Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:27:55 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), running on 36 processors 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: ./TlF.save/ file Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D 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 k-point group (pool) 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 36 22 6 1561 768 124 Max 38 23 7 1566 807 133 Sum 1305 805 241 56313 28241 4653 bravais-lattice index = 14 lattice parameter (alat) = 7.1485 a.u. unit-cell volume = 591.2933 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 317.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.148512 celldm(2)= 1.000000 celldm(3)= 1.618661 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 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.618661 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 0.617795 ) PseudoPot. # 1 for Tl read from file: /users/gautes/Pseudo/Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: cd969aa200d2b9b89aab382fbbb9d684 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1281 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. # 2 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 Tl 13.00 204.38330 Tl( 1.00) F 7.00 18.99840 F( 1.00) 4 Sym. Ops., with inversion, found (note: 12 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) 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 [1,1,0] cryst. s( 2) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 2) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s( 4) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [1,1,0] -C2 -2 180 deg rotation - cart. axis [1,1,0] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [1,1,0] -s_h -4 inv. 180 deg rotation - cart. axis [1,1,0] E Cartesian axes number of k points= 373 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026810 k( 2) = ( 0.0000000 0.0119048 -0.0000000), wk = 0.0026810 k( 3) = ( 0.0000000 0.0238095 -0.0000000), wk = 0.0026810 k( 4) = ( 0.0000000 0.0357143 -0.0000000), wk = 0.0026810 k( 5) = ( 0.0000000 0.0476191 -0.0000000), wk = 0.0026810 k( 6) = ( 0.0000000 0.0595238 -0.0000000), wk = 0.0026810 k( 7) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0026810 k( 8) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0026810 k( 9) = ( 0.0000000 0.0952381 -0.0000000), wk = 0.0026810 k( 10) = ( 0.0000000 0.1071429 -0.0000000), wk = 0.0026810 k( 11) = ( 0.0000000 0.1190476 -0.0000000), wk = 0.0026810 k( 12) = ( 0.0000000 0.1309524 -0.0000000), wk = 0.0026810 k( 13) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0026810 k( 14) = ( 0.0000000 0.1547619 -0.0000000), wk = 0.0026810 k( 15) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0026810 k( 16) = ( 0.0000000 0.1785714 -0.0000000), wk = 0.0026810 k( 17) = ( 0.0000000 0.1904762 -0.0000000), wk = 0.0026810 k( 18) = ( 0.0000000 0.2023810 -0.0000000), wk = 0.0026810 k( 19) = ( 0.0000000 0.2142857 -0.0000000), wk = 0.0026810 k( 20) = ( 0.0000000 0.2261905 -0.0000000), wk = 0.0026810 k( 21) = ( 0.0000000 0.2380952 -0.0000000), wk = 0.0026810 k( 22) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0026810 k( 23) = ( 0.0000000 0.2619048 -0.0000000), wk = 0.0026810 k( 24) = ( 0.0000000 0.2738095 -0.0000000), wk = 0.0026810 k( 25) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0026810 k( 26) = ( 0.0000000 0.2976190 -0.0000000), wk = 0.0026810 k( 27) = ( 0.0000000 0.3095238 -0.0000000), wk = 0.0026810 k( 28) = ( 0.0000000 0.3214286 -0.0000000), wk = 0.0026810 k( 29) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0026810 k( 30) = ( 0.0000000 0.3452381 -0.0000000), wk = 0.0026810 k( 31) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0026810 k( 32) = ( 0.0000000 0.3690476 -0.0000000), wk = 0.0026810 k( 33) = ( 0.0000000 0.3809524 -0.0000000), wk = 0.0026810 k( 34) = ( 0.0000000 0.3928571 -0.0000000), wk = 0.0026810 k( 35) = ( 0.0000000 0.4047619 -0.0000000), wk = 0.0026810 k( 36) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0026810 k( 37) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0026810 k( 38) = ( 0.0000000 0.4404762 -0.0000000), wk = 0.0026810 k( 39) = ( 0.0000000 0.4523810 -0.0000000), wk = 0.0026810 k( 40) = ( 0.0000000 0.4642857 -0.0000000), wk = 0.0026810 k( 41) = ( 0.0000000 0.4761905 -0.0000000), wk = 0.0026810 k( 42) = ( 0.0000000 0.4880952 -0.0000000), wk = 0.0026810 k( 43) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026810 k( 44) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026810 k( 45) = ( 0.0119048 0.5000000 -0.0000000), wk = 0.0026810 k( 46) = ( 0.0238095 0.5000000 -0.0000000), wk = 0.0026810 k( 47) = ( 0.0357143 0.5000000 -0.0000000), wk = 0.0026810 k( 48) = ( 0.0476191 0.5000000 -0.0000000), wk = 0.0026810 k( 49) = ( 0.0595238 0.5000000 -0.0000000), wk = 0.0026810 k( 50) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0026810 k( 51) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0026810 k( 52) = ( 0.0952381 0.5000000 -0.0000000), wk = 0.0026810 k( 53) = ( 0.1071429 0.5000000 -0.0000000), wk = 0.0026810 k( 54) = ( 0.1190476 0.5000000 -0.0000000), wk = 0.0026810 k( 55) = ( 0.1309524 0.5000000 -0.0000000), wk = 0.0026810 k( 56) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0026810 k( 57) = ( 0.1547619 0.5000000 -0.0000000), wk = 0.0026810 k( 58) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0026810 k( 59) = ( 0.1785714 0.5000000 -0.0000000), wk = 0.0026810 k( 60) = ( 0.1904762 0.5000000 -0.0000000), wk = 0.0026810 k( 61) = ( 0.2023810 0.5000000 -0.0000000), wk = 0.0026810 k( 62) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0026810 k( 63) = ( 0.2261905 0.5000000 -0.0000000), wk = 0.0026810 k( 64) = ( 0.2380952 0.5000000 -0.0000000), wk = 0.0026810 k( 65) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0026810 k( 66) = ( 0.2619048 0.5000000 -0.0000000), wk = 0.0026810 k( 67) = ( 0.2738095 0.5000000 -0.0000000), wk = 0.0026810 k( 68) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0026810 k( 69) = ( 0.2976190 0.5000000 -0.0000000), wk = 0.0026810 k( 70) = ( 0.3095238 0.5000000 -0.0000000), wk = 0.0026810 k( 71) = ( 0.3214286 0.5000000 -0.0000000), wk = 0.0026810 k( 72) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0026810 k( 73) = ( 0.3452381 0.5000000 -0.0000000), wk = 0.0026810 k( 74) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0026810 k( 75) = ( 0.3690476 0.5000000 -0.0000000), wk = 0.0026810 k( 76) = ( 0.3809524 0.5000000 -0.0000000), wk = 0.0026810 k( 77) = ( 0.3928571 0.5000000 -0.0000000), wk = 0.0026810 k( 78) = ( 0.4047619 0.5000000 -0.0000000), wk = 0.0026810 k( 79) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0026810 k( 80) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0026810 k( 81) = ( 0.4404762 0.5000000 -0.0000000), wk = 0.0026810 k( 82) = ( 0.4523810 0.5000000 -0.0000000), wk = 0.0026810 k( 83) = ( 0.4642857 0.5000000 -0.0000000), wk = 0.0026810 k( 84) = ( 0.4761905 0.5000000 -0.0000000), wk = 0.0026810 k( 85) = ( 0.4880952 0.5000000 -0.0000000), wk = 0.0026810 k( 86) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026810 k( 87) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026810 k( 88) = ( 0.4915254 0.4915254 -0.0000000), wk = 0.0026810 k( 89) = ( 0.4830508 0.4830508 -0.0000000), wk = 0.0026810 k( 90) = ( 0.4745763 0.4745763 -0.0000000), wk = 0.0026810 k( 91) = ( 0.4661017 0.4661017 -0.0000000), wk = 0.0026810 k( 92) = ( 0.4576271 0.4576271 -0.0000000), wk = 0.0026810 k( 93) = ( 0.4491525 0.4491525 -0.0000000), wk = 0.0026810 k( 94) = ( 0.4406780 0.4406780 -0.0000000), wk = 0.0026810 k( 95) = ( 0.4322034 0.4322034 -0.0000000), wk = 0.0026810 k( 96) = ( 0.4237288 0.4237288 -0.0000000), wk = 0.0026810 k( 97) = ( 0.4152542 0.4152542 -0.0000000), wk = 0.0026810 k( 98) = ( 0.4067797 0.4067797 -0.0000000), wk = 0.0026810 k( 99) = ( 0.3983051 0.3983051 -0.0000000), wk = 0.0026810 k( 100) = ( 0.3898305 0.3898305 -0.0000000), wk = 0.0026810 k( 101) = ( 0.3813559 0.3813559 -0.0000000), wk = 0.0026810 k( 102) = ( 0.3728814 0.3728814 -0.0000000), wk = 0.0026810 k( 103) = ( 0.3644068 0.3644068 -0.0000000), wk = 0.0026810 k( 104) = ( 0.3559322 0.3559322 -0.0000000), wk = 0.0026810 k( 105) = ( 0.3474576 0.3474576 -0.0000000), wk = 0.0026810 k( 106) = ( 0.3389831 0.3389830 -0.0000000), wk = 0.0026810 k( 107) = ( 0.3305085 0.3305085 -0.0000000), wk = 0.0026810 k( 108) = ( 0.3220339 0.3220339 -0.0000000), wk = 0.0026810 k( 109) = ( 0.3135593 0.3135593 -0.0000000), wk = 0.0026810 k( 110) = ( 0.3050848 0.3050847 -0.0000000), wk = 0.0026810 k( 111) = ( 0.2966102 0.2966102 -0.0000000), wk = 0.0026810 k( 112) = ( 0.2881356 0.2881356 -0.0000000), wk = 0.0026810 k( 113) = ( 0.2796610 0.2796610 -0.0000000), wk = 0.0026810 k( 114) = ( 0.2711864 0.2711864 -0.0000000), wk = 0.0026810 k( 115) = ( 0.2627119 0.2627119 -0.0000000), wk = 0.0026810 k( 116) = ( 0.2542373 0.2542373 -0.0000000), wk = 0.0026810 k( 117) = ( 0.2457627 0.2457627 -0.0000000), wk = 0.0026810 k( 118) = ( 0.2372881 0.2372881 -0.0000000), wk = 0.0026810 k( 119) = ( 0.2288136 0.2288136 -0.0000000), wk = 0.0026810 k( 120) = ( 0.2203390 0.2203390 -0.0000000), wk = 0.0026810 k( 121) = ( 0.2118644 0.2118644 -0.0000000), wk = 0.0026810 k( 122) = ( 0.2033898 0.2033898 -0.0000000), wk = 0.0026810 k( 123) = ( 0.1949153 0.1949152 -0.0000000), wk = 0.0026810 k( 124) = ( 0.1864407 0.1864407 -0.0000000), wk = 0.0026810 k( 125) = ( 0.1779661 0.1779661 -0.0000000), wk = 0.0026810 k( 126) = ( 0.1694915 0.1694915 -0.0000000), wk = 0.0026810 k( 127) = ( 0.1610169 0.1610169 -0.0000000), wk = 0.0026810 k( 128) = ( 0.1525424 0.1525424 -0.0000000), wk = 0.0026810 k( 129) = ( 0.1440678 0.1440678 -0.0000000), wk = 0.0026810 k( 130) = ( 0.1355932 0.1355932 -0.0000000), wk = 0.0026810 k( 131) = ( 0.1271186 0.1271186 -0.0000000), wk = 0.0026810 k( 132) = ( 0.1186441 0.1186441 -0.0000000), wk = 0.0026810 k( 133) = ( 0.1101695 0.1101695 -0.0000000), wk = 0.0026810 k( 134) = ( 0.1016949 0.1016949 -0.0000000), wk = 0.0026810 k( 135) = ( 0.0932203 0.0932203 -0.0000000), wk = 0.0026810 k( 136) = ( 0.0847458 0.0847458 -0.0000000), wk = 0.0026810 k( 137) = ( 0.0762712 0.0762712 -0.0000000), wk = 0.0026810 k( 138) = ( 0.0677966 0.0677966 -0.0000000), wk = 0.0026810 k( 139) = ( 0.0593220 0.0593220 -0.0000000), wk = 0.0026810 k( 140) = ( 0.0508475 0.0508475 -0.0000000), wk = 0.0026810 k( 141) = ( 0.0423729 0.0423729 -0.0000000), wk = 0.0026810 k( 142) = ( 0.0338983 0.0338983 -0.0000000), wk = 0.0026810 k( 143) = ( 0.0254237 0.0254237 -0.0000000), wk = 0.0026810 k( 144) = ( 0.0169491 0.0169491 -0.0000000), wk = 0.0026810 k( 145) = ( 0.0084746 0.0084746 -0.0000000), wk = 0.0026810 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026810 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026810 k( 148) = ( 0.0000000 0.0000000 0.0118807), wk = 0.0026810 k( 149) = ( 0.0000000 0.0000000 0.0237613), wk = 0.0026810 k( 150) = ( 0.0000000 0.0000000 0.0356420), wk = 0.0026810 k( 151) = ( 0.0000000 0.0000000 0.0475227), wk = 0.0026810 k( 152) = ( 0.0000000 0.0000000 0.0594033), wk = 0.0026810 k( 153) = ( 0.0000000 0.0000000 0.0712840), wk = 0.0026810 k( 154) = ( 0.0000000 0.0000000 0.0831646), wk = 0.0026810 k( 155) = ( 0.0000000 0.0000000 0.0950453), wk = 0.0026810 k( 156) = ( 0.0000000 0.0000000 0.1069260), wk = 0.0026810 k( 157) = ( 0.0000000 0.0000000 0.1188066), wk = 0.0026810 k( 158) = ( 0.0000000 0.0000000 0.1306873), wk = 0.0026810 k( 159) = ( 0.0000000 0.0000000 0.1425680), wk = 0.0026810 k( 160) = ( 0.0000000 0.0000000 0.1544486), wk = 0.0026810 k( 161) = ( 0.0000000 0.0000000 0.1663293), wk = 0.0026810 k( 162) = ( 0.0000000 0.0000000 0.1782100), wk = 0.0026810 k( 163) = ( 0.0000000 0.0000000 0.1900906), wk = 0.0026810 k( 164) = ( 0.0000000 0.0000000 0.2019713), wk = 0.0026810 k( 165) = ( 0.0000000 0.0000000 0.2138520), wk = 0.0026810 k( 166) = ( 0.0000000 0.0000000 0.2257326), wk = 0.0026810 k( 167) = ( 0.0000000 0.0000000 0.2376133), wk = 0.0026810 k( 168) = ( 0.0000000 0.0000000 0.2494939), wk = 0.0026810 k( 169) = ( 0.0000000 0.0000000 0.2613746), wk = 0.0026810 k( 170) = ( 0.0000000 0.0000000 0.2732553), wk = 0.0026810 k( 171) = ( 0.0000000 0.0000000 0.2851359), wk = 0.0026810 k( 172) = ( 0.0000000 0.0000000 0.2970166), wk = 0.0026810 k( 173) = ( 0.0000000 0.0000000 0.3088973), wk = 0.0026810 k( 174) = ( 0.0000000 0.0000000 0.3088973), wk = 0.0026810 k( 175) = ( 0.0000000 0.0119048 0.3088973), wk = 0.0026810 k( 176) = ( 0.0000000 0.0238095 0.3088973), wk = 0.0026810 k( 177) = ( 0.0000000 0.0357143 0.3088973), wk = 0.0026810 k( 178) = ( 0.0000000 0.0476191 0.3088973), wk = 0.0026810 k( 179) = ( 0.0000000 0.0595238 0.3088973), wk = 0.0026810 k( 180) = ( 0.0000000 0.0714286 0.3088973), wk = 0.0026810 k( 181) = ( 0.0000000 0.0833333 0.3088973), wk = 0.0026810 k( 182) = ( 0.0000000 0.0952381 0.3088973), wk = 0.0026810 k( 183) = ( 0.0000000 0.1071429 0.3088973), wk = 0.0026810 k( 184) = ( 0.0000000 0.1190476 0.3088973), wk = 0.0026810 k( 185) = ( 0.0000000 0.1309524 0.3088973), wk = 0.0026810 k( 186) = ( 0.0000000 0.1428571 0.3088973), wk = 0.0026810 k( 187) = ( 0.0000000 0.1547619 0.3088973), wk = 0.0026810 k( 188) = ( 0.0000000 0.1666667 0.3088973), wk = 0.0026810 k( 189) = ( 0.0000000 0.1785714 0.3088973), wk = 0.0026810 k( 190) = ( 0.0000000 0.1904762 0.3088973), wk = 0.0026810 k( 191) = ( 0.0000000 0.2023810 0.3088973), wk = 0.0026810 k( 192) = ( 0.0000000 0.2142857 0.3088973), wk = 0.0026810 k( 193) = ( 0.0000000 0.2261905 0.3088973), wk = 0.0026810 k( 194) = ( 0.0000000 0.2380952 0.3088973), wk = 0.0026810 k( 195) = ( 0.0000000 0.2500000 0.3088973), wk = 0.0026810 k( 196) = ( 0.0000000 0.2619048 0.3088973), wk = 0.0026810 k( 197) = ( 0.0000000 0.2738095 0.3088973), wk = 0.0026810 k( 198) = ( 0.0000000 0.2857143 0.3088973), wk = 0.0026810 k( 199) = ( 0.0000000 0.2976190 0.3088973), wk = 0.0026810 k( 200) = ( 0.0000000 0.3095238 0.3088973), wk = 0.0026810 k( 201) = ( 0.0000000 0.3214286 0.3088973), wk = 0.0026810 k( 202) = ( 0.0000000 0.3333333 0.3088973), wk = 0.0026810 k( 203) = ( 0.0000000 0.3452381 0.3088973), wk = 0.0026810 k( 204) = ( 0.0000000 0.3571429 0.3088973), wk = 0.0026810 k( 205) = ( 0.0000000 0.3690476 0.3088973), wk = 0.0026810 k( 206) = ( 0.0000000 0.3809524 0.3088973), wk = 0.0026810 k( 207) = ( 0.0000000 0.3928571 0.3088973), wk = 0.0026810 k( 208) = ( 0.0000000 0.4047619 0.3088973), wk = 0.0026810 k( 209) = ( 0.0000000 0.4166667 0.3088973), wk = 0.0026810 k( 210) = ( 0.0000000 0.4285714 0.3088973), wk = 0.0026810 k( 211) = ( 0.0000000 0.4404762 0.3088973), wk = 0.0026810 k( 212) = ( 0.0000000 0.4523810 0.3088973), wk = 0.0026810 k( 213) = ( 0.0000000 0.4642857 0.3088973), wk = 0.0026810 k( 214) = ( 0.0000000 0.4761905 0.3088973), wk = 0.0026810 k( 215) = ( 0.0000000 0.4880952 0.3088973), wk = 0.0026810 k( 216) = ( 0.0000000 0.5000000 0.3088973), wk = 0.0026810 k( 217) = ( 0.0000000 0.5000000 0.3088973), wk = 0.0026810 k( 218) = ( 0.0119048 0.5000000 0.3088973), wk = 0.0026810 k( 219) = ( 0.0238095 0.5000000 0.3088973), wk = 0.0026810 k( 220) = ( 0.0357143 0.5000000 0.3088973), wk = 0.0026810 k( 221) = ( 0.0476191 0.5000000 0.3088973), wk = 0.0026810 k( 222) = ( 0.0595238 0.5000000 0.3088973), wk = 0.0026810 k( 223) = ( 0.0714286 0.5000000 0.3088973), wk = 0.0026810 k( 224) = ( 0.0833333 0.5000000 0.3088973), wk = 0.0026810 k( 225) = ( 0.0952381 0.5000000 0.3088973), wk = 0.0026810 k( 226) = ( 0.1071429 0.5000000 0.3088973), wk = 0.0026810 k( 227) = ( 0.1190476 0.5000000 0.3088973), wk = 0.0026810 k( 228) = ( 0.1309524 0.5000000 0.3088973), wk = 0.0026810 k( 229) = ( 0.1428571 0.5000000 0.3088973), wk = 0.0026810 k( 230) = ( 0.1547619 0.5000000 0.3088973), wk = 0.0026810 k( 231) = ( 0.1666667 0.5000000 0.3088973), wk = 0.0026810 k( 232) = ( 0.1785714 0.5000000 0.3088973), wk = 0.0026810 k( 233) = ( 0.1904762 0.5000000 0.3088973), wk = 0.0026810 k( 234) = ( 0.2023810 0.5000000 0.3088973), wk = 0.0026810 k( 235) = ( 0.2142857 0.5000000 0.3088973), wk = 0.0026810 k( 236) = ( 0.2261905 0.5000000 0.3088973), wk = 0.0026810 k( 237) = ( 0.2380952 0.5000000 0.3088973), wk = 0.0026810 k( 238) = ( 0.2500000 0.5000000 0.3088973), wk = 0.0026810 k( 239) = ( 0.2619048 0.5000000 0.3088973), wk = 0.0026810 k( 240) = ( 0.2738095 0.5000000 0.3088973), wk = 0.0026810 k( 241) = ( 0.2857143 0.5000000 0.3088973), wk = 0.0026810 k( 242) = ( 0.2976190 0.5000000 0.3088973), wk = 0.0026810 k( 243) = ( 0.3095238 0.5000000 0.3088973), wk = 0.0026810 k( 244) = ( 0.3214286 0.5000000 0.3088973), wk = 0.0026810 k( 245) = ( 0.3333333 0.5000000 0.3088973), wk = 0.0026810 k( 246) = ( 0.3452381 0.5000000 0.3088973), wk = 0.0026810 k( 247) = ( 0.3571429 0.5000000 0.3088973), wk = 0.0026810 k( 248) = ( 0.3690476 0.5000000 0.3088973), wk = 0.0026810 k( 249) = ( 0.3809524 0.5000000 0.3088973), wk = 0.0026810 k( 250) = ( 0.3928571 0.5000000 0.3088973), wk = 0.0026810 k( 251) = ( 0.4047619 0.5000000 0.3088973), wk = 0.0026810 k( 252) = ( 0.4166667 0.5000000 0.3088973), wk = 0.0026810 k( 253) = ( 0.4285714 0.5000000 0.3088973), wk = 0.0026810 k( 254) = ( 0.4404762 0.5000000 0.3088973), wk = 0.0026810 k( 255) = ( 0.4523810 0.5000000 0.3088973), wk = 0.0026810 k( 256) = ( 0.4642857 0.5000000 0.3088973), wk = 0.0026810 k( 257) = ( 0.4761905 0.5000000 0.3088973), wk = 0.0026810 k( 258) = ( 0.4880952 0.5000000 0.3088973), wk = 0.0026810 k( 259) = ( 0.5000000 0.5000000 0.3088973), wk = 0.0026810 k( 260) = ( 0.5000000 0.5000000 0.3088973), wk = 0.0026810 k( 261) = ( 0.4915254 0.4915254 0.3088973), wk = 0.0026810 k( 262) = ( 0.4830508 0.4830508 0.3088973), wk = 0.0026810 k( 263) = ( 0.4745763 0.4745763 0.3088973), wk = 0.0026810 k( 264) = ( 0.4661017 0.4661017 0.3088973), wk = 0.0026810 k( 265) = ( 0.4576271 0.4576271 0.3088973), wk = 0.0026810 k( 266) = ( 0.4491525 0.4491525 0.3088973), wk = 0.0026810 k( 267) = ( 0.4406780 0.4406780 0.3088973), wk = 0.0026810 k( 268) = ( 0.4322034 0.4322034 0.3088973), wk = 0.0026810 k( 269) = ( 0.4237288 0.4237288 0.3088973), wk = 0.0026810 k( 270) = ( 0.4152542 0.4152542 0.3088973), wk = 0.0026810 k( 271) = ( 0.4067797 0.4067797 0.3088973), wk = 0.0026810 k( 272) = ( 0.3983051 0.3983051 0.3088973), wk = 0.0026810 k( 273) = ( 0.3898305 0.3898305 0.3088973), wk = 0.0026810 k( 274) = ( 0.3813559 0.3813559 0.3088973), wk = 0.0026810 k( 275) = ( 0.3728814 0.3728814 0.3088973), wk = 0.0026810 k( 276) = ( 0.3644068 0.3644068 0.3088973), wk = 0.0026810 k( 277) = ( 0.3559322 0.3559322 0.3088973), wk = 0.0026810 k( 278) = ( 0.3474576 0.3474576 0.3088973), wk = 0.0026810 k( 279) = ( 0.3389831 0.3389830 0.3088973), wk = 0.0026810 k( 280) = ( 0.3305085 0.3305085 0.3088973), wk = 0.0026810 k( 281) = ( 0.3220339 0.3220339 0.3088973), wk = 0.0026810 k( 282) = ( 0.3135593 0.3135593 0.3088973), wk = 0.0026810 k( 283) = ( 0.3050848 0.3050847 0.3088973), wk = 0.0026810 k( 284) = ( 0.2966102 0.2966102 0.3088973), wk = 0.0026810 k( 285) = ( 0.2881356 0.2881356 0.3088973), wk = 0.0026810 k( 286) = ( 0.2796610 0.2796610 0.3088973), wk = 0.0026810 k( 287) = ( 0.2711864 0.2711864 0.3088973), wk = 0.0026810 k( 288) = ( 0.2627119 0.2627119 0.3088973), wk = 0.0026810 k( 289) = ( 0.2542373 0.2542373 0.3088973), wk = 0.0026810 k( 290) = ( 0.2457627 0.2457627 0.3088973), wk = 0.0026810 k( 291) = ( 0.2372881 0.2372881 0.3088973), wk = 0.0026810 k( 292) = ( 0.2288136 0.2288136 0.3088973), wk = 0.0026810 k( 293) = ( 0.2203390 0.2203390 0.3088973), wk = 0.0026810 k( 294) = ( 0.2118644 0.2118644 0.3088973), wk = 0.0026810 k( 295) = ( 0.2033898 0.2033898 0.3088973), wk = 0.0026810 k( 296) = ( 0.1949153 0.1949152 0.3088973), wk = 0.0026810 k( 297) = ( 0.1864407 0.1864407 0.3088973), wk = 0.0026810 k( 298) = ( 0.1779661 0.1779661 0.3088973), wk = 0.0026810 k( 299) = ( 0.1694915 0.1694915 0.3088973), wk = 0.0026810 k( 300) = ( 0.1610169 0.1610169 0.3088973), wk = 0.0026810 k( 301) = ( 0.1525424 0.1525424 0.3088973), wk = 0.0026810 k( 302) = ( 0.1440678 0.1440678 0.3088973), wk = 0.0026810 k( 303) = ( 0.1355932 0.1355932 0.3088973), wk = 0.0026810 k( 304) = ( 0.1271186 0.1271186 0.3088973), wk = 0.0026810 k( 305) = ( 0.1186441 0.1186441 0.3088973), wk = 0.0026810 k( 306) = ( 0.1101695 0.1101695 0.3088973), wk = 0.0026810 k( 307) = ( 0.1016949 0.1016949 0.3088973), wk = 0.0026810 k( 308) = ( 0.0932203 0.0932203 0.3088973), wk = 0.0026810 k( 309) = ( 0.0847458 0.0847458 0.3088973), wk = 0.0026810 k( 310) = ( 0.0762712 0.0762712 0.3088973), wk = 0.0026810 k( 311) = ( 0.0677966 0.0677966 0.3088973), wk = 0.0026810 k( 312) = ( 0.0593220 0.0593220 0.3088973), wk = 0.0026810 k( 313) = ( 0.0508475 0.0508475 0.3088973), wk = 0.0026810 k( 314) = ( 0.0423729 0.0423729 0.3088973), wk = 0.0026810 k( 315) = ( 0.0338983 0.0338983 0.3088973), wk = 0.0026810 k( 316) = ( 0.0254237 0.0254237 0.3088973), wk = 0.0026810 k( 317) = ( 0.0169491 0.0169491 0.3088973), wk = 0.0026810 k( 318) = ( 0.0084746 0.0084746 0.3088973), wk = 0.0026810 k( 319) = ( 0.0000000 0.0000000 0.3088973), wk = 0.0026810 k( 320) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026810 k( 321) = ( 0.0000000 0.5000000 0.0118807), wk = 0.0026810 k( 322) = ( 0.0000000 0.5000000 0.0237613), wk = 0.0026810 k( 323) = ( 0.0000000 0.5000000 0.0356420), wk = 0.0026810 k( 324) = ( 0.0000000 0.5000000 0.0475227), wk = 0.0026810 k( 325) = ( 0.0000000 0.5000000 0.0594033), wk = 0.0026810 k( 326) = ( 0.0000000 0.5000000 0.0712840), wk = 0.0026810 k( 327) = ( 0.0000000 0.5000000 0.0831646), wk = 0.0026810 k( 328) = ( 0.0000000 0.5000000 0.0950453), wk = 0.0026810 k( 329) = ( 0.0000000 0.5000000 0.1069260), wk = 0.0026810 k( 330) = ( 0.0000000 0.5000000 0.1188066), wk = 0.0026810 k( 331) = ( 0.0000000 0.5000000 0.1306873), wk = 0.0026810 k( 332) = ( 0.0000000 0.5000000 0.1425680), wk = 0.0026810 k( 333) = ( 0.0000000 0.5000000 0.1544486), wk = 0.0026810 k( 334) = ( 0.0000000 0.5000000 0.1663293), wk = 0.0026810 k( 335) = ( 0.0000000 0.5000000 0.1782100), wk = 0.0026810 k( 336) = ( 0.0000000 0.5000000 0.1900906), wk = 0.0026810 k( 337) = ( 0.0000000 0.5000000 0.2019713), wk = 0.0026810 k( 338) = ( 0.0000000 0.5000000 0.2138520), wk = 0.0026810 k( 339) = ( 0.0000000 0.5000000 0.2257326), wk = 0.0026810 k( 340) = ( 0.0000000 0.5000000 0.2376133), wk = 0.0026810 k( 341) = ( 0.0000000 0.5000000 0.2494939), wk = 0.0026810 k( 342) = ( 0.0000000 0.5000000 0.2613746), wk = 0.0026810 k( 343) = ( 0.0000000 0.5000000 0.2732553), wk = 0.0026810 k( 344) = ( 0.0000000 0.5000000 0.2851359), wk = 0.0026810 k( 345) = ( 0.0000000 0.5000000 0.2970166), wk = 0.0026810 k( 346) = ( 0.0000000 0.5000000 0.3088973), wk = 0.0026810 k( 347) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026810 k( 348) = ( 0.5000000 0.5000000 0.0118807), wk = 0.0026810 k( 349) = ( 0.5000000 0.5000000 0.0237613), wk = 0.0026810 k( 350) = ( 0.5000000 0.5000000 0.0356420), wk = 0.0026810 k( 351) = ( 0.5000000 0.5000000 0.0475227), wk = 0.0026810 k( 352) = ( 0.5000000 0.5000000 0.0594033), wk = 0.0026810 k( 353) = ( 0.5000000 0.5000000 0.0712840), wk = 0.0026810 k( 354) = ( 0.5000000 0.5000000 0.0831646), wk = 0.0026810 k( 355) = ( 0.5000000 0.5000000 0.0950453), wk = 0.0026810 k( 356) = ( 0.5000000 0.5000000 0.1069260), wk = 0.0026810 k( 357) = ( 0.5000000 0.5000000 0.1188066), wk = 0.0026810 k( 358) = ( 0.5000000 0.5000000 0.1306873), wk = 0.0026810 k( 359) = ( 0.5000000 0.5000000 0.1425680), wk = 0.0026810 k( 360) = ( 0.5000000 0.5000000 0.1544486), wk = 0.0026810 k( 361) = ( 0.5000000 0.5000000 0.1663293), wk = 0.0026810 k( 362) = ( 0.5000000 0.5000000 0.1782100), wk = 0.0026810 k( 363) = ( 0.5000000 0.5000000 0.1900906), wk = 0.0026810 k( 364) = ( 0.5000000 0.5000000 0.2019713), wk = 0.0026810 k( 365) = ( 0.5000000 0.5000000 0.2138520), wk = 0.0026810 k( 366) = ( 0.5000000 0.5000000 0.2257326), wk = 0.0026810 k( 367) = ( 0.5000000 0.5000000 0.2376133), wk = 0.0026810 k( 368) = ( 0.5000000 0.5000000 0.2494939), wk = 0.0026810 k( 369) = ( 0.5000000 0.5000000 0.2613746), wk = 0.0026810 k( 370) = ( 0.5000000 0.5000000 0.2732553), wk = 0.0026810 k( 371) = ( 0.5000000 0.5000000 0.2851359), wk = 0.0026810 k( 372) = ( 0.5000000 0.5000000 0.2970166), wk = 0.0026810 k( 373) = ( 0.5000000 0.5000000 0.3088973), wk = 0.0026810 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026810 k( 2) = ( 0.0000000 0.0119048 -0.0000000), wk = 0.0026810 k( 3) = ( 0.0000000 0.0238095 -0.0000000), wk = 0.0026810 k( 4) = ( 0.0000000 0.0357143 0.0000000), wk = 0.0026810 k( 5) = ( 0.0000000 0.0476191 0.0000000), wk = 0.0026810 k( 6) = ( 0.0000000 0.0595238 0.0000000), wk = 0.0026810 k( 7) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0026810 k( 8) = ( 0.0000000 0.0833333 0.0000000), wk = 0.0026810 k( 9) = ( 0.0000000 0.0952381 0.0000000), wk = 0.0026810 k( 10) = ( 0.0000000 0.1071429 0.0000000), wk = 0.0026810 k( 11) = ( 0.0000000 0.1190476 0.0000000), wk = 0.0026810 k( 12) = ( 0.0000000 0.1309524 -0.0000000), wk = 0.0026810 k( 13) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0026810 k( 14) = ( 0.0000000 0.1547619 0.0000000), wk = 0.0026810 k( 15) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0026810 k( 16) = ( 0.0000000 0.1785714 0.0000000), wk = 0.0026810 k( 17) = ( 0.0000000 0.1904762 0.0000000), wk = 0.0026810 k( 18) = ( 0.0000000 0.2023810 -0.0000000), wk = 0.0026810 k( 19) = ( 0.0000000 0.2142857 0.0000000), wk = 0.0026810 k( 20) = ( 0.0000000 0.2261905 -0.0000000), wk = 0.0026810 k( 21) = ( 0.0000000 0.2380952 0.0000000), wk = 0.0026810 k( 22) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0026810 k( 23) = ( 0.0000000 0.2619048 -0.0000000), wk = 0.0026810 k( 24) = ( 0.0000000 0.2738095 0.0000000), wk = 0.0026810 k( 25) = ( 0.0000000 0.2857143 0.0000000), wk = 0.0026810 k( 26) = ( 0.0000000 0.2976190 0.0000000), wk = 0.0026810 k( 27) = ( 0.0000000 0.3095238 0.0000000), wk = 0.0026810 k( 28) = ( 0.0000000 0.3214286 -0.0000000), wk = 0.0026810 k( 29) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0026810 k( 30) = ( 0.0000000 0.3452381 0.0000000), wk = 0.0026810 k( 31) = ( 0.0000000 0.3571429 0.0000000), wk = 0.0026810 k( 32) = ( 0.0000000 0.3690476 0.0000000), wk = 0.0026810 k( 33) = ( 0.0000000 0.3809524 0.0000000), wk = 0.0026810 k( 34) = ( 0.0000000 0.3928571 0.0000000), wk = 0.0026810 k( 35) = ( 0.0000000 0.4047619 -0.0000000), wk = 0.0026810 k( 36) = ( 0.0000000 0.4166667 0.0000000), wk = 0.0026810 k( 37) = ( 0.0000000 0.4285714 0.0000000), wk = 0.0026810 k( 38) = ( 0.0000000 0.4404762 -0.0000000), wk = 0.0026810 k( 39) = ( 0.0000000 0.4523810 0.0000000), wk = 0.0026810 k( 40) = ( 0.0000000 0.4642857 0.0000000), wk = 0.0026810 k( 41) = ( 0.0000000 0.4761905 0.0000000), wk = 0.0026810 k( 42) = ( 0.0000000 0.4880952 0.0000000), wk = 0.0026810 k( 43) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026810 k( 44) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026810 k( 45) = ( 0.0119048 0.5000000 0.0000000), wk = 0.0026810 k( 46) = ( 0.0238095 0.5000000 0.0000000), wk = 0.0026810 k( 47) = ( 0.0357143 0.5000000 0.0000000), wk = 0.0026810 k( 48) = ( 0.0476191 0.5000000 0.0000000), wk = 0.0026810 k( 49) = ( 0.0595238 0.5000000 -0.0000000), wk = 0.0026810 k( 50) = ( 0.0714286 0.5000000 0.0000000), wk = 0.0026810 k( 51) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0026810 k( 52) = ( 0.0952381 0.5000000 0.0000000), wk = 0.0026810 k( 53) = ( 0.1071429 0.5000000 0.0000000), wk = 0.0026810 k( 54) = ( 0.1190476 0.5000000 0.0000000), wk = 0.0026810 k( 55) = ( 0.1309524 0.5000000 0.0000000), wk = 0.0026810 k( 56) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0026810 k( 57) = ( 0.1547619 0.5000000 0.0000000), wk = 0.0026810 k( 58) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0026810 k( 59) = ( 0.1785714 0.5000000 0.0000000), wk = 0.0026810 k( 60) = ( 0.1904762 0.5000000 0.0000000), wk = 0.0026810 k( 61) = ( 0.2023810 0.5000000 0.0000000), wk = 0.0026810 k( 62) = ( 0.2142857 0.5000000 0.0000000), wk = 0.0026810 k( 63) = ( 0.2261905 0.5000000 0.0000000), wk = 0.0026810 k( 64) = ( 0.2380952 0.5000000 -0.0000000), wk = 0.0026810 k( 65) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0026810 k( 66) = ( 0.2619048 0.5000000 0.0000000), wk = 0.0026810 k( 67) = ( 0.2738095 0.5000000 0.0000000), wk = 0.0026810 k( 68) = ( 0.2857143 0.5000000 0.0000000), wk = 0.0026810 k( 69) = ( 0.2976190 0.5000000 0.0000000), wk = 0.0026810 k( 70) = ( 0.3095238 0.5000000 -0.0000000), wk = 0.0026810 k( 71) = ( 0.3214286 0.5000000 0.0000000), wk = 0.0026810 k( 72) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0026810 k( 73) = ( 0.3452381 0.5000000 -0.0000000), wk = 0.0026810 k( 74) = ( 0.3571429 0.5000000 0.0000000), wk = 0.0026810 k( 75) = ( 0.3690476 0.5000000 -0.0000000), wk = 0.0026810 k( 76) = ( 0.3809524 