Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 20:36: 2 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: ./CaFeAsF.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per 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 23 6 2145 1067 168 Max 38 24 7 2155 1089 179 Sum 1313 829 241 77377 38795 6263 bravais-lattice index = 14 lattice parameter (alat) = 7.1987 a.u. unit-cell volume = 811.7878 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 4 number of electrons = 60.00 number of Kohn-Sham states= 72 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)= 7.198673 celldm(2)= 1.000000 celldm(3)= 2.176132 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 2.176132 ) 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 0.459531 ) PseudoPot. # 1 for As read from file: /users/gautes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1209 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Fe read from file: /users/gautes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 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. # 3 for Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 4 for F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential As 5.00 74.92160 As( 1.00) Fe 8.00 55.84500 Fe( 1.00) Ca 10.00 40.07800 Ca( 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= 352 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 2) = ( 0.0000000 0.0119048 -0.0000000), wk = 0.0028409 k( 3) = ( 0.0000000 0.0238095 -0.0000000), wk = 0.0028409 k( 4) = ( 0.0000000 0.0357143 -0.0000000), wk = 0.0028409 k( 5) = ( 0.0000000 0.0476191 -0.0000000), wk = 0.0028409 k( 6) = ( 0.0000000 0.0595238 -0.0000000), wk = 0.0028409 k( 7) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0028409 k( 8) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0028409 k( 9) = ( 0.0000000 0.0952381 -0.0000000), wk = 0.0028409 k( 10) = ( 0.0000000 0.1071429 -0.0000000), wk = 0.0028409 k( 11) = ( 0.0000000 0.1190476 -0.0000000), wk = 0.0028409 k( 12) = ( 0.0000000 0.1309524 -0.0000000), wk = 0.0028409 k( 13) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0028409 k( 14) = ( 0.0000000 0.1547619 -0.0000000), wk = 0.0028409 k( 15) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0028409 k( 16) = ( 0.0000000 0.1785714 -0.0000000), wk = 0.0028409 k( 17) = ( 0.0000000 0.1904762 -0.0000000), wk = 0.0028409 k( 18) = ( 0.0000000 0.2023810 -0.0000000), wk = 0.0028409 k( 19) = ( 0.0000000 0.2142857 -0.0000000), wk = 0.0028409 k( 20) = ( 0.0000000 0.2261905 -0.0000000), wk = 0.0028409 k( 21) = ( 0.0000000 0.2380952 -0.0000000), wk = 0.0028409 k( 22) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0028409 k( 23) = ( 0.0000000 0.2619048 -0.0000000), wk = 0.0028409 k( 24) = ( 0.0000000 0.2738095 -0.0000000), wk = 0.0028409 k( 25) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0028409 k( 26) = ( 0.0000000 0.2976190 -0.0000000), wk = 0.0028409 k( 27) = ( 0.0000000 0.3095238 -0.0000000), wk = 0.0028409 k( 28) = ( 0.0000000 0.3214286 -0.0000000), wk = 0.0028409 k( 29) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0028409 k( 30) = ( 0.0000000 0.3452381 -0.0000000), wk = 0.0028409 k( 31) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0028409 k( 32) = ( 0.0000000 0.3690476 -0.0000000), wk = 0.0028409 k( 33) = ( 0.0000000 0.3809524 -0.0000000), wk = 0.0028409 k( 34) = ( 0.0000000 0.3928571 -0.0000000), wk = 0.0028409 k( 35) = ( 0.0000000 0.4047619 -0.0000000), wk = 0.0028409 k( 36) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0028409 k( 37) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0028409 k( 38) = ( 0.0000000 0.4404762 -0.0000000), wk = 0.0028409 k( 39) = ( 0.0000000 0.4523810 -0.0000000), wk = 0.0028409 k( 40) = ( 0.0000000 0.4642857 -0.0000000), wk = 0.0028409 k( 41) = ( 0.0000000 0.4761905 -0.0000000), wk = 0.0028409 k( 42) = ( 0.0000000 0.4880952 -0.0000000), wk = 0.0028409 k( 43) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028409 k( 44) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028409 k( 45) = ( 0.0119048 0.5000000 -0.0000000), wk = 0.0028409 k( 46) = ( 0.0238095 0.5000000 -0.0000000), wk = 0.0028409 k( 47) = ( 0.0357143 0.5000000 -0.0000000), wk = 0.0028409 k( 48) = ( 0.0476191 0.5000000 -0.0000000), wk = 0.0028409 k( 49) = ( 0.0595238 0.5000000 -0.0000000), wk = 0.0028409 k( 50) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0028409 k( 51) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0028409 k( 52) = ( 0.0952381 0.5000000 -0.0000000), wk = 0.0028409 k( 53) = ( 0.1071429 0.5000000 -0.0000000), wk = 0.0028409 k( 54) = ( 0.1190476 0.5000000 -0.0000000), wk = 0.0028409 k( 55) = ( 0.1309524 0.5000000 -0.0000000), wk = 0.0028409 k( 56) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0028409 k( 57) = ( 0.1547619 0.5000000 -0.0000000), wk = 0.0028409 k( 58) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0028409 k( 59) = ( 0.1785714 0.5000000 -0.0000000), wk = 0.0028409 k( 60) = ( 0.1904762 0.5000000 -0.0000000), wk = 0.0028409 k( 61) = ( 0.2023810 0.5000000 -0.0000000), wk = 0.0028409 k( 62) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0028409 k( 63) = ( 0.2261905 0.5000000 -0.0000000), wk = 0.0028409 k( 64) = ( 0.2380952 0.5000000 -0.0000000), wk = 0.0028409 k( 65) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0028409 k( 66) = ( 0.2619048 0.5000000 -0.0000000), wk = 0.0028409 k( 67) = ( 0.2738095 0.5000000 -0.0000000), wk = 0.0028409 k( 68) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0028409 k( 69) = ( 0.2976190 0.5000000 -0.0000000), wk = 0.0028409 k( 70) = ( 0.3095238 0.5000000 -0.0000000), wk = 0.0028409 k( 71) = ( 0.3214286 0.5000000 -0.0000000), wk = 0.0028409 k( 72) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0028409 k( 73) = ( 0.3452381 0.5000000 -0.0000000), wk = 0.0028409 k( 74) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0028409 k( 75) = ( 0.3690476 0.5000000 -0.0000000), wk = 0.0028409 k( 76) = ( 0.3809524 0.5000000 -0.0000000), wk = 0.0028409 k( 77) = ( 0.3928571 0.5000000 -0.0000000), wk = 0.0028409 k( 78) = ( 0.4047619 0.5000000 -0.0000000), wk = 0.0028409 k( 79) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0028409 k( 80) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0028409 k( 81) = ( 0.4404762 0.5000000 -0.0000000), wk = 0.0028409 k( 82) = ( 0.4523810 0.5000000 -0.0000000), wk = 0.0028409 k( 83) = ( 0.4642857 0.5000000 -0.0000000), wk = 0.0028409 k( 84) = ( 0.4761905 0.5000000 -0.0000000), wk = 0.0028409 k( 85) = ( 0.4880952 0.5000000 -0.0000000), wk = 0.0028409 k( 86) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028409 k( 87) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028409 k( 88) = ( 0.4915254 0.4915254 -0.0000000), wk = 0.0028409 k( 89) = ( 0.4830508 0.4830508 -0.0000000), wk = 0.0028409 k( 90) = ( 0.4745763 0.4745763 -0.0000000), wk = 0.0028409 k( 91) = ( 0.4661017 0.4661017 -0.0000000), wk = 0.0028409 k( 92) = ( 0.4576271 0.4576271 -0.0000000), wk = 0.0028409 k( 93) = ( 0.4491525 0.4491525 -0.0000000), wk = 0.0028409 k( 94) = ( 0.4406780 0.4406780 -0.0000000), wk = 0.0028409 k( 95) = ( 0.4322034 0.4322034 -0.0000000), wk = 0.0028409 k( 96) = ( 0.4237288 0.4237288 -0.0000000), wk = 0.0028409 k( 97) = ( 0.4152542 0.4152542 -0.0000000), wk = 0.0028409 k( 98) = ( 0.4067797 0.4067797 -0.0000000), wk = 0.0028409 k( 99) = ( 0.3983051 0.3983051 -0.0000000), wk = 0.0028409 k( 100) = ( 0.3898305 0.3898305 -0.0000000), wk = 0.0028409 k( 101) = ( 0.3813559 0.3813559 -0.0000000), wk = 0.0028409 k( 102) = ( 0.3728814 0.3728814 -0.0000000), wk = 0.0028409 k( 103) = ( 0.3644068 0.3644068 -0.0000000), wk = 0.0028409 k( 104) = ( 0.3559322 0.3559322 -0.0000000), wk = 0.0028409 k( 105) = ( 0.3474576 0.3474576 -0.0000000), wk = 0.0028409 k( 106) = ( 0.3389831 0.3389830 -0.0000000), wk = 0.0028409 k( 107) = ( 0.3305085 0.3305085 -0.0000000), wk = 0.0028409 k( 108) = ( 0.3220339 0.3220339 -0.0000000), wk = 0.0028409 k( 109) = ( 0.3135593 0.3135593 -0.0000000), wk = 0.0028409 k( 110) = ( 0.3050848 0.3050847 -0.0000000), wk = 0.0028409 k( 111) = ( 0.2966102 0.2966102 -0.0000000), wk = 0.0028409 k( 112) = ( 0.2881356 0.2881356 -0.0000000), wk = 0.0028409 k( 113) = ( 0.2796610 0.2796610 -0.0000000), wk = 0.0028409 k( 114) = ( 0.2711864 0.2711864 -0.0000000), wk = 0.0028409 k( 115) = ( 0.2627119 0.2627119 -0.0000000), wk = 0.0028409 k( 116) = ( 0.2542373 0.2542373 -0.0000000), wk = 0.0028409 k( 117) = ( 0.2457627 0.2457627 -0.0000000), wk = 0.0028409 k( 118) = ( 0.2372881 0.2372881 -0.0000000), wk = 0.0028409 k( 119) = ( 0.2288136 0.2288136 -0.0000000), wk = 0.0028409 k( 120) = ( 0.2203390 0.2203390 -0.0000000), wk = 0.0028409 k( 121) = ( 0.2118644 0.2118644 -0.0000000), wk = 0.0028409 k( 122) = ( 0.2033898 0.2033898 -0.0000000), wk = 0.0028409 k( 123) = ( 0.1949153 0.1949152 -0.0000000), wk = 0.0028409 k( 124) = ( 0.1864407 0.1864407 -0.0000000), wk = 0.0028409 k( 125) = ( 0.1779661 0.1779661 -0.0000000), wk = 0.0028409 k( 126) = ( 0.1694915 0.1694915 -0.0000000), wk = 0.0028409 k( 127) = ( 0.1610169 0.1610169 -0.0000000), wk = 0.0028409 k( 128) = ( 0.1525424 0.1525424 -0.0000000), wk = 0.0028409 k( 129) = ( 0.1440678 0.1440678 -0.0000000), wk = 0.0028409 k( 130) = ( 0.1355932 0.1355932 -0.0000000), wk = 0.0028409 k( 131) = ( 0.1271186 0.1271186 -0.0000000), wk = 0.0028409 k( 132) = ( 0.1186441 0.1186441 -0.0000000), wk = 0.0028409 k( 133) = ( 0.1101695 0.1101695 -0.0000000), wk = 0.0028409 k( 134) = ( 0.1016949 0.1016949 -0.0000000), wk = 0.0028409 k( 135) = ( 0.0932203 0.0932203 -0.0000000), wk = 0.0028409 k( 136) = ( 0.0847458 0.0847458 -0.0000000), wk = 0.0028409 k( 137) = ( 0.0762712 0.0762712 -0.0000000), wk = 0.0028409 k( 138) = ( 0.0677966 0.0677966 -0.0000000), wk = 0.0028409 k( 139) = ( 0.0593220 0.0593220 -0.0000000), wk = 0.0028409 k( 140) = ( 0.0508475 0.0508475 -0.0000000), wk = 0.0028409 k( 141) = ( 0.0423729 0.0423729 -0.0000000), wk = 0.0028409 k( 142) = ( 0.0338983 0.0338983 -0.0000000), wk = 0.0028409 k( 143) = ( 0.0254237 0.0254237 -0.0000000), wk = 0.0028409 k( 144) = ( 0.0169491 0.0169491 -0.0000000), wk = 0.0028409 k( 145) = ( 0.0084746 0.0084746 -0.0000000), wk = 0.0028409 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 148) = ( 0.0000000 0.0000000 0.0120929), wk = 0.0028409 k( 149) = ( 0.0000000 0.0000000 0.0241858), wk = 0.0028409 k( 150) = ( 0.0000000 0.0000000 0.0362788), wk = 0.0028409 k( 151) = ( 0.0000000 0.0000000 0.0483717), wk = 0.0028409 k( 152) = ( 0.0000000 0.0000000 0.0604646), wk = 0.0028409 k( 153) = ( 0.0000000 0.0000000 0.0725575), wk = 0.0028409 k( 154) = ( 0.0000000 0.0000000 0.0846504), wk = 0.0028409 k( 155) = ( 0.0000000 0.0000000 0.0967434), wk = 0.0028409 k( 156) = ( 0.0000000 0.0000000 0.1088363), wk = 0.0028409 k( 157) = ( 0.0000000 0.0000000 0.1209292), wk = 0.0028409 k( 158) = ( 0.0000000 0.0000000 0.1330221), wk = 0.0028409 k( 159) = ( 0.0000000 0.0000000 0.1451150), wk = 0.0028409 k( 160) = ( 0.0000000 0.0000000 0.1572080), wk = 0.0028409 k( 161) = ( 0.0000000 0.0000000 0.1693009), wk = 0.0028409 k( 162) = ( 0.0000000 0.0000000 0.1813938), wk = 0.0028409 k( 163) = ( 0.0000000 0.0000000 0.1934867), wk = 0.0028409 k( 164) = ( 0.0000000 0.0000000 0.2055796), wk = 0.0028409 k( 165) = ( 0.0000000 0.0000000 0.2176726), wk = 0.0028409 k( 166) = ( 0.0000000 0.0000000 0.2297655), wk = 0.0028409 k( 167) = ( 0.0000000 0.0000000 0.2297655), wk = 0.0028409 k( 168) = ( 0.0000000 0.0119048 0.2297655), wk = 0.0028409 k( 169) = ( 0.0000000 0.0238095 0.2297655), wk = 0.0028409 k( 170) = ( 0.0000000 0.0357143 0.2297655), wk = 0.0028409 k( 171) = ( 0.0000000 0.0476191 0.2297655), wk = 0.0028409 k( 172) = ( 0.0000000 0.0595238 0.2297655), wk = 0.0028409 k( 173) = ( 0.0000000 0.0714286 0.2297655), wk = 0.0028409 k( 174) = ( 0.0000000 0.0833333 0.2297655), wk = 0.0028409 k( 175) = ( 0.0000000 0.0952381 0.2297655), wk = 0.0028409 k( 176) = ( 0.0000000 0.1071429 0.2297655), wk = 0.0028409 k( 177) = ( 0.0000000 0.1190476 0.2297655), wk = 0.0028409 k( 178) = ( 0.0000000 0.1309524 0.2297655), wk = 0.0028409 k( 179) = ( 0.0000000 0.1428571 0.2297655), wk = 0.0028409 k( 180) = ( 0.0000000 0.1547619 0.2297655), wk = 0.0028409 k( 181) = ( 0.0000000 0.1666667 0.2297655), wk = 0.0028409 k( 182) = ( 0.0000000 0.1785714 0.2297655), wk = 0.0028409 k( 183) = ( 0.0000000 0.1904762 0.2297655), wk = 0.0028409 k( 184) = ( 0.0000000 0.2023810 0.2297655), wk = 0.0028409 k( 185) = ( 0.0000000 0.2142857 0.2297655), wk = 0.0028409 k( 186) = ( 0.0000000 0.2261905 0.2297655), wk = 0.0028409 k( 187) = ( 0.0000000 0.2380952 0.2297655), wk = 0.0028409 k( 188) = ( 0.0000000 0.2500000 0.2297655), wk = 0.0028409 k( 189) = ( 0.0000000 0.2619048 0.2297655), wk = 0.0028409 k( 190) = ( 0.0000000 0.2738095 0.2297655), wk = 0.0028409 k( 191) = ( 0.0000000 0.2857143 0.2297655), wk = 0.0028409 k( 192) = ( 0.0000000 0.2976190 0.2297655), wk = 0.0028409 k( 193) = ( 0.0000000 0.3095238 0.2297655), wk = 0.0028409 k( 194) = ( 0.0000000 0.3214286 0.2297655), wk = 0.0028409 k( 195) = ( 0.0000000 0.3333333 0.2297655), wk = 0.0028409 k( 196) = ( 0.0000000 0.3452381 0.2297655), wk = 0.0028409 k( 197) = ( 0.0000000 0.3571429 0.2297655), wk = 0.0028409 k( 198) = ( 0.0000000 0.3690476 0.2297655), wk = 0.0028409 k( 199) = ( 0.0000000 0.3809524 0.2297655), wk = 0.0028409 k( 200) = ( 0.0000000 0.3928571 0.2297655), wk = 0.0028409 k( 201) = ( 0.0000000 0.4047619 0.2297655), wk = 0.0028409 k( 202) = ( 0.0000000 0.4166667 0.2297655), wk = 0.0028409 k( 203) = ( 0.0000000 0.4285714 0.2297655), wk = 0.0028409 k( 204) = ( 0.0000000 0.4404762 0.2297655), wk = 0.0028409 k( 205) = ( 0.0000000 0.4523810 0.2297655), wk = 0.0028409 k( 206) = ( 0.0000000 0.4642857 0.2297655), wk = 0.0028409 k( 207) = ( 0.0000000 0.4761905 0.2297655), wk = 0.0028409 k( 208) = ( 0.0000000 0.4880952 0.2297655), wk = 0.0028409 k( 209) = ( 0.0000000 0.5000000 0.2297655), wk = 0.0028409 k( 210) = ( 0.0000000 0.5000000 0.2297655), wk = 0.0028409 k( 211) = ( 0.0119048 0.5000000 0.2297655), wk = 0.0028409 k( 212) = ( 0.0238095 0.5000000 0.2297655), wk = 0.0028409 k( 213) = ( 0.0357143 0.5000000 0.2297655), wk = 0.0028409 k( 214) = ( 0.0476191 0.5000000 0.2297655), wk = 0.0028409 k( 215) = ( 0.0595238 0.5000000 0.2297655), wk = 0.0028409 k( 216) = ( 0.0714286 0.5000000 0.2297655), wk = 0.0028409 k( 217) = ( 0.0833333 0.5000000 0.2297655), wk = 0.0028409 k( 218) = ( 0.0952381 0.5000000 0.2297655), wk = 0.0028409 k( 219) = ( 0.1071429 0.5000000 0.2297655), wk = 0.0028409 k( 220) = ( 0.1190476 0.5000000 0.2297655), wk = 0.0028409 k( 221) = ( 0.1309524 0.5000000 0.2297655), wk = 0.0028409 k( 222) = ( 0.1428571 0.5000000 0.2297655), wk = 0.0028409 k( 223) = ( 0.1547619 0.5000000 0.2297655), wk = 0.0028409 k( 224) = ( 0.1666667 0.5000000 0.2297655), wk = 0.0028409 k( 225) = ( 0.1785714 0.5000000 0.2297655), wk = 0.0028409 k( 226) = ( 0.1904762 0.5000000 0.2297655), wk = 0.0028409 k( 227) = ( 0.2023810 0.5000000 0.2297655), wk = 0.0028409 k( 228) = ( 0.2142857 0.5000000 0.2297655), wk = 0.0028409 k( 229) = ( 0.2261905 0.5000000 0.2297655), wk = 0.0028409 k( 230) = ( 0.2380952 0.5000000 0.2297655), wk = 0.0028409 k( 231) = ( 0.2500000 0.5000000 0.2297655), wk = 0.0028409 k( 232) = ( 0.2619048 0.5000000 0.2297655), wk = 0.0028409 k( 233) = ( 0.2738095 0.5000000 0.2297655), wk = 0.0028409 k( 234) = ( 0.2857143 0.5000000 0.2297655), wk = 0.0028409 k( 235) = ( 0.2976190 0.5000000 0.2297655), wk = 0.0028409 k( 236) = ( 0.3095238 0.5000000 0.2297655), wk = 0.0028409 k( 237) = ( 0.3214286 0.5000000 0.2297655), wk = 0.0028409 k( 238) = ( 0.3333333 0.5000000 0.2297655), wk = 0.0028409 k( 239) = ( 0.3452381 0.5000000 0.2297655), wk = 0.0028409 k( 240) = ( 0.3571429 0.5000000 0.2297655), wk = 0.0028409 k( 241) = ( 0.3690476 0.5000000 0.2297655), wk = 0.0028409 k( 242) = ( 0.3809524 0.5000000 0.2297655), wk = 0.0028409 k( 243) = ( 0.3928571 0.5000000 0.2297655), wk = 0.0028409 k( 244) = ( 0.4047619 0.5000000 0.2297655), wk = 0.0028409 k( 245) = ( 0.4166667 0.5000000 0.2297655), wk = 0.0028409 k( 246) = ( 0.4285714 0.5000000 0.2297655), wk = 0.0028409 k( 247) = ( 0.4404762 0.5000000 0.2297655), wk = 0.0028409 k( 248) = ( 0.4523810 0.5000000 0.2297655), wk = 0.0028409 k( 249) = ( 0.4642857 0.5000000 0.2297655), wk = 0.0028409 k( 250) = ( 0.4761905 0.5000000 0.2297655), wk = 0.0028409 k( 251) = ( 0.4880952 0.5000000 0.2297655), wk = 0.0028409 k( 252) = ( 0.5000000 0.5000000 0.2297655), wk = 0.0028409 k( 253) = ( 0.5000000 0.5000000 0.2297655), wk = 0.0028409 k( 254) = ( 0.4915254 0.4915254 0.2297655), wk = 0.0028409 k( 255) = ( 0.4830508 0.4830508 0.2297655), wk = 0.0028409 k( 256) = ( 0.4745763 0.4745763 0.2297655), wk = 0.0028409 k( 257) = ( 0.4661017 0.4661017 0.2297655), wk = 0.0028409 k( 258) = ( 0.4576271 0.4576271 0.2297655), wk = 0.0028409 k( 259) = ( 0.4491525 0.4491525 0.2297655), wk = 0.0028409 k( 260) = ( 0.4406780 0.4406780 0.2297655), wk = 0.0028409 k( 261) = ( 0.4322034 0.4322034 0.2297655), wk = 0.0028409 k( 262) = ( 0.4237288 0.4237288 0.2297655), wk = 0.0028409 k( 263) = ( 0.4152542 0.4152542 0.2297655), wk = 0.0028409 k( 264) = ( 0.4067797 0.4067797 0.2297655), wk = 0.0028409 k( 265) = ( 0.3983051 0.3983051 0.2297655), wk = 0.0028409 k( 266) = ( 0.3898305 0.3898305 0.2297655), wk = 0.0028409 k( 267) = ( 0.3813559 0.3813559 0.2297655), wk = 0.0028409 k( 268) = ( 0.3728814 0.3728814 0.2297655), wk = 0.0028409 k( 269) = ( 0.3644068 0.3644068 0.2297655), wk = 0.0028409 k( 270) = ( 0.3559322 0.3559322 0.2297655), wk = 0.0028409 k( 271) = ( 0.3474576 0.3474576 0.2297655), wk = 0.0028409 k( 272) = ( 0.3389831 0.3389830 0.2297655), wk = 0.0028409 k( 273) = ( 0.3305085 0.3305085 0.2297655), wk = 0.0028409 k( 274) = ( 0.3220339 0.3220339 0.2297655), wk = 0.0028409 k( 275) = ( 0.3135593 0.3135593 0.2297655), wk = 0.0028409 k( 276) = ( 0.3050848 0.3050847 0.2297655), wk = 0.0028409 k( 277) = ( 0.2966102 0.2966102 0.2297655), wk = 0.0028409 k( 278) = ( 0.2881356 0.2881356 0.2297655), wk = 0.0028409 k( 279) = ( 0.2796610 0.2796610 0.2297655), wk = 0.0028409 k( 280) = ( 0.2711864 0.2711864 0.2297655), wk = 0.0028409 k( 281) = ( 0.2627119 0.2627119 0.2297655), wk = 0.0028409 k( 282) = ( 0.2542373 0.2542373 0.2297655), wk = 0.0028409 k( 283) = ( 0.2457627 0.2457627 0.2297655), wk = 0.0028409 k( 284) = ( 0.2372881 0.2372881 0.2297655), wk = 0.0028409 k( 285) = ( 0.2288136 0.2288136 0.2297655), wk = 0.0028409 k( 286) = ( 0.2203390 0.2203390 0.2297655), wk = 0.0028409 k( 287) = ( 0.2118644 0.2118644 0.2297655), wk = 0.0028409 k( 288) = ( 0.2033898 0.2033898 0.2297655), wk = 0.0028409 k( 289) = ( 0.1949153 0.1949152 0.2297655), wk = 0.0028409 k( 290) = ( 0.1864407 0.1864407 0.2297655), wk = 0.0028409 k( 291) = ( 0.1779661 0.1779661 0.2297655), wk = 0.0028409 k( 292) = ( 0.1694915 0.1694915 0.2297655), wk = 0.0028409 k( 293) = ( 0.1610169 0.1610169 0.2297655), wk = 0.0028409 k( 294) = ( 0.1525424 0.1525424 0.2297655), wk = 0.0028409 k( 295) = ( 0.1440678 0.1440678 0.2297655), wk = 0.0028409 k( 296) = ( 0.1355932 0.1355932 0.2297655), wk = 0.0028409 k( 297) = ( 0.1271186 0.1271186 0.2297655), wk = 0.0028409 k( 298) = ( 0.1186441 0.1186441 0.2297655), wk = 0.0028409 k( 299) = ( 0.1101695 0.1101695 0.2297655), wk = 0.0028409 k( 300) = ( 0.1016949 0.1016949 0.2297655), wk = 0.0028409 k( 301) = ( 0.0932203 0.0932203 0.2297655), wk = 0.0028409 k( 302) = ( 0.0847458 0.0847458 0.2297655), wk = 0.0028409 k( 303) = ( 0.0762712 0.0762712 0.2297655), wk = 0.0028409 k( 304) = ( 0.0677966 0.0677966 0.2297655), wk = 0.0028409 k( 305) = ( 0.0593220 0.0593220 0.2297655), wk = 0.0028409 k( 306) = ( 0.0508475 0.0508475 0.2297655), wk = 0.0028409 k( 307) = ( 0.0423729 0.0423729 0.2297655), wk = 0.0028409 k( 308) = ( 0.0338983 0.0338983 0.2297655), wk = 0.0028409 k( 309) = ( 0.0254237 0.0254237 0.2297655), wk = 0.0028409 k( 310) = ( 0.0169491 0.0169491 0.2297655), wk = 0.0028409 k( 311) = ( 0.0084746 0.0084746 0.2297655), wk = 0.0028409 k( 312) = ( 0.0000000 0.0000000 0.2297655), wk = 0.0028409 k( 313) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028409 k( 314) = ( 0.0000000 0.5000000 0.0120929), wk = 0.0028409 k( 315) = ( 0.0000000 0.5000000 0.0241858), wk = 0.0028409 k( 316) = ( 0.0000000 0.5000000 0.0362788), wk = 0.0028409 k( 317) = ( 0.0000000 0.5000000 0.0483717), wk = 0.0028409 k( 318) = ( 0.0000000 0.5000000 0.0604646), wk = 0.0028409 k( 319) = ( 0.0000000 0.5000000 0.0725575), wk = 0.0028409 k( 320) = ( 0.0000000 0.5000000 0.0846504), wk = 0.0028409 k( 321) = ( 0.0000000 0.5000000 0.0967434), wk = 0.0028409 k( 322) = ( 0.0000000 0.5000000 0.1088363), wk = 0.0028409 k( 323) = ( 0.0000000 0.5000000 0.1209292), wk = 0.0028409 