18.7615 -18.7615 -18.7000 -18.7000 -10.7843 -10.7721 -10.7559 -10.7453 -10.5376 -10.5336 -10.4982 -10.4943 -10.4926 -10.4866 -10.4771 -10.4727 -6.9632 -6.9627 -6.7041 -6.7035 -6.6207 -6.6200 -6.4816 -6.4812 -3.6805 -3.6797 -3.4877 -3.4864 -3.4284 -3.4264 -3.0854 -3.0833 -2.0417 -2.0390 -1.8883 -1.8672 -1.7897 -1.7646 -1.7599 -1.7552 -1.7229 -1.7190 -1.5883 -1.5863 -1.1409 -1.1377 -1.1248 -1.1244 -0.8921 -0.8907 -0.7928 -0.7898 6.5071 6.5071 7.1868 7.1870 7.7809 7.7827 8.1255 8.1256 8.5202 8.5207 9.2763 9.2765 k = 0.1538 0.3939-0.0000 ( 7534 PWs) bands (ev): -27.0759 -27.0759 -27.0727 -27.0727 -20.6390 -20.6389 -20.5768 -20.5768 -18.8085 -18.8085 -18.7809 -18.7809 -18.7588 -18.7588 -18.6998 -18.6998 -10.7826 -10.7711 -10.7544 -10.7443 -10.5367 -10.5329 -10.4974 -10.4926 -10.4908 -10.4836 -10.4746 -10.4700 -6.9601 -6.9596 -6.6942 -6.6936 -6.6192 -6.6185 -6.4870 -6.4865 -3.6862 -3.6855 -3.4751 -3.4738 -3.4178 -3.4159 -3.0892 -3.0872 -2.0511 -2.0486 -1.8928 -1.8711 -1.8003 -1.7758 -1.7678 -1.7629 -1.7263 -1.7228 -1.5869 -1.5852 -1.1241 -1.1238 -1.1229 -1.1203 -0.8826 -0.8813 -0.8008 -0.7977 6.4708 6.4708 7.1560 7.1561 7.7464 7.7482 8.1231 8.1232 8.4952 8.4956 9.2303 9.2306 k = 0.1410 0.3939-0.0000 ( 7538 PWs) bands (ev): -27.0763 -27.0763 -27.0731 -27.0731 -20.6414 -20.6414 -20.5792 -20.5792 -18.8085 -18.8085 -18.7784 -18.7784 -18.7563 -18.7563 -18.6996 -18.6996 -10.7810 -10.7701 -10.7529 -10.7435 -10.5357 -10.5322 -10.4967 -10.4924 -10.4875 -10.4805 -10.4721 -10.4675 -6.9571 -6.9567 -6.6843 -6.6836 -6.6178 -6.6171 -6.4925 -6.4920 -3.6916 -3.6910 -3.4629 -3.4617 -3.4075 -3.4057 -3.0928 -3.0910 -2.0600 -2.0577 -1.8969 -1.8746 -1.8110 -1.7868 -1.7754 -1.7706 -1.7291 -1.7261 -1.5855 -1.5842 -1.1221 -1.1217 -1.1071 -1.1037 -0.8736 -0.8723 -0.8092 -0.8061 6.4372 6.4372 7.1274 7.1276 7.7140 7.7157 8.1200 8.1202 8.4722 8.4726 9.1871 9.1875 k = 0.1282 0.3939-0.0000 ( 7538 PWs) bands (ev): -27.0767 -27.0767 -27.0735 -27.0735 -20.6438 -20.6438 -20.5815 -20.5815 -18.8085 -18.8085 -18.7761 -18.7761 -18.7539 -18.7539 -18.6994 -18.6994 -10.7794 -10.7693 -10.7515 -10.7428 -10.5349 -10.5315 -10.4962 -10.4923 -10.4842 -10.4775 -10.4699 -10.4651 -6.9543 -6.9539 -6.6744 -6.6737 -6.6164 -6.6158 -6.4982 -6.4977 -3.6969 -3.6963 -3.4515 -3.4504 -3.3977 -3.3959 -3.0963 -3.0946 -2.0682 -2.0661 -1.9006 -1.8776 -1.8216 -1.7975 -1.7827 -1.7781 -1.7314 -1.7288 -1.5843 -1.5831 -1.1209 -1.1205 -1.0903 -1.0869 -0.8651 -0.8639 -0.8181 -0.8149 6.4064 6.4064 7.1013 7.1014 7.6839 7.6854 8.1165 8.1167 8.4512 8.4515 9.1470 9.1474 k = 0.1154 0.3939-0.0000 ( 7534 PWs) bands (ev): -27.0770 -27.0770 -27.0738 -27.0738 -20.6459 -20.6459 -20.5835 -20.5835 -18.8086 -18.8085 -18.7740 -18.7739 -18.7516 -18.7516 -18.6992 -18.6992 -10.7779 -10.7686 -10.7502 -10.7422 -10.5340 -10.5309 -10.4957 -10.4922 -10.4811 -10.4746 -10.4679 -10.4631 -6.9518 -6.9514 -6.6645 -6.6639 -6.6151 -6.6146 -6.5041 -6.5036 -3.7018 -3.7013 -3.4407 -3.4397 -3.3885 -3.3868 -3.0995 -3.0980 -2.0758 -2.0738 -1.9037 -1.8803 -1.8319 -1.8078 -1.7895 -1.7854 -1.7333 -1.7312 -1.5831 -1.5822 -1.1197 -1.1193 -1.0736 -1.0703 -0.8571 -0.8561 -0.8275 -0.8242 6.3783 6.3784 7.0776 7.0776 7.6561 7.6575 8.1127 8.1129 8.4322 8.4325 9.1102 9.1106 k = 0.1026 0.3939-0.0000 ( 7550 PWs) bands (ev): -27.0774 -27.0774 -27.0741 -27.0741 -20.6479 -20.6479 -20.5854 -20.5854 -18.8086 -18.8086 -18.7721 -18.7720 -18.7496 -18.7496 -18.6989 -18.6989 -10.7764 -10.7681 -10.7489 -10.7418 -10.5333 -10.5304 -10.4953 -10.4922 -10.4782 -10.4719 -10.4661 -10.4613 -6.9495 -6.9492 -6.6549 -6.6542 -6.6140 -6.6134 -6.5102 -6.5096 -3.7064 -3.7060 -3.4309 -3.4299 -3.3799 -3.3784 -3.1024 -3.1010 -2.0826 -2.0809 -1.9063 -1.8825 -1.8417 -1.8176 -1.7958 -1.7921 -1.7350 -1.7333 -1.5820 -1.5813 -1.1187 -1.1184 -1.0572 -1.0538 -0.8499 -0.8489 -0.8373 -0.8340 6.3531 6.3532 7.0563 7.0563 7.6309 7.6321 8.1087 8.1089 8.4152 8.4155 9.0769 9.0772 k = 0.0897 0.3939-0.0000 ( 7546 PWs) bands (ev): -27.0777 -27.0777 -27.0744 -27.0744 -20.6496 -20.6496 -20.5871 -20.5871 -18.8086 -18.8086 -18.7704 -18.7703 -18.7478 -18.7477 -18.6987 -18.6987 -10.7751 -10.7677 -10.7478 -10.7414 -10.5325 -10.5300 -10.4949 -10.4922 -10.4754 -10.4693 -10.4646 -10.4597 -6.9474 -6.9471 -6.6454 -6.6447 -6.6129 -6.6124 -6.5164 -6.5158 -3.7106 -3.7102 -3.4219 -3.4211 -3.3721 -3.3707 -3.1050 -3.1038 -2.0887 -2.0872 -1.9083 -1.8844 -1.8509 -1.8268 -1.8016 -1.7984 -1.7364 -1.7350 -1.5811 -1.5805 -1.1177 -1.1175 -1.0410 -1.0376 -0.8475 -0.8443 -0.8433 -0.8425 6.3309 6.3309 7.0375 7.0375 7.6083 7.6094 8.1048 8.1050 8.4002 8.4004 9.0472 9.0475 k = 0.0769 0.3939-0.0000 ( 7570 PWs) bands (ev): -27.0779 -27.0779 -27.0747 -27.0747 -20.6512 -20.6512 -20.5886 -20.5886 -18.8087 -18.8087 -18.7689 -18.7689 -18.7461 -18.7461 -18.6985 -18.6985 -10.7738 -10.7674 -10.7467 -10.7412 -10.5319 -10.5297 -10.4945 -10.4922 -10.4729 -10.4670 -10.4633 -10.4585 -6.9456 -6.9454 -6.6361 -6.6354 -6.6119 -6.6115 -6.5227 -6.5221 -3.7143 -3.7140 -3.4140 -3.4132 -3.3651 -3.3639 -3.1073 -3.1063 -2.0940 -2.0927 -1.9097 -1.8859 -1.8592 -1.8354 -1.8067 -1.8039 -1.7377 -1.7365 -1.5802 -1.5798 -1.1169 -1.1167 -1.0250 -1.0216 -0.8582 -0.8549 -0.8376 -0.8368 6.3115 6.3115 7.0211 7.0211 7.5885 7.5895 8.1010 8.1012 8.3873 8.3874 9.0213 9.0216 k = 0.0641 0.3939-0.0000 ( 7564 PWs) bands (ev): -27.0782 -27.0782 -27.0749 -27.0749 -20.6525 -20.6525 -20.5899 -20.5899 -18.8087 -18.8087 -18.7676 -18.7676 -18.7448 -18.7447 -18.6984 -18.6984 -10.7727 -10.7673 -10.7457 -10.7411 -10.5312 -10.5294 -10.4942 -10.4922 -10.4706 -10.4650 -10.4622 -10.4575 -6.9440 -6.9438 -6.6273 -6.6266 -6.6111 -6.6107 -6.5290 -6.5285 -3.7175 -3.7173 -3.4071 -3.4065 -3.3590 -3.3580 -3.1093 -3.1084 -2.0986 -2.0974 -1.9104 -1.8874 -1.8663 -1.8433 -1.8111 -1.8088 -1.7387 -1.7378 -1.5795 -1.5792 -1.1163 -1.1160 -1.0094 -1.0060 -0.8693 -0.8660 -0.8326 -0.8320 6.2950 6.2951 7.0073 7.0073 7.5716 7.5724 8.0975 8.0977 8.3763 8.3764 8.9992 8.9994 k = 0.0513 0.3939-0.0000 ( 7560 PWs) bands (ev): -27.0783 -27.0783 -27.0751 -27.0751 -20.6536 -20.6536 -20.5909 -20.5909 -18.8088 -18.8087 -18.7666 -18.7666 -18.7436 -18.7436 -18.6982 -18.6982 -10.7716 -10.7673 -10.7448 -10.7411 -10.5307 -10.5292 -10.4939 -10.4923 -10.4685 -10.4635 -10.4611 -10.4568 -6.9427 -6.9426 -6.6189 -6.6182 -6.6104 -6.6101 -6.5353 -6.5347 -3.7202 -3.7200 -3.4014 -3.4009 -3.3540 -3.3531 -3.1109 -3.1102 -2.1023 -2.1014 -1.9104 -1.8892 -1.8716 -1.8505 -1.8148 -1.8129 -1.7394 -1.7388 -1.5789 -1.5787 -1.1157 -1.1155 -0.9942 -0.9908 -0.8808 -0.8775 -0.8285 -0.8280 6.2815 6.2816 6.9959 6.9959 7.5576 7.5583 8.0945 8.0946 8.3673 8.3674 8.9810 8.9812 k = 0.0385 0.3939-0.0000 ( 7556 PWs) bands (ev): -27.0785 -27.0785 -27.0752 -27.0752 -20.6544 -20.6544 -20.5918 -20.5918 -18.8088 -18.8088 -18.7658 -18.7658 -18.7427 -18.7427 -18.6981 -18.6981 -10.7706 -10.7674 -10.7440 -10.7412 -10.5302 -10.5291 -10.4936 -10.4924 -10.4667 -10.4627 -10.4600 -10.4564 -6.9417 -6.9416 -6.6113 -6.6107 -6.6098 -6.6096 -6.5411 -6.5406 -3.7224 -3.7222 -3.3969 -3.3965 -3.3499 -3.3493 -3.1121 -3.1116 -2.1051 -2.1045 -1.9097 -1.8920 -1.8744 -1.8569 -1.8176 -1.8162 -1.7400 -1.7396 -1.5784 -1.5783 -1.1152 -1.1151 -0.9794 -0.9761 -0.8925 -0.8892 -0.8252 -0.8248 6.2710 6.2711 6.9871 6.9871 7.5467 7.5472 8.0920 8.0921 8.3603 8.3604 8.9668 8.9670 k = 0.0256 0.3939-0.0000 ( 7552 PWs) bands (ev): -27.0786 -27.0786 -27.0753 -27.0753 -20.6550 -20.6550 -20.5924 -20.5924 -18.8088 -18.8088 -18.7652 -18.7652 -18.7420 -18.7420 -18.6980 -18.6980 -10.7698 -10.7676 -10.7433 -10.7414 -10.5298 -10.5290 -10.4933 -10.4925 -10.4652 -10.4624 -10.4588 -10.4563 -6.9410 -6.9409 -6.6094 -6.6093 -6.6048 -6.6043 -6.5463 -6.5458 -3.7239 -3.7238 -3.3936 -3.3933 -3.3470 -3.3466 -3.1129 -3.1126 -2.1072 -2.1067 -1.9082 -1.8957 -1.8749 -1.8624 -1.8196 -1.8187 -1.7404 -1.7401 -1.5781 -1.5780 -1.1149 -1.1148 -0.9655 -0.9623 -0.9042 -0.9011 -0.8229 -0.8226 6.2635 6.2635 6.9808 6.9808 7.5389 7.5393 8.0902 8.0903 8.3553 8.3554 8.9567 8.9568 k = 0.0128 0.3939-0.0000 ( 7556 PWs) bands (ev): -27.0786 -27.0786 -27.0754 -27.0754 -20.6554 -20.6554 -20.5927 -20.5927 -18.8088 -18.8088 -18.7649 -18.7649 -18.7416 -18.7416 -18.6979 -18.6979 -10.7691 -10.7680 -10.7427 -10.7418 -10.5295 -10.5291 -10.4931 -10.4927 -10.4640 -10.4626 -10.4578 -10.4565 -6.9405 -6.9405 -6.6091 -6.6091 -6.6002 -6.5999 -6.5499 -6.5497 -3.7248 -3.7248 -3.3916 -3.3914 -3.3452 -3.3450 -3.1134 -3.1133 -2.1083 -2.1081 -1.9060 -1.8995 -1.8735 -1.8671 -1.8207 -1.8202 -1.7407 -1.7405 -1.5779 -1.5778 -1.1147 -1.1146 -0.9530 -0.9505 -0.9148 -0.9123 -0.8214 -0.8213 6.2590 6.2590 6.9770 6.9770 7.5343 7.5344 8.0891 8.0891 8.3523 8.3524 8.9506 8.9507 k = 0.0000 0.3939-0.0000 ( 7554 PWs) bands (ev): -27.0787 -27.0787 -27.0754 -27.0754 -20.6555 -20.6555 -20.5928 -20.5928 -18.8088 -18.8088 -18.7647 -18.7647 -18.7415 -18.7415 -18.6979 -18.6979 -10.7685 -10.7685 -10.7422 -10.7422 -10.5292 -10.5292 -10.4929 -10.4929 -10.4631 -10.4631 -10.4570 -10.4570 -6.9404 -6.9404 -6.6090 -6.6090 -6.5984 -6.5984 -6.5512 -6.5512 -3.7251 -3.7251 -3.3908 -3.3908 -3.3445 -3.3445 -3.1135 -3.1135 -2.1087 -2.1087 -1.9031 -1.9031 -1.8708 -1.8708 -1.8209 -1.8209 -1.7407 -1.7407 -1.5778 -1.5778 -1.1146 -1.1146 -0.9457 -0.9457 -0.9191 -0.9191 -0.8209 -0.8209 6.2575 6.2575 6.9757 6.9757 7.5328 7.5328 8.0887 8.0887 8.3513 8.3513 8.9486 8.9486 k = 0.0000 0.3939-0.0000 ( 7554 PWs) bands (ev): -27.0787 -27.0787 -27.0754 -27.0754 -20.6555 -20.6555 -20.5928 -20.5928 -18.8088 -18.8088 -18.7647 -18.7647 -18.7415 -18.7415 -18.6979 -18.6979 -10.7685 -10.7685 -10.7422 -10.7422 -10.5292 -10.5292 -10.4929 -10.4929 -10.4631 -10.4631 -10.4570 -10.4570 -6.9404 -6.9404 -6.6090 -6.6090 -6.5984 -6.5984 -6.5512 -6.5512 -3.7251 -3.7251 -3.3908 -3.3908 -3.3445 -3.3445 -3.1135 -3.1135 -2.1087 -2.1087 -1.9031 -1.9031 -1.8708 -1.8708 -1.8209 -1.8209 -1.7407 -1.7407 -1.5778 -1.5778 -1.1146 -1.1146 -0.9457 -0.9457 -0.9191 -0.9191 -0.8209 -0.8209 6.2575 6.2575 6.9757 6.9757 7.5328 7.5328 8.0887 8.0887 8.3513 8.3513 8.9486 8.9486 k = 0.0000 0.3812-0.0000 ( 7562 PWs) bands (ev): -27.0787 -27.0787 -27.0754 -27.0754 -20.6555 -20.6555 -20.5928 -20.5928 -18.8088 -18.8088 -18.7647 -18.7647 -18.7415 -18.7415 -18.6979 -18.6979 -10.7686 -10.7683 -10.7423 -10.7421 -10.5294 -10.5290 -10.4930 -10.4928 -10.4633 -10.4630 -10.4572 -10.4569 -6.9404 -6.9404 -6.6090 -6.6090 -6.5984 -6.5984 -6.5512 -6.5512 -3.7252 -3.7249 -3.3917 -3.3916 -3.3441 -3.3437 -3.1135 -3.1134 -2.1079 -2.1077 -1.9031 -1.9028 -1.8711 -1.8705 -1.8209 -1.8209 -1.7410 -1.7405 -1.5787 -1.5778 -1.1146 -1.1146 -0.9458 -0.9457 -0.9191 -0.9191 -0.8210 -0.8210 6.2446 6.2448 6.9882 6.9883 7.5277 7.5278 8.0938 8.0942 8.3467 8.3472 8.9498 8.9499 k = 0.0000 0.3685-0.0000 ( 7554 PWs) bands (ev): -27.0787 -27.0787 -27.0754 -27.0754 -20.6555 -20.6555 -20.5928 -20.5928 -18.8088 -18.8088 -18.7647 -18.7647 -18.7416 -18.7416 -18.6980 -18.6980 -10.7686 -10.7682 -10.7424 -10.7420 -10.5295 -10.5288 -10.4931 -10.4926 -10.4634 -10.4629 -10.4574 -10.4567 -6.9404 -6.9403 -6.6089 -6.6089 -6.5984 -6.5984 -6.5513 -6.5512 -3.7252 -3.7245 -3.3938 -3.3937 -3.3426 -3.3418 -3.1133 -3.1130 -2.1055 -2.1050 -1.9029 -1.9023 -1.8712 -1.8701 -1.8209 -1.8208 -1.7414 -1.7404 -1.5806 -1.5788 -1.1146 -1.1145 -0.9459 -0.9458 -0.9191 -0.9191 -0.8214 -0.8214 6.2087 6.2090 7.0232 7.0234 7.5133 7.5134 8.1088 8.1096 8.3340 8.3351 8.9531 8.9533 k = 0.0000 0.3557-0.0000 ( 7554 PWs) bands (ev): -27.0787 -27.0787 -27.0754 -27.0754 -20.6554 -20.6554 -20.5928 -20.5928 -18.8087 -18.8087 -18.7646 -18.7646 -18.7416 -18.7416 -18.6981 -18.6981 -10.7686 -10.7680 -10.7426 -10.7419 -10.5295 -10.5285 -10.4932 -10.4925 -10.4636 -10.4628 -10.4577 -10.4566 -6.9404 -6.9403 -6.6088 -6.6088 -6.5984 -6.5984 -6.5513 -6.5513 -3.7251 -3.7241 -3.3971 -3.3970 -3.3402 -3.3391 -3.1129 -3.1125 -2.1013 -2.1006 -1.9025 -1.9015 -1.8713 -1.8696 -1.8208 -1.8207 -1.7419 -1.7405 -1.5835 -1.5807 -1.1145 -1.1143 -0.9460 -0.9459 -0.9191 -0.9191 -0.8220 -0.8220 6.1554 6.1558 7.0750 7.0752 7.4913 7.4913 8.1310 8.1324 8.3148 8.3166 8.9576 8.9578 k = 0.0000 0.3430-0.0000 ( 7552 PWs) bands (ev): -27.0787 -27.0787 -27.0754 -27.0754 -20.6553 -20.6553 -20.5928 -20.5928 -18.8086 -18.8086 -18.7645 -18.7645 -18.7417 -18.7417 -18.6982 -18.6982 -10.7686 -10.7678 -10.7427 -10.7418 -10.5295 -10.5282 -10.4933 -10.4925 -10.4637 -10.4628 -10.4579 -10.4565 -6.9404 -6.9402 -6.6086 -6.6086 -6.5984 -6.5984 -6.5514 -6.5513 -3.7249 -3.7235 -3.4012 -3.4012 -3.3373 -3.3360 -3.1122 -3.1116 -2.0956 -2.0946 -1.9018 -1.9004 -1.8713 -1.8691 -1.8206 -1.8206 -1.7426 -1.7406 -1.5873 -1.5835 -1.1144 -1.1141 -0.9462 -0.9460 -0.9190 -0.9190 -0.8229 -0.8228 6.0903 6.0908 7.1376 7.1377 7.4637 7.4637 8.1562 8.1587 8.2927 8.2956 8.9620 8.9621 k = 0.0000 0.3303-0.0000 ( 7544 PWs) bands (ev): -27.0788 -27.0788 -27.0755 -27.0755 -20.6552 -20.6552 -20.5928 -20.5928 -18.8085 -18.8085 -18.7644 -18.7644 -18.7418 -18.7418 -18.6984 -18.6984 -10.7685 -10.7675 -10.7429 -10.7417 -10.5295 -10.5278 -10.4935 -10.4924 -10.4639 -10.4627 -10.4582 -10.4565 -6.9404 -6.9402 -6.6084 -6.6084 -6.5983 -6.5983 -6.5514 -6.5514 -3.7246 -3.7228 -3.4060 -3.4058 -3.3341 -3.3327 -3.1111 -3.1105 -2.0883 -2.0870 -1.9010 -1.8991 -1.8712 -1.8685 -1.8204 -1.8204 -1.7433 -1.7409 -1.5920 -1.5872 -1.1143 -1.1139 -0.9464 -0.9462 -0.9190 -0.9189 -0.8240 -0.8239 6.0178 6.0183 7.2058 7.2060 7.4328 7.4330 8.1759 8.1796 8.2759 8.2801 8.9651 8.9652 k = 0.0000 0.3176-0.0000 ( 7552 PWs) bands (ev): -27.0788 -27.0788 -27.0755 -27.0755 -20.6551 -20.6551 -20.5927 -20.5927 -18.8084 -18.8084 -18.7643 -18.7643 -18.7420 -18.7420 -18.6986 -18.6986 -10.7684 -10.7672 -10.7430 -10.7417 -10.5294 -10.5274 -10.4936 -10.4924 -10.4641 -10.4627 -10.4584 -10.4565 -6.9403 -6.9401 -6.6081 -6.6081 -6.5983 -6.5983 -6.5515 -6.5514 -3.7241 -3.7220 -3.4113 -3.4109 -3.3310 -3.3295 -3.1096 -3.1088 -2.0796 -2.0781 -1.8999 -1.8976 -1.8711 -1.8678 -1.8202 -1.8202 -1.7441 -1.7412 -1.5976 -1.5918 -1.1141 -1.1137 -0.9467 -0.9464 -0.9189 -0.9189 -0.8253 -0.8253 5.9409 5.9414 7.2741 7.2750 7.4019 7.4027 8.1750 8.1785 8.2807 8.2847 8.9665 8.9665 k = 0.0000 0.3049-0.0000 ( 7548 PWs) bands (ev): -27.0788 -27.0788 -27.0755 -27.0755 -20.6549 -20.6549 -20.5927 -20.5927 -18.8082 -18.8082 -18.7641 -18.7641 -18.7421 -18.7421 -18.6988 -18.6988 -10.7683 -10.7669 -10.7432 -10.7417 -10.5292 -10.5269 -10.4937 -10.4923 -10.4643 -10.4627 -10.4587 -10.4564 -6.9403 -6.9401 -6.6078 -6.6078 -6.5983 -6.5983 -6.5517 -6.5515 -3.7235 -3.7211 -3.4170 -3.4164 -3.3279 -3.3265 -3.1076 -3.1067 -2.0696 -2.0677 -1.8988 -1.8958 -1.8708 -1.8670 -1.8200 -1.8200 -1.7450 -1.7417 -1.6040 -1.5972 -1.1138 -1.1134 -0.9470 -0.9467 -0.9188 -0.9188 -0.8268 -0.8268 5.8615 5.8621 7.3231 7.3260 7.3881 7.3907 8.1536 8.1560 8.3067 8.3095 8.9657 8.9659 k = 0.0000 0.2922-0.0000 ( 7540 PWs) bands (ev): -27.0789 -27.0789 -27.0755 -27.0755 -20.6548 -20.6547 -20.5927 -20.5926 -18.8081 -18.8080 -18.7639 -18.7639 -18.7423 -18.7423 -18.6991 -18.6991 -10.7681 -10.7666 -10.7434 -10.7417 -10.5290 -10.5264 -10.4939 -10.4923 -10.4645 -10.4626 -10.4590 -10.4564 -6.9403 -6.9400 -6.6075 -6.6075 -6.5982 -6.5982 -6.5518 -6.5516 -3.7227 -3.7200 -3.4230 -3.4221 -3.3251 -3.3237 -3.1050 -3.1039 -2.0584 -2.0562 -1.8975 -1.8938 -1.8704 -1.8662 -1.8197 -1.8197 -1.7459 -1.7422 -1.6111 -1.6034 -1.1136 -1.1131 -0.9473 -0.9470 -0.9187 -0.9186 -0.8285 -0.8285 5.7810 5.7816 7.3106 7.3128 7.4361 7.4380 8.1250 8.1265 8.3396 8.3415 8.9634 8.9638 k = 0.0000 0.2795-0.0000 ( 7540 PWs) bands (ev): -27.0789 -27.0789 -27.0755 -27.0755 -20.6546 -20.6545 -20.5926 -20.5926 -18.8079 -18.8078 -18.7637 -18.7637 -18.7425 -18.7425 -18.6994 -18.6994 -10.7679 -10.7663 -10.7436 -10.7417 -10.5287 -10.5259 -10.4940 -10.4923 -10.4647 -10.4626 -10.4594 -10.4565 -6.9402 -6.9399 -6.6071 -6.6071 -6.5981 -6.5981 -6.5519 -6.5518 -3.7217 -3.7188 -3.4293 -3.4281 -3.3226 -3.3212 -3.1017 -3.1005 -2.0463 -2.0436 -1.8962 -1.8915 -1.8699 -1.8653 -1.8195 -1.8194 -1.7469 -1.7428 -1.6190 -1.6102 -1.1133 -1.1128 -0.9477 -0.9473 -0.9185 -0.9185 -0.8305 -0.8304 5.7005 5.7011 7.2785 7.2802 7.4994 7.5007 8.0966 8.0975 8.3725 8.3739 8.9603 8.9609 k = 0.0000 0.2668-0.0000 ( 7540 PWs) bands (ev): -27.0790 -27.0790 -27.0756 -27.0756 -20.6543 -20.6543 -20.5926 -20.5926 -18.8077 -18.8076 -18.7635 -18.7635 -18.7427 -18.7427 -18.6997 -18.6997 -10.7676 -10.7659 -10.7438 -10.7418 -10.5284 -10.5254 -10.4942 -10.4923 -10.4649 -10.4627 -10.4597 -10.4565 -6.9402 -6.9398 -6.6067 -6.6067 -6.5981 -6.5981 -6.5520 -6.5519 -3.7206 -3.7174 -3.4359 -3.4344 -3.3205 -3.3191 -3.0976 -3.0964 -2.0333 -2.0301 -1.8949 -1.8890 -1.8692 -1.8643 -1.8193 -1.8190 -1.7480 -1.7435 -1.6275 -1.6176 -1.1130 -1.1124 -0.9481 -0.9477 -0.9184 -0.9184 -0.8325 -0.8325 5.6205 5.6211 7.2441 7.2457 7.5580 7.5590 8.0728 8.0734 8.4024 8.4034 8.9573 8.9582 k = 0.0000 0.2541-0.0000 ( 7550 PWs) bands (ev): -27.0791 -27.0791 -27.0756 -27.0756 -20.6541 -20.6541 -20.5925 -20.5925 -18.8074 -18.8074 -18.7633 -18.7633 -18.7429 -18.7429 -18.7000 -18.7000 -10.7673 -10.7655 -10.7440 -10.7418 -10.5280 -10.5249 -10.4943 -10.4924 -10.4651 -10.4627 -10.4600 -10.4566 -6.9401 -6.9398 -6.6063 -6.6063 -6.5980 -6.5980 -6.5522 -6.5520 -3.7194 -3.7159 -3.4427 -3.4409 -3.3186 -3.3174 -3.0929 -3.0916 -2.0197 -2.0159 -1.8937 -1.8862 -1.8683 -1.8632 -1.8191 -1.8187 -1.7491 -1.7443 -1.6365 -1.6256 -1.1126 -1.1121 -0.9485 -0.9481 -0.9182 -0.9182 -0.8348 -0.8348 5.5418 5.5423 7.2098 7.2113 7.6063 7.6071 8.0579 8.0582 8.4277 8.4284 8.9554 8.9567 k = 0.0000 0.2414-0.0000 ( 7546 PWs) bands (ev): -27.0791 -27.0791 -27.0756 -27.0756 -20.6539 -20.6539 -20.5925 -20.5925 -18.8072 -18.8072 -18.7630 -18.7630 -18.7432 -18.7432 -18.7004 -18.7004 -10.7670 -10.7651 -10.7442 -10.7419 -10.5276 -10.5243 -10.4945 -10.4924 -10.4654 -10.4627 -10.4603 -10.4567 -6.9400 -6.9397 -6.6059 -6.6059 -6.5979 -6.5979 -6.5524 -6.5522 -3.7179 -3.7142 -3.4498 -3.4477 -3.3171 -3.3160 -3.0875 -3.0861 -2.0057 -2.0012 -1.8926 -1.8832 -1.8670 -1.8620 -1.8190 -1.8183 -1.7502 -1.7451 -1.6460 -1.6340 -1.1123 -1.1117 -0.9490 -0.9486 -0.9181 -0.9181 -0.8371 -0.8371 5.4646 5.4652 7.1762 7.1777 7.6399 7.6406 8.0559 8.0560 8.4472 8.4476 8.9554 8.9570 k = 0.0000 0.2287-0.0000 ( 7546 PWs) bands (ev): -27.0792 -27.0792 -27.0756 -27.0756 -20.6536 -20.6536 -20.5924 -20.5924 -18.8069 -18.8069 -18.7628 -18.7628 -18.7434 -18.7434 -18.7008 -18.7007 -10.7667 -10.7648 -10.7444 -10.7420 -10.5272 -10.5237 -10.4946 -10.4925 -10.4656 -10.4628 -10.4606 -10.4569 -6.9400 -6.9396 -6.6054 -6.6054 -6.5978 -6.5978 -6.5525 -6.5524 -3.7163 -3.7123 -3.4570 -3.4547 -3.3159 -3.3149 -3.0814 -3.0799 -1.9916 -1.9861 -1.8918 -1.8799 -1.8655 -1.8608 -1.8189 -1.8179 -1.7513 -1.7459 -1.6559 -1.6428 -1.1119 -1.1113 -0.9495 -0.9490 -0.9179 -0.9179 -0.8396 -0.8396 5.3895 5.3901 7.1438 7.1453 7.6562 7.6568 8.0690 8.0690 8.4604 8.4607 8.9575 8.9595 k = 0.0000 0.2160-0.0000 ( 7546 PWs) bands (ev): -27.0793 -27.0793 -27.0757 -27.0757 -20.6534 -20.6534 -20.5924 -20.5923 -18.8067 -18.8067 -18.7625 -18.7625 -18.7437 -18.7437 -18.7012 -18.7011 -10.7663 -10.7643 -10.7446 -10.7422 -10.5267 -10.5231 -10.4948 -10.4926 -10.4658 -10.4629 -10.4609 -10.4570 -6.9399 -6.9395 -6.6050 -6.6050 -6.5978 -6.5978 -6.5527 -6.5525 -3.7144 -3.7103 -3.4645 -3.4619 -3.3150 -3.3141 -3.0747 -3.0732 -1.9775 -1.9709 -1.8912 -1.8762 -1.8635 -1.8594 -1.8188 -1.8175 -1.7523 -1.7468 -1.6660 -1.6518 -1.1115 -1.1109 -0.9500 -0.9495 -0.9177 -0.9177 -0.8422 -0.8421 5.3167 5.3173 7.1128 7.1142 7.6566 7.6571 8.0957 8.0957 8.4678 8.4679 8.9615 8.9639 k = 0.0000 0.2033-0.0000 ( 7550 PWs) bands (ev): -27.0794 -27.0794 -27.0757 -27.0757 -20.6531 -20.6531 -20.5923 -20.5923 -18.8064 -18.8064 -18.7622 -18.7622 -18.7440 -18.7440 -18.7016 -18.7016 -10.7659 -10.7639 -10.7448 -10.7424 -10.5261 -10.5225 -10.4949 -10.4928 -10.4660 -10.4630 -10.4612 -10.4572 -6.9398 -6.9395 -6.6045 -6.6045 -6.5977 -6.5977 -6.5529 -6.5527 -3.7124 -3.7081 -3.4722 -3.4693 -3.3142 -3.3134 -3.0675 -3.0659 -1.9639 -1.9558 -1.8908 -1.8721 -1.8610 -1.8578 -1.8189 -1.8171 -1.7534 -1.7477 -1.6762 -1.6610 -1.1111 -1.1104 -0.9505 -0.9500 -0.9175 -0.9175 -0.8448 -0.8448 5.2466 5.2471 7.0832 7.0846 7.6450 7.6455 8.1313 8.1313 8.4702 8.4704 8.9665 8.9693 k = 0.0000 0.1906-0.0000 ( 7554 PWs) bands (ev): -27.0794 -27.0794 -27.0757 -27.0757 -20.6529 -20.6529 -20.5923 -20.5922 -18.8061 -18.8061 -18.7619 -18.7619 -18.7443 -18.7443 -18.7020 -18.7020 -10.7654 -10.7635 -10.7450 -10.7425 -10.5255 -10.5219 -10.4951 -10.4930 -10.4662 -10.4631 -10.4614 -10.4573 -6.9398 -6.9394 -6.6040 -6.6040 -6.5976 -6.5976 -6.5530 -6.5529 -3.7101 -3.7057 -3.4800 -3.4769 -3.3136 -3.3129 -3.0599 -3.0583 -1.9511 -1.9411 -1.8907 -1.8675 -1.8580 -1.8560 -1.8191 -1.8168 -1.7545 -1.7486 -1.6863 -1.6702 -1.1106 -1.1100 -0.9510 -0.9505 -0.9173 -0.9173 -0.8474 -0.8474 5.1794 5.1799 7.0552 7.0566 7.6261 7.6266 8.1705 8.1705 8.4694 8.4698 8.9716 8.9748 k = 0.0000 0.1779-0.0000 ( 7558 PWs) bands (ev): -27.0795 -27.0795 -27.0758 -27.0758 -20.6526 -20.6526 -20.5922 -20.5922 -18.8058 -18.8058 -18.7616 -18.7616 -18.7445 -18.7445 -18.7024 -18.7024 -10.7650 -10.7631 -10.7453 -10.7428 -10.5249 -10.5214 -10.4952 -10.4931 -10.4663 -10.4633 -10.4616 -10.4575 -6.9397 -6.9393 -6.6036 -6.6036 -6.5975 -6.5975 -6.5532 -6.5530 -3.7076 -3.7032 -3.4879 -3.4846 -3.3132 -3.3126 -3.0520 -3.0503 -1.9394 -1.9273 -1.8906 -1.8625 -1.8545 -1.8536 -1.8194 -1.8165 -1.7555 -1.7497 -1.6963 -1.6793 -1.1102 -1.1096 -0.9515 -0.9511 -0.9171 -0.9171 -0.8501 -0.8501 5.1153 5.1158 7.0288 7.0302 7.6032 7.6037 8.2088 8.2089 8.4678 8.4683 8.9757 8.9793 k = 0.0000 0.1652-0.0000 ( 7554 PWs) bands (ev): -27.0796 -27.0796 -27.0758 -27.0758 -20.6524 -20.6524 -20.5922 -20.5921 -18.8056 -18.8056 -18.7613 -18.7613 -18.7448 -18.7448 -18.7028 -18.7028 -10.7645 -10.7627 -10.7455 -10.7430 -10.5243 -10.5208 -10.4954 -10.4934 -10.4665 -10.4635 -10.4618 -10.4577 -6.9396 -6.9393 -6.6031 -6.6031 -6.5973 -6.5973 -6.5534 -6.5532 -3.7050 -3.7004 -3.4958 -3.4924 -3.3127 -3.3122 -3.0439 -3.0422 -1.9293 -1.9151 -1.8901 -1.8577 -1.8502 -1.8498 -1.8199 -1.8162 -1.7564 -1.7508 -1.7060 -1.6882 -1.1098 -1.1092 -0.9520 -0.9516 -0.9169 -0.9169 -0.8527 -0.8527 5.0546 5.0550 7.0041 7.0055 7.5785 7.5791 8.2423 8.2424 8.4681 8.4689 8.9778 8.9818 k = 0.0000 0.1525-0.0000 ( 7550 PWs) bands (ev): -27.0797 -27.0797 -27.0758 -27.0758 -20.6521 -20.6521 -20.5921 -20.5921 -18.8053 -18.8053 -18.7610 -18.7610 -18.7451 -18.7451 -18.7032 -18.7032 -10.7641 -10.7623 -10.7457 -10.7432 -10.5237 -10.5202 -10.4956 -10.4936 -10.4666 -10.4637 -10.4619 -10.4580 -6.9396 -6.9392 -6.6027 -6.6027 -6.5972 -6.5972 -6.5535 -6.5534 -3.7021 -3.6975 -3.5038 -3.5002 -3.3124 -3.3120 -3.0358 -3.0341 -1.9210 -1.9058 -1.8882 -1.8541 -1.8451 -1.8437 -1.8205 -1.8159 -1.7574 -1.7521 -1.7150 -1.6968 -1.1094 -1.1088 -0.9525 -0.9521 -0.9167 -0.9167 -0.8553 -0.8553 4.9975 4.9979 6.9812 6.9825 7.5535 7.5541 8.2674 8.2674 8.4736 8.4747 8.9773 8.9816 k = 0.0000 0.1398-0.0000 ( 7538 PWs) bands (ev): -27.0797 -27.0797 -27.0759 -27.0759 -20.6519 -20.6519 -20.5921 -20.5920 -18.8050 -18.8050 -18.7607 -18.7607 -18.7454 -18.7454 -18.7036 -18.7036 -10.7636 -10.7620 -10.7458 -10.7435 -10.5230 -10.5197 -10.4957 -10.4938 -10.4667 -10.4640 -10.4619 -10.4582 -6.9395 -6.9391 -6.6023 -6.6023 -6.5971 -6.5971 -6.5537 -6.5535 -3.6991 -3.6945 -3.5117 -3.5081 -3.3121 -3.3117 -3.0277 -3.0260 -1.9145 -1.9013 -1.8832 -1.8514 -1.8390 -1.8357 -1.8213 -1.8157 -1.7582 -1.7538 -1.7231 -1.7050 -1.1090 -1.1084 -0.9530 -0.9526 -0.9165 -0.9164 -0.8579 -0.8579 4.9442 4.9446 6.9601 6.9614 7.5291 7.5297 8.2820 8.2820 8.4864 8.4878 8.9738 8.9783 k = 0.0000 0.1271-0.0000 ( 7526 PWs) bands (ev): -27.0798 -27.0798 -27.0759 -27.0759 -20.6517 -20.6516 -20.5920 -20.5920 -18.8047 -18.8047 -18.7605 -18.7604 -18.7456 -18.7456 -18.7040 -18.7040 -10.7631 -10.7616 -10.7460 -10.7438 -10.5223 -10.5192 -10.4959 -10.4941 -10.4668 -10.4643 -10.4619 -10.4584 -6.9394 -6.9391 -6.6019 -6.6019 -6.5969 -6.5969 -6.5538 -6.5537 -3.6959 -3.6913 -3.5195 -3.5158 -3.3117 -3.3114 -3.0197 -3.0181 -1.9097 -1.9004 -1.8765 -1.8490 -1.8321 -1.8266 -1.8223 -1.8156 -1.7590 -1.7559 -1.7301 -1.7127 -1.1086 -1.1081 -0.9535 -0.9531 -0.9162 -0.9162 -0.8603 -0.8603 4.8948 4.8952 6.9407 6.9420 7.5059 7.5065 8.2866 8.2867 8.5062 8.5078 8.9671 8.9718 k = 0.0000 0.1143-0.0000 ( 7522 PWs) bands (ev): -27.0798 -27.0798 -27.0759 -27.0759 -20.6514 -20.6514 -20.5920 -20.5920 -18.8045 -18.8045 -18.7602 -18.7602 -18.7459 -18.7459 -18.7044 -18.7043 -10.7626 -10.7612 -10.7462 -10.7441 -10.5217 -10.5187 -10.4960 -10.4944 -10.4669 -10.4646 -10.4619 -10.4587 -6.9393 -6.9390 -6.6016 -6.6016 -6.5968 -6.5968 -6.5539 -6.5538 -3.6925 -3.6881 -3.5271 -3.5234 -3.3114 -3.3112 -3.0121 -3.0106 -1.9064 -1.9009 -1.8703 -1.8467 -1.8247 -1.8236 -1.8171 -1.8154 -1.7596 -1.7587 -1.7356 -1.7197 -1.1082 -1.1077 -0.9539 -0.9536 -0.9160 -0.9160 -0.8626 -0.8626 4.8497 4.8500 6.9232 6.9243 7.4842 7.4848 8.2842 8.2843 8.5306 8.5325 8.9575 8.9623 k = 0.0000 0.1016-0.0000 ( 7526 PWs) bands (ev): -27.0799 -27.0799 -27.0759 -27.0759 -20.6512 -20.6512 -20.5919 -20.5919 -18.8043 -18.8042 -18.7600 -18.7600 -18.7461 -18.7461 -18.7047 -18.7047 -10.7622 -10.7609 -10.7463 -10.7444 -10.5210 -10.5183 -10.4961 -10.4947 -10.4670 -10.4648 -10.4618 -10.4589 -6.9393 -6.9390 -6.6013 -6.6013 -6.5967 -6.5967 -6.5540 -6.5539 -3.6891 -3.6848 -3.5344 -3.5308 -3.3111 -3.3109 -3.0049 -3.0035 -1.9043 -1.9019 -1.8651 -1.8446 -1.8249 -1.8181 -1.8143 -1.8076 -1.7622 -1.7600 -1.7395 -1.7260 -1.1078 -1.1074 -0.9544 -0.9540 -0.9158 -0.9158 -0.8648 -0.8647 4.8088 4.8091 6.9075 6.9086 7.4644 7.4649 8.2776 8.2777 8.5571 8.5592 8.9454 8.9501 k = 0.0000 0.0889-0.0000 ( 7530 PWs) bands (ev): -27.0800 -27.0800 -27.0759 -27.0759 -20.6511 -20.6511 -20.5919 -20.5919 -18.8040 -18.8040 -18.7597 -18.7597 -18.7463 -18.7463 -18.7050 -18.7050 -10.7617 -10.7606 -10.7465 -10.7447 -10.5204 -10.5179 -10.4963 -10.4950 -10.4670 -10.4651 -10.4618 -10.4592 -6.9392 -6.9390 -6.6010 -6.6010 -6.5966 -6.5966 -6.5542 -6.5541 -3.6856 -3.6815 -3.5413 -3.5378 -3.3108 -3.3107 -2.9982 -2.9969 -1.9032 -1.9030 -1.8608 -1.8426 -1.8262 -1.8166 -1.8088 -1.7986 -1.7660 -1.7601 -1.7421 -1.7315 -1.1075 -1.1071 -0.9547 -0.9544 -0.9156 -0.9156 -0.8667 -0.8667 4.7724 4.7726 6.8936 6.8946 7.4465 7.4471 8.2690 8.2691 8.5838 8.5862 8.9312 8.9359 k = 0.0000 0.0762-0.0000 ( 7514 PWs) bands (ev): -27.0800 -27.0800 -27.0760 -27.0760 -20.6509 -20.6509 -20.5919 -20.5918 -18.8038 -18.8038 -18.7595 -18.7595 -18.7465 -18.7465 -18.7053 -18.7052 -10.7613 -10.7603 -10.7466 -10.7450 -10.5198 -10.5176 -10.4964 -10.4952 -10.4670 -10.4654 -10.4617 -10.4594 -6.9392 -6.9389 -6.6008 -6.6008 -6.5965 -6.5965 -6.5542 -6.5542 -3.6822 -3.6783 -3.5477 -3.5444 -3.3106 -3.3104 -2.9922 -2.9910 -1.9041 -1.9027 -1.8571 -1.8409 -1.8274 -1.8168 -1.8026 -1.7903 -1.7698 -1.7597 -1.7437 -1.7363 -1.1072 -1.1069 -0.9551 -0.9548 -0.9154 -0.9154 -0.8685 -0.8685 4.7405 4.7408 6.8816 6.8825 7.4309 7.4314 8.2600 8.2600 8.6099 8.6124 8.9155 8.9200 k = 0.0000 0.0635-0.0000 ( 7506 PWs) bands (ev): -27.0800 -27.0800 -27.0760 -27.0760 -20.6508 -20.6507 -20.5918 -20.5918 -18.8037 -18.8037 -18.7593 -18.7593 -18.7466 -18.7466 -18.7055 -18.7055 -10.7609 -10.7601 -10.7466 -10.7453 -10.5192 -10.5173 -10.4964 -10.4955 -10.4670 -10.4656 -10.4616 -10.4596 -6.9391 -6.9389 -6.6006 -6.6006 -6.5964 -6.5964 -6.5543 -6.5543 -3.6788 -3.6753 -3.5535 -3.5505 -3.3103 -3.3102 -2.9868 -2.9858 -1.9051 -1.9028 -1.8541 -1.8397 -1.8282 -1.8174 -1.7975 -1.7833 -1.7728 -1.7588 -1.7448 -1.7403 -1.1069 -1.1067 -0.9553 -0.9551 -0.9152 -0.9152 -0.8700 -0.8700 4.7134 4.7136 6.8715 6.8722 7.4176 7.4180 8.2513 8.2514 8.6346 8.6372 8.8990 8.9033 k = 0.0000 0.0508-0.0000 ( 7508 PWs) bands (ev): -27.0801 -27.0801 -27.0760 -27.0760 -20.6506 -20.6506 -20.5918 -20.5918 -18.8035 -18.8035 -18.7592 -18.7592 -18.7468 -18.7468 -18.7057 -18.7057 -10.7606 -10.7600 -10.7467 -10.7456 -10.5187 -10.5172 -10.4965 -10.4957 -10.4670 -10.4659 -10.4614 -10.4599 -6.9391 -6.9389 -6.6004 -6.6004 -6.5963 -6.5963 -6.5544 -6.5543 -3.6757 -3.6727 -3.5585 -3.5558 -3.3101 -3.3100 -2.9823 -2.9815 -1.9059 -1.9033 -1.8514 -1.8392 -1.8283 -1.8182 -1.7937 -1.7796 -1.7729 -1.7574 -1.7455 -1.7437 -1.1067 -1.1065 -0.9556 -0.9554 -0.9150 -0.9150 -0.8713 -0.8713 4.6910 4.6912 6.8632 6.8637 7.4066 7.4069 8.2436 8.2437 8.6575 8.6601 8.8823 8.8863 k = 0.0000 0.0381-0.0000 ( 7504 PWs) bands (ev): -27.0801 -27.0801 -27.0760 -27.0760 -20.6505 -20.6505 -20.5918 -20.5918 -18.8034 -18.8034 -18.7591 -18.7591 -18.7469 -18.7469 -18.7059 -18.7058 -10.7603 -10.7598 -10.7467 -10.7458 -10.5182 -10.5171 -10.4965 -10.4959 -10.4669 -10.4661 -10.4613 -10.4601 -6.9390 -6.9389 -6.6003 -6.6003 -6.5962 -6.5962 -6.5544 -6.5544 -3.6729 -3.6705 -3.5625 -3.5604 -3.3099 -3.3099 -2.9787 -2.9780 -1.9064 -1.9041 -1.8491 -1.8396 -1.8276 -1.8192 -1.7910 -1.7808 -1.7687 -1.7558 -1.7465 -1.7462 -1.1065 -1.1064 -0.9557 -0.9556 -0.9149 -0.9149 -0.8724 -0.8724 4.6736 4.6737 6.8567 6.8571 7.3980 7.3982 8.2373 8.2373 8.6781 8.6805 8.8664 8.8699 k = 0.0000 0.0254-0.0000 ( 7496 PWs) bands (ev): -27.0801 -27.0801 -27.0760 -27.0760 -20.6505 -20.6505 -20.5918 -20.5918 -18.8033 -18.8033 -18.7590 -18.7590 -18.7470 -18.7470 -18.7060 -18.7060 -10.7601 -10.7598 -10.7466 -10.7461 -10.5178 -10.5171 -10.4965 -10.4961 -10.4668 -10.4663 -10.4611 -10.4603 -6.9390 -6.9389 -6.6002 -6.6002 -6.5961 -6.5961 -6.5545 -6.5544 -3.6706 -3.6690 -3.5654 -3.5639 -3.3098 -3.3097 -2.9761 -2.9756 -1.9066 -1.9049 -1.8470 -1.8406 -1.8264 -1.8204 -1.7891 -1.7827 -1.7643 -1.7548 -1.7484 -1.7468 -1.1064 -1.1063 -0.9559 -0.9558 -0.9148 -0.9148 -0.8731 -0.8731 4.6611 4.6612 6.8521 6.8524 7.3918 7.3920 8.2326 8.2327 8.6953 8.6974 8.8526 8.8553 k = 0.0000 0.0127-0.0000 ( 7491 PWs) bands (ev): -27.0801 -27.0801 -27.0760 -27.0760 -20.6504 -20.6504 -20.5918 -20.5918 -18.8033 -18.8033 -18.7589 -18.7589 -18.7470 -18.7470 -18.7060 -18.7060 -10.7599 -10.7597 -10.7466 -10.7463 -10.5175 -10.5171 -10.4965 -10.4963 -10.4667 -10.4665 -10.4610 -10.4606 -6.9390 -6.9389 -6.6002 -6.6002 -6.5961 -6.5961 -6.5545 -6.5545 -3.6690 -3.6681 -3.5670 -3.5662 -3.3097 -3.3097 -2.9744 -2.9742 -1.9066 -1.9056 -1.8452 -1.8420 -1.8249 -1.8218 -1.7875 -1.7845 -1.7605 -1.7553 -1.7489 -1.7475 -1.1063 -1.1062 -0.9559 -0.9559 -0.9147 -0.9147 -0.8736 -0.8736 4.6536 4.6536 6.8494 6.8495 7.3882 7.3883 8.2298 8.2298 8.7076 8.7088 8.8430 8.8445 k = 0.0000 0.0000 0.0000 ( 7491 PWs) bands (ev): -27.0801 -27.0801 -27.0760 -27.0760 -20.6504 -20.6504 -20.5918 -20.5918 -18.8033 -18.8033 -18.7589 -18.7589 -18.7470 -18.7470 -18.7060 -18.7060 -10.7598 -10.7598 -10.7464 -10.7464 -10.5173 -10.5173 -10.4964 -10.4964 -10.4666 -10.4666 -10.4608 -10.4608 -6.9389 -6.9389 -6.6002 -6.6002 -6.5961 -6.5961 -6.5545 -6.5545 -3.6682 -3.6682 -3.5673 -3.5673 -3.3097 -3.3097 -2.9738 -2.9738 -1.9062 -1.9062 -1.8435 -1.8435 -1.8233 -1.8233 -1.7860 -1.7860 -1.7574 -1.7574 -1.7483 -1.7483 -1.1062 -1.1062 -0.9559 -0.9559 -0.9147 -0.9147 -0.8737 -0.8737 4.6511 4.6511 6.8485 6.8485 7.3870 7.3870 8.2288 8.2288 8.7125 8.7125 8.8399 8.8399 k = 0.0000 0.0000 0.0000 ( 7491 PWs) bands (ev): -27.0801 -27.0801 -27.0760 -27.0760 -20.6504 -20.6504 -20.5918 -20.5918 -18.8033 -18.8033 -18.7589 -18.7589 -18.7470 -18.7470 -18.7060 -18.7060 -10.7598 -10.7598 -10.7464 -10.7464 -10.5173 -10.5173 -10.4964 -10.4964 -10.4666 -10.4666 -10.4608 -10.4608 -6.9389 -6.9389 -6.6002 -6.6002 -6.5961 -6.5961 -6.5545 -6.5545 -3.6682 -3.6682 -3.5673 -3.5673 -3.3097 -3.3097 -2.9738 -2.9738 -1.9062 -1.9062 -1.8435 -1.8435 -1.8233 -1.8233 -1.7860 -1.7860 -1.7574 -1.7574 -1.7483 -1.7483 -1.1062 -1.1062 -0.9559 -0.9559 -0.9147 -0.9147 -0.8737 -0.8737 4.6511 4.6511 6.8485 6.8485 7.3870 7.3870 8.2288 8.2288 8.7125 8.7125 8.8399 8.8399 k = 0.0000 0.0000 0.0128 ( 7491 PWs) bands (ev): -27.0801 -27.0801 -27.0760 -27.0760 -20.6503 -20.6503 -20.5919 -20.5919 -18.8031 -18.8031 -18.7589 -18.7589 -18.7471 -18.7471 -18.7062 -18.7062 -10.7598 -10.7598 -10.7465 -10.7465 -10.5173 -10.5173 -10.4964 -10.4964 -10.4666 -10.4666 -10.4608 -10.4608 -6.9383 -6.9383 -6.6002 -6.6002 -6.5961 -6.5961 -6.5553 -6.5553 -3.6674 -3.6674 -3.5672 -3.5672 -3.3095 -3.3095 -2.9746 -2.9746 -1.9060 -1.9060 -1.8435 -1.8435 -1.8233 -1.8233 -1.7863 -1.7863 -1.7574 -1.7574 -1.7482 -1.7482 -1.1060 -1.1060 -0.9563 -0.9563 -0.9146 -0.9146 -0.8738 -0.8738 4.6537 4.6537 6.8312 6.8312 7.4035 7.4035 8.2295 8.2295 8.7123 8.7123 8.8403 8.8403 k = 0.0000 0.0000 0.0257 ( 7503 PWs) bands (ev): -27.0801 -27.0801 -27.0761 -27.0761 -20.6500 -20.6500 -20.5922 -20.5922 -18.8025 -18.8025 -18.7588 -18.7588 -18.7471 -18.7471 -18.7068 -18.7068 -10.7597 -10.7597 -10.7465 -10.7465 -10.5171 -10.5171 -10.4966 -10.4966 -10.4666 -10.4666 -10.4608 -10.4608 -6.9363 -6.9363 -6.6001 -6.6001 -6.5961 -6.5961 -6.5578 -6.5578 -3.6650 -3.6650 -3.5669 -3.5669 -3.3090 -3.3090 -2.9770 -2.9770 -1.9055 -1.9055 -1.8436 -1.8436 -1.8234 -1.8234 -1.7869 -1.7869 -1.7574 -1.7574 -1.7482 -1.7482 -1.1054 -1.1054 -0.9575 -0.9575 -0.9144 -0.9144 -0.8740 -0.8740 4.6617 4.6617 6.7846 6.7846 7.4479 7.4479 8.2316 8.2316 8.7117 8.7117 8.8413 8.8413 k = 0.0000 0.0000 0.0385 ( 7517 PWs) bands (ev): -27.0801 -27.0801 -27.0761 -27.0761 -20.6495 -20.6495 -20.5928 -20.5928 -18.8016 -18.8016 -18.7587 -18.7587 -18.7473 -18.7473 -18.7077 -18.7077 -10.7596 -10.7596 -10.7467 -10.7467 -10.5170 -10.5170 -10.4968 -10.4968 -10.4665 -10.4665 -10.4609 -10.4609 -6.9331 -6.9331 -6.6001 -6.6001 -6.5962 -6.5962 -6.5620 -6.5620 -3.6612 -3.6612 -3.5664 -3.5664 -3.3083 -3.3083 -2.9811 -2.9811 -1.9047 -1.9047 -1.8437 -1.8437 -1.8234 -1.8234 -1.7880 -1.7880 -1.7575 -1.7575 -1.7481 -1.7481 -1.1044 -1.1044 -0.9593 -0.9593 -0.9140 -0.9140 -0.8744 -0.8744 4.6748 4.6748 6.7188 6.7188 7.5100 7.5100 8.2349 8.2349 8.7108 8.7108 8.8430 8.8430 k = 0.0000 0.0000 0.0514 ( 7513 PWs) bands (ev): -27.0800 -27.0800 -27.0761 -27.0761 -20.6487 -20.6487 -20.5936 -20.5936 -18.8003 -18.8003 -18.7585 -18.7585 -18.7474 -18.7474 -18.7089 -18.7089 -10.7594 -10.7594 -10.7469 -10.7469 -10.5167 -10.5167 -10.4971 -10.4971 -10.4665 -10.4665 -10.4610 -10.4610 -6.9286 -6.9286 -6.6001 -6.6001 -6.5962 -6.5962 -6.5677 -6.5677 -3.6559 -3.6559 -3.5657 -3.5657 -3.3070 -3.3070 -2.9868 -2.9868 -1.9036 -1.9036 -1.8439 -1.8439 -1.8235 -1.8235 -1.7894 -1.7894 -1.7574 -1.7574 -1.7480 -1.7480 -1.1029 -1.1029 -0.9619 -0.9619 -0.9135 -0.9135 -0.8749 -0.8749 4.6932 4.6932 6.6416 6.6416 7.5818 7.5818 8.2395 8.2395 8.7096 8.7096 8.8452 8.8452 k = 0.0000 0.0000 0.0642 ( 7503 PWs) bands (ev): -27.0799 -27.0799 -27.0762 -27.0762 -20.6478 -20.6478 -20.5946 -20.5946 -18.7986 -18.7986 -18.7583 -18.7583 -18.7476 -18.7476 -18.7105 -18.7105 -10.7592 -10.7592 -10.7471 -10.7471 -10.5164 -10.5164 -10.4974 -10.4974 -10.4664 -10.4664 -10.4611 -10.4611 -6.9228 -6.9228 -6.6000 -6.6000 -6.5963 -6.5963 -6.5749 -6.5749 -3.6494 -3.6494 -3.5649 -3.5649 -3.3053 -3.3053 -2.9940 -2.9940 -1.9022 -1.9022 -1.8441 -1.8441 -1.8236 -1.8236 -1.7912 -1.7912 -1.7574 -1.7574 -1.7479 -1.7479 -1.1010 -1.1010 -0.9652 -0.9652 -0.9127 -0.9127 -0.8756 -0.8756 4.7167 4.7167 6.5579 6.5579 7.6584 7.6584 8.2453 8.2453 8.7084 8.7084 8.8481 8.8481 k = 0.0000 0.0000 0.0771 ( 7501 PWs) bands (ev): -27.0798 -27.0798 -27.0763 -27.0763 -20.6467 -20.6467 -20.5959 -20.5959 -18.7966 -18.7966 -18.7581 -18.7581 -18.7479 -18.7479 -18.7124 -18.7124 -10.7589 -10.7589 -10.7473 -10.7473 -10.5160 -10.5160 -10.4979 -10.4979 -10.4663 -10.4663 -10.4612 -10.4612 -6.9158 -6.9158 -6.5999 -6.5999 -6.5964 -6.5964 -6.5836 -6.5836 -3.6419 -3.6419 -3.5639 -3.5639 -3.3031 -3.3031 -3.0027 -3.0027 -1.9004 -1.9004 -1.8445 -1.8445 -1.8237 -1.8237 -1.7933 -1.7933 -1.7573 -1.7573 -1.7479 -1.7479 -1.0987 -1.0987 -0.9690 -0.9690 -0.9119 -0.9119 -0.8764 -0.8764 4.7452 4.7452 6.4703 6.4703 7.7367 7.7367 8.2522 8.2522 8.7073 8.7073 8.8513 8.8513 k = 0.0000 0.0000 0.0899 ( 7499 PWs) bands (ev): -27.0797 -27.0797 -27.0764 -27.0764 -20.6453 -20.6453 -20.5973 -20.5973 -18.7943 -18.7943 -18.7578 -18.7578 -18.7482 -18.7482 -18.7146 -18.7146 -10.7586 -10.7586 -10.7477 -10.7477 -10.5155 -10.5155 -10.4984 -10.4984 -10.4661 -10.4661 -10.4613 -10.4613 -6.9077 -6.9077 -6.5998 -6.5998 -6.5965 -6.5965 -6.5936 -6.5936 -3.6335 -3.6335 -3.5628 -3.5628 -3.3000 -3.3000 -3.0129 -3.0129 -1.8984 -1.8984 -1.8450 -1.8450 -1.8238 -1.8238 -1.7956 -1.7956 -1.7571 -1.7571 -1.7479 -1.7479 -1.0960 -1.0960 -0.9735 -0.9735 -0.9109 -0.9109 -0.8773 -0.8773 4.7786 4.7786 6.3806 6.3806 7.8148 7.8148 8.2599 8.2599 8.7068 8.7068 8.8549 8.8549 k = 0.0000 0.0000 0.1028 ( 7491 PWs) bands (ev): -27.0796 -27.0796 -27.0765 -27.0765 -20.6438 -20.6438 -20.5989 -20.5989 -18.7917 -18.7917 -18.7575 -18.7575 -18.7485 -18.7485 -18.7171 -18.7171 -10.7582 -10.7582 -10.7480 -10.7480 -10.5149 -10.5149 -10.4989 -10.4989 -10.4660 -10.4660 -10.4615 -10.4615 -6.8984 -6.8984 -6.6050 -6.6050 -6.5997 -6.5997 -6.5965 -6.5965 -3.6246 -3.6246 -3.5616 -3.5616 -3.2961 -3.2961 -3.0244 -3.0244 -1.8962 -1.8962 -1.8456 -1.8456 -1.8238 -1.8238 -1.7981 -1.7981 -1.7568 -1.7568 -1.7480 -1.7480 -1.0929 -1.0929 -0.9784 -0.9784 -0.9098 -0.9098 -0.8784 -0.8784 4.8168 4.8168 6.2898 6.2898 7.8912 7.8912 8.2683 8.2683 8.7070 8.7070 8.8586 8.8586 k = 0.0000 0.0000 0.1156 ( 7492 PWs) bands (ev): -27.0795 -27.0795 -27.0766 -27.0766 -20.6422 -20.6422 -20.6007 -20.6007 -18.7887 -18.7887 -18.7571 -18.7571 -18.7488 -18.7488 -18.7199 -18.7199 -10.7579 -10.7579 -10.7484 -10.7484 -10.5144 -10.5144 -10.4996 -10.4996 -10.4658 -10.4658 -10.4617 -10.4617 -6.8880 -6.8880 -6.6174 -6.6174 -6.5996 -6.5996 -6.5967 -6.5967 -3.6154 -3.6154 -3.5603 -3.5603 -3.2912 -3.2912 -3.0373 -3.0373 -1.8937 -1.8937 -1.8464 -1.8464 -1.8238 -1.8238 -1.8007 -1.8007 -1.7565 -1.7565 -1.7482 -1.7482 -1.0893 -1.0893 -0.9839 -0.9839 -0.9086 -0.9086 -0.8796 -0.8796 4.8597 4.8597 6.1986 6.1986 7.9647 7.9647 8.2772 8.2772 8.7084 8.7084 8.8622 8.8622 k = 0.0000 0.0000 0.1285 ( 7506 PWs) bands (ev): -27.0794 -27.0794 -27.0768 -27.0768 -20.6403 -20.6403 -20.6027 -20.6027 -18.7856 -18.7856 -18.7567 -18.7567 -18.7493 -18.7493 -18.7230 -18.7230 -10.7574 -10.7574 -10.7488 -10.7488 -10.5137 -10.5137 -10.5003 -10.5003 -10.4657 -10.4657 -10.4619 -10.4619 -6.8767 -6.8767 -6.6308 -6.6308 -6.5995 -6.5995 -6.5968 -6.5968 -3.6062 -3.6062 -3.5591 -3.5591 -3.2851 -3.2851 -3.0513 -3.0513 -1.8910 -1.8910 -1.8474 -1.8474 -1.8238 -1.8238 -1.8033 -1.8033 -1.7562 -1.7562 -1.7484 -1.7484 -1.0854 -1.0854 -0.9897 -0.9897 -0.9072 -0.9072 -0.8809 -0.8809 4.9069 4.9069 6.1075 6.1075 8.0340 8.0340 8.2864 8.2864 8.7117 8.7117 8.8655 8.8655 k = 0.0000 0.0000 0.1413 ( 7496 PWs) bands (ev): -27.0792 -27.0792 -27.0769 -27.0769 -20.6384 -20.6384 -20.6047 -20.6047 -18.7822 -18.7822 -18.7563 -18.7563 -18.7497 -18.7497 -18.7262 -18.7262 -10.7570 -10.7570 -10.7493 -10.7493 -10.5130 -10.5130 -10.5010 -10.5010 -10.4655 -10.4655 -10.4621 -10.4621 -6.8644 -6.8644 -6.6451 -6.6451 -6.5993 -6.5993 -6.5970 -6.5970 -3.5974 -3.5974 -3.5580 -3.5580 -3.2777 -3.2777 -3.0663 -3.0663 -1.8881 -1.8881 -1.8487 -1.8487 -1.8236 -1.8236 -1.8058 -1.8058 -1.7558 -1.7558 -1.7487 -1.7487 -1.0811 -1.0811 -0.9958 -0.9958 -0.9058 -0.9058 -0.8823 -0.8823 4.9585 4.9585 6.0169 6.0169 8.0979 8.0979 8.2956 8.2956 8.7172 8.7172 8.8680 8.8680 k = 0.0000 0.0000 0.1542 ( 7498 PWs) bands (ev): -27.0791 -27.0791 -27.0770 -27.0770 -20.6363 -20.6363 -20.6070 -20.6070 -18.7786 -18.7786 -18.7558 -18.7558 -18.7502 -18.7502 -18.7297 -18.7297 -10.7565 -10.7565 -10.7498 -10.7498 -10.5122 -10.5122 -10.5018 -10.5018 -10.4653 -10.4653 -10.4623 -10.4623 -6.8512 -6.8512 -6.6602 -6.6602 -6.5992 -6.5992 -6.5971 -6.5971 -3.5890 -3.5890 -3.5569 -3.5569 -3.2688 -3.2688 -3.0823 -3.0823 -1.8851 -1.8851 -1.8503 -1.8503 -1.8234 -1.8234 -1.8083 -1.8083 -1.7553 -1.7553 -1.7490 -1.7490 -1.0765 -1.0765 -1.0022 -1.0022 -0.9043 -0.9043 -0.8838 -0.8838 5.0142 5.0142 5.9272 5.9272 8.1551 8.1551 8.3045 8.3045 8.7257 8.7257 8.8694 8.8694 k = 0.0000 0.0000 0.1670 ( 7488 PWs) bands (ev): -27.0789 -27.0789 -27.0772 -27.0772 -20.6340 -20.6340 -20.6093 -20.6093 -18.7748 -18.7748 -18.7553 -18.7553 -18.7507 -18.7507 -18.7334 -18.7334 -10.7560 -10.7560 -10.7503 -10.7503 -10.5114 -10.5114 -10.5026 -10.5026 -10.4650 -10.4650 -10.4626 -10.4626 -6.8372 -6.8372 -6.6758 -6.6758 -6.5990 -6.5990 -6.5973 -6.5973 -3.5815 -3.5815 -3.5561 -3.5561 -3.2584 -3.2584 -3.0990 -3.0990 -1.8820 -1.8820 -1.8522 -1.8522 -1.8230 -1.8230 -1.8106 -1.8106 -1.7548 -1.7548 -1.7494 -1.7494 -1.0714 -1.0714 -1.0087 -1.0087 -0.9027 -0.9027 -0.8853 -0.8853 5.0737 5.0737 5.8387 5.8387 8.2044 8.2044 8.3127 8.3127 8.7374 8.7374 8.8692 8.8692 k = 0.0000 0.0000 0.1799 ( 7498 PWs) bands (ev): -27.0788 -27.0788 -27.0774 -27.0774 -20.6317 -20.6317 -20.6117 -20.6117 -18.7709 -18.7709 -18.7548 -18.7548 -18.7512 -18.7512 -18.7372 -18.7372 -10.7554 -10.7554 -10.7508 -10.7508 -10.5106 -10.5106 -10.5035 -10.5035 -10.4648 -10.4648 -10.4628 -10.4628 -6.8225 -6.8225 -6.6920 -6.6920 -6.5988 -6.5988 -6.5974 -6.5974 -3.5749 -3.5749 -3.5556 -3.5556 -3.2466 -3.2466 -3.1163 -3.1163 -1.8787 -1.8787 -1.8544 -1.8544 -1.8226 -1.8226 -1.8128 -1.8128 -1.7543 -1.7543 -1.7499 -1.7499 -1.0661 -1.0661 -1.0154 -1.0154 -0.9010 -0.9010 -0.8870 -0.8870 5.1370 5.1370 5.7517 5.7517 8.2450 8.2450 8.3198 8.3198 8.7524 8.7524 8.8667 8.8667 k = 0.0000 0.0000 0.1927 ( 7514 PWs) bands (ev): -27.0786 -27.0786 -27.0775 -27.0775 -20.6293 -20.6293 -20.6142 -20.6142 -18.7669 -18.7669 -18.7542 -18.7542 -18.7518 -18.7518 -18.7411 -18.7411 -10.7549 -10.7549 -10.7514 -10.7514 -10.5098 -10.5098 -10.5044 -10.5044 -10.4646 -10.4646 -10.4631 -10.4631 -6.8072 -6.8072 -6.7085 -6.7085 -6.5987 -6.5987 -6.5976 -6.5976 -3.5693 -3.5693 -3.5555 -3.5555 -3.2333 -3.2333 -3.1339 -3.1339 -1.8754 -1.8754 -1.8568 -1.8568 -1.8220 -1.8220 -1.8147 -1.8147 -1.7538 -1.7538 -1.7504 -1.7504 -1.0605 -1.0605 -1.0221 -1.0221 -0.8993 -0.8993 -0.8887 -0.8887 5.2038 5.2038 5.6664 5.6664 8.2767 8.2767 8.3252 8.3252 8.7700 8.7700 8.8615 8.8615 k = 0.0000 0.0000 0.2056 ( 7536 PWs) bands (ev): -27.0784 -27.0784 -27.0777 -27.0777 -20.6269 -20.6269 -20.6167 -20.6167 -18.7629 -18.7629 -18.7536 -18.7536 -18.7525 -18.7525 -18.7451 -18.7451 -10.7543 -10.7543 -10.7520 -10.7520 -10.5089 -10.5089 -10.5053 -10.5053 -10.4644 -10.4644 -10.4634 -10.4634 -6.7914 -6.7914 -6.7251 -6.7251 -6.5985 -6.5985 -6.5978 -6.5978 -3.5647 -3.5647 -3.5559 -3.5559 -3.2187 -3.2187 -3.1516 -3.1516 -1.8721 -1.8721 -1.8596 -1.8596 -1.8212 -1.8212 -1.8164 -1.8164 -1.7532 -1.7532 -1.7509 -1.7509 -1.0545 -1.0545 -1.0288 -1.0288 -0.8975 -0.8975 -0.8904 -0.8904 5.2739 5.2739 5.5830 5.5830 8.2998 8.2998 8.3283 8.3283 8.7892 8.7892 8.8531 8.8531 k = 0.0000 0.0000 0.2184 ( 7526 PWs) bands (ev): -27.0783 -27.0783 -27.0779 -27.0779 -20.6243 -20.6243 -20.6192 -20.6192 -18.7590 -18.7590 -18.7535 -18.7535 -18.7528 -18.7528 -18.7487 -18.7487 -10.7537 -10.7537 -10.7526 -10.7526 -10.5080 -10.5080 -10.5062 -10.5062 -10.4641 -10.4641 -10.4636 -10.4636 -6.7751 -6.7751 -6.7419 -6.7419 -6.5983 -6.5983 -6.5980 -6.5980 -3.5612 -3.5612 -3.5569 -3.5569 -3.2030 -3.2030 -3.1692 -3.1692 -1.8688 -1.8688 -1.8625 -1.8625 -1.8203 -1.8203 -1.8179 -1.8179 -1.7526 -1.7526 -1.7515 -1.7515 -1.0484 -1.0484 -1.0355 -1.0355 -0.8957 -0.8957 -0.8922 -0.8922 5.3471 5.3471 5.5019 5.5019 8.3153 8.3153 8.3284 8.3284 8.8085 8.8085 8.8413 8.8413 k = 0.0000 0.0000 0.2313 ( 7522 PWs) bands (ev): -27.0781 -27.0781 -27.0781 -27.0781 -20.6218 -20.6218 -20.6218 -20.6218 -18.7555 -18.7555 -18.7555 -18.7555 -18.7515 -18.7515 -18.7515 -18.7515 -10.7532 -10.7532 -10.7532 -10.7532 -10.5071 -10.5071 -10.5071 -10.5071 -10.4639 -10.4639 -10.4639 -10.4639 -6.7586 -6.7586 -6.7586 -6.7586 -6.5982 -6.5982 -6.5982 -6.5982 -3.5586 -3.5586 -3.5586 -3.5586 -3.1864 -3.1864 -3.1864 -3.1864 -1.8656 -1.8656 -1.8656 -1.8656 -1.8192 -1.8192 -1.8192 -1.8192 -1.7521 -1.7521 -1.7521 -1.7521 -1.0420 -1.0420 -1.0420 -1.0420 -0.8939 -0.8939 -0.8939 -0.8939 5.4232 5.4232 5.4232 5.4232 8.3244 8.3244 8.3244 8.3244 8.8262 8.8262 8.8262 8.8262 k = 0.0000 0.0000 0.2313 ( 7522 PWs) bands (ev): -27.0781 -27.0781 -27.0781 -27.0781 -20.6218 -20.6218 -20.6218 -20.6218 -18.7555 -18.7555 -18.7555 -18.7555 -18.7515 -18.7515 -18.7515 -18.7515 -10.7532 -10.7532 -10.7532 -10.7532 -10.5071 -10.5071 -10.5071 -10.5071 -10.4639 -10.4639 -10.4639 -10.4639 -6.7586 -6.7586 -6.7586 -6.7586 -6.5982 -6.5982 -6.5982 -6.5982 -3.5586 -3.5586 -3.5586 -3.5586 -3.1864 -3.1864 -3.1864 -3.1864 -1.8656 -1.8656 -1.8656 -1.8656 -1.8192 -1.8192 -1.8192 -1.8192 -1.7521 -1.7521 -1.7521 -1.7521 -1.0420 -1.0420 -1.0420 -1.0420 -0.8939 -0.8939 -0.8939 -0.8939 5.4232 5.4232 5.4232 5.4232 8.3244 8.3244 8.3244 8.3244 8.8262 8.8262 8.8262 8.8262 k = 0.0128-0.0000 0.2313 ( 7522 PWs) bands (ev): -27.0781 -27.0781 -27.0781 -27.0781 -20.6217 -20.6217 -20.6217 -20.6217 -18.7556 -18.7556 -18.7556 -18.7556 -18.7515 -18.7515 -18.7515 -18.7515 -10.7538 -10.7538 -10.7526 -10.7526 -10.5074 -10.5074 -10.5069 -10.5069 -10.4649 -10.4649 -10.4631 -10.4631 -6.7589 -6.7589 -6.7588 -6.7588 -6.5982 -6.5982 -6.5980 -6.5980 -3.5587 -3.5587 -3.5583 -3.5583 -3.1870 -3.1870 -3.1866 -3.1866 -1.8703 -1.8703 -1.8620 -1.8620 -1.8233 -1.8233 -1.8134 -1.8134 -1.7532 -1.7532 -1.7504 -1.7504 -1.0428 -1.0428 -1.0426 -1.0426 -0.8937 -0.8937 -0.8935 -0.8935 5.4253 5.4253 5.4254 5.4254 8.3254 8.3254 8.3255 8.3255 8.8262 8.8262 8.8263 8.8263 k = 0.0256-0.0000 0.2313 ( 7526 PWs) bands (ev): -27.0780 -27.0780 -27.0780 -27.0780 -20.6214 -20.6214 -20.6213 -20.6213 -18.7557 -18.7557 -18.7557 -18.7557 -18.7518 -18.7518 -18.7518 -18.7518 -10.7546 -10.7546 -10.7521 -10.7521 -10.5077 -10.5077 -10.5067 -10.5067 -10.4662 -10.4662 -10.4626 -10.4626 -6.7598 -6.7598 -6.7597 -6.7597 -6.5980 -6.5980 -6.5978 -6.5978 -3.5587 -3.5587 -3.5579 -3.5579 -3.1882 -3.1882 -3.1876 -3.1876 -1.8755 -1.8755 -1.8605 -1.8605 -1.8249 -1.8249 -1.8066 -1.8066 -1.7538 -1.7538 -1.7483 -1.7483 -1.0451 -1.0451 -1.0447 -1.0447 -0.8929 -0.8929 -0.8924 -0.8924 5.4318 5.4318 5.4319 5.4319 8.3285 8.3285 8.3287 8.3287 8.8262 8.8262 8.8265 8.8265 k = 0.0385-0.0000 0.2313 ( 7528 PWs) bands (ev): -27.0779 -27.0779 -27.0779 -27.0779 -20.6208 -20.6208 -20.6208 -20.6208 -18.7560 -18.7560 -18.7560 -18.7560 -18.7521 -18.7521 -18.7521 -18.7521 -10.7554 -10.7554 -10.7518 -10.7518 -10.5080 -10.5080 -10.5066 -10.5066 -10.4677 -10.4677 -10.4624 -10.4624 -6.7613 -6.7613 -6.7611 -6.7611 -6.5978 -6.5978 -6.5975 -6.5975 -3.5586 -3.5586 -3.5574 -3.5574 -3.1902 -3.1902 -3.1892 -3.1892 -1.8808 -1.8808 -1.8615 -1.8615 -1.8236 -1.8236 -1.7993 -1.7993 -1.7539 -1.7539 -1.7456 -1.7456 -1.0487 -1.0487 -1.0482 -1.0482 -0.8915 -0.8915 -0.8908 -0.8908 5.4425 5.4425 5.4427 5.4427 8.3337 8.3337 8.3340 8.3340 8.8262 8.8262 8.8266 8.8266 k = 0.0513-0.0000 0.2313 ( 7530 PWs) bands (ev): -27.0777 -27.0777 -27.0777 -27.0777 -20.6200 -20.6200 -20.6200 -20.6200 -18.7566 -18.7566 -18.7565 -18.7565 -18.7524 -18.7524 -18.7524 -18.7524 -10.7564 -10.7564 -10.7516 -10.7516 -10.5084 -10.5084 -10.5066 -10.5066 -10.4694 -10.4694 -10.4624 -10.4624 -6.7634 -6.7634 -6.7631 -6.7631 -6.5974 -6.5974 -6.5970 -6.5970 -3.5583 -3.5583 -3.5568 -3.5568 -3.1928 -3.1928 -3.1915 -3.1915 -1.8859 -1.8859 -1.8642 -1.8642 -1.8200 -1.8200 -1.7917 -1.7917 -1.7534 -1.7534 -1.7424 -1.7424 -1.0535 -1.0535 -1.0529 -1.0529 -0.8895 -0.8895 -0.8887 -0.8887 5.4575 5.4575 5.4578 5.4578 8.3409 8.3409 8.3412 8.3412 8.8262 8.8262 8.8268 8.8268 k = 0.0641-0.0000 0.2313 ( 7518 PWs) bands (ev): -27.0775 -27.0775 -27.0775 -27.0775 -20.6191 -20.6191 -20.6190 -20.6190 -18.7574 -18.7574 -18.7574 -18.7574 -18.7526 -18.7526 -18.7526 -18.7526 -10.7574 -10.7574 -10.7514 -10.7514 -10.5088 -10.5088 -10.5066 -10.5066 -10.4713 -10.4713 -10.4628 -10.4628 -6.7659 -6.7659 -6.7656 -6.7656 -6.5969 -6.5969 -6.5964 -6.5964 -3.5580 -3.5580 -3.5561 -3.5561 -3.1960 -3.1960 -3.1944 -3.1944 -1.8908 -1.8908 -1.8679 -1.8679 -1.8152 -1.8152 -1.7843 -1.7843 -1.7521 -1.7521 -1.7386 -1.7386 -1.0595 -1.0595 -1.0588 -1.0588 -0.8872 -0.8872 -0.8863 -0.8863 5.4767 5.4767 5.4771 5.4771 8.3499 8.3499 8.3503 8.3503 8.8262 8.8262 8.8269 8.8269 k = 0.0769-0.0000 0.2313 ( 7514 PWs) bands (ev): -27.0773 -27.0773 -27.0773 -27.0773 -20.6179 -20.6179 -20.6179 -20.6179 -18.7586 -18.7586 -18.7585 -18.7585 -18.7527 -18.7527 -18.7527 -18.7527 -10.7585 -10.7585 -10.7514 -10.7514 -10.5092 -10.5092 -10.5067 -10.5067 -10.4735 -10.4735 -10.4634 -10.4634 -6.7691 -6.7691 -6.7686 -6.7686 -6.5963 -6.5963 -6.5957 -6.5957 -3.5576 -3.5576 -3.5553 -3.5553 -3.1998 -3.1998 -3.1979 -3.1979 -1.8952 -1.8952 -1.8718 -1.8718 -1.8098 -1.8098 -1.7773 -1.7773 -1.7497 -1.7497 -1.7343 -1.7343 -1.0664 -1.0664 -1.0656 -1.0656 -0.8846 -0.8846 -0.8836 -0.8836 5.5001 5.5001 5.5005 5.5005 8.3607 8.3607 8.3612 8.3612 8.8260 8.8260 8.8269 8.8269 k = 0.0897-0.0000 0.2313 ( 7514 PWs) bands (ev): -27.0771 -27.0771 -27.0771 -27.0771 -20.6165 -20.6165 -20.6165 -20.6165 -18.7601 -18.7601 -18.7600 -18.7600 -18.7528 -18.7528 -18.7527 -18.7527 -10.7597 -10.7597 -10.7515 -10.7515 -10.5097 -10.5097 -10.5069 -10.5069 -10.4758 -10.4758 -10.4642 -10.4642 -6.7727 -6.7727 -6.7722 -6.7722 -6.5955 -6.5955 -6.5948 -6.5948 -3.5572 -3.5572 -3.5546 -3.5546 -3.2041 -3.2041 -3.2020 -3.2020 -1.8992 -1.8992 -1.8755 -1.8755 -1.8043 -1.8043 -1.7714 -1.7714 -1.7460 -1.7460 -1.7293 -1.7293 -1.0741 -1.0741 -1.0733 -1.0733 -0.8819 -0.8819 -0.8807 -0.8807 5.5275 5.5275 5.5280 5.5280 8.3731 8.3731 8.3737 8.3737 8.8255 8.8255 8.8266 8.8266 k = 0.1026-0.0000 0.2313 ( 7506 PWs) bands (ev): -27.0767 -27.0767 -27.0767 -27.0767 -20.6149 -20.6149 -20.6149 -20.6149 -18.7619 -18.7619 -18.7618 -18.7618 -18.7527 -18.7527 -18.7527 -18.7527 -10.7610 -10.7610 -10.7517 -10.7517 -10.5101 -10.5101 -10.5072 -10.5072 -10.4782 -10.4782 -10.4654 -10.4654 -6.7768 -6.7768 -6.7763 -6.7763 -6.5946 -6.5946 -6.5939 -6.5939 -3.5569 -3.5569 -3.5539 -3.5539 -3.2089 -3.2089 -3.2065 -3.2065 -1.9027 -1.9027 -1.8789 -1.8789 -1.7988 -1.7988 -1.7668 -1.7668 -1.7405 -1.7405 -1.7239 -1.7239 -1.0825 -1.0825 -1.0816 -1.0816 -0.8790 -0.8790 -0.8777 -0.8777 5.5590 5.5590 5.5595 5.5595 8.3869 8.3869 8.3876 8.3876 8.8248 8.8248 8.8260 8.8260 k = 0.1154-0.0000 0.2313 ( 7496 PWs) bands (ev): -27.0764 -27.0764 -27.0764 -27.0764 -20.6132 -20.6132 -20.6131 -20.6131 -18.7639 -18.7639 -18.7639 -18.7639 -18.7526 -18.7526 -18.7525 -18.7525 -10.7624 -10.7624 -10.7520 -10.7520 -10.5106 -10.5106 -10.5076 -10.5076 -10.4807 -10.4807 -10.4667 -10.4667 -6.7814 -6.7814 -6.7808 -6.7808 -6.5936 -6.5936 -6.5928 -6.5928 -3.5566 -3.5566 -3.5533 -3.5533 -3.2140 -3.2140 -3.2114 -3.2114 -1.9057 -1.9057 -1.8819 -1.8819 -1.7936 -1.7936 -1.7634 -1.7634 -1.7338 -1.7338 -1.7179 -1.7179 -1.0915 -1.0915 -1.0906 -1.0906 -0.8761 -0.8761 -0.8747 -0.8747 5.5943 5.5943 5.5949 5.5949 8.4019 8.4019 8.4027 8.4027 8.8236 8.8236 8.8250 8.8250 k = 0.1282-0.0000 0.2313 ( 7496 PWs) bands (ev): -27.0760 -27.0760 -27.0760 -27.0760 -20.6112 -20.6112 -20.6112 -20.6112 -18.7662 -18.7662 -18.7662 -18.7662 -18.7524 -18.7524 -18.7523 -18.7523 -10.7638 -10.7638 -10.7525 -10.7525 -10.5110 -10.5110 -10.5080 -10.5080 -10.4834 -10.4834 -10.4684 -10.4684 -6.7864 -6.7864 -6.7858 -6.7858 -6.5924 -6.5924 -6.5916 -6.5916 -3.5566 -3.5566 -3.5529 -3.5529 -3.2194 -3.2194 -3.2166 -3.2166 -1.9080 -1.9080 -1.8843 -1.8843 -1.7887 -1.7887 -1.7607 -1.7607 -1.7262 -1.7262 -1.7116 -1.7116 -1.1009 -1.1009 -1.1000 -1.1000 -0.8731 -0.8731 -0.8718 -0.8718 5.6334 5.6334 5.6341 5.6341 8.4178 8.4178 8.4187 8.4187 8.8217 8.8217 8.8233 8.8233 k = 0.1410-0.0000 0.2313 ( 7486 PWs) bands (ev): -27.0756 -27.0756 -27.0756 -27.0756 -20.6091 -20.6091 -20.6091 -20.6091 -18.7687 -18.7687 -18.7686 -18.7686 -18.7522 -18.7522 -18.7521 -18.7521 -10.7652 -10.7652 -10.7530 -10.7530 -10.5115 -10.5115 -10.5086 -10.5086 -10.4860 -10.4860 -10.4702 -10.4702 -6.7918 -6.7918 -6.7912 -6.7912 -6.5911 -6.5911 -6.5903 -6.5903 -3.5567 -3.5567 -3.5528 -3.5528 -3.2251 -3.2251 -3.2221 -3.2221 -1.9097 -1.9097 -1.8862 -1.8862 -1.7841 -1.7841 -1.7584 -1.7584 -1.7181 -1.7181 -1.7049 -1.7049 -1.1106 -1.1106 -1.1097 -1.1097 -0.8703 -0.8703 -0.8689 -0.8689 5.6763 5.6763 5.6769 5.6769 8.4344 8.4344 8.4354 8.4354 8.8191 8.8191 8.8209 8.8209 k = 0.1538-0.0000 0.2313 ( 7480 PWs) bands (ev): -27.0752 -27.0752 -27.0752 -27.0752 -20.6069 -20.6069 -20.6068 -20.6068 -18.7714 -18.7714 -18.7713 -18.7713 -18.7519 -18.7519 -18.7519 -18.7519 -10.7667 -10.7667 -10.7537 -10.7537 -10.5120 -10.5120 -10.5093 -10.5093 -10.4886 -10.4886 -10.4723 -10.4723 -6.7976 -6.7976 -6.7969 -6.7969 -6.5897 -6.5897 -6.5889 -6.5889 -3.5571 -3.5571 -3.5529 -3.5529 -3.2308 -3.2308 -3.2277 -3.2277 -1.9109 -1.9109 -1.8874 -1.8874 -1.7798 -1.7798 -1.7563 -1.7563 -1.7100 -1.7100 -1.6980 -1.6980 -1.1206 -1.1206 -1.1196 -1.1196 -0.8675 -0.8675 -0.8662 -0.8662 5.7226 5.7226 5.7233 5.7233 8.4513 8.4513 8.4524 8.4524 8.8156 8.8156 8.8175 8.8175 k = 0.1667-0.0000 0.2313 ( 7480 PWs) bands (ev): -27.0748 -27.0748 -27.0748 -27.0748 -20.6045 -20.6045 -20.6045 -20.6045 -18.7742 -18.7742 -18.7742 -18.7742 -18.7517 -18.7517 -18.7516 -18.7516 -10.7683 -10.7683 -10.7545 -10.7545 -10.5125 -10.5125 -10.5102 -10.5102 -10.4912 -10.4912 -10.4746 -10.4746 -6.8037 -6.8037 -6.8029 -6.8029 -6.5882 -6.5882 -6.5874 -6.5874 -3.5578 -3.5578 -3.5533 -3.5533 -3.2366 -3.2366 -3.2333 -3.2333 -1.9113 -1.9113 -1.8881 -1.8881 -1.7758 -1.7758 -1.7542 -1.7542 -1.7019 -1.7019 -1.6910 -1.6910 -1.1307 -1.1307 -1.1297 -1.1297 -0.8649 -0.8649 -0.8635 -0.8635 5.7724 5.7724 5.7732 5.7732 8.4681 8.4681 8.4693 8.4693 8.8109 8.8109 8.8130 8.8130 k = 0.1795-0.0000 0.2313 ( 7496 PWs) bands (ev): -27.0743 -27.0743 -27.0743 -27.0743 -20.6020 -20.6020 -20.6020 -20.6020 -18.7773 -18.7773 -18.7772 -18.7772 -18.7514 -18.7514 -18.7513 -18.7513 -10.7699 -10.7699 -10.7555 -10.7555 -10.5131 -10.5131 -10.5111 -10.5111 -10.4936 -10.4936 -10.4771 -10.4771 -6.8100 -6.8100 -6.8093 -6.8093 -6.5866 -6.5866 -6.5858 -6.5858 -3.5589 -3.5589 -3.5542 -3.5542 -3.2424 -3.2424 -3.2389 -3.2389 -1.9112 -1.9112 -1.8881 -1.8881 -1.7720 -1.7720 -1.7522 -1.7522 -1.6941 -1.6941 -1.6840 -1.6840 -1.1408 -1.1408 -1.1398 -1.1398 -0.8623 -0.8623 -0.8610 -0.8610 5.8255 5.8255 5.8263 5.8263 8.4846 8.4846 8.4859 8.4859 8.8051 8.8051 8.8073 8.8073 k = 0.1923-0.0000 0.2313 ( 7500 PWs) bands (ev): -27.0738 -27.0738 -27.0738 -27.0738 -20.5994 -20.5994 -20.5994 -20.5994 -18.7804 -18.7804 -18.7804 -18.7804 -18.7511 -18.7511 -18.7510 -18.7510 -10.7715 -10.7715 -10.7565 -10.7565 -10.5140 -10.5140 -10.5121 -10.5121 -10.4959 -10.4959 -10.4797 -10.4797 -6.8166 -6.8166 -6.8159 -6.8159 -6.5849 -6.5849 -6.5841 -6.5841 -3.5603 -3.5603 -3.5554 -3.5554 -3.2480 -3.2480 -3.2445 -3.2445 -1.9104 -1.9104 -1.8876 -1.8876 -1.7686 -1.7686 -1.7503 -1.7503 -1.6865 -1.6865 -1.6772 -1.6772 -1.1509 -1.1509 -1.1499 -1.1499 -0.8599 -0.8599 -0.8586 -0.8586 5.8817 5.8817 5.8826 5.8826 8.5001 8.5001 8.5015 8.5015 8.7980 8.7980 8.8003 8.8003 k = 0.2051-0.0000 0.2313 ( 7502 PWs) bands (ev): -27.0733 -27.0733 -27.0733 -27.0733 -20.5967 -20.5967 -20.5967 -20.5967 -18.7836 -18.7836 -18.7836 -18.7836 -18.7508 -18.7508 -18.7507 -18.7507 -10.7732 -10.7732 -10.7576 -10.7576 -10.5153 -10.5153 -10.5128 -10.5128 -10.4979 -10.4979 -10.4825 -10.4825 -6.8234 -6.8234 -6.8226 -6.8226 -6.5831 -6.5831 -6.5824 -6.5824 -3.5622 -3.5622 -3.5572 -3.5572 -3.2534 -3.2534 -3.2498 -3.2498 -1.9090 -1.9090 -1.8864 -1.8864 -1.7654 -1.7654 -1.7483 -1.7483 -1.6794 -1.6794 -1.6706 -1.6706 -1.1608 -1.1608 -1.1598 -1.1598 -0.8577 -0.8577 -0.8564 -0.8564 5.9409 5.9409 5.9418 5.9418 8.5143 8.5143 8.5156 8.5156 8.7897 8.7897 8.7921 8.7921 k = 0.2179-0.0000 0.2313 ( 7510 PWs) bands (ev): -27.0728 -27.0728 -27.0728 -27.0728 -20.5940 -20.5940 -20.5939 -20.5939 -18.7870 -18.7870 -18.7870 -18.7870 -18.7504 -18.7504 -18.7504 -18.7504 -10.7748 -10.7748 -10.7589 -10.7589 -10.5171 -10.5171 -10.5133 -10.5133 -10.4996 -10.4996 -10.4854 -10.4854 -6.8303 -6.8303 -6.8295 -6.8295 -6.5813 -6.5813 -6.5805 -6.5805 -3.5646 -3.5646 -3.5594 -3.5594 -3.2586 -3.2586 -3.2549 -3.2549 -1.9070 -1.9070 -1.8846 -1.8846 -1.7624 -1.7624 -1.7462 -1.7462 -1.6728 -1.6728 -1.6644 -1.6644 -1.1705 -1.1705 -1.1696 -1.1696 -0.8555 -0.8555 -0.8543 -0.8543 6.0030 6.0030 6.0039 6.0039 8.5264 8.5264 8.5278 8.5278 8.7806 8.7806 8.7830 8.7830 k = 0.2308-0.0000 0.2313 ( 7506 PWs) bands (ev): -27.0723 -27.0723 -27.0723 -27.0723 -20.5911 -20.5911 -20.5911 -20.5911 -18.7904 -18.7904 -18.7904 -18.7904 -18.7501 -18.7501 -18.7500 -18.7500 -10.7765 -10.7765 -10.7602 -10.7602 -10.5192 -10.5192 -10.5137 -10.5137 -10.5011 -10.5011 -10.4884 -10.4884 -6.8373 -6.8373 -6.8365 -6.8365 -6.5794 -6.5794 -6.5786 -6.5786 -3.5674 -3.5674 -3.5621 -3.5621 -3.2635 -3.2635 -3.2597 -3.2597 -1.9043 -1.9043 -1.8822 -1.8822 -1.7597 -1.7597 -1.7442 -1.7442 -1.6667 -1.6667 -1.6586 -1.6586 -1.1799 -1.1799 -1.1790 -1.1790 -0.8535 -0.8535 -0.8523 -0.8523 6.0677 6.0677 6.0686 6.0686 8.5358 8.5358 8.5372 8.5372 8.7709 8.7709 8.7733 8.7733 k = 0.2436-0.0000 0.2313 ( 7502 PWs) bands (ev): -27.0717 -27.0717 -27.0717 -27.0717 -20.5883 -20.5883 -20.5882 -20.5882 -18.7939 -18.7939 -18.7938 -18.7938 -18.7498 -18.7498 -18.7497 -18.7497 -10.7781 -10.7781 -10.7617 -10.7617 -10.5215 -10.5215 -10.5140 -10.5140 -10.5024 -10.5024 -10.4914 -10.4914 -6.8443 -6.8443 -6.8435 -6.8435 -6.5774 -6.5774 -6.5767 -6.5767 -3.5707 -3.5707 -3.5653 -3.5653 -3.2681 -3.2681 -3.2642 -3.2642 -1.9011 -1.9011 -1.8792 -1.8792 -1.7572 -1.7572 -1.7422 -1.7422 -1.6613 -1.6613 -1.6533 -1.6533 -1.1890 -1.1890 -1.1880 -1.1880 -0.8517 -0.8517 -0.8505 -0.8505 6.1349 6.1349 6.1359 6.1359 8.5418 8.5418 8.5431 8.5431 8.7614 8.7614 8.7638 8.7638 k = 0.2564-0.0000 0.2313 ( 7510 PWs) bands (ev): -27.0712 -27.0712 -27.0712 -27.0712 -20.5854 -20.5854 -20.5853 -20.5853 -18.7974 -18.7974 -18.7973 -18.7973 -18.7494 -18.7494 -18.7493 -18.7493 -10.7797 -10.7797 -10.7632 -10.7632 -10.5239 -10.5239 -10.5144 -10.5144 -10.5035 -10.5035 -10.4944 -10.4944 -6.8513 -6.8513 -6.8505 -6.8505 -6.5754 -6.5754 -6.5748 -6.5748 -3.5743 -3.5743 -3.5690 -3.5690 -3.2722 -3.2722 -3.2684 -3.2684 -1.8973 -1.8973 -1.8756 -1.8756 -1.7549 -1.7549 -1.7402 -1.7402 -1.6565 -1.6565 -1.6487 -1.6487 -1.1976 -1.1976 -1.1967 -1.1967 -0.8500 -0.8500 -0.8489 -0.8489 6.2045 6.2045 6.2055 6.2055 8.5434 8.5434 8.5447 8.5447 8.7528 8.7528 8.7553 8.7553 k = 0.2692-0.0000 0.2313 ( 7516 PWs) bands (ev): -27.0707 -27.0707 -27.0707 -27.0707 -20.5825 -20.5825 -20.5825 -20.5825 -18.8008 -18.8008 -18.8008 -18.8008 -18.7491 -18.7491 -18.7490 -18.7490 -10.7813 -10.7813 -10.7648 -10.7648 -10.5264 -10.5264 -10.5147 -10.5147 -10.5045 -10.5045 -10.4974 -10.4974 -6.8583 -6.8583 -6.8575 -6.8575 -6.5735 -6.5735 -6.5728 -6.5728 -3.5784 -3.5784 -3.5730 -3.5730 -3.2760 -3.2760 -3.2722 -3.2722 -1.8930 -1.8930 -1.8715 -1.8715 -1.7528 -1.7528 -1.7383 -1.7383 -1.6524 -1.6524 -1.6447 -1.6447 -1.2058 -1.2058 -1.2048 -1.2048 -0.8484 -0.8484 -0.8473 -0.8473 6.2762 6.2762 6.2773 6.2773 8.5402 8.5402 8.5415 8.5415 8.7458 8.7458 8.7484 8.7484 k = 0.2821-0.0000 0.2313 ( 7488 PWs) bands (ev): -27.0701 -27.0701 -27.0701 -27.0701 -20.5796 -20.5796 -20.5796 -20.5796 -18.8043 -18.8043 -18.8042 -18.8042 -18.7487 -18.7487 -18.7486 -18.7486 -10.7828 -10.7828 -10.7664 -10.7664 -10.5289 -10.5289 -10.5151 -10.5151 -10.5055 -10.5055 -10.5002 -10.5002 -6.8651 -6.8651 -6.8644 -6.8644 -6.5715 -6.5715 -6.5709 -6.5709 -3.5827 -3.5827 -3.5775 -3.5775 -3.2795 -3.2795 -3.2756 -3.2756 -1.8881 -1.8881 -1.8668 -1.8668 -1.7510 -1.7510 -1.7363 -1.7363 -1.6491 -1.6491 -1.6415 -1.6415 -1.2134 -1.2134 -1.2124 -1.2124 -0.8469 -0.8469 -0.8459 -0.8459 6.3500 6.3500 6.3510 6.3510 8.5317 8.5317 8.5331 8.5331 8.7409 8.7409 8.7436 8.7436 k = 0.2949-0.0000 0.2313 ( 7492 PWs) bands (ev): -27.0696 -27.0696 -27.0696 -27.0696 -20.5768 -20.5768 -20.5768 -20.5768 -18.8077 -18.8077 -18.8077 -18.8077 -18.7484 -18.7484 -18.7483 -18.7483 -10.7843 -10.7843 -10.7682 -10.7682 -10.5314 -10.5314 -10.5156 -10.5156 -10.5066 -10.5066 -10.5027 -10.5027 -6.8718 -6.8718 -6.8711 -6.8711 -6.5695 -6.5695 -6.5689 -6.5689 -3.5874 -3.5874 -3.5822 -3.5822 -3.2825 -3.2825 -3.2787 -3.2787 -1.8828 -1.8828 -1.8617 -1.8617 -1.7494 -1.7494 -1.7345 -1.7345 -1.6465 -1.6465 -1.6390 -1.6390 -1.2204 -1.2204 -1.2195 -1.2195 -0.8455 -0.8455 -0.8446 -0.8446 6.4255 6.4255 6.4266 6.4266 8.5183 8.5183 8.5199 8.5199 8.7380 8.7380 8.7407 8.7407 k = 0.3077-0.0000 0.2313 ( 7494 PWs) bands (ev): -27.0691 -27.0691 -27.0691 -27.0691 -20.5740 -20.5740 -20.5740 -20.5740 -18.8110 -18.8110 -18.8110 -18.8110 -18.7481 -18.7481 -18.7480 -18.7480 -10.7857 -10.7857 -10.7699 -10.7699 -10.5337 -10.5337 -10.5163 -10.5163 -10.5081 -10.5081 -10.5045 -10.5045 -6.8784 -6.8784 -6.8777 -6.8777 -6.5675 -6.5675 -6.5670 -6.5670 -3.5922 -3.5922 -3.5872 -3.5872 -3.2852 -3.2852 -3.2815 -3.2815 -1.8770 -1.8770 -1.8561 -1.8561 -1.7480 -1.7480 -1.7327 -1.7327 -1.6448 -1.6448 -1.6374 -1.6374 -1.2268 -1.2268 -1.2260 -1.2260 -0.8443 -0.8443 -0.8434 -0.8434 6.5025 6.5025 6.5037 6.5037 8.5006 8.5006 8.5023 8.5023 8.7366 8.7366 8.7394 8.7394 k = 0.3205-0.0000 0.2313 ( 7490 PWs) bands (ev): -27.0686 -27.0686 -27.0686 -27.0686 -20.5713 -20.5713 -20.5713 -20.5713 -18.8143 -18.8143 -18.8143 -18.8143 -18.7477 -18.7477 -18.7477 -18.7477 -10.7870 -10.7870 -10.7717 -10.7717 -10.5360 -10.5360 -10.5175 -10.5175 -10.5096 -10.5096 -10.5056 -10.5056 -6.8847 -6.8847 -6.8840 -6.8840 -6.5656 -6.5656 -6.5651 -6.5651 -3.5972 -3.5972 -3.5924 -3.5924 -3.2876 -3.2876 -3.2840 -3.2840 -1.8709 -1.8709 -1.8500 -1.8500 -1.7468 -1.7468 -1.7310 -1.7310 -1.6439 -1.6439 -1.6365 -1.6365 -1.2327 -1.2327 -1.2318 -1.2318 -0.8431 -0.8431 -0.8423 -0.8423 6.5810 6.5810 6.5822 6.5822 8.4793 8.4793 8.4812 8.4812 8.7359 8.7359 8.7388 8.7388 k = 0.3333-0.0000 0.2313 ( 7500 PWs) bands (ev): -27.0682 -27.0682 -27.0682 -27.0682 -20.5687 -20.5687 -20.5687 -20.5687 -18.8175 -18.8175 -18.8174 -18.8174 -18.7474 -18.7474 -18.7474 -18.7474 -10.7882 -10.7882 -10.7736 -10.7736 -10.5381 -10.5381 -10.5192 -10.5192 -10.5108 -10.5108 -10.5064 -10.5064 -6.8907 -6.8907 -6.8901 -6.8901 -6.5638 -6.5638 -6.5633 -6.5633 -3.6022 -3.6022 -3.5976 -3.5976 -3.2897 -3.2897 -3.2862 -3.2862 -1.8643 -1.8643 -1.8436 -1.8436 -1.7459 -1.7459 -1.7294 -1.7294 -1.6438 -1.6438 -1.6364 -1.6364 -1.2379 -1.2379 -1.2371 -1.2371 -0.8420 -0.8420 -0.8413 -0.8413 6.6606 6.6606 6.6619 6.6619 8.4552 8.4552 8.4571 8.4571 8.7354 8.7354 8.7384 8.7384 k = 0.3462-0.0000 0.2313 ( 7508 PWs) bands (ev): -27.0677 -27.0677 -27.0677 -27.0677 -20.5662 -20.5662 -20.5662 -20.5662 -18.8205 -18.8205 -18.8204 -18.8204 -18.7471 -18.7471 -18.7471 -18.7471 -10.7894 -10.7894 -10.7754 -10.7754 -10.5400 -10.5400 -10.5214 -10.5214 -10.5116 -10.5116 -10.5070 -10.5070 -6.8964 -6.8964 -6.8959 -6.8959 -6.5621 -6.5621 -6.5616 -6.5616 -3.6072 -3.6072 -3.6029 -3.6029 -3.2914 -3.2914 -3.2881 -3.2881 -1.8575 -1.8575 -1.8368 -1.8368 -1.7453 -1.7453 -1.7280 -1.7280 -1.6444 -1.6444 -1.6370 -1.6370 -1.2425 -1.2425 -1.2417 -1.2417 -0.8411 -0.8411 -0.8404 -0.8404 6.7411 6.7411 6.7424 6.7424 8.4287 8.4287 8.4307 8.4307 8.7343 8.7343 8.7373 8.7373 k = 0.3590-0.0000 0.2313 ( 7518 PWs) bands (ev): -27.0673 -27.0673 -27.0673 -27.0673 -20.5639 -20.5639 -20.5638 -20.5638 -18.8233 -18.8233 -18.8233 -18.8233 -18.7469 -18.7469 -18.7468 -18.7468 -10.7904 -10.7904 -10.7772 -10.7772 -10.5417 -10.5417 -10.5239 -10.5239 -10.5120 -10.5120 -10.5075 -10.5075 -6.9019 -6.9019 -6.9013 -6.9013 -6.5604 -6.5604 -6.5600 -6.5600 -3.6121 -3.6121 -3.6081 -3.6081 -3.2930 -3.2930 -3.2898 -3.2898 -1.8503 -1.8503 -1.8297 -1.8297 -1.7450 -1.7450 -1.7267 -1.7267 -1.6457 -1.6457 -1.6384 -1.6384 -1.2465 -1.2465 -1.2458 -1.2458 -0.8402 -0.8402 -0.8396 -0.8396 6.8222 6.8222 6.8236 6.8236 8.4001 8.4001 8.4021 8.4021 8.7319 8.7319 8.7349 8.7349 k = 0.3718-0.0000 0.2313 ( 7518 PWs) bands (ev): -27.0669 -27.0669 -27.0669 -27.0669 -20.5616 -20.5616 -20.5616 -20.5616 -18.8260 -18.8260 -18.8260 -18.8260 -18.7466 -18.7466 -18.7465 -18.7465 -10.7913 -10.7913 -10.7790 -10.7790 -10.5433 -10.5433 -10.5265 -10.5265 -10.5122 -10.5122 -10.5079 -10.5079 -6.9069 -6.9069 -6.9064 -6.9064 -6.5588 -6.5588 -6.5584 -6.5584 -3.6168 -3.6168 -3.6131 -3.6131 -3.2943 -3.2943 -3.2913 -3.2913 -1.8430 -1.8430 -1.8223 -1.8223 -1.7450 -1.7450 -1.7257 -1.7257 -1.6477 -1.6477 -1.6403 -1.6403 -1.2499 -1.2499 -1.2493 -1.2493 -0.8394 -0.8394 -0.8388 -0.8388 6.9036 6.9036 6.9051 6.9051 8.3694 8.3694 8.3714 8.3714 8.7276 8.7276 8.7305 8.7305 k = 0.3846-0.0000 0.2313 ( 7522 PWs) bands (ev): -27.0665 -27.0665 -27.0665 -27.0665 -20.5596 -20.5596 -20.5595 -20.5595 -18.8285 -18.8285 -18.8285 -18.8285 -18.7464 -18.7464 -18.7463 -18.7463 -10.7920 -10.7920 -10.7807 -10.7807 -10.5446 -10.5446 -10.5291 -10.5291 -10.5122 -10.5122 -10.5083 -10.5083 -6.9116 -6.9116 -6.9111 -6.9111 -6.5573 -6.5573 -6.5570 -6.5570 -3.6212 -3.6212 -3.6179 -3.6179 -3.2953 -3.2953 -3.2926 -3.2926 -1.8355 -1.8355 -1.8147 -1.8147 -1.7453 -1.7453 -1.7249 -1.7249 -1.6501 -1.6501 -1.6427 -1.6427 -1.2528 -1.2528 -1.2523 -1.2523 -0.8387 -0.8387 -0.8382 -0.8382 6.9850 6.9850 6.9865 6.9865 8.3366 8.3366 8.3387 8.3387 8.7206 8.7206 8.7234 8.7234 k = 0.3974-0.0000 0.2313 ( 7524 PWs) bands (ev): -27.0662 -27.0662 -27.0662 -27.0662 -20.5577 -20.5577 -20.5576 -20.5576 -18.8308 -18.8308 -18.8308 -18.8308 -18.7461 -18.7461 -18.7461 -18.7461 -10.7927 -10.7927 -10.7824 -10.7824 -10.5457 -10.5457 -10.5316 -10.5316 -10.5122 -10.5122 -10.5087 -10.5087 -6.9158 -6.9158 -6.9154 -6.9154 -6.5560 -6.5560 -6.5557 -6.5557 -3.6254 -3.6254 -3.6223 -3.6223 -3.2962 -3.2962 -3.2938 -3.2938 -1.8279 -1.8279 -1.8069 -1.8069 -1.7460 -1.7460 -1.7245 -1.7245 -1.6530 -1.6530 -1.6455 -1.6455 -1.2553 -1.2553 -1.2548 -1.2548 -0.8381 -0.8381 -0.8376 -0.8376 7.0659 7.0659 7.0674 7.0674 8.3015 8.3015 8.3036 8.3036 8.7106 8.7106 8.7132 8.7132 k = 0.4103-0.0000 0.2313 ( 7520 PWs) bands (ev): -27.0659 -27.0659 -27.0659 -27.0659 -20.5560 -20.5560 -20.5559 -20.5559 -18.8328 -18.8328 -18.8328 -18.8328 -18.7459 -18.7459 -18.7459 -18.7459 -10.7932 -10.7932 -10.7840 -10.7840 -10.5465 -10.5465 -10.5340 -10.5340 -10.5122 -10.5122 -10.5090 -10.5090 -6.9196 -6.9196 -6.9192 -6.9192 -6.5548 -6.5548 -6.5545 -6.5545 -3.6292 -3.6292 -3.6265 -3.6265 -3.2970 -3.2970 -3.2948 -3.2948 -1.8203 -1.8203 -1.7990 -1.7990 -1.7471 -1.7471 -1.7245 -1.7245 -1.6560 -1.6560 -1.6487 -1.6487 -1.2573 -1.2573 -1.2569 -1.2569 -0.8376 -0.8376 -0.8371 -0.8371 7.1456 7.1456 7.1472 7.1472 8.2639 8.2639 8.2660 8.2660 8.6974 8.6974 8.6997 8.6997 k = 0.4231-0.0000 0.2313 ( 7528 PWs) bands (ev): -27.0656 -27.0656 -27.0656 -27.0656 -20.5545 -20.5545 -20.5544 -20.5544 -18.8346 -18.8346 -18.8346 -18.8346 -18.7458 -18.7458 -18.7457 -18.7457 -10.7935 -10.7935 -10.7855 -10.7855 -10.5472 -10.5472 -10.5363 -10.5363 -10.5121 -10.5121 -10.5093 -10.5093 -6.9229 -6.9229 -6.9226 -6.9226 -6.5537 -6.5537 -6.5535 -6.5535 -3.6325 -3.6325 -3.6302 -3.6302 -3.2975 -3.2975 -3.2956 -3.2956 -1.8127 -1.8127 -1.7912 -1.7912 -1.7487 -1.7487 -1.7251 -1.7251 -1.6591 -1.6591 -1.6519 -1.6519 -1.2590 -1.2590 -1.2586 -1.2586 -0.8371 -0.8371 -0.8367 -0.8367 7.2236 7.2236 7.2251 7.2251 8.2238 8.2238 8.2259 8.2259 8.6817 8.6817 8.6837 8.6837 k = 0.4359-0.0000 0.2313 ( 7522 PWs) bands (ev): -27.0654 -27.0654 -27.0654 -27.0654 -20.5532 -20.5532 -20.5531 -20.5531 -18.8362 -18.8362 -18.8362 -18.8362 -18.7456 -18.7456 -18.7456 -18.7456 -10.7937 -10.7937 -10.7869 -10.7869 -10.5475 -10.5475 -10.5384 -10.5384 -10.5119 -10.5119 -10.5096 -10.5096 -6.9257 -6.9257 -6.9255 -6.9255 -6.5528 -6.5528 -6.5526 -6.5526 -3.6354 -3.6354 -3.6334 -3.6334 -3.2980 -3.2980 -3.2964 -3.2964 -1.8052 -1.8052 -1.7834 -1.7834 -1.7507 -1.7507 -1.7263 -1.7263 -1.6620 -1.6620 -1.6552 -1.6552 -1.2603 -1.2603 -1.2599 -1.2599 -0.8367 -0.8367 -0.8364 -0.8364 7.2985 7.2985 7.3001 7.3001 8.1817 8.1817 8.1837 8.1837 8.6650 8.6650 8.6665 8.6665 k = 0.4487-0.0000 0.2313 ( 7514 PWs) bands (ev): -27.0652 -27.0652 -27.0652 -27.0652 -20.5521 -20.5521 -20.5521 -20.5521 -18.8375 -18.8375 -18.8374 -18.8374 -18.7455 -18.7455 -18.7455 -18.7455 -10.7937 -10.7937 -10.7883 -10.7883 -10.5477 -10.5477 -10.5403 -10.5403 -10.5117 -10.5117 -10.5099 -10.5099 -6.9281 -6.9281 -6.9278 -6.9278 -6.5520 -6.5520 -6.5518 -6.5518 -3.6378 -3.6378 -3.6362 -3.6362 -3.2983 -3.2983 -3.2970 -3.2970 -1.7979 -1.7979 -1.7759 -1.7759 -1.7531 -1.7531 -1.7284 -1.7284 -1.6644 -1.6644 -1.6584 -1.6584 -1.2612 -1.2612 -1.2610 -1.2610 -0.8363 -0.8363 -0.8361 -0.8361 7.3690 7.3690 7.3705 7.3705 8.1386 8.1386 8.1404 8.1404 8.6488 8.6488 8.6500 8.6500 k = 0.4615-0.0000 0.2313 ( 7502 PWs) bands (ev): -27.0650 -27.0650 -27.0650 -27.0650 -20.5512 -20.5512 -20.5512 -20.5512 -18.8385 -18.8385 -18.8384 -18.8384 -18.7454 -18.7454 -18.7454 -18.7454 -10.7935 -10.7935 -10.7894 -10.7894 -10.5476 -10.5476 -10.5420 -10.5420 -10.5116 -10.5116 -10.5102 -10.5102 -6.9299 -6.9299 -6.9297 -6.9297 -6.5514 -6.5514 -6.5513 -6.5513 -3.6396 -3.6396 -3.6384 -3.6384 -3.2985 -3.2985 -3.2975 -3.2975 -1.7909 -1.7909 -1.7692 -1.7692 -1.7555 -1.7555 -1.7313 -1.7313 -1.6662 -1.6662 -1.6612 -1.6612 -1.2620 -1.2620 -1.2618 -1.2618 -0.8361 -0.8361 -0.8359 -0.8359 7.4324 7.4324 7.4337 7.4337 8.0966 8.0966 8.0982 8.0982 8.6349 8.6349 8.6357 8.6357 k = 0.4744-0.0000 0.2313 ( 7498 PWs) bands (ev): -27.0649 -27.0649 -27.0649 -27.0649 -20.5506 -20.5506 -20.5506 -20.5506 -18.8392 -18.8392 -18.8392 -18.8392 -18.7453 -18.7453 -18.7453 -18.7453 -10.7932 -10.7932 -10.7905 -10.7905 -10.5472 -10.5472 -10.5435 -10.5435 -10.5114 -10.5114 -10.5104 -10.5104 -6.9312 -6.9312 -6.9311 -6.9311 -6.5509 -6.5509 -6.5508 -6.5508 -3.6409 -3.6409 -3.6401 -3.6401 -3.2986 -3.2986 -3.2979 -3.2979 -1.7843 -1.7843 -1.7658 -1.7658 -1.7556 -1.7556 -1.7352 -1.7352 -1.6673 -1.6673 -1.6637 -1.6637 -1.2625 -1.2625 -1.2623 -1.2623 -0.8359 -0.8359 -0.8357 -0.8357 7.4850 7.4850 7.4860 7.4860 8.0596 8.0596 8.0609 8.0609 8.6243 8.6243 8.6248 8.6248 k = 0.4872-0.0000 0.2313 ( 7494 PWs) bands (ev): -27.0649 -27.0649 -27.0649 -27.0649 -20.5503 -20.5503 -20.5503 -20.5503 -18.8396 -18.8396 -18.8396 -18.8396 -18.7453 -18.7453 -18.7452 -18.7452 -10.7928 -10.7928 -10.7914 -10.7914 -10.5466 -10.5466 -10.5447 -10.5447 -10.5111 -10.5111 -10.5107 -10.5107 -6.9319 -6.9319 -6.9319 -6.9319 -6.5506 -6.5506 -6.5506 -6.5506 -3.6416 -3.6416 -3.6412 -3.6412 -3.2986 -3.2986 -3.2982 -3.2982 -1.7781 -1.7781 -1.7680 -1.7680 -1.7511 -1.7511 -1.7399 -1.7399 -1.6676 -1.6676 -1.6657 -1.6657 -1.2627 -1.2627 -1.2627 -1.2627 -0.8357 -0.8357 -0.8357 -0.8357 7.5210 7.5210 7.5216 7.5216 8.0332 8.0332 8.0339 8.0339 8.6177 8.6177 8.6179 8.6179 k = 0.5000-0.0000 0.2313 ( 7496 PWs) bands (ev): -27.0648 -27.0648 -27.0648 -27.0648 -20.5501 -20.5501 -20.5501 -20.5501 -18.8398 -18.8398 -18.8398 -18.8398 -18.7452 -18.7452 -18.7452 -18.7452 -10.7922 -10.7922 -10.7922 -10.7922 -10.5458 -10.5458 -10.5458 -10.5458 -10.5109 -10.5109 -10.5109 -10.5109 -6.9322 -6.9322 -6.9322 -6.9322 -6.5505 -6.5505 -6.5505 -6.5505 -3.6417 -3.6417 -3.6417 -3.6417 -3.2984 -3.2984 -3.2984 -3.2984 -1.7726 -1.7726 -1.7726 -1.7726 -1.7453 -1.7453 -1.7453 -1.7453 -1.6670 -1.6670 -1.6670 -1.6670 -1.2628 -1.2628 -1.2628 -1.2628 -0.8357 -0.8357 -0.8357 -0.8357 7.5342 7.5342 7.5342 7.5342 8.0237 8.0237 8.0237 8.0237 8.6155 8.6155 8.6155 8.6155 k = 0.5000-0.0000 0.2313 ( 7496 PWs) bands (ev): -27.0648 -27.0648 -27.0648 -27.0648 -20.5501 -20.5501 -20.5501 -20.5501 -18.8398 -18.8398 -18.8398 -18.8398 -18.7452 -18.7452 -18.7452 -18.7452 -10.7922 -10.7922 -10.7922 -10.7922 -10.5458 -10.5458 -10.5458 -10.5458 -10.5109 -10.5109 -10.5109 -10.5109 -6.9322 -6.9322 -6.9322 -6.9322 -6.5505 -6.5505 -6.5505 -6.5505 -3.6417 -3.6417 -3.6417 -3.6417 -3.2984 -3.2984 -3.2984 -3.2984 -1.7726 -1.7726 -1.7726 -1.7726 -1.7453 -1.7453 -1.7453 -1.7453 -1.6670 -1.6670 -1.6670 -1.6670 -1.2628 -1.2628 -1.2628 -1.2628 -0.8357 -0.8357 -0.8357 -0.8357 7.5342 7.5342 7.5342 7.5342 8.0237 8.0237 8.0237 8.0237 8.6155 8.6155 8.6155 8.6155 k = 0.5000 0.0127 0.2313 ( 7504 PWs) bands (ev): -27.0648 -27.0648 -27.0648 -27.0648 -20.5501 -20.5501 -20.5501 -20.5501 -18.8398 -18.8398 -18.8398 -18.8398 -18.7452 -18.7452 -18.7452 -18.7452 -10.7926 -10.7926 -10.7918 -10.7918 -10.5460 -10.5460 -10.5457 -10.5457 -10.5115 -10.5115 -10.5104 -10.5104 -6.9322 -6.9322 -6.9321 -6.9321 -6.5506 -6.5506 -6.5506 -6.5506 -3.6418 -3.6418 -3.6417 -3.6417 -3.2984 -3.2984 -3.2984 -3.2984 -1.7726 -1.7726 -1.7722 -1.7722 -1.7452 -1.7452 -1.7450 -1.7450 -1.6672 -1.6672 -1.6668 -1.6668 -1.2632 -1.2632 -1.2628 -1.2628 -0.8358 -0.8358 -0.8356 -0.8356 7.5350 7.5350 7.5350 7.5350 8.0249 8.0249 8.0250 8.0250 8.6156 8.6156 8.6157 8.6157 k = 0.5000 0.0254 0.2313 ( 7512 PWs) bands (ev): -27.0648 -27.0648 -27.0648 -27.0648 -20.5501 -20.5501 -20.5501 -20.5501 -18.8398 -18.8398 -18.8398 -18.8398 -18.7453 -18.7453 -18.7453 -18.7453 -10.7930 -10.7930 -10.7915 -10.7915 -10.5462 -10.5462 -10.5457 -10.5457 -10.5120 -10.5120 -10.5099 -10.5099 -6.9321 -6.9321 -6.9320 -6.9320 -6.5508 -6.5508 -6.5508 -6.5508 -3.6422 -3.6422 -3.6419 -3.6419 -3.2984 -3.2984 -3.2984 -3.2984 -1.7722 -1.7722 -1.7714 -1.7714 -1.7445 -1.7445 -1.7441 -1.7441 -1.6674 -1.6674 -1.6667 -1.6667 -1.2639 -1.2639 -1.2632 -1.2632 -0.8359 -0.8359 -0.8355 -0.8355 7.5375 7.5375 7.5376 7.5376 8.0287 8.0287 8.0288 8.0288 8.6160 8.6160 8.6161 8.6161 k = 0.5000 0.0381 0.2313 ( 7508 PWs) bands (ev): -27.0648 -27.0648 -27.0648 -27.0648 -20.5501 -20.5501 -20.5501 -20.5501 -18.8398 -18.8398 -18.8398 -18.8398 -18.7453 -18.7453 -18.7453 -18.7453 -10.7934 -10.7934 -10.7912 -10.7912 -10.5464 -10.5464 -10.5456 -10.5456 -10.5126 -10.5126 -10.5095 -10.5095 -6.9319 -6.9319 -6.9318 -6.9318 -6.5512 -6.5512 -6.5511 -6.5511 -3.6428 -3.6428 -3.6424 -3.6424 -3.2983 -3.2983 -3.2983 -3.2983 -1.7715 -1.7715 -1.7704 -1.7704 -1.7433 -1.7433 -1.7428 -1.7428 -1.6676 -1.6676 -1.6666 -1.6666 -1.2651 -1.2651 -1.2639 -1.2639 -0.8361 -0.8361 -0.8354 -0.8354 7.5417 7.5417 7.5418 7.5418 8.0349 8.0349 8.0351 8.0351 8.6166 8.6166 8.6168 8.6168 k = 0.5000 0.0508 0.2313 ( 7504 PWs) bands (ev): -27.0648 -27.0648 -27.0648 -27.0648 -20.5500 -20.5500 -20.5500 -20.5500 -18.8398 -18.8398 -18.8398 -18.8398 -18.7454 -18.7454 -18.7454 -18.7454 -10.7939 -10.7939 -10.7910 -10.7910 -10.5467 -10.5467 -10.5457 -10.5457 -10.5132 -10.5132 -10.5090 -10.5090 -6.9316 -6.9316 -6.9315 -6.9315 -6.5516 -6.5516 -6.5516 -6.5516 -3.6435 -3.6435 -3.6430 -3.6430 -3.2982 -3.2982 -3.2982 -3.2982 -1.7705 -1.7705 -1.7690 -1.7690 -1.7414 -1.7414 -1.7408 -1.7408 -1.6679 -1.6679 -1.6665 -1.6665 -1.2666 -1.2666 -1.2651 -1.2651 -0.8363 -0.8363 -0.8354 -0.8354 7.5475 7.5475 7.5476 7.5476 8.0437 8.0437 8.0439 8.0439 8.6174 8.6174 8.6176 8.6176 k = 0.5000 0.0635 0.2313 ( 7512 PWs) bands (ev): -27.0648 -27.0648 -27.0648 -27.0648 -20.5499 -20.5499 -20.5499 -20.5499 -18.8399 -18.8399 -18.8399 -18.8399 -18.7455 -18.7455 -18.7455 -18.7455 -10.7944 -10.7944 -10.7908 -10.7908 -10.5470 -10.5470 -10.5458 -10.5458 -10.5137 -10.5137 -10.5087 -10.5087 -6.9313 -6.9313 -6.9312 -6.9312 -6.5522 -6.5522 -6.5521 -6.5521 -3.6445 -3.6445 -3.6438 -3.6438 -3.2981 -3.2981 -3.2981 -3.2981 -1.7694 -1.7694 -1.7675 -1.7675 -1.7389 -1.7389 -1.7382 -1.7382 -1.6681 -1.6681 -1.6665 -1.6665 -1.2684 -1.2684 -1.2665 -1.2665 -0.8366 -0.8366 -0.8354 -0.8354 7.5549 7.5549 7.5551 7.5551 8.0549 8.0549 8.0552 8.0552 8.6183 8.6183 8.6187 8.6187 k = 0.5000 0.0762 0.2313 ( 7528 PWs) bands (ev): -27.0648 -27.0648 -27.0648 -27.0648 -20.5498 -20.5498 -20.5498 -20.5498 -18.8399 -18.8399 -18.8399 -18.8399 -18.7456 -18.7456 -18.7456 -18.7456 -10.7949 -10.7949 -10.7907 -10.7907 -10.5474 -10.5474 -10.5459 -10.5459 -10.5143 -10.5143 -10.5084 -10.5084 -6.9309 -6.9309 -6.9308 -6.9308 -6.5529 -6.5529 -6.5528 -6.5528 -3.6456 -3.6456 -3.6449 -3.6449 -3.2979 -3.2979 -3.2979 -3.2979 -1.7681 -1.7681 -1.7658 -1.7658 -1.7357 -1.7357 -1.7349 -1.7349 -1.6684 -1.6684 -1.6664 -1.6664 -1.2706 -1.2706 -1.2684 -1.2684 -0.8368 -0.8368 -0.8355 -0.8355 7.5640 7.5640 7.5641 7.5641 8.0685 8.0685 8.0688 8.0688 8.6194 8.6194 8.6198 8.6198 k = 0.5000 0.0889 0.2313 ( 7528 PWs) bands (ev): -27.0648 -27.0648 -27.0648 -27.0648 -20.5497 -20.5497 -20.5497 -20.5497 -18.8400 -18.8400 -18.8399 -18.8399 -18.7457 -18.7457 -18.7457 -18.7457 -10.7954 -10.7954 -10.7906 -10.7906 -10.5478 -10.5478 -10.5461 -10.5461 -10.5149 -10.5149 -10.5081 -10.5081 -6.9304 -6.9304 -6.9304 -6.9304 -6.5537 -6.5537 -6.5536 -6.5536 -3.6469 -3.6469 -3.6460 -3.6460 -3.2977 -3.2977 -3.2977 -3.2977 -1.7669 -1.7669 -1.7641 -1.7641 -1.7318 -1.7318 -1.7310 -1.7310 -1.6686 -1.6686 -1.6664 -1.6664 -1.2731 -1.2731 -1.2705 -1.2705 -0.8371 -0.8371 -0.8356 -0.8356 7.5745 7.5745 7.5747 7.5747 8.0845 8.0845 8.0849 8.0849 8.6205 8.6205 8.6209 8.6209 k = 0.5000 0.1016 0.2313 ( 7532 PWs) bands (ev): -27.0647 -27.0647 -27.0647 -27.0647 -20.5496 -20.5496 -20.5496 -20.5496 -18.8400 -18.8400 -18.8400 -18.8400 -18.7458 -18.7458 -18.7458 -18.7458 -10.7959 -10.7959 -10.7906 -10.7906 -10.5482 -10.5482 -10.5463 -10.5463 -10.5154 -10.5154 -10.5079 -10.5079 -6.9299 -6.9299 -6.9298 -6.9298 -6.5547 -6.5547 -6.5545 -6.5545 -3.6483 -3.6483 -3.6473 -3.6473 -3.2975 -3.2975 -3.2975 -3.2975 -1.7656 -1.7656 -1.7625 -1.7625 -1.7271 -1.7271 -1.7263 -1.7263 -1.6689 -1.6689 -1.6664 -1.6664 -1.2759 -1.2759 -1.2730 -1.2730 -0.8374 -0.8374 -0.8358 -0.8358 7.5866 7.5866 7.5868 7.5868 8.1028 8.1028 8.1033 8.1033 8.6215 8.6215 8.6220 8.6220 k = 0.5000 0.1143 0.2313 ( 7528 PWs) bands (ev): -27.0647 -27.0647 -27.0647 -27.0647 -20.5494 -20.5494 -20.5494 -20.5494 -18.8401 -18.8401 -18.8401 -18.8401 -18.7459 -18.7459 -18.7459 -18.7459 -10.7964 -10.7964 -10.7906 -10.7906 -10.5486 -10.5486 -10.5466 -10.5466 -10.5160 -10.5160 -10.5077 -10.5077 -6.9294 -6.9294 -6.9292 -6.9292 -6.5557 -6.5557 -6.5555 -6.5555 -3.6498 -3.6498 -3.6488 -3.6488 -3.2973 -3.2973 -3.2973 -3.2973 -1.7643 -1.7643 -1.7609 -1.7609 -1.7218 -1.7218 -1.7210 -1.7210 -1.6690 -1.6690 -1.6664 -1.6664 -1.2790 -1.2790 -1.2758 -1.2758 -0.8378 -0.8378 -0.8360 -0.8360 7.6001 7.6001 7.6004 7.6004 8.1233 8.1233 8.1239 8.1239 8.6224 8.6224 8.6229 8.6229 k = 0.5000 0.1271 0.2313 ( 7532 PWs) bands (ev): -27.0647 -27.0647 -27.0647 -27.0647 -20.5493 -20.5493 -20.5493 -20.5493 -18.8401 -18.8401 -18.8401 -18.8401 -18.7461 -18.7461 -18.7461 -18.7461 -10.7969 -10.7969 -10.7907 -10.7907 -10.5491 -10.5491 -10.5469 -10.5469 -10.5165 -10.5165 -10.5077 -10.5077 -6.9287 -6.9287 -6.9286 -6.9286 -6.5567 -6.5567 -6.5566 -6.5566 -3.6514 -3.6514 -3.6504 -3.6504 -3.2970 -3.2970 -3.2970 -3.2970 -1.7631 -1.7631 -1.7593 -1.7593 -1.7159 -1.7159 -1.7152 -1.7152 -1.6691 -1.6691 -1.6664 -1.6664 -1.2824 -1.2824 -1.2789 -1.2789 -0.8382 -0.8382 -0.8362 -0.8362 7.6150 7.6150 7.6153 7.6153 8.1461 8.1461 8.1466 8.1466 8.6231 8.6231 8.6236 8.6236 k = 0.5000 0.1398 0.2313 ( 7532 PWs) bands (ev): -27.0647 -27.0647 -27.0647 -27.0647 -20.5491 -20.5491 -20.5491 -20.5491 -18.8402 -18.8402 -18.8402 -18.8402 -18.7462 -18.7462 -18.7462 -18.7462 -10.7974 -10.7974 -10.7908 -10.7908 -10.5495 -10.5495 -10.5472 -10.5472 -10.5170 -10.5170 -10.5076 -10.5076 -6.9281 -6.9281 -6.9279 -6.9279 -6.5579 -6.5579 -6.5578 -6.5578 -3.6532 -3.6532 -3.6520 -3.6520 -3.2967 -3.2967 -3.2967 -3.2967 -1.7619 -1.7619 -1.7578 -1.7578 -1.7094 -1.7094 -1.7089 -1.7089 -1.6690 -1.6690 -1.6664 -1.6664 -1.2861 -1.2861 -1.2823 -1.2823 -0.8386 -0.8386 -0.8365 -0.8365 7.6311 7.6311 7.6315 7.6315 8.1709 8.1709 8.1715 8.1715 8.6234 8.6234 8.6240 8.6240 k = 0.5000 0.1525 0.2313 ( 7536 PWs) bands (ev): -27.0646 -27.0646 -27.0646 -27.0646 -20.5490 -20.5490 -20.5490 -20.5490 -18.8403 -18.8403 -18.8403 -18.8403 -18.7464 -18.7464 -18.7464 -18.7464 -10.7978 -10.7978 -10.7910 -10.7910 -10.5500 -10.5500 -10.5476 -10.5476 -10.5174 -10.5174 -10.5077 -10.5077 -6.9274 -6.9274 -6.9272 -6.9272 -6.5591 -6.5591 -6.5590 -6.5590 -3.6550 -3.6550 -3.6538 -3.6538 -3.2965 -3.2965 -3.2964 -3.2964 -1.7607 -1.7607 -1.7564 -1.7564 -1.7026 -1.7026 -1.7024 -1.7024 -1.6686 -1.6686 -1.6662 -1.6662 -1.2900 -1.2900 -1.2859 -1.2859 -0.8391 -0.8391 -0.8369 -0.8369 7.6485 7.6485 7.6489 7.6489 8.1977 8.1977 8.1983 8.1983 8.6233 8.6233 8.6239 8.6239 k = 0.5000 0.1652 0.2313 ( 7532 PWs) bands (ev): -27.0646 -27.0646 -27.0646 -27.0646 -20.5488 -20.5488 -20.5488 -20.5488 -18.8404 -18.8404 -18.8404 -18.8404 -18.7465 -18.7465 -18.7465 -18.7465 -10.7982 -10.7982 -10.7912 -10.7912 -10.5504 -10.5504 -10.5479 -10.5479 -10.5178 -10.5178 -10.5078 -10.5078 -6.9266 -6.9266 -6.9265 -6.9265 -6.5604 -6.5604 -6.5602 -6.5602 -3.6568 -3.6568 -3.6556 -3.6556 -3.2962 -3.2962 -3.2961 -3.2961 -1.7596 -1.7596 -1.7551 -1.7551 -1.6959 -1.6959 -1.6955 -1.6955 -1.6677 -1.6677 -1.6659 -1.6659 -1.2940 -1.2940 -1.2898 -1.2898 -0.8396 -0.8396 -0.8373 -0.8373 7.6670 7.6670 7.6674 7.6674 8.2263 8.2263 8.2269 8.2269 8.6226 8.6226 8.6233 8.6233 k = 0.5000 0.1779 0.2313 ( 7524 PWs) bands (ev): -27.0646 -27.0646 -27.0646 -27.0646 -20.5486 -20.5486 -20.5486 -20.5486 -18.8404 -18.8404 -18.8404 -18.8404 -18.7467 -18.7467 -18.7467 -18.7467 -10.7986 -10.7986 -10.7915 -10.7915 -10.5508 -10.5508 -10.5483 -10.5483 -10.5182 -10.5182 -10.5079 -10.5079 -6.9259 -6.9259 -6.9257 -6.9257 -6.5617 -6.5617 -6.5615 -6.5615 -3.6587 -3.6587 -3.6574 -3.6574 -3.2959 -3.2959 -3.2958 -3.2958 -1.7584 -1.7584 -1.7538 -1.7538 -1.6899 -1.6899 -1.6884 -1.6884 -1.6658 -1.6658 -1.6651 -1.6651 -1.2983 -1.2983 -1.2938 -1.2938 -0.8401 -0.8401 -0.8378 -0.8378 7.6865 7.6865 7.6869 7.6869 8.2567 8.2567 8.2573 8.2573 8.6214 8.6214 8.6220 8.6221 k = 0.5000 0.1906 0.2313 ( 7516 PWs) bands (ev): -27.0645 -27.0645 -27.0645 -27.0645 -20.5484 -20.5484 -20.5484 -20.5484 -18.8405 -18.8405 -18.8405 -18.8405 -18.7469 -18.7469 -18.7469 -18.7469 -10.7990 -10.7990 -10.7918 -10.7918 -10.5513 -10.5513 -10.5487 -10.5487 -10.5185 -10.5185 -10.5082 -10.5082 -6.9251 -6.9251 -6.9250 -6.9250 -6.5630 -6.5630 -6.5628 -6.5628 -3.6606 -3.6606 -3.6593 -3.6593 -3.2955 -3.2955 -3.2955 -3.2955 -1.7573 -1.7573 -1.7525 -1.7525 -1.6852 -1.6852 -1.6820 -1.6820 -1.6634 -1.6634 -1.6624 -1.6624 -1.3027 -1.3027 -1.2981 -1.2981 -0.8407 -0.8407 -0.8384 -0.8384 7.7069 7.7069 7.7072 7.7072 8.2886 8.2886 8.2892 8.2892 8.6194 8.6194 8.6201 8.6201 k = 0.5000 0.2033 0.2313 ( 7520 PWs) bands (ev): -27.0645 -27.0645 -27.0645 -27.0645 -20.5482 -20.5482 -20.5482 -20.5482 -18.8406 -18.8406 -18.8406 -18.8406 -18.7471 -18.7471 -18.7471 -18.7471 -10.7994 -10.7994 -10.7921 -10.7921 -10.5517 -10.5517 -10.5491 -10.5491 -10.5189 -10.5189 -10.5085 -10.5085 -6.9244 -6.9244 -6.9242 -6.9242 -6.5643 -6.5643 -6.5642 -6.5642 -3.6624 -3.6624 -3.6612 -3.6612 -3.2952 -3.2952 -3.2952 -3.2952 -1.7562 -1.7562 -1.7513 -1.7513 -1.6821 -1.6821 -1.6773 -1.6773 -1.6599 -1.6599 -1.6572 -1.6572 -1.3072 -1.3072 -1.3025 -1.3025 -0.8413 -0.8413 -0.8390 -0.8390 7.7280 7.7280 7.7284 7.7284 8.3218 8.3218 8.3225 8.3225 8.6166 8.6166 8.6173 8.6173 k = 0.5000 0.2160 0.2313 ( 7528 PWs) bands (ev): -27.0645 -27.0645 -27.0645 -27.0645 -20.5480 -20.5480 -20.5480 -20.5480 -18.8407 -18.8407 -18.8407 -18.8407 -18.7472 -18.7472 -18.7472 -18.7472 -10.7997 -10.7997 -10.7925 -10.7925 -10.5521 -10.5521 -10.5495 -10.5495 -10.5191 -10.5191 -10.5088 -10.5088 -6.9236 -6.9236 -6.9234 -6.9234 -6.5657 -6.5657 -6.5655 -6.5655 -3.6643 -3.6643 -3.6630 -3.6630 -3.2949 -3.2949 -3.2949 -3.2949 -1.7551 -1.7551 -1.7502 -1.7502 -1.6803 -1.6803 -1.6747 -1.6747 -1.6540 -1.6540 -1.6505 -1.6505 -1.3119 -1.3119 -1.3070 -1.3070 -0.8420 -0.8420 -0.8396 -0.8396 7.7497 7.7497 7.7501 7.7501 8.3563 8.3563 8.3569 8.3569 8.6130 8.6130 8.6137 8.6137 k = 0.5000 0.2287 0.2313 ( 7528 PWs) bands (ev): -27.0645 -27.0645 -27.0645 -27.0645 -20.5479 -20.5479 -20.5479 -20.5479 -18.8408 -18.8408 -18.8407 -18.8407 -18.7474 -18.7474 -18.7474 -18.7474 -10.7999 -10.7999 -10.7929 -10.7929 -10.5525 -10.5525 -10.5499 -10.5499 -10.5193 -10.5193 -10.5093 -10.5093 -6.9228 -6.9228 -6.9227 -6.9227 -6.5670 -6.5670 -6.5668 -6.5668 -3.6661 -3.6661 -3.6649 -3.6649 -3.2946 -3.2946 -3.2946 -3.2946 -1.7541 -1.7541 -1.7492 -1.7492 -1.6793 -1.6793 -1.6736 -1.6736 -1.6467 -1.6467 -1.6429 -1.6429 -1.3165 -1.3165 -1.3116 -1.3116 -0.8426 -0.8426 -0.8403 -0.8403 7.7718 7.7718 7.7722 7.7722 8.3916 8.3916 8.3922 8.3922 8.6085 8.6085 8.6092 8.6092 k = 0.5000 0.2414 0.2313 ( 7516 PWs) bands (ev): -27.0644 -27.0644 -27.0644 -27.0644 -20.5477 -20.5477 -20.5477 -20.5477 -18.8408 -18.8408 -18.8408 -18.8408 -18.7476 -18.7476 -18.7476 -18.7476 -10.8001 -10.8001 -10.7933 -10.7933 -10.5528 -10.5528 -10.5503 -10.5503 -10.5195 -10.5195 -10.5097 -10.5097 -6.9221 -6.9221 -6.9219 -6.9219 -6.5682 -6.5682 -6.5681 -6.5681 -3.6678 -3.6678 -3.6666 -3.6666 -3.2943 -3.2943 -3.2943 -3.2943 -1.7530 -1.7530 -1.7482 -1.7482 -1.6788 -1.6788 -1.6732 -1.6732 -1.6387 -1.6387 -1.6348 -1.6348 -1.3212 -1.3212 -1.3163 -1.3163 -0.8432 -0.8432 -0.8410 -0.8410 7.7942 7.7942 7.7946 7.7946 8.4276 8.4276 8.4282 8.4282 8.6031 8.6031 8.6038 8.6038 k = 0.5000 0.2541 0.2313 ( 7516 PWs) bands (ev): -27.0644 -27.0644 -27.0644 -27.0644 -20.5475 -20.5475 -20.5475 -20.5475 -18.8409 -18.8409 -18.8409 -18.8409 -18.7477 -18.7477 -18.7477 -18.7477 -10.8003 -10.8003 -10.7938 -10.7938 -10.5531 -10.5531 -10.5507 -10.5507 -10.5196 -10.5196 -10.5102 -10.5102 -6.9214 -6.9214 -6.9212 -6.9212 -6.5694 -6.5694 -6.5693 -6.5693 -3.6695 -3.6695 -3.6683 -3.6683 -3.2940 -3.2940 -3.2940 -3.2940 -1.7520 -1.7520 -1.7473 -1.7473 -1.6785 -1.6785 -1.6731 -1.6731 -1.6304 -1.6304 -1.6266 -1.6266 -1.3259 -1.3259 -1.3210 -1.3210 -0.8439 -0.8439 -0.8417 -0.8417 7.8166 7.8166 7.8170 7.8170 8.4640 8.4640 8.4645 8.4645 8.5969 8.5969 8.5976 8.5976 k = 0.5000 0.2668 0.2313 ( 7504 PWs) bands (ev): -27.0644 -27.0644 -27.0644 -27.0644 -20.5473 -20.5473 -20.5473 -20.5473 -18.8410 -18.8410 -18.8410 -18.8410 -18.7479 -18.7479 -18.7479 -18.7479 -10.8004 -10.8004 -10.7942 -10.7942 -10.5534 -10.5534 -10.5511 -10.5511 -10.5196 -10.5196 -10.5107 -10.5107 -6.9207 -6.9207 -6.9205 -6.9205 -6.5706 -6.5706 -6.5705 -6.5705 -3.6710 -3.6710 -3.6699 -3.6699 -3.2938 -3.2938 -3.2938 -3.2938 -1.7510 -1.7510 -1.7465 -1.7465 -1.6784 -1.6784 -1.6732 -1.6732 -1.6222 -1.6222 -1.6185 -1.6185 -1.3305 -1.3305 -1.3256 -1.3256 -0.8445 -0.8445 -0.8424 -0.8424 7.8388 7.8388 7.8392 7.8392 8.5002 8.5002 8.5008 8.5008 8.5900 8.5900 8.5907 8.5907 k = 0.5000 0.2795 0.2313 ( 7488 PWs) bands (ev): -27.0643 -27.0643 -27.0643 -27.0643 -20.5472 -20.5472 -20.5472 -20.5472 -18.8410 -18.8410 -18.8410 -18.8410 -18.7480 -18.7480 -18.7480 -18.7480 -10.8004 -10.8004 -10.7947 -10.7947 -10.5536 -10.5536 -10.5515 -10.5515 -10.5196 -10.5196 -10.5113 -10.5113 -6.9200 -6.9200 -6.9199 -6.9199 -6.5717 -6.5717 -6.5715 -6.5715 -3.6724 -3.6724 -3.6714 -3.6714 -3.2935 -3.2935 -3.2935 -3.2935 -1.7500 -1.7500 -1.7458 -1.7458 -1.6783 -1.6783 -1.6735 -1.6735 -1.6142 -1.6142 -1.6106 -1.6106 -1.3349 -1.3349 -1.3302 -1.3302 -0.8451 -0.8451 -0.8432 -0.8432 7.8606 7.8606 7.8610 7.8610 8.5361 8.5361 8.5365 8.5365 8.5825 8.5825 8.5832 8.5832 k = 0.5000 0.2922 0.2313 ( 7492 PWs) bands (ev): -27.0643 -27.0643 -27.0643 -27.0643 -20.5470 -20.5470 -20.5470 -20.5470 -18.8411 -18.8411 -18.8411 -18.8411 -18.7482 -18.7482 -18.7482 -18.7482 -10.8004 -10.8004 -10.7952 -10.7952 -10.5538 -10.5538 -10.5518 -10.5518 -10.5195 -10.5195 -10.5119 -10.5119 -6.9194 -6.9194 -6.9193 -6.9193 -6.5727 -6.5727 -6.5726 -6.5726 -3.6737 -3.6737 -3.6728 -3.6728 -3.2933 -3.2933 -3.2933 -3.2933 -1.7491 -1.7491 -1.7452 -1.7452 -1.6782 -1.6782 -1.6737 -1.6737 -1.6065 -1.6065 -1.6031 -1.6031 -1.3391 -1.3391 -1.3347 -1.3347 -0.8457 -0.8457 -0.8439 -0.8439 7.8816 7.8816 7.8820 7.8820 8.5704 8.5704 8.5709 8.5709 8.5749 8.5749 8.5757 8.5757 k = 0.5000 0.3049 0.2313 ( 7492 PWs) bands (ev): -27.0643 -27.0643 -27.0643 -27.0643 -20.5469 -20.5469 -20.5469 -20.5469 -18.8411 -18.8411 -18.8411 -18.8411 -18.7483 -18.7483 -18.7483 -18.7483 -10.8004 -10.8004 -10.7957 -10.7957 -10.5540 -10.5540 -10.5522 -10.5522 -10.5194 -10.5194 -10.5125 -10.5125 -6.9189 -6.9189 -6.9188 -6.9188 -6.5736 -6.5736 -6.5735 -6.5735 -3.6749 -3.6749 -3.6741 -3.6741 -3.2931 -3.2931 -3.2931 -3.2931 -1.7482 -1.7482 -1.7447 -1.7447 -1.6781 -1.6781 -1.6741 -1.6741 -1.5993 -1.5993 -1.5961 -1.5961 -1.3431 -1.3431 -1.3389 -1.3389 -0.8462 -0.8462 -0.8446 -0.8446 7.9015 7.9015 7.9018 7.9018 8.5662 8.5662 8.5667 8.5667 8.6045 8.6045 8.6048 8.6048 k = 0.5000 0.3176 0.2313 ( 7484 PWs) bands (ev): -27.0643 -27.0643 -27.0643 -27.0643 -20.5468 -20.5468 -20.5468 -20.5468 -18.8412 -18.8412 -18.8412 -18.8412 -18.7484 -18.7484 -18.7484 -18.7484 -10.8003 -10.8003 -10.7962 -10.7962 -10.5541 -10.5541 -10.5525 -10.5525 -10.5192 -10.5192 -10.5132 -10.5132 -6.9184 -6.9184 -6.9183 -6.9183 -6.5744 -6.5744 -6.5743 -6.5743 -3.6760 -3.6760 -3.6752 -3.6752 -3.2929 -3.2929 -3.2929 -3.2929 -1.7474 -1.7474 -1.7443 -1.7443 -1.6779 -1.6779 -1.6744 -1.6744 -1.5927 -1.5927 -1.5897 -1.5897 -1.3467 -1.3467 -1.3429 -1.3429 -0.8466 -0.8466 -0.8452 -0.8452 7.9200 7.9200 7.9203 7.9203 8.5580 8.5580 8.5585 8.5585 8.6357 8.6357 8.6360 8.6360 k = 0.5000 0.3303 0.2313 ( 7484 PWs) bands (ev): -27.0643 -27.0643 -27.0643 -27.0643 -20.5467 -20.5467 -20.5467 -20.5467 -18.8412 -18.8412 -18.8412 -18.8412 -18.7485 -18.7485 -18.7485 -18.7485 -10.8002 -10.8002 -10.7967 -10.7967 -10.5541 -10.5541 -10.5528 -10.5528 -10.5189 -10.5189 -10.5138 -10.5138 -6.9180 -6.9180 -6.9179 -6.9179 -6.5751 -6.5751 -6.5750 -6.5750 -3.6768 -3.6768 -3.6762 -3.6762 -3.2927 -3.2927 -3.2927 -3.2927 -1.7467 -1.7467 -1.7440 -1.7440 -1.6778 -1.6778 -1.6748 -1.6748 -1.5867 -1.5867 -1.5842 -1.5842 -1.3499 -1.3499 -1.3465 -1.3465 -0.8470 -0.8470 -0.8458 -0.8458 7.9366 7.9366 7.9369 7.9369 8.5502 8.5502 8.5507 8.5507 8.6641 8.6641 8.6644 8.6644 k = 0.5000 0.3430 0.2313 ( 7484 PWs) bands (ev): -27.0642 -27.0642 -27.0642 -27.0642 -20.5466 -20.5466 -20.5466 -20.5466 -18.8413 -18.8413 -18.8413 -18.8413 -18.7485 -18.7485 -18.7485 -18.7485 -10.8000 -10.8000 -10.7971 -10.7971 -10.5542 -10.5542 -10.5531 -10.5531 -10.5186 -10.5186 -10.5144 -10.5144 -6.9176 -6.9176 -6.9175 -6.9175 -6.5757 -6.5757 -6.5756 -6.5756 -3.6775 -3.6775 -3.6771 -3.6771 -3.2926 -3.2926 -3.2926 -3.2926 -1.7460 -1.7460 -1.7438 -1.7438 -1.6776 -1.6776 -1.6752 -1.6752 -1.5816 -1.5816 -1.5794 -1.5794 -1.3525 -1.3525 -1.3498 -1.3498 -0.8473 -0.8473 -0.8463 -0.8463 7.9510 7.9510 7.9512 7.9512 8.5432 8.5432 8.5435 8.5435 8.6890 8.6890 8.6892 8.6892 k = 0.5000 0.3557 0.2313 ( 7484 PWs) bands (ev): -27.0642 -27.0642 -27.0642 -27.0642 -20.5466 -20.5466 -20.5466 -20.5466 -18.8413 -18.8413 -18.8413 -18.8413 -18.7486 -18.7486 -18.7486 -18.7486 -10.7998 -10.7998 -10.7976 -10.7976 -10.5542 -10.5542 -10.5533 -10.5533 -10.5182 -10.5182 -10.5151 -10.5151 -6.9173 -6.9173 -6.9173 -6.9173 -6.5761 -6.5761 -6.5761 -6.5761 -3.6781 -3.6781 -3.6777 -3.6777 -3.2925 -3.2925 -3.2925 -3.2925 -1.7454 -1.7454 -1.7437 -1.7437 -1.6774 -1.6774 -1.6755 -1.6755 -1.5774 -1.5774 -1.5757 -1.5757 -1.3546 -1.3546 -1.3525 -1.3525 -0.8475 -0.8475 -0.8468 -0.8468 7.9627 7.9627 7.9629 7.9629 8.5372 8.5372 8.5375 8.5375 8.7094 8.7094 8.7096 8.7096 k = 0.5000 0.3685 0.2313 ( 7484 PWs) bands (ev): -27.0642 -27.0642 -27.0642 -27.0642 -20.5465 -20.5465 -20.5465 -20.5465 -18.8413 -18.8413 -18.8413 -18.8413 -18.7486 -18.7486 -18.7486 -18.7486 -10.7995 -10.7995 -10.7980 -10.7980 -10.5541 -10.5541 -10.5536 -10.5536 -10.5178 -10.5178 -10.5157 -10.5157 -6.9171 -6.9171 -6.9171 -6.9171 -6.5765 -6.5765 -6.5764 -6.5764 -3.6785 -3.6785 -3.6782 -3.6782 -3.2924 -3.2924 -3.2924 -3.2924 -1.7449 -1.7449 -1.7437 -1.7437 -1.6772 -1.6772 -1.6759 -1.6759 -1.5742 -1.5742 -1.5731 -1.5731 -1.3561 -1.3561 -1.3546 -1.3546 -0.8476 -0.8476 -0.8471 -0.8471 7.9714 7.9714 7.9715 7.9715 8.5326 8.5326 8.5328 8.5328 8.7247 8.7247 8.7248 8.7248 k = 0.5000 0.3812 0.2313 ( 7488 PWs) bands (ev): -27.0642 -27.0642 -27.0642 -27.0642 -20.5465 -20.5465 -20.5465 -20.5465 -18.8413 -18.8413 -18.8413 -18.8413 -18.7487 -18.7487 -18.7487 -18.7487 -10.7992 -10.7992 -10.7984 -10.7984 -10.5540 -10.5540 -10.5537 -10.5537 -10.5173 -10.5173 -10.5163 -10.5163 -6.9170 -6.9170 -6.9170 -6.9170 -6.5767 -6.5767 -6.5766 -6.5766 -3.6787 -3.6787 -3.6786 -3.6786 -3.2924 -3.2924 -3.2924 -3.2924 -1.7445 -1.7445 -1.7439 -1.7439 -1.6769 -1.6769 -1.6763 -1.6763 -1.5722 -1.5722 -1.5716 -1.5716 -1.3568 -1.3568 -1.3560 -1.3560 -0.8477 -0.8477 -0.8474 -0.8474 7.9768 7.9768 7.9768 7.9768 8.5298 8.5298 8.5299 8.5299 8.7342 8.7342 8.7342 8.7342 k = 0.5000 0.3939 0.2313 ( 7480 PWs) bands (ev): -27.0642 -27.0642 -27.0642 -27.0642 -20.5465 -20.5465 -20.5465 -20.5465 -18.8413 -18.8413 -18.8413 -18.8413 -18.7487 -18.7487 -18.7487 -18.7487 -10.7988 -10.7988 -10.7988 -10.7988 -10.5539 -10.5539 -10.5539 -10.5539 -10.5168 -10.5168 -10.5168 -10.5168 -6.9169 -6.9169 -6.9169 -6.9169 -6.5767 -6.5767 -6.5767 -6.5767 -3.6787 -3.6787 -3.6787 -3.6787 -3.2924 -3.2924 -3.2924 -3.2924 -1.7441 -1.7441 -1.7441 -1.7441 -1.6766 -1.6766 -1.6766 -1.6766 -1.5713 -1.5713 -1.5713 -1.5713 -1.3568 -1.3568 -1.3568 -1.3568 -0.8476 -0.8476 -0.8476 -0.8476 7.9786 7.9786 7.9786 7.9786 8.5289 8.5289 8.5289 8.5289 8.7374 8.7374 8.7374 8.7374 k = 0.5000 0.3939 0.2313 ( 7480 PWs) bands (ev): -27.0642 -27.0642 -27.0642 -27.0642 -20.5465 -20.5465 -20.5465 -20.5465 -18.8413 -18.8413 -18.8413 -18.8413 -18.7487 -18.7487 -18.7487 -18.7487 -10.7988 -10.7988 -10.7988 -10.7988 -10.5539 -10.5539 -10.5539 -10.5539 -10.5168 -10.5168 -10.5168 -10.5168 -6.9169 -6.9169 -6.9169 -6.9169 -6.5767 -6.5767 -6.5767 -6.5767 -3.6787 -3.6787 -3.6787 -3.6787 -3.2924 -3.2924 -3.2924 -3.2924 -1.7441 -1.7441 -1.7441 -1.7441 -1.6766 -1.6766 -1.6766 -1.6766 -1.5713 -1.5713 -1.5713 -1.5713 -1.3568 -1.3568 -1.3568 -1.3568 -0.8476 -0.8476 -0.8476 -0.8476 7.9786 7.9786 7.9786 7.9786 8.5289 8.5289 8.5289 8.5289 8.7374 8.7374 8.7374 8.7374 k = 0.4872 0.3939 0.2313 ( 7496 PWs) bands (ev): -27.0642 -27.0642 -27.0642 -27.0642 -20.5466 -20.5466 -20.5466 -20.5466 -18.8412 -18.8412 -18.8412 -18.8412 -18.7487 -18.7487 -18.7487 -18.7487 -10.7993 -10.7993 -10.7982 -10.7982 -10.5546 -10.5546 -10.5530 -10.5530 -10.5170 -10.5170 -10.5166 -10.5166 -6.9168 -6.9168 -6.9167 -6.9167 -6.5768 -6.5768 -6.5767 -6.5767 -3.6785 -3.6785 -3.6782 -3.6782 -3.2926 -3.2926 -3.2923 -3.2923 -1.7453 -1.7453 -1.7439 -1.7439 -1.6772 -1.6772 -1.6763 -1.6763 -1.5721 -1.5721 -1.5710 -1.5710 -1.3564 -1.3564 -1.3560 -1.3560 -0.8476 -0.8476 -0.8475 -0.8475 7.9756 7.9756 7.9759 7.9759 8.5140 8.5140 8.5153 8.5153 8.7520 8.7520 8.7533 8.7533 k = 0.4744 0.3939 0.2313 ( 7496 PWs) bands (ev): -27.0643 -27.0643 -27.0643 -27.0643 -20.5470 -20.5470 -20.5470 -20.5470 -18.8407 -18.8407 -18.8407 -18.8407 -18.7487 -18.7487 -18.7487 -18.7487 -10.7996 -10.7996 -10.7973 -10.7973 -10.5550 -10.5550 -10.5518 -10.5518 -10.5172 -10.5172 -10.5164 -10.5164 -6.9161 -6.9161 -6.9160 -6.9160 -6.5769 -6.5769 -6.5768 -6.5768 -3.6777 -3.6777 -3.6769 -3.6769 -3.2929 -3.2929 -3.2924 -3.2924 -1.7475 -1.7475 -1.7445 -1.7445 -1.6781 -1.6781 -1.6764 -1.6764 -1.5734 -1.5734 -1.5713 -1.5713 -1.3548 -1.3548 -1.3542 -1.3542 -0.8477 -0.8477 -0.8474 -0.8474 7.9668 7.9668 7.9673 7.9673 8.4796 8.4796 8.4816 8.4816 8.7887 8.7887 8.7907 8.7907 k = 0.4615 0.3939 0.2313 ( 7504 PWs) bands (ev): -27.0644 -27.0644 -27.0644 -27.0644 -20.5477 -20.5477 -20.5477 -20.5477 -18.8400 -18.8400 -18.8400 -18.8400 -18.7487 -18.7487 -18.7487 -18.7487 -10.7998 -10.7998 -10.7963 -10.7963 -10.5551 -10.5551 -10.5503 -10.5503 -10.5174 -10.5174 -10.5162 -10.5162 -6.9150 -6.9150 -6.9149 -6.9149 -6.5771 -6.5771 -6.5769 -6.5769 -3.6761 -3.6761 -3.6750 -3.6750 -3.2934 -3.2934 -3.2926 -3.2926 -1.7506 -1.7506 -1.7462 -1.7462 -1.6793 -1.6793 -1.6766 -1.6766 -1.5752 -1.5752 -1.5722 -1.5722 -1.3521 -1.3521 -1.3512 -1.3512 -0.8477 -0.8477 -0.8472 -0.8472 7.9524 7.9524 7.9531 7.9531 8.4371 8.4371 8.4393 8.4393 8.8357 8.8357 8.8380 8.8380 k = 0.4487 0.3939 0.2313 ( 7504 PWs) bands (ev): -27.0646 -27.0646 -27.0646 -27.0646 -20.5486 -20.5486 -20.5486 -20.5486 -18.8391 -18.8391 -18.8390 -18.8390 -18.7487 -18.7487 -18.7487 -18.7487 -10.7997 -10.7997 -10.7952 -10.7952 -10.5550 -10.5550 -10.5486 -10.5486 -10.5176 -10.5176 -10.5159 -10.5159 -6.9135 -6.9135 -6.9133 -6.9133 -6.5773 -6.5773 -6.5771 -6.5771 -3.6738 -3.6738 -3.6724 -3.6724 -3.2941 -3.2941 -3.2930 -3.2930 -1.7546 -1.7546 -1.7488 -1.7488 -1.6807 -1.6807 -1.6771 -1.6771 -1.5776 -1.5776 -1.5735 -1.5735 -1.3483 -1.3483 -1.3471 -1.3471 -0.8477 -0.8477 -0.8471 -0.8471 7.9322 7.9322 7.9331 7.9331 8.3922 8.3922 8.3945 8.3945 8.8868 8.8868 8.8892 8.8892 k = 0.4359 0.3939 0.2313 ( 7512 PWs) bands (ev): -27.0647 -27.0647 -27.0647 -27.0647 -20.5498 -20.5498 -20.5498 -20.5498 -18.8378 -18.8378 -18.8378 -18.8378 -18.7487 -18.7487 -18.7487 -18.7487 -10.7995 -10.7995 -10.7939 -10.7939 -10.5546 -10.5546 -10.5467 -10.5467 -10.5177 -10.5177 -10.5156 -10.5156 -6.9116 -6.9116 -6.9113 -6.9113 -6.5775 -6.5775 -6.5773 -6.5773 -3.6708 -3.6708 -3.6690 -3.6690 -3.2949 -3.2949 -3.2935 -3.2935 -1.7594 -1.7594 -1.7523 -1.7523 -1.6824 -1.6824 -1.6778 -1.6778 -1.5805 -1.5805 -1.5755 -1.5755 -1.3435 -1.3435 -1.3420 -1.3420 -0.8476 -0.8476 -0.8469 -0.8469 7.9064 7.9064 7.9075 7.9075 8.3473 8.3473 8.3496 8.3496 8.9389 8.9389 8.9413 8.9413 k = 0.4231 0.3939 0.2313 ( 7508 PWs) bands (ev): -27.0650 -27.0650 -27.0650 -27.0650 -20.5512 -20.5512 -20.5512 -20.5512 -18.8363 -18.8363 -18.8363 -18.8363 -18.7487 -18.7487 -18.7487 -18.7487 -10.7991 -10.7991 -10.7924 -10.7924 -10.5539 -10.5539 -10.5445 -10.5445 -10.5178 -10.5178 -10.5153 -10.5153 -6.9092 -6.9092 -6.9089 -6.9089 -6.5779 -6.5779 -6.5776 -6.5776 -3.6672 -3.6672 -3.6651 -3.6651 -3.2958 -3.2958 -3.2943 -3.2943 -1.7650 -1.7650 -1.7566 -1.7566 -1.6842 -1.6842 -1.6786 -1.6786 -1.5839 -1.5839 -1.5780 -1.5780 -1.3377 -1.3377 -1.3359 -1.3359 -0.8476 -0.8476 -0.8467 -0.8467 7.8755 7.8755 7.8767 7.8767 8.3035 8.3035 8.3056 8.3056 8.9900 8.9900 8.9924 8.9924 k = 0.4103 0.3939 0.2313 ( 7520 PWs) bands (ev): -27.0652 -27.0652 -27.0652 -27.0652 -20.5529 -20.5529 -20.5528 -20.5528 -18.8345 -18.8345 -18.8345 -18.8345 -18.7487 -18.7487 -18.7487 -18.7487 -10.7985 -10.7985 -10.7909 -10.7909 -10.5530 -10.5530 -10.5421 -10.5421 -10.5180 -10.5180 -10.5150 -10.5150 -6.9065 -6.9065 -6.9060 -6.9060 -6.5782 -6.5782 -6.5779 -6.5779 -3.6629 -3.6629 -3.6604 -3.6604 -3.2970 -3.2970 -3.2952 -3.2952 -1.7714 -1.7714 -1.7618 -1.7618 -1.6862 -1.6862 -1.6795 -1.6795 -1.5879 -1.5879 -1.5812 -1.5812 -1.3309 -1.3309 -1.3289 -1.3289 -0.8475 -0.8475 -0.8465 -0.8465 7.8397 7.8397 7.8411 7.8411 8.2611 8.2611 8.2630 8.2630 9.0385 9.0385 9.0410 9.0410 k = 0.3974 0.3939 0.2313 ( 7512 PWs) bands (ev): -27.0655 -27.0655 -27.0655 -27.0655 -20.5547 -20.5547 -20.5547 -20.5547 -18.8325 -18.8325 -18.8325 -18.8325 -18.7487 -18.7487 -18.7486 -18.7486 -10.7978 -10.7978 -10.7892 -10.7892 -10.5518 -10.5518 -10.5394 -10.5394 -10.5181 -10.5181 -10.5147 -10.5147 -6.9033 -6.9033 -6.9028 -6.9028 -6.5787 -6.5787 -6.5783 -6.5783 -3.6579 -3.6579 -3.6551 -3.6551 -3.2983 -3.2983 -3.2962 -3.2962 -1.7784 -1.7784 -1.7677 -1.7677 -1.6883 -1.6883 -1.6805 -1.6805 -1.5925 -1.5925 -1.5848 -1.5848 -1.3234 -1.3234 -1.3211 -1.3211 -0.8474 -0.8474 -0.8463 -0.8463 7.7998 7.7998 7.8012 7.8012 8.2200 8.2200 8.2216 8.2216 9.0828 9.0828 9.0854 9.0854 k = 0.3846 0.3939 0.2313 ( 7516 PWs) bands (ev): -27.0658 -27.0658 -27.0658 -27.0658 -20.5568 -20.5568 -20.5568 -20.5568 -18.8303 -18.8303 -18.8303 -18.8303 -18.7487 -18.7487 -18.7486 -18.7486 -10.7969 -10.7969 -10.7874 -10.7874 -10.5504 -10.5504 -10.5366 -10.5366 -10.5181 -10.5181 -10.5143 -10.5143 -6.8997 -6.8997 -6.8992 -6.8992 -6.5792 -6.5792 -6.5787 -6.5787 -3.6523 -3.6523 -3.6492 -3.6492 -3.2997 -3.2997 -3.2975 -3.2975 -1.7860 -1.7860 -1.7743 -1.7743 -1.6906 -1.6906 -1.6815 -1.6815 -1.5975 -1.5975 -1.5890 -1.5890 -1.3150 -1.3150 -1.3125 -1.3125 -0.8473 -0.8473 -0.8461 -0.8461 7.7565 7.7565 7.7579 7.7579 8.1799 8.1799 8.1813 8.1813 9.1210 9.1210 9.1239 9.1239 k = 0.3718 0.3939 0.2313 ( 7520 PWs) bands (ev): -27.0662 -27.0662 -27.0662 -27.0662 -20.5591 -20.5591 -20.5590 -20.5590 -18.8279 -18.8279 -18.8279 -18.8279 -18.7487 -18.7487 -18.7486 -18.7486 -10.7959 -10.7959 -10.7856 -10.7856 -10.5488 -10.5488 -10.5337 -10.5337 -10.5181 -10.5181 -10.5139 -10.5139 -6.8958 -6.8958 -6.8952 -6.8952 -6.5797 -6.5797 -6.5792 -6.5792 -3.6461 -3.6461 -3.6427 -3.6427 -3.3014 -3.3014 -3.2990 -3.2990 -1.7940 -1.7940 -1.7814 -1.7814 -1.6930 -1.6930 -1.6827 -1.6827 -1.6031 -1.6031 -1.5936 -1.5936 -1.3060 -1.3060 -1.3033 -1.3033 -0.8473 -0.8473 -0.8459 -0.8459 7.7104 7.7104 7.7118 7.7118 8.1406 8.1406 8.1417 8.1417 9.1519 9.1519 9.1550 9.1550 k = 0.3590 0.3939 0.2313 ( 7520 PWs) bands (ev): -27.0666 -27.0666 -27.0666 -27.0666 -20.5615 -20.5615 -20.5615 -20.5615 -18.8253 -18.8253 -18.8253 -18.8253 -18.7486 -18.7486 -18.7486 -18.7486 -10.7948 -10.7948 -10.7836 -10.7836 -10.5469 -10.5469 -10.5305 -10.5305 -10.5181 -10.5181 -10.5134 -10.5134 -6.8915 -6.8915 -6.8909 -6.8909 -6.5803 -6.5803 -6.5798 -6.5798 -3.6394 -3.6394 -3.6357 -3.6357 -3.3032 -3.3032 -3.3007 -3.3007 -1.8025 -1.8025 -1.7890 -1.7890 -1.6956 -1.6956 -1.6840 -1.6840 -1.6091 -1.6091 -1.5987 -1.5987 -1.2963 -1.2963 -1.2934 -1.2934 -0.8472 -0.8472 -0.8457 -0.8457 7.6622 7.6622 7.6637 7.6637 8.1018 8.1018 8.1027 8.1027 9.1753 9.1753 9.1784 9.1784 k = 0.3462 0.3939 0.2313 ( 7512 PWs) bands (ev): -27.0670 -27.0670 -27.0670 -27.0670 -20.5641 -20.5641 -20.5641 -20.5641 -18.8226 -18.8226 -18.8226 -18.8226 -18.7486 -18.7486 -18.7485 -18.7485 -10.7935 -10.7935 -10.7817 -10.7817 -10.5449 -10.5449 -10.5273 -10.5273 -10.5181 -10.5181 -10.5129 -10.5129 -6.8869 -6.8869 -6.8862 -6.8862 -6.5809 -6.5809 -6.5803 -6.5803 -3.6320 -3.6320 -3.6281 -3.6281 -3.3053 -3.3053 -3.3025 -3.3025 -1.8112 -1.8112 -1.7970 -1.7970 -1.6984 -1.6984 -1.6855 -1.6855 -1.6154 -1.6154 -1.6041 -1.6041 -1.2860 -1.2860 -1.2831 -1.2831 -0.8472 -0.8472 -0.8455 -0.8455 7.6126 7.6126 7.6141 7.6141 8.0633 8.0633 8.0641 8.0641 9.1925 9.1925 9.1955 9.1955 k = 0.3333 0.3939 0.2313 ( 7516 PWs) bands (ev): -27.0674 -27.0674 -27.0674 -27.0674 -20.5669 -20.5669 -20.5668 -20.5668 -18.8197 -18.8197 -18.8197 -18.8197 -18.7485 -18.7485 -18.7484 -18.7484 -10.7921 -10.7921 -10.7797 -10.7797 -10.5426 -10.5426 -10.5240 -10.5240 -10.5179 -10.5179 -10.5123 -10.5123 -6.8820 -6.8820 -6.8813 -6.8813 -6.5816 -6.5816 -6.5810 -6.5810 -3.6242 -3.6242 -3.6200 -3.6200 -3.3075 -3.3075 -3.3046 -3.3046 -1.8202 -1.8202 -1.8053 -1.8053 -1.7016 -1.7016 -1.6872 -1.6872 -1.6221 -1.6221 -1.6098 -1.6098 -1.2753 -1.2753 -1.2722 -1.2722 -0.8472 -0.8472 -0.8454 -0.8454 7.5621 7.5621 7.5636 7.5636 8.0250 8.0250 8.0256 8.0256 9.2053 9.2053 9.2081 9.2081 k = 0.3205 0.3939 0.2313 ( 7524 PWs) bands (ev): -27.0679 -27.0679 -27.0679 -27.0679 -20.5697 -20.5697 -20.5697 -20.5697 -18.8168 -18.8168 -18.8168 -18.8168 -18.7484 -18.7484 -18.7483 -18.7483 -10.7907 -10.7907 -10.7777 -10.7777 -10.5403 -10.5403 -10.5210 -10.5210 -10.5173 -10.5173 -10.5117 -10.5117 -6.8768 -6.8768 -6.8761 -6.8761 -6.5823 -6.5823 -6.5817 -6.5817 -3.6160 -3.6160 -3.6115 -3.6115 -3.3099 -3.3099 -3.3069 -3.3069 -1.8293 -1.8293 -1.8137 -1.8137 -1.7050 -1.7050 -1.6892 -1.6892 -1.6289 -1.6289 -1.6157 -1.6157 -1.2641 -1.2641 -1.2609 -1.2609 -0.8472 -0.8472 -0.8453 -0.8453 7.5111 7.5111 7.5127 7.5127 7.9869 7.9869 7.9875 7.9875 9.2144 9.2144 9.2171 9.2171 k = 0.3077 0.3939 0.2313 ( 7524 PWs) bands (ev): -27.0684 -27.0684 -27.0684 -27.0684 -20.5727 -20.5727 -20.5726 -20.5726 -18.8137 -18.8137 -18.8137 -18.8137 -18.7483 -18.7483 -18.7482 -18.7482 -10.7891 -10.7891 -10.7758 -10.7758 -10.5378 -10.5378 -10.5191 -10.5191 -10.5155 -10.5155 -10.5108 -10.5108 -6.8713 -6.8713 -6.8706 -6.8706 -6.5831 -6.5831 -6.5825 -6.5825 -3.6073 -3.6073 -3.6026 -3.6026 -3.3124 -3.3124 -3.3093 -3.3093 -1.8384 -1.8384 -1.8223 -1.8223 -1.7090 -1.7090 -1.6917 -1.6917 -1.6357 -1.6357 -1.6216 -1.6216 -1.2526 -1.2526 -1.2493 -1.2493 -0.8473 -0.8473 -0.8453 -0.8453 7.4602 7.4602 7.4618 7.4618 7.9490 7.9490 7.9496 7.9496 9.2203 9.2203 9.2228 9.2228 k = 0.2949 0.3939 0.2313 ( 7524 PWs) bands (ev): -27.0689 -27.0689 -27.0689 -27.0689 -20.5757 -20.5757 -20.5757 -20.5757 -18.8106 -18.8106 -18.8106 -18.8106 -18.7481 -18.7481 -18.7481 -18.7481 -10.7875 -10.7875 -10.7738 -10.7738 -10.5353 -10.5353 -10.5184 -10.5184 -10.5125 -10.5125 -10.5097 -10.5097 -6.8656 -6.8656 -6.8648 -6.8648 -6.5839 -6.5839 -6.5833 -6.5833 -3.5983 -3.5983 -3.5934 -3.5934 -3.3151 -3.3151 -3.3120 -3.3120 -1.8476 -1.8476 -1.8309 -1.8309 -1.7134 -1.7134 -1.6948 -1.6948 -1.6423 -1.6423 -1.6275 -1.6275 -1.2408 -1.2408 -1.2374 -1.2374 -0.8475 -0.8475 -0.8454 -0.8454 7.4095 7.4095 7.4112 7.4112 7.9114 7.9114 7.9121 7.9121 9.2229 9.2229 9.2254 9.2254 k = 0.2821 0.3939 0.2313 ( 7528 PWs) bands (ev): -27.0694 -27.0694 -27.0694 -27.0694 -20.5788 -20.5788 -20.5788 -20.5788 -18.8075 -18.8075 -18.8074 -18.8074 -18.7480 -18.7480 -18.7479 -18.7479 -10.7858 -10.7858 -10.7719 -10.7719 -10.5327 -10.5327 -10.5180 -10.5180 -10.5100 -10.5100 -10.5076 -10.5076 -6.8597 -6.8597 -6.8589 -6.8589 -6.5848 -6.5848 -6.5841 -6.5841 -3.5890 -3.5890 -3.5839 -3.5839 -3.3179 -3.3179 -3.3147 -3.3147 -1.8566 -1.8566 -1.8395 -1.8395 -1.7184 -1.7184 -1.6987 -1.6987 -1.6485 -1.6485 -1.6332 -1.6332 -1.2287 -1.2287 -1.2253 -1.2253 -0.8477 -0.8477 -0.8456 -0.8456 7.3595 7.3595 7.3611 7.3611 7.8742 7.8742 7.8749 7.8749 9.2221 9.2221 9.2244 9.2244 k = 0.2692 0.3939 0.2313 ( 7528 PWs) bands (ev): -27.0699 -27.0699 -27.0699 -27.0699 -20.5820 -20.5820 -20.5819 -20.5819 -18.8043 -18.8043 -18.8043 -18.8043 -18.7477 -18.7477 -18.7477 -18.7477 -10.7841 -10.7841 -10.7700 -10.7700 -10.5302 -10.5302 -10.5177 -10.5177 -10.5084 -10.5084 -10.5043 -10.5043 -6.8537 -6.8537 -6.8529 -6.8529 -6.5857 -6.5857 -6.5850 -6.5850 -3.5795 -3.5795 -3.5742 -3.5742 -3.3208 -3.3208 -3.3175 -3.3175 -1.8656 -1.8656 -1.8480 -1.8480 -1.7241 -1.7241 -1.7036 -1.7036 -1.6540 -1.6540 -1.6386 -1.6386 -1.2164 -1.2164 -1.2131 -1.2131 -0.8481 -0.8481 -0.8458 -0.8458 7.3103 7.3103 7.3120 7.3120 7.8375 7.8375 7.8384 7.8384 9.2178 9.2178 9.2201 9.2201 k = 0.2564 0.3939 0.2313 ( 7532 PWs) bands (ev): -27.0704 -27.0704 -27.0704 -27.0704 -20.5851 -20.5851 -20.5851 -20.5851 -18.8012 -18.8012 -18.8012 -18.8012 -18.7475 -18.7475 -18.7474 -18.7474 -10.7823 -10.7823 -10.7682 -10.7682 -10.5279 -10.5279 -10.5173 -10.5173 -10.5069 -10.5069 -10.5007 -10.5007 -6.8475 -6.8475 -6.8466 -6.8466 -6.5866 -6.5866 -6.5859 -6.5859 -3.5698 -3.5698 -3.5645 -3.5645 -3.3237 -3.3237 -3.3204 -3.3204 -1.8743 -1.8743 -1.8563 -1.8563 -1.7304 -1.7304 -1.7095 -1.7095 -1.6588 -1.6588 -1.6436 -1.6436 -1.2041 -1.2041 -1.2007 -1.2007 -0.8485 -0.8485 -0.8461 -0.8461 7.2623 7.2623 7.2639 7.2639 7.8016 7.8016 7.8026 7.8026 9.2102 9.2102 9.2124 9.2124 k = 0.2436 0.3939 0.2313 ( 7532 PWs) bands (ev): -27.0709 -27.0709 -27.0709 -27.0709 -20.5883 -20.5883 -20.5882 -20.5882 -18.7981 -18.7981 -18.7981 -18.7981 -18.7471 -18.7471 -18.7470 -18.7470 -10.7805 -10.7805 -10.7665 -10.7665 -10.5257 -10.5257 -10.5169 -10.5169 -10.5052 -10.5052 -10.4970 -10.4970 -6.8412 -6.8412 -6.8403 -6.8403 -6.5876 -6.5876 -6.5869 -6.5869 -3.5601 -3.5601 -3.5547 -3.5547 -3.3267 -3.3267 -3.3233 -3.3233 -1.8828 -1.8828 -1.8645 -1.8645 -1.7374 -1.7374 -1.7165 -1.7165 -1.6627 -1.6627 -1.6482 -1.6482 -1.1916 -1.1916 -1.1882 -1.1882 -0.8490 -0.8490 -0.8465 -0.8465 7.2154 7.2154 7.2171 7.2171 7.7665 7.7665 7.7676 7.7676 9.1995 9.1995 9.2016 9.2016 k = 0.2308 0.3939 0.2313 ( 7528 PWs) bands (ev): -27.0714 -27.0714 -27.0714 -27.0714 -20.5914 -20.5914 -20.5914 -20.5914 -18.7952 -18.7952 -18.7952 -18.7952 -18.7467 -18.7467 -18.7466 -18.7466 -10.7788 -10.7788 -10.7649 -10.7649 -10.5237 -10.5237 -10.5164 -10.5164 -10.5032 -10.5032 -10.4934 -10.4934 -6.8348 -6.8348 -6.8340 -6.8340 -6.5886 -6.5886 -6.5879 -6.5879 -3.5505 -3.5505 -3.5450 -3.5450 -3.3295 -3.3295 -3.3262 -3.3262 -1.8910 -1.8910 -1.8724 -1.8724 -1.7450 -1.7450 -1.7245 -1.7245 -1.6659 -1.6659 -1.6524 -1.6524 -1.1792 -1.1792 -1.1758 -1.1758 -0.8496 -0.8496 -0.8471 -0.8471 7.1701 7.1701 7.1717 7.1717 7.7324 7.7324 7.7335 7.7335 9.1862 9.1862 9.1882 9.1882 k = 0.2179 0.3939 0.2313 ( 7544 PWs) bands (ev): -27.0719 -27.0719 -27.0719 -27.0719 -20.5945 -20.5945 -20.5945 -20.5945 -18.7923 -18.7923 -18.7923 -18.7923 -18.7463 -18.7463 -18.7462 -18.7462 -10.7770 -10.7770 -10.7633 -10.7633 -10.5221 -10.5221 -10.5159 -10.5159 -10.5010 -10.5010 -10.4898 -10.4898 -6.8284 -6.8284 -6.8276 -6.8276 -6.5897 -6.5897 -6.5890 -6.5890 -3.5410 -3.5410 -3.5356 -3.5356 -3.3322 -3.3322 -3.3289 -3.3289 -1.8988 -1.8988 -1.8800 -1.8800 -1.7532 -1.7532 -1.7332 -1.7332 -1.6684 -1.6684 -1.6561 -1.6561 -1.1668 -1.1668 -1.1635 -1.1635 -0.8503 -0.8503 -0.8478 -0.8478 7.1264 7.1264 7.1279 7.1279 7.6995 7.6995 7.7006 7.7006 9.1706 9.1706 9.1726 9.1726 k = 0.2051 0.3939 0.2313 ( 7556 PWs) bands (ev): -27.0724 -27.0724 -27.0724 -27.0724 -20.5976 -20.5976 -20.5975 -20.5975 -18.7896 -18.7896 -18.7896 -18.7896 -18.7457 -18.7457 -18.7457 -18.7457 -10.7752 -10.7752 -10.7619 -10.7619 -10.5207 -10.5207 -10.5153 -10.5153 -10.4984 -10.4984 -10.4863 -10.4863 -6.8220 -6.8220 -6.8212 -6.8212 -6.5907 -6.5907 -6.5901 -6.5901 -3.5319 -3.5319 -3.5264 -3.5264 -3.3347 -3.3347 -3.3314 -3.3314 -1.9063 -1.9063 -1.8873 -1.8873 -1.7619 -1.7619 -1.7424 -1.7424 -1.6705 -1.6705 -1.6593 -1.6593 -1.1545 -1.1545 -1.1512 -1.1512 -0.8511 -0.8511 -0.8485 -0.8485 7.0844 7.0844 7.0859 7.0859 7.6678 7.6678 7.6690 7.6690 9.1534 9.1534 9.1553 9.1553 k = 0.1923 0.3939 0.2313 ( 7564 PWs) bands (ev): -27.0729 -27.0729 -27.0729 -27.0729 -20.6005 -20.6005 -20.6004 -20.6004 -18.7871 -18.7871 -18.7870 -18.7870 -18.7451 -18.7451 -18.7450 -18.7450 -10.7735 -10.7735 -10.7606 -10.7606 -10.5196 -10.5196 -10.5147 -10.5147 -10.4957 -10.4957 -10.4830 -10.4830 -6.8157 -6.8157 -6.8149 -6.8149 -6.5919 -6.5919 -6.5912 -6.5912 -3.5231 -3.5231 -3.5177 -3.5177 -3.3369 -3.3369 -3.3336 -3.3336 -1.9133 -1.9133 -1.8943 -1.8943 -1.7709 -1.7709 -1.7520 -1.7520 -1.6721 -1.6721 -1.6622 -1.6622 -1.1425 -1.1425 -1.1392 -1.1392 -0.8521 -0.8521 -0.8495 -0.8495 7.0443 7.0443 7.0458 7.0458 7.6375 7.6375 7.6387 7.6387 9.1349 9.1349 9.1367 9.1367 k = 0.1795 0.3939 0.2313 ( 7568 PWs) bands (ev): -27.0734 -27.0734 -27.0734 -27.0734 -20.6034 -20.6034 -20.6033 -20.6033 -18.7847 -18.7847 -18.7847 -18.7847 -18.7444 -18.7444 -18.7444 -18.7444 -10.7718 -10.7718 -10.7594 -10.7594 -10.5186 -10.5186 -10.5141 -10.5141 -10.4927 -10.4927 -10.4798 -10.4798 -6.8095 -6.8095 -6.8087 -6.8087 -6.5930 -6.5930 -6.5923 -6.5923 -3.5149 -3.5149 -3.5097 -3.5097 -3.3386 -3.3386 -3.3354 -3.3354 -1.9199 -1.9199 -1.9008 -1.9008 -1.7800 -1.7800 -1.7617 -1.7617 -1.6735 -1.6735 -1.6647 -1.6647 -1.1306 -1.1306 -1.1274 -1.1274 -0.8531 -0.8531 -0.8505 -0.8505 7.0063 7.0063 7.0077 7.0077 7.6086 7.6086 7.6098 7.6098 9.1155 9.1155 9.1172 9.1172 k = 0.1667 0.3939 0.2313 ( 7560 PWs) bands (ev): -27.0738 -27.0738 -27.0738 -27.0738 -20.6061 -20.6061 -20.6060 -20.6060 -18.7825 -18.7825 -18.7825 -18.7825 -18.7437 -18.7437 -18.7436 -18.7436 -10.7701 -10.7701 -10.7583 -10.7583 -10.5178 -10.5178 -10.5135 -10.5135 -10.4897 -10.4897 -10.4767 -10.4767 -6.8033 -6.8033 -6.8026 -6.8026 -6.5941 -6.5941 -6.5934 -6.5934 -3.5073 -3.5073 -3.5023 -3.5023 -3.3399 -3.3399 -3.3368 -3.3368 -1.9259 -1.9259 -1.9070 -1.9070 -1.7893 -1.7893 -1.7716 -1.7716 -1.6747 -1.6747 -1.6670 -1.6670 -1.1191 -1.1191 -1.1159 -1.1159 -0.8543 -0.8543 -0.8516 -0.8516 6.9704 6.9704 6.9718 6.9718 7.5814 7.5814 7.5826 7.5826 9.0957 9.0957 9.0974 9.0974 k = 0.1538 0.3939 0.2313 ( 7556 PWs) bands (ev): -27.0743 -27.0743 -27.0743 -27.0743 -20.6087 -20.6087 -20.6086 -20.6086 -18.7806 -18.7806 -18.7805 -18.7805 -18.7428 -18.7428 -18.7428 -18.7428 -10.7685 -10.7685 -10.7573 -10.7573 -10.5170 -10.5170 -10.5129 -10.5129 -10.4866 -10.4866 -10.4738 -10.4738 -6.7974 -6.7974 -6.7967 -6.7967 -6.5952 -6.5952 -6.5946 -6.5946 -3.5005 -3.5005 -3.4957 -3.4957 -3.3406 -3.3406 -3.3376 -3.3376 -1.9314 -1.9314 -1.9127 -1.9127 -1.7984 -1.7984 -1.7813 -1.7813 -1.6757 -1.6757 -1.6689 -1.6689 -1.1079 -1.1079 -1.1049 -1.1049 -0.8555 -0.8555 -0.8529 -0.8529 6.9367 6.9367 6.9380 6.9380 7.5558 7.5558 7.5570 7.5570 9.0760 9.0760 9.0775 9.0775 k = 0.1410 0.3939 0.2313 ( 7564 PWs) bands (ev): -27.0747 -27.0747 -27.0747 -27.0747 -20.6111 -20.6111 -20.6111 -20.6111 -18.7788 -18.7788 -18.7788 -18.7788 -18.7419 -18.7419 -18.7419 -18.7419 -10.7669 -10.7669 -10.7565 -10.7565 -10.5163 -10.5163 -10.5124 -10.5124 -10.4836 -10.4836 -10.4712 -10.4712 -6.7917 -6.7917 -6.7911 -6.7911 -6.5963 -6.5963 -6.5957 -6.5957 -3.4946 -3.4946 -3.4900 -3.4900 -3.3408 -3.3408 -3.3379 -3.3379 -1.9363 -1.9363 -1.9180 -1.9180 -1.8074 -1.8074 -1.7909 -1.7909 -1.6766 -1.6766 -1.6707 -1.6707 -1.0972 -1.0972 -1.0942 -1.0942 -0.8569 -0.8569 -0.8543 -0.8543 6.9054 6.9054 6.9067 6.9067 7.5320 7.5320 7.5331 7.5331 9.0565 9.0565 9.0579 9.0579 k = 0.1282 0.3939 0.2313 ( 7560 PWs) bands (ev): -27.0751 -27.0751 -27.0751 -27.0751 -20.6134 -20.6134 -20.6134 -20.6134 -18.7773 -18.7773 -18.7772 -18.7772 -18.7410 -18.7410 -18.7410 -18.7410 -10.7655 -10.7655 -10.7558 -10.7558 -10.5157 -10.5157 -10.5120 -10.5120 -10.4806 -10.4806 -10.4688 -10.4688 -6.7863 -6.7863 -6.7857 -6.7857 -6.5974 -6.5974 -6.5968 -6.5968 -3.4895 -3.4895 -3.4853 -3.4853 -3.3403 -3.3403 -3.3376 -3.3376 -1.9407 -1.9407 -1.9229 -1.9229 -1.8160 -1.8160 -1.8003 -1.8003 -1.6774 -1.6774 -1.6722 -1.6722 -1.0869 -1.0869 -1.0841 -1.0841 -0.8583 -0.8583 -0.8558 -0.8558 6.8765 6.8765 6.8777 6.8777 7.5100 7.5100 7.5110 7.5110 9.0376 9.0376 9.0389 9.0389 k = 0.1154 0.3939 0.2313 ( 7548 PWs) bands (ev): -27.0754 -27.0754 -27.0754 -27.0754 -20.6155 -20.6155 -20.6155 -20.6155 -18.7759 -18.7759 -18.7759 -18.7759 -18.7401 -18.7401 -18.7400 -18.7400 -10.7640 -10.7640 -10.7551 -10.7551 -10.5151 -10.5151 -10.5116 -10.5116 -10.4777 -10.4777 -10.4667 -10.4667 -6.7812 -6.7812 -6.7806 -6.7806 -6.5984 -6.5984 -6.5979 -6.5979 -3.4853 -3.4853 -3.4815 -3.4815 -3.3393 -3.3393 -3.3367 -3.3367 -1.9445 -1.9445 -1.9274 -1.9274 -1.8242 -1.8242 -1.8092 -1.8092 -1.6780 -1.6780 -1.6735 -1.6735 -1.0773 -1.0773 -1.0747 -1.0747 -0.8597 -0.8597 -0.8573 -0.8573 6.8501 6.8501 6.8512 6.8512 7.4899 7.4899 7.4909 7.4909 9.0198 9.0198 9.0209 9.0209 k = 0.1026 0.3939 0.2313 ( 7552 PWs) bands (ev): -27.0758 -27.0758 -27.0758 -27.0758 -20.6174 -20.6174 -20.6174 -20.6174 -18.7748 -18.7748 -18.7748 -18.7748 -18.7391 -18.7391 -18.7391 -18.7391 -10.7627 -10.7627 -10.7547 -10.7547 -10.5145 -10.5145 -10.5113 -10.5113 -10.4749 -10.4749 -10.4648 -10.4648 -6.7765 -6.7765 -6.7760 -6.7760 -6.5994 -6.5994 -6.5989 -6.5989 -3.4820 -3.4820 -3.4786 -3.4786 -3.3378 -3.3378 -3.3354 -3.3354 -1.9477 -1.9477 -1.9315 -1.9315 -1.8318 -1.8318 -1.8177 -1.8177 -1.6786 -1.6786 -1.6748 -1.6748 -1.0683 -1.0683 -1.0659 -1.0659 -0.8612 -0.8612 -0.8589 -0.8589 6.8263 6.8263 6.8273 6.8273 7.4717 7.4717 7.4727 7.4727 9.0030 9.0030 9.0041 9.0041 k = 0.0897 0.3939 0.2313 ( 7552 PWs) bands (ev): -27.0761 -27.0761 -27.0761 -27.0761 -20.6192 -20.6192 -20.6191 -20.6191 -18.7738 -18.7738 -18.7738 -18.7738 -18.7382 -18.7382 -18.7382 -18.7382 -10.7614 -10.7614 -10.7543 -10.7543 -10.5139 -10.5139 -10.5110 -10.5110 -10.4723 -10.4723 -10.4632 -10.4632 -6.7722 -6.7722 -6.7717 -6.7717 -6.6004 -6.6004 -6.5999 -6.5999 -3.4794 -3.4794 -3.4765 -3.4765 -3.3359 -3.3359 -3.3338 -3.3338 -1.9502 -1.9502 -1.9352 -1.9352 -1.8387 -1.8387 -1.8257 -1.8257 -1.6791 -1.6791 -1.6758 -1.6758 -1.0601 -1.0601 -1.0578 -1.0578 -0.8626 -0.8626 -0.8605 -0.8605 6.8052 6.8052 6.8061 6.8061 7.4556 7.4556 7.4564 7.4564 8.9878 8.9878 8.9887 8.9887 k = 0.0769 0.3939 0.2313 ( 7548 PWs) bands (ev): -27.0763 -27.0763 -27.0763 -27.0763 -20.6207 -20.6207 -20.6207 -20.6207 -18.7730 -18.7730 -18.7730 -18.7730 -18.7374 -18.7374 -18.7374 -18.7374 -10.7603 -10.7603 -10.7541 -10.7541 -10.5134 -10.5134 -10.5109 -10.5109 -10.4699 -10.4699 -10.4619 -10.4619 -6.7683 -6.7683 -6.7679 -6.7679 -6.6012 -6.6012 -6.6008 -6.6008 -3.4775 -3.4775 -3.4750 -3.4750 -3.3338 -3.3338 -3.3320 -3.3320 -1.9522 -1.9522 -1.9386 -1.9386 -1.8447 -1.8447 -1.8330 -1.8330 -1.6794 -1.6794 -1.6767 -1.6767 -1.0527 -1.0527 -1.0506 -1.0506 -0.8640 -0.8640 -0.8621 -0.8621 6.7868 6.7868 6.7875 6.7875 7.4416 7.4416 7.4423 7.4423 8.9741 8.9741 8.9749 8.9749 k = 0.0641 0.3939 0.2313 ( 7552 PWs) bands (ev): -27.0765 -27.0765 -27.0765 -27.0765 -20.6220 -20.6220 -20.6220 -20.6220 -18.7724 -18.7724 -18.7724 -18.7724 -18.7367 -18.7367 -18.7366 -18.7366 -10.7592 -10.7592 -10.7540 -10.7540 -10.5129 -10.5129 -10.5107 -10.5107 -10.4677 -10.4677 -10.4609 -10.4609 -6.7650 -6.7650 -6.7646 -6.7646 -6.6020 -6.6020 -6.6016 -6.6016 -3.4761 -3.4761 -3.4740 -3.4740 -3.3318 -3.3318 -3.3302 -3.3302 -1.9535 -1.9535 -1.9417 -1.9417 -1.8498 -1.8498 -1.8395 -1.8395 -1.6797 -1.6797 -1.6775 -1.6775 -1.0462 -1.0462 -1.0444 -1.0444 -0.8653 -0.8653 -0.8636 -0.8636 6.7711 6.7711 6.7717 6.7717 7.4296 7.4296 7.4302 7.4302 8.9623 8.9623 8.9629 8.9629 k = 0.0513 0.3939 0.2313 ( 7560 PWs) bands (ev): -27.0767 -27.0767 -27.0767 -27.0767 -20.6231 -20.6231 -20.6230 -20.6230 -18.7719 -18.7719 -18.7719 -18.7719 -18.7360 -18.7360 -18.7360 -18.7360 -10.7582 -10.7582 -10.7540 -10.7540 -10.5125 -10.5125 -10.5107 -10.5107 -10.4657 -10.4657 -10.4602 -10.4602 -6.7621 -6.7621 -6.7619 -6.7619 -6.6026 -6.6026 -6.6023 -6.6023 -3.4751 -3.4751 -3.4735 -3.4735 -3.3298 -3.3298 -3.3285 -3.3285 -1.9543 -1.9543 -1.9444 -1.9444 -1.8539 -1.8539 -1.8453 -1.8453 -1.6799 -1.6799 -1.6782 -1.6782 -1.0407 -1.0407 -1.0392 -1.0392 -0.8664 -0.8664 -0.8650 -0.8650 6.7582 6.7582 6.7588 6.7588 7.4198 7.4198 7.4203 7.4203 8.9524 8.9524 8.9529 8.9529 k = 0.0385 0.3939 0.2313 ( 7564 PWs) bands (ev): -27.0769 -27.0769 -27.0769 -27.0769 -20.6239 -20.6239 -20.6239 -20.6239 -18.7715 -18.7715 -18.7715 -18.7715 -18.7355 -18.7355 -18.7355 -18.7355 -10.7573 -10.7573 -10.7542 -10.7542 -10.5121 -10.5121 -10.5107 -10.5107 -10.4640 -10.4640 -10.4598 -10.4598 -6.7599 -6.7599 -6.7597 -6.7597 -6.6031 -6.6031 -6.6029 -6.6029 -3.4745 -3.4745 -3.4732 -3.4732 -3.3280 -3.3280 -3.3271 -3.3271 -1.9546 -1.9546 -1.9468 -1.9468 -1.8569 -1.8569 -1.8502 -1.8502 -1.6801 -1.6801 -1.6788 -1.6788 -1.0362 -1.0362 -1.0351 -1.0351 -0.8673 -0.8673 -0.8662 -0.8662 6.7482 6.7482 6.7486 6.7486 7.4121 7.4121 7.4125 7.4125 8.9446 8.9446 8.9450 8.9450 k = 0.0256 0.3939 0.2313 ( 7552 PWs) bands (ev): -27.0770 -27.0770 -27.0770 -27.0770 -20.6245 -20.6245 -20.6245 -20.6245 -18.7712 -18.7712 -18.7712 -18.7712 -18.7351 -18.7351 -18.7351 -18.7351 -10.7565 -10.7565 -10.7544 -10.7544 -10.5117 -10.5117 -10.5108 -10.5108 -10.4626 -10.4626 -10.4598 -10.4598 -6.7583 -6.7583 -6.7581 -6.7581 -6.6035 -6.6035 -6.6033 -6.6033 -3.4740 -3.4740 -3.4732 -3.4732 -3.3267 -3.3267 -3.3260 -3.3260 -1.9543 -1.9543 -1.9490 -1.9490 -1.8586 -1.8586 -1.8541 -1.8541 -1.6801 -1.6801 -1.6792 -1.6792 -1.0329 -1.0329 -1.0321 -1.0321 -0.8679 -0.8679 -0.8671 -0.8671 6.7410 6.7410 6.7413 6.7413 7.4067 7.4067 7.4069 7.4069 8.9390 8.9390 8.9393 8.9393 k = 0.0128 0.3939 0.2313 ( 7548 PWs) bands (ev): -27.0770 -27.0770 -27.0770 -27.0770 -20.6248 -20.6248 -20.6248 -20.6248 -18.7711 -18.7711 -18.7711 -18.7711 -18.7349 -18.7349 -18.7349 -18.7349 -10.7558 -10.7558 -10.7548 -10.7548 -10.5114 -10.5114 -10.5109 -10.5109 -10.4614 -10.4614 -10.4600 -10.4600 -6.7573 -6.7573 -6.7572 -6.7572 -6.6037 -6.6037 -6.6036 -6.6036 -3.4736 -3.4736 -3.4732 -3.4732 -3.3257 -3.3257 -3.3254 -3.3254 -1.9535 -1.9535 -1.9509 -1.9509 -1.8592 -1.8592 -1.8569 -1.8569 -1.6800 -1.6800 -1.6796 -1.6796 -1.0308 -1.0308 -1.0304 -1.0304 -0.8682 -0.8682 -0.8678 -0.8678 6.7368 6.7368 6.7369 6.7369 7.4034 7.4034 7.4035 7.4035 8.9356 8.9356 8.9358 8.9358 k = 0.0000 0.3939 0.2313 ( 7560 PWs) bands (ev): -27.0770 -27.0770 -27.0770 -27.0770 -20.6250 -20.6250 -20.6250 -20.6250 -18.7710 -18.7710 -18.7710 -18.7710 -18.7348 -18.7348 -18.7348 -18.7348 -10.7552 -10.7552 -10.7552 -10.7552 -10.5111 -10.5111 -10.5111 -10.5111 -10.4606 -10.4606 -10.4606 -10.4606 -6.7569 -6.7569 -6.7569 -6.7569 -6.6038 -6.6038 -6.6038 -6.6038 -3.4734 -3.4734 -3.4734 -3.4734 -3.3253 -3.3253 -3.3253 -3.3253 -1.9524 -1.9524 -1.9524 -1.9524 -1.8587 -1.8587 -1.8587 -1.8587 -1.6799 -1.6799 -1.6799 -1.6799 -1.0300 -1.0300 -1.0300 -1.0300 -0.8681 -0.8681 -0.8681 -0.8681 6.7354 6.7354 6.7354 6.7354 7.4024 7.4024 7.4024 7.4024 8.9346 8.9346 8.9346 8.9346 k = 0.0000 0.3939 0.2313 ( 7560 PWs) bands (ev): -27.0770 -27.0770 -27.0770 -27.0770 -20.6250 -20.6250 -20.6250 -20.6250 -18.7710 -18.7710 -18.7710 -18.7710 -18.7348 -18.7348 -18.7348 -18.7348 -10.7552 -10.7552 -10.7552 -10.7552 -10.5111 -10.5111 -10.5111 -10.5111 -10.4606 -10.4606 -10.4606 -10.4606 -6.7569 -6.7569 -6.7569 -6.7569 -6.6038 -6.6038 -6.6038 -6.6038 -3.4734 -3.4734 -3.4734 -3.4734 -3.3253 -3.3253 -3.3253 -3.3253 -1.9524 -1.9524 -1.9524 -1.9524 -1.8587 -1.8587 -1.8587 -1.8587 -1.6799 -1.6799 -1.6799 -1.6799 -1.0300 -1.0300 -1.0300 -1.0300 -0.8681 -0.8681 -0.8681 -0.8681 6.7354 6.7354 6.7354 6.7354 7.4024 7.4024 7.4024 7.4024 8.9346 8.9346 8.9346 8.9346 k = 0.0000 0.3812 0.2313 ( 7550 PWs) bands (ev): -27.0770 -27.0770 -27.0770 -27.0770 -20.6250 -20.6250 -20.6250 -20.6250 -18.7710 -18.7710 -18.7710 -18.7710 -18.7348 -18.7348 -18.7348 -18.7348 -10.7553 -10.7553 -10.7551 -10.7551 -10.5113 -10.5113 -10.5110 -10.5110 -10.4606 -10.4606 -10.4605 -10.4605 -6.7569 -6.7569 -6.7569 -6.7569 -6.6037 -6.6037 -6.6037 -6.6037 -3.4741 -3.4741 -3.4738 -3.4738 -3.3247 -3.3247 -3.3245 -3.3245 -1.9527 -1.9527 -1.9520 -1.9520 -1.8586 -1.8586 -1.8585 -1.8585 -1.6801 -1.6801 -1.6797 -1.6797 -1.0300 -1.0300 -1.0300 -1.0300 -0.8682 -0.8682 -0.8682 -0.8682 6.7248 6.7248 6.7249 6.7249 7.4130 7.4130 7.4131 7.4131 8.9344 8.9344 8.9345 8.9345 k = 0.0000 0.3685 0.2313 ( 7542 PWs) bands (ev): -27.0770 -27.0770 -27.0770 -27.0770 -20.6249 -20.6249 -20.6249 -20.6249 -18.7709 -18.7709 -18.7709 -18.7709 -18.7349 -18.7349 -18.7349 -18.7349 -10.7554 -10.7554 -10.7550 -10.7550 -10.5114 -10.5114 -10.5108 -10.5108 -10.4606 -10.4606 -10.4605 -10.4605 -6.7569 -6.7569 -6.7569 -6.7569 -6.6037 -6.6037 -6.6037 -6.6037 -3.4758 -3.4758 -3.4753 -3.4753 -3.3226 -3.3226 -3.3223 -3.3223 -1.9529 -1.9529 -1.9516 -1.9516 -1.8585 -1.8585 -1.8582 -1.8582 -1.6803 -1.6803 -1.6796 -1.6796 -1.0301 -1.0301 -1.0301 -1.0301 -0.8684 -0.8684 -0.8684 -0.8684 6.6952 6.6952 6.6954 6.6954 7.4431 7.4431 7.4433 7.4433 8.9340 8.9340 8.9343 8.9343 k = 0.0000 0.3557 0.2313 ( 7552 PWs) bands (ev): -27.0771 -27.0771 -27.0771 -27.0771 -20.6249 -20.6249 -20.6249 -20.6249 -18.7708 -18.7708 -18.7708 -18.7708 -18.7350 -18.7350 -18.7350 -18.7350 -10.7555 -10.7555 -10.7549 -10.7549 -10.5114 -10.5114 -10.5106 -10.5106 -10.4607 -10.4607 -10.4605 -10.4605 -6.7570 -6.7570 -6.7570 -6.7570 -6.6036 -6.6036 -6.6036 -6.6036 -3.4785 -3.4785 -3.4778 -3.4778 -3.3192 -3.3192 -3.3189 -3.3189 -1.9530 -1.9530 -1.9512 -1.9512 -1.8581 -1.8581 -1.8578 -1.8578 -1.6805 -1.6805 -1.6795 -1.6795 -1.0303 -1.0303 -1.0302 -1.0302 -0.8687 -0.8687 -0.8687 -0.8687 6.6509 6.6509 6.6512 6.6512 7.4882 7.4882 7.4885 7.4885 8.9334 8.9334 8.9339 8.9339 k = 0.0000 0.3430 0.2313 ( 7544 PWs) bands (ev): -27.0771 -27.0771 -27.0771 -27.0771 -20.6248 -20.6248 -20.6248 -20.6248 -18.7707 -18.7707 -18.7707 -18.7707 -18.7352 -18.7352 -18.7352 -18.7352 -10.7556 -10.7556 -10.7547 -10.7547 -10.5115 -10.5115 -10.5104 -10.5104 -10.4608 -10.4608 -10.4606 -10.4606 -6.7570 -6.7570 -6.7570 -6.7570 -6.6035 -6.6035 -6.6035 -6.6035 -3.4820 -3.4820 -3.4810 -3.4810 -3.3147 -3.3147 -3.3143 -3.3143 -1.9531 -1.9531 -1.9506 -1.9506 -1.8576 -1.8576 -1.8571 -1.8571 -1.6808 -1.6808 -1.6794 -1.6794 -1.0305 -1.0305 -1.0304 -1.0304 -0.8691 -0.8691 -0.8691 -0.8691 6.5966 6.5966 6.5970 6.5970 7.5436 7.5436 7.5438 7.5438 8.9329 8.9329 8.9335 8.9335 k = 0.0000 0.3303 0.2313 ( 7540 PWs) bands (ev): -27.0771 -27.0771 -27.0771 -27.0771 -20.6248 -20.6248 -20.6248 -20.6248 -18.7705 -18.7705 -18.7705 -18.7705 -18.7354 -18.7354 -18.7354 -18.7354 -10.7556 -10.7556 -10.7546 -10.7546 -10.5115 -10.5115 -10.5102 -10.5102 -10.4609 -10.4609 -10.4606 -10.4606 -6.7570 -6.7570 -6.7570 -6.7570 -6.6034 -6.6034 -6.6034 -6.6034 -3.4860 -3.4860 -3.4849 -3.4849 -3.3093 -3.3093 -3.3088 -3.3088 -1.9530 -1.9530 -1.9500 -1.9500 -1.8570 -1.8570 -1.8564 -1.8564 -1.6812 -1.6812 -1.6794 -1.6794 -1.0307 -1.0307 -1.0307 -1.0307 -0.8697 -0.8697 -0.8697 -0.8697 6.5359 6.5359 6.5364 6.5364 7.6053 7.6053 7.6056 7.6056 8.9324 8.9324 8.9332 8.9332 k = 0.0000 0.3176 0.2313 ( 7548 PWs) bands (ev): -27.0771 -27.0771 -27.0771 -27.0771 -20.6247 -20.6247 -20.6247 -20.6247 -18.7703 -18.7703 -18.7702 -18.7702 -18.7357 -18.7357 -18.7356 -18.7356 -10.7556 -10.7556 -10.7545 -10.7545 -10.5116 -10.5116 -10.5100 -10.5100 -10.4610 -10.4610 -10.4607 -10.4607 -6.7571 -6.7571 -6.7570 -6.7570 -6.6032 -6.6032 -6.6032 -6.6032 -3.4905 -3.4905 -3.4893 -3.4893 -3.3032 -3.3032 -3.3026 -3.3026 -1.9528 -1.9528 -1.9492 -1.9492 -1.8562 -1.8562 -1.8555 -1.8555 -1.6816 -1.6816 -1.6796 -1.6796 -1.0310 -1.0310 -1.0310 -1.0310 -0.8704 -0.8704 -0.8704 -0.8704 6.4715 6.4715 6.4720 6.4720 7.6705 7.6705 7.6708 7.6708 8.9323 8.9323 8.9332 8.9332 k = 0.0000 0.3049 0.2313 ( 7540 PWs) bands (ev): -27.0772 -27.0772 -27.0772 -27.0772 -20.6246 -20.6246 -20.6246 -20.6246 -18.7700 -18.7700 -18.7700 -18.7700 -18.7360 -18.7360 -18.7359 -18.7359 -10.7556 -10.7556 -10.7543 -10.7543 -10.5115 -10.5115 -10.5097 -10.5097 -10.4612 -10.4612 -10.4608 -10.4608 -6.7571 -6.7571 -6.7571 -6.7571 -6.6031 -6.6031 -6.6031 -6.6031 -3.4953 -3.4953 -3.4940 -3.4940 -3.2965 -3.2965 -3.2959 -3.2959 -1.9524 -1.9524 -1.9483 -1.9483 -1.8552 -1.8552 -1.8544 -1.8544 -1.6822 -1.6822 -1.6798 -1.6798 -1.0313 -1.0313 -1.0313 -1.0313 -0.8711 -0.8711 -0.8711 -0.8711 6.4050 6.4050 6.4056 6.4056 7.7373 7.7373 7.7376 7.7376 8.9326 8.9326 8.9337 8.9337 k = 0.0000 0.2922 0.2313 ( 7528 PWs) bands (ev): -27.0772 -27.0772 -27.0772 -27.0772 -20.6245 -20.6245 -20.6245 -20.6245 -18.7697 -18.7697 -18.7696 -18.7696 -18.7363 -18.7363 -18.7363 -18.7363 -10.7556 -10.7556 -10.7541 -10.7541 -10.5115 -10.5115 -10.5095 -10.5095 -10.4613 -10.4613 -10.4609 -10.4609 -6.7572 -6.7572 -6.7571 -6.7571 -6.6029 -6.6029 -6.6029 -6.6029 -3.5002 -3.5002 -3.4988 -3.4988 -3.2894 -3.2894 -3.2888 -3.2888 -1.9518 -1.9518 -1.9472 -1.9472 -1.8542 -1.8542 -1.8532 -1.8532 -1.6829 -1.6829 -1.6802 -1.6802 -1.0317 -1.0317 -1.0317 -1.0317 -0.8720 -0.8720 -0.8720 -0.8720 6.3378 6.3378 6.3384 6.3384 7.8039 7.8039 7.8042 7.8042 8.9337 8.9337 8.9349 8.9349 k = 0.0000 0.2795 0.2313 ( 7528 PWs) bands (ev): -27.0772 -27.0772 -27.0772 -27.0772 -20.6243 -20.6243 -20.6243 -20.6243 -18.7693 -18.7693 -18.7693 -18.7693 -18.7367 -18.7367 -18.7367 -18.7367 -10.7556 -10.7556 -10.7540 -10.7540 -10.5114 -10.5114 -10.5092 -10.5092 -10.4615 -10.4615 -10.4610 -10.4610 -6.7573 -6.7573 -6.7572 -6.7572 -6.6027 -6.6027 -6.6027 -6.6027 -3.5051 -3.5051 -3.5037 -3.5037 -3.2820 -3.2820 -3.2815 -3.2815 -1.9509 -1.9509 -1.9458 -1.9458 -1.8530 -1.8530 -1.8520 -1.8520 -1.6838 -1.6838 -1.6808 -1.6808 -1.0321 -1.0321 -1.0321 -1.0321 -0.8730 -0.8730 -0.8730 -0.8730 6.2707 6.2707 6.2712 6.2712 7.8692 7.8692 7.8695 7.8695 8.9357 8.9357 8.9370 8.9370 k = 0.0000 0.2668 0.2313 ( 7538 PWs) bands (ev): -27.0773 -27.0773 -27.0773 -27.0773 -20.6242 -20.6242 -20.6242 -20.6242 -18.7689 -18.7689 -18.7689 -18.7689 -18.7372 -18.7372 -18.7371 -18.7371 -10.7556 -10.7556 -10.7538 -10.7538 -10.5113 -10.5113 -10.5090 -10.5090 -10.4616 -10.4616 -10.4611 -10.4611 -6.7573 -6.7573 -6.7573 -6.7573 -6.6024 -6.6024 -6.6024 -6.6024 -3.5100 -3.5100 -3.5086 -3.5086 -3.2746 -3.2746 -3.2741 -3.2741 -1.9497 -1.9497 -1.9442 -1.9442 -1.8517 -1.8517 -1.8506 -1.8506 -1.6849 -1.6849 -1.6817 -1.6817 -1.0326 -1.0326 -1.0326 -1.0326 -0.8740 -0.8740 -0.8740 -0.8740 6.2042 6.2042 6.2048 6.2048 7.9321 7.9321 7.9324 7.9324 8.9387 8.9387 8.9402 8.9402 k = 0.0000 0.2541 0.2313 ( 7536 PWs) bands (ev): -27.0773 -27.0773 -27.0773 -27.0773 -20.6241 -20.6241 -20.6241 -20.6241 -18.7685 -18.7685 -18.7685 -18.7685 -18.7377 -18.7377 -18.7376 -18.7376 -10.7555 -10.7555 -10.7537 -10.7537 -10.5112 -10.5112 -10.5087 -10.5087 -10.4618 -10.4618 -10.4613 -10.4613 -6.7574 -6.7574 -6.7573 -6.7573 -6.6022 -6.6022 -6.6022 -6.6022 -3.5148 -3.5148 -3.5133 -3.5133 -3.2671 -3.2671 -3.2667 -3.2667 -1.9482 -1.9482 -1.9422 -1.9422 -1.8503 -1.8503 -1.8490 -1.8490 -1.6862 -1.6862 -1.6827 -1.6827 -1.0331 -1.0331 -1.0331 -1.0331 -0.8751 -0.8751 -0.8751 -0.8751 6.1390 6.1390 6.1396 6.1396 7.9915 7.9915 7.9918 7.9918 8.9427 8.9427 8.9443 8.9443 k = 0.0000 0.2414 0.2313 ( 7528 PWs) bands (ev): -27.0774 -27.0774 -27.0774 -27.0774 -20.6239 -20.6239 -20.6239 -20.6239 -18.7680 -18.7680 -18.7680 -18.7680 -18.7382 -18.7382 -18.7381 -18.7381 -10.7555 -10.7555 -10.7535 -10.7535 -10.5111 -10.5111 -10.5085 -10.5085 -10.4620 -10.4620 -10.4614 -10.4614 -6.7575 -6.7575 -6.7574 -6.7574 -6.6019 -6.6019 -6.6019 -6.6019 -3.5194 -3.5194 -3.5179 -3.5179 -3.2597 -3.2597 -3.2594 -3.2594 -1.9463 -1.9463 -1.9399 -1.9399 -1.8488 -1.8488 -1.8475 -1.8475 -1.6877 -1.6877 -1.6841 -1.6841 -1.0337 -1.0337 -1.0336 -1.0336 -0.8763 -0.8763 -0.8763 -0.8763 6.0754 6.0754 6.0760 6.0760 8.0467 8.0467 8.0470 8.0470 8.9475 8.9475 8.9492 8.9492 k = 0.0000 0.2287 0.2313 ( 7524 PWs) bands (ev): -27.0774 -27.0774 -27.0774 -27.0774 -20.6238 -20.6238 -20.6238 -20.6238 -18.7675 -18.7675 -18.7675 -18.7675 -18.7388 -18.7388 -18.7387 -18.7387 -10.7554 -10.7554 -10.7534 -10.7534 -10.5110 -10.5110 -10.5082 -10.5082 -10.4621 -10.4621 -10.4615 -10.4615 -6.7576 -6.7576 -6.7575 -6.7575 -6.6016 -6.6016 -6.6016 -6.6016 -3.5238 -3.5238 -3.5223 -3.5223 -3.2525 -3.2525 -3.2522 -3.2522 -1.9439 -1.9439 -1.9373 -1.9373 -1.8472 -1.8472 -1.8458 -1.8458 -1.6896 -1.6896 -1.6857 -1.6857 -1.0342 -1.0342 -1.0341 -1.0341 -0.8775 -0.8775 -0.8775 -0.8775 6.0137 6.0137 6.0143 6.0143 8.0968 8.0968 8.0971 8.0971 8.9525 8.9525 8.9544 8.9544 k = 0.0000 0.2160 0.2313 ( 7536 PWs) bands (ev): -27.0775 -27.0775 -27.0775 -27.0775 -20.6236 -20.6236 -20.6236 -20.6236 -18.7670 -18.7670 -18.7670 -18.7670 -18.7394 -18.7394 -18.7393 -18.7393 -10.7553 -10.7553 -10.7533 -10.7533 -10.5108 -10.5108 -10.5080 -10.5080 -10.4623 -10.4623 -10.4617 -10.4617 -6.7577 -6.7577 -6.7576 -6.7576 -6.6014 -6.6014 -6.6014 -6.6014 -3.5279 -3.5279 -3.5265 -3.5265 -3.2455 -3.2455 -3.2452 -3.2452 -1.9412 -1.9412 -1.9342 -1.9342 -1.8456 -1.8456 -1.8441 -1.8441 -1.6917 -1.6917 -1.6877 -1.6877 -1.0348 -1.0348 -1.0347 -1.0347 -0.8788 -0.8788 -0.8788 -0.8788 5.9541 5.9541 5.9547 5.9547 8.1415 8.1415 8.1418 8.1418 8.9570 8.9570 8.9588 8.9588 k = 0.0000 0.2033 0.2313 ( 7532 PWs) bands (ev): -27.0775 -27.0775 -27.0775 -27.0775 -20.6235 -20.6235 -20.6234 -20.6234 -18.7664 -18.7664 -18.7664 -18.7664 -18.7400 -18.7400 -18.7399 -18.7399 -10.7552 -10.7552 -10.7532 -10.7532 -10.5106 -10.5106 -10.5078 -10.5078 -10.4625 -10.4625 -10.4619 -10.4619 -6.7577 -6.7577 -6.7577 -6.7577 -6.6011 -6.6011 -6.6011 -6.6011 -3.5318 -3.5318 -3.5304 -3.5304 -3.2388 -3.2388 -3.2386 -3.2386 -1.9381 -1.9381 -1.9308 -1.9308 -1.8439 -1.8439 -1.8423 -1.8423 -1.6942 -1.6942 -1.6901 -1.6901 -1.0354 -1.0354 -1.0353 -1.0353 -0.8801 -0.8801 -0.8801 -0.8801 5.8970 5.8970 5.8976 5.8976 8.1804 8.1804 8.1807 8.1807 8.9597 8.9597 8.9615 8.9615 k = 0.0000 0.1906 0.2313 ( 7522 PWs) bands (ev): -27.0776 -27.0776 -27.0776 -27.0776 -20.6233 -20.6233 -20.6233 -20.6233 -18.7658 -18.7658 -18.7658 -18.7658 -18.7407 -18.7407 -18.7406 -18.7406 -10.7551 -10.7551 -10.7531 -10.7531 -10.5104 -10.5104 -10.5076 -10.5076 -10.4627 -10.4627 -10.4620 -10.4620 -6.7578 -6.7578 -6.7577 -6.7577 -6.6008 -6.6008 -6.6008 -6.6008 -3.5354 -3.5354 -3.5341 -3.5341 -3.2324 -3.2324 -3.2322 -3.2322 -1.9345 -1.9345 -1.9270 -1.9270 -1.8422 -1.8422 -1.8405 -1.8405 -1.6970 -1.6970 -1.6927 -1.6927 -1.0360 -1.0360 -1.0359 -1.0359 -0.8814 -0.8814 -0.8814 -0.8814 5.8425 5.8425 5.8431 5.8431 8.2134 8.2134 8.2137 8.2137 8.9594 8.9594 8.9611 8.9611 k = 0.0000 0.1779 0.2313 ( 7526 PWs) bands (ev): -27.0776 -27.0776 -27.0776 -27.0776 -20.6231 -20.6231 -20.6231 -20.6231 -18.7652 -18.7652 -18.7651 -18.7651 -18.7414 -18.7414 -18.7413 -18.7413 -10.7550 -10.7550 -10.7530 -10.7530 -10.5102 -10.5102 -10.5074 -10.5074 -10.4628 -10.4628 -10.4622 -10.4622 -6.7579 -6.7579 -6.7578 -6.7578 -6.6005 -6.6005 -6.6005 -6.6005 -3.5388 -3.5388 -3.5375 -3.5375 -3.2263 -3.2263 -3.2263 -3.2263 -1.9305 -1.9305 -1.9228 -1.9228 -1.8405 -1.8405 -1.8387 -1.8387 -1.7002 -1.7002 -1.6958 -1.6958 -1.0366 -1.0366 -1.0365 -1.0365 -0.8827 -0.8827 -0.8827 -0.8827 5.7908 5.7908 5.7913 5.7913 8.2408 8.2408 8.2411 8.2411 8.9556 8.9556 8.9571 8.9571 k = 0.0000 0.1652 0.2313 ( 7526 PWs) bands (ev): -27.0777 -27.0777 -27.0777 -27.0777 -20.6230 -20.6230 -20.6230 -20.6230 -18.7645 -18.7645 -18.7645 -18.7645 -18.7421 -18.7421 -18.7420 -18.7420 -10.7549 -10.7549 -10.7529 -10.7529 -10.5099 -10.5099 -10.5072 -10.5072 -10.4630 -10.4630 -10.4624 -10.4624 -6.7580 -6.7580 -6.7579 -6.7579 -6.6002 -6.6002 -6.6002 -6.6002 -3.5418 -3.5418 -3.5406 -3.5406 -3.2207 -3.2207 -3.2207 -3.2207 -1.9260 -1.9260 -1.9182 -1.9182 -1.8388 -1.8388 -1.8368 -1.8368 -1.7036 -1.7036 -1.6992 -1.6992 -1.0372 -1.0372 -1.0371 -1.0371 -0.8840 -0.8840 -0.8840 -0.8840 5.7420 5.7420 5.7425 5.7425 8.2630 8.2630 8.2632 8.2632 8.9482 8.9482 8.9494 8.9494 k = 0.0000 0.1525 0.2313 ( 7526 PWs) bands (ev): -27.0777 -27.0777 -27.0777 -27.0777 -20.6228 -20.6228 -20.6228 -20.6228 -18.7638 -18.7638 -18.7638 -18.7638 -18.7428 -18.7428 -18.7428 -18.7428 -10.7548 -10.7548 -10.7528 -10.7528 -10.5097 -10.5097 -10.5071 -10.5071 -10.4631 -10.4631 -10.4625 -10.4625 -6.7581 -6.7581 -6.7580 -6.7580 -6.6000 -6.6000 -6.6000 -6.6000 -3.5446 -3.5446 -3.5434 -3.5434 -3.2155 -3.2155 -3.2155 -3.2155 -1.9212 -1.9212 -1.9133 -1.9133 -1.8370 -1.8370 -1.8350 -1.8350 -1.7075 -1.7075 -1.7029 -1.7029 -1.0378 -1.0378 -1.0377 -1.0377 -0.8853 -0.8853 -0.8853 -0.8853 5.6962 5.6962 5.6967 5.6967 8.2805 8.2805 8.2807 8.2807 8.9378 8.9378 8.9387 8.9387 k = 0.0000 0.1398 0.2313 ( 7526 PWs) bands (ev): -27.0778 -27.0778 -27.0778 -27.0778 -20.6227 -20.6227 -20.6227 -20.6227 -18.7631 -18.7631 -18.7630 -18.7630 -18.7436 -18.7436 -18.7435 -18.7435 -10.7546 -10.7546 -10.7528 -10.7528 -10.5095 -10.5095 -10.5069 -10.5069 -10.4633 -10.4633 -10.4627 -10.4627 -6.7582 -6.7582 -6.7581 -6.7581 -6.5997 -6.5997 -6.5997 -6.5997 -3.5471 -3.5471 -3.5459 -3.5459 -3.2107 -3.2107 -3.2107 -3.2107 -1.9160 -1.9160 -1.9080 -1.9080 -1.8353 -1.8353 -1.8332 -1.8332 -1.7116 -1.7116 -1.7070 -1.7070 -1.0384 -1.0384 -1.0383 -1.0383 -0.8865 -0.8865 -0.8865 -0.8865 5.6537 5.6537 5.6542 5.6542 8.2940 8.2940 8.2942 8.2942 8.9253 8.9253 8.9260 8.9260 k = 0.0000 0.1271 0.2313 ( 7514 PWs) bands (ev): -27.0778 -27.0778 -27.0778 -27.0778 -20.6225 -20.6225 -20.6225 -20.6225 -18.7624 -18.7624 -18.7623 -18.7623 -18.7444 -18.7444 -18.7443 -18.7443 -10.7545 -10.7545 -10.7527 -10.7527 -10.5092 -10.5092 -10.5068 -10.5068 -10.4634 -10.4634 -10.4629 -10.4629 -6.7582 -6.7582 -6.7582 -6.7582 -6.5995 -6.5995 -6.5995 -6.5995 -3.5493 -3.5493 -3.5482 -3.5482 -3.2064 -3.2064 -3.2064 -3.2064 -1.9106 -1.9106 -1.9026 -1.9026 -1.8336 -1.8336 -1.8314 -1.8314 -1.7160 -1.7160 -1.7115 -1.7115 -1.0390 -1.0390 -1.0389 -1.0389 -0.8877 -0.8877 -0.8876 -0.8876 5.6145 5.6145 5.6150 5.6150 8.3041 8.3041 8.3042 8.3042 8.9117 8.9117 8.9122 8.9122 k = 0.0000 0.1143 0.2313 ( 7518 PWs) bands (ev): -27.0779 -27.0779 -27.0779 -27.0779 -20.6224 -20.6224 -20.6224 -20.6224 -18.7616 -18.7616 -18.7615 -18.7615 -18.7452 -18.7452 -18.7451 -18.7451 -10.7543 -10.7543 -10.7527 -10.7527 -10.5090 -10.5090 -10.5067 -10.5067 -10.4635 -10.4635 -10.4630 -10.4630 -6.7583 -6.7583 -6.7582 -6.7582 -6.5992 -6.5992 -6.5992 -6.5992 -3.5512 -3.5512 -3.5503 -3.5503 -3.2026 -3.2026 -3.2025 -3.2025 -1.9049 -1.9049 -1.8970 -1.8970 -1.8319 -1.8319 -1.8297 -1.8297 -1.7206 -1.7206 -1.7161 -1.7161 -1.0395 -1.0395 -1.0394 -1.0394 -0.8888 -0.8888 -0.8887 -0.8887 5.5788 5.5788 5.5792 5.5792 8.3114 8.3114 8.3115 8.3115 8.8978 8.8978 8.8981 8.8981 k = 0.0000 0.1016 0.2313 ( 7514 PWs) bands (ev): -27.0779 -27.0779 -27.0779 -27.0779 -20.6223 -20.6223 -20.6223 -20.6223 -18.7608 -18.7608 -18.7608 -18.7608 -18.7460 -18.7460 -18.7460 -18.7460 -10.7542 -10.7542 -10.7527 -10.7527 -10.5087 -10.5087 -10.5067 -10.5067 -10.4636 -10.4636 -10.4631 -10.4631 -6.7584 -6.7584 -6.7583 -6.7583 -6.5990 -6.5990 -6.5990 -6.5990 -3.5529 -3.5529 -3.5520 -3.5520 -3.1991 -3.1991 -3.1990 -3.1990 -1.8991 -1.8991 -1.8914 -1.8914 -1.8303 -1.8303 -1.8280 -1.8280 -1.7254 -1.7254 -1.7210 -1.7210 -1.0400 -1.0400 -1.0399 -1.0399 -0.8898 -0.8898 -0.8898 -0.8898 5.5465 5.5465 5.5469 5.5469 8.3165 8.3165 8.3166 8.3166 8.8842 8.8842 8.8844 8.8844 k = 0.0000 0.0889 0.2313 ( 7518 PWs) bands (ev): -27.0779 -27.0779 -27.0779 -27.0779 -20.6222 -20.6222 -20.6222 -20.6222 -18.7600 -18.7600 -18.7600 -18.7600 -18.7469 -18.7469 -18.7468 -18.7468 -10.7540 -10.7540 -10.7527 -10.7527 -10.5085 -10.5085 -10.5066 -10.5066 -10.4637 -10.4637 -10.4633 -10.4633 -6.7584 -6.7584 -6.7584 -6.7584 -6.5988 -6.5988 -6.5988 -6.5988 -3.5543 -3.5543 -3.5536 -3.5536 -3.1961 -3.1961 -3.1960 -3.1960 -1.8934 -1.8934 -1.8859 -1.8859 -1.8286 -1.8286 -1.8264 -1.8264 -1.7303 -1.7303 -1.7261 -1.7261 -1.0404 -1.0404 -1.0404 -1.0404 -0.8907 -0.8907 -0.8907 -0.8907 5.5179 5.5179 5.5182 5.5182 8.3200 8.3200 8.3201 8.3201 8.8715 8.8715 8.8716 8.8716 k = 0.0000 0.0762 0.2313 ( 7516 PWs) bands (ev): -27.0780 -27.0780 -27.0780 -27.0780 -20.6221 -20.6221 -20.6221 -20.6221 -18.7592 -18.7592 -18.7592 -18.7592 -18.7477 -18.7477 -18.7476 -18.7476 -10.7539 -10.7539 -10.7527 -10.7527 -10.5082 -10.5082 -10.5066 -10.5066 -10.4638 -10.4638 -10.4634 -10.4634 -6.7585 -6.7585 -6.7584 -6.7584 -6.5986 -6.5986 -6.5986 -6.5986 -3.5556 -3.5556 -3.5549 -3.5549 -3.1935 -3.1935 -3.1934 -3.1934 -1.8877 -1.8877 -1.8807 -1.8807 -1.8270 -1.8270 -1.8248 -1.8248 -1.7351 -1.7351 -1.7312 -1.7312 -1.0408 -1.0408 -1.0408 -1.0408 -0.8915 -0.8915 -0.8915 -0.8915 5.4929 5.4929 5.4932 5.4932 8.3221 8.3221 8.3222 8.3222 8.8600 8.8600 8.8601 8.8601 k = 0.0000 0.0635 0.2313 ( 7516 PWs) bands (ev): -27.0780 -27.0780 -27.0780 -27.0780 -20.6220 -20.6220 -20.6220 -20.6220 -18.7584 -18.7584 -18.7584 -18.7584 -18.7485 -18.7485 -18.7485 -18.7485 -10.7538 -10.7538 -10.7528 -10.7528 -10.5080 -10.5080 -10.5066 -10.5066 -10.4638 -10.4638 -10.4635 -10.4635 -6.7585 -6.7585 -6.7585 -6.7585 -6.5985 -6.5985 -6.5985 -6.5985 -3.5566 -3.5566 -3.5560 -3.5560 -3.1913 -3.1913 -3.1913 -3.1913 -1.8823 -1.8823 -1.8759 -1.8759 -1.8253 -1.8253 -1.8233 -1.8233 -1.7397 -1.7397 -1.7361 -1.7361 -1.0412 -1.0412 -1.0411 -1.0411 -0.8923 -0.8923 -0.8923 -0.8923 5.4717 5.4717 5.4720 5.4720 8.3234 8.3234 8.3235 8.3235 8.8500 8.8500 8.8500 8.8500 k = 0.0000 0.0508 0.2313 ( 7522 PWs) bands (ev): -27.0780 -27.0780 -27.0780 -27.0780 -20.6219 -20.6219 -20.6219 -20.6219 -18.7577 -18.7577 -18.7576 -18.7576 -18.7493 -18.7493 -18.7493 -18.7493 -10.7536 -10.7536 -10.7528 -10.7528 -10.5078 -10.5078 -10.5067 -10.5067 -10.4639 -10.4639 -10.4636 -10.4636 -6.7585 -6.7585 -6.7585 -6.7585 -6.5984 -6.5984 -6.5984 -6.5984 -3.5574 -3.5574 -3.5569 -3.5569 -3.1896 -3.1896 -3.1895 -3.1895 -1.8773 -1.8773 -1.8718 -1.8718 -1.8237 -1.8237 -1.8219 -1.8219 -1.7439 -1.7439 -1.7408 -1.7408 -1.0415 -1.0415 -1.0414 -1.0414 -0.8929 -0.8929 -0.8929 -0.8929 5.4543 5.4543 5.4545 5.4545 8.3241 8.3241 8.3241 8.3241 8.8415 8.8415 8.8416 8.8416 k = 0.0000 0.0381 0.2313 ( 7518 PWs) bands (ev): -27.0781 -27.0781 -27.0781 -27.0781 -20.6219 -20.6219 -20.6219 -20.6219 -18.7569 -18.7569 -18.7569 -18.7569 -18.7501 -18.7501 -18.7500 -18.7500 -10.7535 -10.7535 -10.7529 -10.7529 -10.5076 -10.5076 -10.5068 -10.5068 -10.4639 -10.4639 -10.4637 -10.4637 -6.7586 -6.7586 -6.7585 -6.7585 -6.5983 -6.5983 -6.5983 -6.5983 -3.5580 -3.5580 -3.5576 -3.5576 -3.1882 -3.1882 -3.1881 -3.1881 -1.8730 -1.8730 -1.8686 -1.8686 -1.8222 -1.8222 -1.8207 -1.8207 -1.7476 -1.7476 -1.7450 -1.7450 -1.0417 -1.0417 -1.0417 -1.0417 -0.8933 -0.8933 -0.8933 -0.8933 5.4407 5.4407 5.4408 5.4408 8.3244 8.3244 8.3244 8.3244 8.8349 8.8349 8.8349 8.8349 k = 0.0000 0.0254 0.2313 ( 7514 PWs) bands (ev): -27.0781 -27.0781 -27.0781 -27.0781 -20.6218 -20.6218 -20.6218 -20.6218 -18.7563 -18.7563 -18.7562 -18.7562 -18.7508 -18.7508 -18.7507 -18.7507 -10.7534 -10.7534 -10.7530 -10.7530 -10.5074 -10.5074 -10.5068 -10.5068 -10.4639 -10.4639 -10.4638 -10.4638 -6.7586 -6.7586 -6.7586 -6.7586 -6.5982 -6.5982 -6.5982 -6.5982 -3.5584 -3.5584 -3.5581 -3.5581 -3.1872 -3.1872 -3.1872 -3.1872 -1.8695 -1.8695 -1.8664 -1.8664 -1.8208 -1.8208 -1.8197 -1.8197 -1.7503 -1.7503 -1.7485 -1.7485 -1.0419 -1.0419 -1.0418 -1.0418 -0.8937 -0.8937 -0.8937 -0.8937 5.4310 5.4310 5.4311 5.4311 8.3244 8.3244 8.3245 8.3245 8.8301 8.8301 8.8301 8.8301 k = 0.0000 0.0127 0.2313 ( 7526 PWs) bands (ev): -27.0781 -27.0781 -27.0781 -27.0781 -20.6218 -20.6218 -20.6218 -20.6218 -18.7558 -18.7558 -18.7557 -18.7557 -18.7513 -18.7513 -18.7512 -18.7512 -10.7533 -10.7533 -10.7531 -10.7531 -10.5072 -10.5072 -10.5070 -10.5070 -10.4639 -10.4639 -10.4638 -10.4638 -6.7586 -6.7586 -6.7586 -6.7586 -6.5982 -6.5982 -6.5982 -6.5982 -3.5586 -3.5586 -3.5585 -3.5585 -3.1866 -3.1866 -3.1866 -3.1866 -1.8670 -1.8670 -1.8654 -1.8654 -1.8198 -1.8198 -1.8192 -1.8192 -1.7518 -1.7518 -1.7509 -1.7509 -1.0420 -1.0420 -1.0419 -1.0419 -0.8939 -0.8939 -0.8939 -0.8939 5.4251 5.4251 5.4252 5.4252 8.3244 8.3244 8.3244 8.3244 8.8272 8.8272 8.8272 8.8272 k = 0.0000 0.0000 0.2313 ( 7522 PWs) bands (ev): -27.0781 -27.0781 -27.0781 -27.0781 -20.6218 -20.6218 -20.6218 -20.6218 -18.7555 -18.7555 -18.7555 -18.7555 -18.7515 -18.7515 -18.7515 -18.7515 -10.7532 -10.7532 -10.7532 -10.7532 -10.5071 -10.5071 -10.5071 -10.5071 -10.4639 -10.4639 -10.4639 -10.4639 -6.7586 -6.7586 -6.7586 -6.7586 -6.5982 -6.5982 -6.5982 -6.5982 -3.5586 -3.5586 -3.5586 -3.5586 -3.1864 -3.1864 -3.1864 -3.1864 -1.8656 -1.8656 -1.8656 -1.8656 -1.8192 -1.8192 -1.8192 -1.8192 -1.7521 -1.7521 -1.7521 -1.7521 -1.0420 -1.0420 -1.0420 -1.0420 -0.8939 -0.8939 -0.8939 -0.8939 5.4232 5.4232 5.4232 5.4232 8.3244 8.3244 8.3244 8.3244 8.8262 8.8262 8.8262 8.8262 k = 0.0000 0.3939-0.0000 ( 7554 PWs) bands (ev): -27.0787 -27.0787 -27.0754 -27.0754 -20.6555 -20.6555 -20.5928 -20.5928 -18.8088 -18.8088 -18.7647 -18.7647 -18.7415 -18.7415 -18.6979 -18.6979 -10.7685 -10.7685 -10.7422 -10.7422 -10.5292 -10.5292 -10.4929 -10.4929 -10.4631 -10.4631 -10.4570 -10.4570 -6.9404 -6.9404 -6.6090 -6.6090 -6.5984 -6.5984 -6.5512 -6.5512 -3.7251 -3.7251 -3.3908 -3.3908 -3.3445 -3.3445 -3.1135 -3.1135 -2.1087 -2.1087 -1.9031 -1.9031 -1.8708 -1.8708 -1.8209 -1.8209 -1.7407 -1.7407 -1.5778 -1.5778 -1.1146 -1.1146 -0.9457 -0.9457 -0.9191 -0.9191 -0.8209 -0.8209 6.2575 6.2575 6.9757 6.9757 7.5328 7.5328 8.0887 8.0887 8.3513 8.3513 8.9486 8.9486 k = 0.0000 0.3939 0.0128 ( 7554 PWs) bands (ev): -27.0787 -27.0787 -27.0754 -27.0754 -20.6554 -20.6554 -20.5930 -20.5930 -18.8086 -18.8086 -18.7647 -18.7647 -18.7415 -18.7415 -18.6981 -18.6981 -10.7684 -10.7684 -10.7422 -10.7422 -10.5292 -10.5292 -10.4929 -10.4929 -10.4631 -10.4631 -10.4571 -10.4571 -6.9397 -6.9397 -6.6090 -6.6090 -6.5985 -6.5985 -6.5520 -6.5520 -3.7241 -3.7241 -3.3907 -3.3907 -3.3448 -3.3448 -3.1146 -3.1146 -2.1080 -2.1080 -1.9029 -1.9029 -1.8705 -1.8705 -1.8210 -1.8210 -1.7410 -1.7410 -1.5781 -1.5781 -1.1143 -1.1143 -0.9461 -0.9461 -0.9189 -0.9189 -0.8210 -0.8210 6.2591 6.2591 6.9769 6.9769 7.5279 7.5279 8.0842 8.0842 8.3555 8.3555 8.9513 8.9513 k = 0.0000 0.3939 0.0257 ( 7556 PWs) bands (ev): -27.0786 -27.0786 -27.0754 -27.0754 -20.6551 -20.6551 -20.5933 -20.5933 -18.8081 -18.8081 -18.7647 -18.7647 -18.7415 -18.7415 -18.6986 -18.6986 -10.7683 -10.7683 -10.7424 -10.7424 -10.5290 -10.5290 -10.4931 -10.4931 -10.4631 -10.4631 -10.4571 -10.4571 -6.9377 -6.9377 -6.6089 -6.6089 -6.5985 -6.5985 -6.5546 -6.5546 -3.7210 -3.7210 -3.3902 -3.3902 -3.3456 -3.3456 -3.1180 -3.1180 -2.1062 -2.1062 -1.9022 -1.9022 -1.8697 -1.8697 -1.8213 -1.8213 -1.7420 -1.7420 -1.5791 -1.5791 -1.1133 -1.1133 -0.9470 -0.9470 -0.9183 -0.9183 -0.8216 -0.8216 6.2640 6.2640 6.9804 6.9804 7.5135 7.5135 8.0711 8.0711 8.3675 8.3675 8.9590 8.9590 k = 0.0000 0.3939 0.0385 ( 7552 PWs) bands (ev): -27.0786 -27.0786 -27.0755 -27.0755 -20.6545 -20.6545 -20.5940 -20.5940 -18.8072 -18.8072 -18.7647 -18.7647 -18.7416 -18.7416 -18.6994 -18.6994 -10.7680 -10.7680 -10.7426 -10.7426 -10.5286 -10.5286 -10.4935 -10.4935 -10.4631 -10.4631 -10.4572 -10.4572 -6.9344 -6.9344 -6.6088 -6.6088 -6.5986 -6.5986 -6.5587 -6.5587 -3.7159 -3.7159 -3.3893 -3.3893 -3.3470 -3.3470 -3.1235 -3.1235 -2.1032 -2.1032 -1.9012 -1.9012 -1.8685 -1.8685 -1.8217 -1.8217 -1.7436 -1.7436 -1.5808 -1.5808 -1.1117 -1.1117 -0.9486 -0.9486 -0.9173 -0.9173 -0.8224 -0.8224 6.2721 6.2721 6.9862 6.9862 7.4907 7.4907 8.0500 8.0500 8.3867 8.3867 8.9710 8.9710 k = 0.0000 0.3939 0.0514 ( 7544 PWs) bands (ev): -27.0786 -27.0786 -27.0755 -27.0755 -20.6537 -20.6537 -20.5948 -20.5948 -18.8060 -18.8060 -18.7646 -18.7646 -18.7416 -18.7416 -18.7006 -18.7006 -10.7677 -10.7677 -10.7429 -10.7429 -10.5281 -10.5281 -10.4939 -10.4939 -10.4630 -10.4630 -10.4573 -10.4573 -6.9298 -6.9298 -6.6087 -6.6087 -6.5987 -6.5987 -6.5644 -6.5644 -3.7088 -3.7088 -3.3882 -3.3882 -3.3489 -3.3489 -3.1311 -3.1311 -2.0989 -2.0989 -1.8998 -1.8998 -1.8670 -1.8670 -1.8223 -1.8223 -1.7456 -1.7456 -1.5832 -1.5832 -1.1094 -1.1094 -0.9508 -0.9508 -0.9160 -0.9160 -0.8236 -0.8236 6.2834 6.2834 6.9942 6.9942 7.4606 7.4606 8.0221 8.0221 8.4118 8.4118 8.9861 8.9861 k = 0.0000 0.3939 0.0642 ( 7526 PWs) bands (ev): -27.0785 -27.0785 -27.0756 -27.0756 -20.6527 -20.6527 -20.5959 -20.5959 -18.8044 -18.8044 -18.7646 -18.7646 -18.7416 -18.7416 -18.7020 -18.7020 -10.7672 -10.7672 -10.7434 -10.7434 -10.5275 -10.5275 -10.4945 -10.4945 -10.4629 -10.4629 -10.4574 -10.4574 -6.9239 -6.9239 -6.6085 -6.6085 -6.5989 -6.5989 -6.5717 -6.5717 -3.6998 -3.6998 -3.3866 -3.3866 -3.3515 -3.3515 -3.1406 -3.1406 -2.0936 -2.0936 -1.8982 -1.8982 -1.8656 -1.8656 -1.8229 -1.8229 -1.7478 -1.7478 -1.5863 -1.5863 -1.1065 -1.1065 -0.9537 -0.9537 -0.9142 -0.9142 -0.8252 -0.8252 6.2978 6.2978 7.0043 7.0043 7.4249 7.4249 7.9884 7.9884 8.4417 8.4417 9.0029 9.0029 k = 0.0000 0.3939 0.0771 ( 7524 PWs) bands (ev): -27.0784 -27.0784 -27.0756 -27.0756 -20.6515 -20.6515 -20.5972 -20.5972 -18.8026 -18.8026 -18.7645 -18.7645 -18.7417 -18.7417 -18.7038 -18.7038 -10.7667 -10.7667 -10.7439 -10.7439 -10.5268 -10.5268 -10.4953 -10.4953 -10.4628 -10.4628 -10.4576 -10.4576 -6.9168 -6.9168 -6.6083 -6.6083 -6.5991 -6.5991 -6.5804 -6.5804 -3.6889 -3.6889 -3.3848 -3.3848 -3.3546 -3.3546 -3.1519 -3.1519 -2.0871 -2.0871 -1.8963 -1.8963 -1.8646 -1.8646 -1.8236 -1.8236 -1.7498 -1.7498 -1.5900 -1.5900 -1.1031 -1.1031 -0.9571 -0.9571 -0.9121 -0.9121 -0.8270 -0.8270 6.3154 6.3154 7.0161 7.0161 7.3850 7.3850 7.9501 7.9501 8.4751 8.4751 9.0201 9.0201 k = 0.0000 0.3939 0.0899 ( 7524 PWs) bands (ev): -27.0784 -27.0784 -27.0757 -27.0757 -20.6501 -20.6501 -20.5988 -20.5988 -18.8005 -18.8005 -18.7645 -18.7645 -18.7417 -18.7417 -18.7058 -18.7058 -10.7660 -10.7660 -10.7445 -10.7445 -10.5259 -10.5259 -10.4961 -10.4961 -10.4627 -10.4627 -10.4578 -10.4578 -6.9085 -6.9085 -6.6081 -6.6081 -6.5994 -6.5994 -6.5905 -6.5905 -3.6764 -3.6764 -3.3825 -3.3825 -3.3584 -3.3584 -3.1648 -3.1648 -2.0796 -2.0796 -1.8941 -1.8941 -1.8645 -1.8645 -1.8244 -1.8244 -1.7512 -1.7512 -1.5944 -1.5944 -1.0991 -1.0991 -0.9610 -0.9610 -0.9096 -0.9096 -0.8292 -0.8292 6.3360 6.3360 7.0291 7.0291 7.3426 7.3426 7.9082 7.9082 8.5111 8.5111 9.0363 9.0363 k = 0.0000 0.3939 0.1028 ( 7534 PWs) bands (ev): -27.0783 -27.0783 -27.0758 -27.0758 -20.6485 -20.6485 -20.6005 -20.6005 -18.7981 -18.7981 -18.7645 -18.7645 -18.7417 -18.7417 -18.7081 -18.7081 -10.7653 -10.7653 -10.7452 -10.7452 -10.5250 -10.5250 -10.4971 -10.4971 -10.4626 -10.4626 -10.4580 -10.4580 -6.8990 -6.8990 -6.6078 -6.6078 -6.6019 -6.6019 -6.5996 -6.5996 -3.6623 -3.6623 -3.3799 -3.3799 -3.3629 -3.3629 -3.1791 -3.1791 -2.0711 -2.0711 -1.8918 -1.8918 -1.8656 -1.8656 -1.8254 -1.8254 -1.7514 -1.7514 -1.5994 -1.5994 -1.0945 -1.0945 -0.9655 -0.9655 -0.9069 -0.9069 -0.8316 -0.8316 6.3596 6.3596 7.0422 7.0422 7.2997 7.2997 7.8637 7.8637 8.5490 8.5490 9.0502 9.0502 k = 0.0000 0.3939 0.1156 ( 7532 PWs) bands (ev): -27.0782 -27.0782 -27.0759 -27.0759 -20.6467 -20.6467 -20.6024 -20.6024 -18.7955 -18.7955 -18.7645 -18.7645 -18.7416 -18.7416 -18.7106 -18.7106 -10.7646 -10.7646 -10.7460 -10.7460 -10.5239 -10.5239 -10.4982 -10.4982 -10.4625 -10.4625 -10.4582 -10.4582 -6.8885 -6.8885 -6.6143 -6.6143 -6.6075 -6.6075 -6.6000 -6.6000 -3.6467 -3.6467 -3.3769 -3.3769 -3.3681 -3.3681 -3.1944 -3.1944 -2.0617 -2.0617 -1.8894 -1.8894 -1.8681 -1.8681 -1.8269 -1.8269 -1.7501 -1.7501 -1.6051 -1.6051 -1.0895 -1.0895 -0.9705 -0.9705 -0.9038 -0.9038 -0.8344 -0.8344 6.3861 6.3861 7.0532 7.0532 7.2594 7.2594 7.8175 7.8175 8.5881 8.5881 9.0609 9.0609 k = 0.0000 0.3939 0.1285 ( 7524 PWs) bands (ev): -27.0781 -27.0781 -27.0760 -27.0760 -20.6448 -20.6448 -20.6045 -20.6045 -18.7927 -18.7927 -18.7646 -18.7646 -18.7415 -18.7415 -18.7133 -18.7133 -10.7637 -10.7637 -10.7468 -10.7468 -10.5228 -10.5228 -10.4993 -10.4993 -10.4623 -10.4623 -10.4584 -10.4584 -6.8769 -6.8769 -6.6278 -6.6278 -6.6071 -6.6071 -6.6003 -6.6003 -3.6299 -3.6299 -3.3747 -3.3747 -3.3731 -3.3731 -3.2106 -3.2106 -2.0515 -2.0515 -1.8870 -1.8870 -1.8719 -1.8719 -1.8291 -1.8291 -1.7469 -1.7469 -1.6114 -1.6114 -1.0841 -1.0841 -0.9760 -0.9760 -0.9005 -0.9005 -0.8374 -0.8374 6.4154 6.4154 7.0569 7.0569 7.2273 7.2273 7.7700 7.7700 8.6279 8.6279 9.0672 9.0672 k = 0.0000 0.3939 0.1413 ( 7528 PWs) bands (ev): -27.0780 -27.0780 -27.0761 -27.0761 -20.6427 -20.6427 -20.6067 -20.6067 -18.7898 -18.7898 -18.7648 -18.7648 -18.7414 -18.7414 -18.7161 -18.7161 -10.7628 -10.7628 -10.7477 -10.7477 -10.5215 -10.5215 -10.5006 -10.5006 -10.4621 -10.4621 -10.4587 -10.4587 -6.8643 -6.8643 -6.6422 -6.6422 -6.6068 -6.6068 -6.6007 -6.6007 -3.6119 -3.6119 -3.3815 -3.3815 -3.3696 -3.3696 -3.2272 -3.2272 -2.0406 -2.0406 -1.8852 -1.8852 -1.8766 -1.8766 -1.8319 -1.8319 -1.7419 -1.7419 -1.6183 -1.6183 -1.0782 -1.0782 -0.9818 -0.9818 -0.8969 -0.8969 -0.8406 -0.8406 6.4474 6.4474 7.0455 7.0455 7.2118 7.2118 7.7220 7.7220 8.6681 8.6681 9.0686 9.0686 k = 0.0000 0.3939 0.1542 ( 7528 PWs) bands (ev): -27.0778 -27.0778 -27.0762 -27.0762 -20.6404 -20.6404 -20.6091 -20.6091 -18.7868 -18.7868 -18.7651 -18.7651 -18.7411 -18.7411 -18.7190 -18.7190 -10.7618 -10.7618 -10.7487 -10.7487 -10.5202 -10.5202 -10.5020 -10.5020 -10.4619 -10.4619 -10.4589 -10.4589 -6.8509 -6.8509 -6.6574 -6.6574 -6.6064 -6.6064 -6.6011 -6.6011 -3.5929 -3.5929 -3.3898 -3.3898 -3.3653 -3.3653 -3.2439 -3.2439 -2.0290 -2.0290 -1.8878 -1.8878 -1.8782 -1.8782 -1.8353 -1.8353 -1.7354 -1.7354 -1.6257 -1.6257 -1.0720 -1.0720 -0.9880 -0.9880 -0.8931 -0.8931 -0.8441 -0.8441 6.4819 6.4819 7.0164 7.0164 7.2159 7.2159 7.6739 7.6739 8.7084 8.7084 9.0645 9.0645 k = 0.0000 0.3939 0.1670 ( 7532 PWs) bands (ev): -27.0777 -27.0777 -27.0764 -27.0764 -20.6381 -20.6381 -20.6116 -20.6116 -18.7838 -18.7838 -18.7655 -18.7655 -18.7406 -18.7406 -18.7219 -18.7219 -10.7608 -10.7608 -10.7497 -10.7497 -10.5188 -10.5188 -10.5034 -10.5034 -10.4617 -10.4617 -10.4592 -10.4592 -6.8367 -6.8367 -6.6732 -6.6732 -6.6060 -6.6060 -6.6015 -6.6015 -3.5733 -3.5733 -3.3995 -3.3995 -3.3605 -3.3605 -3.2602 -3.2602 -2.0169 -2.0169 -1.8954 -1.8954 -1.8760 -1.8760 -1.8391 -1.8391 -1.7276 -1.7276 -1.6337 -1.6337 -1.0655 -1.0655 -0.9945 -0.9945 -0.8892 -0.8892 -0.8478 -0.8478 6.5190 6.5190 6.9758 6.9758 7.2338 7.2338 7.6260 7.6260 8.7484 8.7484 9.0548 9.0548 k = 0.0000 0.3939 0.1799 ( 7540 PWs) bands (ev): -27.0776 -27.0776 -27.0765 -27.0765 -20.6356 -20.6356 -20.6142 -20.6142 -18.7809 -18.7809 -18.7660 -18.7660 -18.7400 -18.7400 -18.7248 -18.7248 -10.7597 -10.7597 -10.7507 -10.7507 -10.5173 -10.5173 -10.5049 -10.5049 -10.4615 -10.4615 -10.4595 -10.4595 -6.8218 -6.8218 -6.6895 -6.6895 -6.6056 -6.6056 -6.6019 -6.6019 -3.5531 -3.5531 -3.4109 -3.4109 -3.3551 -3.3551 -3.2758 -3.2758 -2.0043 -2.0043 -1.9050 -1.9050 -1.8730 -1.8730 -1.8430 -1.8430 -1.7188 -1.7188 -1.6422 -1.6422 -1.0587 -1.0587 -1.0013 -1.0013 -0.8851 -0.8851 -0.8516 -0.8516 6.5584 6.5584 6.9296 6.9296 7.2598 7.2598 7.5788 7.5788 8.7880 8.7880 9.0396 9.0396 k = 0.0000 0.3939 0.1927 ( 7546 PWs) bands (ev): -27.0775 -27.0775 -27.0766 -27.0766 -20.6330 -20.6330 -20.6168 -20.6168 -18.7780 -18.7780 -18.7668 -18.7668 -18.7391 -18.7391 -18.7276 -18.7276 -10.7586 -10.7586 -10.7518 -10.7518 -10.5158 -10.5158 -10.5064 -10.5064 -10.4613 -10.4613 -10.4597 -10.4597 -6.8062 -6.8062 -6.7062 -6.7062 -6.6051 -6.6051 -6.6024 -6.6024 -3.5328 -3.5328 -3.4239 -3.4239 -3.3490 -3.3490 -3.2903 -3.2903 -1.9915 -1.9915 -1.9158 -1.9158 -1.8696 -1.8696 -1.8469 -1.8469 -1.7095 -1.7095 -1.6511 -1.6511 -1.0517 -1.0517 -1.0083 -1.0083 -0.8810 -0.8810 -0.8556 -0.8556 6.5999 6.5999 6.8812 6.8812 7.2908 7.2908 7.5326 7.5326 8.8267 8.8267 9.0194 9.0194 k = 0.0000 0.3939 0.2056 ( 7558 PWs) bands (ev): -27.0773 -27.0773 -27.0768 -27.0768 -20.6304 -20.6304 -20.6195 -20.6195 -18.7754 -18.7754 -18.7679 -18.7679 -18.7380 -18.7380 -18.7303 -18.7303 -10.7575 -10.7575 -10.7530 -10.7530 -10.5143 -10.5143 -10.5079 -10.5079 -10.4611 -10.4611 -10.4600 -10.4600 -6.7902 -6.7902 -6.7230 -6.7230 -6.6047 -6.6047 -6.6028 -6.6028 -3.5125 -3.5125 -3.4388 -3.4388 -3.3421 -3.3421 -3.3034 -3.3034 -1.9784 -1.9784 -1.9274 -1.9274 -1.8661 -1.8661 -1.8509 -1.8509 -1.6997 -1.6997 -1.6604 -1.6604 -1.0446 -1.0446 -1.0154 -1.0154 -0.8767 -0.8767 -0.8597 -0.8597 6.6434 6.6434 6.8321 6.8321 7.3253 7.3253 7.4876 7.4876 8.8643 8.8643 8.9947 8.9947 k = 0.0000 0.3939 0.2184 ( 7554 PWs) bands (ev): -27.0772 -27.0772 -27.0769 -27.0769 -20.6277 -20.6277 -20.6222 -20.6222 -18.7731 -18.7731 -18.7693 -18.7693 -18.7366 -18.7366 -18.7327 -18.7327 -10.7564 -10.7564 -10.7541 -10.7541 -10.5127 -10.5127 -10.5095 -10.5095 -10.4608 -10.4608 -10.4603 -10.4603 -6.7737 -6.7737 -6.7400 -6.7400 -6.6042 -6.6042 -6.6033 -6.6033 -3.4926 -3.4926 -3.4554 -3.4554 -3.3343 -3.3343 -3.3151 -3.3151 -1.9654 -1.9654 -1.9397 -1.9397 -1.8624 -1.8624 -1.8548 -1.8548 -1.6898 -1.6898 -1.6700 -1.6700 -1.0373 -1.0373 -1.0227 -1.0227 -0.8724 -0.8724 -0.8639 -0.8639 6.6886 6.6886 6.7833 6.7833 7.3627 7.3627 7.4441 7.4441 8.9004 8.9004 8.9662 8.9662 k = 0.0000 0.3939 0.2313 ( 7560 PWs) bands (ev): -27.0770 -27.0770 -27.0770 -27.0770 -20.6250 -20.6250 -20.6250 -20.6250 -18.7710 -18.7710 -18.7710 -18.7710 -18.7348 -18.7348 -18.7348 -18.7348 -10.7552 -10.7552 -10.7552 -10.7552 -10.5111 -10.5111 -10.5111 -10.5111 -10.4606 -10.4606 -10.4606 -10.4606 -6.7569 -6.7569 -6.7569 -6.7569 -6.6038 -6.6038 -6.6038 -6.6038 -3.4734 -3.4734 -3.4734 -3.4734 -3.3253 -3.3253 -3.3253 -3.3253 -1.9524 -1.9524 -1.9524 -1.9524 -1.8587 -1.8587 -1.8587 -1.8587 -1.6799 -1.6799 -1.6799 -1.6799 -1.0300 -1.0300 -1.0300 -1.0300 -0.8681 -0.8681 -0.8681 -0.8681 6.7354 6.7354 6.7354 6.7354 7.4024 7.4024 7.4024 7.4024 8.9346 8.9346 8.9346 8.9346 k = 0.5000-0.0000 0.2313 ( 7496 PWs) bands (ev): -27.0648 -27.0648 -27.0648 -27.0648 -20.5501 -20.5501 -20.5501 -20.5501 -18.8398 -18.8398 -18.8398 -18.8398 -18.7452 -18.7452 -18.7452 -18.7452 -10.7922 -10.7922 -10.7922 -10.7922 -10.5458 -10.5458 -10.5458 -10.5458 -10.5109 -10.5109 -10.5109 -10.5109 -6.9322 -6.9322 -6.9322 -6.9322 -6.5505 -6.5505 -6.5505 -6.5505 -3.6417 -3.6417 -3.6417 -3.6417 -3.2984 -3.2984 -3.2984 -3.2984 -1.7726 -1.7726 -1.7726 -1.7726 -1.7453 -1.7453 -1.7453 -1.7453 -1.6670 -1.6670 -1.6670 -1.6670 -1.2628 -1.2628 -1.2628 -1.2628 -0.8357 -0.8357 -0.8357 -0.8357 7.5342 7.5342 7.5342 7.5342 8.0237 8.0237 8.0237 8.0237 8.6155 8.6155 8.6155 8.6155 k = 0.5000-0.0000 0.2184 ( 7504 PWs) bands (ev): -27.0650 -27.0650 -27.0647 -27.0647 -20.5530 -20.5530 -20.5473 -20.5473 -18.8403 -18.8403 -18.8392 -18.8392 -18.7496 -18.7496 -18.7408 -18.7408 -10.7925 -10.7925 -10.7918 -10.7918 -10.5460 -10.5460 -10.5456 -10.5456 -10.5115 -10.5115 -10.5104 -10.5104 -6.9323 -6.9323 -6.9322 -6.9322 -6.5663 -6.5663 -6.5344 -6.5344 -3.6440 -3.6440 -3.6393 -3.6393 -3.3223 -3.3223 -3.2747 -3.2747 -1.7790 -1.7790 -1.7662 -1.7662 -1.7515 -1.7515 -1.7389 -1.7389 -1.6734 -1.6734 -1.6606 -1.6606 -1.2795 -1.2795 -1.2460 -1.2460 -0.8393 -0.8393 -0.8324 -0.8324 7.5057 7.5057 7.5610 7.5610 7.9798 7.9798 8.0689 8.0689 8.6090 8.6090 8.6264 8.6264 k = 0.5000-0.0000 0.2056 ( 7514 PWs) bands (ev): -27.0652 -27.0652 -27.0645 -27.0645 -20.5558 -20.5558 -20.5445 -20.5445 -18.8408 -18.8408 -18.8387 -18.8387 -18.7540 -18.7540 -18.7365 -18.7365 -10.7929 -10.7929 -10.7915 -10.7915 -10.5462 -10.5462 -10.5453 -10.5453 -10.5121 -10.5121 -10.5098 -10.5098 -6.9326 -6.9326 -6.9325 -6.9325 -6.5815 -6.5815 -6.5180 -6.5180 -3.6464 -3.6464 -3.6368 -3.6368 -3.3462 -3.3462 -3.2513 -3.2513 -1.7854 -1.7854 -1.7606 -1.7606 -1.7569 -1.7569 -1.7323 -1.7323 -1.6795 -1.6795 -1.6542 -1.6542 -1.2960 -1.2960 -1.2292 -1.2292 -0.8434 -0.8434 -0.8295 -0.8295 7.4759 7.4759 7.5856 7.5856 7.9375 7.9375 8.1153 8.1153 8.6062 8.6062 8.6421 8.6421 k = 0.5000-0.0000 0.1927 ( 7520 PWs) bands (ev): -27.0653 -27.0653 -27.0644 -27.0644 -20.5586 -20.5586 -20.5416 -20.5416 -18.8414 -18.8414 -18.8382 -18.8382 -18.7584 -18.7584 -18.7322 -18.7322 -10.7932 -10.7932 -10.7911 -10.7911 -10.5464 -10.5464 -10.5451 -10.5451 -10.5127 -10.5127 -10.5093 -10.5093 -6.9331 -6.9331 -6.9328 -6.9328 -6.5961 -6.5961 -6.5015 -6.5015 -3.6486 -3.6486 -3.6344 -3.6344 -3.3698 -3.3698 -3.2284 -3.2284 -1.7917 -1.7917 -1.7637 -1.7637 -1.7536 -1.7536 -1.7256 -1.7256 -1.6853 -1.6853 -1.6479 -1.6479 -1.3123 -1.3123 -1.2123 -1.2123 -0.8480 -0.8480 -0.8270 -0.8270 7.4454 7.4454 7.6077 7.6077 7.8970 7.8970 8.1625 8.1625 8.6068 8.6068 8.6628 8.6628 k = 0.5000-0.0000 0.1799 ( 7536 PWs) bands (ev): -27.0655 -27.0655 -27.0642 -27.0642 -20.5612 -20.5612 -20.5389 -20.5389 -18.8419 -18.8419 -18.8377 -18.8377 -18.7626 -18.7626 -18.7281 -18.7281 -10.7936 -10.7936 -10.7908 -10.7908 -10.5466 -10.5466 -10.5448 -10.5448 -10.5133 -10.5133 -10.5089 -10.5089 -6.9338 -6.9338 -6.9333 -6.9333 -6.6100 -6.6100 -6.4850 -6.4850 -3.6508 -3.6508 -3.6321 -3.6321 -3.3931 -3.3931 -3.2061 -3.2061 -1.7978 -1.7978 -1.7690 -1.7690 -1.7483 -1.7483 -1.7191 -1.7191 -1.6903 -1.6903 -1.6418 -1.6418 -1.3284 -1.3284 -1.1955 -1.1955 -0.8530 -0.8530 -0.8248 -0.8248 7.4147 7.4147 7.6270 7.6270 7.8585 7.8585 8.2103 8.2103 8.6102 8.6102 8.6887 8.6887 k = 0.5000-0.0000 0.1670 ( 7548 PWs) bands (ev): -27.0656 -27.0656 -27.0641 -27.0641 -20.5638 -20.5638 -20.5362 -20.5362 -18.8424 -18.8424 -18.8372 -18.8372 -18.7668 -18.7668 -18.7240 -18.7240 -10.7939 -10.7939 -10.7905 -10.7905 -10.5468 -10.5468 -10.5446 -10.5446 -10.5139 -10.5139 -10.5084 -10.5084 -6.9347 -6.9347 -6.9339 -6.9339 -6.6230 -6.6230 -6.4688 -6.4688 -3.6529 -3.6529 -3.6297 -3.6297 -3.4158 -3.4158 -3.1845 -3.1845 -1.8038 -1.8038 -1.7742 -1.7742 -1.7436 -1.7436 -1.7133 -1.7133 -1.6935 -1.6935 -1.6360 -1.6360 -1.3442 -1.3442 -1.1787 -1.1787 -0.8585 -0.8585 -0.8229 -0.8229 7.3842 7.3842 7.6435 7.6435 7.8220 7.8220 8.2583 8.2583 8.6158 8.6158 8.7199 8.7199 k = 0.5000-0.0000 0.1542 ( 7548 PWs) bands (ev): -27.0658 -27.0658 -27.0639 -27.0639 -20.5663 -20.5663 -20.5336 -20.5336 -18.8428 -18.8428 -18.8367 -18.8367 -18.7707 -18.7707 -18.7202 -18.7202 -10.7942 -10.7942 -10.7901 -10.7901 -10.5469 -10.5469 -10.5443 -10.5443 -10.5145 -10.5145 -10.5080 -10.5080 -6.9357 -6.9357 -6.9345 -6.9345 -6.6351 -6.6351 -6.4528 -6.4528 -3.6549 -3.6549 -3.6275 -3.6275 -3.4378 -3.4378 -3.1639 -3.1639 -1.8094 -1.8094 -1.7792 -1.7792 -1.7402 -1.7402 -1.7098 -1.7098 -1.6931 -1.6931 -1.6304 -1.6304 -1.3597 -1.3597 -1.1620 -1.1620 -0.8645 -0.8645 -0.8213 -0.8213 7.3544 