0.5000000 -0.0000000), wk = 0.0026810 k( 77) = ( 0.3928571 0.5000000 0.0000000), wk = 0.0026810 k( 78) = ( 0.4047619 0.5000000 0.0000000), wk = 0.0026810 k( 79) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0026810 k( 80) = ( 0.4285714 0.5000000 0.0000000), wk = 0.0026810 k( 81) = ( 0.4404762 0.5000000 -0.0000000), wk = 0.0026810 k( 82) = ( 0.4523810 0.5000000 -0.0000000), wk = 0.0026810 k( 83) = ( 0.4642857 0.5000000 0.0000000), wk = 0.0026810 k( 84) = ( 0.4761905 0.5000000 0.0000000), wk = 0.0026810 k( 85) = ( 0.4880952 0.5000000 -0.0000000), wk = 0.0026810 k( 86) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026810 k( 87) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026810 k( 88) = ( 0.4915254 0.4915254 -0.0000000), wk = 0.0026810 k( 89) = ( 0.4830508 0.4830508 0.0000000), wk = 0.0026810 k( 90) = ( 0.4745763 0.4745763 0.0000000), wk = 0.0026810 k( 91) = ( 0.4661017 0.4661017 0.0000000), wk = 0.0026810 k( 92) = ( 0.4576271 0.4576271 -0.0000000), wk = 0.0026810 k( 93) = ( 0.4491525 0.4491525 0.0000000), wk = 0.0026810 k( 94) = ( 0.4406780 0.4406780 -0.0000000), wk = 0.0026810 k( 95) = ( 0.4322034 0.4322034 0.0000000), wk = 0.0026810 k( 96) = ( 0.4237288 0.4237288 0.0000000), wk = 0.0026810 k( 97) = ( 0.4152542 0.4152542 0.0000000), wk = 0.0026810 k( 98) = ( 0.4067797 0.4067797 0.0000000), wk = 0.0026810 k( 99) = ( 0.3983051 0.3983051 -0.0000000), wk = 0.0026810 k( 100) = ( 0.3898305 0.3898305 0.0000000), wk = 0.0026810 k( 101) = ( 0.3813559 0.3813559 -0.0000000), wk = 0.0026810 k( 102) = ( 0.3728814 0.3728814 0.0000000), wk = 0.0026810 k( 103) = ( 0.3644068 0.3644068 0.0000000), wk = 0.0026810 k( 104) = ( 0.3559322 0.3559322 -0.0000000), wk = 0.0026810 k( 105) = ( 0.3474576 0.3474576 -0.0000000), wk = 0.0026810 k( 106) = ( 0.3389831 0.3389831 0.0000000), wk = 0.0026810 k( 107) = ( 0.3305085 0.3305085 -0.0000000), wk = 0.0026810 k( 108) = ( 0.3220339 0.3220339 -0.0000000), wk = 0.0026810 k( 109) = ( 0.3135593 0.3135593 0.0000000), wk = 0.0026810 k( 110) = ( 0.3050848 0.3050848 0.0000000), wk = 0.0026810 k( 111) = ( 0.2966102 0.2966102 -0.0000000), wk = 0.0026810 k( 112) = ( 0.2881356 0.2881356 0.0000000), wk = 0.0026810 k( 113) = ( 0.2796610 0.2796610 0.0000000), wk = 0.0026810 k( 114) = ( 0.2711864 0.2711864 0.0000000), wk = 0.0026810 k( 115) = ( 0.2627119 0.2627119 0.0000000), wk = 0.0026810 k( 116) = ( 0.2542373 0.2542373 0.0000000), wk = 0.0026810 k( 117) = ( 0.2457627 0.2457627 -0.0000000), wk = 0.0026810 k( 118) = ( 0.2372881 0.2372881 0.0000000), wk = 0.0026810 k( 119) = ( 0.2288136 0.2288136 -0.0000000), wk = 0.0026810 k( 120) = ( 0.2203390 0.2203390 0.0000000), wk = 0.0026810 k( 121) = ( 0.2118644 0.2118644 -0.0000000), wk = 0.0026810 k( 122) = ( 0.2033898 0.2033898 0.0000000), wk = 0.0026810 k( 123) = ( 0.1949153 0.1949153 0.0000000), wk = 0.0026810 k( 124) = ( 0.1864407 0.1864407 0.0000000), wk = 0.0026810 k( 125) = ( 0.1779661 0.1779661 -0.0000000), wk = 0.0026810 k( 126) = ( 0.1694915 0.1694915 0.0000000), wk = 0.0026810 k( 127) = ( 0.1610169 0.1610169 -0.0000000), wk = 0.0026810 k( 128) = ( 0.1525424 0.1525424 0.0000000), wk = 0.0026810 k( 129) = ( 0.1440678 0.1440678 -0.0000000), wk = 0.0026810 k( 130) = ( 0.1355932 0.1355932 0.0000000), wk = 0.0026810 k( 131) = ( 0.1271186 0.1271186 0.0000000), wk = 0.0026810 k( 132) = ( 0.1186441 0.1186441 0.0000000), wk = 0.0026810 k( 133) = ( 0.1101695 0.1101695 0.0000000), wk = 0.0026810 k( 134) = ( 0.1016949 0.1016949 -0.0000000), wk = 0.0026810 k( 135) = ( 0.0932203 0.0932203 0.0000000), wk = 0.0026810 k( 136) = ( 0.0847458 0.0847458 -0.0000000), wk = 0.0026810 k( 137) = ( 0.0762712 0.0762712 0.0000000), wk = 0.0026810 k( 138) = ( 0.0677966 0.0677966 0.0000000), wk = 0.0026810 k( 139) = ( 0.0593220 0.0593220 -0.0000000), wk = 0.0026810 k( 140) = ( 0.0508475 0.0508475 -0.0000000), wk = 0.0026810 k( 141) = ( 0.0423729 0.0423729 -0.0000000), wk = 0.0026810 k( 142) = ( 0.0338983 0.0338983 0.0000000), wk = 0.0026810 k( 143) = ( 0.0254237 0.0254237 -0.0000000), wk = 0.0026810 k( 144) = ( 0.0169491 0.0169491 0.0000000), wk = 0.0026810 k( 145) = ( 0.0084746 0.0084746 0.0000000), wk = 0.0026810 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026810 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026810 k( 148) = ( 0.0000000 0.0000000 0.0192308), wk = 0.0026810 k( 149) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0026810 k( 150) = ( 0.0000000 0.0000000 0.0576923), wk = 0.0026810 k( 151) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0026810 k( 152) = ( 0.0000000 0.0000000 0.0961539), wk = 0.0026810 k( 153) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0026810 k( 154) = ( 0.0000000 0.0000000 0.1346154), wk = 0.0026810 k( 155) = ( 0.0000000 0.0000000 0.1538462), wk = 0.0026810 k( 156) = ( 0.0000000 0.0000000 0.1730769), wk = 0.0026810 k( 157) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0026810 k( 158) = ( 0.0000000 0.0000000 0.2115385), wk = 0.0026810 k( 159) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0026810 k( 160) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0026810 k( 161) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0026810 k( 162) = ( 0.0000000 0.0000000 0.2884615), wk = 0.0026810 k( 163) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0026810 k( 164) = ( 0.0000000 0.0000000 0.3269231), wk = 0.0026810 k( 165) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0026810 k( 166) = ( 0.0000000 0.0000000 0.3653846), wk = 0.0026810 k( 167) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0026810 k( 168) = ( 0.0000000 0.0000000 0.4038462), wk = 0.0026810 k( 169) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0026810 k( 170) = ( 0.0000000 0.0000000 0.4423077), wk = 0.0026810 k( 171) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0026810 k( 172) = ( 0.0000000 0.0000000 0.4807692), wk = 0.0026810 k( 173) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026810 k( 174) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026810 k( 175) = ( 0.0000000 0.0119048 0.5000000), wk = 0.0026810 k( 176) = ( 0.0000000 0.0238095 0.5000000), wk = 0.0026810 k( 177) = ( 0.0000000 0.0357143 0.5000000), wk = 0.0026810 k( 178) = ( 0.0000000 0.0476191 0.5000000), wk = 0.0026810 k( 179) = ( 0.0000000 0.0595238 0.5000000), wk = 0.0026810 k( 180) = ( 0.0000000 0.0714286 0.5000000), wk = 0.0026810 k( 181) = ( 0.0000000 0.0833333 0.5000000), wk = 0.0026810 k( 182) = ( 0.0000000 0.0952381 0.5000000), wk = 0.0026810 k( 183) = ( 0.0000000 0.1071429 0.5000000), wk = 0.0026810 k( 184) = ( 0.0000000 0.1190476 0.5000000), wk = 0.0026810 k( 185) = ( 0.0000000 0.1309524 0.5000000), wk = 0.0026810 k( 186) = ( 0.0000000 0.1428571 0.5000000), wk = 0.0026810 k( 187) = ( 0.0000000 0.1547619 0.5000000), wk = 0.0026810 k( 188) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0026810 k( 189) = ( 0.0000000 0.1785714 0.5000000), wk = 0.0026810 k( 190) = ( 0.0000000 0.1904762 0.5000000), wk = 0.0026810 k( 191) = ( 0.0000000 0.2023810 0.5000000), wk = 0.0026810 k( 192) = ( 0.0000000 0.2142857 0.5000000), wk = 0.0026810 k( 193) = ( 0.0000000 0.2261905 0.5000000), wk = 0.0026810 k( 194) = ( 0.0000000 0.2380952 0.5000000), wk = 0.0026810 k( 195) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0026810 k( 196) = ( 0.0000000 0.2619048 0.5000000), wk = 0.0026810 k( 197) = ( 0.0000000 0.2738095 0.5000000), wk = 0.0026810 k( 198) = ( 0.0000000 0.2857143 0.5000000), wk = 0.0026810 k( 199) = ( 0.0000000 0.2976190 0.5000000), wk = 0.0026810 k( 200) = ( 0.0000000 0.3095238 0.5000000), wk = 0.0026810 k( 201) = ( 0.0000000 0.3214286 0.5000000), wk = 0.0026810 k( 202) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0026810 k( 203) = ( 0.0000000 0.3452381 0.5000000), wk = 0.0026810 k( 204) = ( 0.0000000 0.3571429 0.5000000), wk = 0.0026810 k( 205) = ( 0.0000000 0.3690476 0.5000000), wk = 0.0026810 k( 206) = ( 0.0000000 0.3809524 0.5000000), wk = 0.0026810 k( 207) = ( 0.0000000 0.3928571 0.5000000), wk = 0.0026810 k( 208) = ( 0.0000000 0.4047619 0.5000000), wk = 0.0026810 k( 209) = ( 0.0000000 0.4166667 0.5000000), wk = 0.0026810 k( 210) = ( 0.0000000 0.4285714 0.5000000), wk = 0.0026810 k( 211) = ( 0.0000000 0.4404762 0.5000000), wk = 0.0026810 k( 212) = ( 0.0000000 0.4523810 0.5000000), wk = 0.0026810 k( 213) = ( 0.0000000 0.4642857 0.5000000), wk = 0.0026810 k( 214) = ( 0.0000000 0.4761905 0.5000000), wk = 0.0026810 k( 215) = ( 0.0000000 0.4880952 0.5000000), wk = 0.0026810 k( 216) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026810 k( 217) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026810 k( 218) = ( 0.0119048 0.5000000 0.5000000), wk = 0.0026810 k( 219) = ( 0.0238095 0.5000000 0.5000000), wk = 0.0026810 k( 220) = ( 0.0357143 0.5000000 0.5000000), wk = 0.0026810 k( 221) = ( 0.0476191 0.5000000 0.5000000), wk = 0.0026810 k( 222) = ( 0.0595238 0.5000000 0.5000000), wk = 0.0026810 k( 223) = ( 0.0714286 0.5000000 0.5000000), wk = 0.0026810 k( 224) = ( 0.0833333 0.5000000 0.5000000), wk = 0.0026810 k( 225) = ( 0.0952381 0.5000000 0.5000000), wk = 0.0026810 k( 226) = ( 0.1071429 0.5000000 0.5000000), wk = 0.0026810 k( 227) = ( 0.1190476 0.5000000 0.5000000), wk = 0.0026810 k( 228) = ( 0.1309524 0.5000000 0.5000000), wk = 0.0026810 k( 229) = ( 0.1428571 0.5000000 0.5000000), wk = 0.0026810 k( 230) = ( 0.1547619 0.5000000 0.5000000), wk = 0.0026810 k( 231) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0026810 k( 232) = ( 0.1785714 0.5000000 0.5000000), wk = 0.0026810 k( 233) = ( 0.1904762 0.5000000 0.5000000), wk = 0.0026810 k( 234) = ( 0.2023810 0.5000000 0.5000000), wk = 0.0026810 k( 235) = ( 0.2142857 0.5000000 0.5000000), wk = 0.0026810 k( 236) = ( 0.2261905 0.5000000 0.5000000), wk = 0.0026810 k( 237) = ( 0.2380952 0.5000000 0.5000000), wk = 0.0026810 k( 238) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0026810 k( 239) = ( 0.2619048 0.5000000 0.5000000), wk = 0.0026810 k( 240) = ( 0.2738095 0.5000000 0.5000000), wk = 0.0026810 k( 241) = ( 0.2857143 0.5000000 0.5000000), wk = 0.0026810 k( 242) = ( 0.2976190 0.5000000 0.5000000), wk = 0.0026810 k( 243) = ( 0.3095238 0.5000000 0.5000000), wk = 0.0026810 k( 244) = ( 0.3214286 0.5000000 0.5000000), wk = 0.0026810 k( 245) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0026810 k( 246) = ( 0.3452381 0.5000000 0.5000000), wk = 0.0026810 k( 247) = ( 0.3571429 0.5000000 0.5000000), wk = 0.0026810 k( 248) = ( 0.3690476 0.5000000 0.5000000), wk = 0.0026810 k( 249) = ( 0.3809524 0.5000000 0.5000000), wk = 0.0026810 k( 250) = ( 0.3928571 0.5000000 0.5000000), wk = 0.0026810 k( 251) = ( 0.4047619 0.5000000 0.5000000), wk = 0.0026810 k( 252) = ( 0.4166667 0.5000000 0.5000000), wk = 0.0026810 k( 253) = ( 0.4285714 0.5000000 0.5000000), wk = 0.0026810 k( 254) = ( 0.4404762 0.5000000 0.5000000), wk = 0.0026810 k( 255) = ( 0.4523810 0.5000000 0.5000000), wk = 0.0026810 k( 256) = ( 0.4642857 0.5000000 0.5000000), wk = 0.0026810 k( 257) = ( 0.4761905 0.5000000 0.5000000), wk = 0.0026810 k( 258) = ( 0.4880952 0.5000000 0.5000000), wk = 0.0026810 k( 259) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026810 k( 260) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026810 k( 261) = ( 0.4915254 0.4915254 0.5000000), wk = 0.0026810 k( 262) = ( 0.4830508 0.4830508 0.5000000), wk = 0.0026810 k( 263) = ( 0.4745763 0.4745763 0.5000000), wk = 0.0026810 k( 264) = ( 0.4661017 0.4661017 0.5000000), wk = 0.0026810 k( 265) = ( 0.4576271 0.4576271 0.5000000), wk = 0.0026810 k( 266) = ( 0.4491525 0.4491525 0.5000000), wk = 0.0026810 k( 267) = ( 0.4406780 0.4406780 0.5000000), wk = 0.0026810 k( 268) = ( 0.4322034 0.4322034 0.5000000), wk = 0.0026810 k( 269) = ( 0.4237288 0.4237288 0.5000000), wk = 0.0026810 k( 270) = ( 0.4152542 0.4152542 0.5000000), wk = 0.0026810 k( 271) = ( 0.4067797 0.4067797 0.5000000), wk = 0.0026810 k( 272) = ( 0.3983051 0.3983051 0.5000000), wk = 0.0026810 k( 273) = ( 0.3898305 0.3898305 0.5000000), wk = 0.0026810 k( 274) = ( 0.3813559 0.3813559 0.5000000), wk = 0.0026810 k( 275) = ( 0.3728814 0.3728814 0.5000000), wk = 0.0026810 k( 276) = ( 0.3644068 0.3644068 0.5000000), wk = 0.0026810 k( 277) = ( 0.3559322 0.3559322 0.5000000), wk = 0.0026810 k( 278) = ( 0.3474576 0.3474576 0.5000000), wk = 0.0026810 k( 279) = ( 0.3389831 0.3389831 0.5000000), wk = 0.0026810 k( 280) = ( 0.3305085 0.3305085 0.5000000), wk = 0.0026810 k( 281) = ( 0.3220339 0.3220339 0.5000000), wk = 0.0026810 k( 282) = ( 0.3135593 0.3135593 0.5000000), wk = 0.0026810 k( 283) = ( 0.3050848 0.3050848 0.5000000), wk = 0.0026810 k( 284) = ( 0.2966102 0.2966102 0.5000000), wk = 0.0026810 k( 285) = ( 0.2881356 0.2881356 0.5000000), wk = 0.0026810 k( 286) = ( 0.2796610 0.2796610 0.5000000), wk = 0.0026810 k( 287) = ( 0.2711864 0.2711864 0.5000000), wk = 0.0026810 k( 288) = ( 0.2627119 0.2627119 0.5000000), wk = 0.0026810 k( 289) = ( 0.2542373 0.2542373 0.5000000), wk = 0.0026810 k( 290) = ( 0.2457627 0.2457627 0.5000000), wk = 0.0026810 k( 291) = ( 0.2372881 0.2372881 0.5000000), wk = 0.0026810 k( 292) = ( 0.2288136 0.2288136 0.5000000), wk = 0.0026810 k( 293) = ( 0.2203390 0.2203390 0.5000000), wk = 0.0026810 k( 294) = ( 0.2118644 0.2118644 0.5000000), wk = 0.0026810 k( 295) = ( 0.2033898 0.2033898 0.5000000), wk = 0.0026810 k( 296) = ( 0.1949153 0.1949153 0.5000000), wk = 0.0026810 k( 297) = ( 0.1864407 0.1864407 0.5000000), wk = 0.0026810 k( 298) = ( 0.1779661 0.1779661 0.5000000), wk = 0.0026810 k( 299) = ( 0.1694915 0.1694915 0.5000000), wk = 0.0026810 k( 300) = ( 0.1610169 0.1610169 0.5000000), wk = 0.0026810 k( 301) = ( 0.1525424 0.1525424 0.5000000), wk = 0.0026810 k( 302) = ( 0.1440678 0.1440678 0.5000000), wk = 0.0026810 k( 303) = ( 0.1355932 0.1355932 0.5000000), wk = 0.0026810 k( 304) = ( 0.1271186 0.1271186 0.5000000), wk = 0.0026810 k( 305) = ( 0.1186441 0.1186441 0.5000000), wk = 0.0026810 k( 306) = ( 0.1101695 0.1101695 0.5000000), wk = 0.0026810 k( 307) = ( 0.1016949 0.1016949 0.5000000), wk = 0.0026810 k( 308) = ( 0.0932203 0.0932203 0.5000000), wk = 0.0026810 k( 309) = ( 0.0847458 0.0847458 0.5000000), wk = 0.0026810 k( 310) = ( 0.0762712 0.0762712 0.5000000), wk = 0.0026810 k( 311) = ( 0.0677966 0.0677966 0.5000000), wk = 0.0026810 k( 312) = ( 0.0593220 0.0593220 0.5000000), wk = 0.0026810 k( 313) = ( 0.0508475 0.0508475 0.5000000), wk = 0.0026810 k( 314) = ( 0.0423729 0.0423729 0.5000000), wk = 0.0026810 k( 315) = ( 0.0338983 0.0338983 0.5000000), wk = 0.0026810 k( 316) = ( 0.0254237 0.0254237 0.5000000), wk = 0.0026810 k( 317) = ( 0.0169491 0.0169491 0.5000000), wk = 0.0026810 k( 318) = ( 0.0084746 0.0084746 0.5000000), wk = 0.0026810 k( 319) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026810 k( 320) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026810 k( 321) = ( 0.0000000 0.5000000 0.0192308), wk = 0.0026810 k( 322) = ( 0.0000000 0.5000000 0.0384615), wk = 0.0026810 k( 323) = ( 0.0000000 0.5000000 0.0576923), wk = 0.0026810 k( 324) = ( 0.0000000 0.5000000 0.0769231), wk = 0.0026810 k( 325) = ( 0.0000000 0.5000000 0.0961538), wk = 0.0026810 k( 326) = ( 0.0000000 0.5000000 0.1153846), wk = 0.0026810 k( 327) = ( 0.0000000 0.5000000 0.1346154), wk = 0.0026810 k( 328) = ( 0.0000000 0.5000000 0.1538461), wk = 0.0026810 k( 329) = ( 0.0000000 0.5000000 0.1730769), wk = 0.0026810 k( 330) = ( 0.0000000 0.5000000 0.1923077), wk = 0.0026810 k( 331) = ( 0.0000000 0.5000000 0.2115385), wk = 0.0026810 k( 332) = ( 0.0000000 0.5000000 0.2307692), wk = 0.0026810 k( 333) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0026810 k( 334) = ( 0.0000000 0.5000000 0.2692308), wk = 0.0026810 k( 335) = ( 0.0000000 0.5000000 0.2884615), wk = 0.0026810 k( 336) = ( 0.0000000 0.5000000 0.3076923), wk = 0.0026810 k( 337) = ( 0.0000000 0.5000000 0.3269231), wk = 0.0026810 k( 338) = ( 0.0000000 0.5000000 0.3461538), wk = 0.0026810 k( 339) = ( 0.0000000 0.5000000 0.3653846), wk = 0.0026810 k( 340) = ( 0.0000000 0.5000000 0.3846154), wk = 0.0026810 k( 341) = ( 0.0000000 0.5000000 0.4038462), wk = 0.0026810 k( 342) = ( 0.0000000 0.5000000 0.4230769), wk = 0.0026810 k( 343) = ( 0.0000000 0.5000000 0.4423077), wk = 0.0026810 k( 344) = ( 0.0000000 0.5000000 0.4615385), wk = 0.0026810 k( 345) = ( 0.0000000 0.5000000 0.4807692), wk = 0.0026810 k( 346) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026810 k( 347) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026810 k( 348) = ( 0.5000000 0.5000000 0.0192308), wk = 0.0026810 k( 349) = ( 0.5000000 0.5000000 0.0384615), wk = 0.0026810 k( 350) = ( 0.5000000 0.5000000 0.0576923), wk = 0.0026810 k( 351) = ( 0.5000000 0.5000000 0.0769231), wk = 0.0026810 k( 352) = ( 0.5000000 0.5000000 0.0961538), wk = 0.0026810 k( 353) = ( 0.5000000 0.5000000 0.1153846), wk = 0.0026810 k( 354) = ( 0.5000000 0.5000000 0.1346154), wk = 0.0026810 k( 355) = ( 0.5000000 0.5000000 0.1538461), wk = 0.0026810 k( 356) = ( 0.5000000 0.5000000 0.1730769), wk = 0.0026810 k( 357) = ( 0.5000000 0.5000000 0.1923077), wk = 0.0026810 k( 358) = ( 0.5000000 0.5000000 0.2115385), wk = 0.0026810 k( 359) = ( 0.5000000 0.5000000 0.2307692), wk = 0.0026810 k( 360) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0026810 k( 361) = ( 0.5000000 0.5000000 0.2692308), wk = 0.0026810 k( 362) = ( 0.5000000 0.5000000 0.2884615), wk = 0.0026810 k( 363) = ( 0.5000000 0.5000000 0.3076923), wk = 0.0026810 k( 364) = ( 0.5000000 0.5000000 0.3269231), wk = 0.0026810 k( 365) = ( 0.5000000 0.5000000 0.3461538), wk = 0.0026810 k( 366) = ( 0.5000000 0.5000000 0.3653846), wk = 0.0026810 k( 367) = ( 0.5000000 0.5000000 0.3846154), wk = 0.0026810 k( 368) = ( 0.5000000 0.5000000 0.4038462), wk = 0.0026810 k( 369) = ( 0.5000000 0.5000000 0.4230769), wk = 0.0026810 k( 370) = ( 0.5000000 0.5000000 0.4423077), wk = 0.0026810 k( 371) = ( 0.5000000 0.5000000 0.4615385), wk = 0.0026810 k( 372) = ( 0.5000000 0.5000000 0.4807692), wk = 0.0026810 k( 373) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026810 Dense grid: 56313 G-vectors FFT dimensions: ( 45, 45, 72) Smooth grid: 28241 G-vectors FFT dimensions: ( 36, 36, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.14 Mb ( 196, 48) NL pseudopotentials 0.14 Mb ( 98, 96) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1562) G-vector shells 0.01 Mb ( 780) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.57 Mb ( 196, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.14 Mb ( 96, 2, 48) The potential is recalculated from file : ./TlF.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.9 secs Computing kpt #: 2 total cpu time spent up to now is 2.2 secs Computing kpt #: 3 total cpu time spent up to now is 2.5 secs Computing kpt #: 4 total cpu time spent up to now is 2.7 secs Computing kpt #: 5 total cpu time spent up to now is 3.0 secs Computing kpt #: 6 total cpu time spent up to now is 3.2 secs Computing kpt #: 7 total cpu time spent up to now is 3.5 secs Computing kpt #: 8 total cpu time spent up to now is 3.8 secs Computing kpt #: 9 total cpu time spent up to now is 4.0 secs Computing kpt #: 10 total cpu time spent up to now is 4.3 secs Computing kpt #: 11 total cpu time spent up to now is 4.5 secs Computing kpt #: 12 total cpu time spent up to now is 4.8 secs Computing kpt #: 13 total cpu time spent up to now is 5.0 secs Computing kpt #: 14 total cpu time spent up to now is 5.3 secs Computing kpt #: 15 total cpu time spent up to now is 5.5 secs Computing kpt #: 16 total cpu time spent up to now is 5.8 secs Computing kpt #: 17 total cpu time spent up to now is 6.1 secs Computing kpt #: 18 total cpu time spent up to now is 6.3 secs Computing kpt #: 19 total cpu time spent up to now is 6.6 secs Computing kpt #: 20 total cpu time spent up to now is 6.9 secs Computing kpt #: 21 total cpu time spent up to now is 7.1 secs Computing kpt #: 22 total cpu time spent up to now is 7.4 secs Computing kpt #: 23 total cpu time spent up to now is 7.7 secs Computing kpt #: 24 total cpu time spent up to now is 8.0 secs Computing kpt #: 25 total cpu time spent up to now is 8.3 secs Computing kpt #: 26 total cpu time spent up to now is 8.5 secs Computing kpt #: 27 total cpu time spent up to now is 8.8 secs Computing kpt #: 28 total cpu time spent up to now is 9.1 secs Computing kpt #: 29 total cpu time spent up to now is 9.4 secs Computing kpt #: 30 total cpu time spent up to now is 9.7 secs Computing kpt #: 31 total cpu time spent up to now is 10.0 secs Computing kpt #: 32 total cpu time spent up to now is 10.2 secs Computing kpt #: 33 total cpu time spent up to now is 10.5 secs Computing kpt #: 34 total cpu time spent up to now is 10.7 secs Computing kpt #: 35 total cpu time spent up to now is 11.0 secs Computing kpt #: 36 total cpu time spent up to now is 11.2 secs Computing kpt #: 37 total cpu time spent up to now is 11.5 secs Computing kpt #: 38 total cpu time spent up to now is 11.7 secs Computing kpt #: 39 total cpu time spent up to now is 12.0 secs Computing kpt #: 40 total cpu time spent up to now is 12.2 secs Computing kpt #: 41 total cpu time spent up to now is 12.5 secs Computing kpt #: 42 total cpu time spent up to now is 12.7 secs Computing kpt #: 43 total cpu time spent up to now is 13.0 secs Computing kpt #: 44 total cpu time spent up to now is 13.2 secs Computing kpt #: 45 total cpu time spent up to now is 13.5 secs Computing kpt #: 46 total cpu time spent up to now is 13.7 secs Computing kpt #: 47 total cpu time spent up to now is 14.0 secs Computing kpt #: 48 total cpu time spent up to now is 14.2 secs Computing kpt #: 49 total cpu time spent up to now is 14.5 secs Computing kpt #: 50 total cpu time spent up to now is 14.7 secs Computing kpt #: 51 total cpu time spent up to now is 15.0 secs Computing kpt #: 52 total cpu time spent up to now is 15.2 secs Computing kpt #: 53 total cpu time spent up to now is 15.5 secs Computing kpt #: 54 total cpu time spent up to now is 15.8 secs Computing kpt #: 55 total cpu time spent up to now is 16.0 secs Computing kpt #: 56 total cpu time spent up to now is 16.3 secs Computing kpt #: 57 total cpu time spent up to now is 16.6 secs Computing kpt #: 58 total cpu time spent up to now is 16.8 secs Computing kpt #: 59 total cpu time spent up to now is 17.1 secs Computing kpt #: 60 total cpu time spent up to now is 17.4 secs Computing kpt #: 61 total cpu time spent up to now is 17.7 secs Computing kpt #: 62 total cpu time spent up to now is 17.9 secs Computing kpt #: 63 total cpu time spent up to now is 18.2 secs Computing kpt #: 64 total cpu time spent up to now is 18.5 secs Computing kpt #: 65 total cpu time spent up to now is 18.8 secs Computing kpt #: 66 total cpu time spent up to now is 19.0 secs Computing kpt #: 67 total cpu time spent up to now is 19.3 secs Computing kpt #: 68 total cpu time spent up to now is 19.6 secs Computing kpt #: 69 total cpu time spent up to now is 19.9 secs Computing kpt #: 70 total cpu time spent up to now is 20.1 secs Computing kpt #: 71 total cpu time spent up to now is 20.4 secs Computing kpt #: 72 total cpu time spent up to now is 20.6 secs Computing kpt #: 73 total cpu time spent up to now is 20.9 secs Computing kpt #: 74 total cpu time spent up to now is 21.2 secs Computing kpt #: 75 total cpu time spent up to now is 21.4 secs Computing kpt #: 76 total cpu time spent up to now is 21.7 secs Computing kpt #: 77 total cpu time spent up to now is 21.9 secs Computing kpt #: 78 total cpu time spent up to now is 22.2 secs Computing kpt #: 79 total cpu time spent up to now is 22.4 secs Computing kpt #: 80 total cpu time spent up to now is 22.7 secs Computing kpt #: 81 total cpu time spent up to now is 22.9 secs Computing kpt #: 82 total cpu time spent up to now is 23.2 secs Computing kpt #: 83 total cpu time spent up to now is 23.4 secs Computing kpt #: 84 total cpu time spent up to now is 23.6 secs Computing kpt #: 85 total cpu time spent up to now is 23.9 secs Computing kpt #: 86 total cpu time spent up to now is 24.1 secs Computing kpt #: 87 total cpu time spent up to now is 24.3 secs Computing kpt #: 88 total cpu time spent up to now is 24.6 secs Computing kpt #: 89 total cpu time spent up to now is 24.8 secs Computing kpt #: 90 total cpu time spent up to now is 25.0 secs Computing kpt #: 91 total cpu time spent up to now is 25.3 secs Computing kpt #: 92 total cpu time spent up to now is 25.5 secs Computing kpt #: 93 total cpu time spent up to now is 25.7 secs Computing kpt #: 94 total cpu time spent up to now is 26.0 secs Computing kpt #: 95 total cpu time spent up to now is 26.2 secs Computing kpt #: 96 total cpu time spent up to now is 26.5 secs Computing kpt #: 97 total cpu time spent up to now is 26.8 secs Computing kpt #: 98 total cpu time spent up to now is 27.0 secs Computing kpt #: 99 total cpu time spent up to now is 27.3 secs Computing kpt #: 100 total cpu time spent up to now is 27.5 secs Computing kpt #: 101 total cpu time spent up to now is 27.8 secs Computing kpt #: 102 total cpu time spent up to now is 28.1 secs Computing kpt #: 103 total cpu time spent up to now is 28.4 secs Computing kpt #: 104 total cpu time spent up to now is 28.6 secs Computing kpt #: 105 total cpu time spent up to now is 28.9 secs Computing kpt #: 106 total cpu time spent up to now is 29.2 secs Computing kpt #: 107 total cpu time spent up to now is 29.5 secs Computing kpt #: 108 total cpu time spent up to now is 29.7 secs Computing kpt #: 109 total cpu time spent up to now is 30.0 secs Computing kpt #: 110 total cpu time spent up to now is 30.3 secs Computing kpt #: 111 total cpu time spent up to now is 30.6 secs Computing kpt #: 112 total cpu time spent up to now is 30.8 secs Computing kpt #: 113 total cpu time spent up to now is 31.1 secs Computing kpt #: 114 total cpu time spent up to now is 31.4 secs Computing kpt #: 115 total cpu time spent up to now is 31.6 secs Computing kpt #: 116 total cpu time spent up to now is 31.9 secs Computing kpt #: 117 total cpu time spent up to now is 32.2 secs Computing kpt #: 118 total cpu time spent up to now is 32.4 secs Computing kpt #: 119 total cpu time spent up to now is 32.7 secs Computing kpt #: 120 total cpu time spent up to now is 32.9 secs Computing kpt #: 121 total cpu time spent up to now is 33.2 secs Computing kpt #: 122 total cpu time spent up to now is 33.5 secs Computing kpt #: 123 total cpu time spent up to now is 33.7 secs Computing kpt #: 124 total cpu time spent up to now is 34.0 secs Computing kpt #: 125 total cpu time spent up to now is 34.2 secs Computing kpt #: 126 total cpu time spent up to now is 34.5 secs Computing kpt #: 127 total cpu time spent up to now is 34.7 secs Computing kpt #: 128 total cpu time spent up to now is 35.0 secs Computing kpt #: 129 total cpu time spent up to now is 35.2 secs Computing kpt #: 130 total cpu time spent up to now is 35.4 secs Computing kpt #: 131 total cpu time spent up to now is 35.7 secs Computing kpt #: 132 total cpu time spent up to now is 35.9 secs Computing kpt #: 133 total cpu time spent up to now is 36.2 secs Computing kpt #: 134 total cpu time spent up to now is 36.4 secs Computing kpt #: 135 total cpu time spent up to now is 36.7 secs Computing kpt #: 136 total cpu time spent up to now is 36.9 secs Computing kpt #: 137 total cpu time spent up to now is 37.2 secs Computing kpt #: 138 total cpu time spent up to now is 37.4 secs Computing kpt #: 139 total cpu time spent up to now is 37.7 secs Computing kpt #: 140 total cpu time spent up to now is 38.0 secs Computing kpt #: 141 total cpu time spent up to now is 38.2 secs Computing kpt #: 142 total cpu time spent up to now is 38.5 secs Computing kpt #: 143 total cpu time spent up to now is 38.7 secs Computing kpt #: 144 total cpu time spent up to now is 39.0 secs Computing kpt #: 145 total cpu time spent up to now is 39.2 secs Computing kpt #: 146 total cpu time spent up to now is 39.5 secs Computing kpt #: 147 total cpu time spent up to now is 39.7 secs Computing kpt #: 148 total cpu time spent up to now is 40.0 secs Computing kpt #: 149 total cpu time spent up to now is 40.2 secs Computing kpt #: 150 total cpu time spent up to now is 40.5 secs Computing kpt #: 151 total cpu time spent up to now is 40.7 secs Computing kpt #: 152 total cpu time spent up to now is 41.0 secs Computing kpt #: 153 total cpu time spent up to now is 41.2 secs Computing kpt #: 154 total cpu time spent up to now is 41.5 secs Computing kpt #: 155 total cpu time spent up to now is 41.7 secs Computing kpt #: 156 total cpu time spent up to now is 42.0 secs Computing kpt #: 157 total cpu time spent up to now is 42.2 secs Computing kpt #: 158 total cpu time spent up to now is 42.5 secs Computing kpt #: 159 total cpu time spent up to now is 42.8 secs Computing kpt #: 160 