k( 324) = ( 0.0000000 0.5000000 0.1330221), wk = 0.0028409 k( 325) = ( 0.0000000 0.5000000 0.1451150), wk = 0.0028409 k( 326) = ( 0.0000000 0.5000000 0.1572080), wk = 0.0028409 k( 327) = ( 0.0000000 0.5000000 0.1693009), wk = 0.0028409 k( 328) = ( 0.0000000 0.5000000 0.1813938), wk = 0.0028409 k( 329) = ( 0.0000000 0.5000000 0.1934867), wk = 0.0028409 k( 330) = ( 0.0000000 0.5000000 0.2055796), wk = 0.0028409 k( 331) = ( 0.0000000 0.5000000 0.2176726), wk = 0.0028409 k( 332) = ( 0.0000000 0.5000000 0.2297655), wk = 0.0028409 k( 333) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028409 k( 334) = ( 0.5000000 0.5000000 0.0120929), wk = 0.0028409 k( 335) = ( 0.5000000 0.5000000 0.0241858), wk = 0.0028409 k( 336) = ( 0.5000000 0.5000000 0.0362788), wk = 0.0028409 k( 337) = ( 0.5000000 0.5000000 0.0483717), wk = 0.0028409 k( 338) = ( 0.5000000 0.5000000 0.0604646), wk = 0.0028409 k( 339) = ( 0.5000000 0.5000000 0.0725575), wk = 0.0028409 k( 340) = ( 0.5000000 0.5000000 0.0846504), wk = 0.0028409 k( 341) = ( 0.5000000 0.5000000 0.0967434), wk = 0.0028409 k( 342) = ( 0.5000000 0.5000000 0.1088363), wk = 0.0028409 k( 343) = ( 0.5000000 0.5000000 0.1209292), wk = 0.0028409 k( 344) = ( 0.5000000 0.5000000 0.1330221), wk = 0.0028409 k( 345) = ( 0.5000000 0.5000000 0.1451150), wk = 0.0028409 k( 346) = ( 0.5000000 0.5000000 0.1572080), wk = 0.0028409 k( 347) = ( 0.5000000 0.5000000 0.1693009), wk = 0.0028409 k( 348) = ( 0.5000000 0.5000000 0.1813938), wk = 0.0028409 k( 349) = ( 0.5000000 0.5000000 0.1934867), wk = 0.0028409 k( 350) = ( 0.5000000 0.5000000 0.2055796), wk = 0.0028409 k( 351) = ( 0.5000000 0.5000000 0.2176726), wk = 0.0028409 k( 352) = ( 0.5000000 0.5000000 0.2297655), wk = 0.0028409 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 2) = ( 0.0000000 0.0119048 -0.0000000), wk = 0.0028409 k( 3) = ( 0.0000000 0.0238095 -0.0000000), wk = 0.0028409 k( 4) = ( 0.0000000 0.0357143 0.0000000), wk = 0.0028409 k( 5) = ( 0.0000000 0.0476191 0.0000000), wk = 0.0028409 k( 6) = ( 0.0000000 0.0595238 0.0000000), wk = 0.0028409 k( 7) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0028409 k( 8) = ( 0.0000000 0.0833333 0.0000000), wk = 0.0028409 k( 9) = ( 0.0000000 0.0952381 0.0000000), wk = 0.0028409 k( 10) = ( 0.0000000 0.1071429 0.0000000), wk = 0.0028409 k( 11) = ( 0.0000000 0.1190476 0.0000000), wk = 0.0028409 k( 12) = ( 0.0000000 0.1309524 0.0000000), wk = 0.0028409 k( 13) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0028409 k( 14) = ( 0.0000000 0.1547619 0.0000000), wk = 0.0028409 k( 15) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0028409 k( 16) = ( 0.0000000 0.1785714 0.0000000), wk = 0.0028409 k( 17) = ( 0.0000000 0.1904762 0.0000000), wk = 0.0028409 k( 18) = ( 0.0000000 0.2023810 -0.0000000), wk = 0.0028409 k( 19) = ( 0.0000000 0.2142857 0.0000000), wk = 0.0028409 k( 20) = ( 0.0000000 0.2261905 -0.0000000), wk = 0.0028409 k( 21) = ( 0.0000000 0.2380952 0.0000000), wk = 0.0028409 k( 22) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0028409 k( 23) = ( 0.0000000 0.2619048 0.0000000), wk = 0.0028409 k( 24) = ( 0.0000000 0.2738095 -0.0000000), wk = 0.0028409 k( 25) = ( 0.0000000 0.2857143 0.0000000), wk = 0.0028409 k( 26) = ( 0.0000000 0.2976190 0.0000000), wk = 0.0028409 k( 27) = ( 0.0000000 0.3095238 0.0000000), wk = 0.0028409 k( 28) = ( 0.0000000 0.3214286 -0.0000000), wk = 0.0028409 k( 29) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0028409 k( 30) = ( 0.0000000 0.3452381 0.0000000), wk = 0.0028409 k( 31) = ( 0.0000000 0.3571429 0.0000000), wk = 0.0028409 k( 32) = ( 0.0000000 0.3690476 0.0000000), wk = 0.0028409 k( 33) = ( 0.0000000 0.3809524 0.0000000), wk = 0.0028409 k( 34) = ( 0.0000000 0.3928571 -0.0000000), wk = 0.0028409 k( 35) = ( 0.0000000 0.4047619 -0.0000000), wk = 0.0028409 k( 36) = ( 0.0000000 0.4166667 0.0000000), wk = 0.0028409 k( 37) = ( 0.0000000 0.4285714 0.0000000), wk = 0.0028409 k( 38) = ( 0.0000000 0.4404762 -0.0000000), wk = 0.0028409 k( 39) = ( 0.0000000 0.4523810 0.0000000), wk = 0.0028409 k( 40) = ( 0.0000000 0.4642857 0.0000000), wk = 0.0028409 k( 41) = ( 0.0000000 0.4761905 0.0000000), wk = 0.0028409 k( 42) = ( 0.0000000 0.4880952 0.0000000), wk = 0.0028409 k( 43) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028409 k( 44) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028409 k( 45) = ( 0.0119048 0.5000000 -0.0000000), wk = 0.0028409 k( 46) = ( 0.0238095 0.5000000 -0.0000000), wk = 0.0028409 k( 47) = ( 0.0357143 0.5000000 0.0000000), wk = 0.0028409 k( 48) = ( 0.0476191 0.5000000 0.0000000), wk = 0.0028409 k( 49) = ( 0.0595238 0.5000000 0.0000000), wk = 0.0028409 k( 50) = ( 0.0714286 0.5000000 0.0000000), wk = 0.0028409 k( 51) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0028409 k( 52) = ( 0.0952381 0.5000000 0.0000000), wk = 0.0028409 k( 53) = ( 0.1071429 0.5000000 0.0000000), wk = 0.0028409 k( 54) = ( 0.1190476 0.5000000 0.0000000), wk = 0.0028409 k( 55) = ( 0.1309524 0.5000000 0.0000000), wk = 0.0028409 k( 56) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0028409 k( 57) = ( 0.1547619 0.5000000 0.0000000), wk = 0.0028409 k( 58) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0028409 k( 59) = ( 0.1785714 0.5000000 -0.0000000), wk = 0.0028409 k( 60) = ( 0.1904762 0.5000000 0.0000000), wk = 0.0028409 k( 61) = ( 0.2023810 0.5000000 0.0000000), wk = 0.0028409 k( 62) = ( 0.2142857 0.5000000 0.0000000), wk = 0.0028409 k( 63) = ( 0.2261905 0.5000000 0.0000000), wk = 0.0028409 k( 64) = ( 0.2380952 0.5000000 -0.0000000), wk = 0.0028409 k( 65) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0028409 k( 66) = ( 0.2619048 0.5000000 0.0000000), wk = 0.0028409 k( 67) = ( 0.2738095 0.5000000 0.0000000), wk = 0.0028409 k( 68) = ( 0.2857143 0.5000000 0.0000000), wk = 0.0028409 k( 69) = ( 0.2976190 0.5000000 0.0000000), wk = 0.0028409 k( 70) = ( 0.3095238 0.5000000 -0.0000000), wk = 0.0028409 k( 71) = ( 0.3214286 0.5000000 0.0000000), wk = 0.0028409 k( 72) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0028409 k( 73) = ( 0.3452381 0.5000000 -0.0000000), wk = 0.0028409 k( 74) = ( 0.3571429 0.5000000 0.0000000), wk = 0.0028409 k( 75) = ( 0.3690476 0.5000000 -0.0000000), wk = 0.0028409 k( 76) = ( 0.3809524 0.5000000 -0.0000000), wk = 0.0028409 k( 77) = ( 0.3928571 0.5000000 0.0000000), wk = 0.0028409 k( 78) = ( 0.4047619 0.5000000 0.0000000), wk = 0.0028409 k( 79) = ( 0.4166667 0.5000000 0.0000000), wk = 0.0028409 k( 80) = ( 0.4285714 0.5000000 0.0000000), wk = 0.0028409 k( 81) = ( 0.4404762 0.5000000 -0.0000000), wk = 0.0028409 k( 82) = ( 0.4523810 0.5000000 -0.0000000), wk = 0.0028409 k( 83) = ( 0.4642857 0.5000000 0.0000000), wk = 0.0028409 k( 84) = ( 0.4761905 0.5000000 0.0000000), wk = 0.0028409 k( 85) = ( 0.4880952 0.5000000 0.0000000), wk = 0.0028409 k( 86) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028409 k( 87) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028409 k( 88) = ( 0.4915254 0.4915254 0.0000000), wk = 0.0028409 k( 89) = ( 0.4830508 0.4830508 0.0000000), wk = 0.0028409 k( 90) = ( 0.4745763 0.4745763 0.0000000), wk = 0.0028409 k( 91) = ( 0.4661017 0.4661017 0.0000000), wk = 0.0028409 k( 92) = ( 0.4576271 0.4576271 -0.0000000), wk = 0.0028409 k( 93) = ( 0.4491525 0.4491525 0.0000000), wk = 0.0028409 k( 94) = ( 0.4406780 0.4406780 0.0000000), wk = 0.0028409 k( 95) = ( 0.4322034 0.4322034 0.0000000), wk = 0.0028409 k( 96) = ( 0.4237288 0.4237288 -0.0000000), wk = 0.0028409 k( 97) = ( 0.4152542 0.4152542 0.0000000), wk = 0.0028409 k( 98) = ( 0.4067797 0.4067797 0.0000000), wk = 0.0028409 k( 99) = ( 0.3983051 0.3983051 -0.0000000), wk = 0.0028409 k( 100) = ( 0.3898305 0.3898305 0.0000000), wk = 0.0028409 k( 101) = ( 0.3813559 0.3813559 0.0000000), wk = 0.0028409 k( 102) = ( 0.3728814 0.3728814 0.0000000), wk = 0.0028409 k( 103) = ( 0.3644068 0.3644068 -0.0000000), wk = 0.0028409 k( 104) = ( 0.3559322 0.3559322 0.0000000), wk = 0.0028409 k( 105) = ( 0.3474576 0.3474576 -0.0000000), wk = 0.0028409 k( 106) = ( 0.3389831 0.3389831 0.0000000), wk = 0.0028409 k( 107) = ( 0.3305085 0.3305085 -0.0000000), wk = 0.0028409 k( 108) = ( 0.3220339 0.3220339 -0.0000000), wk = 0.0028409 k( 109) = ( 0.3135593 0.3135593 -0.0000000), wk = 0.0028409 k( 110) = ( 0.3050848 0.3050848 0.0000000), wk = 0.0028409 k( 111) = ( 0.2966102 0.2966102 -0.0000000), wk = 0.0028409 k( 112) = ( 0.2881356 0.2881356 -0.0000000), wk = 0.0028409 k( 113) = ( 0.2796610 0.2796610 0.0000000), wk = 0.0028409 k( 114) = ( 0.2711864 0.2711864 0.0000000), wk = 0.0028409 k( 115) = ( 0.2627119 0.2627119 0.0000000), wk = 0.0028409 k( 116) = ( 0.2542373 0.2542373 0.0000000), wk = 0.0028409 k( 117) = ( 0.2457627 0.2457627 0.0000000), wk = 0.0028409 k( 118) = ( 0.2372881 0.2372881 0.0000000), wk = 0.0028409 k( 119) = ( 0.2288136 0.2288136 -0.0000000), wk = 0.0028409 k( 120) = ( 0.2203390 0.2203390 0.0000000), wk = 0.0028409 k( 121) = ( 0.2118644 0.2118644 0.0000000), wk = 0.0028409 k( 122) = ( 0.2033898 0.2033898 0.0000000), wk = 0.0028409 k( 123) = ( 0.1949153 0.1949153 -0.0000000), wk = 0.0028409 k( 124) = ( 0.1864407 0.1864407 0.0000000), wk = 0.0028409 k( 125) = ( 0.1779661 0.1779661 0.0000000), wk = 0.0028409 k( 126) = ( 0.1694915 0.1694915 0.0000000), wk = 0.0028409 k( 127) = ( 0.1610169 0.1610169 -0.0000000), wk = 0.0028409 k( 128) = ( 0.1525424 0.1525424 0.0000000), wk = 0.0028409 k( 129) = ( 0.1440678 0.1440678 -0.0000000), wk = 0.0028409 k( 130) = ( 0.1355932 0.1355932 0.0000000), wk = 0.0028409 k( 131) = ( 0.1271186 0.1271186 0.0000000), wk = 0.0028409 k( 132) = ( 0.1186441 0.1186441 0.0000000), wk = 0.0028409 k( 133) = ( 0.1101695 0.1101695 0.0000000), wk = 0.0028409 k( 134) = ( 0.1016949 0.1016949 0.0000000), wk = 0.0028409 k( 135) = ( 0.0932203 0.0932203 0.0000000), wk = 0.0028409 k( 136) = ( 0.0847458 0.0847458 -0.0000000), wk = 0.0028409 k( 137) = ( 0.0762712 0.0762712 -0.0000000), wk = 0.0028409 k( 138) = ( 0.0677966 0.0677966 0.0000000), wk = 0.0028409 k( 139) = ( 0.0593220 0.0593220 0.0000000), wk = 0.0028409 k( 140) = ( 0.0508475 0.0508475 0.0000000), wk = 0.0028409 k( 141) = ( 0.0423729 0.0423729 -0.0000000), wk = 0.0028409 k( 142) = ( 0.0338983 0.0338983 0.0000000), wk = 0.0028409 k( 143) = ( 0.0254237 0.0254237 0.0000000), wk = 0.0028409 k( 144) = ( 0.0169491 0.0169491 0.0000000), wk = 0.0028409 k( 145) = ( 0.0084746 0.0084746 0.0000000), wk = 0.0028409 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 148) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0028409 k( 149) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0028409 k( 150) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0028409 k( 151) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0028409 k( 152) = ( 0.0000000 0.0000000 0.1315790), wk = 0.0028409 k( 153) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0028409 k( 154) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0028409 k( 155) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0028409 k( 156) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0028409 k( 157) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0028409 k( 158) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0028409 k( 159) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0028409 k( 160) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0028409 k( 161) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0028409 k( 162) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0028409 k( 163) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0028409 k( 164) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0028409 k( 165) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0028409 k( 166) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028409 k( 167) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028409 k( 168) = ( 0.0000000 0.0119048 0.5000000), wk = 0.0028409 k( 169) = ( 0.0000000 0.0238095 0.5000000), wk = 0.0028409 k( 170) = ( 0.0000000 0.0357143 0.5000000), wk = 0.0028409 k( 171) = ( 0.0000000 0.0476191 0.5000000), wk = 0.0028409 k( 172) = ( 0.0000000 0.0595238 0.5000000), wk = 0.0028409 k( 173) = ( 0.0000000 0.0714286 0.5000000), wk = 0.0028409 k( 174) = ( 0.0000000 0.0833333 0.5000000), wk = 0.0028409 k( 175) = ( 0.0000000 0.0952381 0.5000000), wk = 0.0028409 k( 176) = ( 0.0000000 0.1071429 0.5000000), wk = 0.0028409 k( 177) = ( 0.0000000 0.1190476 0.5000000), wk = 0.0028409 k( 178) = ( 0.0000000 0.1309524 0.5000000), wk = 0.0028409 k( 179) = ( 0.0000000 0.1428571 0.5000000), wk = 0.0028409 k( 180) = ( 0.0000000 0.1547619 0.5000000), wk = 0.0028409 k( 181) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0028409 k( 182) = ( 0.0000000 0.1785714 0.5000000), wk = 0.0028409 k( 183) = ( 0.0000000 0.1904762 0.5000000), wk = 0.0028409 k( 184) = ( 0.0000000 0.2023810 0.5000000), wk = 0.0028409 k( 185) = ( 0.0000000 0.2142857 0.5000000), wk = 0.0028409 k( 186) = ( 0.0000000 0.2261905 0.5000000), wk = 0.0028409 k( 187) = ( 0.0000000 0.2380952 0.5000000), wk = 0.0028409 k( 188) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0028409 k( 189) = ( 0.0000000 0.2619048 0.5000000), wk = 0.0028409 k( 190) = ( 0.0000000 0.2738095 0.5000000), wk = 0.0028409 k( 191) = ( 0.0000000 0.2857143 0.5000000), wk = 0.0028409 k( 192) = ( 0.0000000 0.2976190 0.5000000), wk = 0.0028409 k( 193) = ( 0.0000000 0.3095238 0.5000000), wk = 0.0028409 k( 194) = ( 0.0000000 0.3214286 0.5000000), wk = 0.0028409 k( 195) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0028409 k( 196) = ( 0.0000000 0.3452381 0.5000000), wk = 0.0028409 k( 197) = ( 0.0000000 0.3571429 0.5000000), wk = 0.0028409 k( 198) = ( 0.0000000 0.3690476 0.5000000), wk = 0.0028409 k( 199) = ( 0.0000000 0.3809524 0.5000000), wk = 0.0028409 k( 200) = ( 0.0000000 0.3928571 0.5000000), wk = 0.0028409 k( 201) = ( 0.0000000 0.4047619 0.5000000), wk = 0.0028409 k( 202) = ( 0.0000000 0.4166667 0.5000000), wk = 0.0028409 k( 203) = ( 0.0000000 0.4285714 0.5000000), wk = 0.0028409 k( 204) = ( 0.0000000 0.4404762 0.5000000), wk = 0.0028409 k( 205) = ( 0.0000000 0.4523810 0.5000000), wk = 0.0028409 k( 206) = ( 0.0000000 0.4642857 0.5000000), wk = 0.0028409 k( 207) = ( 0.0000000 0.4761905 0.5000000), wk = 0.0028409 k( 208) = ( 0.0000000 0.4880952 0.5000000), wk = 0.0028409 k( 209) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028409 k( 210) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028409 k( 211) = ( 0.0119048 0.5000000 0.5000000), wk = 0.0028409 k( 212) = ( 0.0238095 0.5000000 0.5000000), wk = 0.0028409 k( 213) = ( 0.0357143 0.5000000 0.5000000), wk = 0.0028409 k( 214) = ( 0.0476191 0.5000000 0.5000000), wk = 0.0028409 k( 215) = ( 0.0595238 0.5000000 0.5000000), wk = 0.0028409 k( 216) = ( 0.0714286 0.5000000 0.5000000), wk = 0.0028409 k( 217) = ( 0.0833333 0.5000000 0.5000000), wk = 0.0028409 k( 218) = ( 0.0952381 0.5000000 0.5000000), wk = 0.0028409 k( 219) = ( 0.1071429 0.5000000 0.5000000), wk = 0.0028409 k( 220) = ( 0.1190476 0.5000000 0.5000000), wk = 0.0028409 k( 221) = ( 0.1309524 0.5000000 0.5000000), wk = 0.0028409 k( 222) = ( 0.1428571 0.5000000 0.5000000), wk = 0.0028409 k( 223) = ( 0.1547619 0.5000000 0.5000000), wk = 0.0028409 k( 224) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0028409 k( 225) = ( 0.1785714 0.5000000 0.5000000), wk = 0.0028409 k( 226) = ( 0.1904762 0.5000000 0.5000000), wk = 0.0028409 k( 227) = ( 0.2023810 0.5000000 0.5000000), wk = 0.0028409 k( 228) = ( 0.2142857 0.5000000 0.5000000), wk = 0.0028409 k( 229) = ( 0.2261905 0.5000000 0.5000000), wk = 0.0028409 k( 230) = ( 0.2380952 0.5000000 0.5000000), wk = 0.0028409 k( 231) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0028409 k( 232) = ( 0.2619048 0.5000000 0.5000000), wk = 0.0028409 k( 233) = ( 0.2738095 0.5000000 0.5000000), wk = 0.0028409 k( 234) = ( 0.2857143 0.5000000 0.5000000), wk = 0.0028409 k( 235) = ( 0.2976190 0.5000000 0.5000000), wk = 0.0028409 k( 236) = ( 0.3095238 0.5000000 0.5000000), wk = 0.0028409 k( 237) = ( 0.3214286 0.5000000 0.5000000), wk = 0.0028409 k( 238) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0028409 k( 239) = ( 0.3452381 0.5000000 0.5000000), wk = 0.0028409 k( 240) = ( 0.3571429 0.5000000 0.5000000), wk = 0.0028409 k( 241) = ( 0.3690476 0.5000000 0.5000000), wk = 0.0028409 k( 242) = ( 0.3809524 0.5000000 0.5000000), wk = 0.0028409 k( 243) = ( 0.3928571 0.5000000 0.5000000), wk = 0.0028409 k( 244) = ( 0.4047619 0.5000000 0.5000000), wk = 0.0028409 k( 245) = ( 0.4166667 0.5000000 0.5000000), wk = 0.0028409 k( 246) = ( 0.4285714 0.5000000 0.5000000), wk = 0.0028409 k( 247) = ( 0.4404762 0.5000000 0.5000000), wk = 0.0028409 k( 248) = ( 0.4523810 0.5000000 0.5000000), wk = 0.0028409 k( 249) = ( 0.4642857 0.5000000 0.5000000), wk = 0.0028409 k( 250) = ( 0.4761905 0.5000000 0.5000000), wk = 0.0028409 k( 251) = ( 0.4880952 0.5000000 0.5000000), wk = 0.0028409 k( 252) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028409 k( 253) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028409 k( 254) = ( 0.4915254 0.4915254 0.5000000), wk = 0.0028409 k( 255) = ( 0.4830508 0.4830508 0.5000000), wk = 0.0028409 k( 256) = ( 0.4745763 0.4745763 0.5000000), wk = 0.0028409 k( 257) = ( 0.4661017 0.4661017 0.5000000), wk = 0.0028409 k( 258) = ( 0.4576271 0.4576271 0.5000000), wk = 0.0028409 k( 259) = ( 0.4491525 0.4491525 0.5000000), wk = 0.0028409 k( 260) = ( 0.4406780 0.4406780 0.5000000), wk = 0.0028409 k( 261) = ( 0.4322034 0.4322034 0.5000000), wk = 0.0028409 k( 262) = ( 0.4237288 0.4237288 0.5000000), wk = 0.0028409 k( 263) = ( 0.4152542 0.4152542 0.5000000), wk = 0.0028409 k( 264) = ( 0.4067797 0.4067797 0.5000000), wk = 0.0028409 k( 265) = ( 0.3983051 0.3983051 0.5000000), wk = 0.0028409 k( 266) = ( 0.3898305 0.3898305 0.5000000), wk = 0.0028409 k( 267) = ( 0.3813559 0.3813559 0.5000000), wk = 0.0028409 k( 268) = ( 0.3728814 0.3728814 0.5000000), wk = 0.0028409 k( 269) = ( 0.3644068 0.3644068 0.5000000), wk = 0.0028409 k( 270) = ( 0.3559322 0.3559322 0.5000000), wk = 0.0028409 k( 271) = ( 0.3474576 0.3474576 0.5000000), wk = 0.0028409 k( 272) = ( 0.3389831 0.3389831 0.5000000), wk = 0.0028409 k( 273) = ( 0.3305085 0.3305085 0.5000000), wk = 0.0028409 k( 274) = ( 0.3220339 0.3220339 0.5000000), wk = 0.0028409 k( 275) = ( 0.3135593 0.3135593 0.5000000), wk = 0.0028409 k( 276) = ( 0.3050848 0.3050848 0.5000000), wk = 0.0028409 k( 277) = ( 0.2966102 0.2966102 0.5000000), wk = 0.0028409 k( 278) = ( 0.2881356 0.2881356 0.5000000), wk = 0.0028409 k( 279) = ( 0.2796610 0.2796610 0.5000000), wk = 0.0028409 k( 280) = ( 0.2711864 0.2711864 0.5000000), wk = 0.0028409 k( 281) = ( 0.2627119 0.2627119 0.5000000), wk = 0.0028409 k( 282) = ( 0.2542373 0.2542373 0.5000000), wk = 0.0028409 k( 283) = ( 0.2457627 0.2457627 0.5000000), wk = 0.0028409 k( 284) = ( 0.2372881 0.2372881 0.5000000), wk = 0.0028409 k( 285) = ( 0.2288136 0.2288136 0.5000000), wk = 0.0028409 k( 286) = ( 0.2203390 0.2203390 0.5000000), wk = 0.0028409 k( 287) = ( 0.2118644 0.2118644 0.5000000), wk = 0.0028409 k( 288) = ( 0.2033898 0.2033898 0.5000000), wk = 0.0028409 k( 289) = ( 0.1949153 0.1949153 0.5000000), wk = 0.0028409 k( 290) = ( 0.1864407 0.1864407 0.5000000), wk = 0.0028409 k( 291) = ( 0.1779661 0.1779661 0.5000000), wk = 0.0028409 k( 292) = ( 0.1694915 0.1694915 0.5000000), wk = 0.0028409 k( 293) = ( 0.1610169 0.1610169 0.5000000), wk = 0.0028409 k( 294) = ( 0.1525424 0.1525424 0.5000000), wk = 0.0028409 k( 295) = ( 0.1440678 0.1440678 0.5000000), wk = 0.0028409 k( 296) = ( 0.1355932 0.1355932 0.5000000), wk = 0.0028409 k( 297) = ( 0.1271186 0.1271186 0.5000000), wk = 0.0028409 k( 298) = ( 0.1186441 0.1186441 0.5000000), wk = 0.0028409 k( 299) = ( 0.1101695 0.1101695 0.5000000), wk = 0.0028409 k( 300) = ( 0.1016949 0.1016949 0.5000000), wk = 0.0028409 k( 301) = ( 0.0932203 0.0932203 0.5000000), wk = 0.0028409 k( 302) = ( 0.0847458 0.0847458 0.5000000), wk = 0.0028409 k( 303) = ( 0.0762712 0.0762712 0.5000000), wk = 0.0028409 k( 304) = ( 0.0677966 0.0677966 0.5000000), wk = 0.0028409 k( 305) = ( 0.0593220 0.0593220 0.5000000), wk = 0.0028409 k( 306) = ( 0.0508475 0.0508475 0.5000000), wk = 0.0028409 k( 307) = ( 0.0423729 0.0423729 0.5000000), wk = 0.0028409 k( 308) = ( 0.0338983 0.0338983 0.5000000), wk = 0.0028409 k( 309) = ( 0.0254237 0.0254237 0.5000000), wk = 0.0028409 k( 310) = ( 0.0169491 0.0169491 0.5000000), wk = 0.0028409 k( 311) = ( 0.0084746 0.0084746 0.5000000), wk = 0.0028409 k( 312) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028409 k( 313) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028409 k( 314) = ( 0.0000000 0.5000000 0.0263158), wk = 0.0028409 k( 315) = ( 0.0000000 0.5000000 0.0526316), wk = 0.0028409 