7.3544 7.6571 7.6571 7.7879 7.7879 8.3062 8.3062 8.6231 8.6231 8.7561 8.7561 k = 0.5000-0.0000 0.1413 ( 7548 PWs) bands (ev): -27.0659 -27.0659 -27.0638 -27.0638 -20.5686 -20.5686 -20.5311 -20.5311 -18.8433 -18.8433 -18.8363 -18.8363 -18.7745 -18.7745 -18.7165 -18.7165 -10.7945 -10.7945 -10.7898 -10.7898 -10.5471 -10.5471 -10.5440 -10.5440 -10.5150 -10.5150 -10.5075 -10.5075 -6.9370 -6.9370 -6.9352 -6.9352 -6.6462 -6.6462 -6.4374 -6.4374 -3.6567 -3.6567 -3.6253 -3.6253 -3.4588 -3.4588 -3.1444 -3.1444 -1.8147 -1.8147 -1.7838 -1.7838 -1.7386 -1.7386 -1.7086 -1.7086 -1.6884 -1.6884 -1.6251 -1.6251 -1.3749 -1.3749 -1.1454 -1.1454 -0.8710 -0.8710 -0.8200 -0.8200 7.3257 7.3257 7.6681 7.6681 7.7561 7.7561 8.3535 8.3535 8.6316 8.6316 8.7807 8.7807 k = 0.5000-0.0000 0.1285 ( 7548 PWs) bands (ev): -27.0660 -27.0660 -27.0637 -27.0637 -20.5708 -20.5708 -20.5288 -20.5288 -18.8437 -18.8437 -18.8358 -18.8358 -18.7781 -18.7781 -18.7131 -18.7131 -10.7948 -10.7948 -10.7895 -10.7895 -10.5472 -10.5472 -10.5438 -10.5438 -10.5156 -10.5156 -10.5072 -10.5072 -6.9384 -6.9384 -6.9359 -6.9359 -6.6564 -6.6564 -6.4227 -6.4227 -3.6585 -3.6585 -3.6232 -3.6232 -3.4788 -3.4788 -3.1261 -3.1261 -1.8197 -1.8197 -1.7881 -1.7881 -1.7390 -1.7390 -1.7074 -1.7074 -1.6815 -1.6815 -1.6201 -1.6201 -1.3896 -1.3896 -1.1290 -1.1290 -0.8781 -0.8781 -0.8188 -0.8188 7.2984 7.2984 7.6766 7.6766 7.7268 7.7268 8.3997 8.3997 8.6410 8.6410 8.7708 8.7708 k = 0.5000-0.0000 0.1156 ( 7534 PWs) bands (ev): -27.0661 -27.0661 -27.0636 -27.0636 -20.5729 -20.5729 -20.5266 -20.5266 -18.8441 -18.8441 -18.8354 -18.8354 -18.7814 -18.7814 -18.7099 -18.7099 -10.7950 -10.7950 -10.7892 -10.7892 -10.5473 -10.5473 -10.5435 -10.5435 -10.5161 -10.5161 -10.5068 -10.5068 -6.9399 -6.9399 -6.9366 -6.9366 -6.6655 -6.6655 -6.4087 -6.4087 -3.6601 -3.6601 -3.6213 -3.6213 -3.4974 -3.4974 -3.1091 -3.1091 -1.8243 -1.8243 -1.7920 -1.7920 -1.7410 -1.7410 -1.7054 -1.7054 -1.6737 -1.6737 -1.6156 -1.6156 -1.4038 -1.4038 -1.1128 -1.1128 -0.8857 -0.8857 -0.8179 -0.8179 7.2729 7.2729 7.6830 7.6830 7.7000 7.7000 8.4446 8.4446 8.6507 8.6507 8.7616 8.7616 k = 0.5000-0.0000 0.1028 ( 7518 PWs) bands (ev): -27.0662 -27.0662 -27.0635 -27.0635 -20.5747 -20.5747 -20.5246 -20.5246 -18.8445 -18.8445 -18.8351 -18.8351 -18.7844 -18.7844 -18.7070 -18.7070 -10.7953 -10.7953 -10.7890 -10.7890 -10.5473 -10.5473 -10.5432 -10.5432 -10.5166 -10.5166 -10.5065 -10.5065 -6.9415 -6.9415 -6.9372 -6.9372 -6.6735 -6.6735 -6.3958 -6.3958 -3.6615 -3.6615 -3.6195 -3.6195 -3.5146 -3.5146 -3.0935 -3.0935 -1.8285 -1.8285 -1.7956 -1.7956 -1.7441 -1.7441 -1.7028 -1.7028 -1.6657 -1.6657 -1.6114 -1.6114 -1.4175 -1.4175 -1.0968 -1.0968 -0.8938 -0.8938 -0.8171 -0.8171 7.2494 7.2494 7.6758 7.6758 7.6877 7.6877 8.4874 8.4874 8.6605 8.6605 8.7531 8.7531 k = 0.5000-0.0000 0.0899 ( 7514 PWs) bands (ev): -27.0663 -27.0663 -27.0634 -27.0634 -20.5764 -20.5764 -20.5228 -20.5228 -18.8448 -18.8448 -18.8347 -18.8347 -18.7872 -18.7872 -18.7044 -18.7044 -10.7955 -10.7955 -10.7888 -10.7888 -10.5474 -10.5474 -10.5430 -10.5430 -10.5171 -10.5171 -10.5062 -10.5062 -6.9431 -6.9431 -6.9378 -6.9378 -6.6806 -6.6806 -6.3840 -6.3840 -3.6628 -3.6628 -3.6179 -3.6179 -3.5303 -3.5303 -3.0795 -3.0795 -1.8323 -1.8323 -1.7988 -1.7988 -1.7474 -1.7474 -1.6999 -1.6999 -1.6575 -1.6575 -1.6076 -1.6076 -1.4305 -1.4305 -1.0811 -1.0811 -0.9025 -0.9025 -0.8165 -0.8165 7.2281 7.2281 7.6544 7.6544 7.6909 7.6909 8.5278 8.5278 8.6700 8.6700 8.7454 8.7454 k = 0.5000-0.0000 0.0771 ( 7510 PWs) bands (ev): -27.0664 -27.0664 -27.0633 -27.0633 -20.5778 -20.5778 -20.5212 -20.5212 -18.8451 -18.8451 -18.8344 -18.8344 -18.7896 -18.7896 -18.7020 -18.7020 -10.7956 -10.7956 -10.7885 -10.7885 -10.5475 -10.5475 -10.5428 -10.5428 -10.5175 -10.5175 -10.5060 -10.5060 -6.9447 -6.9447 -6.9384 -6.9384 -6.6866 -6.6866 -6.3734 -6.3734 -3.6639 -3.6639 -3.6165 -3.6165 -3.5441 -3.5441 -3.0671 -3.0671 -1.8356 -1.8356 -1.8016 -1.8016 -1.7508 -1.7508 -1.6971 -1.6971 -1.6495 -1.6495 -1.6043 -1.6043 -1.4427 -1.4427 -1.0658 -1.0658 -0.9117 -0.9117 -0.8160 -0.8160 7.2094 7.2094 7.6358 7.6358 7.6929 7.6929 8.5650 8.5650 8.6788 8.6788 8.7386 8.7386 k = 0.5000-0.0000 0.0642 ( 7506 PWs) bands (ev): -27.0665 -27.0665 -27.0632 -27.0632 -20.5791 -20.5791 -20.5198 -20.5198 -18.8453 -18.8453 -18.8342 -18.8342 -18.7917 -18.7917 -18.7001 -18.7001 -10.7958 -10.7958 -10.7884 -10.7884 -10.5475 -10.5475 -10.5426 -10.5426 -10.5178 -10.5178 -10.5058 -10.5058 -6.9461 -6.9461 -6.9389 -6.9389 -6.6916 -6.6916 -6.3643 -6.3643 -3.6648 -3.6648 -3.6153 -3.6153 -3.5561 -3.5561 -3.0565 -3.0565 -1.8384 -1.8384 -1.8040 -1.8040 -1.7538 -1.7538 -1.6946 -1.6946 -1.6419 -1.6419 -1.6015 -1.6015 -1.4539 -1.4539 -1.0508 -1.0508 -0.9214 -0.9214 -0.8156 -0.8156 7.1932 7.1932 7.6199 7.6199 7.6942 7.6942 8.5984 8.5984 8.6868 8.6868 8.7328 8.7328 k = 0.5000-0.0000 0.0514 ( 7510 PWs) bands (ev): -27.0665 -27.0665 -27.0631 -27.0631 -20.5801 -20.5801 -20.5187 -20.5187 -18.8455 -18.8455 -18.8340 -18.8340 -18.7934 -18.7934 -18.6984 -18.6984 -10.7959 -10.7959 -10.7882 -10.7882 -10.5475 -10.5475 -10.5424 -10.5424 -10.5182 -10.5182 -10.5056 -10.5056 -6.9474 -6.9474 -6.9393 -6.9393 -6.6957 -6.6957 -6.3566 -6.3566 -3.6656 -3.6656 -3.6143 -3.6143 -3.5660 -3.5660 -3.0477 -3.0477 -1.8408 -1.8408 -1.8060 -1.8060 -1.7565 -1.7565 -1.6924 -1.6924 -1.6348 -1.6348 -1.5991 -1.5991 -1.4638 -1.4638 -1.0363 -1.0363 -0.9315 -0.9315 -0.8153 -0.8153 7.1798 7.1798 7.6069 7.6069 7.6948 7.6948 8.6274 8.6274 8.6936 8.6936 8.7280 8.7280 k = 0.5000-0.0000 0.0385 ( 7514 PWs) bands (ev): -27.0666 -27.0666 -27.0631 -27.0631 -20.5809 -20.5809 -20.5178 -20.5178 -18.8457 -18.8457 -18.8338 -18.8338 -18.7948 -18.7948 -18.6971 -18.6971 -10.7960 -10.7960 -10.7881 -10.7881 -10.5476 -10.5476 -10.5423 -10.5423 -10.5184 -10.5184 -10.5055 -10.5055 -6.9485 -6.9485 -6.9396 -6.9396 -6.6988 -6.6988 -6.3506 -6.3506 -3.6663 -3.6663 -3.6135 -3.6135 -3.5738 -3.5738 -3.0408 -3.0408 -1.8427 -1.8427 -1.8076 -1.8076 -1.7586 -1.7586 -1.6906 -1.6906 -1.6288 -1.6288 -1.5971 -1.5971 -1.4722 -1.4722 -1.0224 -1.0224 -0.9421 -0.9421 -0.8151 -0.8151 7.1693 7.1693 7.5967 7.5967 7.6951 7.6951 8.6511 8.6511 8.6991 8.6991 8.7242 8.7242 k = 0.5000-0.0000 0.0257 ( 7518 PWs) bands (ev): -27.0666 -27.0666 -27.0631 -27.0631 -20.5815 -20.5815 -20.5172 -20.5172 -18.8458 -18.8458 -18.8337 -18.8337 -18.7958 -18.7958 -18.6962 -18.6962 -10.7961 -10.7961 -10.7880 -10.7880 -10.5476 -10.5476 -10.5422 -10.5422 -10.5186 -10.5186 -10.5054 -10.5054 -6.9493 -6.9493 -6.9399 -6.9399 -6.7010 -6.7010 -6.3462 -6.3462 -3.6667 -3.6667 -3.6130 -3.6130 -3.5795 -3.5795 -3.0359 -3.0359 -1.8440 -1.8440 -1.8087 -1.8087 -1.7602 -1.7602 -1.6893 -1.6893 -1.6240 -1.6240 -1.5957 -1.5957 -1.4786 -1.4786 -1.0093 -1.0093 -0.9527 -0.9527 -0.8150 -0.8150 7.1617 7.1617 7.5894 7.5894 7.6952 7.6952 8.6688 8.6688 8.7031 8.7031 8.7214 8.7214 k = 0.5000-0.0000 0.0128 ( 7508 PWs) bands (ev): -27.0666 -27.0666 -27.0630 -27.0630 -20.5819 -20.5819 -20.5168 -20.5168 -18.8459 -18.8459 -18.8336 -18.8336 -18.7964 -18.7964 -18.6956 -18.6956 -10.7962 -10.7962 -10.7880 -10.7880 -10.5476 -10.5476 -10.5421 -10.5421 -10.5187 -10.5187 -10.5053 -10.5053 -6.9498 -6.9498 -6.9400 -6.9400 -6.7023 -6.7023 -6.3435 -6.3435 -3.6670 -3.6670 -3.6127 -3.6127 -3.5828 -3.5828 -3.0329 -3.0329 -1.8448 -1.8448 -1.8094 -1.8094 -1.7611 -1.7611 -1.6886 -1.6886 -1.6210 -1.6210 -1.5948 -1.5948 -1.4827 -1.4827 -0.9979 -0.9979 -0.9627 -0.9627 -0.8149 -0.8149 7.1571 7.1571 7.5850 7.5850 7.6953 7.6953 8.6798 8.6798 8.7056 8.7056 8.7198 8.7198 k = 0.5000-0.0000-0.0000 ( 7514 PWs) bands (ev): -27.0666 -27.0666 -27.0630 -27.0630 -20.5820 -20.5820 -20.5166 -20.5166 -18.8459 -18.8459 -18.8336 -18.8336 -18.7966 -18.7966 -18.6955 -18.6955 -10.7962 -10.7962 -10.7880 -10.7880 -10.5476 -10.5476 -10.5421 -10.5421 -10.5187 -10.5187 -10.5053 -10.5053 -6.9499 -6.9499 -6.9401 -6.9401 -6.7028 -6.7028 -6.3427 -6.3427 -3.6671 -3.6671 -3.6126 -3.6126 -3.5840 -3.5840 -3.0319 -3.0319 -1.8451 -1.8451 -1.8096 -1.8096 -1.7614 -1.7614 -1.6883 -1.6883 -1.6199 -1.6199 -1.5945 -1.5945 -1.4842 -1.4842 -0.9922 -0.9922 -0.9679 -0.9679 -0.8149 -0.8149 7.1556 7.1556 7.5836 7.5836 7.6952 7.6952 8.6835 8.6835 8.7064 8.7064 8.7192 8.7192 k = 0.5000 0.3939-0.0000 ( 7496 PWs) bands (ev): -27.0657 -27.0657 -27.0627 -27.0627 -20.5757 -20.5757 -20.5159 -20.5159 -18.8476 -18.8476 -18.8351 -18.8351 -18.7968 -18.7968 -18.7018 -18.7018 -10.8131 -10.8131 -10.7865 -10.7865 -10.5658 -10.5658 -10.5472 -10.5472 -10.5335 -10.5335 -10.4927 -10.4927 -7.0348 -7.0348 -6.8592 -6.8592 -6.6490 -6.6490 -6.4112 -6.4112 -3.7415 -3.7415 -3.6113 -3.6113 -3.5819 -3.5819 -3.0260 -3.0260 -1.7982 -1.7982 -1.7531 -1.7531 -1.6805 -1.6805 -1.6212 -1.6212 -1.5787 -1.5787 -1.5654 -1.5654 -1.4481 -1.4481 -1.1634 -1.1634 -1.0942 -1.0942 -0.7075 -0.7075 7.9068 7.9068 8.0220 8.0220 8.3178 8.3178 8.5028 8.5028 8.6960 8.6960 8.9611 8.9611 k = 0.5000 0.3939 0.0128 ( 7500 PWs) bands (ev): -27.0657 -27.0657 -27.0627 -27.0627 -20.5756 -20.5756 -20.5160 -20.5160 -18.8475 -18.8475 -18.8351 -18.8351 -18.7966 -18.7966 -18.7020 -18.7020 -10.8131 -10.8131 -10.7866 -10.7866 -10.5657 -10.5657 -10.5472 -10.5472 -10.5335 -10.5335 -10.4928 -10.4928 -7.0343 -7.0343 -6.8593 -6.8593 -6.6488 -6.6488 -6.4121 -6.4121 -3.7412 -3.7412 -3.6116 -3.6116 -3.5808 -3.5808 -3.0270 -3.0270 -1.7980 -1.7980 -1.7529 -1.7529 -1.6807 -1.6807 -1.6214 -1.6214 -1.5786 -1.5786 -1.5654 -1.5654 -1.4478 -1.4478 -1.1663 -1.1663 -1.0910 -1.0910 -0.7080 -0.7080 7.9050 7.9050 8.0256 8.0256 8.3159 8.3159 8.5040 8.5040 8.6962 8.6962 8.9595 8.9595 k = 0.5000 0.3939 0.0257 ( 7504 PWs) bands (ev): -27.0657 -27.0657 -27.0627 -27.0627 -20.5752 -20.5752 -20.5163 -20.5163 -18.8475 -18.8475 -18.8352 -18.8352 -18.7961 -18.7961 -18.7025 -18.7025 -10.8129 -10.8129 -10.7867 -10.7867 -10.5656 -10.5656 -10.5472 -10.5472 -10.5334 -10.5334 -10.4931 -10.4931 -7.0327 -7.0327 -6.8597 -6.8597 -6.6484 -6.6484 -6.4145 -6.4145 -3.7406 -3.7406 -3.6124 -3.6124 -3.5773 -3.5773 -3.0300 -3.0300 -1.7973 -1.7973 -1.7521 -1.7521 -1.6813 -1.6813 -1.6220 -1.6220 -1.5786 -1.5786 -1.5654 -1.5654 -1.4469 -1.4469 -1.1741 -1.1741 -1.0826 -1.0826 -0.7094 -0.7094 7.9006 7.9006 8.0360 8.0360 8.3102 8.3102 8.5077 8.5077 8.6969 8.6969 8.9549 8.9549 k = 0.5000 0.3939 0.0385 ( 7520 PWs) bands (ev): -27.0657 -27.0657 -27.0628 -27.0628 -20.5747 -20.5747 -20.5169 -20.5169 -18.8474 -18.8474 -18.8353 -18.8353 -18.7952 -18.7952 -18.7034 -18.7034 -10.8126 -10.8126 -10.7869 -10.7869 -10.5653 -10.5653 -10.5472 -10.5472 -10.5333 -10.5333 -10.4936 -10.4936 -7.0301 -7.0301 -6.8603 -6.8603 -6.6476 -6.6476 -6.4185 -6.4185 -3.7394 -3.7394 -3.6137 -3.6137 -3.5715 -3.5715 -3.0349 -3.0349 -1.7962 -1.7962 -1.7507 -1.7507 -1.6823 -1.6823 -1.6229 -1.6229 -1.5784 -1.5784 -1.5655 -1.5655 -1.4454 -1.4454 -1.1845 -1.1845 -1.0712 -1.0712 -0.7118 -0.7118 7.8948 7.8948 8.0516 8.0516 8.3009 8.3009 8.5137 8.5137 8.6981 8.6981 8.9472 8.9472 k = 0.5000 0.3939 0.0514 ( 7512 PWs) bands (ev): -27.0657 -27.0657 -27.0628 -27.0628 -20.5740 -20.5740 -20.5177 -20.5177 -18.8472 -18.8472 -18.8355 -18.8355 -18.7939 -18.7939 -18.7046 -18.7046 -10.8122 -10.8122 -10.7872 -10.7872 -10.5649 -10.5649 -10.5472 -10.5472 -10.5331 -10.5331 -10.4942 -10.4942 -7.0265 -7.0265 -6.8612 -6.8612 -6.6466 -6.6466 -6.4240 -6.4240 -3.7378 -3.7378 -3.6155 -3.6155 -3.5635 -3.5635 -3.0418 -3.0418 -1.7948 -1.7948 -1.7489 -1.7489 -1.6837 -1.6837 -1.6243 -1.6243 -1.5782 -1.5782 -1.5656 -1.5656 -1.4434 -1.4434 -1.1961 -1.1961 -1.0580 -1.0580 -0.7152 -0.7152 7.8889 7.8889 8.0712 8.0712 8.2882 8.2882 8.5220 8.5220 8.6997 8.6997 8.9363 8.9363 k = 0.5000 0.3939 0.0642 ( 7508 PWs) bands (ev): -27.0656 -27.0656 -27.0629 -27.0629 -20.5730 -20.5730 -20.5188 -20.5188 -18.8470 -18.8470 -18.8357 -18.8357 -18.7923 -18.7923 -18.7062 -18.7062 -10.8117 -10.8117 -10.7876 -10.7876 -10.5644 -10.5644 -10.5473 -10.5473 -10.5328 -10.5328 -10.4951 -10.4951 -7.0219 -7.0219 -6.8623 -6.8623 -6.6452 -6.6452 -6.4309 -6.4309 -3.7358 -3.7358 -3.6178 -3.6178 -3.5533 -3.5533 -3.0505 -3.0505 -1.7929 -1.7929 -1.7466 -1.7466 -1.6854 -1.6854 -1.6260 -1.6260 -1.5779 -1.5779 -1.5658 -1.5658 -1.4407 -1.4407 -1.2084 -1.2084 -1.0439 -1.0439 -0.7194 -0.7194 7.8837 7.8837 8.0939 8.0939 8.2726 8.2726 8.5326 8.5326 8.7018 8.7018 8.9223 8.9223 k = 0.5000 0.3939 0.0771 ( 7500 PWs) bands (ev): -27.0655 -27.0655 -27.0629 -27.0629 -20.5718 -20.5718 -20.5200 -20.5200 -18.8467 -18.8467 -18.8359 -18.8359 -18.7903 -18.7903 -18.7080 -18.7080 -10.8111 -10.8111 -10.7881 -10.7881 -10.5639 -10.5639 -10.5474 -10.5474 -10.5324 -10.5324 -10.4961 -10.4961 -7.0164 -7.0164 -6.8638 -6.8638 -6.6434 -6.6434 -6.4391 -6.4391 -3.7333 -3.7333 -3.6206 -3.6206 -3.5411 -3.5411 -3.0611 -3.0611 -1.7906 -1.7906 -1.7439 -1.7439 -1.6874 -1.6874 -1.6281 -1.6281 -1.5776 -1.5776 -1.5660 -1.5660 -1.4374 -1.4374 -1.2208 -1.2208 -1.0292 -1.0292 -0.7246 -0.7246 7.8798 7.8798 8.1191 8.1191 8.2544 8.2544 8.5453 8.5453 8.7044 8.7044 8.9052 8.9052 k = 0.5000 0.3939 0.0899 ( 7508 PWs) bands (ev): -27.0655 -27.0655 -27.0630 -27.0630 -20.5705 -20.5705 -20.5215 -20.5215 -18.8465 -18.8465 -18.8362 -18.8362 -18.7880 -18.7880 -18.7102 -18.7102 -10.8104 -10.8104 -10.7886 -10.7886 -10.5633 -10.5633 -10.5476 -10.5476 -10.5318 -10.5318 -10.4973 -10.4973 -7.0101 -7.0101 -6.8656 -6.8656 -6.6412 -6.6412 -6.4484 -6.4484 -3.7304 -3.7304 -3.6239 -3.6239 -3.5269 -3.5269 -3.0734 -3.0734 -1.7880 -1.7880 -1.7409 -1.7409 -1.6897 -1.6897 -1.6306 -1.6306 -1.5773 -1.5773 -1.5663 -1.5663 -1.4336 -1.4336 -1.2333 -1.2333 -1.0142 -1.0142 -0.7307 -0.7307 7.8774 7.8774 8.1464 8.1464 8.2340 8.2340 8.5600 8.5600 8.7075 8.7075 8.8851 8.8851 k = 0.5000 0.3939 0.1028 ( 7520 PWs) bands (ev): -27.0654 -27.0654 -27.0631 -27.0631 -20.5690 -20.5690 -20.5232 -20.5232 -18.8461 -18.8461 -18.8365 -18.8365 -18.7855 -18.7855 -18.7127 -18.7127 -10.8096 -10.8096 -10.7892 -10.7892 -10.5626 -10.5626 -10.5478 -10.5478 -10.5312 -10.5312 -10.4986 -10.4986 -7.0031 -7.0031 -6.8677 -6.8677 -6.6386 -6.6386 -6.4588 -6.4588 -3.7272 -3.7272 -3.6275 -3.6275 -3.5110 -3.5110 -3.0873 -3.0873 -1.7850 -1.7850 -1.7376 -1.7376 -1.6921 -1.6921 -1.6334 -1.6334 -1.5769 -1.5769 -1.5665 -1.5665 -1.4292 -1.4292 -1.2458 -1.2458 -0.9988 -0.9988 -0.7377 -0.7377 7.8769 7.8769 8.1756 8.1756 8.2119 8.2119 8.5765 8.5765 8.7110 8.7110 8.8621 8.8621 k = 0.5000 0.3939 0.1156 ( 7512 PWs) bands (ev): -27.0653 -27.0653 -27.0631 -27.0631 -20.5673 -20.5673 -20.5250 -20.5250 -18.8458 -18.8458 -18.8369 -18.8369 -18.7826 -18.7826 -18.7154 -18.7154 -10.8088 -10.8088 -10.7899 -10.7899 -10.5618 -10.5618 -10.5481 -10.5481 -10.5304 -10.5304 -10.5001 -10.5001 -6.9954 -6.9954 -6.8703 -6.8703 -6.6355 -6.6355 -6.4699 -6.4699 -3.7235 -3.7235 -3.6316 -3.6316 -3.4935 -3.4935 -3.1028 -3.1028 -1.7818 -1.7818 -1.7343 -1.7343 -1.6945 -1.6945 -1.6366 -1.6366 -1.5764 -1.5764 -1.5669 -1.5669 -1.4242 -1.4242 -1.2580 -1.2580 -0.9833 -0.9833 -0.7455 -0.7455 7.8783 7.8783 8.1885 8.1885 8.2063 8.2063 8.5945 8.5945 8.7149 8.7149 8.8365 8.8365 k = 0.5000 0.3939 0.1285 ( 7504 PWs) bands (ev): -27.0652 -27.0652 -27.0632 -27.0632 -20.5654 -20.5654 -20.5270 -20.5270 -18.8454 -18.8454 -18.8373 -18.8373 -18.7795 -18.7795 -18.7184 -18.7184 -10.8078 -10.8078 -10.7907 -10.7907 -10.5610 -10.5610 -10.5485 -10.5485 -10.5294 -10.5294 -10.5017 -10.5017 -6.9871 -6.9871 -6.8733 -6.8733 -6.6318 -6.6318 -6.4817 -6.4817 -3.7195 -3.7195 -3.6360 -3.6360 -3.4745 -3.4745 -3.1198 -3.1198 -1.7783 -1.7783 -1.7312 -1.7312 -1.6966 -1.6966 -1.6401 -1.6401 -1.5759 -1.5759 -1.5672 -1.5672 -1.4187 -1.4187 -1.2701 -1.2701 -0.9678 -0.9678 -0.7541 -0.7541 7.8816 7.8816 8.1643 8.1643 8.2386 8.2386 8.6137 8.6137 8.7192 8.7192 8.8084 8.8084 k = 0.5000 0.3939 0.1413 ( 7516 PWs) bands (ev): -27.0651 -27.0651 -27.0634 -27.0634 -20.5634 -20.5634 -20.5291 -20.5291 -18.8449 -18.8449 -18.8377 -18.8377 -18.7761 -18.7761 -18.7217 -18.7217 -10.8068 -10.8068 -10.7915 -10.7915 -10.5601 -10.5601 -10.5490 -10.5490 -10.5283 -10.5283 -10.5034 -10.5034 -6.9785 -6.9785 -6.8767 -6.8767 -6.6275 -6.6275 -6.4939 -6.4939 -3.7152 -3.7152 -3.6407 -3.6407 -3.4543 -3.4543 -3.1380 -3.1380 -1.7745 -1.7745 -1.7286 -1.7286 -1.6981 -1.6981 -1.6439 -1.6439 -1.5754 -1.5754 -1.5676 -1.5676 -1.4126 -1.4126 -1.2820 -1.2820 -0.9522 -0.9522 -0.7635 -0.7635 7.8869 7.8869 8.1396 8.1396 8.2721 8.2721 8.6336 8.6336 8.7237 8.7237 8.7782 8.7782 k = 0.5000 0.3939 0.1542 ( 7524 PWs) bands (ev): -27.0650 -27.0650 -27.0635 -27.0635 -20.5613 -20.5613 -20.5314 -20.5314 -18.8445 -18.8445 -18.8382 -18.8382 -18.7726 -18.7726 -18.7251 -18.7251 -10.8058 -10.8058 -10.7924 -10.7924 -10.5593 -10.5593 -10.5495 -10.5495 -10.5270 -10.5270 -10.5052 -10.5052 -6.9695 -6.9695 -6.8807 -6.8807 -6.6226 -6.6226 -6.5064 -6.5064 -3.7106 -3.7106 -3.6456 -3.6456 -3.4330 -3.4330 -3.1575 -3.1575 -1.7705 -1.7705 -1.7273 -1.7273 -1.6985 -1.6985 -1.6480 -1.6480 -1.5749 -1.5749 -1.5681 -1.5681 -1.4061 -1.4061 -1.2936 -1.2936 -0.9367 -0.9367 -0.7736 -0.7736 7.8943 7.8943 8.1147 8.1147 8.3067 8.3067 8.6537 8.6537 8.7281 8.7281 8.7462 8.7462 k = 0.5000 0.3939 0.1670 ( 7524 PWs) bands (ev): -27.0649 -27.0649 -27.0636 -27.0636 -20.5590 -20.5590 -20.5337 -20.5337 -18.8440 -18.8440 -18.8387 -18.8387 -18.7689 -18.7689 -18.7288 -18.7288 -10.8047 -10.8047 -10.7934 -10.7934 -10.5584 -10.5584 -10.5501 -10.5501 -10.5256 -10.5256 -10.5070 -10.5070 -6.9604 -6.9604 -6.8853 -6.8853 -6.6169 -6.6169 -6.5190 -6.5190 -3.7058 -3.7058 -3.6508 -3.6508 -3.4107 -3.4107 -3.1781 -3.1781 -1.7663 -1.7663 -1.7275 -1.7275 -1.6973 -1.6973 -1.6523 -1.6523 -1.5743 -1.5743 -1.5685 -1.5685 -1.3990 -1.3990 -1.3049 -1.3049 -0.9212 -0.9212 -0.7844 -0.7844 7.9037 7.9037 8.0900 8.0900 8.3423 8.3423 8.6732 8.6732 8.7121 8.7121 8.7330 8.7330 k = 0.5000 0.3939 0.1799 ( 7520 PWs) bands (ev): -27.0648 -27.0648 -27.0637 -27.0637 -20.5566 -20.5566 -20.5362 -20.5362 -18.8435 -18.8435 -18.8392 -18.8392 -18.7650 -18.7650 -18.7325 -18.7325 -10.8035 -10.8035 -10.7944 -10.7944 -10.5575 -10.5575 -10.5508 -10.5508 -10.5240 -10.5240 -10.5090 -10.5090 -6.9513 -6.9513 -6.8904 -6.8904 -6.6105 -6.6105 -6.5314 -6.5314 -3.7007 -3.7007 -3.6562 -3.6562 -3.3878 -3.3878 -3.1997 -3.1997 -1.7620 -1.7620 -1.7293 -1.7293 -1.6946 -1.6946 -1.6568 -1.6568 -1.5737 -1.5737 -1.5690 -1.5690 -1.3914 -1.3914 -1.3159 -1.3159 -0.9060 -0.9060 -0.7959 -0.7959 7.9150 7.9150 8.0658 8.0658 8.3787 8.3787 8.6770 8.6770 8.6916 8.6916 8.7367 8.7367 k = 0.5000 0.3939 0.1927 ( 7508 PWs) bands (ev): -27.0646 -27.0646 -27.0638 -27.0638 -20.5542 -20.5542 -20.5387 -20.5387 -18.8430 -18.8430 -18.8397 -18.8397 -18.7610 -18.7610 -18.7365 -18.7365 -10.8024 -10.8024 -10.7955 -10.7955 -10.5566 -10.5566 -10.5515 -10.5515 -10.5224 -10.5224 -10.5109 -10.5109 -6.9422 -6.9422 -6.8962 -6.8962 -6.6033 -6.6033 -6.5435 -6.5435 -3.6954 -3.6954 -3.6617 -3.6617 -3.3643 -3.3643 -3.2220 -3.2220 -1.7576 -1.7576 -1.7321 -1.7321 -1.6909 -1.6909 -1.6616 -1.6616 -1.5731 -1.5731 -1.5696 -1.5696 -1.3834 -1.3834 -1.3267 -1.3267 -0.8909 -0.8909 -0.8080 -0.8080 7.9282 7.9282 8.0424 8.0424 8.4157 8.4157 8.6410 8.6410 8.7077 8.7077 8.7397 8.7397 k = 0.5000 0.3939 0.2056 ( 7508 PWs) bands (ev): -27.0645 -27.0645 -27.0640 -27.0640 -20.5517 -20.5517 -20.5413 -20.5413 -18.8424 -18.8424 -18.8402 -18.8402 -18.7570 -18.7570 -18.7405 -18.7405 -10.8012 -10.8012 -10.7966 -10.7966 -10.5557 -10.5557 -10.5523 -10.5523 -10.5206 -10.5206 -10.5129 -10.5129 -6.9334 -6.9334 -6.9025 -6.9025 -6.5953 -6.5953 -6.5552 -6.5552 -3.6899 -3.6899 -3.6674 -3.6674 -3.3404 -3.3404 -3.2450 -3.2450 -1.7531 -1.7531 -1.7358 -1.7358 -1.6864 -1.6864 -1.6665 -1.6665 -1.5725 -1.5725 -1.5701 -1.5701 -1.3750 -1.3750 -1.3371 -1.3371 -0.8761 -0.8761 -0.8207 -0.8207 7.9433 7.9433 8.0199 8.0199 8.4532 8.4532 8.6041 8.6041 8.7209 8.7209 8.7412 8.7412 k = 0.5000 0.3939 0.2184 ( 7500 PWs) bands (ev): -27.0644 -27.0644 -27.0641 -27.0641 -20.5491 -20.5491 -20.5439 -20.5439 -18.8419 -18.8419 -18.8408 -18.8408 -18.7528 -18.7528 -18.7446 -18.7446 -10.8000 -10.8000 -10.7977 -10.7977 -10.5548 -10.5548 -10.5531 -10.5531 -10.5187 -10.5187 -10.5149 -10.5149 -6.9250 -6.9250 -6.9094 -6.9094 -6.5864 -6.5864 -6.5663 -6.5663 -3.6843 -3.6843 -3.6730 -3.6730 -3.3164 -3.3164 -3.2685 -3.2685 -1.7486 -1.7486 -1.7398 -1.7398 -1.6816 -1.6816 -1.6715 -1.6715 -1.5719 -1.5719 -1.5707 -1.5707 -1.3661 -1.3661 -1.3471 -1.3471 -0.8617 -0.8617 -0.8339 -0.8339 7.9601 7.9601 7.9986 7.9986 8.4910 8.4910 8.5666 8.5666 8.7309 8.7309 8.7407 8.7407 k = 0.5000 0.3939 0.2313 ( 7480 PWs) bands (ev): -27.0642 -27.0642 -27.0642 -27.0642 -20.5465 -20.5465 -20.5465 -20.5465 -18.8413 -18.8413 -18.8413 -18.8413 -18.7487 -18.7487 -18.7487 -18.7487 -10.7988 -10.7988 -10.7988 -10.7988 -10.5539 -10.5539 -10.5539 -10.5539 -10.5168 -10.5168 -10.5168 -10.5168 -6.9169 -6.9169 -6.9169 -6.9169 -6.5767 -6.5767 -6.5767 -6.5767 -3.6787 -3.6787 -3.6787 -3.6787 -3.2924 -3.2924 -3.2924 -3.2924 -1.7441 -1.7441 -1.7441 -1.7441 -1.6766 -1.6766 -1.6766 -1.6766 -1.5713 -1.5713 -1.5713 -1.5713 -1.3568 -1.3568 -1.3568 -1.3568 -0.8476 -0.8476 -0.8476 -0.8476 7.9786 7.9786 7.9786 7.9786 8.5289 8.5289 8.5289 8.5289 8.7374 8.7374 8.7374 8.7374 Writing output data file KH4O2F.save init_run : 1.06s CPU 0.66s WALL ( 1 calls) electrons : 622.05s CPU 497.39s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.11s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 622.04s CPU 497.37s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.21s CPU 0.14s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.65s CPU 0.81s WALL ( 364 calls) cegterg : 539.23s CPU 447.11s WALL ( 650 calls) Called by sum_band: Called by *egterg: h_psi : 356.19s CPU 249.00s WALL ( 9329 calls) s_psi : 18.88s CPU 14.35s WALL ( 9329 calls) g_psi : 0.88s CPU 0.75s WALL ( 8315 calls) cdiaghg : 157.53s CPU 153.15s WALL ( 8679 calls) cegterg:over : 26.55s CPU 24.59s WALL ( 8315 calls) cegterg:upda : 25.33s CPU 23.74s WALL ( 8315 calls) cegterg:last : 10.33s CPU 10.50s WALL ( 1510 calls) cdiaghg:chol : 9.17s CPU 8.98s WALL ( 8679 calls) cdiaghg:inve : 6.49s CPU 6.49s WALL ( 8679 calls) cdiaghg:para : 11.77s CPU 11.66s WALL ( 17358 calls) Called by h_psi: h_psi:vloc : 314.27s CPU 216.29s WALL ( 9329 calls) h_psi:vnl : 40.78s CPU 31.81s WALL ( 9329 calls) add_vuspsi : 20.88s CPU 15.92s WALL ( 9329 calls) General routines calbec : 19.84s CPU 15.85s WALL ( 9329 calls) fft : 0.04s CPU 0.02s WALL ( 19 calls) ffts : 0.01s CPU 0.01s WALL ( 4 calls) fftw : 297.94s CPU 203.50s WALL ( 1418048 calls) interpolate : 0.02s CPU 0.01s WALL ( 4 calls) davcio : 0.70s CPU 2.76s WALL ( 728 calls) Parallel routines fft_scatter : 105.71s CPU 83.35s WALL ( 1418071 calls) PWSCF : 10m59.40s CPU 9m10.98s WALL This run was terminated on: 3:59: 6 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=