total cpu time spent up to now is 43.0 secs Computing kpt #: 161 total cpu time spent up to now is 43.3 secs Computing kpt #: 162 total cpu time spent up to now is 43.5 secs Computing kpt #: 163 total cpu time spent up to now is 43.8 secs Computing kpt #: 164 total cpu time spent up to now is 44.1 secs Computing kpt #: 165 total cpu time spent up to now is 44.4 secs Computing kpt #: 166 total cpu time spent up to now is 44.7 secs Computing kpt #: 167 total cpu time spent up to now is 44.9 secs Computing kpt #: 168 total cpu time spent up to now is 45.2 secs Computing kpt #: 169 total cpu time spent up to now is 45.5 secs Computing kpt #: 170 total cpu time spent up to now is 45.8 secs Computing kpt #: 171 total cpu time spent up to now is 46.0 secs Computing kpt #: 172 total cpu time spent up to now is 46.3 secs Computing kpt #: 173 total cpu time spent up to now is 46.6 secs Computing kpt #: 174 total cpu time spent up to now is 46.9 secs Computing kpt #: 175 total cpu time spent up to now is 47.2 secs Computing kpt #: 176 total cpu time spent up to now is 47.5 secs Computing kpt #: 177 total cpu time spent up to now is 47.8 secs Computing kpt #: 178 total cpu time spent up to now is 48.1 secs Computing kpt #: 179 total cpu time spent up to now is 48.4 secs Computing kpt #: 180 total cpu time spent up to now is 48.7 secs Computing kpt #: 181 total cpu time spent up to now is 49.0 secs Computing kpt #: 182 total cpu time spent up to now is 49.2 secs Computing kpt #: 183 total cpu time spent up to now is 49.5 secs Computing kpt #: 184 total cpu time spent up to now is 49.8 secs Computing kpt #: 185 total cpu time spent up to now is 50.1 secs Computing kpt #: 186 total cpu time spent up to now is 50.4 secs Computing kpt #: 187 total cpu time spent up to now is 50.7 secs Computing kpt #: 188 total cpu time spent up to now is 50.9 secs Computing kpt #: 189 total cpu time spent up to now is 51.2 secs Computing kpt #: 190 total cpu time spent up to now is 51.5 secs Computing kpt #: 191 total cpu time spent up to now is 51.8 secs Computing kpt #: 192 total cpu time spent up to now is 52.0 secs Computing kpt #: 193 total cpu time spent up to now is 52.3 secs Computing kpt #: 194 total cpu time spent up to now is 52.6 secs Computing kpt #: 195 total cpu time spent up to now is 52.8 secs Computing kpt #: 196 total cpu time spent up to now is 53.1 secs Computing kpt #: 197 total cpu time spent up to now is 53.4 secs Computing kpt #: 198 total cpu time spent up to now is 53.7 secs Computing kpt #: 199 total cpu time spent up to now is 53.9 secs Computing kpt #: 200 total cpu time spent up to now is 54.2 secs Computing kpt #: 201 total cpu time spent up to now is 54.5 secs Computing kpt #: 202 total cpu time spent up to now is 54.8 secs Computing kpt #: 203 total cpu time spent up to now is 55.0 secs Computing kpt #: 204 total cpu time spent up to now is 55.3 secs Computing kpt #: 205 total cpu time spent up to now is 55.6 secs Computing kpt #: 206 total cpu time spent up to now is 55.8 secs Computing kpt #: 207 total cpu time spent up to now is 56.1 secs Computing kpt #: 208 total cpu time spent up to now is 56.4 secs Computing kpt #: 209 total cpu time spent up to now is 56.6 secs Computing kpt #: 210 total cpu time spent up to now is 56.9 secs Computing kpt #: 211 total cpu time spent up to now is 57.2 secs Computing kpt #: 212 total cpu time spent up to now is 57.4 secs Computing kpt #: 213 total cpu time spent up to now is 57.7 secs Computing kpt #: 214 total cpu time spent up to now is 57.9 secs Computing kpt #: 215 total cpu time spent up to now is 58.2 secs Computing kpt #: 216 total cpu time spent up to now is 58.5 secs Computing kpt #: 217 total cpu time spent up to now is 58.7 secs Computing kpt #: 218 total cpu time spent up to now is 59.0 secs Computing kpt #: 219 total cpu time spent up to now is 59.3 secs Computing kpt #: 220 total cpu time spent up to now is 59.5 secs Computing kpt #: 221 total cpu time spent up to now is 59.8 secs Computing kpt #: 222 total cpu time spent up to now is 60.1 secs Computing kpt #: 223 total cpu time spent up to now is 60.3 secs Computing kpt #: 224 total cpu time spent up to now is 60.6 secs Computing kpt #: 225 total cpu time spent up to now is 60.8 secs Computing kpt #: 226 total cpu time spent up to now is 61.1 secs Computing kpt #: 227 total cpu time spent up to now is 61.4 secs Computing kpt #: 228 total cpu time spent up to now is 61.6 secs Computing kpt #: 229 total cpu time spent up to now is 61.9 secs Computing kpt #: 230 total cpu time spent up to now is 62.1 secs Computing kpt #: 231 total cpu time spent up to now is 62.4 secs Computing kpt #: 232 total cpu time spent up to now is 62.6 secs Computing kpt #: 233 total cpu time spent up to now is 62.9 secs Computing kpt #: 234 total cpu time spent up to now is 63.1 secs Computing kpt #: 235 total cpu time spent up to now is 63.4 secs Computing kpt #: 236 total cpu time spent up to now is 63.7 secs Computing kpt #: 237 total cpu time spent up to now is 63.9 secs Computing kpt #: 238 total cpu time spent up to now is 64.2 secs Computing kpt #: 239 total cpu time spent up to now is 64.4 secs Computing kpt #: 240 total cpu time spent up to now is 64.7 secs Computing kpt #: 241 total cpu time spent up to now is 65.0 secs Computing kpt #: 242 total cpu time spent up to now is 65.2 secs Computing kpt #: 243 total cpu time spent up to now is 65.5 secs Computing kpt #: 244 total cpu time spent up to now is 65.8 secs Computing kpt #: 245 total cpu time spent up to now is 66.0 secs Computing kpt #: 246 total cpu time spent up to now is 66.3 secs Computing kpt #: 247 total cpu time spent up to now is 66.6 secs Computing kpt #: 248 total cpu time spent up to now is 66.8 secs Computing kpt #: 249 total cpu time spent up to now is 67.1 secs Computing kpt #: 250 total cpu time spent up to now is 67.4 secs Computing kpt #: 251 total cpu time spent up to now is 67.6 secs Computing kpt #: 252 total cpu time spent up to now is 67.9 secs Computing kpt #: 253 total cpu time spent up to now is 68.2 secs Computing kpt #: 254 total cpu time spent up to now is 68.4 secs Computing kpt #: 255 total cpu time spent up to now is 68.7 secs Computing kpt #: 256 total cpu time spent up to now is 69.0 secs Computing kpt #: 257 total cpu time spent up to now is 69.2 secs Computing kpt #: 258 total cpu time spent up to now is 69.5 secs Computing kpt #: 259 total cpu time spent up to now is 69.8 secs Computing kpt #: 260 total cpu time spent up to now is 70.0 secs Computing kpt #: 261 total cpu time spent up to now is 70.3 secs Computing kpt #: 262 total cpu time spent up to now is 70.5 secs Computing kpt #: 263 total cpu time spent up to now is 70.8 secs Computing kpt #: 264 total cpu time spent up to now is 71.1 secs Computing kpt #: 265 total cpu time spent up to now is 71.3 secs Computing kpt #: 266 total cpu time spent up to now is 71.6 secs Computing kpt #: 267 total cpu time spent up to now is 71.9 secs Computing kpt #: 268 total cpu time spent up to now is 72.1 secs Computing kpt #: 269 total cpu time spent up to now is 72.4 secs Computing kpt #: 270 total cpu time spent up to now is 72.6 secs Computing kpt #: 271 total cpu time spent up to now is 72.9 secs Computing kpt #: 272 total cpu time spent up to now is 73.2 secs Computing kpt #: 273 total cpu time spent up to now is 73.4 secs Computing kpt #: 274 total cpu time spent up to now is 73.7 secs Computing kpt #: 275 total cpu time spent up to now is 73.9 secs Computing kpt #: 276 total cpu time spent up to now is 74.2 secs Computing kpt #: 277 total cpu time spent up to now is 74.4 secs Computing kpt #: 278 total cpu time spent up to now is 74.7 secs Computing kpt #: 279 total cpu time spent up to now is 74.9 secs Computing kpt #: 280 total cpu time spent up to now is 75.2 secs Computing kpt #: 281 total cpu time spent up to now is 75.4 secs Computing kpt #: 282 total cpu time spent up to now is 75.7 secs Computing kpt #: 283 total cpu time spent up to now is 76.0 secs Computing kpt #: 284 total cpu time spent up to now is 76.2 secs Computing kpt #: 285 total cpu time spent up to now is 76.5 secs Computing kpt #: 286 total cpu time spent up to now is 76.7 secs Computing kpt #: 287 total cpu time spent up to now is 77.0 secs Computing kpt #: 288 total cpu time spent up to now is 77.2 secs Computing kpt #: 289 total cpu time spent up to now is 77.5 secs Computing kpt #: 290 total cpu time spent up to now is 77.7 secs Computing kpt #: 291 total cpu time spent up to now is 78.0 secs Computing kpt #: 292 total cpu time spent up to now is 78.3 secs Computing kpt #: 293 total cpu time spent up to now is 78.5 secs Computing kpt #: 294 total cpu time spent up to now is 78.8 secs Computing kpt #: 295 total cpu time spent up to now is 79.0 secs Computing kpt #: 296 total cpu time spent up to now is 79.3 secs Computing kpt #: 297 total cpu time spent up to now is 79.5 secs Computing kpt #: 298 total cpu time spent up to now is 79.8 secs Computing kpt #: 299 total cpu time spent up to now is 80.1 secs Computing kpt #: 300 total cpu time spent up to now is 80.3 secs Computing kpt #: 301 total cpu time spent up to now is 80.6 secs Computing kpt #: 302 total cpu time spent up to now is 80.9 secs Computing kpt #: 303 total cpu time spent up to now is 81.1 secs Computing kpt #: 304 total cpu time spent up to now is 81.4 secs Computing kpt #: 305 total cpu time spent up to now is 81.7 secs Computing kpt #: 306 total cpu time spent up to now is 81.9 secs Computing kpt #: 307 total cpu time spent up to now is 82.2 secs Computing kpt #: 308 total cpu time spent up to now is 82.5 secs Computing kpt #: 309 total cpu time spent up to now is 82.8 secs Computing kpt #: 310 total cpu time spent up to now is 83.0 secs Computing kpt #: 311 total cpu time spent up to now is 83.3 secs Computing kpt #: 312 total cpu time spent up to now is 83.6 secs Computing kpt #: 313 total cpu time spent up to now is 83.9 secs Computing kpt #: 314 total cpu time spent up to now is 84.2 secs Computing kpt #: 315 total cpu time spent up to now is 84.5 secs Computing kpt #: 316 total cpu time spent up to now is 84.9 secs Computing kpt #: 317 total cpu time spent up to now is 85.2 secs Computing kpt #: 318 total cpu time spent up to now is 85.5 secs Computing kpt #: 319 total cpu time spent up to now is 85.8 secs Computing kpt #: 320 total cpu time spent up to now is 86.0 secs Computing kpt #: 321 total cpu time spent up to now is 86.3 secs Computing kpt #: 322 total cpu time spent up to now is 86.5 secs Computing kpt #: 323 total cpu time spent up to now is 86.8 secs Computing kpt #: 324 total cpu time spent up to now is 87.0 secs Computing kpt #: 325 total cpu time spent up to now is 87.3 secs Computing kpt #: 326 total cpu time spent up to now is 87.5 secs Computing kpt #: 327 total cpu time spent up to now is 87.7 secs Computing kpt #: 328 total cpu time spent up to now is 88.0 secs Computing kpt #: 329 total cpu time spent up to now is 88.3 secs Computing kpt #: 330 total cpu time spent up to now is 88.5 secs Computing kpt #: 331 total cpu time spent up to now is 88.8 secs Computing kpt #: 332 total cpu time spent up to now is 89.0 secs Computing kpt #: 333 total cpu time spent up to now is 89.3 secs Computing kpt #: 334 total cpu time spent up to now is 89.5 secs Computing kpt #: 335 total cpu time spent up to now is 89.8 secs Computing kpt #: 336 total cpu time spent up to now is 90.0 secs Computing kpt #: 337 total cpu time spent up to now is 90.3 secs Computing kpt #: 338 total cpu time spent up to now is 90.6 secs Computing kpt #: 339 total cpu time spent up to now is 90.8 secs Computing kpt #: 340 total cpu time spent up to now is 91.1 secs Computing kpt #: 341 total cpu time spent up to now is 91.3 secs Computing kpt #: 342 total cpu time spent up to now is 91.6 secs Computing kpt #: 343 total cpu time spent up to now is 91.9 secs Computing kpt #: 344 total cpu time spent up to now is 92.1 secs Computing kpt #: 345 total cpu time spent up to now is 92.4 secs Computing kpt #: 346 total cpu time spent up to now is 92.6 secs Computing kpt #: 347 total cpu time spent up to now is 92.9 secs Computing kpt #: 348 total cpu time spent up to now is 93.1 secs Computing kpt #: 349 total cpu time spent up to now is 93.3 secs Computing kpt #: 350 total cpu time spent up to now is 93.6 secs Computing kpt #: 351 total cpu time spent up to now is 93.8 secs Computing kpt #: 352 total cpu time spent up to now is 94.1 secs Computing kpt #: 353 total cpu time spent up to now is 94.3 secs Computing kpt #: 354 total cpu time spent up to now is 94.6 secs Computing kpt #: 355 total cpu time spent up to now is 94.8 secs Computing kpt #: 356 total cpu time spent up to now is 95.1 secs Computing kpt #: 357 total cpu time spent up to now is 95.3 secs Computing kpt #: 358 total cpu time spent up to now is 95.6 secs Computing kpt #: 359 total cpu time spent up to now is 95.8 secs Computing kpt #: 360 total cpu time spent up to now is 96.1 secs Computing kpt #: 361 total cpu time spent up to now is 96.4 secs Computing kpt #: 362 total cpu time spent up to now is 96.6 secs Computing kpt #: 363 total cpu time spent up to now is 96.9 secs Computing kpt #: 364 total cpu time spent up to now is 97.2 secs Computing kpt #: 365 total cpu time spent up to now is 97.4 secs Computing kpt #: 366 total cpu time spent up to now is 97.7 secs Computing kpt #: 367 total cpu time spent up to now is 97.9 secs Computing kpt #: 368 total cpu time spent up to now is 98.2 secs Computing kpt #: 369 total cpu time spent up to now is 98.5 secs Computing kpt #: 370 total cpu time spent up to now is 98.7 secs Computing kpt #: 371 total cpu time spent up to now is 99.0 secs Computing kpt #: 372 total cpu time spent up to now is 99.3 secs Computing kpt #: 373 total cpu time spent up to now is 99.5 secs ethr = 2.50E-08, avg # of iterations = 15.0 total cpu time spent up to now is 99.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3519 PWs) bands (ev): -15.8423 -15.8423 -15.6357 -15.6357 -5.2077 -5.2077 -5.2064 -5.2064 -5.1938 -5.1938 -5.0679 -5.0679 -3.0938 -3.0938 -3.0890 -3.0890 -3.0699 -3.0699 -2.9725 -2.9725 -2.8841 -2.8841 -2.8397 -2.8397 0.6336 0.6336 0.9548 0.9548 2.1518 2.1518 2.4530 2.4530 2.5467 2.5467 2.9793 2.9793 3.0413 3.0413 4.7316 4.7316 8.8576 8.8576 12.4928 12.4928 13.0053 13.0053 13.6692 13.6692 k = 0.0000 0.0119-0.0000 ( 3519 PWs) bands (ev): -15.8422 -15.8422 -15.6358 -15.6358 -5.2077 -5.2077 -5.2064 -5.2064 -5.1938 -5.1938 -5.0679 -5.0679 -3.0937 -3.0937 -3.0889 -3.0889 -3.0699 -3.0699 -2.9726 -2.9726 -2.8842 -2.8842 -2.8398 -2.8398 0.6336 0.6336 0.9540 0.9540 2.1511 2.1511 2.4536 2.4536 2.5473 2.5473 2.9805 2.9805 3.0425 3.0425 4.7320 4.7320 8.8591 8.8591 12.4853 12.4853 13.0019 13.0019 13.6585 13.6585 k = 0.0000 0.0238-0.0000 ( 3521 PWs) bands (ev): -15.8419 -15.8419 -15.6358 -15.6358 -5.2076 -5.2076 -5.2063 -5.2063 -5.1937 -5.1937 -5.0681 -5.0681 -3.0935 -3.0935 -3.0887 -3.0887 -3.0698 -3.0698 -2.9729 -2.9729 -2.8843 -2.8843 -2.8404 -2.8404 0.6334 0.6334 0.9518 0.9518 2.1492 2.1492 2.4555 2.4555 2.5490 2.5490 2.9842 2.9842 3.0462 3.0462 4.7333 4.7333 8.8635 8.8635 12.4626 12.4626 12.9919 12.9919 13.6287 13.6287 k = 0.0000 0.0357-0.0000 ( 3519 PWs) bands (ev): -15.8413 -15.8413 -15.6360 -15.6360 -5.2074 -5.2074 -5.2060 -5.2060 -5.1936 -5.1936 -5.0683 -5.0683 -3.0932 -3.0932 -3.0882 -3.0882 -3.0696 -3.0696 -2.9735 -2.9735 -2.8845 -2.8845 -2.8412 -2.8412 0.6332 0.6332 0.9481 0.9481 2.1461 2.1461 2.4586 2.4586 2.5519 2.5519 2.9895 2.9895 3.0528 3.0528 4.7353 4.7353 8.8709 8.8709 12.4239 12.4239 12.9753 12.9753 13.5850 13.5850 k = 0.0000 0.0476-0.0000 ( 3526 PWs) bands (ev): -15.8404 -15.8404 -15.6361 -15.6361 -5.2074 -5.2074 -5.2058 -5.2058 -5.1933 -5.1933 -5.0687 -5.0687 -3.0929 -3.0929 -3.0874 -3.0874 -3.0693 -3.0693 -2.9743 -2.9743 -2.8847 -2.8847 -2.8424 -2.8424 0.6328 0.6328 0.9431 0.9431 2.1420 2.1420 2.4631 2.4631 2.5560 2.5560 2.9959 2.9959 3.0628 3.0628 4.7382 4.7382 8.8811 8.8811 12.3683 12.3683 12.9523 12.9523 13.5340 13.5340 k = 0.0000 0.0595-0.0000 ( 3524 PWs) bands (ev): -15.8394 -15.8394 -15.6364 -15.6364 -5.2073 -5.2073 -5.2053 -5.2053 -5.1931 -5.1931 -5.0691 -5.0691 -3.0926 -3.0926 -3.0864 -3.0864 -3.0690 -3.0690 -2.9753 -2.9753 -2.8850 -2.8850 -2.8438 -2.8438 0.6323 0.6323 0.9366 0.9366 2.1372 2.1372 2.4688 2.4688 2.5612 2.5612 3.0025 3.0025 3.0768 3.0768 4.7419 4.7419 8.8943 8.8943 12.2955 12.2955 12.9230 12.9230 13.4816 13.4816 k = 0.0000 0.0714-0.0000 ( 3524 PWs) bands (ev): -15.8381 -15.8381 -15.6366 -15.6366 -5.2073 -5.2073 -5.2046 -5.2046 -5.1928 -5.1928 -5.0696 -5.0696 -3.0922 -3.0922 -3.0851 -3.0851 -3.0686 -3.0686 -2.9765 -2.9765 -2.8854 -2.8854 -2.8456 -2.8456 0.6315 0.6315 0.9289 0.9289 2.1321 2.1321 2.4757 2.4757 2.5674 2.5674 3.0089 3.0089 3.0947 3.0947 4.7463 4.7463 8.9103 8.9103 12.2058 12.2058 12.8871 12.8871 13.4321 13.4321 k = 0.0000 0.0833-0.0000 ( 3520 PWs) bands (ev): -15.8366 -15.8366 -15.6370 -15.6370 -5.2073 -5.2073 -5.2037 -5.2037 -5.1924 -5.1924 -5.0702 -5.0702 -3.0919 -3.0919 -3.0835 -3.0835 -3.0681 -3.0681 -2.9779 -2.9779 -2.8859 -2.8859 -2.8476 -2.8476 0.6305 0.6305 0.9200 0.9200 2.1269 2.1269 2.4839 2.4839 2.5747 2.5747 3.0150 3.0150 3.1165 3.1165 4.7515 4.7515 8.9291 8.9291 12.1008 12.1008 12.8438 12.8438 13.3882 13.3882 k = 0.0000 0.0952-0.0000 ( 3524 PWs) bands (ev): -15.8349 -15.8349 -15.6373 -15.6373 -5.2073 -5.2073 -5.2028 -5.2028 -5.1920 -5.1920 -5.0709 -5.0709 -3.0916 -3.0916 -3.0817 -3.0817 -3.0676 -3.0676 -2.9794 -2.9794 -2.8864 -2.8864 -2.8499 -2.8499 0.6293 0.6293 0.9099 0.9099 2.1221 2.1221 2.4933 2.4933 2.5829 2.5829 3.0209 3.0209 3.1415 3.1415 4.7575 4.7575 8.9507 8.9507 11.9825 11.9825 12.7922 12.7922 13.3510 13.3510 k = 0.0000 0.1071-0.0000 ( 3516 PWs) bands (ev): -15.8329 -15.8329 -15.6378 -15.6378 -5.2073 -5.2073 -5.2017 -5.2017 -5.1916 -5.1916 -5.0716 -5.0716 -3.0913 -3.0913 -3.0796 -3.0796 -3.0669 -3.0669 -2.9810 -2.9810 -2.8871 -2.8871 -2.8524 -2.8524 0.6277 0.6277 0.8989 0.8989 2.1178 2.1178 2.5038 2.5038 2.5920 2.5920 3.0266 3.0266 3.1693 3.1693 4.7642 4.7642 8.9748 8.9748 11.8536 11.8536 12.7313 12.7313 13.3210 13.3210 k = 0.0000 0.1190-0.0000 ( 3520 PWs) bands (ev): -15.8308 -15.8308 -15.6383 -15.6383 -5.2074 -5.2074 -5.2005 -5.2005 -5.1913 -5.1913 -5.0725 -5.0725 -3.0911 -3.0911 -3.0773 -3.0773 -3.0663 -3.0663 -2.9828 -2.9828 -2.8879 -2.8879 -2.8552 -2.8552 0.6257 0.6257 0.8869 0.8869 2.1145 2.1145 2.5154 2.5154 2.6019 2.6019 3.0324 3.0324 3.1995 3.1995 4.7716 4.7716 9.0014 9.0014 11.7167 11.7167 12.6603 12.6603 13.2978 13.2978 k = 0.0000 0.1310-0.0000 ( 3530 PWs) bands (ev): -15.8285 -15.8285 -15.6389 -15.6389 -5.2074 -5.2074 -5.1992 -5.1992 -5.1909 -5.1909 -5.0734 -5.0734 -3.0909 -3.0909 -3.0750 -3.0750 -3.0655 -3.0655 -2.9846 -2.9846 -2.8887 -2.8887 -2.8581 -2.8581 0.6233 0.6233 0.8741 0.8741 2.1123 2.1123 2.5280 2.5280 2.6126 2.6126 3.0382 3.0382 3.2318 3.2318 4.7796 4.7796 9.0305 9.0305 11.5742 11.5742 12.5786 12.5786 13.2809 13.2809 k = 0.0000 0.1429-0.0000 ( 3528 PWs) bands (ev): -15.8259 -15.8259 -15.6395 -15.6395 -5.2075 -5.2075 -5.1978 -5.1978 -5.1904 -5.1904 -5.0744 -5.0744 -3.0907 -3.0907 -3.0725 -3.0725 -3.0644 -3.0644 -2.9864 -2.9864 -2.8898 -2.8898 -2.8611 -2.8611 0.6205 0.6205 0.8607 0.8607 2.1116 2.1116 2.5414 2.5414 2.6240 2.6240 3.0442 3.0442 3.2658 3.2658 4.7882 4.7882 9.0616 9.0616 11.4283 11.4283 12.4864 12.4864 13.2694 13.2694 k = 0.0000 0.1548-0.0000 ( 3528 PWs) bands (ev): -15.8232 -15.8232 -15.6402 -15.6402 -5.2075 -5.2075 -5.1964 -5.1964 -5.1900 -5.1900 -5.0755 -5.0755 -3.0905 -3.0905 -3.0702 -3.0702 -3.0631 -3.0631 -2.9883 -2.9883 -2.8909 -2.8909 -2.8643 -2.8643 0.6172 0.6172 0.8466 0.8466 2.1126 2.1126 2.5556 2.5556 2.6359 2.6359 3.0502 3.0502 3.3013 3.3013 4.7973 4.7973 9.0947 9.0947 11.2808 11.2808 12.3839 12.3839 13.2625 13.2625 k = 0.0000 0.1667-0.0000 ( 3524 PWs) bands (ev): -15.8203 -15.8203 -15.6410 -15.6410 -5.2075 -5.2075 -5.1948 -5.1948 -5.1896 -5.1896 -5.0767 -5.0767 -3.0904 -3.0904 -3.0683 -3.0683 -3.0612 -3.0612 -2.9900 -2.9900 -2.8923 -2.8923 -2.8675 -2.8675 0.6135 0.6135 0.8320 0.8320 2.1154 2.1154 2.5705 2.5705 2.6484 2.6484 3.0564 3.0564 3.3381 3.3381 4.8069 4.8069 9.1294 9.1294 11.1333 11.1333 12.2719 12.2719 13.2595 13.2595 k = 0.0000 0.1786-0.0000 ( 3526 PWs) bands (ev): -15.8172 -15.8172 -15.6418 -15.6418 -5.2074 -5.2074 -5.1933 -5.1933 -5.1892 -5.1892 -5.0779 -5.0779 -3.0903 -3.0903 -3.0669 -3.0669 -3.0587 -3.0587 -2.9917 -2.9917 -2.8939 -2.8939 -2.8707 -2.8707 0.6093 0.6093 0.8171 0.8171 2.1201 2.1201 2.5859 2.5859 2.6614 2.6614 3.0625 3.0625 3.3760 3.3760 4.8170 4.8170 9.1652 9.1652 10.9875 10.9875 12.1513 12.1513 13.2596 13.2596 k = 0.0000 0.1905-0.0000 ( 3520 PWs) bands (ev): -15.8139 -15.8139 -15.6428 -15.6428 -5.2074 -5.2074 -5.1919 -5.1919 -5.1885 -5.1885 -5.0792 -5.0792 -3.0903 -3.0903 -3.0660 -3.0660 -3.0557 -3.0557 -2.9933 -2.9933 -2.8957 -2.8957 -2.8738 -2.8738 0.6046 0.6046 0.8019 0.8019 2.1268 2.1268 2.6017 2.6017 2.6747 2.6747 3.0687 3.0687 3.4150 3.4150 4.8273 4.8273 9.2015 9.2015 10.8449 10.8449 12.0231 12.0231 13.2622 13.2622 k = 0.0000 0.2024-0.0000 ( 3524 PWs) bands (ev): -15.8105 -15.8105 -15.6438 -15.6438 -5.2074 -5.2074 -5.1908 -5.1908 -5.1876 -5.1876 -5.0805 -5.0805 -3.0903 -3.0903 -3.0653 -3.0653 -3.0524 -3.0524 -2.9946 -2.9946 -2.8978 -2.8978 -2.8768 -2.8768 0.5995 0.5995 0.7864 0.7864 2.1356 2.1356 2.6177 2.6177 2.6884 2.6884 3.0749 3.0749 3.4547 3.4547 4.8378 4.8378 9.2373 9.2373 10.7073 10.7073 11.8885 11.8885 13.2669 13.2669 k = 0.0000 0.2143-0.0000 ( 3530 PWs) bands (ev): -15.8070 -15.8070 -15.6449 -15.6449 -5.2074 -5.2074 -5.1901 -5.1901 -5.1863 -5.1863 -5.0820 -5.0820 -3.0905 -3.0905 -3.0648 -3.0648 -3.0490 -3.0490 -2.9958 -2.9958 -2.9003 -2.9003 -2.8796 -2.8796 0.5940 0.5940 0.7709 0.7709 2.1464 2.1464 2.6339 2.6339 2.7025 2.7025 3.0810 3.0810 3.4953 3.4953 4.8485 4.8485 9.2714 9.2714 10.5766 10.5766 11.7486 11.7486 13.2729 13.2729 k = 0.0000 0.2262-0.0000 ( 3524 PWs) bands (ev): -15.8033 -15.8033 -15.6461 -15.6461 -5.2073 -5.2073 -5.1897 -5.1897 -5.1846 -5.1846 -5.0834 -5.0834 -3.0906 -3.0906 -3.0645 -3.0645 -3.0455 -3.0455 -2.9966 -2.9966 -2.9030 -2.9030 -2.8821 -2.8821 0.5882 0.5882 0.7553 0.7553 2.1593 2.1593 2.6499 2.6499 2.7169 2.7169 3.0869 3.0869 3.5365 3.5365 4.8591 4.8591 9.3019 9.3019 10.4554 10.4554 11.6047 11.6047 13.2797 13.2797 k = 0.0000 0.2381-0.0000 ( 3532 PWs) bands (ev): -15.7995 -15.7995 -15.6474 -15.6474 -5.2072 -5.2072 -5.1896 -5.1896 -5.1827 -5.1827 -5.0850 -5.0850 -3.0909 -3.0909 -3.0644 -3.0644 -3.0421 -3.0421 -2.9970 -2.9970 -2.9060 -2.9060 -2.8845 -2.8845 0.5821 0.5821 0.7398 0.7398 2.1742 2.1742 2.6657 2.6657 2.7317 2.7317 3.0927 3.0927 3.5785 3.5785 4.8696 4.8696 9.3259 9.3259 10.3471 10.3471 11.4578 11.4578 13.2860 13.2860 k = 0.0000 0.2500-0.0000 ( 3528 PWs) bands (ev): -15.7955 -15.7955 -15.6488 -15.6488 -5.2071 -5.2071 -5.1895 -5.1895 -5.1807 -5.1807 -5.0865 -5.0865 -3.0912 -3.0912 -3.0645 -3.0645 -3.0387 -3.0387 -2.9969 -2.9969 -2.9093 -2.9093 -2.8867 -2.8867 0.5758 0.5758 0.7244 0.7244 2.1909 2.1909 2.6809 2.6809 2.7469 2.7469 3.0982 3.0982 3.6210 3.6210 4.8797 4.8797 9.3397 9.3397 10.2558 10.2558 11.3089 11.3089 13.2902 13.2902 k = 0.0000 0.2619-0.0000 ( 3528 PWs) bands (ev): -15.7915 -15.7915 -15.6504 -15.6504 -5.2070 -5.2070 -5.1896 -5.1896 -5.1786 -5.1786 -5.0882 -5.0882 -3.0916 -3.0916 -3.0647 -3.0647 -3.0355 -3.0355 -2.9963 -2.9963 -2.9129 -2.9129 -2.8886 -2.8886 0.5694 0.5694 0.7093 0.7093 2.2094 2.2094 2.6953 2.6953 2.7626 2.7626 3.1034 3.1034 3.6642 3.6642 4.8893 4.8893 9.3391 9.3391 10.1866 10.1866 11.1589 11.1589 13.2887 13.2887 k = 0.0000 0.2738-0.0000 ( 3528 PWs) bands (ev): -15.7874 -15.7874 -15.6520 -15.6520 -5.2069 -5.2069 -5.1897 -5.1897 -5.1765 -5.1765 -5.0899 -5.0899 -3.0921 -3.0921 -3.0651 -3.0651 -3.0326 -3.0326 -2.9951 -2.9951 -2.9165 -2.9165 -2.8904 -2.8904 0.5629 0.5629 0.6943 0.6943 2.2296 2.2296 2.7088 2.7088 2.7787 2.7787 3.1083 3.1083 3.7080 3.7080 4.8981 4.8981 9.3204 9.3204 10.1432 10.1432 11.0087 11.0087 13.2748 13.2748 k = 0.0000 0.2857-0.0000 ( 3528 PWs) bands (ev): -15.7832 -15.7832 -15.6537 -15.6537 -5.2068 -5.2068 -5.1899 -5.1899 -5.1743 -5.1743 -5.0916 -5.0916 -3.0926 -3.0926 -3.0657 -3.0657 -3.0299 -3.0299 -2.9934 -2.9934 -2.9203 -2.9203 -2.8922 -2.8922 0.5564 0.5564 0.6797 0.6797 2.2512 2.2512 2.7211 2.7211 2.7953 2.7953 3.1127 3.1127 3.7523 3.7523 4.9059 4.9059 9.2831 9.2831 10.1270 10.1270 10.8590 10.8590 13.2392 13.2392 k = 0.0000 0.2976-0.0000 ( 3532 PWs) bands (ev): -15.7789 -15.7789 -15.6555 -15.6555 -5.2066 -5.2066 -5.1902 -5.1902 -5.1721 -5.1721 -5.0935 -5.0935 -3.0932 -3.0932 -3.0666 -3.0666 -3.0275 -3.0275 -2.9911 -2.9911 -2.9242 -2.9242 -2.8938 -2.8938 0.5501 0.5501 0.6655 0.6655 2.2742 2.2742 2.7321 2.7321 2.8123 2.8123 3.1167 3.1167 3.7972 3.7972 4.9125 4.9125 9.2301 9.2301 10.1352 10.1352 10.7106 10.7106 13.1791 13.1791 k = 0.0000 0.3095-0.0000 ( 3532 PWs) bands (ev): -15.7745 -15.7745 -15.6575 -15.6575 -5.2065 -5.2065 -5.1905 -5.1905 -5.1698 -5.1698 -5.0953 -5.0953 -3.0938 -3.0938 -3.0675 -3.0675 -3.0252 -3.0252 -2.9883 -2.9883 -2.9281 -2.9281 -2.8954 -2.8954 0.5438 0.5438 0.6517 0.6517 2.2984 2.2984 2.7417 2.7417 2.8297 2.8297 3.1201 3.1201 3.8427 3.8427 4.9175 4.9175 9.1668 9.1668 10.1632 10.1632 10.5639 10.5639 13.1011 13.1011 k = 0.0000 0.3214-0.0000 ( 3532 PWs) bands (ev): -15.7701 -15.7701 -15.6596 -15.6596 -5.2063 -5.2063 -5.1909 -5.1909 -5.1675 -5.1675 -5.0972 -5.0972 -3.0944 -3.0944 -3.0687 -3.0687 -3.0231 -3.0231 -2.9851 -2.9851 -2.9320 -2.9320 -2.8969 -2.8969 0.5379 0.5379 0.6383 0.6383 2.3235 2.3235 2.7500 2.7500 2.8473 2.8473 3.1230 3.1230 3.8888 3.8888 4.9207 4.9207 9.0984 9.0984 10.2060 10.2060 10.4196 10.4196 13.0127 13.0127 k = 0.0000 0.3333-0.0000 ( 3528 PWs) bands (ev): -15.7657 -15.7657 -15.6618 -15.6618 -5.2060 -5.2060 -5.1913 -5.1913 -5.1651 -5.1651 -5.0992 -5.0992 -3.0950 -3.0950 -3.0700 -3.0700 -3.0211 -3.0211 -2.9815 -2.9815 -2.9359 -2.9359 -2.8985 -2.8985 0.5322 0.5322 0.6255 0.6255 2.3493 2.3493 2.7568 2.7568 2.8650 2.8650 3.1252 3.1252 3.9355 3.9355 4.9218 4.9218 9.0292 9.0292 10.2590 10.2590 10.2791 10.2791 12.9184 12.9184 k = 0.0000 0.3452-0.0000 ( 3530 PWs) bands (ev): -15.7612 -15.7612 -15.6641 -15.6641 -5.2058 -5.2058 -5.1918 -5.1918 -5.1628 -5.1628 -5.1012 -5.1012 -3.0956 -3.0956 -3.0715 -3.0715 -3.0192 -3.0192 -2.9778 -2.9778 -2.9398 -2.9398 -2.9000 -2.9000 0.5269 0.5269 0.6132 0.6132 2.3757 2.3757 2.7621 2.7621 2.8827 2.8827 3.1268 3.1268 3.9827 3.9827 4.9205 4.9205 8.9625 8.9625 10.1398 10.1398 10.3224 10.3224 12.8204 12.8204 k = 0.0000 0.3571-0.0000 ( 3528 PWs) bands (ev): -15.7568 -15.7568 -15.6665 -15.6665 -5.2055 -5.2055 -5.1924 -5.1924 -5.1604 -5.1604 -5.1033 -5.1033 -3.0961 -3.0961 -3.0731 -3.0731 -3.0171 -3.0171 -2.9739 -2.9739 -2.9436 -2.9436 -2.9016 -2.9016 0.5221 0.5221 0.6014 0.6014 2.4025 2.4025 2.7659 2.7659 2.9003 2.9003 3.1277 3.1277 4.0305 4.0305 4.9165 4.9165 8.9003 8.9003 10.0055 10.0055 10.3911 10.3911 12.7199 12.7199 k = 0.0000 0.3690-0.0000 ( 3518 PWs) bands (ev): -15.7523 -15.7523 -15.6691 -15.6691 -5.2052 -5.2052 -5.1929 -5.1929 -5.1579 -5.1579 -5.1053 -5.1053 -3.0965 -3.0965 -3.0748 -3.0748 -3.0151 -3.0151 -2.9699 -2.9699 -2.9472 -2.9472 -2.9032 -2.9032 0.5177 0.5177 0.5902 0.5902 2.4294 2.4294 2.7682 2.7682 2.9176 2.9176 3.1278 3.1278 4.0788 4.0788 4.9095 4.9095 8.8446 8.8446 9.8754 9.8754 10.4651 10.4651 12.6175 12.6175 k = 0.0000 0.3810-0.0000 ( 3514 PWs) bands (ev): -15.7478 -15.7478 -15.6718 -15.6718 -5.2049 -5.2049 -5.1935 -5.1935 -5.1555 -5.1555 -5.1075 -5.1075 -3.0969 -3.0969 -3.0765 -3.0765 -3.0130 -3.0130 -2.9661 -2.9661 -2.9507 -2.9507 -2.9049 -2.9049 0.5139 0.5139 0.5797 0.5797 2.4563 2.4563 2.7689 2.7689 2.9346 2.9346 3.1271 3.1271 4.1275 4.1275 4.8993 4.8993 8.7963 8.7963 9.7500 9.7500 10.5433 10.5433 12.5139 12.5139 k = 0.0000 0.3929-0.0000 ( 3510 PWs) bands (ev): -15.7433 -15.7433 -15.6746 -15.6746 -5.2045 -5.2045 -5.1941 -5.1941 -5.1531 -5.1531 -5.1096 -5.1096 -3.0971 -3.0971 -3.0783 -3.0783 -3.0108 -3.0108 -2.9629 -2.9629 -2.9535 -2.9535 -2.9066 -2.9066 0.5106 0.5106 0.5698 0.5698 2.4830 2.4830 2.7680 2.7680 2.9512 2.9512 3.1256 3.1256 4.1767 4.1767 4.8856 4.8856 8.7566 8.7566 9.6295 9.6295 10.6251 10.6251 12.4094 12.4094 k = 0.0000 0.4048-0.0000 ( 3506 PWs) bands (ev): -15.7389 -15.7389 -15.6775 -15.6775 -5.2042 -5.2042 -5.1948 -5.1948 -5.1506 -5.1506 -5.1119 -5.1119 -3.0972 -3.0972 -3.0802 -3.0802 -3.0085 -3.0085 -2.9620 -2.9620 -2.9540 -2.9540 -2.9085 -2.9085 0.5080 0.5080 0.5605 0.5605 2.5092 2.5092 2.7655 2.7655 2.9674 2.9674 3.1232 3.1232 4.2261 