k( 316) = ( 0.0000000 0.5000000 0.0789474), wk = 0.0028409 k( 317) = ( 0.0000000 0.5000000 0.1052632), wk = 0.0028409 k( 318) = ( 0.0000000 0.5000000 0.1315790), wk = 0.0028409 k( 319) = ( 0.0000000 0.5000000 0.1578947), wk = 0.0028409 k( 320) = ( 0.0000000 0.5000000 0.1842105), wk = 0.0028409 k( 321) = ( 0.0000000 0.5000000 0.2105263), wk = 0.0028409 k( 322) = ( 0.0000000 0.5000000 0.2368421), wk = 0.0028409 k( 323) = ( 0.0000000 0.5000000 0.2631579), wk = 0.0028409 k( 324) = ( 0.0000000 0.5000000 0.2894737), wk = 0.0028409 k( 325) = ( 0.0000000 0.5000000 0.3157895), wk = 0.0028409 k( 326) = ( 0.0000000 0.5000000 0.3421053), wk = 0.0028409 k( 327) = ( 0.0000000 0.5000000 0.3684211), wk = 0.0028409 k( 328) = ( 0.0000000 0.5000000 0.3947368), wk = 0.0028409 k( 329) = ( 0.0000000 0.5000000 0.4210526), wk = 0.0028409 k( 330) = ( 0.0000000 0.5000000 0.4473684), wk = 0.0028409 k( 331) = ( 0.0000000 0.5000000 0.4736842), wk = 0.0028409 k( 332) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028409 k( 333) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028409 k( 334) = ( 0.5000000 0.5000000 0.0263158), wk = 0.0028409 k( 335) = ( 0.5000000 0.5000000 0.0526316), wk = 0.0028409 k( 336) = ( 0.5000000 0.5000000 0.0789474), wk = 0.0028409 k( 337) = ( 0.5000000 0.5000000 0.1052632), wk = 0.0028409 k( 338) = ( 0.5000000 0.5000000 0.1315790), wk = 0.0028409 k( 339) = ( 0.5000000 0.5000000 0.1578947), wk = 0.0028409 k( 340) = ( 0.5000000 0.5000000 0.1842105), wk = 0.0028409 k( 341) = ( 0.5000000 0.5000000 0.2105263), wk = 0.0028409 k( 342) = ( 0.5000000 0.5000000 0.2368421), wk = 0.0028409 k( 343) = ( 0.5000000 0.5000000 0.2631579), wk = 0.0028409 k( 344) = ( 0.5000000 0.5000000 0.2894737), wk = 0.0028409 k( 345) = ( 0.5000000 0.5000000 0.3157895), wk = 0.0028409 k( 346) = ( 0.5000000 0.5000000 0.3421053), wk = 0.0028409 k( 347) = ( 0.5000000 0.5000000 0.3684211), wk = 0.0028409 k( 348) = ( 0.5000000 0.5000000 0.3947368), wk = 0.0028409 k( 349) = ( 0.5000000 0.5000000 0.4210526), wk = 0.0028409 k( 350) = ( 0.5000000 0.5000000 0.4473684), wk = 0.0028409 k( 351) = ( 0.5000000 0.5000000 0.4736842), wk = 0.0028409 k( 352) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028409 Dense grid: 77377 G-vectors FFT dimensions: ( 45, 45, 90) Smooth grid: 38795 G-vectors FFT dimensions: ( 36, 36, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.33 Mb ( 296, 72) NL pseudopotentials 0.43 Mb ( 148, 192) Each V/rho on FFT grid 0.09 Mb ( 6075) Each G-vector array 0.02 Mb ( 2148) G-vector shells 0.01 Mb ( 1092) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.30 Mb ( 296, 288) Each subspace H/S matrix 0.08 Mb ( 72, 72) Each matrix 0.42 Mb ( 192, 2, 72) The potential is recalculated from file : ./CaFeAsF.save/charge-density.dat Starting wfc are 100 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.1 secs Computing kpt #: 2 total cpu time spent up to now is 5.3 secs Computing kpt #: 3 total cpu time spent up to now is 6.6 secs Computing kpt #: 4 total cpu time spent up to now is 7.7 secs Computing kpt #: 5 total cpu time spent up to now is 8.8 secs Computing kpt #: 6 total cpu time spent up to now is 9.7 secs Computing kpt #: 7 total cpu time spent up to now is 10.8 secs Computing kpt #: 8 total cpu time spent up to now is 11.8 secs Computing kpt #: 9 total cpu time spent up to now is 12.7 secs Computing kpt #: 10 total cpu time spent up to now is 13.7 secs Computing kpt #: 11 total cpu time spent up to now is 14.7 secs Computing kpt #: 12 total cpu time spent up to now is 15.7 secs Computing kpt #: 13 total cpu time spent up to now is 16.6 secs Computing kpt #: 14 total cpu time spent up to now is 17.6 secs Computing kpt #: 15 total cpu time spent up to now is 18.6 secs Computing kpt #: 16 total cpu time spent up to now is 19.6 secs Computing kpt #: 17 total cpu time spent up to now is 20.5 secs Computing kpt #: 18 total cpu time spent up to now is 21.5 secs Computing kpt #: 19 total cpu time spent up to now is 22.5 secs Computing kpt #: 20 total cpu time spent up to now is 23.5 secs Computing kpt #: 21 total cpu time spent up to now is 24.5 secs Computing kpt #: 22 total cpu time spent up to now is 25.5 secs Computing kpt #: 23 total cpu time spent up to now is 26.6 secs Computing kpt #: 24 total cpu time spent up to now is 27.7 secs Computing kpt #: 25 total cpu time spent up to now is 28.7 secs Computing kpt #: 26 total cpu time spent up to now is 29.8 secs Computing kpt #: 27 total cpu time spent up to now is 31.0 secs Computing kpt #: 28 total cpu time spent up to now is 32.2 secs Computing kpt #: 29 total cpu time spent up to now is 33.5 secs Computing kpt #: 30 total cpu time spent up to now is 34.6 secs Computing kpt #: 31 total cpu time spent up to now is 36.3 secs Computing kpt #: 32 total cpu time spent up to now is 37.8 secs Computing kpt #: 33 total cpu time spent up to now is 40.4 secs Computing kpt #: 34 total cpu time spent up to now is 42.7 secs Computing kpt #: 35 total cpu time spent up to now is 44.2 secs Computing kpt #: 36 total cpu time spent up to now is 45.8 secs Computing kpt #: 37 total cpu time spent up to now is 47.3 secs Computing kpt #: 38 total cpu time spent up to now is 48.7 secs Computing kpt #: 39 total cpu time spent up to now is 50.0 secs Computing kpt #: 40 total cpu time spent up to now is 51.3 secs Computing kpt #: 41 total cpu time spent up to now is 52.5 secs Computing kpt #: 42 total cpu time spent up to now is 53.7 secs Computing kpt #: 43 total cpu time spent up to now is 55.0 secs Computing kpt #: 44 total cpu time spent up to now is 56.1 secs Computing kpt #: 45 total cpu time spent up to now is 57.3 secs Computing kpt #: 46 total cpu time spent up to now is 58.5 secs Computing kpt #: 47 total cpu time spent up to now is 59.5 secs Computing kpt #: 48 total cpu time spent up to now is 60.6 secs Computing kpt #: 49 total cpu time spent up to now is 61.6 secs Computing kpt #: 50 total cpu time spent up to now is 62.6 secs Computing kpt #: 51 total cpu time spent up to now is 63.6 secs Computing kpt #: 52 total cpu time spent up to now is 64.7 secs Computing kpt #: 53 total cpu time spent up to now is 65.7 secs Computing kpt #: 54 total cpu time spent up to now is 66.9 secs Computing kpt #: 55 total cpu time spent up to now is 67.9 secs Computing kpt #: 56 total cpu time spent up to now is 68.9 secs Computing kpt #: 57 total cpu time spent up to now is 70.0 secs Computing kpt #: 58 total cpu time spent up to now is 71.2 secs Computing kpt #: 59 total cpu time spent up to now is 72.4 secs Computing kpt #: 60 total cpu time spent up to now is 73.5 secs Computing kpt #: 61 total cpu time spent up to now is 74.7 secs Computing kpt #: 62 total cpu time spent up to now is 75.8 secs Computing kpt #: 63 total cpu time spent up to now is 76.9 secs Computing kpt #: 64 total cpu time spent up to now is 77.9 secs Computing kpt #: 65 total cpu time spent up to now is 79.0 secs Computing kpt #: 66 total cpu time spent up to now is 80.0 secs Computing kpt #: 67 total cpu time spent up to now is 81.0 secs Computing kpt #: 68 total cpu time spent up to now is 82.0 secs Computing kpt #: 69 total cpu time spent up to now is 82.9 secs Computing kpt #: 70 total cpu time spent up to now is 83.9 secs Computing kpt #: 71 total cpu time spent up to now is 84.9 secs Computing kpt #: 72 total cpu time spent up to now is 85.9 secs Computing kpt #: 73 total cpu time spent up to now is 86.9 secs Computing kpt #: 74 total cpu time spent up to now is 87.8 secs Computing kpt #: 75 total cpu time spent up to now is 88.8 secs Computing kpt #: 76 total cpu time spent up to now is 89.7 secs Computing kpt #: 77 total cpu time spent up to now is 90.7 secs Computing kpt #: 78 total cpu time spent up to now is 91.6 secs Computing kpt #: 79 total cpu time spent up to now is 92.6 secs Computing kpt #: 80 total cpu time spent up to now is 93.5 secs Computing kpt #: 81 total cpu time spent up to now is 94.6 secs Computing kpt #: 82 total cpu time spent up to now is 95.6 secs Computing kpt #: 83 total cpu time spent up to now is 96.6 secs Computing kpt #: 84 total cpu time spent up to now is 97.6 secs Computing kpt #: 85 total cpu time spent up to now is 98.6 secs Computing kpt #: 86 total cpu time spent up to now is 99.6 secs Computing kpt #: 87 total cpu time spent up to now is 100.7 secs Computing kpt #: 88 total cpu time spent up to now is 101.7 secs Computing kpt #: 89 total cpu time spent up to now is 102.7 secs Computing kpt #: 90 total cpu time spent up to now is 103.7 secs Computing kpt #: 91 total cpu time spent up to now is 104.8 secs Computing kpt #: 92 total cpu time spent up to now is 105.8 secs Computing kpt #: 93 total cpu time spent up to now is 106.8 secs Computing kpt #: 94 total cpu time spent up to now is 107.8 secs Computing kpt #: 95 total cpu time spent up to now is 108.8 secs Computing kpt #: 96 total cpu time spent up to now is 109.7 secs Computing kpt #: 97 total cpu time spent up to now is 110.7 secs Computing kpt #: 98 total cpu time spent up to now is 111.6 secs Computing kpt #: 99 total cpu time spent up to now is 112.7 secs Computing kpt #: 100 total cpu time spent up to now is 113.7 secs Computing kpt #: 101 total cpu time spent up to now is 114.8 secs Computing kpt #: 102 total cpu time spent up to now is 115.8 secs Computing kpt #: 103 total cpu time spent up to now is 117.8 secs Computing kpt #: 104 total cpu time spent up to now is 119.0 secs Computing kpt #: 105 total cpu time spent up to now is 120.1 secs Computing kpt #: 106 total cpu time spent up to now is 121.4 secs Computing kpt #: 107 total cpu time spent up to now is 122.6 secs Computing kpt #: 108 total cpu time spent up to now is 123.8 secs Computing kpt #: 109 total cpu time spent up to now is 125.1 secs Computing kpt #: 110 total cpu time spent up to now is 126.3 secs Computing kpt #: 111 total cpu time spent up to now is 127.6 secs Computing kpt #: 112 total cpu time spent up to now is 128.8 secs Computing kpt #: 113 total cpu time spent up to now is 130.0 secs Computing kpt #: 114 total cpu time spent up to now is 131.4 secs Computing kpt #: 115 total cpu time spent up to now is 132.5 secs Computing kpt #: 116 total cpu time spent up to now is 133.9 secs Computing kpt #: 117 total cpu time spent up to now is 135.0 secs Computing kpt #: 118 total cpu time spent up to now is 136.0 secs Computing kpt #: 119 total cpu time spent up to now is 137.1 secs Computing kpt #: 120 total cpu time spent up to now is 138.1 secs Computing kpt #: 121 total cpu time spent up to now is 139.2 secs Computing kpt #: 122 total cpu time spent up to now is 140.3 secs Computing kpt #: 123 total cpu time spent up to now is 141.6 secs Computing kpt #: 124 total cpu time spent up to now is 142.8 secs Computing kpt #: 125 total cpu time spent up to now is 144.1 secs Computing kpt #: 126 total cpu time spent up to now is 145.3 secs Computing kpt #: 127 total cpu time spent up to now is 146.6 secs Computing kpt #: 128 total cpu time spent up to now is 147.9 secs Computing kpt #: 129 total cpu time spent up to now is 149.7 secs Computing kpt #: 130 total cpu time spent up to now is 150.8 secs Computing kpt #: 131 total cpu time spent up to now is 153.3 secs Computing kpt #: 132 total cpu time spent up to now is 154.3 secs Computing kpt #: 133 total cpu time spent up to now is 155.3 secs Computing kpt #: 134 total cpu time spent up to now is 156.3 secs Computing kpt #: 135 total cpu time spent up to now is 157.4 secs Computing kpt #: 136 total cpu time spent up to now is 158.3 secs Computing kpt #: 137 total cpu time spent up to now is 159.3 secs Computing kpt #: 138 total cpu time spent up to now is 160.2 secs Computing kpt #: 139 total cpu time spent up to now is 161.2 secs Computing kpt #: 140 total cpu time spent up to now is 162.3 secs Computing kpt #: 141 total cpu time spent up to now is 163.4 secs Computing kpt #: 142 total cpu time spent up to now is 164.6 secs Computing kpt #: 143 total cpu time spent up to now is 165.8 secs Computing kpt #: 144 total cpu time spent up to now is 166.9 secs Computing kpt #: 145 total cpu time spent up to now is 168.1 secs Computing kpt #: 146 total cpu time spent up to now is 169.5 secs Computing kpt #: 147 total cpu time spent up to now is 171.4 secs Computing kpt #: 148 total cpu time spent up to now is 173.2 secs Computing kpt #: 149 total cpu time spent up to now is 174.4 secs Computing kpt #: 150 total cpu time spent up to now is 175.5 secs Computing kpt #: 151 total cpu time spent up to now is 176.6 secs Computing kpt #: 152 total cpu time spent up to now is 177.7 secs Computing kpt #: 153 total cpu time spent up to now is 178.8 secs Computing kpt #: 154 total cpu time spent up to now is 179.9 secs Computing kpt #: 155 total cpu time spent up to now is 181.1 secs Computing kpt #: 156 total cpu time spent up to now is 183.3 secs Computing kpt #: 157 total cpu time spent up to now is 184.3 secs Computing kpt #: 158 total cpu time spent up to now is 185.4 secs Computing kpt #: 159 total cpu time spent up to now is 186.4 secs Computing kpt #: 160 total cpu time spent up to now is 187.5 secs Computing kpt #: 161 total cpu time spent up to now is 188.7 secs Computing kpt #: 162 total cpu time spent up to now is 189.9 secs Computing kpt #: 163 total cpu time spent up to now is 191.1 secs Computing kpt #: 164 total cpu time spent up to now is 192.2 secs Computing kpt #: 165 total cpu time spent up to now is 193.4 secs Computing kpt #: 166 total cpu time spent up to now is 194.7 secs Computing kpt #: 167 total cpu time spent up to now is 195.9 secs Computing kpt #: 168 total cpu time spent up to now is 197.2 secs Computing kpt #: 169 total cpu time spent up to now is 198.5 secs Computing kpt #: 170 total cpu time spent up to now is 199.7 secs Computing kpt #: 171 total cpu time spent up to now is 201.0 secs Computing kpt #: 172 total cpu time spent up to now is 202.1 secs Computing kpt #: 173 total cpu time spent up to now is 203.4 secs Computing kpt #: 174 total cpu time spent up to now is 204.6 secs Computing kpt #: 175 total cpu time spent up to now is 205.9 secs Computing kpt #: 176 total cpu time spent up to now is 207.1 secs Computing kpt #: 177 total cpu time spent up to now is 208.2 secs Computing kpt #: 178 total cpu time spent up to now is 209.5 secs Computing kpt #: 179 total cpu time spent up to now is 210.4 secs Computing kpt #: 180 total cpu time spent up to now is 211.4 secs Computing kpt #: 181 total cpu time spent up to now is 212.4 secs Computing kpt #: 182 total cpu time spent up to now is 213.3 secs Computing kpt #: 183 total cpu time spent up to now is 214.6 secs Computing kpt #: 184 total cpu time spent up to now is 215.6 secs Computing kpt #: 185 total cpu time spent up to now is 216.6 secs Computing kpt #: 186 total cpu time spent up to now is 217.8 secs Computing kpt #: 187 total cpu time spent up to now is 218.8 secs Computing kpt #: 188 total cpu time spent up to now is 219.8 secs Computing kpt #: 189 total cpu time spent up to now is 220.7 secs Computing kpt #: 190 total cpu time spent up to now is 221.7 secs Computing kpt #: 191 total cpu time spent up to now is 222.7 secs Computing kpt #: 192 total cpu time spent up to now is 223.7 secs Computing kpt #: 193 total cpu time spent up to now is 224.6 secs Computing kpt #: 194 total cpu time spent up to now is 225.9 secs Computing kpt #: 195 total cpu time spent up to now is 226.8 secs Computing kpt #: 196 total cpu time spent up to now is 227.8 secs Computing kpt #: 197 total cpu time spent up to now is 228.7 secs Computing kpt #: 198 total cpu time spent up to now is 229.7 secs Computing kpt #: 199 total cpu time spent up to now is 230.6 secs Computing kpt #: 200 total cpu time spent up to now is 231.7 secs Computing kpt #: 201 total cpu time spent up to now is 232.7 secs Computing kpt #: 202 total cpu time spent up to now is 234.8 secs Computing kpt #: 203 total cpu time spent up to now is 236.1 secs Computing kpt #: 204 total cpu time spent up to now is 237.5 secs Computing kpt #: 205 total cpu time spent up to now is 238.8 secs Computing kpt #: 206 total cpu time spent up to now is 240.1 secs Computing kpt #: 207 total cpu time spent up to now is 241.3 secs Computing kpt #: 208 total cpu time spent up to now is 242.6 secs Computing kpt #: 209 total cpu time spent up to now is 243.9 secs Computing kpt #: 210 total cpu time spent up to now is 245.3 secs Computing kpt #: 211 total cpu time spent up to now is 246.5 secs Computing kpt #: 212 total cpu time spent up to now is 247.6 secs Computing kpt #: 213 total cpu time spent up to now is 248.8 secs Computing kpt #: 214 total cpu time spent up to now is 249.9 secs Computing kpt #: 215 total cpu time spent up to now is 251.1 secs Computing kpt #: 216 total cpu time spent up to now is 252.2 secs Computing kpt #: 217 total cpu time spent up to now is 253.5 secs Computing kpt #: 218 total cpu time spent up to now is 254.6 secs Computing kpt #: 219 total cpu time spent up to now is 255.8 secs Computing kpt #: 220 total cpu time spent up to now is 257.0 secs Computing kpt #: 221 total cpu time spent up to now is 258.3 secs Computing kpt #: 222 total cpu time spent up to now is 259.5 secs Computing kpt #: 223 total cpu time spent up to now is 260.7 secs Computing kpt #: 224 total cpu time spent up to now is 261.9 secs Computing kpt #: 225 total cpu time spent up to now is 263.1 secs Computing kpt #: 226 total cpu time spent up to now is 264.1 secs Computing kpt #: 227 total cpu time spent up to now is 265.3 secs Computing kpt #: 228 total cpu time spent up to now is 266.4 secs Computing kpt #: 229 total cpu time spent up to now is 267.5 secs Computing kpt #: 230 total cpu time spent up to now is 268.8 secs Computing kpt #: 231 total cpu time spent up to now is 270.0 secs Computing kpt #: 232 total cpu time spent up to now is 271.3 secs Computing kpt #: 233 total cpu time spent up to now is 272.5 secs Computing kpt #: 234 total cpu time spent up to now is 273.9 secs Computing kpt #: 235 total cpu time spent up to now is 275.1 secs Computing kpt #: 236 total cpu time spent up to now is 276.4 secs Computing kpt #: 237 total cpu time spent up to now is 277.7 secs Computing kpt #: 238 total cpu time spent up to now is 278.8 secs Computing kpt #: 239 total cpu time spent up to now is 280.0 secs Computing kpt #: 240 total cpu time spent up to now is 281.2 secs Computing kpt #: 241 total cpu time spent up to now is 282.4 secs Computing kpt #: 242 total cpu time spent up to now is 283.5 secs Computing kpt #: 243 total cpu time spent up to now is 284.7 secs Computing kpt #: 244 total cpu time spent up to now is 285.9 secs Computing kpt #: 245 total cpu time spent up to now is 287.1 secs Computing kpt #: 246 total cpu time spent up to now is 288.2 secs Computing kpt #: 247 total cpu time spent up to now is 289.4 secs Computing kpt #: 248 total cpu time spent up to now is 290.6 secs Computing kpt #: 249 total cpu time spent up to now is 291.7 secs Computing kpt #: 250 total cpu time spent up to now is 292.9 secs Computing kpt #: 251 total cpu time spent up to now is 294.0 secs Computing kpt #: 252 total cpu time spent up to now is 295.2 secs Computing kpt #: 253 total cpu time spent up to now is 296.4 secs Computing kpt #: 254 total cpu time spent up to now is 297.5 secs Computing kpt #: 255 total cpu time spent up to now is 298.7 secs Computing kpt #: 256 total cpu time spent up to now is 299.9 secs Computing kpt #: 257 total cpu time spent up to now is 301.1 secs Computing kpt #: 258 total cpu time spent up to now is 302.3 secs Computing kpt #: 259 total cpu time spent up to now is 303.4 secs Computing kpt #: 260 total cpu time spent up to now is 304.6 secs Computing kpt #: 261 total cpu time spent up to now is 305.8 secs Computing kpt #: 262 total cpu time spent up to now is 307.0 secs Computing kpt #: 263 total cpu time spent up to now is 308.2 secs Computing kpt #: 264 total cpu time spent up to now is 309.4 secs Computing kpt #: 265 total cpu time spent up to now is 310.5 secs Computing kpt #: 266 total cpu time spent up to now is 311.7 secs Computing kpt #: 267 total cpu time spent up to now is 312.8 secs Computing kpt #: 268 total cpu time spent up to now is 314.0 secs Computing kpt #: 269 total cpu time spent up to now is 315.3 secs Computing kpt #: 270 total cpu time spent up to now is 316.6 secs Computing kpt #: 271 total cpu time spent up to now is 317.8 secs Computing kpt #: 272 total cpu time spent up to now is 319.1 secs Computing kpt #: 