4.2261 4.8685 4.8685 8.7260 8.7260 9.5145 9.5145 10.7101 10.7101 12.3043 12.3043 k = 0.0000 0.4167-0.0000 ( 3518 PWs) bands (ev): -15.7345 -15.7345 -15.6806 -15.6806 -5.2037 -5.2037 -5.1955 -5.1955 -5.1481 -5.1481 -5.1142 -5.1142 -3.0972 -3.0972 -3.0820 -3.0820 -3.0061 -3.0061 -2.9642 -2.9642 -2.9515 -2.9515 -2.9105 -2.9105 0.5060 0.5060 0.5518 0.5518 2.5348 2.5348 2.7613 2.7613 2.9830 2.9830 3.1200 3.1200 4.2756 4.2756 4.8476 4.8476 8.7050 8.7050 9.4053 9.4053 10.7979 10.7979 12.1989 12.1989 k = 0.0000 0.4286-0.0000 ( 3520 PWs) bands (ev): -15.7301 -15.7301 -15.6838 -15.6838 -5.2033 -5.2033 -5.1962 -5.1962 -5.1456 -5.1456 -5.1165 -5.1165 -3.0971 -3.0971 -3.0838 -3.0838 -3.0036 -3.0036 -2.9672 -2.9672 -2.9480 -2.9480 -2.9125 -2.9125 0.5046 0.5046 0.5439 0.5439 2.5597 2.5597 2.7554 2.7554 2.9979 2.9979 3.1159 3.1159 4.3251 4.3251 4.8232 4.8232 8.6940 8.6940 9.3023 9.3023 10.8881 10.8881 12.0934 12.0934 k = 0.0000 0.4405-0.0000 ( 3520 PWs) bands (ev): -15.7258 -15.7258 -15.6871 -15.6871 -5.2029 -5.2029 -5.1969 -5.1969 -5.1432 -5.1432 -5.1188 -5.1188 -3.0968 -3.0968 -3.0856 -3.0856 -3.0010 -3.0010 -2.9705 -2.9705 -2.9444 -2.9444 -2.9147 -2.9147 0.5039 0.5039 0.5367 0.5367 2.5836 2.5836 2.7478 2.7478 3.0122 3.0122 3.1109 3.1109 4.3745 4.3745 4.7952 4.7952 8.6930 8.6930 9.2059 9.2059 10.9806 10.9806 11.9880 11.9880 k = 0.0000 0.4524-0.0000 ( 3520 PWs) bands (ev): -15.7215 -15.7215 -15.6905 -15.6905 -5.2024 -5.2024 -5.1975 -5.1975 -5.1407 -5.1407 -5.1212 -5.1212 -3.0963 -3.0963 -3.0873 -3.0873 -2.9983 -2.9983 -2.9738 -2.9738 -2.9409 -2.9409 -2.9170 -2.9170 0.5040 0.5040 0.5302 0.5302 2.6065 2.6065 2.7386 2.7386 3.0258 3.0258 3.1050 3.1050 4.4234 4.4234 4.7639 4.7639 8.7022 8.7022 9.1165 9.1165 11.0751 11.0751 11.8830 11.8830 k = 0.0000 0.4643-0.0000 ( 3516 PWs) bands (ev): -15.7173 -15.7173 -15.6940 -15.6940 -5.2018 -5.2018 -5.1982 -5.1982 -5.1382 -5.1382 -5.1236 -5.1236 -3.0957 -3.0957 -3.0889 -3.0889 -2.9955 -2.9955 -2.9771 -2.9771 -2.9374 -2.9374 -2.9195 -2.9195 0.5047 0.5047 0.5244 0.5244 2.6281 2.6281 2.7276 2.7276 3.0387 3.0387 3.0982 3.0982 4.4716 4.4716 4.7293 4.7293 8.7214 8.7214 9.0346 9.0346 11.1714 11.1714 11.7784 11.7784 k = 0.0000 0.4762-0.0000 ( 3516 PWs) bands (ev): -15.7132 -15.7132 -15.6977 -15.6977 -5.2013 -5.2013 -5.1989 -5.1989 -5.1357 -5.1357 -5.1260 -5.1260 -3.0949 -3.0949 -3.0903 -3.0903 -2.9926 -2.9926 -2.9804 -2.9804 -2.9340 -2.9340 -2.9221 -2.9221 0.5062 0.5062 0.5192 0.5192 2.6485 2.6485 2.7150 2.7150 3.0507 3.0507 3.0904 3.0904 4.5189 4.5189 4.6918 4.6918 8.7506 8.7506 8.9606 8.9606 11.2694 11.2694 11.6746 11.6746 k = 0.0000 0.4881-0.0000 ( 3500 PWs) bands (ev): -15.7092 -15.7092 -15.7014 -15.7014 -5.2007 -5.2007 -5.1995 -5.1995 -5.1332 -5.1332 -5.1284 -5.1284 -3.0940 -3.0940 -3.0917 -3.0917 -2.9896 -2.9896 -2.9835 -2.9835 -2.9307 -2.9307 -2.9248 -2.9248 0.5083 0.5083 0.5149 0.5149 2.6674 2.6674 2.7007 2.7007 3.0620 3.0620 3.0818 3.0818 4.5649 4.5649 4.6517 4.6517 8.7894 8.7894 8.8947 8.8947 11.3689 11.3689 11.5716 11.5716 k = 0.0000 0.5000-0.0000 ( 3500 PWs) bands (ev): -15.7052 -15.7052 -15.7052 -15.7052 -5.2001 -5.2001 -5.2001 -5.2001 -5.1308 -5.1308 -5.1308 -5.1308 -3.0929 -3.0929 -3.0929 -3.0929 -2.9866 -2.9866 -2.9866 -2.9866 -2.9277 -2.9277 -2.9277 -2.9277 0.5113 0.5113 0.5113 0.5113 2.6848 2.6848 2.6848 2.6848 3.0723 3.0723 3.0723 3.0723 4.6093 4.6093 4.6093 4.6093 8.8375 8.8375 8.8375 8.8375 11.4696 11.4696 11.4697 11.4697 k = 0.0000 0.5000-0.0000 ( 3500 PWs) bands (ev): -15.7052 -15.7052 -15.7052 -15.7052 -5.2001 -5.2001 -5.2001 -5.2001 -5.1308 -5.1308 -5.1308 -5.1308 -3.0929 -3.0929 -3.0929 -3.0929 -2.9866 -2.9866 -2.9866 -2.9866 -2.9277 -2.9277 -2.9277 -2.9277 0.5113 0.5113 0.5113 0.5113 2.6848 2.6848 2.6848 2.6848 3.0723 3.0723 3.0723 3.0723 4.6093 4.6093 4.6093 4.6093 8.8375 8.8375 8.8375 8.8375 11.4696 11.4696 11.4697 11.4697 k = 0.0119 0.5000-0.0000 ( 3500 PWs) bands (ev): -15.7052 -15.7052 -15.7052 -15.7052 -5.2002 -5.2002 -5.1998 -5.1998 -5.1315 -5.1315 -5.1300 -5.1300 -3.0934 -3.0934 -3.0920 -3.0920 -2.9872 -2.9872 -2.9863 -2.9863 -2.9278 -2.9278 -2.9271 -2.9271 0.5118 0.5118 0.5127 0.5127 2.6827 2.6827 2.6852 2.6852 3.0715 3.0715 3.0729 3.0729 4.6079 4.6079 4.6096 4.6096 8.8376 8.8376 8.8402 8.8402 11.4605 11.4605 11.4799 11.4799 k = 0.0238 0.5000-0.0000 ( 3504 PWs) bands (ev): -15.7052 -15.7052 -15.7052 -15.7052 -5.2003 -5.2003 -5.1994 -5.1994 -5.1321 -5.1321 -5.1292 -5.1292 -3.0937 -3.0937 -3.0908 -3.0908 -2.9881 -2.9881 -2.9863 -2.9863 -2.9276 -2.9276 -2.9262 -2.9262 0.5144 0.5144 0.5161 0.5161 2.6787 2.6787 2.6837 2.6837 3.0704 3.0704 3.0731 3.0731 4.6055 4.6055 4.6088 4.6088 8.8404 8.8404 8.8456 8.8456 11.4525 11.4525 11.4913 11.4913 k = 0.0357 0.5000-0.0000 ( 3506 PWs) bands (ev): -15.7051 -15.7051 -15.7051 -15.7051 -5.2002 -5.2002 -5.1989 -5.1989 -5.1326 -5.1326 -5.1282 -5.1282 -3.0936 -3.0936 -3.0893 -3.0893 -2.9893 -2.9893 -2.9865 -2.9865 -2.9270 -2.9270 -2.9249 -2.9249 0.5190 0.5190 0.5215 0.5215 2.6730 2.6730 2.6804 2.6804 3.0691 3.0691 3.0729 3.0729 4.6020 4.6020 4.6070 4.6070 8.8458 8.8458 8.8537 8.8537 11.4454 11.4454 11.5039 11.5039 k = 0.0476 0.5000-0.0000 ( 3502 PWs) bands (ev): -15.7050 -15.7050 -15.7050 -15.7050 -5.1999 -5.1999 -5.1982 -5.1982 -5.1329 -5.1329 -5.1272 -5.1272 -3.0932 -3.0932 -3.0873 -3.0873 -2.9907 -2.9907 -2.9869 -2.9869 -2.9260 -2.9260 -2.9233 -2.9233 0.5256 0.5256 0.5290 0.5290 2.6656 2.6656 2.6752 2.6752 3.0677 3.0677 3.0724 3.0724 4.5974 4.5974 4.6042 4.6042 8.8538 8.8538 8.8645 8.8645 11.4392 11.4392 11.5177 11.5177 k = 0.0595 0.5000-0.0000 ( 3506 PWs) bands (ev): -15.7049 -15.7049 -15.7048 -15.7048 -5.1996 -5.1996 -5.1975 -5.1975 -5.1332 -5.1332 -5.1261 -5.1261 -3.0927 -3.0927 -3.0851 -3.0851 -2.9922 -2.9922 -2.9874 -2.9874 -2.9247 -2.9247 -2.9214 -2.9214 0.5342 0.5342 0.5385 0.5385 2.6565 2.6565 2.6681 2.6681 3.0662 3.0662 3.0715 3.0715 4.5917 4.5917 4.6002 4.6002 8.8642 8.8642 8.8777 8.8777 11.4339 11.4339 11.5328 11.5328 k = 0.0714 0.5000-0.0000 ( 3514 PWs) bands (ev): -15.7048 -15.7048 -15.7046 -15.7046 -5.1992 -5.1992 -5.1968 -5.1968 -5.1333 -5.1333 -5.1250 -5.1250 -3.0920 -3.0920 -3.0826 -3.0826 -2.9939 -2.9939 -2.9879 -2.9879 -2.9232 -2.9232 -2.9194 -2.9194 0.5448 0.5448 0.5500 0.5500 2.6458 2.6458 2.6591 2.6591 3.0647 3.0647 3.0703 3.0703 4.5850 4.5850 4.5952 4.5952 8.8769 8.8769 8.8934 8.8934 11.4292 11.4292 11.5490 11.5490 k = 0.0833 0.5000-0.0000 ( 3510 PWs) bands (ev): -15.7046 -15.7046 -15.7044 -15.7044 -5.1986 -5.1986 -5.1959 -5.1959 -5.1333 -5.1333 -5.1237 -5.1237 -3.0911 -3.0911 -3.0798 -3.0798 -2.9956 -2.9956 -2.9884 -2.9884 -2.9214 -2.9214 -2.9171 -2.9171 0.5573 0.5573 0.5635 0.5635 2.6336 2.6336 2.6483 2.6483 3.0631 3.0631 3.0687 3.0687 4.5772 4.5772 4.5890 4.5890 8.8915 8.8915 8.9112 8.9112 11.4250 11.4250 11.5663 11.5663 k = 0.0952 0.5000-0.0000 ( 3512 PWs) bands (ev): -15.7044 -15.7044 -15.7042 -15.7042 -5.1980 -5.1980 -5.1950 -5.1950 -5.1331 -5.1331 -5.1224 -5.1224 -3.0901 -3.0901 -3.0768 -3.0768 -2.9973 -2.9973 -2.9887 -2.9887 -2.9195 -2.9195 -2.9148 -2.9148 0.5718 0.5718 0.5790 0.5790 2.6198 2.6198 2.6357 2.6357 3.0617 3.0617 3.0667 3.0667 4.5682 4.5682 4.5817 4.5817 8.9080 8.9080 8.9311 8.9311 11.4213 11.4213 11.5847 11.5847 k = 0.1071 0.5000-0.0000 ( 3514 PWs) bands (ev): -15.7041 -15.7041 -15.7040 -15.7040 -5.1973 -5.1973 -5.1941 -5.1941 -5.1328 -5.1328 -5.1210 -5.1210 -3.0891 -3.0891 -3.0736 -3.0736 -2.9989 -2.9989 -2.9887 -2.9887 -2.9175 -2.9175 -2.9124 -2.9124 0.5883 0.5883 0.5966 0.5966 2.6046 2.6046 2.6214 2.6214 3.0603 3.0603 3.0644 3.0644 4.5581 4.5581 4.5734 4.5734 8.9261 8.9261 8.9528 8.9528 11.4177 11.4177 11.6040 11.6040 k = 0.1190 0.5000-0.0000 ( 3518 PWs) bands (ev): -15.7039 -15.7039 -15.7037 -15.7037 -5.1965 -5.1965 -5.1932 -5.1932 -5.1323 -5.1323 -5.1196 -5.1196 -3.0881 -3.0881 -3.0702 -3.0702 -3.0004 -3.0004 -2.9885 -2.9885 -2.9153 -2.9153 -2.9099 -2.9099 0.6067 0.6067 0.6161 0.6161 2.5881 2.5881 2.6054 2.6054 3.0589 3.0589 3.0618 3.0618 4.5468 4.5468 4.5638 4.5638 8.9454 8.9454 8.9760 8.9760 11.4141 11.4141 11.6240 11.6240 k = 0.1310 0.5000-0.0000 ( 3520 PWs) bands (ev): -15.7036 -15.7036 -15.7034 -15.7034 -5.1956 -5.1956 -5.1923 -5.1923 -5.1316 -5.1316 -5.1181 -5.1181 -3.0872 -3.0872 -3.0669 -3.0669 -3.0015 -3.0015 -2.9878 -2.9878 -2.9132 -2.9132 -2.9074 -2.9074 0.6270 0.6270 0.6376 0.6376 2.5703 2.5703 2.5880 2.5880 3.0576 3.0576 3.0588 3.0588 4.5344 4.5344 4.5531 4.5531 8.9656 8.9656 9.0004 9.0004 11.4104 11.4104 11.6444 11.6444 k = 0.1429 0.5000-0.0000 ( 3516 PWs) bands (ev): -15.7033 -15.7033 -15.7031 -15.7031 -5.1947 -5.1947 -5.1914 -5.1914 -5.1307 -5.1307 -5.1165 -5.1165 -3.0865 -3.0865 -3.0637 -3.0637 -3.0022 -3.0022 -2.9867 -2.9867 -2.9109 -2.9109 -2.9050 -2.9050 0.6493 0.6493 0.6611 0.6611 2.5513 2.5513 2.5692 2.5692 3.0555 3.0555 3.0563 3.0563 4.5209 4.5209 4.5413 4.5413 8.9864 8.9864 9.0258 9.0258 11.4061 11.4061 11.6647 11.6647 k = 0.1548 0.5000-0.0000 ( 3516 PWs) bands (ev): -15.7029 -15.7029 -15.7027 -15.7027 -5.1938 -5.1938 -5.1905 -5.1905 -5.1296 -5.1296 -5.1149 -5.1149 -3.0859 -3.0859 -3.0607 -3.0607 -3.0024 -3.0024 -2.9852 -2.9852 -2.9087 -2.9087 -2.9025 -2.9025 0.6735 0.6735 0.6866 0.6866 2.5313 2.5313 2.5491 2.5491 3.0518 3.0518 3.0549 3.0549 4.5061 4.5061 4.5283 4.5283 9.0075 9.0075 9.0518 9.0518 11.4012 11.4012 11.6842 11.6842 k = 0.1667 0.5000-0.0000 ( 3528 PWs) bands (ev): -15.7026 -15.7026 -15.7024 -15.7024 -5.1930 -5.1930 -5.1898 -5.1898 -5.1284 -5.1284 -5.1132 -5.1132 -3.0855 -3.0855 -3.0582 -3.0582 -3.0019 -3.0019 -2.9831 -2.9831 -2.9065 -2.9065 -2.9001 -2.9001 0.6995 0.6995 0.7140 0.7140 2.5103 2.5103 2.5280 2.5280 3.0477 3.0477 3.0535 3.0535 4.4902 4.4902 4.5141 4.5141 9.0284 9.0284 9.0781 9.0781 11.3954 11.3954 11.7018 11.7018 k = 0.1786 0.5000-0.0000 ( 3520 PWs) bands (ev): -15.7022 -15.7022 -15.7020 -15.7020 -5.1920 -5.1920 -5.1890 -5.1890 -5.1270 -5.1270 -5.1114 -5.1114 -3.0853 -3.0853 -3.0561 -3.0561 -3.0006 -3.0006 -2.9806 -2.9806 -2.9042 -2.9042 -2.8978 -2.8978 0.7274 0.7274 0.7434 0.7434 2.4886 2.4886 2.5060 2.5060 3.0431 3.0431 3.0518 3.0518 4.4731 4.4731 4.4987 4.4987 9.0488 9.0488 9.1042 9.1042 11.3884 11.3884 11.7161 11.7161 k = 0.1905 0.5000-0.0000 ( 3528 PWs) bands (ev): -15.7019 -15.7019 -15.7016 -15.7016 -5.1912 -5.1912 -5.1884 -5.1884 -5.1254 -5.1254 -5.1096 -5.1096 -3.0854 -3.0854 -3.0548 -3.0548 -2.9984 -2.9984 -2.9776 -2.9776 -2.9020 -2.9020 -2.8955 -2.8955 0.7571 0.7571 0.7746 0.7746 2.4661 2.4661 2.4832 2.4832 3.0381 3.0381 3.0499 3.0499 4.4549 4.4549 4.4822 4.4822 9.0682 9.0682 9.1298 9.1298 11.3801 11.3801 11.7244 11.7244 k = 0.2024 0.5000-0.0000 ( 3532 PWs) bands (ev): -15.7015 -15.7015 -15.7012 -15.7012 -5.1903 -5.1903 -5.1878 -5.1878 -5.1236 -5.1236 -5.1077 -5.1077 -3.0856 -3.0856 -3.0541 -3.0541 -2.9953 -2.9953 -2.9741 -2.9741 -2.8999 -2.8999 -2.8933 -2.8933 0.7885 0.7885 0.8077 0.8077 2.4431 2.4431 2.4598 2.4598 3.0325 3.0325 3.0476 3.0476 4.4356 4.4356 4.4646 4.4646 9.0864 9.0864 9.1544 9.1544 11.3704 11.3704 11.7236 11.7236 k = 0.2143 0.5000-0.0000 ( 3536 PWs) bands (ev): -15.7011 -15.7011 -15.7008 -15.7008 -5.1895 -5.1895 -5.1873 -5.1873 -5.1217 -5.1217 -5.1058 -5.1058 -3.0860 -3.0860 -3.0540 -3.0540 -2.9914 -2.9914 -2.9702 -2.9702 -2.8977 -2.8977 -2.8912 -2.8912 0.8217 0.8217 0.8425 0.8425 2.4197 2.4197 2.4360 2.4360 3.0263 3.0263 3.0449 3.0449 4.4152 4.4152 4.4459 4.4459 9.1029 9.1029 9.1778 9.1778 11.3593 11.3593 11.7099 11.7099 k = 0.2262 0.5000-0.0000 ( 3532 PWs) bands (ev): -15.7007 -15.7007 -15.7004 -15.7004 -5.1887 -5.1887 -5.1868 -5.1868 -5.1197 -5.1197 -5.1039 -5.1039 -3.0866 -3.0866 -3.0544 -3.0544 -2.9868 -2.9868 -2.9659 -2.9659 -2.8957 -2.8957 -2.8892 -2.8892 0.8566 0.8566 0.8792 0.8792 2.3960 2.3960 2.4120 2.4120 3.0194 3.0194 3.0416 3.0416 4.3938 4.3938 4.4261 4.4261 9.1175 9.1175 9.1993 9.1993 11.3469 11.3469 11.6809 11.6809 k = 0.2381 0.5000-0.0000 ( 3532 PWs) bands (ev): -15.7003 -15.7003 -15.7000 -15.7000 -5.1879 -5.1879 -5.1864 -5.1864 -5.1176 -5.1176 -5.1020 -5.1020 -3.0872 -3.0872 -3.0553 -3.0553 -2.9816 -2.9816 -2.9614 -2.9614 -2.8936 -2.8936 -2.8874 -2.8874 0.8931 0.8931 0.9175 0.9175 2.3722 2.3722 2.3879 2.3879 3.0118 3.0118 3.0375 3.0375 4.3715 4.3715 4.4054 4.4054 9.1297 9.1297 9.2186 9.2186 11.3334 11.3334 11.6373 11.6373 k = 0.2500 0.5000-0.0000 ( 3522 PWs) bands (ev): -15.6998 -15.6998 -15.6996 -15.6996 -5.1872 -5.1872 -5.1861 -5.1861 -5.1153 -5.1153 -5.1000 -5.1000 -3.0879 -3.0879 -3.0565 -3.0565 -2.9760 -2.9760 -2.9565 -2.9565 -2.8916 -2.8916 -2.8856 -2.8856 0.9311 0.9311 0.9574 0.9574 2.3485 2.3485 2.3639 2.3639 3.0032 3.0032 3.0327 3.0327 4.3484 4.3484 4.3838 4.3838 9.1394 9.1394 9.2353 9.2353 11.3193 11.3193 11.5835 11.5835 k = 0.2619 0.5000-0.0000 ( 3532 PWs) bands (ev): -15.6994 -15.6994 -15.6992 -15.6992 -5.1866 -5.1866 -5.1858 -5.1858 -5.1130 -5.1130 -5.0980 -5.0980 -3.0887 -3.0887 -3.0579 -3.0579 -2.9700 -2.9700 -2.9516 -2.9516 -2.8897 -2.8897 -2.8839 -2.8839 0.9706 0.9706 0.9988 0.9988 2.3248 2.3248 2.3401 2.3401 2.9938 2.9938 3.0269 3.0269 4.3245 4.3245 4.3614 4.3614 9.1465 9.1465 9.2490 9.2490 11.3049 11.3049 11.5247 11.5247 k = 0.2738 0.5000-0.0000 ( 3532 PWs) bands (ev): -15.6990 -15.6990 -15.6987 -15.6987 -5.1860 -5.1860 -5.1856 -5.1856 -5.1107 -5.1107 -5.0961 -5.0961 -3.0896 -3.0896 -3.0595 -3.0595 -2.9639 -2.9639 -2.9465 -2.9465 -2.8879 -2.8879 -2.8824 -2.8824 1.0115 1.0115 1.0417 1.0417 2.3015 2.3015 2.3167 2.3167 2.9833 2.9833 3.0199 3.0199 4.3001 4.3001 4.3383 4.3383 9.1507 9.1507 9.2594 9.2594 11.2907 11.2907 11.4651 11.4651 k = 0.2857 0.5000-0.0000 ( 3524 PWs) bands (ev): -15.6986 -15.6986 -15.6983 -15.6983 -5.1855 -5.1855 -5.1854 -5.1854 -5.1083 -5.1083 -5.0941 -5.0941 -3.0903 -3.0903 -3.0611 -3.0611 -2.9576 -2.9576 -2.9413 -2.9413 -2.8861 -2.8861 -2.8809 -2.8809 1.0536 1.0536 1.0858 1.0858 2.2786 2.2786 2.2938 2.2938 2.9717 2.9717 3.0118 3.0118 4.2753 4.2753 4.3147 4.3147 9.1522 9.1522 9.2662 9.2662 11.2772 11.2772 11.4080 11.4080 k = 0.2976 0.5000-0.0000 ( 3520 PWs) bands (ev): -15.6982 -15.6982 -15.6979 -15.6979 -5.1852 -5.1852 -5.1851 -5.1851 -5.1059 -5.1059 -5.0922 -5.0922 -3.0911 -3.0911 -3.0629 -3.0629 -2.9513 -2.9513 -2.9362 -2.9362 -2.8843 -2.8843 -2.8796 -2.8796 1.0969 1.0969 1.1311 1.1311 2.2562 2.2562 2.2716 2.2716 2.9589 2.9589 3.0023 3.0023 4.2504 4.2504 4.2907 4.2907 9.1510 9.1510 9.2693 9.2693 11.2648 11.2648 11.3553 11.3553 k = 0.3095 0.5000-0.0000 ( 3520 PWs) bands (ev): -15.6978 -15.6978 -15.6975 -15.6975 -5.1851 -5.1851 -5.1847 -5.1847 -5.1035 -5.1035 -5.0904 -5.0904 -3.0918 -3.0918 -3.0647 -3.0647 -2.9450 -2.9450 -2.9311 -2.9311 -2.8827 -2.8827 -2.8784 -2.8784 1.1411 1.1411 1.1774 1.1774 2.2345 2.2345 2.2501 2.2501 2.9449 2.9449 2.9913 2.9913 4.2254 4.2254 4.2664 4.2664 9.1474 9.1474 9.2686 9.2686 11.2538 11.2538 11.3083 11.3083 k = 0.3214 0.5000-0.0000 ( 3532 PWs) bands (ev): -15.6974 -15.6974 -15.6972 -15.6972 -5.1850 -5.1850 -5.1844 -5.1844 -5.1011 -5.1011 -5.0887 -5.0887 -3.0925 -3.0925 -3.0666 -3.0666 -2.9388 -2.9388 -2.9262 -2.9262 -2.8811 -2.8811 -2.8773 -2.8773 1.1861 1.1861 1.2244 1.2244 2.2136 2.2136 2.2296 2.2296 2.9296 2.9296 2.9786 2.9786 4.2006 4.2006 4.2421 4.2421 9.1415 9.1415 9.2642 9.2642 11.2445 11.2445 11.2677 11.2677 k = 0.3333 0.5000-0.0000 ( 3526 PWs) bands (ev): -15.6970 -15.6970 -15.6968 -15.6968 -5.1849 -5.1849 -5.1841 -5.1841 -5.0988 -5.0988 -5.0870 -5.0870 -3.0931 -3.0931 -3.0684 -3.0684 -2.9327 -2.9327 -2.9214 -2.9214 -2.8795 -2.8795 -2.8763 -2.8763 1.2318 1.2318 1.2720 1.2720 2.1936 2.1936 2.2100 2.2100 2.9129 2.9129 2.9643 2.9643 4.1764 4.1764 4.2180 4.2180 9.1337 9.1337 9.2564 9.2564 11.2336 11.2336 11.2369 11.2369 k = 0.3452 0.5000-0.0000 ( 3526 PWs) bands (ev): -15.6967 -15.6967 -15.6965 -15.6965 -5.1848 -5.1848 -5.1839 -5.1839 -5.0965 -5.0965 -5.0854 -5.0854 -3.0935 -3.0935 -3.0702 -3.0702 -2.9268 -2.9268 -2.9168 -2.9168 -2.8780 -2.8780 -2.8754 -2.8754 1.2778 1.2778 1.3199 1.3199 2.1747 2.1747 2.1916 2.1916 2.8950 2.8950 2.9482 2.9482 4.1529 4.1529 4.1943 4.1943 9.1244 9.1244 9.2455 9.2455 11.2060 11.2060 11.2310 11.2310 k = 0.3571 0.5000-0.0000 ( 3528 PWs) bands (ev): -15.6963 -15.6963 -15.6961 -15.6961 -5.1848 -5.1848 -5.1837 -5.1837 -5.0944 -5.0944 -5.0839 -5.0839 -3.0939 -3.0939 -3.0720 -3.0720 -2.9212 -2.9212 -2.9125 -2.9125 -2.8765 -2.8765 -2.8746 -2.8746 1.3240 1.3240 1.3677 1.3677 2.1569 2.1569 2.1745 2.1745 2.8759 2.8759 2.9303 2.9303 4.1303 4.1303 4.1711 4.1711 9.1141 9.1141 9.2319 9.2319 11.1846 11.1846 11.2267 11.2267 k = 0.3690 0.5000-0.0000 ( 3540 PWs) bands (ev): -15.6960 -15.6960 -15.6958 -15.6958 -5.1847 -5.1847 -5.1836 -5.1836 -5.0923 -5.0923 -5.0826 -5.0826 -3.0942 -3.0942 -3.0738 -3.0738 -2.9158 -2.9158 -2.9085 -2.9085 -2.8752 -2.8752 -2.8739 -2.8739 1.3699 1.3699 1.4150 1.4150 2.1405 2.1405 2.1586 2.1586 2.8557 2.8557 2.9107 2.9107 4.1090 4.1090 4.1487 4.1487 9.1032 9.1032 9.2161 9.2161 11.1690 11.1690 11.2236 11.2236 k = 0.3810 0.5000-0.0000 ( 3544 PWs) bands (ev): -15.6957 -15.6957 -15.6956 -15.6956 -5.1847 -5.1847 -5.1835 -5.1835 -5.0903 -5.0903 -5.0814 -5.0814 -3.0943 -3.0943 -3.0755 -3.0755 -2.9108 -2.9108 -2.9047 -2.9047 -2.8739 -2.8739 -2.8733 -2.8733 1.4153 1.4153 1.4615 1.4615 2.1254 2.1254 2.1442 2.1442 2.8346 2.8346 2.8894 2.8894 4.0891 4.0891 4.1273 4.1273 9.0921 9.0921 9.1988 9.1988 11.1585 11.1585 11.2216 11.2216 k = 0.3929 0.5000-0.0000 ( 3552 PWs) bands (ev): -15.6955 -15.6955 -15.6953 -15.6953 -5.1846 -5.1846 -5.1835 -5.1835 -5.0884 -5.0884 -5.0803 -5.0803 -3.0944 -3.0944 -3.0772 -3.0772 -2.9062 -2.9062 -2.9013 -2.9013 -2.8727 -2.8727 -2.8727 -2.8727 1.4597 1.4597 1.5065 1.5065 2.1120 2.1120 2.1313 2.1313 2.8129 2.8129 2.8668 2.8668 4.0709 4.0709 4.1070 4.1070 9.0813 9.0813 9.1805 9.1805 11.1526 11.1526 11.2203 11.2203 k = 0.4048 0.5000-0.0000 ( 3556 PWs) bands (ev): -15.6952 -15.6952 -15.6951 -15.6951 -5.1845 -5.1845 -5.1834 -5.1834 -5.0867 -5.0867 -5.0794 -5.0794 -3.0943 -3.0943 -3.0788 -3.0788 -2.9019 -2.9019 -2.8983 -2.8983 -2.8722 -2.8722 -2.8715 -2.8715 1.5026 1.5026 1.5494 1.5494 2.1003 2.1003 2.1199 2.1199 2.7911 2.7911 2.8430 2.8430 4.0545 4.0545 4.0881 4.0881 9.0712 9.0712 9.1618 9.1618 11.1504 11.1504 11.2194 11.2194 k = 0.4167 0.5000-0.0000 ( 3548 PWs) bands (ev): -15.6950 -15.6950 -15.6948 -15.6948 -5.1844 -5.1844 -5.1834 -5.1834 -5.0850 -5.0850 -5.0786 -5.0786 -3.0940 -3.0940 -3.0804 -3.0804 -2.8981 -2.8981 -2.8955 -2.8955 -2.8716 -2.8716 -2.8705 -2.8705 1.5436 1.5436 1.5894 1.5894 2.0904 2.0904 2.1100 2.1100 2.7695 2.7695 2.8186 2.8186 4.0402 4.0402 4.0708 4.0708 9.0622 9.0622 9.1432 9.1432 11.1514 11.1514 11.2186 11.2186 k = 0.4286 0.5000-0.0000 ( 3548 PWs) bands (ev): -15.6948 -15.6948 -15.6947 -15.6947 -5.1844 -5.1844 -5.1834 -5.1834 -5.0835 -5.0835 -5.0779 -5.0779 -3.0937 -3.0937 -3.0819 -3.0819 -2.8948 -2.8948 -2.8932 -2.8932 -2.8711 -2.8711 -2.8696 -2.8696 1.5819 1.5819 1.6257 1.6257 2.0826 2.0826 2.1017 2.1017 2.7489 2.7489 2.7940 2.7940 4.0279 4.0279 4.0551 4.0551 9.0545 9.0545 9.1253 9.1253 11.1548 11.1548 11.2174 11.2174 k = 0.4405 0.5000-0.0000 ( 3552 PWs) bands (ev): -15.6946 -15.6946 -15.6945 -15.6945 -5.1843 -5.1843 -5.1835 -5.1835 -5.0821 -5.0821 -5.0775 -5.0775 -3.0933 -3.0933 -3.0834 -3.0834 -2.8920 -2.8920 -2.8911 -2.8911 -2.8706 -2.8706 -2.8688 -2.8688 1.6170 1.6170 1.6574 1.6574 2.0770 2.0770 2.0949 2.0949 2.7301 2.7301 2.7701 2.7701 4.0179 4.0179 4.0412 4.0412 9.0486 9.0486 9.1083 9.1083 11.1600 11.1600 11.2158 11.2158 k = 0.4524 0.5000-0.0000 ( 3564 PWs) bands (ev): -15.6945 -15.6945 -15.6944 -15.6944 -5.1842 -5.1842 -5.1836 -5.1836 -5.0810 -5.0810 -5.0772 -5.0772 -3.0928 -3.0928 -3.0848 -3.0848 -2.8898 -2.8898 -2.8895 -2.8895 -2.8701 -2.8701 -2.8683 -2.8683 1.6482 1.6482 1.6834 1.6834 2.0734 2.0734 2.0894 2.0894 2.7137 2.7137 2.7476 2.7476 4.0101 4.0101 4.0292 4.0292 9.0445 9.0445 9.0929 9.0929 11.1664 11.1664 11.2134 11.2134 k = 0.4643 0.5000-0.0000 ( 3576 PWs) bands (ev): -15.6944 -15.6944 -15.6943 -15.6943 -5.1842 -5.1842 -5.1837 -5.1837 -5.0799 -5.0799 -5.0771 -5.0771 -3.0921 -3.0921 -3.0861 -3.0861 -2.8882 -2.8882 -2.8882 -2.8882 -2.8695 -2.8695 -2.8680 -2.8680 1.6747 1.6747 1.7031 1.7031 2.0719 2.0719 2.0849 2.0849 2.7009 2.7009 2.7275 2.7275 4.0046 4.0046 4.0192 4.0192 9.0425 9.0425 9.0791 9.0791 11.1735 11.1735 11.2102 11.2102 k = 0.4762 0.5000-0.0000 ( 3576 PWs) bands (ev): -15.6943 -15.6943 -15.6942 -15.6942 -5.1841 -5.1841 -5.1838 -5.1838 -5.0790 -5.0790 -5.0771 -5.0771 -3.0914 -3.0914 -3.0873 -3.0873 -2.8872 -2.8872 -2.8871 -2.8871 -2.8690 -2.8690 -2.8678 -2.8678 1.6958 1.6958 1.7159 1.7159 2.0721 2.0721 2.0813 2.0813 2.6924 2.6924 2.7108 2.7108 4.0014 4.0014 4.0113 4.0113 9.0428 9.0428 9.0673 9.0673 11.1809 11.1809 11.2060 11.2060 k = 0.4881 0.5000-0.0000 ( 3572 PWs) bands (ev): -15.6942 -15.6942 -15.6942 -15.6942 -5.1840 -5.1840 -5.1838 -5.1838 -5.0783 -5.0783 -5.0773 -5.0773 -3.0905 -3.0905 -3.0885 -3.0885 -2.8866 -2.8866 -2.8865 -2.8865 -2.8685 -2.8685 -2.8679 -2.8679 1.7110 1.7110 1.7214 1.7214 2.0735 2.0735 2.0783 2.0783 2.6890 2.6890 2.6984 2.6984 4.0005 4.0005 4.0055 4.0055 9.0454 9.0454 9.0577 9.0577 11.1881 11.1881 11.2008 11.2008 k = 0.5000 0.5000-0.0000 ( 3592 PWs) bands (ev): -15.6942 -15.6942 -15.6942 -15.6942 -5.1840 -5.1840 -5.1840 -5.1840 -5.0778 -5.0778 -5.0778 -5.0778 -3.0896 -3.0896 -3.0896 -3.0896 -2.8863 -2.8863 -2.8863 -2.8863 -2.8682 -2.8682 -2.8682 -2.8682 1.7196 1.7196 1.7196 1.7196 2.0756 2.0756 2.0756 2.0756 2.6910 2.6910 2.6910 2.6910 4.0019 4.0019 4.0019 4.0019 9.0504 9.0504 9.0504 9.0504 11.1948 11.1948 11.1948 11.1948 k = 0.5000 0.5000-0.0000 ( 3592 PWs) bands (ev): -15.6942 -15.6942 -15.6942 -15.6942 -5.1840 -5.1840 -5.1840 -5.1840 -5.0778 -5.0778 -5.0778 -5.0778 -3.0896 -3.0896 -3.0896 -3.0896 -2.8863 -2.8863 -2.8863 -2.8863 -2.8682 -2.8682 -2.8682 -2.8682 1.7196 1.7196 1.7196 1.7196 2.0756 2.0756 2.0756 2.0756 2.6910 2.6910 2.6910 2.6910 4.0019 4.0019 4.0019 4.0019 9.0504 9.0504 9.0504 9.0504 11.1948 11.1948 11.1948 11.1948 k = 0.4915 0.4915-0.0000 ( 3580 PWs) bands (ev): -15.6943 -15.6943 -15.6941 -15.6941 -5.1840 -5.1840 -5.1838 -5.1838 -5.0783 -5.0783 -5.0774 -5.0774 -3.0905 -3.0905 -3.0885 -3.0885 -2.8866 -2.8866 -2.8865 -2.8865 -2.8685 -2.8685 -2.8679 -2.8679 1.7095 1.7095 1.7228 1.7228 2.0686 2.0686 2.0830 2.0830 2.6884 2.6884 2.6990 2.6990 4.0002 4.0002 4.0058 4.0058 9.0454 9.0454 9.0578 9.0578 11.1878 11.1878 11.2011 11.2011 k = 0.4831 0.4831-0.0000 ( 3574 PWs) bands (ev): -15.6945 -15.6945 -15.6939 -15.6939 -5.1841 -5.1841 -5.1837 -5.1837 -5.0790 -5.0790 -5.0771 -5.0771 -3.0914 -3.0914 -3.0873 -3.0873 -2.8872 -2.8872 -2.8871 -2.8871 -2.8690 -2.8690 -2.8678 -2.8678 1.6880 1.6880 1.7253 1.7253 2.0497 2.0497 2.1022 2.1022 2.6885 2.6885 2.7146 2.7146 3.9991 3.9991 4.0136 4.0136 9.0428 9.0428 9.0676 9.0676 11.1790 11.1790 11.2078 11.2078 k = 0.4746 0.4746-0.0000 ( 3566 PWs) bands (ev): -15.6950 -15.6950 -15.6937 -15.6937 -5.1842 -5.1842 -5.1836 -5.1836 -5.0799 -5.0799 -5.0771 -5.0771 -3.0921 -3.0921 -3.0861 -3.0861 -2.8882 -2.8882 -2.8881 -2.8881 -2.8694 -2.8694 -2.8681 -2.8681 1.6569 1.6569 1.7286 1.7286 2.0203 2.0203 2.1300 2.1300 2.6898 2.6898 2.7372 2.7372 3.9981 3.9981 4.0260 4.0260 9.0425 9.0425 9.0798 9.0798 11.1675 11.1675 11.2158 11.2158 k = 0.4661 0.4661-0.0000 ( 3558 PWs) bands (ev): -15.6956 -15.6956 -15.6932 -15.6932 -5.1843 -5.1843 -5.1835 -5.1835 -5.0809 -5.0809 -5.0772 -5.0772 -3.0927 -3.0927 -3.0848 -3.0848 -2.8899 -2.8899 -2.8894 -2.8894 -2.8698 -2.8698 -2.8686 -2.8686 1.6194 1.6194 1.7331 1.7331 1.9827 1.9827 2.1632 2.1632 2.6920 2.6920 2.7648 2.7648 3.9968 3.9968 4.0430 4.0430 9.0447 9.0447 9.0946 9.0946 11.1531 11.1531 11.2257 11.2257 k = 0.4576 0.4576-0.0000 ( 3552 PWs) bands (ev): -15.6964 -15.6964 -15.6927 -15.6927 -5.1845 -5.1845 -5.1833 -5.1833 -5.0821 -5.0821 -5.0775 -5.0775 -3.0932 -3.0932 -3.0834 -3.0834 -2.8921 -2.8921 -2.8910 -2.8910 -2.8702 -2.8702 -2.8695 -2.8695 1.5778 1.5778 1.7388 1.7388 1.9393 1.9393 2.1990 2.1990 2.6949 2.6949 2.7955 2.7955 3.9952 3.9952 4.0646 4.0646 9.0493 9.0493 9.1118 9.1118 11.1357 11.1357 11.2377 11.2377 k = 0.4492 0.4492-0.0000 ( 3552 PWs) bands (ev): -15.6974 -15.6974 -15.6921 -15.6921 -5.1846 -5.1846 -5.1832 -5.1832 -5.0835 -5.0835 -5.0780 -5.0780 -3.0936 -3.0936 -3.0820 -3.0820 -2.8949 -2.8949 -2.8929 -2.8929 -2.8707 -2.8707 -2.8704 -2.8704 1.5338 1.5338 1.7454 1.7454 1.8920 1.8920 2.2358 2.2358 2.6985 2.6985 2.8275 2.8275 3.9934 3.9934 4.0906 4.0906 9.0563 9.0563 9.1318 9.1318 11.1155 11.1155 11.2520 11.2520 k = 0.4407 0.4407-0.0000 ( 3556 PWs) bands (ev): -15.6985 -15.6985 -15.6914 -15.6914 -5.1848 -5.1848 -5.1831 -5.1831 -5.0849 -5.0849 -5.0787 -5.0787 -3.0938 -3.0938 -3.0805 -3.0805 -2.8981 -2.8981 -2.8951 -2.8951 -2.8723 -2.8723 -2.8706 -2.8706 1.4885 1.4885 1.7524 1.7524 1.8426 1.8426 2.2724 2.2724 2.7027 2.7027 2.8596 2.8596 3.9912 3.9912 4.1209 4.1209 9.0658 9.0658 9.1544 9.1544 11.0928 11.0928 11.2686 11.2686 k = 0.4322 0.4322-0.0000 ( 3560 PWs) bands (ev): -15.6999 -15.6999 -15.6906 -15.6906 -5.1850 -5.1850 -5.1829 -5.1829 -5.0866 -5.0866 -5.0795 -5.0795 -3.0939 -3.0939 -3.0790 -3.0790 -2.9018 -2.9018 -2.8976 -2.8976 -2.8742 -2.8742 -2.8707 -2.8707 1.4426 1.4426 1.7560 1.7560 1.7962 1.7962 2.3080 2.3080 2.7075 2.7075 2.8907 2.8907 3.9888 3.9888 4.1551 4.1551 9.0776 9.0776 9.1800 9.1800 11.0678 11.0678 11.2876 11.2876 k = 0.4237 0.4237-0.0000 ( 3556 PWs) bands (ev): -15.7014 -15.7014 -15.6896 -15.6896 -5.1852 -5.1852 -5.1827 -5.1827 -5.0884 -5.0884 -5.0805 -5.0805 -3.0937 -3.0937 -3.0774 -3.0774 -2.9059 -2.9059 -2.9003 -2.9003 -2.8765 -2.8765 -2.8707 -2.8707 1.3966 1.3966 1.7275 1.7275 1.7820 1.7820 2.3421 2.3421 2.7129 2.7129 2.9203 2.9203 3.9862 3.9862 4.1928 4.1928 9.0918 9.0918 9.2086 9.2086 11.0412 11.0412 11.3089 11.3089 k = 0.4153 0.4153-0.0000 ( 3552 PWs) bands (ev): -15.7030 -15.7030 -15.6886 -15.6886 -5.1855 -5.1855 -5.1825 -5.1825 -5.0903 -5.0903 -5.0815 -5.0815 -3.0934 -3.0934 -3.0757 -3.0757 -2.9104 -2.9104 -2.9033 -2.9033 -2.8791 -2.8791 -2.8707 -2.8707 1.3509 1.3509 1.6773 1.6773 1.7904 1.7904 2.3741 2.3741 2.7187 2.7187 2.9479 2.9479 3.9834 3.9834 4.2336 4.2336 9.1084 9.1084 9.2404 9.2404 11.0134 11.0134 11.3324 11.3324 k = 0.4068 0.4068-0.0000 ( 3546 PWs) bands (ev): -15.7048 -15.7048 -15.6875 -15.6875 -5.1858 -5.1858 -5.1823 -5.1823 -5.0924 -5.0924 -5.0826 -5.0826 -3.0930 -3.0930 -3.0739 -3.0739 -2.9152 -2.9152 -2.9066 -2.9066 -2.8820 -2.8820 -2.8706 -2.8706 1.3057 1.3057 1.6249 1.6249 1.8023 1.8023 2.4036 2.4036 2.7251 2.7251 2.9735 2.9735 3.9803 3.9803 4.2770 4.2770 9.1272 9.1272 9.2756 9.2756 10.9849 10.9849 11.3580 11.3580 k = 0.3983 0.3983-0.0000 ( 3544 PWs) bands (ev): -15.7068 -15.7068 -15.6863 -15.6863 -5.1861 -5.1861 -5.1821 -5.1821 -5.0946 -5.0946 -5.0838 -5.0838 -3.0923 -3.0923 -3.0721 -3.0721 -2.9202 -2.9202 -2.9100 -2.9100 -2.8852 -2.8852 -2.8706 -2.8706 1.2614 1.2614 1.5726 1.5726 1.8156 1.8156 2.4305 2.4305 2.7319 2.7319 2.9967 2.9967 3.9770 3.9770 4.3223 4.3223 9.1482 9.1482 9.3143 9.3143 10.9563 10.9563 11.3852 11.3852 k = 0.3898 0.3898-0.0000 ( 3538 PWs) bands (ev): -15.7090 -15.7090 -15.6850 -15.6850 -5.1864 -5.1864 -5.1819 -5.1819 -5.0970 -5.0970 -5.0850 -5.0850 -3.0915 -3.0915 -3.0702 -3.0702 -2.9255 -2.9255 -2.9137 -2.9137 -2.8887 -2.8887 -2.8705 -2.8705 1.2180 1.2180 1.5210 1.5210 1.8301 1.8301 2.4543 2.4543 2.7391 2.7391 3.0177 3.0177 3.9735 3.9735 4.3691 4.3691 9.1712 9.1712 9.3567 9.3567 10.9280 10.9280 11.4137 11.4137 k = 0.3814 0.3814-0.0000 ( 3538 PWs) bands (ev): -15.7113 -15.7113 -15.6837 -15.6837 -5.1867 -5.1867 -5.1816 -5.1816 -5.0996 -5.0996 -5.0862 -5.0862 -3.0905 -3.0905 -3.0682 -3.0682 -2.9310 -2.9310 -2.9176 -2.9176 -2.8926 -2.8926 -2.8703 -2.8703 1.1758 1.1758 1.4706 1.4706 1.8455 1.8455 2.4751 2.4751 2.7467 2.7467 3.0364 3.0364 3.9698 3.9698 4.4168 4.4168 9.1961 9.1961 9.4031 9.4031 10.9007 10.9007 11.4425 11.4425 k = 0.3729 0.3729-0.0000 ( 3544 PWs) bands (ev): -15.7138 -15.7138 -15.6823 -15.6823 -5.1871 -5.1871 -5.1814 -5.1814 -5.1023 -5.1023 -5.0875 -5.0875 -3.0894 -3.0894 -3.0661 -3.0661 -2.9367 -2.9367 -2.9217 -2.9217 -2.8967 -2.8967 -2.8702 -2.8702 1.1349 1.1349 1.4214 1.4214 1.8618 1.8618 2.4926 2.4926 2.7545 2.7545 3.0530 3.0530 3.9658 3.9658 4.4646 4.4646 9.2228 9.2228 9.4534 9.4534 10.8749 10.8749 11.4702 11.4702 k = 0.3644 0.3644-0.0000 ( 3540 PWs) bands (ev): -15.7164 -15.7164 -15.6808 -15.6808 -5.1875 -5.1875 -5.1812 -5.1812 -5.1052 -5.1052 -5.0886 -5.0886 -3.0882 -3.0882 -3.0639 -3.0639 -2.9424 -2.9424 -2.9259 -2.9259 -2.9011 -2.9011 -2.8701 -2.8701 1.0953 1.0953 1.3739 1.3739 1.8788 1.8788 2.5067 2.5067 2.7627 2.7627 3.0676 3.0676 3.9614 3.9614 4.5122 4.5122 9.2511 9.2511 9.5079 9.5079 10.8511 10.8511 11.4941 11.4941 k = 0.3559 0.3559-0.0000 ( 3538 PWs) bands (ev): -15.7192 -15.7192 -15.6793 -15.6793 -5.1879 -5.1879 -5.1810 -5.1810 -5.1083 -5.1083 -5.0897 -5.0897 -3.0869 -3.0869 -3.0615 -3.0615 -2.9483 -2.9483 -2.9302 -2.9302 -2.9056 -2.9056 -2.8699 -2.8699 1.0572 1.0572 1.3280 1.3280 1.8965 1.8965 2.5175 2.5175 2.7711 2.7711 3.0802 3.0802 3.9567 3.9567 4.5588 4.5588 9.2808 9.2808 9.5664 9.5664 10.8296 10.8296 11.5101 11.5101 k = 0.3475 0.3475-0.0000 ( 3522 PWs) bands (ev): -15.7220 -15.7220 -15.6778 -15.6778 -5.1883 -5.1883 -5.1808 -5.1808 -5.1114 -5.1114 -5.0906 -5.0906 -3.0855 -3.0855 -3.0589 -3.0589 -2.9542 -2.9542 -2.9346 -2.9346 -2.9104 -2.9104 -2.8697 -2.8697 1.0207 1.0207 1.2840 1.2840 1.9148 1.9148 2.5249 2.5249 2.7798 2.7798 3.0909 3.0909 3.9515 3.9515 4.6041 4.6041 9.3117 9.3117 9.6292 9.6292 10.8110 10.8110 11.5126 11.5126 k = 0.3390 0.3390-0.0000 ( 3514 PWs) bands (ev): -15.7250 -15.7250 -15.6762 -15.6762 -5.1888 -5.1888 -5.1806 -5.1806 -5.1148 -5.1148 -5.0915 -5.0915 -3.0840 -3.0840 -3.0562 -3.0562 -2.9601 -2.9601 -2.9390 -2.9390 -2.9155 -2.9155 -2.8695 -2.8695 0.9858 0.9858 1.2419 1.2419 1.9336 1.9336 2.5289 2.5289 2.7886 2.7886 3.0999 3.0999 3.9457 3.9457 4.6475 4.6475 9.3437 9.3437 9.6960 9.6960 10.7955 10.7955 11.4978 11.4978 k = 0.3305 0.3305-0.0000 ( 3518 PWs) bands (ev): -15.7282 -15.7282 -15.6746 -15.6746 -5.1893 -5.1893 -5.1804 -5.1804 -5.1183 -5.1183 -5.0923 -5.0923 -3.0826 -3.0826 -3.0533 -3.0533 -2.9660 -2.9660 -2.9435 -2.9435 -2.9207 -2.9207 -2.8693 -2.8693 0.9524 0.9524 1.2018 1.2018 1.9528 1.9528 2.5298 2.5298 2.7975 2.7975 3.1072 3.1072 3.9393 3.9393 4.6885 4.6885 9.3765 9.3765 9.7668 9.7668 10.7833 10.7833 11.4668 11.4668 k = 0.3220 0.3220-0.0000 ( 3520 PWs) bands (ev): -15.7315 -15.7315 -15.6729 -15.6729 -5.1898 -5.1898 -5.1803 -5.1803 -5.1219 -5.1219 -5.0929 -5.0929 -3.0811 -3.0811 -3.0502 -3.0502 -2.9719 -2.9719 -2.9478 -2.9478 -2.9261 -2.9261 -2.8691 -2.8691 0.9208 0.9208 1.1637 1.1637 1.9724 1.9724 2.5275 2.5275 2.8066 2.8066 3.1128 3.1128 3.9322 3.9322 4.7269 4.7269 9.4098 9.4098 9.8413 9.8413 10.7745 10.7745 11.4254 11.4254 k = 0.3136 0.3136-0.0000 ( 3528 PWs) bands (ev): -15.7349 -15.7349 -15.6713 -15.6713 -5.1903 -5.1903 -5.1802 -5.1802 -5.1256 -5.1256 -5.0934 -5.0934 -3.0798 -3.0798 -3.0469 -3.0469 -2.9777 -2.9777 -2.9521 -2.9521 -2.9316 -2.9316 -2.8690 -2.8690 0.8909 0.8909 1.1278 1.1278 1.9923 1.9923 2.5223 2.5223 2.8157 2.8157 3.1168 3.1168 3.9242 3.9242 4.7623 4.7623 9.4432 9.4432 9.9191 9.9191 10.7689 10.7689 11.3798 11.3798 k = 0.3051 0.3051-0.0000 ( 3535 PWs) bands (ev): -15.7384 -15.7384 -15.6696 -15.6696 -5.1909 -5.1909 -5.1802 -5.1802 -5.1293 -5.1293 -5.0939 -5.0939 -3.0785 -3.0785 -3.0435 -3.0435 -2.9835 -2.9835 -2.9562 -2.9562 -2.9372 -2.9372 -2.8688 -2.8688 0.8628 0.8628 1.0940 1.0940 2.0123 2.0123 2.5145 2.5145 2.8249 2.8249 3.1191 3.1191 3.9152 3.9152 4.7943 4.7943 9.4764 9.4764 9.9998 9.9998 10.7664 10.7664 11.3349 11.3349 k = 0.2966 0.2966-0.0000 ( 3531 PWs) bands (ev): -15.7419 -15.7419 -15.6680 -15.6680 -5.1914 -5.1914 -5.1801 -5.1801 -5.1331 -5.1331 -5.0941 -5.0941 -3.0773 -3.0773 -3.0399 -3.0399 -2.9890 -2.9890 -2.9600 -2.9600 -2.9429 -2.9429 -2.8686 -2.8686 0.8364 0.8364 1.0624 1.0624 2.0325 2.0325 2.5041 2.5041 2.8340 2.8340 3.1199 3.1199 3.9052 3.9052 4.8230 4.8230 9.5088 9.5088 10.0828 10.0828 10.7665 10.7665 11.2947 11.2947 k = 0.2881 0.2881-0.0000 ( 3535 PWs) bands (ev): -15.7456 -15.7456 -15.6663 -15.6663 -5.1920 -5.1920 -5.1802 -5.1802 -5.1369 -5.1369 -5.0942 -5.0942 -3.0762 -3.0762 -3.0363 -3.0363 -2.9944 -2.9944 -2.9635 -2.9635 -2.9485 -2.9485 -2.8685 -2.8685 0.8117 0.8117 1.0330 1.0330 2.0527 2.0527 2.4916 2.4916 2.8431 2.8431 3.1191 3.1191 3.8940 3.8940 4.8480 4.8480 9.5398 9.5398 10.1668 10.1668 10.7691 10.7691 11.2625 11.2625 k = 0.2797 0.2797-0.0000 ( 3533 PWs) bands (ev): -15.7494 -15.7494 -15.6646 -15.6646 -5.1925 -5.1925 -5.1802 -5.1802 -5.1407 -5.1407 -5.0942 -5.0942 -3.0753 -3.0753 -3.0327 -3.0327 -2.9997 -2.9997 -2.9665 -2.9665 -2.9542 -2.9542 -2.8683 -2.8683 0.7888 0.7888 1.0057 1.0057 2.0728 2.0728 2.4771 2.4771 2.8522 2.8522 3.1167 3.1167 3.8815 3.8815 4.8694 4.8694 9.5684 9.5684 10.2506 10.2506 10.7744 10.7744 11.2414 11.2414 k = 0.2712 0.2712-0.0000 ( 3525 PWs) bands (ev): -15.7532 -15.7532 -15.6630 -15.6630 -5.1931 -5.1931 -5.1803 -5.1803 -5.1445 -5.1445 -5.0940 -5.0940 -3.0746 -3.0746 -3.0293 -3.0293 -3.0047 -3.0047 -2.9691 -2.9691 -2.9596 -2.9596 -2.8681 -2.8681 0.7677 0.7677 0.9807 0.9807 2.0928 2.0928 2.4610 2.4610 2.8611 2.8611 3.1127 3.1127 3.8676 3.8676 4.8871 4.8871 9.5938 9.5938 10.3319 10.3319 10.7840 10.7840 11.2333 11.2333 k = 0.2627 0.2627-0.0000 ( 3525 PWs) bands (ev): -15.7570 -15.7570 -15.6614 -15.6614 -5.1937 -5.1937 -5.1804 -5.1804 -5.1483 -5.1483 -5.0937 -5.0937 -3.0741 -3.0741 -3.0262 -3.0262 -3.0095 -3.0095 -2.9715 -2.9715 -2.9644 -2.9644 -2.8680 -2.8680 0.7483 0.7483 0.9579 0.9579 2.1125 2.1125 2.4436 2.4436 2.8699 2.8699 3.1070 3.1070 3.8523 3.8523 4.9012 4.9012 9.6146 9.6146 10.4075 10.4075 10.8015 10.8015 11.2395 11.2395 k = 0.2542 0.2542-0.0000 ( 3521 PWs) bands (ev): -15.7609 -15.7609 -15.6598 -15.6598 -5.1943 -5.1943 -5.1806 -5.1806 -5.1520 -5.1520 -5.0933 -5.0933 -3.0739 -3.0739 -3.0237 -3.0237 -3.0141 -3.0141 -2.9746 -2.9746 -2.9674 -2.9674 -2.8678 -2.8678 0.7306 0.7306 0.9372 0.9372 2.1317 2.1317 2.4252 2.4252 2.8785 2.8785 3.0996 3.0996 3.8356 3.8356 4.9118 4.9118 9.6296 9.6296 10.4736 10.4736 10.8318 10.8318 11.2600 11.2600 k = 0.2458 0.2458-0.0000 ( 3523 PWs) bands (ev): -15.7649 -15.7649 -15.6582 -15.6582 -5.1950 -5.1950 -5.1808 -5.1808 -5.1557 -5.1557 -5.0927 -5.0927 -3.0738 -3.0738 -3.0220 -3.0220 -3.0182 -3.0182 -2.9790 -2.9790 -2.9679 -2.9679 -2.8676 -2.8676 0.7145 0.7145 0.9187 0.9187 2.1504 2.1504 2.4062 2.4062 2.8868 2.8868 3.0906 3.0906 3.8172 3.8172 4.9192 4.9192 9.6377 9.6377 10.5283 10.5283 10.8788 10.8788 11.2941 11.2941 k = 0.2373 0.2373-0.0000 ( 3527 PWs) bands (ev): -15.7689 -15.7689 -15.6567 -15.6567 -5.1956 -5.1956 -5.1811 -5.1811 -5.1594 -5.1594 -5.0920 -5.0920 -3.0740 -3.0740 -3.0236 -3.0236 -3.0197 -3.0197 -2.9838 -2.9838 -2.9667 -2.9667 -2.8674 -2.8674 0.7000 0.7000 0.9023 0.9023 2.1682 2.1682 2.3871 2.3871 2.8950 2.8950 3.0798 3.0798 3.7973 3.7973 4.9234 4.9234 9.6377 9.6377 10.5734 10.5734 10.9425 10.9425 11.3406 11.3406 k = 0.2288 0.2288-0.0000 ( 3523 PWs) bands (ev): -15.7729 -15.7729 -15.6552 -15.6552 -5.1962 -5.1962 -5.1815 -5.1815 -5.1629 -5.1629 -5.0913 -5.0913 -3.0744 -3.0744 -3.0274 -3.0274 -3.0194 -3.0194 -2.9884 -2.9884 -2.9642 -2.9642 -2.8673 -2.8673 0.6872 0.6872 0.8880 0.8880 2.1847 2.1847 2.3685 2.3685 2.9028 2.9028 3.0674 3.0674 3.7758 3.7758 4.9247 4.9247 9.6293 9.6293 10.6143 10.6143 11.0188 11.0188 11.3983 11.3983 k = 0.2203 0.2203-0.0000 ( 3527 PWs) bands (ev): -15.7768 -15.7768 -15.6538 -15.6538 -5.1968 -5.1968 -5.1819 -5.1819 -5.1663 -5.1663 -5.0904 -5.0904 -3.0750 -3.0750 -3.0312 -3.0312 -3.0198 -3.0198 -2.9925 -2.9925 -2.9607 -2.9607 -2.8671 -2.8671 0.6758 0.6758 0.8757 0.8757 2.1994 2.1994 2.3513 2.3513 2.9103 2.9103 3.0533 3.0533 3.7527 3.7527 4.9235 4.9235 9.6127 9.6127 10.6562 10.6562 11.1031 11.1031 11.4662 11.4662 k = 0.2119 0.2119-0.0000 ( 3523 PWs) bands (ev): -15.7808 -15.7808 -15.6524 -15.6524 -5.1974 -5.1974 -5.1823 -5.1823 -5.1696 -5.1696 -5.0894 -5.0894 -3.0757 -3.0757 -3.0350 -3.0350 -3.0210 -3.0210 -2.9959 -2.9959 -2.9564 -2.9564 -2.8669 -2.8669 0.6659 0.6659 0.8654 0.8654 2.2110 2.2110 2.3368 2.3368 2.9174 2.9174 3.0376 3.0376 3.7279 3.7279 4.9200 4.9200 9.5885 9.5885 10.7026 10.7026 11.1919 11.1919 11.5431 11.5431 k = 0.2034 0.2034-0.0000 ( 3521 PWs) bands (ev): -15.7848 -15.7848 -15.6510 -15.6510 -5.1981 -5.1981 -5.1828 -5.1828 -5.1728 -5.1728 -5.0884 -5.0884 -3.0767 -3.0767 -3.0385 -3.0385 -3.0231 -3.0231 -2.9983 -2.9983 -2.9516 -2.9516 -2.8667 -2.8667 0.6574 0.6574 0.8571 0.8571 2.2179 2.2179 2.3269 2.3269 2.9239 2.9239 3.0204 3.0204 3.7016 3.7016 4.9145 4.9145 9.5580 9.5580 10.7549 10.7549 11.2830 11.2830 11.6277 11.6277 k = 0.1949 0.1949-0.0000 ( 3519 PWs) bands (ev): -15.7887 -15.7887 -15.6498 -15.6498 -5.1987 -5.1987 -5.1833 -5.1833 -5.1758 -5.1758 -5.0873 -5.0873 -3.0777 -3.0777 -3.0419 -3.0419 -3.0260 -3.0260 -2.9998 -2.9998 -2.9464 -2.9464 -2.8665 -2.8665 0.6501 0.6501 0.8506 0.8506 2.2183 2.2183 2.3235 2.3235 2.9297 2.9297 3.0021 3.0021 3.6737 3.6737 4.9073 4.9073 9.5223 9.5223 10.8136 10.8136 11.3755 11.3755 11.7189 11.7189 k = 0.1864 0.1864-0.0000 ( 3511 PWs) bands (ev): -15.7926 -15.7926 -15.6485 -15.6485 -5.1993 -5.1993 -5.1838 -5.1838 -5.1786 -5.1786 -5.0861 -5.0861 -3.0788 -3.0788 -3.0451 -3.0451 -3.0295 -3.0295 -3.0003 -3.0003 -2.9410 -2.9410 -2.8662 -2.8662 0.6441 0.6441 0.8460 0.8460 2.2124 2.2124 2.3267 2.3267 2.9337 2.9337 2.9836 2.9836 3.6444 3.6444 4.8987 4.8987 9.4828 9.4828 10.8784 10.8784 11.4688 11.4688 11.8152 11.8152 k = 0.1780 0.1780-0.0000 ( 3507 PWs) bands (ev): -15.7964 -15.7964 -15.6473 -15.6473 -5.1999 -5.1999 -5.1845 -5.1845 -5.1813 -5.1813 -5.0849 -5.0849 -3.0799 -3.0799 -3.0482 -3.0482 -3.0334 -3.0334 -3.0002 -3.0002 -2.9354 -2.9354 -2.8659 -2.8659 0.6392 0.6392 0.8431 0.8431 2.2021 2.2021 2.3347 2.3347 2.9328 2.9328 2.9682 2.9682 3.6136 3.6136 4.8890 4.8890 9.4407 9.4407 10.9489 10.9489 11.5629 11.5629 11.9153 11.9153 k = 0.1695 0.1695-0.0000 ( 3499 PWs) bands (ev): -15.8001 -15.8001 -15.6462 -15.6462 -5.2005 -5.2005 -5.1854 -5.1854 -5.1835 -5.1835 -5.0837 -5.0837 -3.0810 -3.0810 -3.0511 -3.0511 -3.0374 -3.0374 -2.9995 -2.9995 -2.9298 -2.9298 -2.8655 -2.8655 0.6353 0.6353 0.8418 0.8418 2.1898 2.1898 2.3453 2.3453 2.9208 2.9208 2.9623 2.9623 3.5816 3.5816 4.8785 4.8785 9.3970 9.3970 11.0245 11.0245 11.6578 11.6578 12.0180 12.0180 k = 0.1610 0.1610-0.0000 ( 3507 PWs) bands (ev): -15.8038 -15.8038 -15.6451 -15.6451 -5.2010 -5.2010 -5.1872 -5.1872 -5.1849 -5.1849 -5.0824 -5.0824 -3.0821 -3.0821 -3.0540 -3.0540 -3.0414 -3.0414 -2.9986 -2.9986 -2.9244 -2.9244 -2.8650 -2.8650 0.6322 0.6322 0.8421 0.8421 2.1770 2.1770 2.3570 2.3570 2.8998 2.8998 2.9637 2.9637 3.5483 3.5483 4.8675 4.8675 9.3526 9.3526 11.1045 11.1045 11.7534 11.7534 12.1222 12.1222 k = 0.1525 0.1525-0.0000 ( 3511 PWs) bands (ev): -15.8073 -15.8073 -15.6441 -15.6441 -5.2016 -5.2016 -5.1893 -5.1893 -5.1858 -5.1858 -5.0812 -5.0812 -3.0832 -3.0832 -3.0567 -3.0567 -3.0453 -3.0453 -2.9973 -2.9973 -2.9191 -2.9191 -2.8645 -2.8645 0.6301 0.6301 0.8439 0.8439 2.1647 2.1647 2.3692 2.3692 2.8752 2.8752 2.9673 2.9673 3.5140 3.5140 4.8561 4.8561 9.3082 9.3082 11.1882 11.1882 11.8498 11.8498 12.2270 12.2270 k = 0.1441 0.1441-0.0000 ( 3523 PWs) bands (ev): -15.8108 -15.8108 -15.6432 -15.6432 -5.2021 -5.2021 -5.1914 -5.1914 -5.1865 -5.1865 -5.0800 -5.0800 -3.0843 -3.0843 -3.0594 -3.0594 -3.0491 -3.0491 -2.9958 -2.9958 -2.9140 -2.9140 -2.8638 -2.8638 0.6286 0.6286 0.8471 0.8471 2.1533 2.1533 2.3813 2.3813 2.8489 2.8489 2.9713 2.9713 3.4787 3.4787 4.8446 4.8446 9.2644 9.2644 11.2752 11.2752 11.9466 11.9466 12.3315 12.3315 k = 0.1356 0.1356-0.0000 ( 3523 PWs) bands (ev): -15.8141 -15.8141 -15.6423 -15.6423 -5.2027 -5.2027 -5.1934 -5.1934 -5.1872 -5.1872 -5.0788 -5.0788 -3.0853 -3.0853 -3.0620 -3.0620 -3.0525 -3.0525 -2.9941 -2.9941 -2.9093 -2.9093 -2.8630 -2.8630 0.6276 0.6276 0.8515 0.8515 2.1434 2.1434 2.3930 2.3930 2.8216 2.8216 2.9754 2.9754 3.4427 3.4427 4.8332 4.8332 9.2217 9.2217 11.3647 11.3647 12.0438 12.0438 12.4350 12.4350 k = 0.1271 0.1271-0.0000 ( 3519 PWs) bands (ev): -15.8172 -15.8172 -15.6415 -15.6415 -5.2031 -5.2031 -5.1952 -5.1952 -5.1878 -5.1878 -5.0776 -5.0776 -3.0862 -3.0862 -3.0646 -3.0646 -3.0555 -3.0555 -2.9924 -2.9924 -2.9049 -2.9049 -2.8620 -2.8620 0.6272 0.6272 0.8571 0.8571 2.1351 2.1351 2.4043 2.4043 2.7938 2.7938 2.9793 2.9793 3.4063 3.4063 4.8219 4.8219 9.1804 9.1804 11.4562 11.4562 12.1408 12.1408 12.5372 12.5372 k = 0.1186 0.1186-0.0000 ( 3527 PWs) bands (ev): -15.8203 -15.8203 -15.6407 -15.6407 -5.2036 -5.2036 -5.1969 -5.1969 -5.1885 -5.1885 -5.0765 -5.0765 -3.0870 -3.0870 -3.0673 -3.0673 -3.0582 -3.0582 -2.9905 -2.9905 -2.9009 -2.9009 -2.8607 -2.8607 0.6272 0.6272 0.8636 0.8636 2.1285 2.1285 2.4148 2.4148 2.7657 2.7657 2.9830 2.9830 3.3694 3.3694 4.8111 4.8111 9.1409 9.1409 11.5491 11.5491 12.2370 12.2370 12.6374 12.6374 k = 0.1102 0.1102-0.0000 ( 3521 PWs) bands (ev): -15.8232 -15.8232 -15.6400 -15.6400 -5.2040 -5.2040 -5.1984 -5.1984 -5.1891 -5.1891 -5.0754 -5.0754 -3.0878 -3.0878 -3.0700 -3.0700 -3.0604 -3.0604 -2.9886 -2.9886 -2.8975 -2.8975 -2.8593 -2.8593 0.6275 0.6275 0.8710 0.8710 2.1237 2.1237 2.4247 2.4247 2.7377 2.7377 2.9863 2.9863 3.3326 3.3326 4.8007 4.8007 9.1035 9.1035 11.6428 11.6428 12.3319 12.3319 12.7356 12.7356 k = 0.1017 0.1017-0.0000 ( 3521 PWs) bands (ev): -15.8259 -15.8259 -15.6394 -15.6394 -5.2045 -5.2045 -5.1998 -5.1998 -5.1897 -5.1897 -5.0744 -5.0744 -3.0886 -3.0886 -3.0727 -3.0727 -3.0622 -3.0622 -2.9867 -2.9867 -2.8945 -2.8945 -2.8576 -2.8576 0.6280 0.6280 0.8790 0.8790 2.1207 2.1207 2.4336 2.4336 2.7103 2.7103 2.9893 2.9893 3.2961 3.2961 4.7908 4.7908 9.0683 9.0683 11.7365 11.7365 12.4244 12.4244 12.8316 12.8316 k = 0.0932 0.0932-0.0000 ( 3521 PWs) bands (ev): -15.8284 -15.8284 -15.6388 -15.6388 -5.2048 -5.2048 -5.2011 -5.2011 -5.1903 -5.1903 -5.0734 -5.0734 -3.0892 -3.0892 -3.0752 -3.0752 -3.0638 -3.0638 -2.9848 -2.9848 -2.8921 -2.8921 -2.8557 -2.8557 0.6286 0.6286 0.8875 0.8875 2.1194 2.1194 2.4416 2.4416 2.6837 2.6837 2.9920 2.9920 3.2601 3.2601 4.7816 4.7816 9.0354 9.0354 11.8296 11.8296 12.5135 12.5135 12.9255 12.9255 k = 0.0847 0.0847-0.0000 ( 3521 PWs) bands (ev): -15.8307 -15.8307 -15.6382 -15.6382 -5.2052 -5.2052 -5.2022 -5.2022 -5.1908 -5.1908 -5.0725 -5.0725 -3.0898 -3.0898 -3.0777 -3.0777 -3.0651 -3.0651 -2.9829 -2.9829 -2.8901 -2.8901 -2.8536 -2.8536 0.6293 0.6293 0.8962 0.8962 2.1197 2.1197 2.4485 2.4485 2.6585 2.6585 2.9942 2.9942 3.2252 3.2252 4.7731 4.7731 9.0052 9.0052 11.9212 11.9212 12.5981 12.5981 13.0173 13.0173 k = 0.0763 0.0763-0.0000 ( 3521 PWs) bands (ev): -15.8329 -15.8329 -15.6378 -15.6378 -5.2055 -5.2055 -5.2032 -5.2032 -5.1913 -5.1913 -5.0717 -5.0717 -3.0904 -3.0904 -3.0799 -3.0799 -3.0661 -3.0661 -2.9811 -2.9811 -2.8885 -2.8885 -2.8515 -2.8515 0.6300 0.6300 0.9051 0.9051 2.1215 2.1215 2.4542 2.4542 2.6350 2.6350 2.9959 2.9959 3.1916 3.1916 4.7653 4.7653 8.9775 8.9775 12.0104 12.0104 12.6768 12.6768 13.1072 13.1072 k = 0.0678 0.0678-0.0000 ( 3529 PWs) bands (ev): -15.8348 -15.8348 -15.6373 -15.6373 -5.2059 -5.2059 -5.2041 -5.2041 -5.1918 -5.1918 -5.0709 -5.0709 -3.0910 -3.0910 -3.0820 -3.0820 -3.0670 -3.0670 -2.9795 -2.9795 -2.8873 -2.8873 -2.8494 -2.8494 0.6307 0.6307 0.9138 0.9138 2.1245 2.1245 2.4585 2.4585 2.6137 2.6137 2.9971 2.9971 3.1600 3.1600 4.7583 4.7583 8.9526 8.9526 12.0962 12.0962 12.7484 12.7484 13.1953 13.1953 k = 0.0593 0.0593-0.0000 ( 3529 PWs) bands (ev): -15.8366 -15.8366 -15.6370 -15.6370 -5.2062 -5.2062 -5.2048 -5.2048 -5.1923 -5.1923 -5.0702 -5.0702 -3.0915 -3.0915 -3.0838 -3.0838 -3.0678 -3.0678 -2.9780 -2.9780 -2.8864 -2.8864 -2.8474 -2.8474 0.6314 0.6314 0.9222 0.9222 2.1284 2.1284 2.4612 2.4612 2.5952 2.5952 2.9976 2.9976 3.1310 3.1310 4.7521 4.7521 8.9305 8.9305 12.1773 12.1773 12.8118 12.8118 13.2813 13.2813 k = 0.0508 0.0508-0.0000 ( 3529 PWs) bands (ev): -15.8381 -15.8381 -15.6366 -15.6366 -5.2065 -5.2065 -5.2053 -5.2053 -5.1927 -5.1927 -5.0696 -5.0696 -3.0920 -3.0920 -3.0853 -3.0853 -3.0684 -3.0684 -2.9766 -2.9766 -2.8857 -2.8857 -2.8455 -2.8455 0.6320 0.6320 0.9301 0.9301 2.1329 2.1329 2.4624 2.4624 2.5797 2.5797 2.9972 2.9972 3.1051 3.1051 4.7467 4.7467 8.9113 8.9113 12.2525 12.2525 12.8661 12.8661 13.3645 13.3645 k = 0.0424 0.0424-0.0000 ( 3525 PWs) bands (ev): -15.8394 -15.8394 -15.6364 -15.6364 -5.2068 -5.2068 -5.2057 -5.2057 -5.1930 -5.1930 -5.0691 -5.0691 -3.0924 -3.0924 -3.0865 -3.0865 -3.0689 -3.0689 -2.9754 -2.9754 -2.8851 -2.8851 -2.8438 -2.8438 0.6325 0.6325 0.9371 0.9371 2.1376 2.1376 2.4619 2.4619 2.5677 2.5677 2.9956 2.9956 3.0833 3.0833 4.7421 4.7421 8.8949 8.8949 12.3203 12.3203 12.9110 12.9110 13.4433 13.4433 k = 0.0339 0.0339-0.0000 ( 3521 PWs) bands (ev): -15.8404 -15.8404 -15.6361 -15.6361 -5.2071 -5.2071 -5.2060 -5.2060 -5.1933 -5.1933 -5.0687 -5.0687 -3.0929 -3.0929 -3.0875 -3.0875 -3.0693 -3.0693 -2.9743 -2.9743 -2.8847 -2.8847 -2.8423 -2.8423 0.6329 0.6329 0.9432 0.9432 2.1421 2.1421 2.4602 2.4602 2.5588 2.5588 2.9926 2.9926 3.0661 3.0661 4.7383 4.7383 8.8815 8.8815 12.3791 12.3791 12.9466 12.9466 13.5155 13.5155 k = 0.0254 0.0254-0.0000 ( 3517 PWs) bands (ev): -15.8413 -15.8413 -15.6360 -15.6360 -5.2074 -5.2074 -5.2061 -5.2061 -5.1935 -5.1935 -5.0683 -5.0683 -3.0932 -3.0932 -3.0882 -3.0882 -3.0695 -3.0695 -2.9735 -2.9735 -2.8845 -2.8845 -2.8412 -2.8412 0.6332 0.6332 0.9482 0.9482 2.1461 2.1461 2.4577 2.4577 2.5529 2.5529 2.9884 2.9884 3.0540 3.0540 4.7354 4.7354 8.8711 8.8711 12.4272 12.4272 12.9731 12.9731 13.5779 13.5779 k = 0.0169 0.0169-0.0000 ( 3523 PWs) bands (ev): -15.8419 -15.8419 -15.6358 -15.6358 -5.2076 -5.2076 -5.2063 -5.2063 -5.1937 -5.1937 -5.0681 -5.0681 -3.0935 -3.0935 -3.0887 -3.0887 -3.0698 -3.0698 -2.9729 -2.9729 -2.8843 -2.8843 -2.8404 -2.8404 0.6334 0.6334 0.9518 0.9518 2.1492 2.1492 2.4553 2.4553 2.5492 2.5492 2.9840 2.9840 3.0465 3.0465 4.7333 4.7333 8.8636 8.8636 12.4631 12.4631 12.9913 12.9913 13.6269 13.6269 k = 0.0085 0.0085-0.0000 ( 3519 PWs) bands (ev): -15.8422 -15.8422 -15.6358 -15.6358 -5.2077 -5.2077 -5.2064 -5.2064 -5.1938 -5.1938 -5.0679 -5.0679 -3.0937 -3.0937 -3.0889 -3.0889 -3.0699 -3.0699 -2.9726 -2.9726 -2.8842 -2.8842 -2.8398 -2.8398 0.6336 0.6336 0.9540 0.9540 2.1511 2.1511 2.4536 2.4536 2.5473 2.5473 2.9805 2.9805 3.0426 3.0426 4.7320 4.7320 8.8591 8.8591 12.4853 12.4853 13.0019 13.0019 13.6583 13.6583 k = 0.0000 0.0000 0.0000 ( 3519 PWs) bands (ev): -15.8423 -15.8423 -15.6357 -15.6357 -5.2077 -5.2077 -5.2064 -5.2064 -5.1938 -5.1938 -5.0679 -5.0679 -3.0938 -3.0938 -3.0890 -3.0890 -3.0699 -3.0699 -2.9725 -2.9725 -2.8841 -2.8841 -2.8397 -2.8397 0.6336 0.6336 0.9548 0.9548 2.1518 2.1518 2.4530 2.4530 2.5467 2.5467 2.9793 2.9793 3.0413 3.0413 4.7316 4.7316 8.8576 8.8576 12.4928 12.4928 13.0053 13.0053 13.6692 13.6692 k = 0.0000 0.0000 0.0000 ( 3519 PWs) bands (ev): -15.8423 -15.8423 -15.6357 -15.6357 -5.2077 -5.2077 -5.2064 -5.2064 -5.1938 -5.1938 -5.0679 -5.0679 -3.0938 -3.0938 -3.0890 -3.0890 -3.0699 -3.0699 -2.9725 -2.9725 -2.8841 -2.8841 -2.8397 -2.8397 0.6336 0.6336 0.9548 0.9548 2.1518 2.1518 2.4530 2.4530 2.5467 2.5467 2.9793 2.9793 3.0413 3.0413 4.7316 4.7316 8.8576 8.8576 12.4928 12.4928 13.0053 13.0053 13.6692 13.6692 k = 0.0000 0.0000 0.0119 ( 3519 PWs) bands (ev): -15.8423 -15.8423 -15.6357 -15.6357 -5.2077 -5.2077 -5.2064 -5.2064 -5.1938 -5.1938 -5.0680 -5.0680 -3.0938 -3.0938 -3.0890 -3.0890 -3.0699 -3.0699 -2.9724 -2.9724 -2.8842 -2.8842 -2.8398 -2.8398 0.6230 0.6230 0.9660 0.9660 2.1532 2.1532 2.4532 2.4532 2.5468 2.5468 2.9792 2.9792 3.0413 3.0413 4.7302 4.7302 8.8592 8.8592 12.4919 12.4919 13.0030 13.0030 13.6689 13.6689 k = 0.0000 0.0000 0.0238 ( 3534 PWs) bands (ev): -15.8423 -15.8423 -15.6358 -15.6358 -5.2077 -5.2077 -5.2064 -5.2064 -5.1939 -5.1939 -5.0684 -5.0684 -3.0941 -3.0941 -3.0889 -3.0889 -3.0699 -3.0699 -2.9722 -2.9722 -2.8845 -2.8845 -2.8403 -2.8403 0.5947 0.5947 0.9958 0.9958 2.1573 2.1573 2.4538 2.4538 2.5472 2.5472 2.9790 2.9790 3.0412 3.0412 4.7261 4.7261 8.8642 8.8642 12.4893 12.4893 12.9960 12.9960 13.6679 13.6679 k = 0.0000 0.0000 0.0356 ( 3526 PWs) bands (ev): -15.8422 -15.8422 -15.6357 -15.6357 -5.2075 -5.2075 -5.2063 -5.2063 -5.1939 -5.1939 -5.0689 -5.0689 -3.0943 -3.0943 -3.0887 -3.0887 -3.0699 -3.0699 -2.9718 -2.9718 -2.8850 -2.8850 -2.8411 -2.8411 0.5559 0.5559 1.0373 1.0373 2.1642 2.1642 2.4549 2.4549 2.5479 2.5479 2.9787 2.9787 3.0409 3.0409 4.7191 4.7191 8.8724 8.8724 12.4849 12.4849 12.9842 12.9842 13.6664 13.6664 k = 0.0000 0.0000 0.0475 ( 3514 PWs) bands (ev): -15.8421 -15.8421 -15.6358 -15.6358 -5.2071 -5.2071 -5.2062 -5.2062 -5.1940 -5.1940 -5.0696 -5.0696 -3.0946 -3.0946 -3.0884 -3.0884 -3.0699 -3.0699 -2.9712 -2.9712 -2.8855 -2.8855 -2.8421 -2.8421 0.5116 0.5116 1.0848 1.0848 2.1742 2.1742 2.4564 2.4564 2.5489 2.5489 2.9783 2.9783 3.0406 3.0406 4.7094 4.7094 8.8839 8.8839 12.4788 12.4788 12.9677 12.9677 13.6643 13.6643 k = 0.0000 0.0000 0.0594 ( 3514 PWs) bands (ev): -15.8420 -15.8420 -15.6358 -15.6358 -5.2068 -5.2068 -5.2061 -5.2061 -5.1940 -5.1940 -5.0706 -5.0706 -3.0951 -3.0951 -3.0881 -3.0881 -3.0698 -3.0698 -2.9705 -2.9705 -2.8863 -2.8863 -2.8434 -2.8434 0.4649 0.4649 1.1352 1.1352 2.1874 2.1874 2.4584 2.4584 2.5501 2.5501 2.9778 2.9778 3.0402 3.0402 4.6968 4.6968 8.8988 8.8988 12.4707 12.4707 12.9464 12.9464 13.6617 13.6617 k = 0.0000 0.0000 0.0713 ( 3514 PWs) bands (ev): -15.8419 -15.8419 -15.6358 -15.6358 -5.2064 -5.2064 -5.2059 -5.2059 -5.1941 -5.1941 -5.0717 -5.0717 -3.0956 -3.0956 -3.0877 -3.0877 -3.0698 -3.0698 -2.9696 -2.9696 -2.8872 -2.8872 -2.8450 -2.8450 0.4177 0.4177 1.1861 1.1861 2.2040 2.2040 2.4608 2.4608 2.5515 2.5515 2.9772 2.9772 3.0396 3.0396 4.6814 4.6814 8.9169 8.9169 12.4607 12.4607 12.9203 12.9203 13.6585 13.6585 k = 0.0000 0.0000 0.0832 ( 3514 PWs) bands (ev): -15.8417 -15.8417 -15.6358 -15.6358 -5.2060 -5.2060 -5.2057 -5.2057 -5.1943 -5.1943 -5.0731 -5.0731 -3.0962 -3.0962 -3.0872 -3.0872 -3.0698 -3.0698 -2.9685 -2.9685 -2.8883 -2.8883 -2.8469 -2.8469 0.3709 0.3709 1.2362 1.2362 2.2243 2.2243 2.4639 2.4639 2.5532 2.5532 2.9764 2.9764 3.0390 3.0390 4.6631 4.6631 8.9384 8.9384 12.4485 12.4485 12.8895 12.8895 13.6548 13.6548 k = 0.0000 0.0000 0.0950 ( 3514 PWs) bands (ev): -15.8416 -15.8416 -15.6358 -15.6358 -5.2056 -5.2056 -5.2054 -5.2054 -5.1944 -5.1944 -5.0746 -5.0746 -3.0968 -3.0968 -3.0868 -3.0868 -3.0698 -3.0698 -2.9673 -2.9673 -2.8895 -2.8895 -2.8490 -2.8490 0.3251 0.3251 1.2845 1.2845 2.2484 2.2484 2.4678 2.4678 2.5551 2.5551 2.9756 2.9756 3.0384 3.0384 4.6419 4.6419 8.9632 8.9632 12.4338 12.4338 12.8542 12.8542 13.6508 13.6508 k = 0.0000 0.0000 0.1069 ( 3514 PWs) bands (ev): -15.8414 -15.8414 -15.6358 -15.6358 -5.2054 -5.2054 -5.2049 -5.2049 -5.1946 -5.1946 -5.0763 -5.0763 -3.0975 -3.0975 -3.0863 -3.0863 -3.0697 -3.0697 -2.9659 -2.9659 -2.8908 -2.8908 -2.8514 -2.8514 0.2809 0.2809 1.3300 1.3300 2.2762 2.2762 2.4726 2.4726 2.5571 2.5571 2.9747 2.9747 3.0376 3.0376 4.6179 4.6179 8.9912 8.9912 12.4161 12.4161 12.8150 12.8150 13.6463 13.6463 k = 0.0000 0.0000 0.1188 ( 3506 PWs) bands (ev): -15.8412 -15.8412 -15.6358 -15.6358 -5.2051 -5.2051 -5.2041 -5.2041 -5.1947 -5.1947 -5.0781 -5.0781 -3.0982 -3.0982 -3.0857 -3.0857 -3.0697 -3.0697 -2.9643 -2.9643 -2.8923 -2.8923 -2.8540 -2.8540 0.2385 0.2385 1.3722 1.3722 2.3075 2.3075 2.4791 2.4791 2.5593 2.5593 2.9738 2.9738 3.0368 3.0368 4.5910 4.5910 9.0225 9.0225 12.3949 12.3949 12.7727 12.7727 13.6416 13.6416 k = 0.0000 0.0000 0.1307 ( 3474 PWs) bands (ev): -15.8410 -15.8410 -15.6358 -15.6358 -5.2048 -5.2048 -5.2033 -5.2033 -5.1949 -5.1949 -5.0800 -5.0800 -3.0989 -3.0989 -3.0850 -3.0850 -3.0696 -3.0696 -2.9625 -2.9625 -2.8937 -2.8937 -2.8568 -2.8568 0.1981 0.1981 1.4106 1.4106 2.3410 2.3410 2.4881 2.4881 2.5616 2.5616 2.9728 2.9728 3.0360 3.0360 4.5614 4.5614 9.0568 9.0568 12.3689 12.3689 12.7285 12.7285 13.6366 13.6366 k = 0.0000 0.0000 0.1426 ( 3482 PWs) bands (ev): -15.8408 -15.8408 -15.6358 -15.6358 -5.2046 -5.2046 -5.2026 -5.2026 -5.1951 -5.1951 -5.0819 -5.0819 -3.0997 -3.0997 -3.0845 -3.0845 -3.0696 -3.0696 -2.9606 -2.9606 -2.8953 -2.8953 -2.8598 -2.8598 0.1599 0.1599 1.4451 1.4451 2.3744 2.3744 2.5019 2.5019 2.5639 2.5639 2.9717 2.9717 3.0352 3.0352 4.5290 4.5290 9.0940 9.0940 12.3371 12.3371 12.6843 12.6843 13.6314 13.6314 k = 0.0000 0.0000 0.1544 ( 3482 PWs) bands (ev): -15.8406 -15.8406 -15.6358 -15.6358 -5.2043 -5.2043 -5.2018 -5.2018 -5.1953 -5.1953 -5.0839 -5.0839 -3.1005 -3.1005 -3.0839 -3.0839 -3.0695 -3.0695 -2.9586 -2.9586 -2.8969 -2.8969 -2.8630 -2.8630 0.1240 0.1240 1.4755 1.4755 2.4039 2.4039 2.5239 2.5239 2.5663 2.5663 2.9707 2.9707 3.0343 3.0343 4.4942 4.4942 9.1338 9.1338 12.2982 12.2982 12.6421 12.6421 13.6262 13.6262 k = 0.0000 0.0000 0.1663 ( 3478 PWs) bands (ev): -15.8404 -15.8404 -15.6358 -15.6358 -5.2041 -5.2041 -5.2010 -5.2010 -5.1955 -5.1955 -5.0860 -5.0860 -3.1013 -3.1013 -3.0833 -3.0833 -3.0694 -3.0694 -2.9563 -2.9563 -2.8985 -2.8985 -2.8663 -2.8663 0.0906 0.0906 1.5019 1.5019 2.4260 2.4260 2.5571 2.5571 2.5688 2.5688 2.9696 2.9696 3.0334 3.0334 4.4569 4.4569 9.1761 9.1761 12.2512 12.2512 12.6037 12.6037 13.6209 13.6209 k = 0.0000 0.0000 0.1782 ( 3478 PWs) bands (ev): -15.8402 -15.8402 -15.6359 -15.6359 -5.2038 -5.2038 -5.2002 -5.2002 -5.1957 -5.1957 -5.0880 -5.0880 -3.1020 -3.1020 -3.0828 -3.0828 -3.0694 -3.0694 -2.9539 -2.9539 -2.9001 -2.9001 -2.8699 -2.8699 0.0596 0.0596 1.5247 1.5247 2.4406 2.4406 2.5711 2.5711 2.6007 2.6007 2.9686 2.9686 3.0325 3.0325 4.4175 4.4175 9.2203 9.2203 12.1962 12.1962 12.5702 12.5702 13.6157 13.6157 k = 0.0000 0.0000 0.1901 ( 3474 PWs) bands (ev): -15.8400 -15.8400 -15.6359 -15.6359 -5.2035 -5.2035 -5.1993 -5.1993 -5.1959 -5.1959 -5.0900 -5.0900 -3.1027 -3.1027 -3.0823 -3.0823 -3.0693 -3.0693 -2.9513 -2.9513 -2.9016 -2.9016 -2.8735 -2.8735 0.0312 0.0312 1.5440 1.5440 2.4504 2.4504 2.5735 2.5735 2.6514 2.6514 2.9676 2.9676 3.0316 3.0316 4.3764 4.3764 9.2660 9.2660 12.1343 12.1343 12.5420 12.5420 13.6106 13.6106 k = 0.0000 0.0000 0.2020 ( 3486 PWs) bands (ev): -15.8398 -15.8398 -15.6359 -15.6359 -5.2032 -5.2032 -5.1985 -5.1985 -5.1962 -5.1962 -5.0921 -5.0921 -3.1034 -3.1034 -3.0818 -3.0818 -3.0692 -3.0692 -2.9485 -2.9485 -2.9032 -2.9032 -2.8774 -2.8774 0.0054 0.0054 1.5603 1.5603 2.4572 2.4572 2.5757 2.5757 2.7061 2.7061 2.9668 2.9668 3.0307 3.0307 4.3339 4.3339 9.3126 9.3126 12.0675 12.0675 12.5185 12.5185 13.6058 13.6058 k = 0.0000 0.0000 0.2139 ( 3486 PWs) bands (ev): -15.8396 -15.8396 -15.6359 -15.6359 -5.2029 -5.2029 -5.1977 -5.1977 -5.1964 -5.1964 -5.0940 -5.0940 -3.1040 -3.1040 -3.0813 -3.0813 -3.0692 -3.0692 -2.9456 -2.9456 -2.9046 -2.9046 -2.8812 -2.8812 -0.0178 -0.0178 1.5739 1.5739 2.4624 2.4624 2.5778 2.5778 2.7625 2.7625 2.9660 2.9660 3.0299 3.0299 4.2906 4.2906 9.3592 9.3592 11.9983 11.9983 12.4992 12.4992 13.6012 13.6012 k = 0.0000 0.0000 0.2257 ( 3494 PWs) bands (ev): -15.8395 -15.8395 -15.6359 -15.6359 -5.2027 -5.2027 -5.1969 -5.1969 -5.1967 -5.1967 -5.0958 -5.0958 -3.1046 -3.1046 -3.0809 -3.0809 -3.0691 -3.0691 -2.9426 -2.9426 -2.9060 -2.9060 -2.8851 -2.8851 -0.0383 -0.0383 1.5852 1.5852 2.4665 2.4665 2.5798 2.5798 2.8187 2.8187 2.9656 2.9656 3.0292 3.0292 4.2472 4.2472 9.4050 9.4050 11.9291 11.9291 12.4832 12.4832 13.5970 13.5970 k = 0.0000 0.0000 0.2376 ( 3490 PWs) bands (ev): -15.8393 -15.8393 -15.6359 -15.6359 -5.2024 -5.2024 -5.1969 -5.1969 -5.1962 -5.1962 -5.0974 -5.0974 -3.1051 -3.1051 -3.0806 -3.0806 -3.0690 -3.0690 -2.9395 -2.9395 -2.9072 -2.9072 -2.8891 -2.8891 -0.0561 -0.0561 1.5943 1.5943 2.4698 2.4698 2.5815 2.5815 2.8727 2.8727 2.9660 2.9660 3.0285 3.0285 4.2048 4.2048 9.4488 9.4488 11.8625 11.8625 12.4700 12.4700 13.5932 13.5932 k = 0.0000 0.0000 0.2495 ( 3494 PWs) bands (ev): -15.8392 -15.8392 -15.6359 -15.6359 -5.2021 -5.2021 -5.1971 -5.1971 -5.1956 -5.1956 -5.0988 -5.0988 -3.1055 -3.1055 -3.0803 -3.0803 -3.0690 -3.0690 -2.9362 -2.9362 -2.9083 -2.9083 -2.8930 -2.8930 -0.0712 -0.0712 1.6016 1.6016 2.4725 2.4725 2.5831 2.5831 2.9210 2.9210 2.9688 2.9688 3.0279 3.0279 4.1644 4.1644 9.4894 9.4894 11.8008 11.8008 12.4594 12.4594 13.5899 13.5899 k = 0.0000 0.0000 0.2614 ( 3490 PWs) bands (ev): -15.8391 -15.8391 -15.6360 -15.6360 -5.2019 -5.2019 -5.1973 -5.1973 -5.1950 -5.1950 -5.1000 -5.1000 -3.1059 -3.1059 -3.0800 -3.0800 -3.0689 -3.0689 -2.9330 -2.9330 -2.9092 -2.9092 -2.8968 -2.8968 -0.0835 -0.0835 1.6074 1.6074 2.4746 2.4746 2.5844 2.5844 2.9501 2.9501 2.9858 2.9858 3.0274 3.0274 4.1275 4.1275 9.5255 9.5255 11.7464 11.7464 12.4509 12.4509 13.5871 13.5871 k = 0.0000 0.0000 0.2733 ( 3490 PWs) bands (ev): -15.8390 -15.8390 -15.6360 -15.6360 -5.2017 -5.2017 -5.1975 -5.1975 -5.1946 -5.1946 -5.1010 -5.1010 -3.1062 -3.1062 -3.0798 -3.0798 -3.0689 -3.0689 -2.9298 -2.9298 -2.9099 -2.9099 -2.9004 -2.9004 -0.0931 -0.0931 1.6116 1.6116 2.4762 2.4762 2.5854 2.5854 2.9562 2.9562 3.0187 3.0187 3.0270 3.0270 4.0959 4.0959 9.5556 9.5556 11.7013 11.7013 12.4444 12.4444 13.5849 13.5849 k = 0.0000 0.0000 0.2851 ( 3498 PWs) bands (ev): -15.8389 -15.8389 -15.6360 -15.6360 -5.2015 -5.2015 -5.1977 -5.1977 -5.1943 -5.1943 -5.1017 -5.1017 -3.1064 -3.1064 -3.0797 -3.0797 -3.0689 -3.0689 -2.9269 -2.9269 -2.9105 -2.9105 -2.9037 -2.9037 -0.1000 -0.1000 1.6146 1.6146 2.4774 2.4774 2.5861 2.5861 2.9574 2.9574 3.0267 3.0267 3.0475 3.0475 4.0713 4.0713 9.5782 9.5782 11.6676 11.6676 12.4399 12.4399 13.5833 13.5833 k = 0.0000 0.0000 0.2970 ( 3506 PWs) bands (ev): -15.8389 -15.8389 -15.6360 -15.6360 -5.2014 -5.2014 -5.1978 -5.1978 -5.1941 -5.1941 -5.1021 -5.1021 -3.1065 -3.1065 -3.0796 -3.0796 -3.0689 -3.0689 -2.9247 -2.9247 -2.9108 -2.9108 -2.9061 -2.9061 -0.1042 -0.1042 1.6163 1.6163 2.4780 2.4780 2.5866 2.5866 2.9578 2.9578 3.0265 3.0265 3.0660 3.0660 4.0557 4.0557 9.5923 9.5923 11.6467 11.6467 12.4372 12.4372 13.5823 13.5823 k = 0.0000 0.0000 0.3089 ( 3514 PWs) bands (ev): -15.8389 -15.8389 -15.6360 -15.6360 -5.2014 -5.2014 -5.1978 -5.1978 -5.1941 -5.1941 -5.1023 -5.1023 -3.1066 -3.1066 -3.0796 -3.0796 -3.0689 -3.0689 -2.9238 -2.9238 -2.9109 -2.9109 -2.9071 -2.9071 -0.1055 -0.1055 1.6169 1.6169 2.4783 2.4783 2.5867 2.5867 2.9578 2.9578 3.0264 3.0264 3.0724 3.0724 4.0503 4.0503 9.5972 9.5972 11.6396 11.6396 12.4363 12.4363 13.5819 13.5819 k = 0.0000 0.0000 0.3089 ( 3514 PWs) bands (ev): -15.8389 -15.8389 -15.6360 -15.6360 -5.2014 -5.2014 -5.1978 -5.1978 -5.1941 -5.1941 -5.1023 -5.1023 -3.1066 -3.1066 -3.0796 -3.0796 -3.0689 -3.0689 -2.9238 -2.9238 -2.9109 -2.9109 -2.9071 -2.9071 -0.1055 -0.1055 1.6169 1.6169 2.4783 2.4783 2.5867 2.5867 2.9578 2.9578 3.0264 3.0264 3.0724 3.0724 4.0503 4.0503 9.5972 9.5972 11.6396 11.6396 12.4363 12.4363 13.5819 13.5819 k = 0.0000 0.0119 0.3089 ( 3516 PWs) bands (ev): -15.8388 -15.8388 -15.6360 -15.6360 -5.2014 -5.2014 -5.1979 -5.1979 -5.1939 -5.1939 -5.1023 -5.1023 -3.1066 -3.1066 -3.0796 -3.0796 -3.0688 -3.0688 -2.9240 -2.9240 -2.9109 -2.9109 -2.9071 -2.9071 -0.1050 -0.1050 1.6141 1.6141 2.4787 2.4787 2.5871 2.5871 2.9572 2.9572 3.0221 3.0221 3.0816 3.0816 4.0504 4.0504 9.5979 9.5979 11.6303 11.6303 12.4377 12.4377 13.5757 13.5757 k = 0.0000 0.0238 0.3089 ( 3508 PWs) bands (ev): -15.8384 -15.8384 -15.6361 -15.6361 -5.2014 -5.2014 -5.1981 -5.1981 -5.1935 -5.1935 -5.1024 -5.1024 -3.1066 -3.1066 -3.0794 -3.0794 -3.0685 -3.0685 -2.9247 -2.9247 -2.9109 -2.9109 -2.9073 -2.9073 -0.1035 -0.1035 1.6059 1.6059 2.4801 2.4801 2.5883 2.5883 2.9554 2.9554 3.0149 3.0149 3.1034 3.1034 4.0508 4.0508 9.6003 9.6003 11.6027 11.6027 12.4418 12.4418 13.5577 13.5577 k = 0.0000 0.0357 0.3089 ( 3514 PWs) bands (ev): -15.8378 -15.8378 -15.6362 -15.6362 -5.2015 -5.2015 -5.1983 -5.1983 -5.1929 -5.1929 -5.1025 -5.1025 -3.1067 -3.1067 -3.0792 -3.0792 -3.0681 -3.0681 -2.9258 -2.9258 -2.9108 -2.9108 -2.9075 -2.9075 -0.1011 -0.1011 1.5924 1.5924 2.4823 2.4823 2.5902 2.5902 2.9527 2.9527 3.0095 3.0095 3.1325 3.1325 4.0514 4.0514 9.6041 9.6041 11.5575 11.5575 12.4482 12.4482 13.5296 13.5296 k = 0.0000 0.0476 0.3089 ( 3508 PWs) bands (ev): -15.8370 -15.8370 -15.6364 -15.6364 -5.2017 -5.2017 -5.1983 -5.1983 -5.1921 -5.1921 -5.1027 -5.1027 -3.1068 -3.1068 -3.0788 -3.0788 -3.0675 -3.0675 -2.9272 -2.9272 -2.9108 -2.9108 -2.9079 -2.9079 -0.0976 -0.0976 1.5740 1.5740 2.4855 2.4855 2.5929 2.5929 2.9495 2.9495 3.0067 3.0067 3.1671 3.1671 4.0522 4.0522 9.6093 9.6093 11.4957 11.4957 12.4562 12.4562 13.4939 13.4939 k = 0.0000 0.0595 0.3089 ( 3508 PWs) bands (ev): -15.8360 -15.8360 -15.6366 -15.6366 -5.2019 -5.2019 -5.1982 -5.1982 -5.1914 -5.1914 -5.1029 -5.1029 -3.1069 -3.1069 -3.0783 -3.0783 -3.0668 -3.0668 -2.9291 -2.9291 -2.9108 -2.9108 -2.9084 -2.9084 -0.0932 -0.0932 1.5513 1.5513 2.4896 2.4896 2.5964 2.5964 2.9465 2.9465 3.0061 3.0061 3.2066 3.2066 4.0533 4.0533 9.6157 9.6157 11.4186 11.4186 12.4655 12.4655 13.4526 13.4526 k = 0.0000 0.0714 0.3089 ( 3504 PWs) bands (ev): -15.8347 -15.8347 -15.6368 -15.6368 -5.2023 -5.2023 -5.1979 -5.1979 -5.1905 -5.1905 -5.1032 -5.1032 -3.1071 -3.1071 -3.0776 -3.0776 -3.0659 -3.0659 -2.9312 -2.9312 -2.9109 -2.9109 -2.9090 -2.9090 -0.0878 -0.0878 1.5248 1.5248 2.4946 2.4946 2.6007 2.6007 2.9440 2.9440 3.0072 3.0072 3.2504 3.2504 4.0547 4.0547 9.6230 9.6230 11.3276 11.3276 12.4752 12.4752 13.4074 13.4074 k = 0.0000 0.0833 0.3089 ( 3520 PWs) bands (ev): -15.8332 -15.8332 -15.6371 -15.6371 -5.2028 -5.2028 -5.1976 -5.1976 -5.1897 -5.1897 -5.1036 -5.1036 -3.1074 -3.1074 -3.0769 -3.0769 -3.0649 -3.0649 -2.9336 -2.9336 -2.9110 -2.9110 -2.9098 -2.9098 -0.0816 -0.0816 1.4950 1.4950 2.5005 2.5005 2.6059 2.6059 2.9422 2.9422 3.0096 3.0096 3.2982 3.2982 4.0564 4.0564 9.6309 9.6309 11.2245 11.2245 12.4848 12.4848 13.3590 13.3590 k = 0.0000 0.0952 0.3089 ( 3518 PWs) bands (ev): -15.8315 -15.8315 -15.6375 -15.6375 -5.2033 -5.2033 -5.1970 -5.1970 -5.1888 -5.1888 -5.1040 -5.1040 -3.1077 -3.1077 -3.0760 -3.0760 -3.0638 -3.0638 -2.9363 -2.9363 -2.9112 -2.9112 -2.9106 -2.9106 -0.0744 -0.0744 1.4626 1.4626 2.5074 2.5074 2.6119 2.6119 2.9412 2.9412 3.0129 3.0129 3.3497 3.3497 4.0584 4.0584 9.6389 9.6389 11.1111 11.1111 12.4935 12.4935 13.3074 13.3074 k = 0.0000 0.1071 0.3089 ( 3524 PWs) bands (ev): -15.8296 -15.8296 -15.6379 -15.6379 -5.2038 -5.2038 -5.1964 -5.1964 -5.1878 -5.1878 -5.1044 -5.1044 -3.1082 -3.1082 -3.0749 -3.0749 -3.0625 -3.0625 -2.9391 -2.9391 -2.9117 -2.9117 -2.9113 -2.9113 -0.0664 -0.0664 1.4279 1.4279 2.5151 2.5151 2.6189 2.6189 2.9411 2.9411 3.0171 3.0171 3.4042 3.4042 4.0609 4.0609 9.6465 9.6465 10.9892 10.9892 12.5006 12.5006 13.2521 13.2521 k = 0.0000 0.1190 0.3089 ( 3520 PWs) bands (ev): -15.8275 -15.8275 -15.6384 -15.6384 -5.2043 -5.2043 -5.1957 -5.1957 -5.1869 -5.1869 -5.1049 -5.1049 -3.1087 -3.1087 -3.0737 -3.0737 -3.0611 -3.0611 -2.9422 -2.9422 -2.9128 -2.9128 -2.9115 -2.9115 -0.0576 -0.0576 1.3915 1.3915 2.5236 2.5236 2.6267 2.6267 2.9416 2.9416 3.0218 3.0218 3.4617 3.4617 4.0637 4.0637 9.6528 9.6528 10.8609 10.8609 12.5047 12.5047 13.1927 13.1927 k = 0.0000 0.1310 0.3089 ( 3516 PWs) bands (ev): -15.8252 -15.8252 -15.6389 -15.6389 -5.2047 -5.2047 -5.1951 -5.1951 -5.1859 -5.1859 -5.1054 -5.1054 -3.1093 -3.1093 -3.0724 -3.0724 -3.0596 -3.0596 -2.9454 -2.9454 -2.9139 -2.9139 -2.9118 -2.9118 -0.0480 -0.0480 1.3538 1.3538 2.5330 2.5330 2.6354 2.6354 2.9429 2.9429 3.0271 3.0271 3.5215 3.5215 4.0671 4.0671 9.6567 9.6567 10.7283 10.7283 12.5043 12.5043 13.1298 13.1298 k = 0.0000 0.1429 0.3089 ( 3516 PWs) bands (ev): -15.8227 -15.8227 -15.6395 -15.6395 -5.2052 -5.2052 -5.1944 -5.1944 -5.1849 -5.1849 -5.1060 -5.1060 -3.1100 -3.1100 -3.0711 -3.0711 -3.0578 -3.0578 -2.9488 -2.9488 -2.9153 -2.9153 -2.9120 -2.9120 -0.0377 -0.0377 1.3152 1.3152 2.5433 2.5433 2.6449 2.6449 2.9447 2.9447 3.0328 3.0328 3.5835 3.5835 4.0710 4.0710 9.6566 9.6566 10.5940 10.5940 12.4966 12.4966 13.0661 13.0661 k = 0.0000 0.1548 0.3089 ( 3516 PWs) bands (ev): -15.8200 -15.8200 -15.6402 -15.6402 -5.2056 -5.2056 -5.1937 -5.1937 -5.1839 -5.1839 -5.1066 -5.1066 -3.1107 -3.1107 -3.0697 -3.0697 -3.0559 -3.0559 -2.9523 -2.9523 -2.9167 -2.9167 -2.9123 -2.9123 -0.0267 -0.0267 1.2760 1.2760 2.5544 2.5544 2.6554 2.6554 2.9470 2.9470 3.0389 3.0389 3.6473 3.6473 4.0755 4.0755 9.6503 9.6503 10.4608 10.4608 12.4786 12.4786 13.0059 13.0059 k = 0.0000 0.1667 0.3089 ( 3516 PWs) bands (ev): -15.8171 -15.8171 -15.6410 -15.6410 -5.2060 -5.2060 -5.1930 -5.1930 -5.1828 -5.1828 -5.1072 -5.1072 -3.1116 -3.1116 -3.0685 -3.0685 -3.0538 -3.0538 -2.9558 -2.9558 -2.9181 -2.9181 -2.9126 -2.9126 -0.0151 -0.0151 1.2365 1.2365 2.5663 2.5663 2.6667 2.6667 2.9498 2.9498 3.0452 3.0452 3.7125 3.7125 4.0809 4.0809 9.6345 9.6345 10.3325 10.3325 12.4468 12.4468 12.9548 12.9548 k = 0.0000 0.1786 0.3089 ( 3524 PWs) bands (ev): -15.8141 -15.8141 -15.6418 -15.6418 -5.2064 -5.2064 -5.1924 -5.1924 -5.1817 -5.1817 -5.1079 -5.1079 -3.1125 -3.1125 -3.0674 -3.0674 -3.0515 -3.0515 -2.9594 -2.9594 -2.9197 -2.9197 -2.9129 -2.9129 -0.0029 -0.0029 1.1970 1.1970 2.5790 2.5790 2.6789 2.6789 2.9530 2.9530 3.0517 3.0517 3.7787 3.7787 4.0872 4.0872 9.6044 9.6044 10.2139 10.2139 12.3996 12.3996 12.9170 12.9170 k = 0.0000 0.1905 0.3089 ( 3524 PWs) bands (ev): -15.8109 -15.8109 -15.6427 -15.6427 -5.2068 -5.2068 -5.1919 -5.1919 -5.1805 -5.1805 -5.1086 -5.1086 -3.1134 -3.1134 -3.0664 -3.0664 -3.0489 -3.0489 -2.9630 -2.9630 -2.9213 -2.9213 -2.9132 -2.9132 0.0099 0.0099 1.1575 1.1575 2.5925 2.5925 2.6918 2.6918 2.9565 2.9565 3.0583 3.0583 3.8454 3.8454 4.0949 4.0949 9.5546 9.5546 10.1105 10.1105 12.3388 12.3388 12.8934 12.8934 k = 0.0000 0.2024 0.3089 ( 3524 PWs) bands (ev): -15.8075 -15.8075 -15.6437 -15.6437 -5.2071 -5.2071 -5.1915 -5.1915 -5.1793 -5.1793 -5.1093 -5.1093 -3.1144 -3.1144 -3.0656 -3.0656 -3.0461 -3.0461 -2.9665 -2.9665 -2.9229 -2.9229 -2.9134 -2.9134 0.0232 0.0232 1.1184 1.1184 2.6068 2.6068 2.7055 2.7055 2.9604 2.9604 3.0650 3.0650 3.9118 3.9118 4.1044 4.1044 9.4811 9.4811 10.0260 10.0260 12.2688 12.2688 12.8818 12.8818 k = 0.0000 0.2143 0.3089 ( 3532 PWs) bands (ev): -15.8040 -15.8040 -15.6448 -15.6448 -5.2075 -5.2075 -5.1912 -5.1912 -5.1780 -5.1780 -5.1101 -5.1101 -3.1155 -3.1155 -3.0651 -3.0651 -3.0432 -3.0432 -2.9700 -2.9700 -2.9246 -2.9246 -2.9137 -2.9137 0.0369 0.0369 1.0798 1.0798 2.6220 2.6220 2.7198 2.7198 2.9645 2.9645 3.0717 3.0717 3.9763 3.9763 4.1174 4.1174 9.3850 9.3850 9.9590 9.9590 12.1952 12.1952 12.8791 12.8791 k = 0.0000 0.2262 0.3089 ( 3530 PWs) bands (ev): -15.8004 -15.8004 -15.6459 -15.6459 -5.2077 -5.2077 -5.1909 -5.1909 -5.1766 -5.1766 -5.1109 -5.1109 -3.1165 -3.1165 -3.0649 -3.0649 -3.0399 -3.0399 -2.9733 -2.9733 -2.9262 -2.9262 -2.9140 -2.9140 0.0510 0.0510 1.0417 1.0417 2.6379 2.6379 2.7348 2.7348 2.9688 2.9688 3.0782 3.0782 4.0350 4.0350 4.1375 4.1375 9.2717 9.2717 9.9036 9.9036 12.1228 12.1228 12.8825 12.8825 k = 0.0000 0.2381 0.3089 ( 3526 PWs) bands (ev): -15.7966 -15.7966 -15.6472 -15.6472 -5.2080 -5.2080 -5.1908 -5.1908 -5.1752 -5.1752 -5.1117 -5.1117 -3.1176 -3.1176 -3.0649 -3.0649 -3.0366 -3.0366 -2.9765 -2.9765 -2.9278 -2.9278 -2.9142 -2.9142 0.0654 0.0654 1.0044 1.0044 2.6545 2.6545 2.7503 2.7503 2.9732 2.9732 3.0847 3.0847 4.0795 4.0795 4.1727 4.1727 9.1476 9.1476 9.8530 9.8530 12.0554 12.0554 12.8897 12.8897 k = 0.0000 0.2500 0.3089 ( 3532 PWs) bands (ev): -15.7927 -15.7927 -15.6486 -15.6486 -5.2082 -5.2082 -5.1908 -5.1908 -5.1738 -5.1738 -5.1126 -5.1126 -3.1187 -3.1187 -3.0652 -3.0652 -3.0332 -3.0332 -2.9795 -2.9795 -2.9295 -2.9295 -2.9145 -2.9145 0.0801 0.0801 0.9679 0.9679 2.6719 2.6719 2.7663 2.7663 2.9778 2.9778 3.0909 3.0909 4.1074 4.1074 4.2256 4.2256 9.0179 9.0179 9.8015 9.8015 11.9960 11.9960 12.8994 12.8994 k = 0.0000 0.2619 0.3089 ( 3532 PWs) bands (ev): -15.7887 -15.7887 -15.6500 -15.6500 -5.2084 -5.2084 -5.1908 -5.1908 -5.1723 -5.1723 -5.1135 -5.1135 -3.1197 -3.1197 -3.0659 -3.0659 -3.0296 -3.0296 -2.9823 -2.9823 -2.9311 -2.9311 -2.9147 -2.9147 0.0951 0.0951 0.9322 0.9322 2.6898 2.6898 2.7827 2.7827 2.9824 2.9824 3.0968 3.0968 4.1271 4.1271 4.2874 4.2874 8.8864 8.8864 9.7456 9.7456 11.9467 11.9467 12.9104 12.9104 k = 0.0000 0.2738 0.3089 ( 3528 PWs) bands (ev): -15.7847 -15.7847 -15.6516 -15.6516 -5.2085 -5.2085 -5.1910 -5.1910 -5.1707 -5.1707 -5.1144 -5.1144 -3.1207 -3.1207 -3.0669 -3.0669 -3.0260 -3.0260 -2.9847 -2.9847 -2.9326 -2.9326 -2.9149 -2.9149 0.1102 0.1102 0.8975 0.8975 2.7084 2.7084 2.7993 2.7993 2.9870 2.9870 3.1024 3.1024 4.1445 4.1445 4.3520 4.3520 8.7554 8.7554 9.6830 9.6830 11.9087 11.9087 12.9219 12.9219 k = 0.0000 0.2857 0.3089 ( 3520 PWs) bands (ev): -15.7805 -15.7805 -15.6533 -15.6533 -5.2086 -5.2086 -5.1912 -5.1912 -5.1692 -5.1692 -5.1154 -5.1154 -3.1216 -3.1216 -3.0682 -3.0682 -3.0224 -3.0224 -2.9869 -2.9869 -2.9340 -2.9340 -2.9150 -2.9150 0.1256 0.1256 0.8638 0.8638 2.7275 2.7275 2.8163 2.8163 2.9917 2.9917 3.1076 3.1076 4.1619 4.1619 4.4168 4.4168 8.6269 8.6269 9.6127 9.6127 11.8826 11.8826 12.9333 12.9333 k = 0.0000 0.2976 0.3089 ( 3506 PWs) bands (ev): -15.7763 -15.7763 -15.6550 -15.6550 -5.2087 -5.2087 -5.1916 -5.1916 -5.1675 -5.1675 -5.1164 -5.1164 -3.1225 -3.1225 -3.0698 -3.0698 -3.0188 -3.0188 -2.9888 -2.9888 -2.9353 -2.9353 -2.9152 -2.9152 0.1410 0.1410 0.8310 0.8310 2.7469 2.7469 2.8333 2.8333 2.9963 2.9963 3.1123 3.1123 4.1803 4.1803 4.4805 4.4805 8.5023 8.5023 9.5346 9.5346 11.8684 11.8684 12.9440 12.9440 k = 0.0000 0.3095 0.3089 ( 3502 PWs) bands (ev): -15.7720 -15.7720 -15.6569 -15.6569 -5.2087 -5.2087 -5.1920 -5.1920 -5.1659 -5.1659 -5.1174 -5.1174 -3.1233 -3.1233 -3.0717 -3.0717 -3.0153 -3.0153 -2.9903 -2.9903 -2.9365 -2.9365 -2.9154 -2.9154 0.1566 0.1566 0.7993 0.7993 2.7666 2.7666 2.8504 2.8504 3.0007 3.0007 3.1165 3.1165 4.2001 4.2001 4.5423 4.5423 8.3828 8.3828 9.4490 9.4490 11.8657 11.8657 12.9534 12.9534 k = 0.0000 0.3214 0.3089 ( 3502 PWs) bands (ev): -15.7676 -15.7676 -15.6590 -15.6590 -5.2087 -5.2087 -5.1925 -5.1925 -5.1643 -5.1643 -5.1185 -5.1185 -3.1241 -3.1241 -3.0740 -3.0740 -3.0120 -3.0120 -2.9915 -2.9915 -2.9376 -2.9376 -2.9156 -2.9156 0.1723 0.1723 0.7686 0.7686 2.7865 2.7865 2.8675 2.8675 3.0050 3.0050 3.1201 3.1201 4.2216 4.2216 4.6014 4.6014 8.2695 8.2695 9.3568 9.3568 11.8736 11.8736 12.9610 12.9610 k = 0.0000 0.3333 0.3089 ( 3502 PWs) bands (ev): -15.7633 -15.7633 -15.6611 -15.6611 -5.2086 -5.2086 -5.1930 -5.1930 -5.1626 -5.1626 -5.1196 -5.1196 -3.1247 -3.1247 -3.0764 -3.0764 -3.0089 -3.0089 -2.9925 -2.9925 -2.9385 -2.9385 -2.9159 -2.9159 0.1880 0.1880 0.7390 0.7390 2.8063 2.8063 2.8846 2.8846 3.0090 3.0090 3.1230 3.1230 4.2450 4.2450 4.6570 4.6570 8.1635 8.1635 9.2589 9.2589 11.8912 11.8912 12.9663 12.9663 k = 0.0000 0.3452 0.3089 ( 3506 PWs) bands (ev): -15.7589 -15.7589 -15.6634 -15.6634 -5.2085 -5.2085 -5.1937 -5.1937 -5.1610 -5.1610 -5.1208 -5.1208 -3.1252 -3.1252 -3.0791 -3.0791 -3.0061 -3.0061 -2.9931 -2.9931 -2.9392 -2.9392 -2.9162 -2.9162 0.2037 0.2037 0.7103 0.7103 2.8261 2.8261 2.9014 2.9014 3.0128 3.0128 3.1253 3.1253 4.2705 4.2705 4.7085 4.7085 8.0660 8.0660 9.1566 9.1566 11.9173 11.9173 12.9687 12.9687 k = 0.0000 0.3571 0.3089 ( 3514 PWs) bands (ev): -15.7545 -15.7545 -15.6657 -15.6657 -5.2084 -5.2084 -5.1943 -5.1943 -5.1593 -5.1593 -5.1220 -5.1220 -3.1255 -3.1255 -3.0819 -3.0819 -3.0036 -3.0036 -2.9934 -2.9934 -2.9397 -2.9397 -2.9165 -2.9165 0.2195 0.2195 0.6827 0.6827 2.8455 2.8455 2.9180 2.9180 3.0162 3.0162 3.1268 3.1268 4.2982 4.2982 4.7550 4.7550 7.9778 7.9778 9.0511 9.0511 11.9508 11.9508 12.9676 12.9676 k = 0.0000 0.3690 0.3089 ( 3526 PWs) bands (ev): -15.7500 -15.7500 -15.6683 -15.6683 -5.2083 -5.2083 -5.1951 -5.1951 -5.1577 -5.1577 -5.1233 -5.1233 -3.1257 -3.1257 -3.0849 -3.0849 -3.0015 -3.0015 -2.9934 -2.9934 -2.9399 -2.9399 -2.9170 -2.9170 0.2354 0.2354 0.6561 0.6561 2.8644 2.8644 2.9342 2.9342 3.0193 3.0193 3.1275 3.1275 4.3282 4.3282 4.7957 4.7957 7.9001 7.9001 8.9434 8.9434 11.9907 11.9907 12.9627 12.9627 k = 0.0000 0.3810 0.3089 ( 3526 PWs) bands (ev): -15.7456 -15.7456 -15.6709 -15.6709 -5.2080 -5.2080 -5.1958 -5.1958 -5.1560 -5.1560 -5.1246 -5.1246 -3.1258 -3.1258 -3.0880 -3.0880 -2.9999 -2.9999 -2.9930 -2.9930 -2.9399 -2.9399 -2.9174 -2.9174 0.2513 0.2513 0.6304 0.6304 2.8828 2.8828 2.9501 2.9501 3.0219 3.0219 3.1275 3.1275 4.3604 4.3604 4.8299 4.8299 7.8339 7.8339 8.8346 8.8346 12.0359 12.0359 12.9534 12.9534 k = 0.0000 0.3929 0.3089 ( 3530 PWs) bands (ev): -15.7412 -15.7412 -15.6737 -15.6737 -5.2078 -5.2078 -5.1966 -5.1966 -5.1543 -5.1543 -5.1259 -5.1259 -3.1257 -3.1257 -3.0911 -3.0911 -2.9986 -2.9986 -2.9925 -2.9925 -2.9396 -2.9396 -2.9180 -2.9180 0.2672 0.2672 0.6057 0.6057 2.9004 2.9004 2.9655 2.9655 3.0240 3.0240 3.1266 3.1266 4.3949 4.3949 4.8568 4.8568 7.7800 7.7800 8.7257 8.7257 12.0854 12.0854 12.9395 12.9395 k = 0.0000 0.4048 0.3089 ( 3530 PWs) bands (ev): -15.7368 -15.7368 -15.6765 -15.6765 -5.2075 -5.2075 -5.1973 -5.1973 -5.1526 -5.1526 -5.1273 -5.1273 -3.1253 -3.1253 -3.0941 -3.0941 -2.9977 -2.9977 -2.9918 -2.9918 -2.9389 -2.9389 -2.9187 -2.9187 0.2833 0.2833 0.5819 0.5819 2.9171 2.9171 2.9805 2.9805 3.0255 3.0255 3.1248 3.1248 4.4314 4.4314 4.8759 4.8759 7.7392 7.7392 8.6177 8.6177 12.1385 12.1385 12.9207 12.9207 k = 0.0000 0.4167 0.3089 ( 3522 PWs) bands (ev): -15.7325 -15.7325 -15.6795 -15.6795 -5.2071 -5.2071 -5.1981 -5.1981 -5.1509 -5.1509 -5.1287 -5.1287 -3.1248 -3.1248 -3.0972 -3.0972 -2.9969 -2.9969 -2.9912 -2.9912 -2.9380 -2.9380 -2.9194 -2.9194 0.2994 0.2994 0.5590 0.5590 2.9328 2.9328 2.9949 2.9949 3.0264 3.0264 3.1221 3.1221 4.4698 4.4698 4.8868 4.8868 7.7119 7.7119 8.5114 8.5114 12.1943 12.1943 12.8968 12.8968 k = 0.0000 0.4286 0.3089 ( 3532 PWs) bands (ev): -15.7282 -15.7282 -15.6826 -15.6826 -5.2067 -5.2067 -5.1989 -5.1989 -5.1493 -5.1493 -5.1302 -5.1302 -3.1241 -3.1241 -3.1002 -3.1002 -2.9962 -2.9962 -2.9909 -2.9909 -2.9369 -2.9369 -2.9203 -2.9203 0.3157 0.3157 0.5369 0.5369 2.9473 2.9473 3.0087 3.0087 3.0265 3.0265 3.1185 3.1185 4.5099 4.5099 4.8895 4.8895 7.6986 7.6986 8.4078 8.4078 12.2521 12.2521 12.8678 12.8678 k = 0.0000 0.4405 0.3089 ( 3532 PWs) bands (ev): -15.7240 -15.7240 -15.6859 -15.6859 -5.2063 -5.2063 -5.1997 -5.1997 -5.1476 -5.1476 -5.1316 -5.1316 -3.1232 -3.1232 -3.1031 -3.1031 -2.9955 -2.9955 -2.9907 -2.9907 -2.9356 -2.9356 -2.9213 -2.9213 0.3321 0.3321 0.5155 0.5155 2.9607 2.9607 3.0217 3.0217 3.0262 3.0262 3.1140 3.1140 4.5513 4.5513 4.8840 4.8840 7.6991 7.6991 8.3076 8.3076 12.3112 12.3112 12.8340 12.8340 k = 0.0000 0.4524 0.3089 ( 3538 PWs) bands (ev): -15.7198 -15.7198 -15.6892 -15.6892 -5.2058 -5.2058 -5.2005 -5.2005 -5.1459 -5.1459 -5.1331 -5.1331 -3.1221 -3.1221 -3.1059 -3.1059 -2.9949 -2.9949 -2.9907 -2.9907 -2.9342 -2.9342 -2.9224 -2.9224 0.3488 0.3488 0.4948 0.4948 2.9727 2.9727 3.0241 3.0241 3.0348 3.0348 3.1086 3.1086 4.5935 4.5935 4.8708 4.8708 7.7131 7.7131 8.2118 8.2118 12.3708 12.3708 12.7956 12.7956 k = 0.0000 0.4643 0.3089 ( 3534 PWs) bands (ev): -15.7156 -15.7156 -15.6927 -15.6927 -5.2052 -5.2052 -5.2013 -5.2013 -5.1443 -5.1443 -5.1347 -5.1347 -3.1207 -3.1207 -3.1085 -3.1085 -2.9942 -2.9942 -2.9909 -2.9909 -2.9326 -2.9326 -2.9236 -2.9236 0.3657 0.3657 0.4748 0.4748 2.9835 2.9835 3.0218 3.0218 3.0467 3.0467 3.1023 3.1023 4.6359 4.6359 4.8507 4.8507 7.7400 7.7400 8.1211 8.1211 12.4304 12.4304 12.7527 12.7527 k = 0.0000 0.4762 0.3089 ( 3534 PWs) bands (ev): -15.7116 -15.7116 -15.6963 -15.6963 -5.2047 -5.2047 -5.2020 -5.2020 -5.1426 -5.1426 -5.1362 -5.1362 -3.1192 -3.1192 -3.1110 -3.1110 -2.9935 -2.9935 -2.9912 -2.9912 -2.9310 -2.9310 -2.9250 -2.9250 0.3828 0.3828 0.4554 0.4554 2.9930 2.9930 3.0183 3.0183 3.0579 3.0579 3.0951 3.0951 4.6779 4.6779 4.8244 4.8244 7.7790 7.7790 8.0365 8.0365 12.4892 12.4892 12.7060 12.7060 k = 0.0000 0.4881 0.3089 ( 3522 PWs) bands (ev): -15.7076 -15.7076 -15.7000 -15.7000 -5.2040 -5.2040 -5.2027 -5.2027 -5.1410 -5.1410 -5.1378 -5.1378 -3.1174 -3.1174 -3.1133 -3.1133 -2.9928 -2.9928 -2.9917 -2.9917 -2.9294 -2.9294 -2.9264 -2.9264 0.4004 0.4004 0.4366 0.4366 3.0012 3.0012 3.0138 3.0138 3.0684 3.0684 3.0871 3.0871 4.7187 4.7187 4.7929 4.7929 7.8292 7.8292 7.9590 7.9590 12.5468 12.5468 12.6557 12.6557 k = 0.0000 0.5000 0.3089 ( 3528 PWs) bands (ev): -15.7037 -15.7037 -15.7037 -15.7037 -5.2034 -5.2034 -5.2034 -5.2034 -5.1394 -5.1394 -5.1394 -5.1394 -3.1155 -3.1155 -3.1155 -3.1155 -2.9922 -2.9922 -2.9922 -2.9922 -2.9279 -2.9279 -2.9279 -2.9279 0.4182 0.4182 0.4182 0.4182 3.0081 3.0081 3.0081 3.0081 3.0781 3.0781 3.0781 3.0781 4.7573 4.7573 4.7574 4.7574 7.8896 7.8896 7.8896 7.8896 12.6025 12.6025 12.6025 12.6025 k = 0.0000 0.5000 0.3089 ( 3528 PWs) bands (ev): -15.7037 -15.7037 -15.7037 -15.7037 -5.2034 -5.2034 -5.2034 -5.2034 -5.1394 -5.1394 -5.1394 -5.1394 -3.1155 -3.1155 -3.1155 -3.1155 -2.9922 -2.9922 -2.9922 -2.9922 -2.9279 -2.9279 -2.9279 -2.9279 0.4182 0.4182 0.4182 0.4182 3.0081 3.0081 3.0081 3.0081 3.0781 3.0781 3.0781 3.0781 4.7573 4.7573 4.7574 4.7574 7.8896 7.8896 7.8896 7.8896 12.6025 12.6025 12.6025 12.6025 k = 0.0119 0.5000 0.3089 ( 3528 PWs) bands (ev): -15.7037 -15.7037 -15.7037 -15.7037 -5.2036 -5.2036 -5.2030 -5.2030 -5.1396 -5.1396 -5.1390 -5.1390 -3.1178 -3.1178 -3.1128 -3.1128 -2.9928 -2.9928 -2.9915 -2.9915 -2.9304 -2.9304 -2.9254 -2.9254 0.4186 0.4186 0.4200 0.4200 3.0023 3.0023 3.0029 3.0029 3.0807 3.0807 3.0833 3.0833 4.7567 4.7567 4.7583 4.7583 7.8874 7.8874 7.8946 7.8946 12.5981 12.5981 12.6024 12.6024 k = 0.0238 0.5000 0.3089 ( 3524 PWs) bands (ev): -15.7037 -15.7037 -15.7037 -15.7037 -5.2037 -5.2037 -5.2025 -5.2025 -5.1398 -5.1398 -5.1386 -5.1386 -3.1198 -3.1198 -3.1098 -3.1098 -2.9933 -2.9933 -2.9906 -2.9906 -2.9329 -2.9329 -2.9229 -2.9229 0.4209 0.4209 0.4238 0.4238 2.9883 2.9883 2.9891 2.9891 3.0888 3.0888 3.0935 3.0935 4.7564 4.7564 4.7596 4.7596 7.8882 7.8882 7.9026 7.9026 12.5895 12.5895 12.5976 12.5976 k = 0.0357 0.5000 0.3089 ( 3524 PWs) bands (ev): -15.7036 -15.7036 -15.7036 -15.7036 -5.2036 -5.2036 -5.2019 -5.2019 -5.1398 -5.1398 -5.1381 -5.1381 -3.1216 -3.1216 -3.1066 -3.1066 -2.9936 -2.9936 -2.9896 -2.9896 -2.9355 -2.9355 -2.9205 -2.9205 0.4253 0.4253 0.4297 0.4297 2.9697 2.9697 2.9701 2.9701 3.0989 3.0989 3.1052 3.1052 4.7563 4.7563 4.7611 4.7611 7.8918 7.8918 7.9135 7.9135 12.5768 12.5768 12.5877 12.5877 k = 0.0476 0.5000 0.3089 ( 3528 PWs) bands (ev): -15.7035 -15.7035 -15.7035 -15.7035 -5.2035 -5.2035 -5.2012 -5.2012 -5.1397 -5.1397 -5.1375 -5.1375 -3.1231 -3.1231 -3.1030 -3.1030 -2.9937 -2.9937 -2.9885 -2.9885 -2.9382 -2.9382 -2.9181 -2.9181 0.4318 0.4318 0.4376 0.4376 2.9480 2.9480 2.9480 2.9480 3.1089 3.1089 3.1168 3.1168 4.7565 4.7565 4.7629 4.7629 7.8982 7.8982 7.9273 7.9273 12.5599 12.5599 12.5720 12.5720 k = 0.0595 0.5000 0.3089 ( 3528 PWs) bands (ev): -15.7034 -15.7034 -15.7033 -15.7033 -5.2032 -5.2032 -5.2003 -5.2003 -5.1396 -5.1396 -5.1369 -5.1369 -3.1243 -3.1243 -3.0991 -3.0991 -2.9936 -2.9936 -2.9873 -2.9873 -2.9408 -2.9408 -2.9158 -2.9158 0.4403 0.4403 0.4477 0.4477 2.9237 2.9237 2.9241 2.9241 3.1182 3.1182 3.1276 3.1276 4.7568 4.7568 4.7648 4.7648 7.9073 7.9073 7.9439 7.9439 12.5388 12.5388 12.5499 12.5499 k = 0.0714 0.5000 0.3089 ( 3524 PWs) bands (ev): -15.7033 -15.7033 -15.7031 -15.7031 -5.2028 -5.2028 -5.1993 -5.1993 -5.1392 -5.1392 -5.1362 -5.1362 -3.1253 -3.1253 -3.0949 -3.0949 -2.9933 -2.9933 -2.9859 -2.9859 -2.9435 -2.9435 -2.9134 -2.9134 0.4509 0.4509 0.4597 0.4597 2.8976 2.8976 2.8985 2.8985 3.1263 3.1263 3.1374 3.1374 4.7571 4.7571 4.7668 4.7668 7.9191 7.9191 7.9634 7.9634 12.5134 12.5134 12.5206 12.5206 k = 0.0833 0.5000 0.3089 ( 3512 PWs) bands (ev): -15.7031 -15.7031 -15.7029 -15.7029 -5.2024 -5.2024 -5.1981 -5.1981 -5.1388 -5.1388 -5.1354 -5.1354 -3.1261 -3.1261 -3.0903 -3.0903 -2.9928 -2.9928 -2.9845 -2.9845 -2.9462 -2.9462 -2.9111 -2.9111 0.4635 0.4635 0.4739 0.4739 2.8699 2.8699 2.8713 2.8713 3.1330 3.1330 3.1459 3.1459 4.7574 4.7574 4.7688 4.7688 7.9334 7.9334 7.9856 7.9856 12.4833 12.4833 12.4835 12.4835 k = 0.0952 0.5000 0.3089 ( 3520 PWs) bands (ev): -15.7029 -15.7029 -15.7027 -15.7027 -5.2019 -5.2019 -5.1969 -5.1969 -5.1382 -5.1382 -5.1346 -5.1346 -3.1267 -3.1267 -3.0855 -3.0855 -2.9922 -2.9922 -2.9831 -2.9831 -2.9489 -2.9489 -2.9088 -2.9088 0.4781 0.4781 0.4901 0.4901 2.8410 2.8410 2.8427 2.8427 3.1384 3.1384 3.1531 3.1531 4.7576 4.7576 4.7705 4.7705 7.9503 7.9503 8.0105 8.0105 12.4372 12.4372 12.4489 12.4489 k = 0.1071 0.5000 0.3089 ( 3532 PWs) bands (ev): -15.7026 -15.7026 -15.7025 -15.7025 -5.2013 -5.2013 -5.1957 -5.1957 -5.1376 -5.1376 -5.1337 -5.1337 -3.1271 -3.1271 -3.0805 -3.0805 -2.9913 -2.9913 -2.9816 -2.9816 -2.9516 -2.9516 -2.9066 -2.9066 0.4948 0.4948 0.5083 0.5083 2.8109 2.8109 2.8130 2.8130 3.1424 3.1424 3.1590 3.1590 4.7574 4.7574 4.7720 4.7720 7.9695 7.9695 8.0381 8.0381 12.3818 12.3818 12.4095 12.4095 k = 0.1190 0.5000 0.3089 ( 3528 PWs) bands (ev): -15.7024 -15.7024 -15.7022 -15.7022 -5.2007 -5.2007 -5.1943 -5.1943 -5.1367 -5.1367 -5.1327 -5.1327 -3.1273 -3.1273 -3.0752 -3.0752 -2.9903 -2.9903 -2.9800 -2.9800 -2.9542 -2.9542 -2.9043 -2.9043 0.5135 0.5135 0.5286 0.5286 2.7798 2.7798 2.7823 2.7823 3.1450 3.1450 3.1636 3.1636 4.7569 4.7569 4.7731 4.7731 7.9910 7.9910 8.0682 8.0682 12.3168 12.3168 12.3650 12.3650 k = 0.1310 0.5000 0.3089 ( 3528 PWs) bands (ev): -15.7021 -15.7021 -15.7019 -15.7019 -5.2000 -5.2000 -5.1928 -5.1928 -5.1358 -5.1358 -5.1317 -5.1317 -3.1274 -3.1274 -3.0697 -3.0697 -2.9890 -2.9890 -2.9785 -2.9785 -2.9568 -2.9568 -2.9020 -2.9020 0.5342 0.5342 0.5510 0.5510 2.7479 2.7479 2.7507 2.7507 3.1461 3.1461 3.1667 3.1667 4.7559 4.7559 4.7737 4.7737 8.0145 8.0145 8.1007 8.1007 12.2424 12.2424 12.3156 12.3156 k = 0.1429 0.5000 0.3089 ( 3532 PWs) bands (ev): -15.7018 -15.7018 -15.7016 -15.7016 -5.1993 -5.1993 -5.1914 -5.1914 -5.1347 -5.1347 -5.1306 -5.1306 -3.1274 -3.1274 -3.0640 -3.0640 -2.9875 -2.9875 -2.9772 -2.9772 -2.9591 -2.9591 -2.8997 -2.8997 0.5569 0.5569 0.5754 0.5754 2.7153 2.7153 2.7184 2.7184 3.1457 3.1457 3.1685 3.1685 4.7543 4.7543 4.7737 4.7737 8.0401 8.0401 8.1355 8.1355 12.1595 12.1595 12.2613 12.2613 k = 0.1548 0.5000 0.3089 ( 3540 PWs) bands (ev): -15.7014 -15.7014 -15.7012 -15.7012 -5.1986 -5.1986 -5.1899 -5.1899 -5.1335 -5.1335 -5.1294 -5.1294 -3.1272 -3.1272 -3.0582 -3.0582 -2.9859 -2.9859 -2.9761 -2.9761 -2.9610 -2.9610 -2.8974 -2.8974 0.5816 0.5816 0.6019 0.6019 2.6820 2.6820 2.6856 2.6856 3.1439 3.1439 3.1689 3.1689 4.7519 4.7519 4.7729 4.7729 8.0674 8.0674 8.1724 8.1724 12.0690 12.0690 12.2024 12.2024 k = 0.1667 0.5000 0.3089 ( 3536 PWs) bands (ev): -15.7011 -15.7011 -15.7009 -15.7009 -5.1978 -5.1978 -5.1884 -5.1884 -5.1321 -5.1321 -5.1282 -5.1282 -3.1269 -3.1269 -3.0524 -3.0524 -2.9841 -2.9841 -2.9757 -2.9757 -2.9621 -2.9621 -2.8950 -2.8950 0.6083 0.6083 0.6303 0.6303 2.6484 2.6484 2.6524 2.6524 3.1407 3.1407 3.1678 3.1678 4.7489 4.7489 4.7713 4.7713 8.0964 8.0964 8.2113 8.2113 11.9725 11.9725 12.1394 12.1394 k = 0.1786 0.5000 0.3089 ( 3536 PWs) bands (ev): -15.7007 -15.7007 -15.7005 -15.7005 -5.1971 -5.1971 -5.1869 -5.1869 -5.1306 -5.1306 -5.1269 -5.1269 -3.1266 -3.1266 -3.0465 -3.0465 -2.9822 -2.9822 -2.9761 -2.9761 -2.9622 -2.9622 -2.8926 -2.8926 0.6370 0.6370 0.6608 0.6608 2.6144 2.6144 2.6189 2.6189 3.1359 3.1359 3.1653 3.1653 4.7449 4.7449 4.7688 4.7688 8.1268 8.1268 8.2521 8.2521 11.8716 11.8716 12.0728 12.0728 k = 0.1905 0.5000 0.3089 ( 3532 PWs) bands (ev): -15.7004 -15.7004 -15.7001 -15.7001 -5.1963 -5.1963 -5.1854 -5.1854 -5.1291 -5.1291 -5.1255 -5.1255 -3.1261 -3.1261 -3.0406 -3.0406 -2.9801 -2.9801 -2.9774 -2.9774 -2.9611 -2.9611 -2.8902 -2.8902 0.6676 0.6676 0.6933 0.6933 2.5803 2.5803 2.5853 2.5853 3.1297 3.1297 3.1613 3.1613 4.7401 4.7401 4.7654 4.7654 8.1585 8.1585 8.2944 8.2944 11.7679 11.7679 12.0036 12.0036 k = 0.2024 0.5000 0.3089 ( 3532 PWs) bands (ev): -15.7000 -15.7000 -15.6997 -15.6997 -5.1955 -5.1955 -5.1840 -5.1840 -5.1274 -5.1274 -5.1241 -5.1241 -3.1256 -3.1256 -3.0350 -3.0350 -2.9792 -2.9792 -2.9780 -2.9780 -2.9592 -2.9592 -2.8877 -2.8877 0.7001 0.7001 0.7277 0.7277 2.5462 2.5462 2.5518 2.5518 3.1220 3.1220 3.1558 3.1558 4.7343 4.7343 4.7609 4.7609 8.1912 8.1912 8.3380 8.3380 11.6628 11.6628 11.9327 11.9327 k = 0.2143 0.5000 0.3089 ( 3544 PWs) bands (ev): -15.6996 -15.6996 -15.6993 -15.6993 -5.1948 -5.1948 -5.1826 -5.1826 -5.1257 -5.1257 -5.1226 -5.1226 -3.1250 -3.1250 -3.0297 -3.0297 -2.9813 -2.9813 -2.9758 -2.9758 -2.9568 -2.9568 -2.8852 -2.8852 0.7345 0.7345 0.7640 0.7640 2.5122 2.5122 2.5184 2.5184 3.1127 3.1127 3.1487 3.1487 4.7277 4.7277 4.7554 4.7554 8.2247 8.2247 8.3829 8.3829 11.5579 11.5579 11.8611 11.8611 k = 0.2262 0.5000 0.3089 ( 3536 PWs) bands (ev): -15.6992 -15.6992 -15.6989 -15.6989 -5.1940 -5.1940 -5.1813 -5.1813 -5.1238 -5.1238 -5.1210 -5.1210 -3.1243 -3.1243 -3.0249 -3.0249 -2.9832 -2.9832 -2.9736 -2.9736 -2.9538 -2.9538 -2.8826 -2.8826 0.7707 0.7707 0.8022 0.8022 2.4784 2.4784 2.4853 2.4853 3.1018 3.1018 3.1399 3.1399 4.7201 4.7201 4.7488 4.7488 8.2589 8.2589 8.4285 8.4285 11.4542 11.4542 11.7897 11.7897 k = 0.2381 0.5000 0.3089 ( 3532 PWs) bands (ev): -15.6988 -15.6988 -15.6985 -15.6985 -5.1932 -5.1932 -5.1801 -5.1801 -5.1220 -5.1220 -5.1194 -5.1194 -3.1235 -3.1235 -3.0209 -3.0209 -2.9847 -2.9847 -2.9714 -2.9714 -2.9505 -2.9505 -2.8800 -2.8800 0.8087 0.8087 0.8422 0.8422 2.4449 2.4449 2.4526 2.4526 3.0893 3.0893 3.1295 3.1295 4.7116 4.7116 4.7413 4.7413 8.2935 8.2935 8.4747 8.4747 11.3530 11.3530 11.7196 11.7196 k = 0.2500 0.5000 0.3089 ( 3536 PWs) bands (ev): -15.6983 -15.6983 -15.6981 -15.6981 -5.1925 -5.1925 -5.1790 -5.1790 -5.1200 -5.1200 -5.1178 -5.1178 -3.1226 -3.1226 -3.0179 -3.0179 -2.9856 -2.9856 -2.9692 -2.9692 -2.9467 -2.9467 -2.8774 -2.8774 0.8484 0.8484 0.8840 0.8840 2.4119 2.4119 2.4205 2.4205 3.0751 3.0751 3.1173 3.1173 4.7023 4.7023 4.7327 4.7327 8.3282 8.3282 8.5210 8.5210 11.2553 11.2553 11.6518 11.6518 k = 0.2619 0.5000 0.3089 ( 3540 PWs) bands (ev): -15.6979 -15.6979 -15.6977 -15.6977 -5.1917 -5.1917 -5.1780 -5.1780 -5.1181 -5.1181 -5.1161 -5.1161 -3.1217 -3.1217 -3.0163 -3.0163 -2.9856 -2.9856 -2.9671 -2.9671 -2.9425 -2.9425 -2.8747 -2.8747 0.8899 0.8899 0.9275 0.9275 2.3794 2.3794 2.3890 2.3890 3.0593 3.0593 3.1032 3.1032 4.6922 4.6922 4.7233 4.7233 8.3628 8.3628 8.5671 8.5671 11.1619 11.1619 11.5870 11.5870 k = 0.2738 0.5000 0.3089 ( 3556 PWs) bands (ev): -15.6975 -15.6975 -15.6973 -15.6973 -5.1910 -5.1910 -5.1772 -5.1772 -5.1162 -5.1162 -5.1145 -5.1145 -3.1207 -3.1207 -3.0160 -3.0160 -2.9848 -2.9848 -2.9650 -2.9650 -2.9380 -2.9380 -2.8720 -2.8720 0.9329 0.9329 0.9726 0.9726 2.3475 2.3475 2.3582 2.3582 3.0417 3.0417 3.0874 3.0874 4.6814 4.6814 4.7130 4.7130 