273 total cpu time spent up to now is 320.3 secs Computing kpt #: 274 total cpu time spent up to now is 321.5 secs Computing kpt #: 275 total cpu time spent up to now is 322.8 secs Computing kpt #: 276 total cpu time spent up to now is 324.1 secs Computing kpt #: 277 total cpu time spent up to now is 325.3 secs Computing kpt #: 278 total cpu time spent up to now is 326.6 secs Computing kpt #: 279 total cpu time spent up to now is 327.8 secs Computing kpt #: 280 total cpu time spent up to now is 329.2 secs Computing kpt #: 281 total cpu time spent up to now is 330.5 secs Computing kpt #: 282 total cpu time spent up to now is 331.7 secs Computing kpt #: 283 total cpu time spent up to now is 333.2 secs Computing kpt #: 284 total cpu time spent up to now is 334.5 secs Computing kpt #: 285 total cpu time spent up to now is 335.6 secs Computing kpt #: 286 total cpu time spent up to now is 336.8 secs Computing kpt #: 287 total cpu time spent up to now is 338.1 secs Computing kpt #: 288 total cpu time spent up to now is 339.7 secs Computing kpt #: 289 total cpu time spent up to now is 341.4 secs Computing kpt #: 290 total cpu time spent up to now is 342.9 secs Computing kpt #: 291 total cpu time spent up to now is 344.5 secs Computing kpt #: 292 total cpu time spent up to now is 345.9 secs Computing kpt #: 293 total cpu time spent up to now is 347.3 secs Computing kpt #: 294 total cpu time spent up to now is 349.1 secs Computing kpt #: 295 total cpu time spent up to now is 350.4 secs Computing kpt #: 296 total cpu time spent up to now is 351.5 secs Computing kpt #: 297 total cpu time spent up to now is 352.7 secs Computing kpt #: 298 total cpu time spent up to now is 353.9 secs Computing kpt #: 299 total cpu time spent up to now is 355.0 secs Computing kpt #: 300 total cpu time spent up to now is 356.1 secs Computing kpt #: 301 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 358.5 secs Computing kpt #: 302 total cpu time spent up to now is 359.5 secs Computing kpt #: 303 total cpu time spent up to now is 360.5 secs Computing kpt #: 304 total cpu time spent up to now is 361.5 secs Computing kpt #: 305 total cpu time spent up to now is 362.8 secs Computing kpt #: 306 total cpu time spent up to now is 364.0 secs Computing kpt #: 307 total cpu time spent up to now is 365.3 secs Computing kpt #: 308 total cpu time spent up to now is 366.6 secs Computing kpt #: 309 total cpu time spent up to now is 367.8 secs Computing kpt #: 310 total cpu time spent up to now is 369.2 secs Computing kpt #: 311 total cpu time spent up to now is 370.5 secs Computing kpt #: 312 total cpu time spent up to now is 371.8 secs Computing kpt #: 313 total cpu time spent up to now is 373.0 secs Computing kpt #: 314 total cpu time spent up to now is 374.3 secs Computing kpt #: 315 total cpu time spent up to now is 375.5 secs Computing kpt #: 316 total cpu time spent up to now is 376.8 secs Computing kpt #: 317 total cpu time spent up to now is 378.1 secs Computing kpt #: 318 total cpu time spent up to now is 379.2 secs Computing kpt #: 319 total cpu time spent up to now is 380.4 secs Computing kpt #: 320 total cpu time spent up to now is 381.8 secs Computing kpt #: 321 total cpu time spent up to now is 382.9 secs Computing kpt #: 322 total cpu time spent up to now is 384.2 secs Computing kpt #: 323 total cpu time spent up to now is 385.5 secs Computing kpt #: 324 total cpu time spent up to now is 386.7 secs Computing kpt #: 325 total cpu time spent up to now is 387.9 secs Computing kpt #: 326 total cpu time spent up to now is 389.2 secs Computing kpt #: 327 total cpu time spent up to now is 390.5 secs Computing kpt #: 328 total cpu time spent up to now is 391.7 secs Computing kpt #: 329 total cpu time spent up to now is 393.0 secs Computing kpt #: 330 total cpu time spent up to now is 395.4 secs Computing kpt #: 331 total cpu time spent up to now is 396.9 secs Computing kpt #: 332 total cpu time spent up to now is 398.2 secs Computing kpt #: 333 total cpu time spent up to now is 399.3 secs Computing kpt #: 334 total cpu time spent up to now is 400.3 secs Computing kpt #: 335 total cpu time spent up to now is 401.4 secs Computing kpt #: 336 total cpu time spent up to now is 402.4 secs Computing kpt #: 337 total cpu time spent up to now is 403.5 secs Computing kpt #: 338 total cpu time spent up to now is 404.5 secs Computing kpt #: 339 total cpu time spent up to now is 405.6 secs Computing kpt #: 340 total cpu time spent up to now is 406.6 secs Computing kpt #: 341 total cpu time spent up to now is 407.7 secs Computing kpt #: 342 total cpu time spent up to now is 408.8 secs Computing kpt #: 343 total cpu time spent up to now is 409.8 secs Computing kpt #: 344 total cpu time spent up to now is 411.0 secs Computing kpt #: 345 total cpu time spent up to now is 412.1 secs Computing kpt #: 346 total cpu time spent up to now is 413.2 secs Computing kpt #: 347 total cpu time spent up to now is 414.3 secs Computing kpt #: 348 total cpu time spent up to now is 415.5 secs Computing kpt #: 349 total cpu time spent up to now is 416.6 secs Computing kpt #: 350 total cpu time spent up to now is 417.8 secs Computing kpt #: 351 total cpu time spent up to now is 418.9 secs Computing kpt #: 352 total cpu time spent up to now is 420.1 secs ethr = 1.67E-08, avg # of iterations = 38.5 total cpu time spent up to now is 420.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4831 PWs) bands (ev): -30.8346 -30.8346 -30.8091 -30.8091 -15.0588 -15.0588 -14.1893 -14.1893 -12.0654 -12.0654 -12.0477 -12.0477 -11.7524 -11.7524 -11.6936 -11.6936 -11.6824 -11.6824 -11.3824 -11.3824 -2.4270 -2.4270 -1.2498 -1.2498 3.2044 3.2044 3.2313 3.2313 3.2511 3.2511 3.7979 3.7979 4.8291 4.8291 4.8718 4.8718 5.1741 5.1741 6.0455 6.0455 6.5900 6.5900 6.6575 6.6575 7.5769 7.5769 7.6668 7.6668 7.7088 7.7088 9.1839 9.1839 9.5433 9.5433 10.1681 10.1681 10.1852 10.1852 10.2616 10.2616 10.6376 10.6376 10.9093 10.9093 12.6469 12.6469 12.7211 12.7211 12.8695 12.8695 13.1665 13.1665 k = 0.0000 0.0119-0.0000 ( 4815 PWs) bands (ev): -30.8346 -30.8346 -30.8091 -30.8091 -15.0586 -15.0586 -14.1899 -14.1899 -12.0658 -12.0658 -12.0471 -12.0471 -11.7522 -11.7522 -11.6936 -11.6936 -11.6825 -11.6825 -11.3823 -11.3823 -2.4261 -2.4261 -1.2493 -1.2493 3.2045 3.2045 3.2310 3.2310 3.2525 3.2525 3.7979 3.7979 4.8277 4.8277 4.8703 4.8703 5.1767 5.1767 6.0459 6.0459 6.5892 6.5892 6.6567 6.6567 7.5746 7.5746 7.6671 7.6671 7.7070 7.7070 9.1850 9.1850 9.5435 9.5435 10.1661 10.1661 10.1808 10.1808 10.2577 10.2577 10.6455 10.6455 10.9103 10.9103 12.6336 12.6336 12.7093 12.7093 12.8713 12.8713 13.1846 13.1846 k = 0.0000 0.0238-0.0000 ( 4813 PWs) bands (ev): -30.8345 -30.8345 -30.8090 -30.8090 -15.0582 -15.0582 -14.1916 -14.1916 -12.0670 -12.0670 -12.0456 -12.0456 -11.7518 -11.7518 -11.6940 -11.6940 -11.6826 -11.6826 -11.3819 -11.3819 -2.4232 -2.4232 -1.2480 -1.2480 3.2048 3.2048 3.2304 3.2304 3.2563 3.2563 3.7981 3.7981 4.8236 4.8236 4.8662 4.8662 5.1842 5.1842 6.0468 6.0468 6.5864 6.5864 6.6545 6.6545 7.5672 7.5672 7.6673 7.6673 7.7021 7.7021 9.1883 9.1883 9.5440 9.5440 10.1557 10.1557 10.1711 10.1711 10.2481 10.2481 10.6673 10.6673 10.9130 10.9130 12.5865 12.5865 12.6910 12.6910 12.8773 12.8773 13.2236 13.2236 k = 0.0000 0.0357-0.0000 ( 4811 PWs) bands (ev): -30.8344 -30.8344 -30.8090 -30.8090 -15.0575 -15.0575 -14.1945 -14.1945 -12.0685 -12.0685 -12.0434 -12.0434 -11.7510 -11.7510 -11.6947 -11.6947 -11.6828 -11.6828 -11.3814 -11.3814 -2.4185 -2.4185 -1.2458 -1.2458 3.2051 3.2051 3.2305 3.2305 3.2617 3.2617 3.7983 3.7983 4.8167 4.8167 4.8600 4.8600 5.1962 5.1962 6.0485 6.0485 6.5812 6.5812 6.6515 6.6515 7.5540 7.5540 7.6660 7.6660 7.6968 7.6968 9.1936 9.1936 9.5450 9.5450 10.1300 10.1300 10.1637 10.1637 10.2366 10.2366 10.6989 10.6989 10.9175 10.9175 12.5108 12.5108 12.6775 12.6775 12.8879 12.8879 13.2595 13.2595 k = 0.0000 0.0476-0.0000 ( 4811 PWs) bands (ev): -30.8342 -30.8342 -30.8090 -30.8090 -15.0565 -15.0565 -14.1984 -14.1984 -12.0703 -12.0703 -12.0408 -12.0408 -11.7500 -11.7500 -11.6956 -11.6956 -11.6830 -11.6830 -11.3806 -11.3806 -2.4119 -2.4119 -1.2427 -1.2427 3.2056 3.2056 3.2316 3.2316 3.2684 3.2684 3.7987 3.7987 4.8070 4.8070 4.8522 4.8522 5.2119 5.2119 6.0508 6.0508 6.5727 6.5727 6.6487 6.6487 7.5338 7.5338 7.6608 7.6608 7.6951 7.6951 9.2005 9.2005 9.5463 9.5463 10.0940 10.0940 10.1560 10.1560 10.2247 10.2247 10.7365 10.7365 10.9239 10.9239 12.4213 12.4213 12.6650 12.6650 12.9029 12.9029 13.2870 13.2870 k = 0.0000 0.0595-0.0000 ( 4809 PWs) bands (ev): -30.8340 -30.8340 -30.8089 -30.8089 -15.0552 -15.0552 -14.2035 -14.2035 -12.0721 -12.0721 -12.0379 -12.0379 -11.7487 -11.7487 -11.6967 -11.6967 -11.6832 -11.6832 -11.3797 -11.3797 -2.4034 -2.4034 -1.2388 -1.2388 3.2060 3.2060 3.2339 3.2339 3.2761 3.2761 3.7991 3.7991 4.7948 4.7948 4.8433 4.8433 5.2308 5.2308 6.0535 6.0535 6.5602 6.5602 6.6468 6.6468 7.5059 7.5059 7.6520 7.6520 7.6981 7.6981 9.2085 9.2085 9.5479 9.5479 10.0526 10.0526 10.1468 10.1468 10.2122 10.2122 10.7769 10.7769 10.9319 10.9319 12.3262 12.3262 12.6512 12.6512 12.9216 12.9216 13.3116 13.3116 k = 0.0000 0.0714-0.0000 ( 4819 PWs) bands (ev): -30.8337 -30.8337 -30.8089 -30.8089 -15.0537 -15.0537 -14.2097 -14.2097 -12.0739 -12.0739 -12.0349 -12.0349 -11.7470 -11.7470 -11.6982 -11.6982 -11.6835 -11.6835 -11.3787 -11.3787 -2.3931 -2.3931 -1.2340 -1.2340 3.2066 3.2066 3.2376 3.2376 3.2845 3.2845 3.7996 3.7996 4.7804 4.7804 4.8334 4.8334 5.2522 5.2522 6.0566 6.0566 6.5436 6.5436 6.6463 6.6463 7.4702 7.4702 7.6417 7.6417 7.7044 7.7044 9.2171 9.2171 9.5498 9.5498 10.0087 10.0087 10.1357 10.1357 10.1987 10.1987 10.8184 10.8184 10.9417 10.9417 12.2292 12.2292 12.6355 12.6355 12.9437 12.9437 13.3367 13.3367 k = 0.0000 0.0833-0.0000 ( 4827 PWs) bands (ev): -30.8334 -30.8334 -30.8088 -30.8088 -15.0518 -15.0518 -14.2169 -14.2169 -12.0755 -12.0755 -12.0317 -12.0317 -11.7451 -11.7451 -11.6999 -11.6999 -11.6837 -11.6837 -11.3775 -11.3775 -2.3809 -2.3809 -1.2285 -1.2285 3.2075 3.2075 3.2425 3.2425 3.2938 3.2938 3.8001 3.8001 4.7643 4.7643 4.8226 4.8226 5.2755 5.2755 6.0598 6.0598 6.5229 6.5229 6.6472 6.6472 7.4274 7.4274 7.6312 7.6312 7.7131 7.7131 9.2257 9.2257 9.5520 9.5520 9.9643 9.9643 10.1228 10.1228 10.1839 10.1839 10.8593 10.8593 10.9535 10.9535 12.1322 12.1322 12.6177 12.6177 12.9683 12.9683 13.3639 13.3639 k = 0.0000 0.0952-0.0000 ( 4829 PWs) bands (ev): -30.8331 -30.8331 -30.8087 -30.8087 -15.0496 -15.0496 -14.2251 -14.2251 -12.0771 -12.0771 -12.0286 -12.0286 -11.7429 -11.7429 -11.7018 -11.7018 -11.6838 -11.6838 -11.3763 -11.3763 -2.3669 -2.3669 -1.2223 -1.2223 3.2088 3.2088 3.2485 3.2485 3.3037 3.3037 3.8005 3.8005 4.7470 4.7470 4.8108 4.8108 5.3003 5.3003 6.0630 6.0630 6.4987 6.4987 6.6493 6.6493 7.3787 7.3787 7.6207 7.6207 7.7236 7.7236 9.2337 9.2337 9.5544 9.5544 9.9208 9.9208 10.1079 10.1079 10.1676 10.1676 10.8985 10.8985 10.9676 10.9676 12.0365 12.0365 12.5978 12.5978 12.9949 12.9949 13.3937 13.3937 k = 0.0000 0.1071-0.0000 ( 4836 PWs) bands (ev): -30.8327 -30.8327 -30.8086 -30.8086 -15.0472 -15.0472 -14.2343 -14.2343 -12.0785 -12.0785 -12.0254 -12.0254 -11.7403 -11.7403 -11.7039 -11.7039 -11.6840 -11.6840 -11.3750 -11.3750 -2.3511 -2.3511 -1.2154 -1.2154 3.2106 3.2106 3.2556 3.2556 3.3142 3.3142 3.8010 3.8010 4.7288 4.7288 4.7979 4.7979 5.3263 5.3263 6.0660 6.0660 6.4713 6.4713 6.6524 6.6524 7.3252 7.3252 7.6100 7.6100 7.7358 7.7358 9.2405 9.2405 9.5570 9.5570 9.8792 9.8792 10.0910 10.0910 10.1498 10.1498 10.9341 10.9341 10.9855 10.9855 11.9429 11.9429 12.5761 12.5761 13.0229 13.0229 13.4262 13.4262 k = 0.0000 0.1190-0.0000 ( 4846 PWs) bands (ev): -30.8323 -30.8323 -30.8085 -30.8085 -15.0444 -15.0444 -14.2444 -14.2444 -12.0797 -12.0797 -12.0222 -12.0222 -11.7375 -11.7375 -11.7062 -11.7062 -11.6841 -11.6841 -11.3738 -11.3738 -2.3336 -2.3336 -1.2079 -1.2079 3.2129 3.2129 3.2637 3.2637 3.3253 3.3253 3.8013 3.8013 4.7100 4.7100 4.7839 4.7839 5.3530 5.3530 6.0682 6.0682 6.4414 6.4414 6.6564 6.6564 7.2684 7.2684 7.5991 7.5991 7.7496 7.7496 9.2457 9.2457 9.5596 9.5596 9.8400 9.8400 10.0723 10.0723 10.1305 10.1305 10.9633 10.9633 11.0094 11.0094 11.8519 11.8519 12.5526 12.5526 13.0513 13.0513 13.4612 13.4612 k = 0.0000 0.1310-0.0000 ( 4842 PWs) bands (ev): -30.8318 -30.8318 -30.8084 -30.8084 -15.0414 -15.0414 -14.2555 -14.2555 -12.0807 -12.0807 -12.0191 -12.0191 -11.7343 -11.7343 -11.7085 -11.7085 -11.6842 -11.6842 -11.3727 -11.3727 -2.3144 -2.3144 -1.1998 -1.1998 3.2159 3.2159 3.2727 3.2727 3.3369 3.3369 3.8016 3.8016 4.6906 4.6906 4.7688 4.7688 5.3801 5.3801 6.0694 6.0694 6.4095 6.4095 6.6612 6.6612 7.2094 7.2094 7.5877 7.5877 7.7649 7.7649 9.2487 9.2487 9.5622 9.5622 9.8039 9.8039 10.0518 10.0518 10.1097 10.1097 10.9860 10.9860 11.0396 11.0396 11.7639 11.7639 12.5276 12.5276 13.0796 13.0796 13.4986 13.4986 k = 0.0000 0.1429-0.0000 ( 4838 PWs) bands (ev): -30.8313 -30.8313 -30.8083 -30.8083 -15.0380 -15.0380 -14.2673 -14.2673 -12.0816 -12.0816 -12.0162 -12.0162 -11.7308 -11.7308 -11.7108 -11.7108 -11.6843 -11.6843 -11.3716 -11.3716 -2.2934 -2.2934 -1.1913 -1.1913 3.2195 3.2195 3.2827 3.2827 3.3490 3.3490 3.8016 3.8016 4.6709 4.6709 4.7525 4.7525 5.4072 5.4072 6.0690 6.0690 6.3763 6.3763 6.6668 6.6668 7.1497 7.1497 7.5759 7.5759 7.7817 7.7817 9.2492 9.2492 9.5648 9.5648 9.7711 9.7711 10.0295 10.0295 10.0874 10.0874 11.0051 11.0051 11.0727 11.0727 11.6793 11.6793 12.5012 12.5012 13.1069 13.1069 13.5380 13.5380 k = 0.0000 0.1548-0.0000 ( 4842 PWs) bands (ev): -30.8308 -30.8308 -30.8082 -30.8082 -15.0344 -15.0344 -14.2800 -14.2800 -12.0822 -12.0822 -12.0133 -12.0133 -11.7271 -11.7271 -11.7131 -11.7131 -11.6845 -11.6845 -11.3707 -11.3707 -2.2708 -2.2708 -1.1824 -1.1824 3.2237 3.2237 3.2936 3.2936 3.3615 3.3615 3.8014 3.8014 4.6510 4.6510 4.7351 4.7351 5.4339 5.4339 6.0665 6.0665 6.3422 6.3422 6.6729 6.6729 7.0904 7.0904 7.5635 7.5635 7.7999 7.7999 9.2470 9.2470 9.5671 9.5671 9.7417 9.7417 10.0056 10.0056 10.0637 10.0637 11.0229 11.0229 11.1064 11.1064 11.5983 11.5983 12.4735 12.4735 13.1327 13.1327 13.5789 13.5789 k = 0.0000 0.1667-0.0000 ( 4842 PWs) bands (ev): -30.8302 -30.8302 -30.8081 -30.8081 -15.0304 -15.0304 -14.2934 -14.2934 -12.0827 -12.0827 -12.0106 -12.0106 -11.7233 -11.7233 -11.7151 -11.7151 -11.6846 -11.6846 -11.3700 -11.3700 -2.2467 -2.2467 -1.1732 -1.1732 3.2286 3.2286 3.3054 3.3054 3.3745 3.3745 3.8010 3.8010 4.6308 4.6308 4.7166 4.7166 5.4594 5.4594 6.0610 6.0610 6.3084 6.3084 6.6797 6.6797 7.0330 7.0330 7.5506 7.5506 7.8196 7.8196 9.2419 9.2419 9.5691 9.5691 9.7158 9.7158 9.9800 9.9800 10.0386 10.0386 11.0404 11.0404 11.1396 11.1396 11.5213 11.5213 12.4448 12.4448 13.1561 13.1561 13.6210 13.6210 k = 0.0000 0.1786-0.0000 ( 4846 PWs) bands (ev): -30.8296 -30.8296 -30.8080 -30.8080 -15.0261 -15.0261 -14.3076 -14.3076 -12.0830 -12.0830 -12.0081 -12.0081 -11.7205 -11.7205 -11.7157 -11.7157 -11.6848 -11.6848 -11.3695 -11.3695 -2.2209 -2.2209 -1.1639 -1.1639 3.2341 3.2341 3.3180 3.3180 3.3877 3.3877 3.8002 3.8002 4.6105 4.6105 4.6971 4.6971 5.4832 5.4832 6.0518 6.0518 6.2755 6.2755 6.6869 6.6869 6.9789 6.9789 7.5371 7.5371 7.8407 7.8407 9.2341 9.2341 9.5706 9.5706 9.6930 9.6930 9.9528 9.9528 10.0120 10.0120 11.0579 11.0579 11.1720 11.1720 11.4484 11.4484 12.4153 12.4153 13.1766 13.1766 13.6636 13.6636 k = 0.0000 0.1905-0.0000 ( 4850 PWs) bands (ev): -30.8290 -30.8290 -30.8079 -30.8079 -15.0214 -15.0214 -14.3223 -14.3223 -12.0831 -12.0831 -12.0057 -12.0057 -11.7212 -11.7212 -11.7124 -11.7124 -11.6850 -11.6850 -11.3692 -11.3692 -2.1937 -2.1937 -1.1544 -1.1544 3.2402 3.2402 3.3315 3.3315 3.4013 3.4013 3.7990 3.7990 4.5900 4.5900 4.6765 4.6765 5.5043 5.5043 6.0382 6.0382 6.2448 6.2448 6.6947 6.6947 6.9294 6.9294 7.5230 7.5230 7.8632 7.8632 9.2239 9.2239 9.5714 9.5714 9.6730 9.6730 9.9243 9.9243 9.9841 9.9841 11.0755 11.0755 11.2031 11.2031 11.3799 11.3799 12.3849 12.3849 13.1937 13.1937 13.7061 13.7061 k = 0.0000 0.2024-0.0000 ( 4850 PWs) bands (ev): -30.8283 -30.8283 -30.8078 -30.8078 -15.0165 -15.0165 -14.3377 -14.3377 -12.0830 -12.0830 -12.0036 -12.0036 -11.7229 -11.7229 -11.7077 -11.7077 -11.6851 -11.6851 -11.3693 -11.3693 -2.1651 -2.1651 -1.1449 -1.1449 3.2470 3.2470 3.3458 3.3458 3.4151 3.4151 3.7974 3.7974 4.5693 4.5693 4.6550 4.6550 5.5216 5.5216 6.0195 6.0195 6.2174 6.2174 6.7029 6.7029 6.8859 6.8859 7.5085 7.5085 7.8870 7.8870 9.2117 9.2117 9.5714 9.5714 9.6554 9.6554 9.8943 9.8943 9.9550 9.9550 11.0932 11.0932 11.2325 11.2325 11.3164 11.3164 12.3540 12.3540 13.2070 13.2070 13.7477 13.7477 k = 0.0000 0.2143-0.0000 ( 4850 PWs) bands (ev): -30.8277 -30.8277 -30.8077 -30.8077 -15.0112 -15.0112 -14.3535 -14.3535 -12.0827 -12.0827 -12.0018 -12.0018 -11.7248 -11.7248 -11.7025 -11.7025 -11.6852 -11.6852 -11.3697 -11.3697 -2.1350 -2.1350 -1.1356 -1.1356 3.2544 3.2544 3.3610 3.3610 3.4293 3.4293 3.7952 3.7952 4.5485 4.5485 4.6326 4.6326 5.5341 5.5341 5.9953 5.9953 6.1948 6.1948 6.7114 6.7114 6.8492 6.8492 7.4933 7.4933 7.9122 7.9122 9.1979 9.1979 9.5704 9.5704 9.6397 9.6397 9.8630 9.8630 9.9246 9.9246 11.1108 11.1108 11.2477 11.2477 11.2705 11.2705 12.3226 12.3226 13.2162 13.2162 13.7876 13.7876 k = 0.0000 0.2262-0.0000 ( 4844 PWs) bands (ev): -30.8270 -30.8270 -30.8076 -30.8076 -15.0055 -15.0055 -14.3699 -14.3699 -12.0822 -12.0822 -12.0001 -12.0001 -11.7265 -11.7265 -11.6974 -11.6974 -11.6849 -11.6849 -11.3703 -11.3703 -2.1037 -2.1037 -1.1266 -1.1266 3.2623 3.2623 3.3769 3.3769 3.4437 3.4437 3.7925 3.7925 4.5274 4.5274 4.6093 4.6093 5.5405 5.5405 5.9654 5.9654 6.1782 6.1782 6.7200 6.7200 6.8202 6.8202 7.4777 7.4777 7.9386 7.9386 9.1832 9.1832 9.5682 9.5682 9.6252 9.6252 9.8306 9.8306 9.8931 9.8931 11.1271 11.1271 11.2008 11.2008 11.2911 11.2911 12.2908 12.2908 13.2213 13.2213 13.8249 13.8249 k = 0.0000 0.2381-0.0000 ( 4850 PWs) bands (ev): -30.8263 -30.8263 -30.8075 -30.8075 -14.9995 -14.9995 -14.3867 -14.3867 -12.0816 -12.0816 -11.9988 -11.9988 -11.7281 -11.7281 -11.6932 -11.6932 -11.6833 -11.6833 -11.3714 -11.3714 -2.0712 -2.0712 -1.1179 -1.1179 3.2708 3.2708 3.3935 3.3935 3.4584 3.4584 3.7892 3.7892 4.5061 4.5061 4.5851 4.5851 5.5399 5.5399 5.9301 5.9301 6.1690 6.1690 6.7285 6.7285 6.7992 6.7992 7.4617 7.4617 7.9664 7.9664 9.1678 9.1678 9.5645 9.5645 9.6117 9.6117 9.7971 9.7971 9.8606 9.8606 11.1306 11.1306 11.1657 11.1657 11.3157 11.3157 12.2587 12.2587 13.2226 13.2226 13.8585 13.8585 k = 0.0000 0.2500-0.0000 ( 4858 PWs) bands (ev): -30.8255 -30.8255 -30.8075 -30.8075 -14.9932 -14.9932 -14.4038 -14.4038 -12.0808 -12.0808 -11.9977 -11.9977 -11.7295 -11.7295 -11.6913 -11.6913 -11.6794 -11.6794 -11.3729 -11.3729 -2.0375 -2.0375 -1.1098 -1.1098 3.2797 3.2797 3.4109 3.4109 3.4733 3.4733 3.7851 3.7851 4.4846 4.4846 4.5602 4.5602 5.5319 5.5319 5.8898 5.8898 6.1679 6.1679 6.7361 6.7361 6.7865 6.7865 7.4452 7.4452 7.9954 7.9954 9.1523 9.1523 9.5591 9.5591 9.5988 9.5988 9.7626 9.7626 9.8272 9.8272 11.0958 11.0958 11.1733 11.1733 11.3385 11.3385 12.2266 12.2266 13.2204 13.2204 13.8876 13.8876 k = 0.0000 0.2619-0.0000 ( 4852 PWs) bands (ev): -30.8248 -30.8248 -30.8074 -30.8074 -14.9865 -14.9865 -14.4213 -14.4213 -12.0797 -12.0797 -11.9969 -11.9969 -11.7308 -11.7308 -11.6910 -11.6910 -11.6734 -11.6734 -11.3747 -11.3747 -2.0028 -2.0028 -1.1023 -1.1023 3.2892 3.2892 3.4291 3.4291 3.4885 3.4885 3.7804 3.7804 4.4626 4.4626 4.5346 4.5346 5.5168 5.5168 5.8454 5.8454 6.1750 6.1750 6.7423 6.7423 6.7822 6.7822 7.4283 7.4283 8.0256 8.0256 9.1370 9.1370 9.5517 9.5517 9.5864 9.5864 9.7272 9.7272 9.7930 9.7930 11.0563 11.0563 11.1905 11.1905 11.3590 11.3590 12.1943 12.1943 13.2155 13.2155 13.9115 13.9115 k = 0.0000 0.2738-0.0000 ( 4852 PWs) bands (ev): -30.8240 -30.8240 -30.8074 -30.8074 -14.9794 -14.9794 -14.4390 -14.4390 -12.0785 -12.0785 -11.9964 -11.9964 -11.7318 -11.7318 -11.6914 -11.6914 -11.6665 -11.6665 -11.3769 -11.3769 -1.9672 -1.9672 -1.0957 -1.0957 3.2991 3.2991 3.4479 3.4479 3.5040 3.5040 3.7750 3.7750 4.4402 4.4402 4.5083 4.5083 5.4956 5.4956 5.7978 5.7978 6.1896 6.1896 6.7471 6.7471 6.7852 6.7852 7.4110 7.4110 8.0571 8.0571 9.1221 9.1221 9.5418 9.5418 9.5744 9.5744 9.6912 9.6912 9.7582 9.7582 11.0202 11.0202 11.2090 11.2090 11.3766 11.3766 12.1620 12.1620 13.2087 13.2087 13.9298 13.9298 k = 0.0000 0.2857-0.0000 ( 4850 PWs) bands (ev): -30.8233 -30.8233 -30.8073 -30.8073 -14.9719 -14.9719 -14.4569 -14.4569 -12.0771 -12.0771 -11.9961 -11.9961 -11.7327 -11.7327 -11.6922 -11.6922 -11.6591 -11.6591 -11.3796 -11.3796 -1.9307 -1.9307 -1.0900 -1.0900 3.3094 3.3094 3.4674 3.4674 3.5199 3.5199 3.7687 3.7687 4.4173 4.4173 4.4815 4.4815 5.4696 5.4696 5.7482 5.7482 6.2107 6.2107 6.7521 6.7521 6.7930 6.7930 7.3934 7.3934 8.0897 8.0897 9.1079 9.1079 9.5294 9.5294 