8.3972 8.3972 8.6126 8.6126 11.0738 11.0738 11.5259 11.5259 k = 0.2857 0.5000 0.3089 ( 3548 PWs) bands (ev): -15.6971 -15.6971 -15.6968 -15.6968 -5.1902 -5.1902 -5.1764 -5.1764 -5.1143 -5.1143 -5.1127 -5.1127 -3.1195 -3.1195 -3.0170 -3.0170 -2.9831 -2.9831 -2.9631 -2.9631 -2.9330 -2.9330 -2.8692 -2.8692 0.9774 0.9774 1.0193 1.0193 2.3164 2.3164 2.3283 2.3283 3.0224 3.0224 3.0696 3.0696 4.6701 4.6701 4.7019 4.7019 8.4310 8.4310 8.6569 8.6569 10.9918 10.9918 11.4693 11.4693 k = 0.2976 0.5000 0.3089 ( 3544 PWs) bands (ev): -15.6967 -15.6967 -15.6964 -15.6964 -5.1894 -5.1894 -5.1757 -5.1757 -5.1124 -5.1124 -5.1110 -5.1110 -3.1182 -3.1182 -3.0188 -3.0188 -2.9810 -2.9810 -2.9613 -2.9613 -2.9277 -2.9277 -2.8665 -2.8665 1.0234 1.0234 1.0675 1.0675 2.2861 2.2861 2.2994 2.2994 3.0014 3.0014 3.0498 3.0498 4.6584 4.6584 4.6902 4.6902 8.4641 8.4641 8.6996 8.6996 10.9166 10.9166 11.4176 11.4176 k = 0.3095 0.5000 0.3089 ( 3536 PWs) bands (ev): -15.6963 -15.6963 -15.6961 -15.6961 -5.1886 -5.1886 -5.1751 -5.1751 -5.1105 -5.1105 -5.1093 -5.1093 -3.1168 -3.1168 -3.0212 -3.0212 -2.9787 -2.9787 -2.9596 -2.9596 -2.9222 -2.9222 -2.8637 -2.8637 1.0707 1.0707 1.1170 1.1170 2.2566 2.2566 2.2714 2.2714 2.9787 2.9787 3.0281 3.0281 4.6464 4.6464 4.6780 4.6780 8.4964 8.4964 8.7400 8.7400 10.8490 10.8490 11.3712 11.3712 k = 0.3214 0.5000 0.3089 ( 3544 PWs) bands (ev): -15.6959 -15.6959 -15.6957 -15.6957 -5.1879 -5.1879 -5.1746 -5.1746 -5.1087 -5.1087 -5.1076 -5.1076 -3.1154 -3.1154 -3.0241 -3.0241 -2.9764 -2.9764 -2.9581 -2.9581 -2.9165 -2.9165 -2.8611 -2.8611 1.1191 1.1191 1.1676 1.1676 2.2280 2.2280 2.2444 2.2444 2.9543 2.9543 3.0045 3.0045 4.6342 4.6342 4.6654 4.6654 8.5275 8.5275 8.7776 8.7776 10.7897 10.7897 11.3303 11.3303 k = 0.3333 0.5000 0.3089 ( 3540 PWs) bands (ev): -15.6956 -15.6956 -15.6953 -15.6953 -5.1871 -5.1871 -5.1742 -5.1742 -5.1069 -5.1069 -5.1059 -5.1059 -3.1137 -3.1137 -3.0272 -3.0272 -2.9742 -2.9742 -2.9567 -2.9567 -2.9107 -2.9107 -2.8586 -2.8586 1.1686 1.1686 1.2193 1.2193 2.2003 2.2003 2.2185 2.2185 2.9284 2.9284 2.9790 2.9790 4.6221 4.6221 4.6527 4.6527 8.5575 8.5575 8.8118 8.8118 10.7393 10.7393 11.2951 11.2951 k = 0.3452 0.5000 0.3089 ( 3544 PWs) bands (ev): -15.6952 -15.6952 -15.6950 -15.6950 -5.1864 -5.1864 -5.1740 -5.1740 -5.1052 -5.1052 -5.1044 -5.1044 -3.1120 -3.1120 -3.0306 -3.0306 -2.9720 -2.9720 -2.9555 -2.9555 -2.9049 -2.9049 -2.8561 -2.8561 1.2190 1.2190 1.2719 1.2719 2.1736 2.1736 2.1938 2.1938 2.9010 2.9010 2.9516 2.9516 4.6101 4.6101 4.6398 4.6398 8.5862 8.5862 8.8421 8.8421 10.6984 10.6984 11.2655 11.2655 k = 0.3571 0.5000 0.3089 ( 3548 PWs) bands (ev): -15.6949 -15.6949 -15.6947 -15.6947 -5.1856 -5.1856 -5.1738 -5.1738 -5.1036 -5.1036 -5.1029 -5.1029 -3.1102 -3.1102 -3.0341 -3.0341 -2.9700 -2.9700 -2.9545 -2.9545 -2.8991 -2.8991 -2.8539 -2.8539 1.2701 1.2701 1.3252 1.3252 2.1478 2.1478 2.1701 2.1701 2.8724 2.8724 2.9226 2.9226 4.5985 4.5985 4.6270 4.6270 8.6135 8.6135 8.8679 8.8679 10.6673 10.6673 11.2412 11.2412 k = 0.3690 0.5000 0.3089 ( 3552 PWs) bands (ev): -15.6946 -15.6946 -15.6943 -15.6943 -5.1848 -5.1848 -5.1737 -5.1737 -5.1021 -5.1021 -5.1015 -5.1015 -3.1081 -3.1081 -3.0376 -3.0376 -2.9681 -2.9681 -2.9537 -2.9537 -2.8934 -2.8934 -2.8518 -2.8518 1.3217 1.3217 1.3789 1.3789 2.1228 2.1228 2.1476 2.1476 2.8427 2.8427 2.8921 2.8921 4.5873 4.5873 4.6145 4.6145 8.6395 8.6395 8.8889 8.8889 10.6464 10.6464 11.2218 11.2218 k = 0.3810 0.5000 0.3089 ( 3556 PWs) bands (ev): -15.6943 -15.6943 -15.6941 -15.6941 -5.1841 -5.1841 -5.1737 -5.1737 -5.1007 -5.1007 -5.1001 -5.1001 -3.1060 -3.1060 -3.0413 -3.0413 -2.9664 -2.9664 -2.9530 -2.9530 -2.8878 -2.8878 -2.8499 -2.8499 1.3735 1.3735 1.4328 1.4328 2.0986 2.0986 2.1260 2.1260 2.8123 2.8123 2.8603 2.8603 4.5768 4.5768 4.6024 4.6024 8.6642 8.6642 8.9050 8.9050 10.6356 10.6356 11.2064 11.2064 k = 0.3929 0.5000 0.3089 ( 3556 PWs) bands (ev): -15.6940 -15.6940 -15.6938 -15.6938 -5.1833 -5.1833 -5.1738 -5.1738 -5.0994 -5.0994 -5.0989 -5.0989 -3.1037 -3.1037 -3.0449 -3.0449 -2.9647 -2.9647 -2.9525 -2.9525 -2.8825 -2.8825 -2.8483 -2.8483 1.4253 1.4253 1.4865 1.4865 2.0751 2.0751 2.1054 2.1054 2.7816 2.7816 2.8277 2.8277 4.5670 4.5670 4.5908 4.5908 8.6876 8.6876 8.9161 8.9161 10.6348 10.6348 11.1941 11.1941 k = 0.4048 0.5000 0.3089 ( 3556 PWs) bands (ev): -15.6937 -15.6937 -15.6936 -15.6936 -5.1826 -5.1826 -5.1739 -5.1739 -5.0982 -5.0982 -5.0978 -5.0978 -3.1013 -3.1013 -3.0486 -3.0486 -2.9632 -2.9632 -2.9522 -2.9522 -2.8774 -2.8774 -2.8469 -2.8469 1.4768 1.4768 1.5397 1.5397 2.0521 2.0521 2.0855 2.0855 2.7511 2.7511 2.7947 2.7947 4.5581 4.5581 4.5799 4.5799 8.7098 8.7098 8.9224 8.9224 10.6435 10.6435 11.1832 11.1832 k = 0.4167 0.5000 0.3089 ( 3556 PWs) bands (ev): -15.6935 -15.6935 -15.6934 -15.6934 -5.1818 -5.1818 -5.1741 -5.1741 -5.0972 -5.0972 -5.0968 -5.0968 -3.0987 -3.0987 -3.0523 -3.0523 -2.9617 -2.9617 -2.9520 -2.9520 -2.8726 -2.8726 -2.8459 -2.8459 1.5277 1.5277 1.5921 1.5921 2.0293 2.0293 2.0661 2.0661 2.7214 2.7214 2.7618 2.7618 4.5503 4.5503 4.5697 4.5697 8.7309 8.7309 8.9243 8.9243 10.6611 10.6611 11.1719 11.1719 k = 0.4286 0.5000 0.3089 ( 3556 PWs) bands (ev): -15.6933 -15.6933 -15.6932 -15.6932 -5.1811 -5.1811 -5.1744 -5.1744 -5.0962 -5.0962 -5.0959 -5.0959 -3.0961 -3.0961 -3.0560 -3.0560 -2.9604 -2.9604 -2.9519 -2.9519 -2.8681 -2.8681 -2.8452 -2.8452 1.5775 1.5775 1.6431 1.6431 2.0066 2.0066 2.0469 2.0469 2.6932 2.6932 2.7298 2.7298 4.5435 4.5435 4.5605 4.5605 8.7510 8.7510 8.9222 8.9222 10.6867 10.6867 11.1578 11.1578 k = 0.4405 0.5000 0.3089 ( 3560 PWs) bands (ev): -15.6931 -15.6931 -15.6930 -15.6930 -5.1804 -5.1804 -5.1747 -5.1747 -5.0954 -5.0954 -5.0951 -5.0951 -3.0933 -3.0933 -3.0597 -3.0597 -2.9591 -2.9591 -2.9520 -2.9520 -2.8639 -2.8639 -2.8448 -2.8448 1.6258 1.6258 1.6921 1.6921 1.9835 1.9835 2.0275 2.0275 2.6674 2.6674 2.6995 2.6995 4.5378 4.5378 4.5523 4.5523 8.7703 8.7703 8.9167 8.9167 10.7194 10.7194 11.1386 11.1386 k = 0.4524 0.5000 0.3089 ( 3568 PWs) bands (ev): -15.6930 -15.6930 -15.6929 -15.6929 -5.1797 -5.1797 -5.1752 -5.1752 -5.0948 -5.0948 -5.0945 -5.0945 -3.0903 -3.0903 -3.0634 -3.0634 -2.9580 -2.9580 -2.9522 -2.9522 -2.8602 -2.8602 -2.8449 -2.8449 1.6722 1.6722 1.7385 1.7385 1.9599 1.9599 2.0073 2.0073 2.6451 2.6451 2.6718 2.6718 4.5334 4.5334 4.5452 4.5452 8.7888 8.7888 8.9084 8.9084 10.7579 10.7579 11.1126 11.1126 k = 0.4643 0.5000 0.3089 ( 3564 PWs) bands (ev): -15.6929 -15.6929 -15.6928 -15.6928 -5.1790 -5.1790 -5.1756 -5.1756 -5.0942 -5.0942 -5.0940 -5.0940 -3.0873 -3.0873 -3.0670 -3.0670 -2.9569 -2.9569 -2.9526 -2.9526 -2.8568 -2.8568 -2.8453 -2.8453 1.7162 1.7162 1.7812 1.7812 1.9357 1.9357 1.9859 1.9859 2.6271 2.6271 2.6478 2.6478 4.5303 4.5303 4.5392 4.5392 8.8067 8.8067 8.8977 8.8977 10.8012 10.8012 11.0793 11.0793 k = 0.4762 0.5000 0.3089 ( 3564 PWs) bands (ev): -15.6928 -15.6928 -15.6927 -15.6927 -5.1783 -5.1783 -5.1761 -5.1761 -5.0939 -5.0939 -5.0937 -5.0937 -3.0841 -3.0841 -3.0706 -3.0706 -2.9559 -2.9559 -2.9530 -2.9530 -2.8538 -2.8538 -2.8462 -2.8462 1.7573 1.7573 1.8179 1.8179 1.9123 1.9123 1.9628 1.9628 2.6144 2.6144 2.6286 2.6286 4.5285 4.5285 4.5345 4.5345 8.8239 8.8239 8.8853 8.8853 10.8479 10.8479 11.0393 11.0393 k = 0.4881 0.5000 0.3089 ( 3560 PWs) bands (ev): -15.6927 -15.6927 -15.6927 -15.6927 -5.1777 -5.1777 -5.1766 -5.1766 -5.0936 -5.0936 -5.0935 -5.0935 -3.0809 -3.0809 -3.0741 -3.0741 -2.9550 -2.9550 -2.9536 -2.9536 -2.8512 -2.8512 -2.8474 -2.8474 1.7945 1.7945 1.8385 1.8385 1.8989 1.8989 1.9378 1.9378 2.6080 2.6080 2.6152 2.6152 4.5280 4.5280 4.5310 4.5310 8.8405 8.8405 8.8714 8.8714 10.8967 10.8967 10.9942 10.9942 k = 0.5000 0.5000 0.3089 ( 3560 PWs) bands (ev): -15.6927 -15.6927 -15.6927 -15.6927 -5.1771 -5.1771 -5.1771 -5.1771 -5.0935 -5.0935 -5.0935 -5.0935 -3.0775 -3.0775 -3.0775 -3.0775 -2.9543 -2.9543 -2.9543 -2.9543 -2.8491 -2.8491 -2.8491 -2.8491 1.8254 1.8254 1.8254 1.8254 1.9128 1.9128 1.9128 1.9128 2.6082 2.6082 2.6082 2.6082 4.5289 4.5289 4.5289 4.5289 8.8564 8.8564 8.8564 8.8564 10.9461 10.9461 10.9461 10.9461 k = 0.5000 0.5000 0.3089 ( 3560 PWs) bands (ev): -15.6927 -15.6927 -15.6927 -15.6927 -5.1771 -5.1771 -5.1771 -5.1771 -5.0935 -5.0935 -5.0935 -5.0935 -3.0775 -3.0775 -3.0775 -3.0775 -2.9543 -2.9543 -2.9543 -2.9543 -2.8491 -2.8491 -2.8491 -2.8491 1.8254 1.8254 1.8254 1.8254 1.9128 1.9128 1.9128 1.9128 2.6082 2.6082 2.6082 2.6082 4.5289 4.5289 4.5289 4.5289 8.8564 8.8564 8.8564 8.8564 10.9461 10.9461 10.9461 10.9461 k = 0.4915 0.4915 0.3089 ( 3564 PWs) bands (ev): -15.6928 -15.6928 -15.6926 -15.6926 -5.1777 -5.1777 -5.1766 -5.1766 -5.0936 -5.0936 -5.0935 -5.0935 -3.0809 -3.0809 -3.0741 -3.0741 -2.9551 -2.9551 -2.9536 -2.9536 -2.8513 -2.8513 -2.8474 -2.8474 1.7929 1.7929 1.8437 1.8437 1.8915 1.8915 1.9417 1.9417 2.6069 2.6069 2.6163 2.6163 4.5280 4.5280 4.5311 4.5311 8.8403 8.8403 8.8716 8.8716 10.8962 10.8962 10.9947 10.9947 k = 0.4831 0.4831 0.3089 ( 3560 PWs) bands (ev): -15.6930 -15.6930 -15.6924 -15.6924 -5.1783 -5.1783 -5.1760 -5.1760 -5.0938 -5.0938 -5.0937 -5.0937 -3.0841 -3.0841 -3.0705 -3.0705 -2.9559 -2.9559 -2.9530 -2.9530 -2.8538 -2.8538 -2.8462 -2.8462 1.7521 1.7521 1.8504 1.8504 1.8669 1.8669 1.9812 1.9812 2.6079 2.6079 2.6349 2.6349 4.5282 4.5282 4.5349 4.5349 8.8231 8.8231 8.8863 8.8863 10.8457 10.8457 11.0412 11.0412 k = 0.4746 0.4746 0.3089 ( 3566 PWs) bands (ev): -15.6935 -15.6935 -15.6922 -15.6922 -5.1790 -5.1790 -5.1756 -5.1756 -5.0942 -5.0942 -5.0941 -5.0941 -3.0873 -3.0873 -3.0670 -3.0670 -2.9569 -2.9569 -2.9525 -2.9525 -2.8568 -2.8568 -2.8453 -2.8453 1.7080 1.7080 1.8271 1.8271 1.8597 1.8597 2.0261 2.0261 2.6099 2.6099 2.6630 2.6630 4.5294 4.5294 4.5403 4.5403 8.8047 8.8047 8.9009 8.9009 10.7950 10.7950 11.0845 11.0845 k = 0.4661 0.4661 0.3089 ( 3566 PWs) bands (ev): -15.6941 -15.6941 -15.6918 -15.6918 -5.1797 -5.1797 -5.1751 -5.1751 -5.0948 -5.0948 -5.0946 -5.0946 -3.0903 -3.0903 -3.0634 -3.0634 -2.9581 -2.9581 -2.9522 -2.9522 -2.8602 -2.8602 -2.8449 -2.8449 1.6631 1.6631 1.7832 1.7832 1.8642 1.8642 2.0734 2.0734 2.6128 2.6128 2.6980 2.6980 4.5313 4.5313 4.5473 4.5473 8.7852 8.7852 8.9159 8.9159 10.7441 10.7441 11.1232 11.1232 k = 0.4576 0.4576 0.3089 ( 3558 PWs) bands (ev): -15.6949 -15.6949 -15.6913 -15.6913 -5.1805 -5.1805 -5.1746 -5.1746 -5.0955 -5.0955 -5.0951 -5.0951 -3.0931 -3.0931 -3.0598 -3.0598 -2.9592 -2.9592 -2.9519 -2.9519 -2.8640 -2.8640 -2.8449 -2.8449 1.6181 1.6181 1.7322 1.7322 1.8696 1.8696 2.1216 2.1216 2.6165 2.6165 2.7373 2.7373 4.5340 4.5340 4.5558 4.5558 8.7648 8.7648 8.9317 8.9317 10.6933 10.6933 11.1565 11.1565 k = 0.4492 0.4492 0.3089 ( 3558 PWs) bands (ev): -15.6958 -15.6958 -15.6907 -15.6907 -5.1812 -5.1812 -5.1742 -5.1742 -5.0964 -5.0964 -5.0958 -5.0958 -3.0958 -3.0958 -3.0562 -3.0562 -2.9606 -2.9606 -2.9518 -2.9518 -2.8682 -2.8682 -2.8453 -2.8453 1.5733 1.5733 1.6766 1.6766 1.8760 1.8760 2.1700 2.1700 2.6210 2.6210 2.7789 2.7789 4.5373 4.5373 4.5656 4.5656 8.7441 8.7441 8.9485 8.9485 10.6425 10.6425 11.1841 11.1841 k = 0.4407 0.4407 0.3089 ( 3554 PWs) bands (ev): -15.6970 -15.6970 -15.6900 -15.6900 -5.1820 -5.1820 -5.1739 -5.1739 -5.0975 -5.0975 -5.0966 -5.0966 -3.0982 -3.0982 -3.0527 -3.0527 -2.9620 -2.9620 -2.9517 -2.9517 -2.8727 -2.8727 -2.8461 -2.8461 1.5286 1.5286 1.6183 1.6183 1.8834 1.8834 2.2184 2.2184 2.6262 2.6262 2.8213 2.8213 4.5413 4.5413 4.5763 4.5763 8.7237 8.7237 8.9665 8.9665 10.5919 10.5919 11.2067 11.2067 k = 0.4322 0.4322 0.3089 ( 3550 PWs) bands (ev): -15.6983 -15.6983 -15.6891 -15.6891 -5.1827 -5.1827 -5.1735 -5.1735 -5.0988 -5.0988 -5.0974 -5.0974 -3.1004 -3.1004 -3.0492 -3.0492 -2.9635 -2.9635 -2.9518 -2.9518 -2.8775 -2.8775 -2.8472 -2.8472 1.4837 1.4837 1.5592 1.5592 1.8918 1.8918 2.2662 2.2662 2.6322 2.6322 2.8632 2.8632 4.5458 4.5458 4.5877 4.5877 8.7044 8.7044 8.9861 8.9861 10.5415 10.5415 11.2255 11.2255 k = 0.4237 0.4237 0.3089 ( 3550 PWs) bands (ev): -15.6998 -15.6998 -15.6882 -15.6882 -5.1835 -5.1835 -5.1732 -5.1732 -5.1003 -5.1003 -5.0983 -5.0983 -3.1023 -3.1023 -3.0458 -3.0458 -2.9651 -2.9651 -2.9521 -2.9521 -2.8826 -2.8826 -2.8487 -2.8487 1.4372 1.4372 1.5015 1.5015 1.9011 1.9011 2.3134 2.3134 2.6389 2.6389 2.9039 2.9039 4.5509 4.5509 4.5992 4.5992 8.6871 8.6871 9.0071 9.0071 10.4916 10.4916 11.2422 11.2422 k = 0.4153 0.4153 0.3089 ( 3556 PWs) bands (ev): -15.7014 -15.7014 -15.6872 -15.6872 -5.1843 -5.1843 -5.1730 -5.1730 -5.1020 -5.1020 -5.0992 -5.0992 -3.1041 -3.1041 -3.0424 -3.0424 -2.9669 -2.9669 -2.9525 -2.9525 -2.8880 -2.8880 -2.8505 -2.8505 1.3872 1.3872 1.4480 1.4480 1.9113 1.9113 2.3597 2.3597 2.6463 2.6463 2.9428 2.9428 4.5565 4.5565 4.6104 4.6104 8.6725 8.6725 9.0297 9.0297 10.4426 10.4426 11.2582 11.2582 k = 0.4068 0.4068 0.3089 ( 3552 PWs) bands (ev): -15.7032 -15.7032 -15.6862 -15.6862 -5.1851 -5.1851 -5.1727 -5.1727 -5.1039 -5.1039 -5.1002 -5.1002 -3.1055 -3.1055 -3.0392 -3.0392 -2.9687 -2.9687 -2.9531 -2.9531 -2.8935 -2.8935 -2.8525 -2.8525 1.3322 1.3322 1.4008 1.4008 1.9224 1.9224 2.4048 2.4048 2.6543 2.6543 2.9793 2.9793 4.5626 4.5626 4.6208 4.6208 8.6615 8.6615 9.0539 9.0539 10.3946 10.3946 11.2745 11.2745 k = 0.3983 0.3983 0.3089 ( 3550 PWs) bands (ev): -15.7052 -15.7052 -15.6850 -15.6850 -5.1859 -5.1859 -5.1724 -5.1724 -5.1060 -5.1060 -5.1012 -5.1012 -3.1066 -3.1066 -3.0360 -3.0360 -2.9706 -2.9706 -2.9539 -2.9539 -2.8993 -2.8993 -2.8548 -2.8548 1.2733 1.2733 1.3593 1.3593 1.9344 1.9344 2.4485 2.4485 2.6630 2.6630 3.0133 3.0133 4.5690 4.5690 4.6298 4.6298 8.6549 8.6549 9.0796 9.0796 10.3483 10.3483 11.2919 11.2919 k = 0.3898 0.3898 0.3089 ( 3542 PWs) bands (ev): -15.7073 -15.7073 -15.6837 -15.6837 -5.1867 -5.1867 -5.1722 -5.1722 -5.1083 -5.1083 -5.1021 -5.1021 -3.1075 -3.1075 -3.0330 -3.0330 -2.9725 -2.9725 -2.9549 -2.9549 -2.9051 -2.9051 -2.8573 -2.8573 1.2126 1.2126 1.3219 1.3219 1.9471 1.9471 2.4908 2.4908 2.6722 2.6722 3.0446 3.0446 4.5756 4.5756 4.6370 4.6370 8.6533 8.6533 9.1066 9.1066 10.3041 10.3041 11.3109 11.3109 k = 0.3814 0.3814 0.3089 ( 3546 PWs) bands (ev): -15.7096 -15.7096 -15.6824 -15.6824 -5.1875 -5.1875 -5.1720 -5.1720 -5.1108 -5.1108 -5.1032 -5.1032 -3.1081 -3.1081 -3.0302 -3.0302 -2.9746 -2.9746 -2.9562 -2.9562 -2.9109 -2.9109 -2.8599 -2.8599 1.1516 1.1516 1.2873 1.2873 1.9607 1.9607 2.5313 2.5313 2.6820 2.6820 3.0730 3.0730 4.5824 4.5824 4.6418 4.6418 8.6572 8.6572 9.1349 9.1349 10.2626 10.2626 11.3319 11.3319 k = 0.3729 0.3729 0.3089 ( 3542 PWs) bands (ev): -15.7120 -15.7120 -15.6811 -15.6811 -5.1882 -5.1882 -5.1718 -5.1718 -5.1134 -5.1134 -5.1042 -5.1042 -3.1083 -3.1083 -3.0275 -3.0275 -2.9767 -2.9767 -2.9577 -2.9577 -2.9167 -2.9167 -2.8627 -2.8627 1.0909 1.0909 1.2553 1.2553 1.9749 1.9749 2.5699 2.5699 2.6924 2.6924 3.0985 3.0985 4.5891 4.5891 4.6439 4.6439 8.6672 8.6672 9.1641 9.1641 10.2245 10.2245 11.3550 11.3550 k = 0.3644 0.3644 0.3089 ( 3544 PWs) bands (ev): -15.7146 -15.7146 -15.6796 -15.6796 -5.1889 -5.1889 -5.1717 -5.1717 -5.1162 -5.1162 -5.1052 -5.1052 -3.1083 -3.1083 -3.0250 -3.0250 -2.9788 -2.9788 -2.9597 -2.9597 -2.9224 -2.9224 -2.8656 -2.8656 1.0311 1.0311 1.2254 1.2254 1.9899 1.9899 2.6063 2.6063 2.7034 2.7034 3.1212 3.1212 4.5957 4.5957 4.6429 4.6429 8.6835 8.6835 9.1940 9.1940 10.1906 10.1906 11.3803 11.3803 k = 0.3559 0.3559 0.3089 ( 3548 PWs) bands (ev): -15.7173 -15.7173 -15.6782 -15.6782 -5.1896 -5.1896 -5.1716 -5.1716 -5.1192 -5.1192 -5.1062 -5.1062 -3.1079 -3.1079 -3.0228 -3.0228 -2.9810 -2.9810 -2.9621 -2.9621 -2.9278 -2.9278 -2.8685 -2.8685 0.9724 0.9724 1.1976 1.1976 2.0054 2.0054 2.6403 2.6403 2.7151 2.7151 3.1410 3.1410 4.6018 4.6018 4.6385 4.6385 8.7063 8.7063 9.2243 9.2243 10.1616 10.1616 11.4078 11.4078 k = 0.3475 0.3475 0.3089 ( 3544 PWs) bands (ev): -15.7202 -15.7202 -15.6767 -15.6767 -5.1902 -5.1902 -5.1714 -5.1714 -5.1222 -5.1222 -5.1072 -5.1072 -3.1073 -3.1073 -3.0208 -3.0208 -2.9832 -2.9832 -2.9649 -2.9649 -2.9328 -2.9328 -2.8713 -2.8713 0.9152 0.9152 1.1718 1.1718 2.0214 2.0214 2.6714 2.6714 2.7280 2.7280 3.1581 3.1581 4.6073 4.6073 4.6308 4.6308 8.7354 8.7354 9.2544 9.2544 10.1385 10.1385 11.4374 11.4374 k = 0.3390 0.3390 0.3089 ( 3544 PWs) bands (ev): -15.7232 -15.7232 -15.6751 -15.6751 -5.1908 -5.1908 -5.1714 -5.1714 -5.1254 -5.1254 -5.1081 -5.1081 -3.1064 -3.1064 -3.0191 -3.0191 -2.9854 -2.9854 -2.9681 -2.9681 -2.9375 -2.9375 -2.8741 -2.8741 0.8594 0.8594 1.1481 1.1481 2.0379 2.0379 2.6988 2.6988 2.7425 2.7425 3.1725 3.1725 4.6115 4.6115 4.6198 4.6198 8.7706 8.7706 9.2841 9.2841 10.1222 10.1222 11.4690 11.4690 k = 0.3305 0.3305 0.3089 ( 3548 PWs) bands (ev): -15.7263 -15.7263 -15.6735 -15.6735 -5.1914 -5.1914 -5.1713 -5.1713 -5.1287 -5.1287 -5.1090 -5.1090 -3.1053 -3.1053 -3.0178 -3.0178 -2.9877 -2.9877 -2.9717 -2.9717 -2.9417 -2.9417 -2.8769 -2.8769 0.8052 0.8052 1.1264 1.1264 2.0549 2.0549 2.7217 2.7217 2.7597 2.7597 3.1841 3.1841 4.6040 4.6040 4.6159 4.6159 8.8116 8.8116 9.3128 9.3128 10.1136 10.1136 11.5026 11.5026 k = 0.3220 0.3220 0.3089 ( 3544 PWs) bands (ev): -15.7295 -15.7295 -15.6719 -15.6719 -5.1919 -5.1919 -5.1713 -5.1713 -5.1321 -5.1321 -5.1099 -5.1099 -3.1040 -3.1040 -3.0168 -3.0168 -2.9901 -2.9901 -2.9754 -2.9754 -2.9454 -2.9454 -2.8795 -2.8795 0.7528 0.7528 1.1068 1.1068 2.0722 2.0722 2.7400 2.7400 2.7793 2.7793 3.1932 3.1932 4.5862 4.5862 4.6175 4.6175 8.8577 8.8577 9.3405 9.3405 10.1135 10.1135 11.5381 11.5381 k = 0.3136 0.3136 0.3089 ( 3546 PWs) bands (ev): -15.7328 -15.7328 -15.6703 -15.6703 -5.1924 -5.1924 -5.1713 -5.1713 -5.1355 -5.1355 -5.1107 -5.1107 -3.1025 -3.1025 -3.0163 -3.0163 -2.9928 -2.9928 -2.9791 -2.9791 -2.9487 -2.9487 -2.8819 -2.8819 0.7021 0.7021 1.0893 1.0893 2.0898 2.0898 2.7551 2.7551 2.8000 2.8000 3.1996 3.1996 4.5653 4.5653 4.6176 4.6176 8.9083 8.9083 9.3671 9.3671 10.1225 10.1225 11.5751 11.5751 k = 0.3051 0.3051 0.3089 ( 3548 PWs) bands (ev): -15.7363 -15.7363 -15.6687 -15.6687 -5.1928 -5.1928 -5.1714 -5.1714 -5.1390 -5.1390 -5.1114 -5.1114 -3.1008 -3.1008 -3.0162 -3.0162 -2.9958 -2.9958 -2.9825 -2.9825 -2.9515 -2.9515 -2.8843 -2.8843 0.6531 0.6531 1.0738 1.0738 2.1076 2.1076 2.7685 2.7685 2.8202 2.8202 3.2036 3.2036 4.5417 4.5417 4.6155 4.6155 8.9623 8.9623 9.3929 9.3929 10.1408 10.1408 11.6138 11.6138 k = 0.2966 0.2966 0.3089 ( 3548 PWs) bands (ev): -15.7398 -15.7398 -15.6671 -15.6671 -5.1932 -5.1932 -5.1715 -5.1715 -5.1425 -5.1425 -5.1121 -5.1121 -3.0991 -3.0991 -3.0164 -3.0164 -2.9993 -2.9993 -2.9854 -2.9854 -2.9538 -2.9538 -2.8864 -2.8864 0.6060 0.6060 1.0605 1.0605 2.1257 2.1257 2.7811 2.7811 2.8392 2.8392 3.2049 3.2049 4.5158 4.5158 4.6110 4.6110 9.0188 9.0188 9.4186 9.4186 10.1685 10.1685 11.6537 11.6537 k = 0.2881 0.2881 0.3089 ( 3532 PWs) bands (ev): -15.7434 -15.7434 -15.6654 -15.6654 -5.1936 -5.1936 -5.1717 -5.1717 -5.1459 -5.1459 -5.1126 -5.1126 -3.0973 -3.0973 -3.0171 -3.0171 -3.0030 -3.0030 -2.9880 -2.9880 -2.9556 -2.9556 -2.8883 -2.8883 0.5607 0.5607 1.0493 1.0493 2.1438 2.1438 2.7931 2.7931 2.8566 2.8566 3.2038 3.2038 4.4882 4.4882 4.6037 4.6037 9.0763 9.0763 9.4454 9.4454 10.2052 10.2052 11.6948 11.6948 k = 0.2797 0.2797 0.3089 ( 3536 PWs) bands (ev): -15.7471 -15.7471 -15.6638 -15.6638 -5.1939 -5.1939 -5.1719 -5.1719 -5.1493 -5.1493 -5.1131 -5.1131 -3.0957 -3.0957 -3.0182 -3.0182 -3.0067 -3.0067 -2.9904 -2.9904 -2.9570 -2.9570 -2.8901 -2.8901 0.5172 0.5172 1.0402 1.0402 2.1620 2.1620 2.8047 2.8047 2.8723 2.8723 3.2001 3.2001 4.4592 4.4592 4.5934 4.5934 9.1335 9.1335 9.4746 9.4746 10.2503 10.2503 11.7370 11.7370 k = 0.2712 0.2712 0.3089 ( 3536 PWs) bands (ev): -15.7509 -15.7509 -15.6622 -15.6622 -5.1942 -5.1942 -5.1722 -5.1722 -5.1527 -5.1527 -5.1135 -5.1135 -3.0942 -3.0942 -3.0200 -3.0200 -3.0098 -3.0098 -2.9927 -2.9927 -2.9578 -2.9578 -2.8917 -2.8917 0.4755 0.4755 1.0333 1.0333 2.1802 2.1802 2.8160 2.8160 2.8862 2.8862 3.1939 3.1939 4.4294 4.4294 4.5797 4.5797 9.1889 9.1889 9.5076 9.5076 10.3031 10.3031 11.7801 11.7801 k = 0.2627 0.2627 0.3089 ( 3536 PWs) bands (ev): -15.7547 -15.7547 -15.6607 -15.6607 -5.1945 -5.1945 -5.1727 -5.1727 -5.1560 -5.1560 -5.1138 -5.1138 -3.0930 -3.0930 -3.0225 -3.0225 -3.0122 -3.0122 -2.9949 -2.9949 -2.9581 -2.9581 -2.8931 -2.8931 0.4356 0.4356 1.0286 1.0286 2.1983 2.1983 2.8270 2.8270 2.8985 2.8985 3.1852 3.1852 4.3993 4.3993 4.5625 4.5625 9.2412 9.2412 9.5458 9.5458 10.3626 10.3626 11.8242 11.8242 k = 0.2542 0.2542 0.3089 ( 3536 PWs) bands (ev): -15.7586 -15.7586 -15.6591 -15.6591 -5.1948 -5.1948 -5.1732 -5.1732 -5.1591 -5.1591 -5.1141 -5.1141 -3.0920 -3.0920 -3.0256 -3.0256 -3.0137 -3.0137 -2.9970 -2.9970 -2.9580 -2.9580 -2.8945 -2.8945 0.3974 0.3974 1.0261 1.0261 2.2164 2.2164 2.8377 2.8377 2.9093 2.9093 3.1740 3.1740 4.3692 4.3692 4.5417 4.5417 9.2898 9.2898 9.5896 9.5896 10.4283 10.4283 11.8691 11.8691 k = 0.2458 0.2458 0.3089 ( 3528 PWs) bands (ev): -15.7625 -15.7625 -15.6576 -15.6576 -5.1951 -5.1951 -5.1739 -5.1739 -5.1620 -5.1620 -5.1142 -5.1142 -3.0914 -3.0914 -3.0291 -3.0291 -3.0149 -3.0149 -2.9988 -2.9988 -2.9575 -2.9575 -2.8956 -2.8956 0.3610 0.3610 1.0259 1.0259 2.2342 2.2342 2.8481 2.8481 2.9185 2.9185 3.1603 3.1603 4.3395 4.3395 4.5170 4.5170 9.3345 9.3345 9.6391 9.6391 10.4992 10.4992 11.9150 11.9150 k = 0.2373 0.2373 0.3089 ( 3536 PWs) bands (ev): -15.7664 -15.7664 -15.6561 -15.6561 -5.1953 -5.1953 -5.1749 -5.1749 -5.1647 -5.1647 -5.1142 -5.1142 -3.0913 -3.0913 -3.0326 -3.0326 -3.0161 -3.0161 -2.9999 -2.9999 -2.9567 -2.9567 -2.8967 -2.8967 0.3262 0.3262 1.0278 1.0278 2.2519 2.2519 2.8582 2.8582 2.9262 2.9262 3.1442 3.1442 4.3107 4.3107 4.4884 4.4884 9.3760 9.3760 9.6931 9.6931 10.5748 10.5748 11.9622 11.9622 k = 0.2288 0.2288 0.3089 ( 3528 PWs) bands (ev): -15.7703 -15.7703 -15.6547 -15.6547 -5.1956 -5.1956 -5.1761 -5.1761 -5.1670 -5.1670 -5.1141 -5.1141 -3.0915 -3.0915 -3.0360 -3.0360 -3.0178 -3.0178 -2.9999 -2.9999 -2.9555 -2.9555 -2.8977 -2.8977 0.2931 0.2931 1.0320 1.0320 2.2692 2.2692 2.8679 2.8679 2.9327 2.9327 3.1258 3.1258 4.2829 4.2829 4.4560 4.4560 9.4150 9.4150 9.7506 9.7506 10.6543 10.6543 12.0110 12.0110 k = 0.2203 0.2203 0.3089 ( 3528 PWs) bands (ev): -15.7743 -15.7743 -15.6533 -15.6533 -5.1958 -5.1958 -5.1776 -5.1776 -5.1690 -5.1690 -5.1139 -5.1139 -3.0921 -3.0921 -3.0394 -3.0394 -3.0200 -3.0200 -2.9989 -2.9989 -2.9542 -2.9542 -2.8985 -2.8985 0.2617 0.2617 1.0384 1.0384 2.2863 2.2863 2.8773 2.8773 2.9379 2.9379 3.1052 3.1052 4.2564 4.2564 4.4198 4.4198 9.4522 9.4522 9.8104 9.8104 10.7373 10.7373 12.0618 12.0618 k = 0.2119 0.2119 0.3089 ( 3536 PWs) bands (ev): -15.7782 -15.7782 -15.6519 -15.6519 -5.1961 -5.1961 -5.1795 -5.1795 -5.1706 -5.1706 -5.1137 -5.1137 -3.0930 -3.0930 -3.0426 -3.0426 -3.0226 -3.0226 -2.9970 -2.9970 -2.9528 -2.9528 -2.8993 -2.8993 0.2317 0.2317 1.0471 1.0471 2.3030 2.3030 2.8864 2.8864 2.9420 2.9420 3.0826 3.0826 4.2313 4.2313 4.3801 4.3801 9.4879 9.4879 9.8716 9.8716 10.8232 10.8232 12.1149 12.1149 k = 0.2034 0.2034 0.3089 ( 3528 PWs) bands (ev): -15.7821 -15.7821 -15.6506 -15.6506 -5.1963 -5.1963 -5.1815 -5.1815 -5.1719 -5.1719 -5.1133 -5.1133 -3.0941 -3.0941 -3.0455 -3.0455 -3.0255 -3.0255 -2.9943 -2.9943 -2.9511 -2.9511 -2.9000 -2.9000 0.2034 0.2034 1.0579 1.0579 2.3193 2.3193 2.8951 2.8951 2.9450 2.9450 3.0582 3.0582 4.2075 4.2075 4.3371 4.3371 9.5222 9.5222 9.9339 9.9339 10.9116 10.9116 12.1709 12.1709 k = 0.1949 0.1949 0.3089 ( 3536 PWs) bands (ev): -15.7860 -15.7860 -15.6494 -15.6494 -5.1966 -5.1966 -5.1836 -5.1836 -5.1731 -5.1731 -5.1129 -5.1129 -3.0954 -3.0954 -3.0484 -3.0484 -3.0286 -3.0286 -2.9910 -2.9910 -2.9493 -2.9493 -2.9006 -2.9006 0.1765 0.1765 1.0710 1.0710 2.3351 2.3351 2.9033 2.9033 2.9468 2.9468 3.0324 3.0324 4.1845 4.1845 4.2916 4.2916 9.5545 9.5545 9.9973 9.9973 11.0023 11.0023 12.2301 12.2301 k = 0.1864 0.1864 0.3089 ( 3544 PWs) bands (ev): -15.7898 -15.7898 -15.6482 -15.6482 -5.1968 -5.1968 -5.1856 -5.1856 -5.1741 -5.1741 -5.1124 -5.1124 -3.0968 -3.0968 -3.0512 -3.0512 -3.0317 -3.0317 -2.9874 -2.9874 -2.9475 -2.9475 -2.9012 -2.9012 0.1511 0.1511 1.0862 1.0862 2.3504 2.3504 2.9112 2.9112 2.9472 2.9472 3.0060 3.0060 4.1614 4.1614 4.2448 4.2448 9.5845 9.5845 10.0620 10.0620 11.0948 11.0948 12.2926 12.2926 k = 0.1780 0.1780 0.3089 ( 3536 PWs) bands (ev): -15.7936 -15.7936 -15.6471 -15.6471 -5.1971 -5.1971 -5.1876 -5.1876 -5.1751 -5.1751 -5.1119 -5.1119 -3.0982 -3.0982 -3.0537 -3.0537 -3.0348 -3.0348 -2.9834 -2.9834 -2.9455 -2.9455 -2.9017 -2.9017 0.1270 0.1270 1.1035 1.1035 2.3652 2.3652 2.9187 2.9187 2.9448 2.9448 2.9807 2.9807 4.1348 4.1348 4.2004 4.2004 9.6113 9.6113 10.1283 10.1283 11.1890 11.1890 12.3587 12.3587 k = 0.1695 0.1695 0.3089 ( 3524 PWs) bands (ev): -15.7972 -15.7972 -15.6460 -15.6460 -5.1973 -5.1973 -5.1894 -5.1894 -5.1761 -5.1761 -5.1113 -5.1113 -3.0995 -3.0995 -3.0562 -3.0562 -3.0378 -3.0378 -2.9792 -2.9792 -2.9433 -2.9433 -2.9022 -2.9022 0.1044 0.1044 1.1230 1.1230 2.3794 2.3794 2.9251 2.9251 2.9333 2.9333 2.9636 2.9636 4.0979 4.0979 4.1654 4.1654 9.6344 9.6344 10.1969 10.1969 11.2845 11.2845 12.4282 12.4282 k = 0.1610 0.1610 0.3089 ( 3528 PWs) bands (ev): -15.8008 -15.8008 -15.6450 -15.6450 -5.1976 -5.1976 -5.1911 -5.1911 -5.1771 -5.1771 -5.1106 -5.1106 -3.1008 -3.1008 -3.0585 -3.0585 -3.0407 -3.0407 -2.9750 -2.9750 -2.9412 -2.9412 -2.9026 -2.9026 0.0831 0.0831 1.1444 1.1444 2.3929 2.3929 2.9078 2.9078 2.9328 2.9328 2.9580 2.9580 4.0484 4.0484 4.1421 4.1421 9.6534 9.6534 10.2681 10.2681 11.3811 11.3811 12.5008 12.5008 k = 0.1525 0.1525 0.3089 ( 3530 PWs) bands (ev): -15.8043 -15.8043 -15.6440 -15.6440 -5.1980 -5.1980 -5.1927 -5.1927 -5.1781 -5.1781 -5.1100 -5.1100 -3.1020 -3.1020 -3.0608 -3.0608 -3.0435 -3.0435 -2.9708 -2.9708 -2.9389 -2.9389 -2.9030 -2.9030 0.0630 0.0630 1.1677 1.1677 2.4059 2.4059 2.8793 2.8793 2.9387 2.9387 2.9561 2.9561 3.9917 3.9917 4.1257 4.1257 9.6680 9.6680 10.3422 10.3422 11.4785 11.4785 12.5761 12.5761 k = 0.1441 0.1441 0.3089 ( 3526 PWs) bands (ev): -15.8077 -15.8077 -15.6431 -15.6431 -5.1983 -5.1983 -5.1940 -5.1940 -5.1791 -5.1791 -5.1093 -5.1093 -3.1030 -3.1030 -3.0628 -3.0628 -3.0462 -3.0462 -2.9666 -2.9666 -2.9366 -2.9366 -2.9034 -2.9034 0.0442 0.0442 1.1928 1.1928 2.4181 2.4181 2.8498 2.8498 2.9439 2.9439 2.9555 2.9555 3.9312 3.9312 4.1128 4.1128 9.6782 9.6782 10.4194 10.4194 11.5763 11.5763 12.6536 12.6536 k = 0.1356 0.1356 0.3089 ( 3526 PWs) bands (ev): -15.8110 -15.8110 -15.6423 -15.6423 -5.1987 -5.1987 -5.1952 -5.1952 -5.1801 -5.1801 -5.1086 -5.1086 -3.1039 -3.1039 -3.0648 -3.0648 -3.0487 -3.0487 -2.9624 -2.9624 -2.9343 -2.9343 -2.9037 -2.9037 0.0266 0.0266 1.2196 1.2196 2.4295 2.4295 2.8204 2.8204 2.9474 2.9474 2.9563 2.9563 3.8686 3.8686 4.1022 4.1022 9.6842 9.6842 10.4997 10.4997 11.6739 11.6739 12.7325 12.7325 k = 0.1271 0.1271 0.3089 ( 3526 PWs) bands (ev): -15.8141 -15.8141 -15.6415 -15.6415 -5.1991 -5.1991 -5.1961 -5.1961 -5.1812 -5.1812 -5.1080 -5.1080 -3.1047 -3.1047 -3.0667 -3.0667 -3.0511 -3.0511 -2.9585 -2.9585 -2.9319 -2.9319 -2.9041 -2.9041 0.0103 0.0103 1.2480 1.2480 2.4402 2.4402 2.7914 2.7914 2.9484 2.9484 2.9594 2.9594 3.8045 3.8045 4.0932 4.0932 9.6865 9.6865 10.5826 10.5826 11.7708 11.7708 12.8119 12.8119 k = 0.1186 0.1186 0.3089 ( 3526 PWs) bands (ev): -15.8171 -15.8171 -15.6407 -15.6407 -5.1995 -5.1995 -5.1969 -5.1969 -5.1822 -5.1822 -5.1073 -5.1073 -3.1053 -3.1053 -3.0685 -3.0685 -3.0533 -3.0533 -2.9546 -2.9546 -2.9295 -2.9295 -2.9044 -2.9044 -0.0050 -0.0050 1.2776 1.2776 2.4500 2.4500 2.7634 2.7634 2.9479 2.9479 2.9635 2.9635 3.7398 3.7398 4.0856 4.0856 9.6855 9.6855 10.6680 10.6680 11.8661 11.8661 12.8909 12.8909 k = 0.1102 0.1102 0.3089 ( 3526 PWs) bands (ev): -15.8200 -15.8200 -15.6401 -15.6401 -5.1999 -5.1999 -5.1975 -5.1975 -5.1833 -5.1833 -5.1067 -5.1067 -3.1058 -3.1058 -3.0701 -3.0701 -3.0554 -3.0554 -2.9510 -2.9510 -2.9271 -2.9271 -2.9047 -2.9047 -0.0190 -0.0190 1.3084 1.3084 2.4588 2.4588 2.7366 2.7366 2.9471 2.9471 2.9678 2.9678 3.6749 3.6749 4.0792 4.0792 9.6818 9.6818 10.7554 10.7554 11.9588 11.9588 12.9683 12.9683 k = 0.1017 0.1017 0.3089 ( 3520 PWs) bands (ev): -15.8226 -15.8226 -15.6394 -15.6394 -5.2003 -5.2003 -5.1979 -5.1979 -5.1843 -5.1843 -5.1061 -5.1061 -3.1062 -3.1062 -3.0716 -3.0716 -3.0573 -3.0573 -2.9475 -2.9475 -2.9247 -2.9247 -2.9050 -2.9050 -0.0320 -0.0320 1.3401 1.3401 2.4667 2.4667 2.7114 2.7114 2.9462 2.9462 2.9720 2.9720 3.6103 3.6103 4.0737 4.0737 9.6760 9.6760 10.8442 10.8442 12.0478 12.0478 13.0431 13.0431 k = 0.0932 0.0932 0.3089 ( 3524 PWs) bands (ev): -15.8251 -15.8251 -15.6389 -15.6389 -5.2007 -5.2007 -5.1983 -5.1983 -5.1854 -5.1854 -5.1055 -5.1055 -3.1065 -3.1065 -3.0730 -3.0730 -3.0591 -3.0591 -2.9442 -2.9442 -2.9225 -2.9225 -2.9054 -2.9054 -0.0439 -0.0439 1.3723 1.3723 2.4734 2.4734 2.6881 2.6881 2.9454 2.9454 2.9759 2.9759 3.5466 3.5466 4.0690 4.0690 9.6685 9.6685 10.9338 10.9338 12.1314 12.1314 13.1142 13.1142 k = 0.0847 0.0847 0.3089 ( 3524 PWs) bands (ev): -15.8275 -15.8275 -15.6384 -15.6384 -5.2010 -5.2010 -5.1985 -5.1985 -5.1864 -5.1864 -5.1050 -5.1050 -3.1067 -3.1067 -3.0742 -3.0742 -3.0607 -3.0607 -2.9411 -2.9411 -2.9203 -2.9203 -2.9057 -2.9057 -0.0547 -0.0547 1.4046 1.4046 2.4789 2.4789 2.6668 2.6668 2.9448 2.9448 2.9796 2.9796 3.4843 3.4843 4.0651 4.0651 9.6600 9.6600 11.0234 11.0234 12.2081 12.2081 13.1808 13.1808 k = 0.0763 0.0763 0.3089 ( 3520 PWs) bands (ev): -15.8296 -15.8296 -15.6379 -15.6379 -5.2012 -5.2012 -5.1987 -5.1987 -5.1874 -5.1874 -5.1045 -5.1045 -3.1068 -3.1068 -3.0753 -3.0753 -3.0622 -3.0622 -2.9383 -2.9383 -2.9183 -2.9183 -2.9060 -2.9060 -0.0644 -0.0644 1.4368 1.4368 2.4831 2.4831 2.6480 2.6480 2.9446 2.9446 2.9832 2.9832 3.4239 3.4239 4.0618 4.0618 9.6508 9.6508 11.1122 11.1122 12.2759 12.2759 13.2425 13.2425 k = 0.0678 0.0678 0.3089 ( 3518 PWs) bands (ev): -15.8315 -15.8315 -15.6375 -15.6375 -5.2013 -5.2013 -5.1989 -5.1989 -5.1884 -5.1884 -5.1040 -5.1040 -3.1069 -3.1069 -3.0763 -3.0763 -3.0635 -3.0635 -2.9356 -2.9356 -2.9164 -2.9164 -2.9064 -2.9064 -0.0731 -0.0731 1.4681 1.4681 2.4859 2.4859 2.6318 2.6318 2.9447 2.9447 2.9866 2.9866 3.3660 3.3660 4.0591 4.0591 9.6415 9.6415 11.1993 11.1993 12.3331 12.3331 13.2996 13.2996 k = 0.0593 0.0593 0.3089 ( 3514 PWs) bands (ev): -15.8332 -15.8332 -15.6371 -15.6371 -5.2014 -5.2014 -5.1989 -5.1989 -5.1894 -5.1894 -5.1036 -5.1036 -3.1069 -3.1069 -3.0771 -3.0771 -3.0647 -3.0647 -2.9331 -2.9331 -2.9148 -2.9148 -2.9067 -2.9067 -0.0807 -0.0807 1.4982 1.4982 2.4872 2.4872 2.6185 2.6185 2.9454 2.9454 2.9900 2.9900 3.3111 3.3111 4.0568 4.0568 9.6324 9.6324 11.2836 11.2836 12.3782 12.3782 13.3527 13.3527 k = 0.0508 0.0508 0.3089 ( 3514 PWs) bands (ev): -15.8347 -15.8347 -15.6368 -15.6368 -5.2014 -5.2014 -5.1989 -5.1989 -5.1903 -5.1903 -5.1033 -5.1033 -3.1068 -3.1068 -3.0778 -3.0778 -3.0658 -3.0658 -2.9309 -2.9309 -2.9134 -2.9134 -2.9070 -2.9070 -0.0873 -0.0873 1.5263 1.5263 2.4871 2.4871 2.6079 2.6079 2.9466 2.9466 2.9935 2.9935 3.2600 3.2600 4.0549 4.0549 9.6239 9.6239 11.3636 11.3636 12.4107 12.4107 13.4025 13.4025 k = 0.0424 0.0424 0.3089 ( 3506 PWs) bands (ev): -15.8359 -15.8359 -15.6366 -15.6366 -5.2014 -5.2014 -5.1988 -5.1988 -5.1912 -5.1912 -5.1030 -5.1030 -3.1068 -3.1068 -3.0784 -3.0784 -3.0667 -3.0667 -2.9289 -2.9289 -2.9122 -2.9122 -2.9072 -2.9072 -0.0929 -0.0929 1.5518 1.5518 2.4859 2.4859 2.6000 2.6000 2.9484 2.9484 2.9973 2.9973 3.2131 3.2131 4.0534 4.0534 9.6162 9.6162 11.4378 11.4378 12.4310 12.4310 13.4491 13.4491 k = 0.0339 0.0339 0.3089 ( 3514 PWs) bands (ev): -15.8370 -15.8370 -15.6364 -15.6364 -5.2014 -5.2014 -5.1986 -5.1986 -5.1921 -5.1921 -5.1027 -5.1027 -3.1067 -3.1067 -3.0788 -3.0788 -3.0675 -3.0675 -2.9272 -2.9272 -2.9115 -2.9115 -2.9074 -2.9074 -0.0974 -0.0974 1.5740 1.5740 2.4840 2.4840 2.5944 2.5944 2.9506 2.9506 3.0017 3.0017 3.1711 3.1711 4.0523 4.0523 9.6096 9.6096 11.5041 11.5041 12.4408 12.4408 13.4917 13.4917 k = 0.0254 0.0254 0.3089 ( 3506 PWs) bands (ev): -15.8378 -15.8378 -15.6362 -15.6362 -5.2014 -5.2014 -5.1984 -5.1984 -5.1928 -5.1928 -5.1025 -5.1025 -3.1067 -3.1067 -3.0792 -3.0792 -3.0681 -3.0681 -2.9257 -2.9257 -2.9111 -2.9111 -2.9073 -2.9073 -0.1010 -0.1010 1.5922 1.5922 2.4819 2.4819 2.5907 2.5907 2.9531 2.9531 3.0073 3.0073 3.1345 3.1345 4.0514 4.0514 9.6043 9.6043 11.5601 11.5601 12.4429 12.4429 13.5285 13.5285 k = 0.0169 0.0169 0.3089 ( 3502 PWs) bands (ev): -15.8384 -15.8384 -15.6361 -15.6361 -5.2014 -5.2014 -5.1981 -5.1981 -5.1934 -5.1934 -5.1024 -5.1024 -3.1066 -3.1066 -3.0794 -3.0794 -3.0685 -3.0685 -2.9247 -2.9247 -2.9109 -2.9109 -2.9072 -2.9072 -0.1035 -0.1035 1.6058 1.6058 2.4800 2.4800 2.5884 2.5884 2.9555 2.9555 3.0142 3.0142 3.1042 3.1042 4.0508 4.0508 9.6003 9.6003 11.6030 11.6030 12.4407 12.4407 13.5572 13.5572 k = 0.0085 0.0085 0.3089 ( 3514 PWs) bands (ev): -15.8388 -15.8388 -15.6360 -15.6360 -5.2014 -5.2014 -5.1979 -5.1979 -5.1939 -5.1939 -5.1023 -5.1023 -3.1066 -3.1066 -3.0795 -3.0795 -3.0688 -3.0688 -2.9240 -2.9240 -2.9109 -2.9109 -2.9071 -2.9071 -0.1050 -0.1050 1.6141 1.6141 2.4787 2.4787 2.5871 2.5871 2.9572 2.9572 3.0220 3.0220 3.0818 3.0818 4.0504 4.0504 9.5980 9.5980 11.6302 11.6302 12.4377 12.4377 13.5756 13.5756 k = 0.0000 0.0000 0.3089 ( 3514 PWs) bands (ev): -15.8389 -15.8389 -15.6360 -15.6360 -5.2014 -5.2014 -5.1978 -5.1978 -5.1941 -5.1941 -5.1023 -5.1023 -3.1066 -3.1066 -3.0796 -3.0796 -3.0689 -3.0689 -2.9238 -2.9238 -2.9109 -2.9109 -2.9071 -2.9071 -0.1055 -0.1055 1.6169 1.6169 2.4783 2.4783 2.5867 2.5867 2.9578 2.9578 3.0264 3.0264 3.0724 3.0724 4.0503 4.0503 9.5972 9.5972 11.6396 11.6396 12.4363 12.4363 13.5819 13.5819 k = 0.0000 0.5000-0.0000 ( 3500 PWs) bands (ev): -15.7052 -15.7052 -15.7052 -15.7052 -5.2001 -5.2001 -5.2001 -5.2001 -5.1308 -5.1308 -5.1308 -5.1308 -3.0929 -3.0929 -3.0929 -3.0929 -2.9866 -2.9866 -2.9866 -2.9866 -2.9277 -2.9277 -2.9277 -2.9277 0.5113 0.5113 0.5113 0.5113 2.6848 2.6848 2.6848 2.6848 3.0723 3.0723 3.0723 3.0723 4.6093 4.6093 4.6093 4.6093 8.8375 8.8375 8.8375 8.8375 11.4696 11.4696 11.4697 11.4697 k = 0.0000 0.5000 0.0119 ( 3506 PWs) bands (ev): -15.7052 -15.7052 -15.7052 -15.7052 -5.2001 -5.2001 -5.2001 -5.2001 -5.1308 -5.1308 -5.1308 -5.1308 -3.0930 -3.0930 -3.0930 -3.0930 -2.9866 -2.9866 -2.9866 -2.9866 -2.9277 -2.9277 -2.9277 -2.9277 0.5109 0.5109 0.5109 0.5109 2.6861 2.6861 2.6861 2.6861 3.0723 3.0723 3.0723 3.0723 4.6097 4.6097 4.6097 4.6097 8.8332 8.8332 8.8333 8.8333 11.4746 11.4746 11.4746 11.4746 k = 0.0000 0.5000 0.0238 ( 3502 PWs) bands (ev): -15.7052 -15.7052 -15.7052 -15.7052 -5.2001 -5.2001 -5.2001 -5.2001 -5.1309 -5.1309 -5.1309 -5.1309 -3.0932 -3.0932 -3.0932 -3.0932 -2.9867 -2.9867 -2.9867 -2.9867 -2.9277 -2.9277 -2.9277 -2.9277 0.5097 0.5097 0.5097 0.5097 2.6898 2.6898 2.6898 2.6898 3.0724 3.0724 3.0724 3.0724 4.6108 4.6108 4.6108 4.6108 8.8205 8.8205 8.8205 8.8205 11.4894 11.4894 11.4894 11.4894 k = 0.0000 0.5000 0.0356 ( 3510 PWs) bands (ev): -15.7052 -15.7052 -15.7052 -15.7052 -5.2002 -5.2002 -5.2002 -5.2002 -5.1311 -5.1311 -5.1311 -5.1311 -3.0936 -3.0936 -3.0936 -3.0936 -2.9868 -2.9868 -2.9868 -2.9868 -2.9277 -2.9277 -2.9277 -2.9277 0.5078 0.5078 0.5078 0.5078 2.6958 2.6958 2.6958 2.6958 3.0725 3.0725 3.0725 3.0725 4.6128 4.6128 4.6128 4.6128 8.7998 8.7998 8.7998 8.7998 11.5136 11.5136 11.5136 11.5136 k = 0.0000 0.5000 0.0475 ( 3522 PWs) bands (ev): -15.7052 -15.7052 -15.7052 -15.7052 -5.2003 -5.2003 -5.2003 -5.2003 -5.1313 -5.1313 -5.1313 -5.1313 -3.0942 -3.0942 -3.0942 -3.0942 -2.9870 -2.9870 -2.9870 -2.9870 -2.9278 -2.9278 -2.9278 -2.9278 0.5052 0.5052 0.5052 0.5052 2.7041 2.7041 2.7041 2.7041 3.0726 3.0726 3.0726 3.0726 4.6155 4.6155 4.6155 4.6155 8.7715 8.7715 8.7715 8.7715 11.5465 11.5465 11.5465 11.5465 k = 0.0000 0.5000 0.0594 ( 3526 PWs) bands (ev): -15.7051 -15.7051 -15.7051 -15.7051 -5.2004 -5.2004 -5.2004 -5.2004 -5.1316 -5.1316 -5.1316 -5.1316 -3.0949 -3.0949 -3.0949 -3.0949 -2.9871 -2.9871 -2.9871 -2.9871 -2.9279 -2.9279 -2.9279 -2.9279 0.5019 0.5019 0.5019 0.5019 2.7146 2.7146 2.7146 2.7146 3.0728 3.0728 3.0728 3.0728 4.6191 4.6191 4.6191 4.6191 8.7366 8.7366 8.7366 8.7366 11.5874 11.5874 11.5874 11.5874 k = 0.0000 0.5000 0.0713 ( 3526 PWs) bands (ev): -15.7051 -15.7051 -15.7051 -15.7051 -5.2005 -5.2005 -5.2005 -5.2005 -5.1319 -5.1319 -5.1319 -5.1319 -3.0957 -3.0957 -3.0957 -3.0957 -2.9873 -2.9873 -2.9873 -2.9873 -2.9279 -2.9279 -2.9279 -2.9279 0.4981 0.4981 0.4981 0.4981 2.7271 2.7271 2.7271 2.7271 3.0730 3.0730 3.0730 3.0730 4.6233 4.6233 4.6233 4.6233 8.6960 8.6960 8.6960 8.6960 11.6352 11.6352 11.6352 11.6352 k = 0.0000 0.5000 0.0832 ( 3522 PWs) bands (ev): -15.7050 -15.7050 -15.7050 -15.7050 -5.2006 -5.2006 -5.2006 -5.2006 -5.1323 -5.1323 -5.1323 -5.1323 -3.0966 -3.0966 -3.0966 -3.0966 -2.9875 -2.9875 -2.9875 -2.9875 -2.9280 -2.9280 -2.9280 -2.9280 0.4937 0.4937 0.4937 0.4937 2.7413 2.7413 2.7413 2.7413 3.0732 3.0732 3.0732 3.0732 4.6284 4.6284 4.6284 4.6284 8.6504 8.6504 8.6504 8.6504 11.6891 11.6891 11.6891 11.6891 k = 0.0000 0.5000 0.0950 ( 3518 PWs) bands (ev): -15.7049 -15.7049 -15.7049 -15.7049 -5.2008 -5.2008 -5.2008 -5.2008 -5.1327 -5.1327 -5.1327 -5.1327 -3.0977 -3.0977 -3.0977 -3.0977 -2.9878 -2.9878 -2.9878 -2.9878 -2.9280 -2.9280 -2.9280 -2.9280 0.4889 0.4889 0.4889 0.4889 2.7571 2.7571 2.7571 2.7571 3.0734 3.0734 3.0734 3.0734 4.6341 4.6341 4.6341 4.6341 8.6009 8.6009 8.6009 8.6009 11.7478 11.7478 11.7478 11.7478 k = 0.0000 0.5000 0.1069 ( 3514 PWs) bands (ev): -15.7048 -15.7048 -15.7048 -15.7048 -5.2009 -5.2009 -5.2009 -5.2009 -5.1331 -5.1331 -5.1331 -5.1331 -3.0988 -3.0988 -3.0988 -3.0988 -2.9880 -2.9880 -2.9880 -2.9880 -2.9280 -2.9280 -2.9280 -2.9280 0.4838 0.4838 0.4838 0.4838 2.7742 2.7742 2.7742 2.7742 3.0737 3.0737 3.0737 3.0737 4.6405 4.6405 4.6405 4.6405 8.5484 8.5484 8.5484 8.5484 11.8104 11.8104 11.8104 11.8104 k = 0.0000 0.5000 0.1188 ( 3514 PWs) bands (ev): -15.7048 -15.7048 -15.7048 -15.7048 -5.2011 -5.2011 -5.2011 -5.2011 -5.1336 -5.1336 -5.1336 -5.1336 -3.1000 -3.1000 -3.1000 -3.1000 -2.9883 -2.9883 -2.9883 -2.9883 -2.9281 -2.9281 -2.9281 -2.9281 0.4784 0.4784 0.4784 0.4784 2.7924 2.7924 2.7924 2.7924 3.0740 3.0740 3.0740 3.0740 4.6476 4.6476 4.6476 4.6476 8.4939 8.4939 8.4939 8.4939 11.8759 11.8759 11.8759 11.8759 k = 0.0000 0.5000 0.1307 ( 3518 PWs) bands (ev): -15.7047 -15.7047 -15.7047 -15.7047 -5.2013 -5.2013 -5.2013 -5.2013 -5.1341 -5.1341 -5.1341 -5.1341 -3.1013 -3.1013 -3.1013 -3.1013 -2.9886 -2.9886 -2.9886 -2.9886 -2.9281 -2.9281 -2.9281 -2.9281 0.4728 0.4728 0.4728 0.4728 2.8112 2.8112 2.8112 2.8112 3.0743 3.0743 3.0743 3.0743 4.6552 4.6552 4.6552 4.6552 8.4380 8.4380 8.4380 8.4380 11.9431 11.9431 11.9431 11.9431 k = 0.0000 0.5000 0.1426 ( 3522 PWs) bands (ev): -15.7046 -15.7046 -15.7046 -15.7046 -5.2015 -5.2015 -5.2015 -5.2015 -5.1346 -5.1346 -5.1346 -5.1346 -3.1027 -3.1027 -3.1027 -3.1027 -2.9890 -2.9890 -2.9890 -2.9890 -2.9281 -2.9281 -2.9281 -2.9281 0.4672 0.4672 0.4672 0.4672 2.8306 2.8306 2.8306 2.8306 3.0746 3.0746 3.0746 3.0746 4.6633 4.6633 4.6633 4.6633 8.3817 8.3817 8.3817 8.3817 12.0112 12.0112 12.0112 12.0112 k = 0.0000 0.5000 0.1544 ( 3522 PWs) bands (ev): -15.7045 -15.7045 -15.7045 -15.7045 -5.2017 -5.2017 -5.2017 -5.2017 -5.1352 -5.1352 -5.1352 -5.1352 -3.1040 -3.1040 -3.1040 -3.1040 -2.9893 -2.9893 -2.9893 -2.9893 -2.9282 -2.9282 -2.9282 -2.9282 0.4616 0.4616 0.4616 0.4616 2.8502 2.8502 2.8502 2.8502 3.0749 3.0749 3.0749 3.0749 4.6719 4.6719 4.6719 4.6719 8.3258 8.3258 8.3258 8.3258 12.0792 12.0792 12.0792 12.0792 k = 0.0000 0.5000 0.1663 ( 3522 PWs) bands (ev): -15.7044 -15.7044 -15.7044 -15.7044 -5.2019 -5.2019 -5.2019 -5.2019 -5.1357 -5.1357 -5.1357 -5.1357 -3.1054 -3.1054 -3.1054 -3.1054 -2.9897 -2.9897 -2.9897 -2.9897 -2.9282 -2.9282 -2.9282 -2.9282 0.4561 0.4561 0.4561 0.4561 2.8696 2.8696 2.8696 2.8696 3.0752 3.0752 3.0752 3.0752 4.6808 4.6808 4.6808 4.6808 8.2708 8.2708 8.2708 8.2708 12.1460 12.1460 12.1460 12.1460 k = 0.0000 0.5000 0.1782 ( 3512 PWs) bands (ev): -15.7043 -15.7043 -15.7043 -15.7043 -5.2021 -5.2021 -5.2021 -5.2021 -5.1361 -5.1361 -5.1361 -5.1361 -3.1067 -3.1067 -3.1067 -3.1067 -2.9900 -2.9900 -2.9900 -2.9900 -2.9281 -2.9281 -2.9281 -2.9281 0.4507 0.4507 0.4507 0.4507 2.8887 2.8887 2.8887 2.8887 3.0756 3.0756 3.0756 3.0756 4.6899 4.6899 4.6899 4.6899 8.2174 8.2174 8.2174 8.2174 12.2109 12.2109 12.2109 12.2109 k = 0.0000 0.5000 0.1901 ( 3514 PWs) bands (ev): -15.7042 -15.7042 -15.7042 -15.7042 -5.2023 -5.2023 -5.2023 -5.2023 -5.1366 -5.1366 -5.1366 -5.1366 -3.1080 -3.1080 -3.1080 -3.1080 -2.9903 -2.9903 -2.9903 -2.9903 -2.9281 -2.9281 -2.9281 -2.9281 0.4456 0.4456 0.4456 0.4456 2.9071 2.9071 2.9071 2.9071 3.0759 3.0759 3.0759 3.0759 4.6991 4.6991 4.6991 4.6991 8.1663 8.1663 8.1664 8.1664 12.2730 12.2730 12.2730 12.2730 k = 0.0000 0.5000 0.2020 ( 3518 PWs) bands (ev): -15.7041 -15.7041 -15.7041 -15.7041 -5.2025 -5.2025 -5.2025 -5.2025 -5.1371 -5.1371 -5.1371 -5.1371 -3.1093 -3.1093 -3.1093 -3.1093 -2.9906 -2.9906 -2.9906 -2.9906 -2.9281 -2.9281 -2.9281 -2.9281 0.4407 0.4407 0.4408 0.4408 2.9246 2.9246 2.9246 2.9246 3.0762 3.0762 3.0762 3.0762 4.7082 4.7082 4.7082 4.7082 8.1181 8.1181 8.1181 8.1181 12.3314 12.3314 12.3314 12.3314 k = 0.0000 0.5000 0.2139 ( 3528 PWs) bands (ev): -15.7041 -15.7041 -15.7041 -15.7041 -5.2026 -5.2026 -5.2026 -5.2026 -5.1376 -5.1376 -5.1376 -5.1376 -3.1105 -3.1105 -3.1105 -3.1105 -2.9910 -2.9910 -2.9910 -2.9910 -2.9281 -2.9281 -2.9281 -2.9281 0.4363 0.4363 0.4363 0.4363 2.9409 2.9409 2.9409 2.9409 3.0765 3.0765 3.0765 3.0765 4.7170 4.7170 4.7170 4.7170 8.0733 8.0733 8.0733 8.0733 12.3855 12.3855 12.3855 12.3855 k = 0.0000 0.5000 0.2257 ( 3532 PWs) bands (ev): -15.7040 -15.7040 -15.7040 -15.7040 -5.2028 -5.2028 -5.2028 -5.2028 -5.1380 -5.1380 -5.1380 -5.1380 -3.1116 -3.1116 -3.1116 -3.1116 -2.9912 -2.9912 -2.9912 -2.9912 -2.9281 -2.9281 -2.9281 -2.9281 0.4322 0.4322 0.4322 0.4322 2.9559 2.9559 2.9559 2.9559 3.0768 3.0768 3.0768 3.0768 4.7254 4.7254 4.7254 4.7254 8.0325 8.0325 8.0325 8.0325 12.4346 12.4346 12.4346 12.4346 k = 0.0000 0.5000 0.2376 ( 3522 PWs) bands (ev): -15.7039 -15.7039 -15.7039 -15.7039 -5.2029 -5.2029 -5.2029 -5.2029 -5.1383 -5.1383 -5.1383 -5.1383 -3.1126 -3.1126 -3.1126 -3.1126 -2.9915 -2.9915 -2.9915 -2.9915 -2.9280 -2.9280 -2.9280 -2.9280 0.4286 0.4286 0.4286 0.4286 2.9692 2.9692 2.9692 2.9692 3.0771 3.0771 3.0771 3.0771 4.7331 4.7331 4.7331 4.7331 7.9960 7.9960 7.9960 7.9960 12.4781 12.4781 12.4781 12.4781 k = 0.0000 0.5000 0.2495 ( 3522 PWs) bands (ev): -15.7039 -15.7039 -15.7039 -15.7039 -5.2031 -5.2031 -5.2031 -5.2031 -5.1386 -5.1386 -5.1386 -5.1386 -3.1134 -3.1134 -3.1134 -3.1134 -2.9917 -2.9917 -2.9917 -2.9917 -2.9280 -2.9280 -2.9280 -2.9280 0.4255 0.4255 0.4255 0.4255 2.9808 2.9808 2.9808 2.9808 3.0774 3.0774 3.0774 3.0774 4.7401 4.7401 4.7401 4.7401 7.9643 7.9643 7.9643 7.9643 12.5155 12.5155 12.5155 12.5155 k = 0.0000 0.5000 0.2614 ( 3522 PWs) bands (ev): -15.7038 -15.7038 -15.7038 -15.7038 -5.2032 -5.2032 -5.2032 -5.2032 -5.1389 -5.1389 -5.1389 -5.1389 -3.1141 -3.1141 -3.1141 -3.1141 -2.9919 -2.9919 -2.9919 -2.9919 -2.9279 -2.9279 -2.9279 -2.9279 0.4229 0.4229 0.4229 0.4229 2.9905 2.9905 2.9905 2.9905 3.0776 3.0776 3.0776 3.0776 4.7461 4.7461 4.7461 4.7461 7.9379 7.9379 7.9379 7.9379 12.5465 12.5465 12.5465 12.5465 k = 0.0000 0.5000 0.2733 ( 3522 PWs) bands (ev): -15.7038 -15.7038 -15.7038 -15.7038 -5.2033 -5.2033 -5.2033 -5.2033 -5.1391 -5.1391 -5.1391 -5.1391 -3.1147 -3.1147 -3.1147 -3.1147 -2.9920 -2.9920 -2.9920 -2.9920 -2.9279 -2.9279 -2.9279 -2.9279 0.4209 0.4209 0.4209 0.4209 2.9981 2.9981 2.9981 2.9981 3.0778 3.0778 3.0778 3.0778 4.7509 4.7509 4.7509 4.7509 7.9170 7.9170 7.9170 7.9170 12.5709 12.5709 12.5709 12.5709 k = 0.0000 0.5000 0.2851 ( 3526 PWs) bands (ev): -15.7038 -15.7038 -15.7038 -15.7038 -5.2033 -5.2033 -5.2033 -5.2033 -5.1392 -5.1392 -5.1392 -5.1392 -3.1151 -3.1151 -3.1151 -3.1151 -2.9921 -2.9921 -2.9921 -2.9921 -2.9279 -2.9279 -2.9279 -2.9279 0.4194 0.4194 0.4194 0.4194 3.0036 3.0036 3.0036 3.0036 3.0780 3.0780 3.0780 3.0780 4.7544 4.7544 4.7544 4.7544 7.9018 7.9018 7.9018 7.9018 12.5884 12.5884 12.5884 12.5884 k = 0.0000 0.5000 0.2970 ( 3526 PWs) bands (ev): -15.7038 -15.7038 -15.7038 -15.7038 -5.2034 -5.2034 -5.2034 -5.2034 -5.1393 -5.1393 -5.1393 -5.1393 -3.1154 -3.1154 -3.1154 -3.1154 -2.9922 -2.9922 -2.9922 -2.9922 -2.9279 -2.9279 -2.9279 -2.9279 0.4186 0.4186 0.4186 0.4186 3.0070 3.0070 3.0070 3.0070 3.0781 3.0781 3.0781 3.0781 4.7566 4.7566 4.7566 4.7566 7.8927 7.8927 7.8927 7.8927 12.5990 12.5990 12.5990 12.5990 k = 0.0000 0.5000 0.3089 ( 3528 PWs) bands (ev): -15.7037 -15.7037 -15.7037 -15.7037 -5.2034 -5.2034 -5.2034 -5.2034 -5.1394 -5.1394 -5.1394 -5.1394 -3.1155 -3.1155 -3.1155 -3.1155 -2.9922 -2.9922 -2.9922 -2.9922 -2.9279 -2.9279 -2.9279 -2.9279 0.4182 0.4182 0.4182 0.4182 3.0081 3.0081 3.0081 3.0081 3.0781 3.0781 3.0781 3.0781 4.7573 4.7573 4.7574 4.7574 7.8896 7.8896 7.8896 7.8896 12.6025 12.6025 12.6025 12.6025 k = 0.5000 0.5000-0.0000 ( 3592 PWs) bands (ev): -15.6942 -15.6942 -15.6942 -15.6942 -5.1840 -5.1840 -5.1840 -5.1840 -5.0778 -5.0778 -5.0778 -5.0778 -3.0896 -3.0896 -3.0896 -3.0896 -2.8863 -2.8863 -2.8863 -2.8863 -2.8682 -2.8682 -2.8682 -2.8682 1.7196 1.7196 1.7196 1.7196 2.0756 2.0756 2.0756 2.0756 2.6910 2.6910 2.6910 2.6910 4.0019 4.0019 4.0019 4.0019 9.0504 9.0504 9.0504 9.0504 11.1948 11.1948 11.1948 11.1948 k = 0.5000 0.5000 0.0119 ( 3576 PWs) bands (ev): -15.6942 -15.6942 -15.6942 -15.6942 -5.1839 -5.1839 -5.1839 -5.1839 -5.0778 -5.0778 -5.0778 -5.0778 -3.0895 -3.0895 -3.0895 -3.0895 -2.8867 -2.8867 -2.8867 -2.8867 -2.8679 -2.8679 -2.8679 -2.8679 1.7201 1.7201 1.7201 1.7201 2.0748 2.0748 2.0748 2.0748 2.6907 2.6907 2.6907 2.6907 4.0038 4.0038 4.0038 4.0038 9.0497 9.0497 9.0497 9.0497 11.1940 11.1940 11.1940 11.1940 k = 0.5000 0.5000 0.0238 ( 3576 PWs) bands (ev): -15.6942 -15.6942 -15.6942 -15.6942 -5.1838 -5.1838 -5.1838 -5.1838 -5.0779 -5.0779 -5.0779 -5.0779 -3.0895 -3.0895 -3.0895 -3.0895 -2.8878 -2.8878 -2.8878 -2.8878 -2.8672 -2.8672 -2.8672 -2.8672 1.7213 1.7213 1.7213 1.7213 2.0724 2.0724 2.0724 2.0724 2.6899 2.6899 2.6899 2.6899 4.0097 4.0097 4.0097 4.0097 9.0476 9.0476 9.0476 9.0476 11.1914 11.1914 11.1914 11.1914 k = 0.5000 0.5000 0.0356 ( 3576 PWs) bands (ev): -15.6941 -15.6941 -15.6941 -15.6941 -5.1837 -5.1837 -5.1837 -5.1837 -5.0782 -5.0782 -5.0782 -5.0782 -3.0894 -3.0894 -3.0894 -3.0894 -2.8895 -2.8895 -2.8895 -2.8895 -2.8663 -2.8663 -2.8663 -2.8663 1.7234 1.7234 1.7234 1.7234 2.0684 2.0684 2.0684 2.0684 2.6886 2.6886 2.6886 2.6886 4.0195 4.0195 4.0195 4.0195 9.0442 9.0442 9.0442 9.0442 11.1872 11.1872 11.1872 11.1872 k = 0.5000 0.5000 0.0475 ( 3576 PWs) bands (ev): -15.6941 -15.6941 -15.6941 -15.6941 -5.1836 -5.1836 -5.1836 -5.1836 -5.0786 -5.0786 -5.0786 -5.0786 -3.0892 -3.0892 -3.0892 -3.0892 -2.8917 -2.8917 -2.8917 -2.8917 -2.8652 -2.8652 -2.8652 -2.8652 1.7262 1.7262 1.7262 1.7262 2.0630 2.0630 2.0630 2.0630 2.6868 2.6868 2.6868 2.6868 4.0329 4.0329 4.0329 4.0329 9.0394 9.0394 9.0394 9.0394 11.1815 11.1815 11.1815 11.1815 k = 0.5000 0.5000 0.0594 ( 3576 PWs) bands (ev): -15.6941 -15.6941 -15.6941 -15.6941 -5.1834 -5.1834 -5.1834 -5.1834 -5.0791 -5.0791 -5.0791 -5.0791 -3.0890 -3.0890 -3.0890 -3.0890 -2.8942 -2.8942 -2.8942 -2.8942 -2.8640 -2.8640 -2.8640 -2.8640 1.7298 1.7298 1.7298 1.7298 2.0563 2.0563 2.0563 2.0563 2.6846 2.6846 2.6846 2.6846 4.0497 4.0497 4.0497 4.0497 9.0334 9.0334 9.0334 9.0334 11.1743 11.1743 11.1743 11.1743 k = 0.5000 0.5000 0.0713 ( 3568 PWs) bands (ev): -15.6940 -15.6940 -15.6940 -15.6940 -5.1831 -5.1831 -5.1831 -5.1831 -5.0796 -5.0796 -5.0796 -5.0796 -3.0888 -3.0888 -3.0888 -3.0888 -2.8971 -2.8971 -2.8971 -2.8971 -2.8627 -2.8627 -2.8627 -2.8627 1.7341 1.7341 1.7341 1.7341 2.0484 2.0484 2.0484 2.0484 2.6818 2.6818 2.6818 2.6818 4.0697 4.0697 4.0697 4.0697 9.0263 9.0263 9.0263 9.0263 11.1656 11.1656 11.1656 11.1656 k = 0.5000 0.5000 0.0832 ( 3568 PWs) bands (ev): -15.6939 -15.6939 -15.6939 -15.6939 -5.1829 -5.1829 -5.1829 -5.1829 -5.0803 -5.0803 -5.0803 -5.0803 -3.0885 -3.0885 -3.0885 -3.0885 -2.9002 -2.9002 -2.9002 -2.9002 -2.8615 -2.8615 -2.8615 -2.8615 1.7390 1.7390 1.7390 1.7390 2.0396 2.0396 2.0396 2.0396 2.6787 2.6787 2.6787 2.6787 4.0925 4.0925 4.0925 4.0925 9.0181 9.0181 9.0181 9.0181 11.1558 11.1558 11.1558 11.1558 k = 0.5000 0.5000 0.0950 ( 3560 PWs) bands (ev): -15.6938 -15.6938 -15.6938 -15.6938 -5.1825 -5.1825 -5.1825 -5.1825 -5.0810 -5.0810 -5.0810 -5.0810 -3.0881 -3.0881 -3.0881 -3.0881 -2.9035 -2.9035 -2.9035 -2.9035 -2.8603 -2.8603 -2.8603 -2.8603 1.7445 1.7445 1.7445 1.7445 2.0300 2.0300 2.0300 2.0300 2.6751 2.6751 2.6751 2.6751 4.1178 4.1178 4.1178 4.1178 9.0090 9.0090 9.0090 9.0090 11.1448 11.1448 11.1448 11.1448 k = 0.5000 0.5000 0.1069 ( 3560 PWs) bands (ev): -15.6938 -15.6938 -15.6938 -15.6938 -5.1822 -5.1822 -5.1822 -5.1822 -5.0818 -5.0818 -5.0818 -5.0818 -3.0877 -3.0877 -3.0877 -3.0877 -2.9069 -2.9069 -2.9069 -2.9069 -2.8592 -2.8592 -2.8592 -2.8592 1.7505 1.7505 1.7505 1.7505 2.0198 2.0198 2.0198 2.0198 2.6712 2.6712 2.6712 2.6712 4.1452 4.1452 4.1452 4.1452 8.9990 8.9990 8.9990 8.9990 11.1329 11.1329 11.1329 11.1329 k = 0.5000 0.5000 0.1188 ( 3536 PWs) bands (ev): -15.6937 -15.6937 -15.6937 -15.6937 -5.1818 -5.1818 -5.1818 -5.1818 -5.0825 -5.0825 -5.0825 -5.0825 -3.0872 -3.0872 -3.0872 -3.0872 -2.9105 -2.9105 -2.9105 -2.9105 -2.8581 -2.8581 -2.8581 -2.8581 1.7569 1.7569 1.7569 1.7569 2.0092 2.0092 2.0093 2.0093 2.6669 2.6669 2.6669 2.6669 4.1744 4.1744 4.1744 4.1744 8.9884 8.9884 8.9884 8.9884 11.1201 11.1201 11.1201 11.1201 k = 0.5000 0.5000 0.1307 ( 3536 PWs) bands (ev): -15.6936 -15.6936 -15.6936 -15.6936 -5.1814 -5.1814 -5.1814 -5.1814 -5.0834 -5.0834 -5.0834 -5.0834 -3.0867 -3.0867 -3.0867 -3.0867 -2.9142 -2.9142 -2.9142 -2.9142 -2.8570 -2.8570 -2.8570 -2.8570 1.7637 1.7637 1.7637 1.7637 1.9985 1.9985 1.9985 1.9985 2.6624 2.6624 2.6624 2.6624 4.2047 4.2047 4.2047 4.2047 8.9773 8.9773 8.9773 8.9773 11.1067 11.1067 11.1067 11.1067 k = 0.5000 0.5000 0.1426 ( 3536 PWs) bands (ev): -15.6935 -15.6935 -15.6935 -15.6935 -5.1810 -5.1810 -5.1810 -5.1810 -5.0844 -5.0844 -5.0844 -5.0844 -3.0861 -3.0861 -3.0861 -3.0861 -2.9180 -2.9180 -2.9180 -2.9180 -2.8560 -2.8560 -2.8560 -2.8560 1.7706 1.7706 1.7706 1.7706 1.9878 1.9878 1.9878 1.9878 2.6577 2.6577 2.6577 2.6577 4.2359 4.2359 4.2359 4.2359 8.9658 8.9658 8.9658 8.9658 11.0927 11.0927 11.0927 11.0927 k = 0.5000 0.5000 0.1544 ( 3552 PWs) bands (ev): -15.6934 -15.6934 -15.6934 -15.6934 -5.1807 -5.1807 -5.1807 -5.1807 -5.0853 -5.0853 -5.0853 -5.0853 -3.0855 -3.0855 -3.0855 -3.0855 -2.9218 -2.9218 -2.9218 -2.9218 -2.8551 -2.8551 -2.8551 -2.8551 1.7776 1.7776 1.7776 1.7776 1.9773 1.9773 1.9773 1.9773 2.6528 2.6528 2.6528 2.6528 4.2675 4.2675 4.2675 4.2675 8.9541 8.9541 8.9541 8.9541 11.0784 11.0784 11.0784 11.0784 k = 0.5000 0.5000 0.1663 ( 3548 PWs) bands (ev): -15.6933 -15.6933 -15.6933 -15.6933 -5.1803 -5.1803 -5.1803 -5.1803 -5.0863 -5.0863 -5.0863 -5.0863 -3.0848 -3.0848 -3.0848 -3.0848 -2.9256 -2.9256 -2.9256 -2.9256 -2.8543 -2.8543 -2.8543 -2.8543 1.7845 1.7845 1.7845 1.7845 1.9671 1.9671 1.9671 1.9671 2.6478 2.6478 2.6478 2.6478 4.2990 4.2990 4.2990 4.2990 8.9424 8.9424 8.9424 8.9424 11.0638 11.0638 11.0638 11.0638 k = 0.5000 0.5000 0.1782 ( 3540 PWs) bands (ev): -15.6932 -15.6932 -15.6932 -15.6932 -5.1798 -5.1798 -5.1798 -5.1798 -5.0872 -5.0872 -5.0872 -5.0872 -3.0840 -3.0840 -3.0840 -3.0840 -2.9293 -2.9293 -2.9293 -2.9293 -2.8535 -2.8535 -2.8535 -2.8535 1.7913 1.7913 1.7913 1.7913 1.9576 1.9576 1.9576 1.9576 2.6428 2.6428 2.6428 2.6428 4.3301 4.3301 4.3301 4.3301 8.9309 8.9309 8.9309 8.9309 11.0493 11.0493 11.0493 11.0493 k = 0.5000 0.5000 0.1901 ( 3552 PWs) bands (ev): -15.6932 -15.6932 -15.6932 -15.6932 -5.1795 -5.1795 -5.1795 -5.1795 -5.0881 -5.0881 -5.0881 -5.0881 -3.0832 -3.0832 -3.0832 -3.0832 -2.9330 -2.9330 -2.9330 -2.9330 -2.8527 -2.8527 -2.8527 -2.8527 1.7977 1.7977 1.7977 1.7977 1.9488 1.9488 1.9488 1.9488 2.6378 2.6378 2.6378 2.6378 4.3602 4.3602 4.3602 4.3602 8.9197 8.9197 8.9197 8.9197 11.0348 11.0348 11.0348 11.0348 k = 0.5000 0.5000 0.2020 ( 3548 PWs) bands (ev): -15.6931 -15.6931 -15.6931 -15.6931 -5.1791 -5.1791 -5.1791 -5.1791 -5.0890 -5.0890 -5.0890 -5.0890 -3.0824 -3.0824 -3.0824 -3.0824 -2.9365 -2.9365 -2.9365 -2.9365 -2.8521 -2.8521 -2.8521 -2.8521 1.8036 1.8036 1.8036 1.8036 1.9408 1.9408 1.9408 1.9408 2.6330 2.6330 2.6330 2.6330 4.3889 4.3889 4.3889 4.3889 8.9089 8.9089 8.9089 8.9089 11.0207 11.0207 11.0207 11.0207 k = 0.5000 0.5000 0.2139 ( 3548 PWs) bands (ev): -15.6930 -15.6930 -15.6930 -15.6930 -5.1787 -5.1787 -5.1787 -5.1787 -5.0899 -5.0899 -5.0899 -5.0899 -3.0816 -3.0816 -3.0816 -3.0816 -2.9398 -2.9398 -2.9398 -2.9398 -2.8514 -2.8514 -2.8514 -2.8514 1.8089 1.8089 1.8089 1.8089 1.9338 1.9338 1.9338 1.9338 2.6284 2.6284 2.6284 2.6284 4.4159 4.4159 4.4159 4.4159 8.8988 8.8988 8.8988 8.8988 11.0071 11.0071 11.0071 11.0071 k = 0.5000 0.5000 0.2257 ( 3548 PWs) bands (ev): -15.6929 -15.6929 -15.6929 -15.6929 -5.1784 -5.1784 -5.1784 -5.1784 -5.0906 -5.0906 -5.0906 -5.0906 -3.0808 -3.0808 -3.0808 -3.0808 -2.9429 -2.9429 -2.9429 -2.9429 -2.8509 -2.8509 -2.8509 -2.8509 1.8135 1.8135 1.8135 1.8135 1.9279 1.9279 1.9279 1.9279 2.6241 2.6241 2.6241 2.6241 4.4407 4.4407 4.4407 4.4407 8.8895 8.8895 8.8895 8.8895 10.9943 10.9943 10.9943 10.9943 k = 0.5000 0.5000 0.2376 ( 3564 PWs) bands (ev): -15.6929 -15.6929 -15.6929 -15.6929 -5.1781 -5.1781 -5.1781 -5.1781 -5.0914 -5.0914 -5.0914 -5.0914 -3.0801 -3.0801 -3.0801 -3.0801 -2.9458 -2.9458 -2.9458 -2.9458 -2.8505 -2.8505 -2.8505 -2.8505 1.8172 1.8172 1.8172 1.8172 1.9231 1.9231 1.9231 1.9231 2.6202 2.6202 2.6202 2.6202 4.4630 4.4630 4.4630 4.4630 8.8811 8.8811 8.8811 8.8811 10.9825 10.9825 10.9825 10.9825 k = 0.5000 0.5000 0.2495 ( 3572 PWs) bands (ev): -15.6928 -15.6928 -15.6928 -15.6928 -5.1778 -5.1778 -5.1778 -5.1778 -5.0920 -5.0920 -5.0920 -5.0920 -3.0794 -3.0794 -3.0794 -3.0794 -2.9483 -2.9483 -2.9483 -2.9483 -2.8501 -2.8501 -2.8501 -2.8501 1.8202 1.8202 1.8202 1.8202 1.9194 1.9194 1.9194 1.9194 2.6167 2.6167 2.6167 2.6167 4.4825 4.4825 4.4825 4.4825 8.8738 8.8738 8.8738 8.8738 10.9720 10.9720 10.9720 10.9720 k = 0.5000 0.5000 0.2614 ( 3556 PWs) bands (ev): -15.6928 -15.6928 -15.6928 -15.6928 -5.1776 -5.1776 -5.1776 -5.1776 -5.0925 -5.0925 -5.0925 -5.0925 -3.0787 -3.0787 -3.0787 -3.0787 -2.9504 -2.9504 -2.9504 -2.9504 -2.8497 -2.8497 -2.8497 -2.8497 1.8223 1.8223 1.8223 1.8223 1.9167 1.9167 1.9167 1.9167 2.6137 2.6137 2.6137 2.6137 4.4988 4.4988 4.4988 4.4988 8.8677 8.8677 8.8677 8.8677 10.9630 10.9630 10.9630 10.9630 k = 0.5000 0.5000 0.2733 ( 3560 PWs) bands (ev): -15.6927 -15.6927 -15.6927 -15.6927 -5.1774 -5.1774 -5.1774 -5.1774 -5.0929 -5.0929 -5.0929 -5.0929 -3.0782 -3.0782 -3.0782 -3.0782 -2.9521 -2.9521 -2.9521 -2.9521 -2.8494 -2.8494 -2.8494 -2.8494 1.8238 1.8238 1.8238 1.8238 1.9148 1.9148 1.9148 1.9148 2.6113 2.6113 2.6113 2.6113 4.5118 4.5118 4.5118 4.5118 8.8628 8.8628 8.8628 8.8628 10.9558 10.9558 10.9558 10.9558 k = 0.5000 0.5000 0.2851 ( 3560 PWs) bands (ev): -15.6927 -15.6927 -15.6927 -15.6927 -5.1772 -5.1772 -5.1772 -5.1772 -5.0932 -5.0932 -5.0932 -5.0932 -3.0778 -3.0778 -3.0778 -3.0778 -2.9533 -2.9533 -2.9533 -2.9533 -2.8493 -2.8493 -2.8493 -2.8493 1.8248 1.8248 1.8248 1.8248 1.9136 1.9136 1.9136 1.9136 2.6096 2.6096 2.6096 2.6096 4.5212 4.5212 4.5212 4.5212 8.8592 8.8592 8.8592 8.8592 10.9504 10.9504 10.9504 10.9504 k = 0.5000 0.5000 0.2970 ( 3544 PWs) bands (ev): -15.6927 -15.6927 -15.6927 -15.6927 -5.1771 -5.1771 -5.1771 -5.1771 -5.0934 -5.0934 -5.0934 -5.0934 -3.0776 -3.0776 -3.0776 -3.0776 -2.9540 -2.9540 -2.9540 -2.9540 -2.8491 -2.8491 -2.8491 -2.8491 1.8253 1.8253 1.8253 1.8253 1.9130 1.9130 1.9130 1.9130 2.6086 2.6086 2.6086 2.6086 4.5270 4.5270 4.5270 4.5270 8.8571 8.8571 8.8571 8.8571 10.9472 10.9472 10.9472 10.9472 k = 0.5000 0.5000 0.3089 ( 3560 PWs) bands (ev): -15.6927 -15.6927 -15.6927 -15.6927 -5.1771 -5.1771 -5.1771 -5.1771 -5.0935 -5.0935 -5.0935 -5.0935 -3.0775 -3.0775 -3.0775 -3.0775 -2.9543 -2.9543 -2.9543 -2.9543 -2.8491 -2.8491 -2.8491 -2.8491 1.8254 1.8254 1.8254 1.8254 1.9128 1.9128 1.9128 1.9128 2.6082 2.6082 2.6082 2.6082 4.5289 4.5289 4.5289 4.5289 8.8564 8.8564 8.8564 8.8564 10.9461 10.9461 10.9461 10.9461 Writing output data file TlF.save init_run : 0.18s CPU 0.33s WALL ( 1 calls) electrons : 95.92s CPU 97.92s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.03s WALL ( 1 calls) potinit : 0.01s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 95.92s CPU 97.90s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.03s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.04s WALL ( 373 calls) cegterg : 87.10s CPU 88.47s WALL ( 375 calls) Called by sum_band: Called by *egterg: h_psi : 49.89s CPU 51.01s WALL ( 6328 calls) s_psi : 3.70s CPU 3.71s WALL ( 6328 calls) g_psi : 0.22s CPU 0.15s WALL ( 5580 calls) cdiaghg : 30.55s CPU 30.98s WALL ( 5953 calls) cegterg:over : 3.76s CPU 3.73s WALL ( 5580 calls) cegterg:upda : 2.54s CPU 2.59s WALL ( 5580 calls) cegterg:last : 1.88s CPU 2.00s WALL ( 1121 calls) cdiaghg:chol : 1.77s CPU 1.68s WALL ( 5953 calls) cdiaghg:inve : 0.88s CPU 0.99s WALL ( 5953 calls) cdiaghg:para : 1.91s CPU 1.88s WALL ( 11906 calls) Called by h_psi: h_psi:vloc : 44.26s CPU 45.28s WALL ( 6328 calls) h_psi:vnl : 5.50s CPU 5.59s WALL ( 6328 calls) add_vuspsi : 2.65s CPU 2.77s WALL ( 6328 calls) General routines calbec : 2.84s CPU 2.80s WALL ( 6328 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 41.51s CPU 42.51s WALL ( 649620 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.21s CPU 0.20s WALL ( 746 calls) Parallel routines fft_scatter : 16.60s CPU 16.94s WALL ( 649643 calls) PWSCF : 1m51.44s CPU 2m 5.32s WALL This run was terminated on: 18:30: 1 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=