9.5623 9.5623 9.6550 9.6550 9.7231 9.7231 10.9886 10.9886 11.2280 11.2280 11.3910 11.3910 12.1299 12.1299 13.2011 13.2011 13.9425 13.9425 k = 0.0000 0.2976-0.0000 ( 4850 PWs) bands (ev): -30.8225 -30.8225 -30.8073 -30.8073 -14.9641 -14.9641 -14.4750 -14.4750 -12.0756 -12.0756 -11.9961 -11.9961 -11.7333 -11.7333 -11.6931 -11.6931 -11.6513 -11.6513 -11.3826 -11.3826 -1.8934 -1.8934 -1.0853 -1.0853 3.3200 3.3200 3.4875 3.4875 3.5362 3.5362 3.7616 3.7616 4.3938 4.3938 4.4540 4.4540 5.4402 5.4402 5.6975 5.6975 6.2372 6.2372 6.7586 6.7586 6.8034 6.8034 7.3755 7.3755 8.1235 8.1235 9.0946 9.0946 9.5142 9.5142 9.5496 9.5496 9.6190 9.6190 9.6878 9.6878 10.9615 10.9615 11.2472 11.2472 11.4017 11.4017 12.0978 12.0978 13.1938 13.1938 13.9503 13.9503 k = 0.0000 0.3095-0.0000 ( 4850 PWs) bands (ev): -30.8217 -30.8217 -30.8073 -30.8073 -14.9559 -14.9559 -14.4932 -14.4932 -12.0738 -12.0738 -11.9965 -11.9965 -11.7338 -11.7338 -11.6942 -11.6942 -11.6431 -11.6431 -11.3862 -11.3862 -1.8555 -1.8555 -1.0819 -1.0819 3.3309 3.3309 3.5081 3.5081 3.5530 3.5530 3.7538 3.7538 4.3696 4.3696 4.4262 4.4262 5.4087 5.4087 5.6466 5.6466 6.2678 6.2678 6.7666 6.7666 6.8152 6.8152 7.3574 7.3574 8.1583 8.1583 9.0823 9.0823 9.4961 9.4961 9.5354 9.5354 9.5847 9.5847 9.6527 9.6527 10.9390 10.9390 11.2667 11.2667 11.4085 11.4085 12.0661 12.0661 13.1879 13.1879 13.9543 13.9543 k = 0.0000 0.3214-0.0000 ( 4850 PWs) bands (ev): -30.8210 -30.8210 -30.8074 -30.8074 -14.9473 -14.9473 -14.5114 -14.5114 -12.0719 -12.0719 -11.9970 -11.9970 -11.7340 -11.7340 -11.6954 -11.6954 -11.6347 -11.6347 -11.3901 -11.3901 -1.8171 -1.8171 -1.0799 -1.0799 3.3421 3.3421 3.5292 3.5292 3.5705 3.5705 3.7451 3.7451 4.3447 4.3447 4.3978 4.3978 5.3763 5.3763 5.5964 5.5964 6.3016 6.3016 6.7762 6.7762 6.8281 6.8281 7.3390 7.3390 8.1942 8.1942 9.0712 9.0712 9.4742 9.4742 9.5176 9.5176 9.5548 9.5548 9.6180 9.6180 10.9211 10.9211 11.2863 11.2863 11.4111 11.4111 12.0345 12.0345 13.1846 13.1846 13.9554 13.9554 k = 0.0000 0.3333-0.0000 ( 4854 PWs) bands (ev): -30.8202 -30.8202 -30.8074 -30.8074 -14.9382 -14.9382 -14.5297 -14.5297 -12.0699 -12.0699 -11.9979 -11.9979 -11.7341 -11.7341 -11.6967 -11.6967 -11.6261 -11.6261 -11.3945 -11.3945 -1.7783 -1.7783 -1.0793 -1.0793 3.3536 3.3536 3.5506 3.5506 3.5887 3.5887 3.7357 3.7357 4.3191 4.3191 4.3691 4.3691 5.3439 5.3439 5.5474 5.5474 6.3377 6.3377 6.7867 6.7867 6.8415 6.8415 7.3205 7.3205 8.2312 8.2312 9.0614 9.0614 9.4474 9.4474 9.4948 9.4948 9.5317 9.5317 9.5844 9.5844 10.9075 10.9075 11.3059 11.3059 11.4094 11.4094 12.0032 12.0032 13.1847 13.1847 13.9547 13.9547 k = 0.0000 0.3452-0.0000 ( 4854 PWs) bands (ev): -30.8195 -30.8195 -30.8075 -30.8075 -14.9288 -14.9288 -14.5480 -14.5480 -12.0677 -12.0677 -11.9990 -11.9990 -11.7340 -11.7340 -11.6981 -11.6981 -11.6172 -11.6172 -11.3992 -11.3992 -1.7393 -1.7393 -1.0804 -1.0804 3.3653 3.3653 3.5723 3.5723 3.6078 3.6078 3.7257 3.7257 4.2926 4.2926 4.3399 4.3399 5.3125 5.3125 5.5001 5.5001 6.3755 6.3755 6.7979 6.7979 6.8554 6.8554 7.3017 7.3017 8.2691 8.2691 9.0529 9.0529 9.4149 9.4149 9.4694 9.4694 9.5137 9.5137 9.5525 9.5525 10.8982 10.8982 11.3256 11.3256 11.4034 11.4034 11.9723 11.9723 13.1888 13.1888 13.9528 13.9528 k = 0.0000 0.3571-0.0000 ( 4850 PWs) bands (ev): -30.8187 -30.8187 -30.8076 -30.8076 -14.9190 -14.9190 -14.5662 -14.5662 -12.0653 -12.0653 -12.0003 -12.0003 -11.7337 -11.7337 -11.6996 -11.6996 -11.6081 -11.6081 -11.4044 -11.4044 -1.7001 -1.7001 -1.0832 -1.0832 3.3771 3.3771 3.5939 3.5939 3.6279 3.6279 3.7151 3.7151 4.2653 4.2653 4.3104 4.3104 5.2825 5.2825 5.4550 5.4550 6.4143 6.4143 6.8091 6.8091 6.8696 6.8696 7.2829 7.2829 8.3079 8.3079 9.0458 9.0458 9.3780 9.3780 9.4434 9.4434 9.4976 9.4976 9.5231 9.5231 10.8930 10.8930 11.3449 11.3449 11.3937 11.3937 11.9418 11.9418 13.1976 13.1976 13.9502 13.9502 k = 0.0000 0.3690-0.0000 ( 4842 PWs) bands (ev): -30.8180 -30.8180 -30.8078 -30.8078 -14.9088 -14.9088 -14.5843 -14.5843 -12.0628 -12.0628 -12.0019 -12.0019 -11.7333 -11.7333 -11.7011 -11.7011 -11.5988 -11.5988 -11.4100 -11.4100 -1.6609 -1.6609 -1.0879 -1.0879 3.3892 3.3892 3.6152 3.6152 3.6492 3.6492 3.7044 3.7044 4.2372 4.2372 4.2806 4.2806 5.2546 5.2546 5.4124 5.4124 6.4536 6.4536 6.8201 6.8201 6.8840 6.8840 7.2640 7.2640 8.3477 8.3477 9.0401 9.0401 9.3382 9.3382 9.4164 9.4164 9.4816 9.4816 9.4974 9.4974 10.8918 10.8918 11.3607 11.3607 11.3837 11.3837 11.9117 11.9117 13.2111 13.2111 13.9467 13.9467 k = 0.0000 0.3810-0.0000 ( 4832 PWs) bands (ev): -30.8173 -30.8173 -30.8079 -30.8079 -14.8981 -14.8981 -14.6023 -14.6023 -12.0602 -12.0602 -12.0037 -12.0037 -11.7326 -11.7326 -11.7027 -11.7027 -11.5894 -11.5894 -11.4160 -11.4160 -1.6219 -1.6219 -1.0945 -1.0945 3.4015 3.4015 3.6349 3.6349 3.6717 3.6717 3.6948 3.6948 4.2084 4.2084 4.2504 4.2504 5.2292 5.2292 5.3725 5.3725 6.4930 6.4930 6.8303 6.8303 6.8986 6.8986 7.2451 7.2451 8.3883 8.3883 9.0359 9.0359 9.2967 9.2967 9.3881 9.3881 9.4648 9.4648 9.4763 9.4763 10.8943 10.8943 11.3548 11.3548 11.3918 11.3918 11.8821 11.8821 13.2296 13.2296 13.9417 13.9417 k = 0.0000 0.3929-0.0000 ( 4826 PWs) bands (ev): -30.8165 -30.8165 -30.8081 -30.8081 -14.8870 -14.8870 -14.6201 -14.6201 -12.0575 -12.0575 -12.0056 -12.0056 -11.7319 -11.7319 -11.7044 -11.7044 -11.5799 -11.5799 -11.4224 -11.4224 -1.5832 -1.5832 -1.1031 -1.1031 3.4139 3.4139 3.6490 3.6490 3.6902 3.6902 3.6956 3.6956 4.1789 4.1789 4.2200 4.2200 5.2064 5.2064 5.3355 5.3355 6.5319 6.5319 6.8394 6.8394 6.9133 6.9133 7.2261 7.2261 8.4297 8.4297 9.0330 9.0330 9.2543 9.2543 9.3585 9.3585 9.4473 9.4473 9.4595 9.4595 10.9003 10.9003 11.3349 11.3349 11.4109 11.4109 11.8529 11.8529 13.2528 13.2528 13.9333 13.9333 k = 0.0000 0.4048-0.0000 ( 4828 PWs) bands (ev): -30.8158 -30.8158 -30.8083 -30.8083 -14.8755 -14.8755 -14.6377 -14.6377 -12.0546 -12.0546 -12.0078 -12.0078 -11.7310 -11.7310 -11.7061 -11.7061 -11.5703 -11.5703 -11.4292 -11.4292 -1.5450 -1.5450 -1.1138 -1.1138 3.4266 3.4266 3.6491 3.6491 3.6999 3.6999 3.7201 3.7201 4.1490 4.1490 4.1894 4.1894 5.1866 5.1866 5.3015 5.3015 6.5700 6.5700 6.8468 6.8468 6.9282 6.9282 7.2071 7.2071 8.4718 8.4718 9.0312 9.0312 9.2116 9.2116 9.3285 9.3285 9.4309 9.4309 9.4450 9.4450 10.9096 10.9096 11.3109 11.3109 11.4315 11.4315 11.8242 11.8242 13.2804 13.2804 13.9185 13.9185 k = 0.0000 0.4167-0.0000 ( 4832 PWs) bands (ev): -30.8152 -30.8152 -30.8086 -30.8086 -14.8636 -14.8636 -14.6551 -14.6551 -12.0517 -12.0517 -12.0102 -12.0102 -11.7300 -11.7300 -11.7079 -11.7079 -11.5607 -11.5607 -11.4363 -11.4363 -1.5074 -1.5074 -1.1265 -1.1265 3.4395 3.4395 3.6394 3.6394 3.7194 3.7194 3.7457 3.7457 4.1185 4.1185 4.1585 4.1585 5.1699 5.1699 5.2706 5.2706 6.6070 6.6070 6.8521 6.8521 6.9434 6.9434 7.1882 7.1882 8.5145 8.5145 9.0299 9.0299 9.1697 9.1697 9.2984 9.2984 9.4166 9.4166 9.4317 9.4317 10.9220 10.9220 11.2844 11.2844 11.4527 11.4527 11.7960 11.7960 13.3121 13.3121 13.8950 13.8950 k = 0.0000 0.4286-0.0000 ( 4832 PWs) bands (ev): -30.8145 -30.8145 -30.8088 -30.8088 -14.8512 -14.8512 -14.6722 -14.6722 -12.0488 -12.0488 -12.0127 -12.0127 -11.7289 -11.7289 -11.7096 -11.7096 -11.5511 -11.5511 -11.4437 -11.4437 -1.4706 -1.4706 -1.1415 -1.1415 3.4526 3.4526 3.6265 3.6265 3.7422 3.7422 3.7721 3.7721 4.0878 4.0878 4.1276 4.1276 5.1564 5.1564 5.2429 5.2429 6.6425 6.6425 6.8549 6.8549 6.9588 6.9588 7.1693 7.1693 8.5579 8.5579 9.0272 9.0272 9.1308 9.1308 9.2689 9.2689 9.4044 9.4044 9.4195 9.4195 10.9373 10.9373 11.2561 11.2561 11.4744 11.4744 11.7683 11.7683 13.3474 13.3474 13.8638 13.8638 k = 0.0000 0.4405-0.0000 ( 4834 PWs) bands (ev): -30.8139 -30.8139 -30.8091 -30.8091 -14.8385 -14.8385 -14.6891 -14.6891 -12.0457 -12.0457 -12.0153 -12.0153 -11.7276 -11.7276 -11.7114 -11.7114 -11.5414 -11.5414 -11.4515 -11.4515 -1.4348 -1.4348 -1.1585 -1.1585 3.4661 3.4661 3.6124 3.6124 3.7668 3.7668 3.7993 3.7993 4.0569 4.0569 4.0966 4.0966 5.1461 5.1461 5.2183 5.2183 6.6760 6.6760 6.8549 6.8549 6.9746 6.9746 7.1505 7.1505 8.6018 8.6018 9.0178 9.0178 9.1004 9.1004 9.2405 9.2405 9.3944 9.3944 9.4086 9.4086 10.9552 10.9552 11.2265 11.2265 11.4964 11.4964 11.7411 11.7411 13.3858 13.3858 13.8271 13.8271 k = 0.0000 0.4524-0.0000 ( 4836 PWs) bands (ev): -30.8133 -30.8133 -30.8095 -30.8095 -14.8253 -14.8253 -14.7056 -14.7056 -12.0426 -12.0426 -12.0181 -12.0181 -11.7263 -11.7263 -11.7132 -11.7132 -11.5318 -11.5318 -11.4596 -11.4596 -1.4000 -1.4000 -1.1777 -1.1777 3.4798 3.4798 3.5977 3.5977 3.7924 3.7924 3.8270 3.8270 4.0261 4.0261 4.0657 4.0657 5.1390 5.1390 5.1968 5.1968 6.7074 6.7074 6.8518 6.8518 6.9908 6.9908 7.1319 7.1319 8.6462 8.6462 8.9937 8.9937 9.0866 9.0866 9.2134 9.2134 9.3866 9.3866 9.3989 9.3989 10.9755 10.9755 11.1963 11.1963 11.5189 11.5189 11.7144 11.7144 13.4269 13.4269 13.7866 13.7866 k = 0.0000 0.4643-0.0000 ( 4836 PWs) bands (ev): -30.8127 -30.8127 -30.8099 -30.8099 -14.8117 -14.8117 -14.7219 -14.7219 -12.0395 -12.0395 -12.0210 -12.0210 -11.7248 -11.7248 -11.7150 -11.7150 -11.5223 -11.5223 -11.4679 -11.4679 -1.3665 -1.3665 -1.1990 -1.1990 3.4939 3.4939 3.5828 3.5828 3.8191 3.8191 3.8553 3.8553 3.9953 3.9953 4.0349 4.0349 5.1351 5.1351 5.1785 5.1785 6.7364 6.7364 6.8454 6.8454 7.0074 7.0074 7.1134 7.1134 8.6910 8.6910 8.9571 8.9571 9.0874 9.0874 9.1881 9.1881 9.3810 9.3810 9.3908 9.3908 10.9981 10.9981 11.1657 11.1657 11.5417 11.5417 11.6883 11.6883 13.4700 13.4700 13.7436 13.7436 k = 0.0000 0.4762-0.0000 ( 4832 PWs) bands (ev): -30.8122 -30.8122 -30.8103 -30.8103 -14.7977 -14.7977 -14.7378 -14.7378 -12.0363 -12.0363 -12.0239 -12.0239 -11.7233 -11.7233 -11.7167 -11.7167 -11.5128 -11.5128 -11.4765 -11.4765 -1.3344 -1.3344 -1.2224 -1.2224 3.5082 3.5082 3.5677 3.5677 3.8466 3.8466 3.8839 3.8839 3.9650 3.9650 4.0044 4.0044 5.1344 5.1344 5.1634 5.1634 6.7625 6.7625 6.8356 6.8356 7.0243 7.0243 7.0951 7.0951 8.7360 8.7360 8.9153 8.9153 9.0957 9.0957 9.1647 9.1647 9.3775 9.3775 9.3844 9.3844 11.0226 11.0226 11.1354 11.1354 11.5650 11.5650 11.6627 11.6627 13.5147 13.5147 13.6989 13.6989 k = 0.0000 0.4881-0.0000 ( 4828 PWs) bands (ev): -30.8116 -30.8116 -30.8107 -30.8107 -14.7833 -14.7833 -14.7533 -14.7533 -12.0332 -12.0332 -12.0269 -12.0269 -11.7217 -11.7217 -11.7184 -11.7184 -11.5035 -11.5035 -11.4853 -11.4853 -1.3038 -1.3038 -1.2476 -1.2476 3.5228 3.5228 3.5526 3.5526 3.8748 3.8748 3.9117 3.9117 3.9363 3.9363 3.9742 3.9742 5.1369 5.1369 5.1514 5.1514 6.7857 6.7857 6.8223 6.8223 7.0415 7.0415 7.0770 7.0770 8.7812 8.7812 8.8713 8.8713 9.1086 9.1086 9.1435 9.1435 9.3762 9.3762 9.3797 9.3797 11.0489 11.0489 11.1056 11.1056 11.5887 11.5887 11.6376 11.6376 13.5605 13.5605 13.6531 13.6531 k = 0.0000 0.5000-0.0000 ( 4840 PWs) bands (ev): -30.8112 -30.8112 -30.8112 -30.8112 -14.7685 -14.7685 -14.7685 -14.7685 -12.0301 -12.0301 -12.0301 -12.0301 -11.7201 -11.7201 -11.7201 -11.7201 -11.4944 -11.4944 -11.4944 -11.4944 -1.2748 -1.2748 -1.2748 -1.2748 3.5376 3.5376 3.5376 3.5376 3.9032 3.9032 3.9032 3.9032 3.9448 3.9448 3.9448 3.9448 5.1426 5.1426 5.1426 5.1426 6.8057 6.8057 6.8057 6.8057 7.0591 7.0591 7.0591 7.0591 8.8264 8.8264 8.8264 8.8264 9.1246 9.1246 9.1246 9.1246 9.3769 9.3769 9.3769 9.3769 11.0766 11.0766 11.0766 11.0766 11.6129 11.6129 11.6129 11.6129 13.6068 13.6068 13.6068 13.6068 k = 0.0000 0.5000-0.0000 ( 4840 PWs) bands (ev): -30.8112 -30.8112 -30.8112 -30.8112 -14.7685 -14.7685 -14.7685 -14.7685 -12.0301 -12.0301 -12.0301 -12.0301 -11.7201 -11.7201 -11.7201 -11.7201 -11.4944 -11.4944 -11.4944 -11.4944 -1.2748 -1.2748 -1.2748 -1.2748 3.5376 3.5376 3.5376 3.5376 3.9032 3.9032 3.9032 3.9032 3.9448 3.9448 3.9448 3.9448 5.1426 5.1426 5.1426 5.1426 6.8057 6.8057 6.8057 6.8057 7.0591 7.0591 7.0591 7.0591 8.8264 8.8264 8.8264 8.8264 9.1246 9.1246 9.1246 9.1246 9.3769 9.3769 9.3769 9.3769 11.0766 11.0766 11.0766 11.0766 11.6129 11.6129 11.6129 11.6129 13.6068 13.6068 13.6068 13.6068 k = 0.0119 0.5000-0.0000 ( 4836 PWs) bands (ev): -30.8111 -30.8111 -30.8111 -30.8111 -14.7689 -14.7689 -14.7683 -14.7683 -12.0331 -12.0331 -12.0271 -12.0271 -11.7215 -11.7215 -11.7190 -11.7190 -11.4981 -11.4981 -11.4902 -11.4902 -1.2743 -1.2743 -1.2741 -1.2741 3.5370 3.5370 3.5386 3.5386 3.8733 3.8733 3.8868 3.8868 3.9626 3.9626 3.9743 3.9743 5.1418 5.1418 5.1428 5.1428 6.8018 6.8018 6.8095 6.8095 7.0560 7.0560 7.0619 7.0619 8.8196 8.8196 8.8259 8.8259 9.1238 9.1238 9.1321 9.1321 9.3756 9.3756 9.3763 9.3763 11.0710 11.0710 11.0732 11.0732 11.6117 11.6117 11.6147 11.6147 13.6079 13.6079 13.6094 13.6094 k = 0.0238 0.5000-0.0000 ( 4836 PWs) bands (ev): -30.8111 -30.8111 -30.8111 -30.8111 -14.7696 -14.7696 -14.7682 -14.7682 -12.0363 -12.0363 -12.0244 -12.0244 -11.7230 -11.7230 -11.7181 -11.7181 -11.5014 -11.5014 -11.4856 -11.4856 -1.2727 -1.2727 -1.2723 -1.2723 3.5366 3.5366 3.5399 3.5399 3.8360 3.8360 3.8517 3.8517 4.0001 4.0001 4.0123 4.0123 5.1402 5.1402 5.1423 5.1423 6.7979 6.7979 6.8134 6.8134 7.0526 7.0526 7.0644 7.0644 8.8063 8.8063 8.8181 8.8181 9.1295 9.1295 9.1455 9.1455 9.3724 9.3724 9.3739 9.3739 11.0565 11.0565 11.0609 11.0609 11.6110 11.6110 11.6168 11.6168 13.6127 13.6127 13.6154 13.6154 k = 0.0357 0.5000-0.0000 ( 4832 PWs) bands (ev): -30.8110 -30.8110 -30.8110 -30.8110 -14.7705 -14.7705 -14.7684 -14.7684 -12.0396 -12.0396 -12.0218 -12.0218 -11.7247 -11.7247 -11.7176 -11.7176 -11.5041 -11.5041 -11.4808 -11.4808 -1.2699 -1.2699 -1.2693 -1.2693 3.5362 3.5362 3.5415 3.5415 3.7985 3.7985 3.8159 3.8159 4.0396 4.0396 4.0515 4.0515 5.1380 5.1380 5.1412 5.1412 6.7940 6.7940 6.8172 6.8172 7.0490 7.0490 7.0668 7.0668 8.7880 8.7880 8.8039 8.8039 9.1407 9.1407 9.1631 9.1631 9.3673 9.3673 9.3698 9.3698 11.0340 11.0340 11.0403 11.0403 11.6105 11.6105 11.6189 11.6189 13.6206 13.6206 13.6244 13.6244 k = 0.0476 0.5000-0.0000 ( 4834 PWs) bands (ev): -30.8109 -30.8109 -30.8109 -30.8109 -14.7715 -14.7715 -14.7688 -14.7688 -12.0429 -12.0429 -12.0194 -12.0194 -11.7264 -11.7264 -11.7174 -11.7174 -11.5063 -11.5063 -11.4757 -11.4757 -1.2660 -1.2660 -1.2652 -1.2652 3.5353 3.5353 3.5428 3.5428 3.7621 3.7621 3.7814 3.7814 4.0796 4.0796 4.0911 4.0911 5.1352 5.1352 5.1394 5.1394 6.7898 6.7898 6.8208 6.8208 7.0453 7.0453 7.0690 7.0690 8.7660 8.7660 8.7849 8.7849 9.1556 9.1556 9.1836 9.1836 9.3605 9.3605 9.3643 9.3643 11.0044 11.0044 11.0123 11.0123 11.6099 11.6099 11.6205 11.6205 13.6309 13.6309 13.6353 13.6353 k = 0.0595 0.5000-0.0000 ( 4840 PWs) bands (ev): -30.8108 -30.8108 -30.8108 -30.8108 -14.7728 -14.7728 -14.7694 -14.7694 -12.0464 -12.0464 -12.0172 -12.0172 -11.7283 -11.7283 -11.7175 -11.7175 -11.5079 -11.5079 -11.4704 -11.4704 -1.2609 -1.2609 -1.2600 -1.2600 3.5333 3.5333 3.5433 3.5433 3.7278 3.7278 3.7494 3.7494 4.1196 4.1196 4.1308 4.1308 5.1316 5.1316 5.1368 5.1368 6.7854 6.7854 6.8240 6.8240 7.0417 7.0417 7.0714 7.0714 8.7415 8.7415 8.7623 8.7623 9.1725 9.1725 9.2053 9.2053 9.3523 9.3523 9.3577 9.3577 10.9689 10.9689 10.9783 10.9783 11.6086 11.6086 11.6210 11.6210 13.6427 13.6427 13.6472 13.6472 k = 0.0714 0.5000-0.0000 ( 4838 PWs) bands (ev): -30.8106 -30.8106 -30.8106 -30.8106 -14.7742 -14.7742 -14.7703 -14.7703 -12.0498 -12.0498 -12.0151 -12.0151 -11.7301 -11.7301 -11.7180 -11.7180 -11.5090 -11.5090 -11.4650 -11.4650 -1.2548 -1.2548 -1.2537 -1.2537 3.5288 3.5288 3.5415 3.5415 3.6970 3.6970 3.7211 3.7211 4.1595 4.1595 4.1704 4.1704 5.1272 5.1272 5.1335 5.1335 6.7807 6.7807 6.8268 6.8268 7.0385 7.0385 7.0740 7.0740 8.7153 8.7153 8.7373 8.7373 9.1894 9.1894 9.2268 9.2268 9.3435 9.3435 9.3508 9.3508 10.9288 10.9288 10.9393 10.9393 11.6063 11.6063 11.6201 11.6201 13.6551 13.6551 13.6593 13.6593 k = 0.0833 0.5000-0.0000 ( 4846 PWs) bands (ev): -30.8105 -30.8105 -30.8105 -30.8105 -14.7759 -14.7759 -14.7713 -14.7713 -12.0533 -12.0533 -12.0134 -12.0134 -11.7320 -11.7320 -11.7188 -11.7188 -11.5094 -11.5094 -11.4596 -11.4596 -1.2475 -1.2475 -1.2462 -1.2462 3.5205 3.5205 3.5354 3.5354 3.6720 3.6720 3.6980 3.6980 4.1991 4.1991 4.2097 4.2097 5.1221 5.1221 5.1293 5.1293 6.7755 6.7755 6.8286 6.8286 7.0361 7.0361 7.0771 7.0771 8.6879 8.6879 8.7107 8.7107 9.2041 9.2041 9.2452 9.2452 9.3361 9.3361 9.3452 9.3452 10.8850 10.8850 10.8966 10.8966 11.6026 11.6026 11.6175 11.6175 13.6674 13.6674 13.6708 13.6708 k = 0.0952 0.5000-0.0000 ( 4848 PWs) bands (ev): -30.8103 -30.8103 -30.8103 -30.8103 -14.7777 -14.7777 -14.7725 -14.7725 -12.0568 -12.0568 -12.0118 -12.0118 -11.7339 -11.7339 -11.7200 -11.7200 -11.5092 -11.5092 -11.4541 -11.4541 -1.2393 -1.2393 -1.2378 -1.2378 3.5070 3.5070 3.5224 3.5224 3.6553 3.6553 3.6817 3.6817 4.2384 4.2384 4.2488 4.2488 5.1162 5.1162 5.1243 5.1243 6.7697 6.7697 6.8293 6.8293 7.0348 7.0348 7.0808 7.0808 8.6599 8.6599 8.6831 8.6831 9.2137 9.2137 9.2555 9.2555 9.3348 9.3348 9.3430 9.3430 10.8387 10.8387 10.8512 10.8512 11.5971 11.5971 11.6129 11.6129 13.6791 13.6791 13.6813 13.6813 k = 0.1071 0.5000-0.0000 ( 4852 PWs) bands (ev): -30.8100 -30.8100 -30.8100 -30.8100 -14.7797 -14.7797 -14.7740 -14.7740 -12.0602 -12.0602 -12.0104 -12.0104 -11.7357 -11.7357 -11.7214 -11.7214 -11.5085 -11.5085 -11.4486 -11.4486 -1.2299 -1.2299 -1.2283 -1.2283 3.4878 3.4878 3.5018 3.5018 3.6477 3.6477 3.6726 3.6726 4.2773 4.2773 4.2874 4.2874 5.1094 5.1094 5.1185 5.1185 6.7633 6.7633 6.8287 6.8287 7.0351 7.0351 7.0854 7.0854 8.6314 8.6314 8.6549 8.6549 9.2154 9.2154 9.2528 9.2528 9.3442 9.3442 9.3466 9.3466 10.7907 10.7907 10.8042 10.8042 11.5898 11.5898 11.6062 11.6062 13.6898 13.6898 13.6906 13.6906 k = 0.1190 0.5000-0.0000 ( 4848 PWs) bands (ev): -30.8098 -30.8098 -30.8098 -30.8098 -14.7818 -14.7818 -14.7756 -14.7756 -12.0636 -12.0636 -12.0092 -12.0092 -11.7374 -11.7374 -11.7231 -11.7231 -11.5073 -11.5073 -11.4432 -11.4432 -1.2196 -1.2196 -1.2179 -1.2179 3.4638 3.4638 3.4754 3.4754 3.6475 3.6475 3.6698 3.6698 4.3156 4.3156 4.3256 4.3256 5.1018 5.1018 5.1117 5.1117 6.7562 6.7562 6.8263 6.8263 7.0371 7.0371 7.0909 7.0909 8.6029 8.6029 8.6264 8.6264 9.2083 9.2083 9.2392 9.2392 9.3567 9.3567 9.3620 9.3620 10.7418 10.7418 10.7563 10.7563 11.5804 11.5804 11.5975 11.5975 13.6989 13.6989 13.6996 13.6996 k = 0.1310 0.5000-0.0000 ( 4860 PWs) bands (ev): -30.8095 -30.8095 -30.8095 -30.8095 -14.7841 -14.7841 -14.7774 -14.7774 -12.0669 -12.0669 -12.0083 -12.0083 -11.7391 -11.7391 -11.7251 -11.7251 -11.5056 -11.5056 -11.4379 -11.4379 -1.2084 -1.2084 -1.2065 -1.2065 3.4364 3.4364 3.4456 3.4456 3.6522 3.6522 3.6718 3.6718 4.3533 4.3533 4.3631 4.3631 5.0932 5.0932 5.1039 5.1039 6.7484 6.7484 6.8223 6.8223 7.0412 7.0412 7.0974 7.0974 8.5745 8.5745 8.5979 8.5979 9.1937 9.1937 9.2193 9.2193 9.3717 9.3717 9.3834 9.3834 10.6928 10.6928 10.7081 10.7081 11.5690 11.5690 11.5865 11.5865 13.7063 13.7063 13.7085 13.7085 k = 0.1429 0.5000-0.0000 ( 4856 PWs) bands (ev): -30.8092 -30.8092 -30.8092 -30.8092 -14.7864 -14.7864 -14.7793 -14.7793 -12.0701 -12.0701 -12.0076 -12.0076 -11.7406 -11.7406 -11.7272 -11.7272 -11.5034 -11.5034 -11.4328 -11.4328 -1.1963 -1.1963 -1.1942 -1.1942 3.4071 3.4071 3.4142 3.4142 3.6601 3.6601 3.6775 3.6775 4.3903 4.3903 4.4000 4.4000 5.0836 5.0836 5.0951 5.0951 6.7401 6.7401 6.8165 6.8165 7.0475 7.0475 7.1051 7.1051 8.5463 8.5463 8.5695 8.5695 9.1736 9.1736 9.1953 9.1953 9.3895 9.3895 9.4060 9.4060 10.6440 10.6440 10.6604 10.6604 11.5556 11.5556 11.5735 11.5735 13.7133 13.7133 13.7168 13.7168 k = 0.1548 0.5000-0.0000 ( 4848 PWs) bands (ev): -30.8089 -30.8089 -30.8089 -30.8089 -14.7890 -14.7890 -14.7814 -14.7814 -12.0731 -12.0731 -12.0071 -12.0071 -11.7421 -11.7421 -11.7294 -11.7294 -11.5009 -11.5009 -11.4278 -11.4278 -1.1833 -1.1833 -1.1811 -1.1811 3.3767 3.3767 3.3822 3.3822 3.6700 3.6700 3.6856 3.6856 4.4266 4.4266 4.4362 4.4362 5.0730 5.0730 5.0851 5.0851 6.7313 6.7313 6.8093 6.8093 7.0559 7.0559 7.1141 7.1141 8.5185 8.5185 8.5415 8.5415 9.1495 9.1495 9.1684 9.1684 9.4087 9.4087 9.4287 9.4287 10.5960 10.5960 10.6133 10.6133 11.5402 11.5402 11.5585 11.5585 13.7200 13.7200 13.7248 13.7248 k = 0.1667 0.5000-0.0000 ( 4854 PWs) bands (ev): -30.8086 -30.8086 -30.8086 -30.8086 -14.7916 -14.7916 -14.7837 -14.7837 -12.0760 -12.0760 -12.0069 -12.0069 -11.7435 -11.7435 -11.7317 -11.7317 -11.4981 -11.4981 -11.4230 -11.4230 -1.1695 -1.1695 -1.1671 -1.1671 3.3460 3.3460 3.3501 3.3501 3.6815 3.6815 3.6956 3.6956 4.4621 4.4621 4.4715 4.4715 5.0613 5.0613 5.0741 5.0741 6.7222 6.7222 6.8008 6.8008 7.0662 7.0662 7.1242 7.1242 8.4912 8.4912 8.5138 8.5138 9.1224 9.1224 9.1391 9.1391 9.4282 9.4282 9.4510 9.4510 10.5490 10.5490 10.5673 10.5673 11.5230 11.5230 11.5415 11.5415 13.7268 13.7268 13.7327 13.7327 k = 0.1786 0.5000-0.0000 ( 4850 PWs) bands (ev): -30.8082 -30.8082 -30.8082 -30.8082 -14.7943 -14.7943 -14.7861 -14.7861 -12.0787 -12.0787 -12.0069 -12.0069 -11.7447 -11.7447 -11.7341 -11.7341 -11.4950 -11.4950 -11.4184 -11.4184 -1.1550 -1.1550 -1.1525 -1.1525 3.3153 3.3153 3.3184 3.3184 3.6941 3.6941 3.7070 3.7070 4.4967 4.4967 4.5060 4.5060 5.0485 5.0485 5.0619 5.0619 6.7128 6.7128 6.7913 6.7913 7.0783 7.0783 7.1355 7.1355 8.4645 8.4645 8.4868 8.4868 9.0928 9.0928 9.1078 9.1078 9.4474 9.4474 9.4726 9.4726 10.5031 10.5031 10.5224 10.5224 11.5041 11.5041 11.5229 11.5229 13.7339 13.7339 13.7407 13.7407 k = 0.1905 0.5000-0.0000 ( 4854 PWs) bands (ev): -30.8079 -30.8079 -30.8079 -30.8079 -14.7971 -14.7971 -14.7887 -14.7887 -12.0812 -12.0812 -12.0071 -12.0071 -11.7459 -11.7459 -11.7364 -11.7364 -11.4917 -11.4917 -11.4141 -11.4141 -1.1398 -1.1398 -1.1372 -1.1372 3.2850 3.2850 3.2873 3.2873 3.7076 3.7076 3.7195 3.7195 4.5304 4.5304 4.5396 4.5396 5.0347 5.0347 5.0485 5.0485 6.7035 6.7035 6.7813 6.7813 7.0920 7.0920 7.1480 7.1480 8.4384 8.4384 8.4603 8.4603 9.0613 9.0613 9.0748 9.0748 9.4661 9.4661 9.4931 9.4931 10.4584 10.4584 10.4788 10.4788 11.4838 11.4838 11.5028 11.5028 13.7415 13.7415 13.7491 13.7491 k = 0.2024 0.5000-0.0000 ( 4850 PWs) bands (ev): -30.8075 -30.8075 -30.8075 -30.8075 -14.7999 -14.7999 -14.7913 -14.7913 -12.0835 -12.0835 -12.0075 -12.0075 -11.7469 -11.7469 -11.7387 -11.7387 -11.4882 -11.4882 -11.4101 -11.4101 -1.1240 -1.1240 -1.1214 -1.1214 3.2552 3.2552 3.2568 3.2568 3.7217 3.7217 3.7327 3.7327 4.5631 4.5631 4.5722 4.5722 5.0198 5.0198 5.0340 5.0340 6.6943 6.6943 6.7710 6.7710 7.1071 7.1071 7.1615 7.1615 8.4132 8.4132 8.4346 8.4346 9.0282 9.0282 9.0404 9.0404 9.4839 9.4839 9.5126 9.5126 10.4150 10.4150 10.4365 10.4365 11.4623 11.4623 11.4815 11.4815 13.7497 13.7497 13.7579 13.7579 k = 0.2143 0.5000-0.0000 ( 4854 PWs) bands (ev): -30.8071 -30.8071 -30.8071 -30.8071 -14.8029 -14.8029 -14.7941 -14.7941 -12.0856 -12.0856 -12.0081 -12.0081 -11.7479 -11.7479 -11.7409 -11.7409 -11.4845 -11.4845 -11.4064 -11.4064 -1.1077 -1.1077 -1.1050 -1.1050 3.2261 3.2261 3.2273 3.2273 3.7363 3.7363 3.7466 3.7466 4.5947 4.5947 4.6038 4.6038 5.0039 5.0039 5.0182 5.0182 6.6855 6.6855 6.7607 6.7607 7.1234 7.1234 7.1761 7.1761 8.3887 8.3887 8.4096 8.4096 8.9940 8.9940 9.0048 9.0048 9.5006 9.5006 9.5309 9.5309 10.3728 10.3728 10.3953 10.3953 11.4399 11.4399 11.4591 11.4591 13.7585 13.7585 13.7672 13.7672 k = 0.2262 0.5000-0.0000 ( 4858 PWs) bands (ev): -30.8067 -30.8067 -30.8067 -30.8067 -14.8058 -14.8058 -14.7969 -14.7969 -12.0875 -12.0875 -12.0089 -12.0089 -11.7488 -11.7488 -11.7430 -11.7430 -11.4808 -11.4808 -11.4029 -11.4029 -1.0910 -1.0910 -1.0882 -1.0882 3.1979 3.1979 3.1986 3.1986 3.7512 3.7512 3.7608 3.7608 4.6252 4.6252 4.6342 4.6342 4.9869 4.9869 5.0014 5.0014 6.6773 6.6773 6.7507 6.7507 7.1407 7.1407 7.1915 7.1915 8.3652 8.3652 8.3856 8.3856 8.9588 8.9588 8.9685 8.9685 9.5161 9.5161 9.5478 9.5478 10.3316 10.3316 10.3553 10.3553 11.4170 11.4170 11.4362 11.4362 13.7680 13.7680 13.7772 13.7772 k = 0.2381 0.5000-0.0000 ( 4858 PWs) bands (ev): -30.8064 -30.8064 -30.8063 -30.8063 -14.8087 -14.8087 -14.7998 -14.7998 -12.0890 -12.0890 -12.0099 -12.0099 -11.7495 -11.7495 -11.7450 -11.7450 -11.4770 -11.4770 -11.3998 -11.3998 -1.0739 -1.0739 -1.0710 -1.0710 3.1706 3.1706 3.1709 3.1709 3.7663 3.7663 3.7754 3.7754 4.6545 4.6545 4.6635 4.6635 4.9691 4.9691 4.9835 4.9835 6.6698 6.6698 6.7412 6.7412 7.1590 7.1590 7.2078 7.2078 8.3427 8.3427 8.3624 8.3624 8.9230 8.9230 8.9316 8.9316 9.5303 9.5303 9.5632 9.5632 10.2916 10.2916 10.3162 10.3162 11.3938 11.3938 11.4130 11.4130 13.7782 13.7782 13.7877 13.7877 k = 0.2500 0.5000-0.0000 ( 4854 PWs) bands (ev): -30.8060 -30.8060 -30.8060 -30.8060 -14.8117 -14.8117 -14.8028 -14.8028 -12.0903 -12.0903 -12.0111 -12.0111 -11.7502 -11.7502 -11.7468 -11.7468 -11.4731 -11.4731 -11.3970 -11.3970 -1.0565 -1.0565 -1.0535 -1.0535 3.1443 3.1443 3.1443 3.1443 3.7814 3.7814 3.7900 3.7900 4.6825 4.6825 4.6914 4.6914 4.9505 4.9505 4.9648 4.9648 6.6632 6.6632 6.7324 6.7324 7.1780 7.1780 7.2248 7.2248 8.3212 8.3212 8.3402 8.3402 8.8869 8.8869 8.8943 8.8943 9.5430 9.5430 9.5771 9.5771 10.2525 10.2525 10.2781 10.2781 11.3707 11.3707 11.3897 11.3897 13.7890 13.7890 13.7987 13.7987 k = 0.2619 0.5000-0.0000 ( 4862 PWs) bands (ev): -30.8056 -30.8056 -30.8056 -30.8056 -14.8146 -14.8146 -14.8058 -14.8058 -12.0914 -12.0914 -12.0125 -12.0125 -11.7508 -11.7508 -11.7486 -11.7486 -11.4693 -11.4693 -11.3945 -11.3945 -1.0389 -1.0389 -1.0359 -1.0359 3.1188 3.1188 3.1190 3.1190 3.7965 3.7965 3.8046 3.8046 4.7090 4.7090 4.7181 4.7181 4.9314 4.9314 4.9453 4.9453 6.6576 6.6576 6.7244 6.7244 7.1977 7.1977 7.2425 7.2425 8.3008 8.3008 8.3191 8.3191 8.8507 8.8507 8.8570 8.8570 9.5542 9.5542 9.5893 9.5893 10.2142 10.2142 10.2408 10.2408 11.3480 11.3480 11.3668 11.3668 13.8005 13.8005 13.8104 13.8104 k = 0.2738 0.5000-0.0000 ( 4860 PWs) bands (ev): -30.8052 -30.8052 -30.8052 -30.8052 -14.8175 -14.8175 -14.8088 -14.8088 -12.0922 -12.0922 -12.0140 -12.0140 -11.7514 -11.7514 -11.7501 -11.7501 -11.4654 -11.4654 -11.3923 -11.3923 -1.0212 -1.0212 -1.0183 -1.0183 3.0944 3.0944 3.0948 3.0948 3.8115 3.8115 3.8191 3.8191 4.7338 4.7338 4.7431 4.7431 4.9122 4.9122 4.9255 4.9255 6.6531 6.6531 6.7173 6.7173 7.2180 7.2180 7.2607 7.2607 8.2815 8.2815 8.2990 8.2990 8.8146 8.8146 8.8198 8.8198 9.5636 9.5636 9.5997 9.5997 10.1769 10.1769 10.2044 10.2044 11.3261 11.3261 11.3445 11.3445 13.8127 13.8127 13.8226 13.8226 k = 0.2857 0.5000-0.0000 ( 4852 PWs) bands (ev): -30.8048 -30.8048 -30.8048 -30.8048 -14.8204 -14.8204 -14.8118 -14.8118 -12.0927 -12.0927 -12.0157 -12.0157 -11.7518 -11.7518 -11.7515 -11.7515 -11.4616 -11.4616 -11.3905 -11.3905 -1.0036 -1.0036 -1.0006 -1.0006 3.0712 3.0712 3.0717 3.0717 3.8262 3.8262 3.8334 3.8334 4.7562 4.7562 4.7661 4.7661 4.8936 4.8936 4.9057 4.9057 6.6497 6.6497 6.7113 6.7113 7.2387 7.2387 7.2793 7.2793 8.2635 8.2635 8.2801 8.2801 8.7789 8.7789 8.7830 8.7830 9.5712 9.5712 9.6081 9.6081 10.1406 10.1406 10.1689 10.1689 11.3050 11.3050 11.3230 11.3230 13.8254 13.8254 13.8353 13.8353 k = 0.2976 0.5000-0.0000 ( 4850 PWs) bands (ev): -30.8044 -30.8044 -30.8044 -30.8044 -14.8232 -14.8232 -14.8147 -14.8147 -12.0929 -12.0929 -12.0175 -12.0175 -11.7527 -11.7527 -11.7523 -11.7523 -11.4578 -11.4578 -11.3889 -11.3889 -0.9860 -0.9860 -0.9831 -0.9831 3.0492 3.0492 3.0498 3.0498 3.8404 3.8404 3.8472 3.8472 4.7750 4.7750 4.7860 4.7860 4.8770 4.8770 4.8873 4.8873 6.6474 6.6474 6.7062 6.7062 7.2597 7.2597 7.2983 7.2983 8.2467 8.2467 8.2623 8.2623 8.7436 8.7436 8.7468 8.7468 9.5769 9.5769 9.6144 9.6144 10.1055 10.1055 10.1343 10.1343 11.2853 11.2853 11.3027 11.3027 13.8387 13.8387 13.8485 13.8485 k = 0.3095 0.5000-0.0000 ( 4848 PWs) bands (ev): -30.8041 -30.8041 -30.8041 -30.8041 -14.8259 -14.8259 -14.8177 -14.8177 -12.0928 -12.0928 -12.0195 -12.0195 -11.7538 -11.7538 -11.7526 -11.7526 -11.4540 -11.4540 -11.3877 -11.3877 -0.9687 -0.9687 -0.9658 -0.9658 3.0284 3.0284 3.0290 3.0290 3.8543 3.8543 3.8606 3.8606 4.7869 4.7869 4.8001 4.8001 4.8658 4.8658 4.8733 4.8733 6.6463 6.6463 6.7022 6.7022 7.2810 7.2810 7.3175 7.3175 8.2311 8.2311 8.2457 8.2457 8.7091 8.7091 8.7112 8.7112 9.5805 9.5805 9.6183 9.6183 10.0718 10.0718 10.1010 10.1010 11.2668 11.2668 11.2836 11.2836 13.8524 13.8524 13.8621 13.8621 k = 0.3214 0.5000-0.0000 ( 4844 PWs) bands (ev): -30.8037 -30.8037 -30.8037 -30.8037 -14.8285 -14.8285 -14.8206 -14.8206 -12.0925 -12.0925 -12.0217 -12.0217 -11.7547 -11.7547 -11.7530 -11.7530 -11.4503 -11.4503 -11.3868 -11.3868 -0.9516 -0.9516 -0.9488 -0.9488 3.0088 3.0088 3.0095 3.0095 3.8675 3.8675 3.8735 3.8735 4.7871 4.7871 4.8024 4.8024 4.8651 4.8651 4.8697 4.8697 6.6463 6.6463 6.6992 6.6992 7.3024 7.3024 7.3368 7.3368 8.2169 8.2169 8.2304 8.2304 8.6753 8.6753 8.6764 8.6764 9.5818 9.5818 9.6197 9.6197 10.0399 10.0399 10.0693 10.0693 11.2499 11.2499 11.2659 11.2659 13.8667 13.8667 13.8761 13.8761 k = 0.3333 0.5000-0.0000 ( 4848 PWs) bands (ev): -30.8034 -30.8034 -30.8034 -30.8034 -14.8310 -14.8310 -14.8234 -14.8234 -12.0919 -12.0919 -12.0239 -12.0239 -11.7555 -11.7555 -11.7533 -11.7533 -11.4466 -11.4466 -11.3862 -11.3862 -0.9350 -0.9350 -0.9323 -0.9323 2.9905 2.9905 2.9912 2.9912 3.8801 3.8801 3.8856 3.8856 4.7762 4.7762 4.7916 4.7916 4.8744 4.8744 4.8779 4.8779 6.6472 6.6472 6.6971 6.6971 7.3239 7.3239 7.3560 7.3560 8.2039 8.2039 8.2163 8.2163 8.6425 8.6425 8.6426 8.6426 9.5808 9.5808 9.6183 9.6183 10.0103 10.0103 10.0394 10.0394 11.2344 11.2344 11.2496 11.2496 13.8812 13.8812 13.8904 13.8904 k = 0.3452 0.5000-0.0000 ( 4848 PWs) bands (ev): -30.8030 -30.8030 -30.8030 -30.8030 -14.8334 -14.8334 -14.8262 -14.8262 -12.0911 -12.0911 -12.0263 -12.0263 -11.7561 -11.7561 -11.7536 -11.7536 -11.4430 -11.4430 -11.3859 -11.3859 -0.9190 -0.9190 -0.9163 -0.9163 2.9734 2.9734 2.9741 2.9741 3.8919 3.8919 3.8971 3.8971 4.7599 4.7599 4.7744 4.7744 4.8883 4.8883 4.8917 4.8917 6.6491 6.6491 6.6958 6.6958 7.3452 7.3452 7.3752 7.3752 8.1924 8.1924 8.2035 8.2035 8.6100 8.6100 8.6108 8.6108 9.5773 9.5773 9.6140 9.6140 9.9833 9.9833 10.0116 10.0116 11.2205 11.2205 11.2348 11.2348 13.8961 13.8961 13.9050 13.9050 k = 0.3571 0.5000-0.0000 ( 4856 PWs) bands (ev): -30.8027 -30.8027 -30.8027 -30.8027 -14.8356 -14.8356 -14.8288 -14.8288 -12.0900 -12.0900 -12.0288 -12.0288 -11.7566 -11.7566 -11.7539 -11.7539 -11.4395 -11.4395 -11.3859 -11.3859 -0.9036 -0.9036 -0.9010 -0.9010 2.9576 2.9576 2.9583 2.9583 3.9030 3.9030 3.9078 3.9078 4.7418 4.7418 4.7553 4.7553 4.9033 4.9033 4.9067 4.9067 6.6518 6.6518 6.6952 6.6952 7.3663 7.3663 7.3941 7.3941 8.1822 8.1822 8.1920 8.1920 8.5785 8.5785 8.5802 8.5802 9.5713 9.5713 9.6065 9.6065 9.9593 9.9593 9.9864 9.9864 11.2082 11.2082 11.2215 11.2215 13.9111 13.9111 13.9197 13.9197 k = 0.3690 0.5000-0.0000 ( 4856 PWs) bands (ev): -30.8024 -30.8024 -30.8024 -30.8024 -14.8377 -14.8377 -14.8313 -14.8313 -12.0887 -12.0887 -12.0313 -12.0313 -11.7570 -11.7570 -11.7541 -11.7541 -11.4360 -11.4360 -11.3862 -11.3862 -0.8889 -0.8889 -0.8865 -0.8865 2.9430 2.9430 2.9437 2.9437 3.9132 3.9132 3.9176 3.9176 4.7234 4.7234 4.7358 4.7358 4.9182 4.9182 4.9214 4.9214 6.6552 6.6552 6.6952 6.6952 7.3870 7.3870 7.4125 7.4125 8.1734 8.1734 8.1819 8.1819 8.5484 8.5484 8.5509 8.5509 9.5629 9.5629 9.5960 9.5960 9.9388 9.9388 9.9641 9.9641 11.1974 11.1974 11.2097 11.2097 13.9263 13.9263 13.9344 13.9344 k = 0.3810 0.5000-0.0000 ( 4860 PWs) bands (ev): -30.8021 -30.8021 -30.8021 -30.8021 -14.8396 -14.8396 -14.8337 -14.8337 -12.0872 -12.0872 -12.0340 -12.0340 -11.7573 -11.7573 -11.7543 -11.7543 -11.4327 -11.4327 -11.3867 -11.3867 -0.8751 -0.8751 -0.8728 -0.8728 2.9298 2.9298 2.9305 2.9305 3.9225 3.9225 3.9265 3.9265 4.7055 4.7055 4.7168 4.7168 4.9323 4.9323 4.9354 4.9354 6.6591 6.6591 6.6957 6.6957 7.4071 7.4071 7.4303 7.4303 8.1659 8.1659 8.1731 8.1731 8.5197 8.5197 8.5229 8.5229 9.5524 9.5524 9.5829 9.5829 9.9216 9.9216 9.9447 9.9447 11.1881 11.1881 11.1993 11.1993 13.9413 13.9413 13.9490 13.9490 k = 0.3929 0.5000-0.0000 ( 4860 PWs) bands (ev): -30.8019 -30.8019 -30.8019 -30.8019 -14.8413 -14.8413 -14.8359 -14.8359 -12.0855 -12.0855 -12.0367 -12.0367 -11.7575 -11.7575 -11.7546 -11.7546 -11.4294 -11.4294 -11.3875 -11.3875 -0.8622 -0.8622 -0.8601 -0.8601 2.9178 2.9178 2.9184 2.9184 3.9309 3.9309 3.9345 3.9345 4.6885 4.6885 4.6988 4.6988 4.9455 4.9455 4.9484 4.9484 6.6634 6.6634 6.6965 6.6965 7.4264 7.4264 7.4474 7.4474 8.1599 8.1599 8.1656 8.1656 8.4927 8.4927 8.4965 8.4965 9.5402 9.5402 9.5677 9.5677 9.9077 9.9077 9.9282 9.9282 11.1801 11.1801 11.1903 11.1903 13.9561 13.9561 13.9633 13.9633 k = 0.4048 0.5000-0.0000 ( 4864 PWs) bands (ev): -30.8017 -30.8017 -30.8017 -30.8017 -14.8429 -14.8429 -14.8380 -14.8380 -12.0835 -12.0835 -12.0396 -12.0396 -11.7576 -11.7576 -11.7548 -11.7548 -11.4261 -11.4261 -11.3885 -11.3885 -0.8504 -0.8504 -0.8485 -0.8485 2.9071 2.9071 2.9077 2.9077 3.9384 3.9384 3.9416 3.9416 4.6728 4.6728 4.6819 4.6819 4.9575 4.9575 4.9601 4.9601 6.6679 6.6679 6.6975 6.6975 7.4448 7.4448 7.4634 7.4634 8.1551 8.1551 8.1595 8.1595 8.4674 8.4674 8.4717 8.4717 9.5268 9.5268 9.5510 9.5510 9.8968 9.8968 9.9145 9.9145 11.1734 11.1734 11.1824 11.1824 13.9705 13.9705 13.9771 13.9771 k = 0.4167 0.5000-0.0000 ( 4868 PWs) bands (ev): -30.8015 -30.8015 -30.8015 -30.8015 -14.8442 -14.8442 -14.8399 -14.8399 -12.0814 -12.0814 -12.0424 -12.0424 -11.7577 -11.7577 -11.7550 -11.7550 -11.4230 -11.4230 -11.3897 -11.3897 -0.8397 -0.8397 -0.8380 -0.8380 2.8976 2.8976 2.8982 2.8982 3.9449 3.9449 3.9477 3.9477 4.6585 4.6585 4.6665 4.6665 4.9682 4.9682 4.9706 4.9706 6.6725 6.6725 6.6985 6.6985 7.4620 7.4620 7.4782 7.4782 8.1515 8.1515 8.1547 8.1547 8.4441 8.4441 8.4487 8.4487 9.5130 9.5130 9.5339 9.5339 9.8883 9.8883 9.9033 9.9033 11.1678 11.1678 11.1757 11.1757 13.9841 13.9841 13.9901 13.9901 k = 0.4286 0.5000-0.0000 ( 4864 PWs) bands (ev): -30.8013 -30.8013 -30.8013 -30.8013 -14.8454 -14.8454 -14.8416 -14.8416 -12.0792 -12.0792 -12.0453 -12.0453 -11.7576 -11.7576 -11.7552 -11.7552 -11.4199 -11.4199 -11.3912 -11.3912 -0.8303 -0.8303 -0.8288 -0.8288 2.8895 2.8895 2.8899 2.8899 3.9506 3.9506 3.9530 3.9530 4.6459 4.6459 4.6528 4.6528 4.9777 4.9777 4.9797 4.9797 6.6771 6.6771 6.6994 6.6994 7.4777 7.4777 7.4916 7.4916 8.1491 8.1491 8.1511 8.1511 8.4230 8.4230 8.4277 8.4277 9.4994 9.4994 9.5170 9.5170 9.8820 9.8820 9.8943 9.8943 11.1632 11.1632 11.1701 11.1701 13.9968 13.9968 14.0021 14.0021 k = 0.4405 0.5000-0.0000 ( 4868 PWs) bands (ev): -30.8011 -30.8011 -30.8011 -30.8011 -14.8463 -14.8463 -14.8432 -14.8432 -12.0768 -12.0768 -12.0483 -12.0483 -11.7576 -11.7576 -11.7555 -11.7555 -11.4169 -11.4169 -11.3928 -11.3928 -0.8221 -0.8221 -0.8209 -0.8209 2.8826 2.8826 2.8830 2.8830 3.9553 3.9553 3.9573 3.9573 4.6351 4.6351 4.6409 4.6409 4.9858 4.9858 4.9875 4.9875 6.6815 6.6815 6.7001 6.7001 7.4917 7.4917 7.5033 7.5033 8.1475 8.1475 8.1486 8.1486 8.4044 8.4044 8.4090 8.4090 9.4868 9.4868 9.5012 9.5012 9.8774 9.8774 9.8872 9.8872 11.1597 11.1597 11.1654 11.1654 14.0083 14.0083 14.0129 14.0129 k = 0.4524 0.5000-0.0000 ( 4856 PWs) bands (ev): -30.8010 -30.8010 -30.8010 -30.8010 -14.8470 -14.8470 -14.8445 -14.8445 -12.0742 -12.0742 -12.0512 -12.0512 -11.7574 -11.7574 -11.7557 -11.7557 -11.4140 -11.4140 -11.3946 -11.3946 -0.8153 -0.8153 -0.8143 -0.8143 2.8770 2.8770 2.8773 2.8773 3.9592 3.9592 3.9608 3.9608 4.6262 4.6262 4.6308 4.6308 4.9925 4.9925 4.9939 4.9939 6.6856 6.6856 6.7005 6.7005 7.5038 7.5038 7.5130 7.5130 8.1468 8.1468 8.1472 8.1472 8.3886 8.3886 8.3928 8.3928 9.4759 9.4759 9.4871 9.4871 9.8742 9.8742 9.8818 9.8818 11.1570 11.1570 11.1615 11.1615 14.0184 14.0184 14.0221 14.0221 k = 0.4643 0.5000-0.0000 ( 4848 PWs) bands (ev): -30.8009 -30.8009 -30.8009 -30.8009 -14.8475 -14.8475 -14.8456 -14.8456 -12.0715 -12.0715 -12.0542 -12.0542 -11.7572 -11.7572 -11.7559 -11.7559 -11.4112 -11.4112 -11.3965 -11.3965 -0.8099 -0.8099 -0.8092 -0.8092 2.8726 2.8726 2.8729 2.8729 3.9622 3.9622 3.9634 3.9634 4.6193 4.6193 4.6228 4.6228 4.9978 4.9978 4.9988 4.9988 6.6893 6.6893 6.7005 6.7005 7.5137 7.5137 7.5206 7.5206 8.1465 8.1465 8.1465 8.1465 8.3759 8.3759 8.3795 8.3795 9.4670 9.4670 9.4753 9.4753 9.8721 9.8721 9.8776 9.8776 11.1551 11.1551 11.1585 11.1585 14.0267 14.0267 14.0295 14.0295 k = 0.4762 0.5000-0.0000 ( 4844 PWs) bands (ev): -30.8008 -30.8008 -30.8008 -30.8008 -14.8477 -14.8477 -14.8465 -14.8465 -12.0688 -12.0688 -12.0572 -12.0572 -11.7570 -11.7570 -11.7561 -11.7561 -11.4084 -11.4084 -11.3986 -11.3986 -0.8060 -0.8060 -0.8055 -0.8055 2.8695 2.8695 2.8697 2.8697 3.9643 3.9643 3.9651 3.9651 4.6146 4.6146 4.6169 4.6169 5.0016 5.0016 5.0023 5.0023 6.6925 6.6925 6.7000 6.7000 7.5213 7.5213 7.5259 7.5259 8.1463 8.1463 8.1465 8.1465 8.3668 8.3668 8.3694 8.3694 9.4607 9.4607 9.4662 9.4662 9.8710 9.8710 9.8745 9.8745 11.1540 11.1540 11.1562 11.1562 14.0329 14.0329 14.0348 14.0348 k = 0.4881 0.5000-0.0000 ( 4832 PWs) bands (ev): -30.8008 -30.8008 -30.8008 -30.8008 -14.8478 -14.8478 -14.8471 -14.8471 -12.0659 -12.0659 -12.0601 -12.0601 -11.7568 -11.7568 -11.7564 -11.7564 -11.4058 -11.4058 -11.4009 -11.4009 -0.8036 -0.8036 -0.8034 -0.8034 2.8677 2.8677 2.8678 2.8678 3.9657 3.9657 3.9661 3.9661 4.6119 4.6119 4.6131 4.6131 5.0040 5.0040 5.0044 5.0044 6.6952 6.6952 6.6990 6.6990 7.5263 7.5263 7.5286 7.5286 8.1464 8.1464 8.1466 8.1466 8.3615 8.3615 8.3628 8.3628 9.4574 9.4574 9.4601 9.4601 9.8706 9.8706 9.8724 9.8724 11.1536 11.1536 11.1547 11.1547 14.0369 14.0369 14.0379 14.0379 k = 0.5000 0.5000-0.0000 ( 4848 PWs) bands (ev): -30.8008 -30.8008 -30.8008 -30.8008 -14.8476 -14.8476 -14.8476 -14.8476 -12.0631 -12.0631 -12.0631 -12.0631 -11.7566 -11.7566 -11.7566 -11.7566 -11.4033 -11.4033 -11.4033 -11.4033 -0.8027 -0.8027 -0.8027 -0.8027 2.8671 2.8671 2.8671 2.8671 3.9663 3.9663 3.9663 3.9663 4.6114 4.6114 4.6114 4.6114 5.0049 5.0049 5.0049 5.0049 6.6974 6.6974 6.6974 6.6974 7.5288 7.5288 7.5288 7.5288 8.1465 8.1465 8.1465 8.1465 8.3602 8.3602 8.3602 8.3602 9.4571 9.4571 9.4571 9.4571 9.8711 9.8711 9.8711 9.8711 11.1538 11.1538 11.1538 11.1538 14.0386 14.0386 14.0386 14.0386 k = 0.5000 0.5000-0.0000 ( 4848 PWs) bands (ev): -30.8008 -30.8008 -30.8008 -30.8008 -14.8476 -14.8476 -14.8476 -14.8476 -12.0631 -12.0631 -12.0631 -12.0631 -11.7566 -11.7566 -11.7566 -11.7566 -11.4033 -11.4033 -11.4033 -11.4033 -0.8027 -0.8027 -0.8027 -0.8027 2.8671 2.8671 2.8671 2.8671 3.9663 3.9663 3.9663 3.9663 4.6114 4.6114 4.6114 4.6114 5.0049 5.0049 5.0049 5.0049 6.6974 6.6974 6.6974 6.6974 7.5288 7.5288 7.5288 7.5288 8.1465 8.1465 8.1465 8.1465 8.3602 8.3602 8.3602 8.3602 9.4571 9.4571 9.4571 9.4571 9.8711 9.8711 9.8711 9.8711 11.1538 11.1538 11.1538 11.1538 14.0386 14.0386 14.0386 14.0386 k = 0.4915 0.4915-0.0000 ( 4834 PWs) bands (ev): -30.8008 -30.8008 -30.8008 -30.8008 -14.8479 -14.8479 -14.8470 -14.8470 -12.0659 -12.0659 -12.0601 -12.0601 -11.7568 -11.7568 -11.7564 -11.7564 -11.4058 -11.4058 -11.4008 -11.4008 -0.8042 -0.8042 -0.8029 -0.8029 2.8672 2.8672 2.8683 2.8683 3.9656 3.9656 3.9662 3.9662 4.6119 4.6119 4.6132 4.6132 5.0035 5.0035 5.0048 5.0048 6.6951 6.6951 6.6990 6.6990 7.5261 7.5261 7.5288 7.5288 8.1457 8.1457 8.1472 8.1472 8.3609 8.3609 8.3635 8.3635 9.4567 9.4567 9.4609 9.4609 9.8705 9.8705 9.8726 9.8726 11.1535 11.1535 11.1548 11.1548 14.0368 14.0368 14.0380 14.0380 k = 0.4831 0.4831-0.0000 ( 4842 PWs) bands (ev): -30.8009 -30.8009 -30.8008 -30.8008 -14.8484 -14.8484 -14.8458 -14.8458 -12.0688 -12.0688 -12.0571 -12.0571 -11.7571 -11.7571 -11.7561 -11.7561 -11.4085 -11.4085 -11.3986 -11.3986 -0.8084 -0.8084 -0.8033 -0.8033 2.8675 2.8675 2.8718 2.8718 3.9638 3.9638 3.9657 3.9657 4.6143 4.6143 4.6173 4.6173 4.9993 4.9993 5.0046 5.0046 6.6920 6.6920 6.7004 6.7004 7.5199 7.5199 7.5270 7.5270 8.1437 8.1437 8.1494 8.1494 8.3638 8.3638 8.3725 8.3725 9.4568 9.4568 9.4705 9.4705 9.8697 9.8697 9.8757 9.8757 11.1534 11.1534 11.1569 11.1569 14.0323 14.0323 14.0352 14.0352 k = 0.4746 0.4746-0.0000 ( 4848 PWs) bands (ev): -30.8010 -30.8010 -30.8008 -30.8008 -14.8492 -14.8492 -14.8439 -14.8439 -12.0716 -12.0716 -12.0541 -12.0541 -11.7574 -11.7574 -11.7557 -11.7557 -11.4113 -11.4113 -11.3963 -11.3963 -0.8154 -0.8154 -0.8040 -0.8040 2.8680 2.8680 2.8776 2.8776 3.9607 3.9607 3.9648 3.9648 4.6184 4.6184 4.6241 4.6241 4.9924 4.9924 5.0041 5.0041 6.6878 6.6878 6.7017 6.7017 7.5099 7.5099 7.5239 7.5239 8.1409 8.1409 8.1529 8.1529 8.3685 8.3685 8.3866 8.3866 9.4570 9.4570 9.4863 9.4863 9.8687 9.8687 9.8807 9.8807 11.1533 11.1533 11.1603 11.1603 14.0252 14.0252 14.0305 14.0305 k = 0.4661 0.4661-0.0000 ( 4856 PWs) bands (ev): -30.8011 -30.8011 -30.8008 -30.8008 -14.8503 -14.8503 -14.8412 -14.8412 -12.0744 -12.0744 -12.0510 -12.0510 -11.7578 -11.7578 -11.7553 -11.7553 -11.4144 -11.4144 -11.3942 -11.3942 -0.8252 -0.8252 -0.8050 -0.8050 2.8688 2.8688 2.8857 2.8857 3.9565 3.9565 3.9635 3.9635 4.6244 4.6244 4.6334 4.6334 4.9828 4.9828 5.0035 5.0035 6.6824 6.6824 6.7032 6.7032 7.4959 7.4959 7.5197 7.5197 8.1382 8.1382 8.1579 8.1579 8.3752 8.3752 8.4051 8.4051 9.4573 9.4573 9.5083 9.5083 9.8673 9.8673 9.8877 9.8877 11.1533 11.1533 11.1651 11.1651 14.0158 14.0158 14.0239 14.0239 k = 0.4576 0.4576-0.0000 ( 4856 PWs) bands (ev): -30.8013 -30.8013 -30.8009 -30.8009 -14.8516 -14.8516 -14.8377 -14.8377 -12.0770 -12.0770 -12.0480 -12.0480 -11.7582 -11.7582 -11.7548 -11.7548 -11.4177 -11.4177 -11.3920 -11.3920 -0.8376 -0.8376 -0.8062 -0.8062 2.8698 2.8698 2.8962 2.8962 3.9510 3.9510 3.9619 3.9619 4.6320 4.6320 4.6452 4.6452 4.9706 4.9706 5.0026 5.0026 6.6757 6.6757 6.7048 6.7048 7.4782 7.4782 7.5144 7.5144 8.1361 8.1361 8.1644 8.1644 8.3838 8.3838 8.4271 8.4271 9.4579 9.4579 9.5361 9.5361 9.8655 9.8655 9.8966 9.8966 11.1532 11.1532 11.1712 11.1712 14.0044 14.0044 14.0154 14.0154 k = 0.4492 0.4492-0.0000 ( 4860 PWs) bands (ev): -30.8016 -30.8016 -30.8010 -30.8010 -14.8533 -14.8533 -14.8334 -14.8334 -12.0796 -12.0796 -12.0449 -12.0449 -11.7587 -11.7587 -11.7542 -11.7542 -11.4211 -11.4211 -11.3899 -11.3899 -0.8528 -0.8528 -0.8078 -0.8078 2.8710 2.8710 2.9089 2.9089 3.9444 3.9444 3.9600 3.9600 4.6414 4.6414 4.6593 4.6593 4.9561 4.9561 5.0016 5.0016 6.6678 6.6678 6.7065 6.7065 7.4568 7.4568 7.5083 7.5083 8.1351 8.1351 8.1723 8.1723 8.3942 8.3942 8.4519 8.4519 9.4587 9.4587 9.5695 9.5695 9.8633 9.8633 9.9075 9.9075 11.1531 11.1531 11.1787 11.1787 13.9915 13.9915 14.0050 14.0050 k = 0.4407 0.4407-0.0000 ( 4860 PWs) bands (ev): -30.8019 -30.8019 -30.8010 -30.8010 -14.8553 -14.8553 -14.8284 -14.8284 -12.0822 -12.0822 -12.0418 -12.0418 -11.7593 -11.7593 -11.7534 -11.7534 -11.4249 -11.4249 -11.3878 -11.3878 -0.8704 -0.8704 -0.8097 -0.8097 2.8725 2.8725 2.9239 2.9239 3.9366 3.9366 3.9577 3.9577 4.6525 4.6525 4.6756 4.6756 4.9395 4.9395 5.0005 5.0005 6.6587 6.6587 6.7085 6.7085 7.4319 7.4319 7.5015 7.5015 8.1354 8.1354 8.1818 8.1818 8.4064 8.4064 8.4790 8.4790 9.4598 9.4598 9.6081 9.6081 9.8608 9.8608 9.9202 9.9202 11.1530 11.1530 11.1875 11.1875 13.9776 13.9776 13.9927 13.9927 k = 0.4322 0.4322-0.0000 ( 4860 PWs) bands (ev): -30.8023 -30.8023 -30.8011 -30.8011 -14.8576 -14.8576 -14.8226 -14.8226 -12.0846 -12.0846 -12.0387 -12.0387 -11.7599 -11.7599 -11.7526 -11.7526 -11.4289 -11.4289 -11.3857 -11.3857 -0.8906 -0.8906 -0.8120 -0.8120 2.8744 2.8744 2.9411 2.9411 3.9277 3.9277 3.9551 3.9551 4.6654 4.6654 4.6937 4.6937 4.9214 4.9214 4.9991 4.9991 6.6485 6.6485 6.7107 6.7107 7.4037 7.4037 7.4942 7.4942 8.1369 8.1369 8.1927 8.1927 8.4205 8.4205 8.5079 8.5079 9.4612 9.4612 9.6518 9.6518 9.8579 9.8579 9.9349 9.9349 11.1529 11.1529 11.1975 11.1975 13.9629 13.9629 13.9786 13.9786 k = 0.4237 0.4237-0.0000 ( 4860 PWs) bands (ev): -30.8027 -30.8027 -30.8012 -30.8012 -14.8602 -14.8602 -14.8161 -14.8161 -12.0869 -12.0869 -12.0356 -12.0356 -11.7605 -11.7605 -11.7517 -11.7517 -11.4332 -11.4332 -11.3837 -11.3837 -0.9132 -0.9132 -0.8146 -0.8146 2.8765 2.8765 2.9605 2.9605 3.9177 3.9177 3.9522 3.9522 4.6800 4.6800 4.7125 4.7125 4.9026 4.9026 4.9976 4.9976 6.6372 6.6372 6.7131 6.7131 7.3725 7.3725 7.4866 7.4866 8.1396 8.1396 8.2052 8.2052 8.4363 8.4363 8.5385 8.5385 9.4631 9.4631 9.6999 9.6999 9.8547 9.8547 9.9514 9.9514 11.1527 11.1527 11.2087 11.2087 13.9480 13.9480 13.9626 13.9626 k = 0.4153 0.4153-0.0000 ( 4862 PWs) bands (ev): -30.8031 -30.8031 -30.8013 -30.8013 -14.8630 -14.8630 -14.8089 -14.8089 -12.0892 -12.0892 -12.0325 -12.0325 -11.7612 -11.7612 -11.7507 -11.7507 -11.4377 -11.4377 -11.3816 -11.3816 -0.9381 -0.9381 -0.8176 -0.8176 2.8790 2.8790 2.9820 2.9820 3.9067 3.9067 3.9491 3.9491 4.6963 4.6963 4.7304 4.7304 4.8852 4.8852 4.9959 4.9959 6.6250 6.6250 6.7155 6.7155 7.3386 7.3386 7.4788 7.4788 8.1431 8.1431 8.2192 8.2192 8.4539 8.4539 8.5705 8.5705 9.4654 9.4654 9.7522 9.7522 9.8512 9.8512 9.9697 9.9697 11.1525 11.1525 11.2212 11.2212 13.9330 13.9331 13.9450 13.9450 k = 0.4068 0.4068-0.0000 ( 4866 PWs) bands (ev): -30.8036 -30.8036 -30.8014 -30.8014 -14.8661 -14.8661 -14.8010 -14.8010 -12.0913 -12.0913 -12.0294 -12.0294 -11.7619 -11.7619 -11.7496 -11.7496 -11.4426 -11.4426 -11.3795 -11.3795 -0.9651 -0.9651 -0.8210 -0.8210 2.8818 2.8818 3.0057 3.0057 3.8945 3.8945 3.9456 3.9456 4.7142 4.7142 4.7429 4.7429 4.8736 4.8736 4.9941 4.9941 6.6119 6.6119 6.7181 6.7181 7.3021 7.3021 7.4710 7.4710 8.1472 8.1472 8.2348 8.2348 8.4732 8.4732 8.6038 8.6038 9.4681 9.4681 9.8082 9.8082 9.8475 9.8475 9.9899 9.9899 11.1523 11.1523 11.2346 11.2346 13.9177 13.9177 13.9266 13.9266 k = 0.3983 0.3983-0.0000 ( 4872 PWs) bands (ev): -30.8041 -30.8041 -30.8016 -30.8016 -14.8695 -14.8695 -14.7924 -14.7924 -12.0934 -12.0934 -12.0264 -12.0264 -11.7626 -11.7626 -11.7484 -11.7484 -11.4478 -11.4478 -11.3774 -11.3774 -0.9942 -0.9942 -0.8248 -0.8248 2.8851 2.8851 3.0314 3.0314 3.8814 3.8814 3.9419 3.9419 4.7326 4.7326 4.7449 4.7449 4.8744 4.8744 4.9921 4.9921 6.5981 6.5981 6.7206 6.7206 7.2634 7.2634 7.4633 7.4633 8.1517 8.1517 8.2518 8.2518 8.4941 8.4941 8.6382 8.6382 9.4715 9.4715 9.8429 9.8429 9.8683 9.8683 10.0119 10.0119 11.1520 11.1520 11.2490 11.2490 13.8995 13.8995 13.9099 13.9099 k = 0.3898 0.3898-0.0000 ( 4864 PWs) bands (ev): -30.8046 -30.8046 -30.8017 -30.8017 -14.8731 -14.8731 -14.7831 -14.7831 -12.0953 -12.0953 -12.0233 -12.0233 -11.7633 -11.7633 -11.7471 -11.7471 -11.4533 -11.4533 -11.3753 -11.3753 -1.0253 -1.0253 -0.8291 -0.8291 2.8887 2.8887 3.0591 3.0591 3.8674 3.8674 3.9380 3.9380 4.7275 4.7275 4.7573 4.7573 4.8904 4.8904 4.9900 4.9900 6.5835 6.5835 6.7232 6.7232 7.2226 7.2226 7.4559 7.4559 8.1561 8.1561 8.2704 8.2704 8.5166 8.5166 8.6737 8.6737 9.4757 9.4757 9.8388 9.8388 9.9306 9.9306 10.0360 10.0360 11.1516 11.1516 11.2642 11.2642 13.8774 13.8774 13.8966 13.8966 k = 0.3814 0.3814-0.0000 ( 4858 PWs) bands (ev): -30.8052 -30.8052 -30.8018 -30.8018 -14.8769 -14.8769 -14.7731 -14.7731 -12.0971 -12.0971 -12.0203 -12.0203 -11.7639 -11.7639 -11.7458 -11.7458 -11.4590 -11.4590 -11.3733 -11.3733 -1.0581 -1.0581 -0.8338 -0.8338 2.8928 2.8928 3.0888 3.0888 3.8525 3.8525 3.9339 3.9339 4.7032 4.7032 4.7802 4.7802 4.9177 4.9177 4.9877 4.9877 6.5685 6.5685 6.7258 6.7258 7.1799 7.1799 7.4488 7.4488 8.1602 8.1602 8.2906 8.2906 8.5408 8.5408 8.7101 8.7101 9.4805 9.4805 9.8343 9.8343 9.9953 9.9953 10.0623 10.0623 11.1512 11.1512 11.2801 11.2801 13.8528 13.8528 13.8854 13.8854 k = 0.3729 0.3729-0.0000 ( 4858 PWs) bands (ev): -30.8058 -30.8058 -30.8020 -30.8020 -14.8809 -14.8809 -14.7624 -14.7624 -12.0988 -12.0988 -12.0174 -12.0174 -11.7645 -11.7645 -11.7444 -11.7444 -11.4651 -11.4651 -11.3713 -11.3713 -1.0926 -1.0926 -0.8390 -0.8390 2.8974 2.8974 3.1204 3.1204 3.8368 3.8368 3.9296 3.9296 4.6723 4.6723 4.8051 4.8051 4.9518 4.9518 4.9853 4.9853 6.5529 6.5529 6.7282 6.7282 7.1357 7.1357 7.4421 7.4421 8.1637 8.1637 8.3122 8.3122 8.5663 8.5663 8.7474 8.7474 9.4861 9.4861 9.8296 9.8296 10.0595 10.0595 10.0932 10.0932 11.1507 11.1507 11.2963 11.2963 13.8266 13.8266 13.8760 13.8760 k = 0.3644 0.3644-0.0000 ( 4856 PWs) bands (ev): -30.8065 -30.8065 -30.8021 -30.8021 -14.8852 -14.8852 -14.7512 -14.7512 -12.1004 -12.1004 -12.0146 -12.0146 -11.7651 -11.7651 -11.7429 -11.7429 -11.4715 -11.4715 -11.3693 -11.3693 -1.1286 -1.1286 -0.8447 -0.8447 2.9024 2.9024 3.1537 3.1537 3.8204 3.8204 3.9251 3.9251 4.6376 4.6376 4.8319 4.8319 4.9827 4.9827 4.9907 4.9907 6.5370 6.5370 6.7305 6.7305 7.0901 7.0901 7.4359 7.4359 8.1663 8.1663 8.3353 8.3353 8.5934 8.5934 8.7855 8.7855 9.4924 9.4924 9.8247 9.8247 10.1084 10.1084 10.1433 10.1433 11.1501 11.1501 11.3130 11.3130 13.7989 13.7989 13.8683 13.8683 k = 0.3559 0.3559-0.0000 ( 4850 PWs) bands (ev): -30.8072 -30.8072 -30.8023 -30.8023 -14.8896 -14.8896 -14.7393 -14.7393 -12.1019 -12.1019 -12.0118 -12.0118 -11.7655 -11.7655 -11.7413 -11.7413 -11.4782 -11.4782 -11.3673 -11.3673 -1.1660 -1.1660 -0.8508 -0.8508 2.9078 2.9078 3.1889 3.1889 3.8033 3.8033 3.9205 3.9205 4.6001 4.6001 4.8603 4.8603 4.9801 4.9801 5.0331 5.0331 6.5207 6.5207 6.7327 6.7327 7.0432 7.0432 7.4303 7.4303 8.1679 8.1679 8.3598 8.3598 8.6219 8.6219 8.8243 8.8243 9.4997 9.4997 9.8197 9.8197 10.1424 10.1424 10.2117 10.2117 11.1494 11.1494 11.3296 11.3296 13.7700 13.7700 13.8624 13.8624 k = 0.3475 0.3475-0.0000 ( 4844 PWs) bands (ev): -30.8079 -30.8079 -30.8025 -30.8025 -14.8942 -14.8942 -14.7268 -14.7268 -12.1032 -12.1032 -12.0091 -12.0091 -11.7659 -11.7659 -11.7398 -11.7398 -11.4851 -11.4851 -11.3654 -11.3654 -1.2047 -1.2047 -0.8575 -0.8575 2.9137 2.9137 3.2257 3.2257 3.7856 3.7856 3.9157 3.9157 4.5605 4.5605 4.8903 4.8903 4.9773 4.9773 5.0787 5.0787 6.5042 6.5042 6.7346 6.7346 6.9952 6.9952 7.4253 7.4253 8.1683 8.1683 8.3858 8.3858 8.6516 8.6516 8.8637 8.8637 9.5078 9.5078 9.8146 9.8146 10.1754 10.1754 10.2843 10.2843 11.1486 11.1486 11.3463 11.3463 13.7402 13.7402 13.8580 13.8580 k = 0.3390 0.3390-0.0000 ( 4842 PWs) bands (ev): -30.8087 -30.8087 -30.8027 -30.8027 -14.8990 -14.8990 -14.7138 -14.7138 -12.1044 -12.1044 -12.0064 -12.0064 -11.7662 -11.7662 -11.7381 -11.7381 -11.4924 -11.4924 -11.3636 -11.3636 -1.2444 -1.2444 -0.8648 -0.8648 2.9201 2.9201 3.2640 3.2640 3.7674 3.7674 3.9108 3.9108 4.5192 4.5192 4.9218 4.9218 4.9744 4.9744 5.1272 5.1272 6.4875 6.4875 6.7362 6.7362 6.9465 6.9465 7.4210 7.4210 8.1673 8.1673 8.4133 8.4133 8.6826 8.6826 8.9036 8.9036 9.5169 9.5169 9.8095 9.8095 10.2095 10.2095 10.3584 10.3584 11.1477 11.1477 11.3626 11.3626 13.7097 13.7097 13.8550 13.8550 k = 0.3305 0.3305-0.0000 ( 4846 PWs) bands (ev): -30.8094 -30.8094 -30.8028 -30.8028 -14.9040 -14.9040 -14.7002 -14.7002 -12.1055 -12.1055 -12.0039 -12.0039 -11.7664 -11.7664 -11.7365 -11.7365 -11.4999 -11.4999 -11.3618 -11.3618 -1.2851 -1.2851 -0.8725 -0.8725 2.9270 2.9270 3.3039 3.3039 3.7487 3.7487 3.9059 3.9059 4.4765 4.4765 4.9547 4.9547 4.9716 4.9716 5.1782 5.1782 6.4707 6.4707 6.7374 6.7374 6.8971 6.8971 7.4174 7.4174 8.1649 8.1649 8.4422 8.4422 8.7147 8.7147 8.9438 8.9438 9.5270 9.5270 9.8045 9.8045 10.2450 10.2450 10.4334 10.4334 11.1467 11.1467 11.3786 11.3786 13.6787 13.6787 13.8530 13.8530 k = 0.3220 0.3220-0.0000 ( 4850 PWs) bands (ev): -30.8102 -30.8102 -30.8030 -30.8030 -14.9091 -14.9091 -14.6862 -14.6862 -12.1064 -12.1064 -12.0016 -12.0016 -11.7664 -11.7664 -11.7348 -11.7348 -11.5077 -11.5077 -11.3602 -11.3602 -1.3265 -1.3265 -0.8808 -0.8808 2.9343 2.9343 3.3451 3.3451 3.7297 3.7297 3.9009 3.9009 4.4327 4.4327 4.9678 4.9678 4.9898 4.9898 5.2317 5.2317 6.4538 6.4538 6.7382 6.7382 6.8473 6.8473 7.4145 7.4145 8.1610 8.1610 8.4725 8.4725 8.7478 8.7478 8.9841 8.9841 9.5380 9.5380 9.7995 9.7995 10.2821 10.2821 10.5089 10.5089 11.1456 11.1456 11.3941 11.3941 13.6477 13.6477 13.8516 13.8516 k = 0.3136 0.3136-0.0000 ( 4854 PWs) bands (ev): -30.8111 -30.8111 -30.8032 -30.8032 -14.9143 -14.9143 -14.6716 -14.6716 -12.1073 -12.1073 -11.9993 -11.9993 -11.7664 -11.7664 -11.7331 -11.7331 -11.5157 -11.5157 -11.3586 -11.3586 -1.3687 -1.3687 -0.8896 -0.8896 2.9420 2.9420 3.3877 3.3877 3.7104 3.7104 3.8959 3.8959 4.3880 4.3880 4.9646 4.9646 5.0254 5.0254 5.2876 5.2876 6.4368 6.4368 6.7382 6.7382 6.7976 6.7976 7.4123 7.4123 8.1556 8.1556 8.5042 8.5042 8.7818 8.7818 9.0245 9.0245 9.5501 9.5501 9.7947 9.7947 10.3207 10.3207 10.5842 10.5842 11.1443 11.1443 11.4092 11.4092 13.6170 13.6170 13.8502 13.8502 k = 0.3051 0.3051-0.0000 ( 4852 PWs) bands (ev): -30.8119 -30.8119 -30.8034 -30.8034 -14.9196 -14.9196 -14.6566 -14.6566 -12.1079 -12.1079 -11.9972 -11.9972 -11.7661 -11.7661 -11.7313 -11.7313 -11.5239 -11.5239 -11.3572 -11.3572 -1.4113 -1.4113 -0.8989 -0.8989 2.9501 2.9501 3.4315 3.4315 3.6911 3.6911 3.8908 3.8908 4.3425 4.3425 4.9613 4.9613 5.0623 5.0623 5.3457 5.3457 6.4199 6.4199 6.7326 6.7326 6.7530 6.7530 7.4109 7.4109 8.1488 8.1488 8.5372 8.5372 8.8165 8.8165 9.0646 9.0646 9.5631 9.5631 9.7901 9.7901 10.3609 10.3609 10.6590 10.6590 11.1428 11.1428 11.4238 11.4238 13.5871 13.5871 13.8482 13.8482 k = 0.2966 0.2966-0.0000 ( 4848 PWs) bands (ev): -30.8127 -30.8127 -30.8037 -30.8037 -14.9250 -14.9250 -14.6412 -14.6412 -12.1084 -12.1084 -11.9952 -11.9952 -11.7657 -11.7657 -11.7296 -11.7296 -11.5323 -11.5323 -11.3559 -11.3559 -1.4543 -1.4543 -0.9087 -0.9087 2.9586 2.9586 3.4763 3.4763 3.6717 3.6717 3.8857 3.8857 4.2964 4.2964 4.9578 4.9578 5.1003 5.1003 5.4060 5.4060 6.4029 6.4029 6.6929 6.6929 6.7423 6.7423 7.4103 7.4103 8.1405 8.1405 8.5717 8.5717 8.8519 8.8519 9.1044 9.1044 9.5772 9.5772 9.7859 9.7859 10.4027 10.4027 10.7327 10.7327 11.1413 11.1413 11.4381 11.4381 13.5583 13.5583 13.8451 13.8451 k = 0.2881 0.2881-0.0000 ( 4852 PWs) bands (ev): -30.8136 -30.8136 -30.8039 -30.8039 -14.9305 -14.9305 -14.6254 -14.6254 -12.1088 -12.1088 -11.9933 -11.9933 -11.7652 -11.7652 -11.7278 -11.7278 -11.5409 -11.5409 -11.3547 -11.3547 -1.4976 -1.4976 -0.9190 -0.9190 2.9674 2.9674 3.5219 3.5219 3.6525 3.6525 3.8807 3.8807 4.2498 4.2498 4.9543 4.9543 5.1393 5.1393 5.4683 5.4683 6.3860 6.3860 6.6438 6.6438 6.7408 6.7408 7.4105 7.4105 8.1308 8.1308 8.6074 8.6074 8.8877 8.8877 9.1435 9.1435 9.5922 9.5922 9.7822 9.7822 10.4461 10.4461 10.8047 10.8047 11.1396 11.1396 11.4520 11.4520 13.5313 13.5313 13.8408 13.8408 k = 0.2797 0.2797-0.0000 ( 4840 PWs) bands (ev): -30.8145 -30.8145 -30.8041 -30.8041 -14.9360 -14.9360 -14.6092 -14.6092 -12.1090 -12.1090 -11.9917 -11.9917 -11.7644 -11.7644 -11.7261 -11.7261 -11.5496 -11.5496 -11.3537 -11.3537 -1.5410 -1.5410 -0.9297 -0.9297 2.9765 2.9765 3.5675 3.5675 3.6343 3.6343 3.8757 3.8757 4.2031 4.2031 4.9506 4.9506 5.1790 5.1790 5.5326 5.5326 6.3691 6.3691 6.5945 6.5945 6.7396 6.7396 7.4114 7.4114 8.1199 8.1199 8.6444 8.6444 8.9237 8.9237 9.1818 9.1818 9.6081 9.6081 9.7791 9.7791 10.4911 10.4911 10.8745 10.8745 11.1379 11.1379 11.4661 11.4661 13.5066 13.5066 13.8356 13.8356 k = 0.2712 0.2712-0.0000 ( 4851 PWs) bands (ev): -30.8154 -30.8154 -30.8043 -30.8043 -14.9416 -14.9416 -14.5927 -14.5927 -12.1091 -12.1091 -11.9902 -11.9902 -11.7635 -11.7635 -11.7243 -11.7243 -11.5585 -11.5585 -11.3528 -11.3528 -1.5844 -1.5844 -0.9409 -0.9409 2.9859 2.9859 3.6015 3.6015 3.6287 3.6287 3.8707 3.8707 4.1562 4.1562 4.9468 4.9468 5.2192 5.2192 5.5987 5.5987 6.3522 6.3522 6.5459 6.5459 6.7381 6.7381 7.4132 7.4132 8.1077 8.1077 8.6826 8.6826 8.9598 8.9598 9.2191 9.2191 9.6248 9.6248 9.7768 9.7768 10.5378 10.5378 10.9411 10.9411 11.1364 11.1364 11.4803 11.4803 13.4847 13.4847 13.8298 13.8298 k = 0.2627 0.2627-0.0000 ( 4847 PWs) bands (ev): -30.8163 -30.8163 -30.8045 -30.8045 -14.9472 -14.9472 -14.5759 -14.5759 -12.1091 -12.1091 -11.9889 -11.9889 -11.7625 -11.7625 -11.7226 -11.7226 -11.5674 -11.5674 -11.3521 -11.3521 -1.6276 -1.6276 -0.9525 -0.9525 2.9954 2.9954 3.5906 3.5906 3.6688 3.6688 3.8658 3.8658 4.1094 4.1094 4.9430 4.9430 5.2596 5.2596 5.6665 5.6665 6.3353 6.3353 6.4986 6.4986 6.7363 6.7363 7.4157 7.4157 8.0944 8.0944 8.7222 8.7222 8.9958 8.9958 9.2550 9.2550 9.6422 9.6422 9.7754 9.7754 10.5861 10.5861 11.0036 11.0036 11.1355 11.1355 11.4950 11.4950 13.4664 13.4664 13.8240 13.8240 k = 0.2542 0.2542-0.0000 ( 4841 PWs) bands (ev): -30.8172 -30.8172 -30.8047 -30.8047 -14.9528 -14.9528 -14.5589 -14.5589 -12.1089 -12.1089 -11.9879 -11.9879 -11.7612 -11.7612 -11.7209 -11.7209 -11.5764 -11.5764 -11.3515 -11.3515 -1.6706 -1.6706 -0.9645 -0.9645 3.0052 3.0052 3.5728 3.5728 3.7168 3.7168 3.8609 3.8609 4.0629 4.0629 4.9391 4.9391 5.3000 5.3000 5.7360 5.7360 6.3183 6.3183 6.4529 6.4529 6.7342 6.7342 7.4190 7.4190 8.0801 8.0801 8.7629 8.7629 9.0312 9.0312 9.2895 9.2895 9.6602 9.6602 9.7753 9.7753 10.6360 10.6360 11.0592 11.0592 11.1371 11.1371 11.5106 11.5106 13.4523 13.4523 13.8185 13.8185 k = 0.2458 0.2458-0.0000 ( 4845 PWs) bands (ev): -30.8181 -30.8181 -30.8050 -30.8050 -14.9584 -14.9584 -14.5418 -14.5418 -12.1086 -12.1086 -11.9870 -11.9870 -11.7598 -11.7598 -11.7192 -11.7192 -11.5855 -11.5855 -11.3512 -11.3512 -1.7132 -1.7132 -0.9768 -0.9768 3.0150 3.0150 3.5546 3.5546 3.7659 3.7659 3.8559 3.8559 4.0167 4.0167 4.9352 4.9352 5.3400 5.3400 5.8069 5.8069 6.3009 6.3009 6.4095 6.4095 6.7316 6.7316 7.4231 7.4231 8.0649 8.0649 8.8048 8.8048 9.0658 9.0658 9.3223 9.3223 9.6785 9.6785 9.7768 9.7768 10.6876 10.6876 11.0980 11.0980 11.1504 11.1504 11.5273 11.5273 13.4431 13.4431 13.8136 13.8136 k = 0.2373 0.2373-0.0000 ( 4849 PWs) bands (ev): -30.8190 -30.8190 -30.8052 -30.8052 -14.9640 -14.9640 -14.5244 -14.5244 -12.1081 -12.1081 -11.9864 -11.9864 -11.7582 -11.7582 -11.7176 -11.7176 -11.5945 -11.5945 -11.3510 -11.3510 -1.7554 -1.7554 -0.9894 -0.9894 3.0249 3.0249 3.5366 3.5366 3.8156 3.8156 3.8509 3.8509 3.9712 3.9712 4.9312 4.9312 5.3791 5.3791 5.8790 5.8790 6.2831 6.2831 6.3693 6.3693 6.7287 6.7287 7.4280 7.4280 8.0490 8.0490 8.8478 8.8478 9.0993 9.0993 9.3532 9.3532 9.6969 9.6969 9.7805 9.7805 10.7408 10.7408 11.1095 11.1095 11.1854 11.1854 11.5455 11.5455 13.4394 13.4394 13.8097 13.8097 k = 0.2288 0.2288-0.0000 ( 4837 PWs) bands (ev): -30.8199 -30.8199 -30.8054 -30.8054 -14.9695 -14.9695 -14.5070 -14.5070 -12.1075 -12.1075 -11.9860 -11.9860 -11.7565 -11.7565 -11.7160 -11.7160 -11.6034 -11.6034 -11.3509 -11.3509 -1.7969 -1.7969 -1.0022 -1.0022 3.0347 3.0347 3.5190 3.5190 3.8452 3.8452 3.8656 3.8656 3.9270 3.9270 4.9272 4.9272 5.4168 5.4168 5.9519 5.9519 6.2645 6.2645 6.3334 6.3334 6.7254 6.7254 7.4335 7.4335 8.0323 8.0323 8.8920 8.8920 9.1312 9.1312 9.3822 9.3822 9.7148 9.7148 9.7868 9.7868 10.7956 10.7956 11.1097 11.1097 11.2253 11.2253 11.5654 11.5654 13.4418 13.4418 13.8068 13.8068 k = 0.2203 0.2203-0.0000 ( 4833 PWs) bands (ev): -30.8208 -30.8208 -30.8056 -30.8056 -14.9750 -14.9750 -14.4895 -14.4895 -12.1068 -12.1068 -11.9859 -11.9859 -11.7546 -11.7546 -11.7145 -11.7145 -11.6122 -11.6122 -11.3511 -11.3511 -1.8378 -1.8378 -1.0153 -1.0153 3.0446 3.0446 3.5019 3.5019 3.8376 3.8376 3.8852 3.8852 3.9160 3.9160 4.9231 4.9231 5.4522 5.4522 6.0248 6.0248 6.2453 6.2453 6.3030 6.3030 6.7218 6.7218 7.4398 7.4398 8.0151 8.0151 8.9372 8.9372 9.1613 9.1613 9.4090 9.4090 9.7319 9.7319 9.7965 9.7965 10.8521 10.8521 11.1070 11.1070 11.2610 11.2610 11.5874 11.5874 13.4508 13.4508 13.8050 13.8050 k = 0.2119 0.2119-0.0000 ( 4837 PWs) bands (ev): -30.8216 -30.8216 -30.8058 -30.8058 -14.9804 -14.9804 -14.4720 -14.4720 -12.1060 -12.1060 -11.9861 -11.9861 -11.7526 -11.7526 -11.7130 -11.7130 -11.6209 -11.6209 -11.3515 -11.3515 -1.8779 -1.8779 -1.0285 -1.0285 3.0542 3.0542 3.4853 3.4853 3.8198 3.8198 3.8550 3.8550 3.9659 3.9659 4.9190 4.9190 5.4845 5.4845 6.0949 6.0949 6.2290 6.2290 6.2783 6.2783 6.7178 6.7178 7.4467 7.4467 7.9975 7.9975 8.9835 8.9835 9.1891 9.1891 9.4336 9.4336 9.7480 9.7480 9.8097 9.8097 10.9102 10.9102 11.1030 11.1030 11.2906 11.2906 11.6116 11.6116 13.4668 13.4668 13.8041 13.8041 k = 0.2034 0.2034-0.0000 ( 4841 PWs) bands (ev): -30.8225 -30.8225 -30.8060 -30.8060 -14.9858 -14.9858 -14.4545 -14.4545 -12.1050 -12.1050 -11.9865 -11.9865 -11.7504 -11.7504 -11.7117 -11.7117 -11.6294 -11.6294 -11.3520 -11.3520 -1.9171 -1.9171 -1.0417 -1.0417 3.0638 3.0638 3.4692 3.4692 3.7849 3.7849 3.8429 3.8429 4.0159 4.0159 4.9150 4.9150 5.5126 5.5126 6.1476 6.1476 6.2318 6.2318 6.2585 6.2585 6.7137 6.7137 7.4544 7.4544 7.9795 7.9795 9.0307 9.0307 9.2142 9.2142 9.4560 9.4560 9.7634 9.7634 9.8262 9.8262 10.9700 10.9700 11.0983 11.0983 11.3132 11.3132 11.6382 11.6382 13.4898 13.4898 13.8040 13.8040 k = 0.1949 0.1949-0.0000 ( 4843 PWs) bands (ev): -30.8234 -30.8234 -30.8063 -30.8063 -14.9910 -14.9910 -14.4371 -14.4371 -12.1040 -12.1040 -11.9873 -11.9873 -11.7482 -11.7482 -11.7104 -11.7104 -11.6377 -11.6377 -11.3527 -11.3527 -1.9553 -1.9553 -1.0551 -1.0551 3.0732 3.0732 3.4538 3.4538 3.7449 3.7449 3.8370 3.8370 4.0655 4.0655 4.9109 4.9109 5.5355 5.5355 6.1571 6.1571 6.2421 6.2421 6.2820 6.2820 6.7092 6.7092 7.4626 7.4626 7.9612 7.9612 9.0789 9.0789 9.2362 9.2362 9.4761 9.4761 9.7789 9.7789 9.8453 9.8453 11.0315 11.0315 11.0930 11.0930 11.3287 11.3287 11.6675 11.6675 13.5197 13.5197 13.7769 13.7769 k = 0.1864 0.1864-0.0000 ( 4855 PWs) bands (ev): -30.8242 -30.8242 -30.8065 -30.8065 -14.9962 -14.9962 -14.4199 -14.4199 -12.1028 -12.1028 -11.9883 -11.9883 -11.7459 -11.7459 -11.7093 -11.7093 -11.6456 -11.6456 -11.3536 -11.3536 -1.9925 -1.9925 -1.0684 -1.0684 3.0824 3.0824 3.4390 3.4390 3.7046 3.7046 3.8326 3.8326 4.1148 4.1148 4.9068 4.9068 5.5518 5.5518 6.1505 6.1505 6.2287 6.2287 6.3538 6.3538 6.7046 6.7046 7.4714 7.4714 7.9429 7.9429 9.1278 9.1278 9.2551 9.2551 9.4940 9.4940 9.7954 9.7954 9.8662 9.8662 11.0869 11.0869 11.0945 11.0945 11.3370 11.3370 11.6993 11.6993 13.5563 13.5563 13.7220 13.7220 k = 0.1780 0.1780-0.0000 ( 4851 PWs) bands (ev): -30.8250 -30.8250 -30.8067 -30.8067 -15.0012 -15.0012 -14.4028 -14.4028 -12.1015 -12.1015 -11.9896 -11.9896 -11.7435 -11.7435 -11.7083 -11.7083 -11.6530 -11.6530 -11.3546 -11.3546 -2.0286 -2.0286 -1.0816 -1.0816 3.0913 3.0913 3.4248 3.4248 3.6650 3.6650 3.8288 3.8288 4.1636 4.1636 4.9028 4.9028 5.5609 5.5609 6.1451 6.1451 6.2182 6.2182 6.4305 6.4305 6.6998 6.6998 7.4807 7.4807 7.9245 7.9245 9.1776 9.1776 9.2708 9.2708 9.5096 9.5096 9.8134 9.8134 9.8883 9.8883 11.0804 11.0804 11.1591 11.1591 11.3384 11.3384 11.7339 11.7339 13.5987 13.5987 13.6669 13.6669 k = 0.1695 0.1695-0.0000 ( 4859 PWs) bands (ev): -30.8258 -30.8258 -30.8069 -30.8069 -15.0061 -15.0061 -14.3861 -14.3861 -12.1002 -12.1002 -11.9912 -11.9912 -11.7412 -11.7412 -11.7075 -11.7075 -11.6600 -11.6600 -11.3558 -11.3558 -2.0634 -2.0634 -1.0947 -1.0947 3.0999 3.0999 3.4112 3.4112 3.6266 3.6266 3.8254 3.8254 4.2117 4.2117 4.8988 4.8988 5.5623 5.5623 6.1430 6.1430 6.2119 6.2119 6.5088 6.5088 6.6949 6.6949 7.4904 7.4904 7.9062 7.9062 9.2275 9.2275 9.2836 9.2836 9.5230 9.5230 9.8330 9.8330 9.9111 9.9111 11.0733 11.0733 11.2249 11.2249 11.3337 11.3337 11.7711 11.7711 13.6080 13.6080 13.6499 13.6499 k = 0.1610 0.1610-0.0000 ( 4855 PWs) bands (ev): -30.8266 -30.8266 -30.8071 -30.8071 -15.0108 -15.0108 -14.3696 -14.3696 -12.0987 -12.0987 -11.9930 -11.9930 -11.7388 -11.7388 -11.7070 -11.7070 -11.6663 -11.6663 -11.3571 -11.3571 -2.0970 -2.0970 -1.1076 -1.1076 3.1082 3.1082 3.3983 3.3983 3.5894 3.5894 3.8223 3.8223 4.2591 4.2591 4.8949 4.8949 5.5565 5.5565 6.1420 6.1420 6.2123 6.2123 6.5877 6.5877 6.6900 6.6900 7.5005 7.5005 7.8879 7.8879 9.2737 9.2737 9.2977 9.2977 9.5344 9.5344 9.8544 9.8544 9.9344 9.9344 11.0656 11.0656 11.2886 11.2886 11.3265 11.3265 11.8109 11.8109 13.5531 13.5531 13.7017 13.7017 k = 0.1525 0.1525-0.0000 ( 4851 PWs) bands (ev): -30.8274 -30.8274 -30.8073 -30.8073 -15.0154 -15.0154 -14.3535 -14.3535 -12.0972 -12.0972 -11.9952 -11.9952 -11.7366 -11.7366 -11.7068 -11.7068 -11.6718 -11.6718 -11.3585 -11.3585 -2.1292 -2.1292 -1.1203 -1.1203 3.1163 3.1163 3.3860 3.3860 3.5535 3.5535 3.8195 3.8195 4.3056 4.3056 4.8911 4.8911 5.5444 5.5444 6.1391 6.1391 6.2217 6.2217 6.6661 6.6661 6.6856 6.6856 7.5110 7.5110 7.8700 7.8700 9.2923 9.2923 9.3367 9.3367 9.5438 9.5438 9.8773 9.8773 9.9577 9.9577 11.0573 11.0573 11.2996 11.2996 11.3681 11.3681 11.8532 11.8532 13.4971 13.4971 13.7581 13.7581 k = 0.1441 0.1441-0.0000 ( 4847 PWs) bands (ev): -30.8281 -30.8281 -30.8074 -30.8074 -15.0198 -15.0198 -14.3378 -14.3378 -12.0956 -12.0956 -11.9976 -11.9976 -11.7346 -11.7346 -11.7070 -11.7070 -11.6764 -11.6764 -11.3600 -11.3600 -2.1601 -2.1601 -1.1326 -1.1326 3.1240 3.1240 3.3743 3.3743 3.5192 3.5192 3.8168 3.8168 4.3511 4.3511 4.8874 4.8874 5.5272 5.5272 6.1335 6.1335 6.2396 6.2396 6.6798 6.6798 6.7457 6.7457 7.5217 7.5217 7.8523 7.8523 9.2967 9.2967 9.3877 9.3877 9.5517 9.5517 9.9014 9.9014 9.9810 9.9810 11.0484 11.0484 11.2790 11.2790 11.4378 11.4378 11.8977 11.8977 13.4415 13.4415 13.8050 13.8051 k = 0.1356 0.1356-0.0000 ( 4843 PWs) bands (ev): -30.8288 -30.8288 -30.8076 -30.8076 -15.0240 -15.0240 -14.3226 -14.3226 -12.0939 -12.0939 -12.0002 -12.0002 -11.7330 -11.7330 -11.7074 -11.7074 -11.6799 -11.6799 -11.3617 -11.3617 -2.1894 -2.1894 -1.1446 -1.1446 3.1315 3.1315 3.3632 3.3632 3.4864 3.4864 3.8144 3.8144 4.3956 4.3956 4.8838 4.8838 5.5061 5.5061 6.1262 6.1262 6.2638 6.2638 6.6750 6.6750 6.8237 6.8237 7.5326 7.5326 7.8351 7.8351 9.2974 9.2974 9.4396 9.4396 9.5586 9.5586 9.9262 9.9262 10.0041 10.0041 11.0389 11.0389 11.2526 11.2526 11.5104 11.5104 11.9445 11.9445 13.3864 13.3864 13.8036 13.8036 k = 0.1271 0.1271-0.0000 ( 4837 PWs) bands (ev): -30.8295 -30.8295 -30.8078 -30.8078 -15.0280 -15.0280 -14.3079 -14.3079 -12.0921 -12.0921 -12.0031 -12.0031 -11.7320 -11.7320 -11.7079 -11.7079 -11.6824 -11.6824 -11.3634 -11.3634 -2.2173 -2.2173 -1.1562 -1.1562 3.1386 3.1386 3.3526 3.3526 3.4553 3.4553 3.8122 3.8122 4.4388 4.4388 4.8803 4.8803 5.4823 5.4823 6.1181 6.1181 6.2920 6.2920 6.6703 6.6703 6.9008 6.9008 7.5436 7.5436 7.8184 7.8184 9.2955 9.2955 9.4899 9.4899 9.5663 9.5663 9.9513 9.9513 10.0268 10.0268 11.0288 11.0288 11.2219 11.2219 11.5849 11.5849 11.9933 11.9933 13.3323 13.3323 13.7972 13.7972 k = 0.1186 0.1186-0.0000 ( 4835 PWs) bands (ev): -30.8301 -30.8301 -30.8079 -30.8079 -15.0318 -15.0318 -14.2939 -14.2939 -12.0903 -12.0903 -12.0062 -12.0062 -11.7319 -11.7319 -11.7082 -11.7082 -11.6840 -11.6840 -11.3652 -11.3652 -2.2436 -2.2436 -1.1673 -1.1673 3.1455 3.1455 3.3425 3.3425 3.4260 3.4260 3.8102 3.8102 4.4807 4.4807 4.8770 4.8770 5.4568 5.4568 6.1098 6.1098 6.3226 6.3226 6.6657 6.6657 6.9764 6.9764 7.5546 7.5546 7.8022 7.8022 9.2916 9.2916 9.5309 9.5309 9.5826 9.5826 9.9763 9.9763 10.0491 10.0491 11.0182 11.0182 11.1877 11.1877 11.6610 11.6610 12.0439 12.0439 13.2796 13.2796 13.7870 13.7870 k = 0.1102 0.1102-0.0000 ( 4835 PWs) bands (ev): -30.8307 -30.8307 -30.8081 -30.8081 -15.0354 -15.0354 -14.2805 -14.2805 -12.0885 -12.0885 -12.0095 -12.0095 -11.7326 -11.7326 -11.7080 -11.7080 -11.6849 -11.6849 -11.3670 -11.3670 -2.2683 -2.2683 -1.1779 -1.1779 3.1521 3.1521 3.3328 3.3328 3.3984 3.3984 3.8083 3.8083 4.5213 4.5213 4.8738 4.8738 5.4302 5.4302 6.1016 6.1016 6.3543 6.3543 6.6614 6.6614 7.0503 7.0503 7.5657 7.5657 7.7866 7.7866 9.2859 9.2859 9.5489 9.5489 9.6213 9.6213 10.0009 10.0009 10.0708 10.0708 11.0069 11.0069 11.1506 11.1506 11.7386 11.7386 12.0961 12.0961 13.2286 13.2286 13.7725 13.7725 k = 0.1017 0.1017-0.0000 ( 4843 PWs) bands (ev): -30.8312 -30.8312 -30.8082 -30.8082 -15.0387 -15.0387 -14.2679 -14.2679 -12.0866 -12.0866 -12.0130 -12.0130 -11.7342 -11.7342 -11.7072 -11.7072 -11.6853 -11.6853 -11.3688 -11.3688 -2.2913 -2.2913 -1.1879 -1.1879 3.1584 3.1584 3.3236 3.3236 3.3728 3.3728 3.8067 3.8067 4.5603 4.5603 4.8709 4.8709 5.4032 5.4032 6.0938 6.0938 6.3862 6.3862 6.6573 6.6573 7.1218 7.1218 7.5766 7.5766 7.7718 7.7718 9.2786 9.2786 9.5539 9.5539 9.6722 9.6722 10.0245 10.0245 10.0918 10.0918 10.9950 10.9950 11.1112 11.1112 11.8176 11.8176 12.1496 12.1496 13.1796 13.1796 13.7529 13.7529 k = 0.0932 0.0932-0.0000 ( 4845 PWs) bands (ev): -30.8318 -30.8318 -30.8084 -30.8084 -15.0418 -15.0418 -14.2560 -14.2560 -12.0847 -12.0847 -12.0165 -12.0165 -11.7363 -11.7363 -11.7059 -11.7059 -11.6854 -11.6854 -11.3706 -11.3706 -2.3126 -2.3126 -1.1973 -1.1973 3.1646 3.1646 3.3146 3.3146 3.3493 3.3493 3.8051 3.8051 4.5977 4.5977 4.8682 4.8682 5.3761 5.3761 6.0864 6.0864 6.4175 6.4175 6.6537 6.6537 7.1906 7.1906 7.5875 7.5875 7.7578 7.7578 9.2702 9.2702 9.5553 9.5553 9.7262 9.7262 10.0470 10.0470 10.1120 10.1120 10.9821 10.9821 11.0704 11.0704 11.8978 11.8978 12.2042 12.2042 13.1331 13.1331 13.7277 13.7277 k = 0.0847 0.0847-0.0000 ( 4837 PWs) bands (ev): -30.8322 -30.8322 -30.8085 -30.8085 -15.0447 -15.0447 -14.2449 -14.2449 -12.0827 -12.0827 -12.0201 -12.0201 -11.7386 -11.7386 -11.7043 -11.7043 -11.6852 -11.6852 -11.3723 -11.3723 -2.3322 -2.3322 -1.2061 -1.2061 3.1705 3.1705 3.3056 3.3056 3.3281 3.3281 3.8038 3.8038 4.6334 4.6334 4.8657 4.8657 5.3493 5.3493 6.0796 6.0796 6.4476 6.4476 6.6505 6.6505 7.2560 7.2560 7.5982 7.5982 7.7446 7.7446 9.2608 9.2608 9.5551 9.5551 9.7812 9.7812 10.0680 10.0680 10.1313 10.1313 10.9673 10.9673 11.0297 11.0297 11.9792 11.9792 12.2597 12.2597 13.0895 13.0895 13.6967 13.6967 k = 0.0763 0.0763-0.0000 ( 4829 PWs) bands (ev): -30.8327 -30.8327 -30.8086 -30.8086 -15.0473 -15.0473 -14.2347 -14.2347 -12.0807 -12.0807 -12.0237 -12.0237 -11.7409 -11.7409 -11.7026 -11.7026 -11.6850 -11.6850 -11.3740 -11.3740 -2.3500 -2.3500 -1.2141 -1.2141 3.1763 3.1763 3.2958 3.2958 3.3101 3.3101 3.8026 3.8026 4.6673 4.6673 4.8636 4.8636 5.3231 5.3231 6.0733 6.0733 6.4759 6.4759 6.6478 6.6478 7.3173 7.3173 7.6088 7.6088 7.7325 7.7325 9.2507 9.2507 9.5541 9.5541 9.8362 9.8362 10.0873 10.0873 10.1496 10.1496 10.9467 10.9467 10.9936 10.9936 12.0615 12.0615 12.3157 12.3157 13.0490 13.0490 13.6599 13.6599 k = 0.0678 0.0678-0.0000 ( 4831 PWs) bands (ev): -30.8331 -30.8331 -30.8087 -30.8087 -15.0497 -15.0497 -14.2255 -14.2255 -12.0787 -12.0787 -12.0273 -12.0273 -11.7431 -11.7431 -11.7010 -11.7010 -11.6846 -11.6846 -11.3756 -11.3756 -2.3660 -2.3660 -1.2214 -1.2214 3.1818 3.1818 3.2836 3.2836 3.2969 3.2969 3.8016 3.8016 4.6990 4.6990 4.8617 4.8617 5.2979 5.2979 6.0676 6.0676 6.5019 6.5019 6.6458 6.6458 7.3738 7.3738 7.6194 7.6194 7.7216 7.7216 9.2402 9.2402 9.5527 9.5527 9.8908 9.8908 10.1048 10.1048 10.1669 10.1669 10.9140 10.9140 10.9688 10.9688 12.1444 12.1444 12.3718 12.3718 13.0121 13.0121 13.6180 13.6180 k = 0.0593 0.0593-0.0000 ( 4827 PWs) bands (ev): -30.8334 -30.8334 -30.8088 -30.8088 -15.0518 -15.0518 -14.2172 -14.2172 -12.0766 -12.0766 -12.0308 -12.0308 -11.7452 -11.7452 -11.6993 -11.6993 -11.6842 -11.6842 -11.3771 -11.3771 -2.3802 -2.3802 -1.2279 -1.2279 3.1871 3.1871 3.2699 3.2699 3.2877 3.2877 3.8007 3.8007 4.7285 4.7285 4.8604 4.8604 5.2738 5.2738 6.0625 6.0625 6.5250 6.5250 6.6447 6.6447 7.4245 7.4245 7.6300 7.6300 7.7119 7.7119 9.2297 9.2297 9.5511 9.5511 9.9445 9.9445 10.1204 10.1204 10.1829 10.1829 10.8723 10.8723 10.9531 10.9531 12.2275 12.2275 12.4276 12.4276 12.9788 12.9788 13.5719 13.5719 k = 0.0508 0.0508-0.0000 ( 4819 PWs) bands (ev): -30.8337 -30.8337 -30.8088 -30.8088 -15.0537 -15.0537 -14.2099 -14.2099 -12.0746 -12.0746 -12.0343 -12.0343 -11.7471 -11.7471 -11.6979 -11.6979 -11.6838 -11.6838 -11.3784 -11.3784 -2.3926 -2.3926 -1.2336 -1.2336 3.1921 3.1921 3.2573 3.2573 3.2800 3.2800 3.7999 3.7999 4.7554 4.7554 4.8595 4.8595 5.2511 5.2511 6.0580 6.0580 6.5448 6.5448 6.6447 6.6447 7.4685 7.4685 7.6407 7.6407 7.7038 7.7038 9.2194 9.2194 9.5493 9.5493 9.9965 9.9965 10.1340 10.1340 10.1977 10.1977 10.8277 10.8277 10.9414 10.9414 12.3102 12.3102 12.4825 12.4825 12.9496 12.9496 13.5224 13.5224 k = 0.0424 0.0424-0.0000 ( 4821 PWs) bands (ev): -30.8340 -30.8340 -30.8089 -30.8089 -15.0552 -15.0552 -14.2037 -14.2037 -12.0725 -12.0725 -12.0376 -12.0376 -11.7487 -11.7487 -11.6966 -11.6966 -11.6835 -11.6835 -11.3796 -11.3796 -2.4031 -2.4031 -1.2385 -1.2385 3.1967 3.1967 3.2467 3.2467 3.2731 3.2731 3.7993 3.7993 4.7790 4.7790 4.8595 4.8595 5.2303 5.2303 6.0542 6.0542 6.5608 6.5608 6.6459 6.6459 7.5050 7.5050 7.6513 7.6513 7.6977 7.6977 9.2097 9.2097 9.5477 9.5477 10.0458 10.0458 10.1455 10.1455 10.2113 10.2113 10.7829 10.7829 10.9318 10.9318 12.3914 12.3914 12.5356 12.5356 12.9245 12.9245 13.4634 13.4634 k = 0.0339 0.0339-0.0000 ( 4815 PWs) bands (ev): -30.8342 -30.8342 -30.8090 -30.8090 -15.0565 -15.0565 -14.1986 -14.1986 -12.0705 -12.0705 -12.0406 -12.0406 -11.7500 -11.7500 -11.6955 -11.6955 -11.6831 -11.6831 -11.3806 -11.3806 -2.4117 -2.4117 -1.2426 -1.2426 3.2005 3.2005 3.2386 3.2386 3.2668 3.2668 3.7988 3.7988 4.7986 4.7986 4.8606 4.8606 5.2118 5.2118 6.0511 6.0511 6.5729 6.5729 6.6482 6.6482 7.5333 7.5333 7.6604 7.6604 7.6949 7.6949 9.2011 9.2011 9.5462 9.5462 10.0908 10.0908 10.1551 10.1551 10.2240 10.2240 10.7398 10.7398 10.9239 10.9239 12.4692 12.4692 12.5860 12.5860 12.9040 12.9040 13.3838 13.3838 k = 0.0254 0.0254-0.0000 ( 4817 PWs) bands (ev): -30.8344 -30.8344 -30.8090 -30.8090 -15.0575 -15.0575 -14.1945 -14.1945 -12.0686 -12.0686 -12.0433 -12.0433 -11.7510 -11.7510 -11.6947 -11.6947 -11.6828 -11.6828 -11.3814 -11.3814 -2.4184 -2.4184 -1.2457 -1.2457 3.2031 3.2031 3.2334 3.2334 3.2610 3.2610 3.7984 3.7984 4.8134 4.8134 4.8631 4.8631 5.1962 5.1962 6.0486 6.0486 6.5812 6.5812 6.6513 6.6513 7.5537 7.5537 7.6658 7.6658 7.6966 7.6966 9.1938 9.1938 9.5450 9.5450 10.1288 10.1288 10.1631 10.1631 10.2361 10.2361 10.7005 10.7005 10.9176 10.9176 12.5401 12.5401 12.6328 12.6328 12.8882 12.8882 13.3050 13.3050 k = 0.0169 0.0169-0.0000 ( 4825 PWs) bands (ev): -30.8345 -30.8345 -30.8090 -30.8090 -15.0582 -15.0582 -14.1917 -14.1917 -12.0670 -12.0670 -12.0456 -12.0456 -11.7518 -11.7518 -11.6941 -11.6941 -11.6826 -11.6826 -11.3819 -11.3819 -2.4232 -2.4232 -1.2480 -1.2480 3.2043 3.2043 3.2311 3.2311 3.2561 3.2561 3.7981 3.7981 4.8228 4.8228 4.8669 4.8669 5.1843 5.1843 6.0469 6.0469 6.5864 6.5864 6.6544 6.6544 7.5671 7.5671 7.6673 7.6673 7.7020 7.7020 9.1883 9.1883 9.5440 9.5440 10.1555 10.1555 10.1708 10.1708 10.2478 10.2478 10.6678 10.6678 10.9130 10.9130 12.5977 12.5977 12.6746 12.6746 12.8773 12.8773 13.2359 13.2359 k = 0.0085 0.0085-0.0000 ( 4815 PWs) bands (ev): -30.8346 -30.8346 -30.8091 -30.8091 -15.0586 -15.0586 -14.1899 -14.1899 -12.0658 -12.0658 -12.0471 -12.0471 -11.7522 -11.7522 -11.6936 -11.6936 -11.6825 -11.6825 -11.3823 -11.3823 -2.4261 -2.4261 -1.2493 -1.2493 3.2045 3.2045 3.2310 3.2310 3.2525 3.2525 3.7979 3.7979 4.8277 4.8277 4.8704 4.8704 5.1767 5.1767 6.0459 6.0459 6.5892 6.5892 6.6566 6.6566 7.5745 7.5745 7.6671 7.6671 7.7069 7.7069 9.1850 9.1850 9.5435 9.5435 10.1661 10.1661 10.1807 10.1807 10.2576 10.2576 10.6456 10.6456 10.9103 10.9103 12.6346 12.6346 12.7077 12.7077 12.8713 12.8713 13.1857 13.1857 k = 0.0000 0.0000 0.0000 ( 4831 PWs) bands (ev): -30.8346 -30.8346 -30.8091 -30.8091 -15.0588 -15.0588 -14.1893 -14.1893 -12.0654 -12.0654 -12.0477 -12.0477 -11.7524 -11.7524 -11.6936 -11.6936 -11.6824 -11.6824 -11.3824 -11.3824 -2.4270 -2.4270 -1.2498 -1.2498 3.2044 3.2044 3.2313 3.2313 3.2511 3.2511 3.7979 3.7979 4.8291 4.8291 4.8718 4.8718 5.1741 5.1741 6.0455 6.0455 6.5900 6.5900 6.6575 6.6575 7.5769 7.5769 7.6668 7.6668 7.7088 7.7088 9.1839 9.1839 9.5433 9.5433 10.1681 10.1681 10.1852 10.1852 10.2616 10.2616 10.6376 10.6376 10.9093 10.9093 12.6469 12.6469 12.7211 12.7211 12.8695 12.8695 13.1665 13.1665 k = 0.0000 0.0000 0.0000 ( 4831 PWs) bands (ev): -30.8346 -30.8346 -30.8091 -30.8091 -15.0588 -15.0588 -14.1893 -14.1893 -12.0654 -12.0654 -12.0477 -12.0477 -11.7524 -11.7524 -11.6936 -11.6936 -11.6824 -11.6824 -11.3824 -11.3824 -2.4270 -2.4270 -1.2498 -1.2498 3.2044 3.2044 3.2313 3.2313 3.2511 3.2511 3.7979 3.7979 4.8291 4.8291 4.8718 4.8718 5.1741 5.1741 6.0455 6.0455 6.5900 6.5900 6.6575 6.6575 7.5769 7.5769 7.6668 7.6668 7.7088 7.7088 9.1839 9.1839 9.5433 9.5433 10.1681 10.1681 10.1852 10.1852 10.2616 10.2616 10.6376 10.6376 10.9093 10.9093 12.6469 12.6469 12.7211 12.7211 12.8695 12.8695 13.1665 13.1665 k = 0.0000 0.0000 0.0121 ( 4811 PWs) bands (ev): -30.8346 -30.8346 -30.8091 -30.8091 -15.0588 -15.0588 -14.1893 -14.1893 -12.0654 -12.0654 -12.0477 -12.0477 -11.7524 -11.7524 -11.6935 -11.6935 -11.6824 -11.6824 -11.3824 -11.3824 -2.4272 -2.4272 -1.2493 -1.2493 3.2044 3.2044 3.2313 3.2313 3.2494 3.2494 3.7978 3.7978 4.8291 4.8291 4.8718 4.8718 5.1768 5.1768 6.0448 6.0448 6.5899 6.5899 6.6573 6.6573 7.5771 7.5771 7.6669 7.6669 7.7090 7.7090 9.1843 9.1843 9.5439 9.5439 10.1682 10.1682 10.1853 10.1853 10.2617 10.2617 10.6358 10.6358 10.9093 10.9093 12.6468 12.6468 12.7208 12.7208 12.8595 12.8595 13.1764 13.1764 k = 0.0000 0.0000 0.0242 ( 4803 PWs) bands (ev): -30.8346 -30.8346 -30.8091 -30.8091 -15.0588 -15.0588 -14.1893 -14.1893 -12.0654 -12.0654 -12.0477 -12.0477 -11.7523 -11.7523 -11.6935 -11.6935 -11.6824 -11.6824 -11.3823 -11.3823 -2.4279 -2.4279 -1.2479 -1.2479 3.2044 3.2044 3.2313 3.2313 3.2442 3.2442 3.7978 3.7978 4.8292 4.8292 4.8719 4.8719 5.1848 5.1848 6.0425 6.0425 6.5895 6.5895 6.6569 6.6569 7.5775 7.5775 7.6671 7.6671 7.7093 7.7093 9.1858 9.1858 9.5457 9.5457 10.1682 10.1682 10.1855 10.1855 10.2618 10.2618 10.6306 10.6306 10.9093 10.9093 12.6462 12.6462 12.7196 12.7196 12.8331 12.8331 13.2024 13.2024 k = 0.0000 0.0000 0.0363 ( 4811 PWs) bands (ev): -30.8346 -30.8346 -30.8091 -30.8091 -15.0588 -15.0588 -14.1893 -14.1893 -12.0654 -12.0654 -12.0476 -12.0476 -11.7523 -11.7523 -11.6935 -11.6935 -11.6826 -11.6826 -11.3822 -11.3822 -2.4290 -2.4290 -1.2456 -1.2456 3.2044 3.2044 3.2313 3.2313 3.2359 3.2359 3.7976 3.7976 4.8293 4.8293 4.8720 4.8720 5.1980 5.1980 6.0386 6.0386 6.5888 6.5888 6.6563 6.6563 7.5782 7.5782 7.6672 7.6672 7.7099 7.7099 9.1880 9.1880 9.5487 9.5487 10.1682 10.1682 10.1856 10.1856 10.2619 10.2619 10.6220 10.6220 10.9093 10.9093 12.6452 12.6452 12.7171 12.7171 12.7970 12.7970 13.2384 13.2384 k = 0.0000 0.0000 0.0484 ( 4807 PWs) bands (ev): -30.8346 -30.8346 -30.8091 -30.8091 -15.0588 -15.0588 -14.1893 -14.1893 -12.0655 -12.0655 -12.0476 -12.0476 -11.7523 -11.7523 -11.6935 -11.6935 -11.6827 -11.6827 -11.3820 -11.3820 -2.4306 -2.4306 -1.2425 -1.2425 3.2044 3.2044 3.2246 3.2246 3.2312 3.2312 3.7975 3.7975 4.8295 4.8295 4.8722 4.8722 5.2160 5.2160 6.0332 6.0332 6.5879 6.5879 6.6554 6.6554 7.5791 7.5791 7.6673 7.6673 7.7107 7.7107 9.1912 9.1912 9.5528 9.5528 10.1682 10.1682 10.1859 10.1859 10.2621 10.2621 10.6104 10.6104 10.9093 10.9093 12.6439 12.6439 12.7111 12.7111 12.7585 12.7585 13.2793 13.2793 k = 0.0000 0.0000 0.0605 ( 4831 PWs) bands (ev): -30.8346 -30.8346 -30.8091 -30.8091 -15.0588 -15.0588 -14.1894 -14.1894 -12.0656 -12.0656 -12.0477 -12.0477 -11.7524 -11.7524 -11.6935 -11.6935 -11.6829 -11.6829 -11.3819 -11.3819 -2.4324 -2.4324 -1.2387 -1.2387 3.2043 3.2043 3.2108 3.2108 3.2312 3.2312 3.7973 3.7973 4.8296 4.8296 4.8724 4.8724 5.2384 5.2384 6.0262 6.0262 6.5866 6.5866 6.6542 6.6542 7.5802 7.5802 7.6675 7.6675 7.7116 7.7116 9.1952 9.1952 9.5580 9.5580 10.1683 10.1683 10.1862 10.1862 10.2623 10.2623 10.5960 10.5960 10.9092 10.9092 12.6421 12.6421 12.6907 12.6907 12.7315 12.7315 13.3222 13.3222 k = 0.0000 0.0000 0.0726 ( 4835 PWs) bands (ev): -30.8346 -30.8346 -30.8091 -30.8091 -15.0588 -15.0588 -14.1894 -14.1894 -12.0657 -12.0657 -12.0477 -12.0477 -11.7524 -11.7524 -11.6936 -11.6936 -11.6830 -11.6830 -11.3816 -11.3816 -2.4346 -2.4346 -1.2342 -1.2342 3.1951 3.1951 3.2043 3.2043 3.2312 3.2312 3.7970 3.7970 4.8299 4.8299 4.8726 4.8726 5.2646 5.2646 6.0176 6.0176 6.5853 6.5853 6.6530 6.6530 7.5815 7.5815 7.6676 7.6676 7.7127 7.7127 9.1999 9.1999 9.5642 9.5642 10.1683 10.1683 10.1865 10.1865 10.2625 10.2625 10.5794 10.5794 10.9092 10.9092 12.6402 12.6402 12.6516 12.6516 12.7223 12.7223 13.3653 13.3653 k = 0.0000 0.0000 0.0847 ( 4819 PWs) bands (ev): -30.8346 -30.8346 -30.8091 -30.8091 -15.0588 -15.0588 -14.1893 -14.1893 -12.0657 -12.0657 -12.0476 -12.0476 -11.7524 -11.7524 -11.6935 -11.6935 -11.6832 -11.6832 -11.3813 -11.3813 -2.4370 -2.4370 -1.2292 -1.2292 3.1778 3.1778 3.2043 3.2043 3.2312 3.2312 3.7969 3.7969 4.8301 4.8301 4.8729 4.8729 5.2943 5.2943 6.0073 6.0073 6.5839 6.5839 6.6517 6.6517 7.5830 7.5830 7.6678 7.6678 7.7140 7.7140 9.2052 9.2052 9.5713 9.5713 10.1683 10.1683 10.1869 10.1869 10.2628 10.2628 10.5608 10.5608 10.9092 10.9092 12.6079 12.6079 12.6382 12.6382 12.7180 12.7180 13.4075 13.4075 k = 0.0000 0.0000 0.0967 ( 4827 PWs) bands (ev): -30.8346 -30.8346 -30.8091 -30.8091 -15.0587 -15.0587 -14.1894 -14.1894 -12.0658 -12.0658 -12.0476 -12.0476 -11.7524 -11.7524 -11.6936 -11.6936 -11.6834 -11.6834 -11.3811 -11.3811 -2.4395 -2.4395 -1.2239 -1.2239 3.1595 3.1595 3.2043 3.2043 3.2312 3.2312 3.7966 3.7966 4.8304 4.8304 4.8731 4.8731 5.3267 5.3267 5.9954 5.9954 6.5822 6.5822 6.6501 6.6501 7.5845 7.5845 7.6680 7.6680 7.7153 7.7153 9.2109 9.2109 9.5791 9.5791 10.1683 10.1683 10.1873 10.1873 10.2631 10.2631 10.5409 10.5409 10.9092 10.9092 12.5643 12.5643 12.6359 12.6359 12.7147 12.7147 13.4481 13.4481 k = 0.0000 0.0000 0.1088 ( 4831 PWs) bands (ev): -30.8346 -30.8346 -30.8091 -30.8091 -15.0587 -15.0587 -14.1894 -14.1894 -12.0659 -12.0659 -12.0476 -12.0476 -11.7524 -11.7524 -11.6936 -11.6936 -11.6836 -11.6836 -11.3808 -11.3808 -2.4422 -2.4422 -1.2183 -1.2183 3.1409 3.1409 3.2043 3.2043 3.2312 3.2312 3.7963 3.7963 4.8307 4.8307 4.8734 4.8734 5.3615 5.3615 5.9817 5.9817 6.5805 6.5805 6.6485 6.6485 7.5861 7.5861 7.6682 7.6682 7.7168 7.7168 9.2168 9.2168 9.5876 9.5876 10.1683 10.1683 10.1877 10.1877 10.2634 10.2634 10.5201 10.5201 10.9092 10.9092 12.5222 12.5222 12.6335 12.6335 12.7118 12.7118 13.4865 13.4865 k = 0.0000 0.0000 0.1209 ( 4823 PWs) bands (ev): -30.8346 -30.8346 -30.8091 -30.8091 -15.0587 -15.0587 -14.1894 -14.1894 -12.0659 -12.0659 -12.0476 -12.0476 -11.7524 -11.7524 -11.6935 -11.6935 -11.6837 -11.6837 -11.3806 -11.3806 -2.4448 -2.4448 -1.2126 -1.2126 3.1223 3.1223 3.2043 3.2043 3.2312 3.2312 3.7961 3.7961 4.8309 4.8309 4.8737 4.8737 5.3979 5.3979 5.9662 5.9662 6.5789 6.5789 6.6469 6.6469 7.5878 7.5878 7.6685 7.6685 7.7182 7.7182 9.2229 9.2229 9.5965 9.5965 10.1684 10.1684 10.1882 10.1882 10.2637 10.2637 10.4989 10.4989 10.9092 10.9092 12.4825 12.4825 12.6312 12.6312 12.7090 12.7090 13.5223 13.5223 k = 0.0000 0.0000 0.1330 ( 4847 PWs) bands (ev): -30.8346 -30.8346 -30.8091 -30.8091 -15.0587 -15.0587 -14.1894 -14.1894 -12.0661 -12.0661 -12.0476 -12.0476 -11.7524 -11.7524 -11.6936 -11.6936 -11.6839 -11.6839 -11.3803 -11.3803 -2.4474 -2.4474 -1.2071 -1.2071 3.1043 3.1043 3.2042 3.2042 3.2311 3.2311 3.7958 3.7958 4.8312 4.8312 4.8740 4.8740 5.4355 5.4355 5.9489 5.9489 6.5772 6.5772 6.6454 6.6454 7.5894 7.5894 7.6686 7.6686 7.7197 7.7197 9.2288 9.2288 9.6057 9.6057 10.1684 10.1684 10.1886 10.1886 10.2640 10.2640 10.4779 10.4779 10.9090 10.9090 12.4456 12.4456 12.6289 12.6289 12.7063 12.7063 13.5550 13.5550 k = 0.0000 0.0000 0.1451 ( 4863 PWs) bands (ev): -30.8346 -30.8346 -30.8091 -30.8091 -15.0587 -15.0587 -14.1894 -14.1894 -12.0662 -12.0662 -12.0476 -12.0476 -11.7524 -11.7524 -11.6937 -11.6937 -11.6841 -11.6841 -11.3801 -11.3801 -2.4499 -2.4499 -1.2018 -1.2018 3.0872 3.0872 3.2042 3.2042 3.2311 3.2311 3.7955 3.7955 4.8315 4.8315 4.8743 4.8743 5.4737 5.4737 5.9299 5.9299 6.5756 6.5756 6.6439 6.6439 7.5910 7.5910 7.6688 7.6688 7.7211 7.7211 9.2347 9.2347 9.6147 9.6147 10.1684 10.1684 10.1889 10.1889 10.2642 10.2642 10.4577 10.4577 10.9090 10.9090 12.4120 12.4120 12.6266 12.6266 12.7038 12.7038 13.5845 13.5845 k = 0.0000 0.0000 0.1572 ( 4867 PWs) bands (ev): -30.8346 -30.8346 -30.8091 -30.8091 -15.0587 -15.0587 -14.1894 -14.1894 -12.0662 -12.0662 -12.0476 -12.0476 -11.7524 -11.7524 -11.6937 -11.6937 -11.6843 -11.6843 -11.3799 -11.3799 -2.4522 -2.4522 -1.1968 -1.1968 3.0717 3.0717 3.2042 3.2042 3.2311 3.2311 3.7953 3.7953 4.8318 4.8318 4.8745 4.8745 5.5122 5.5122 5.9091 5.9091 6.5741 6.5741 6.6425 6.6425 7.5924 7.5924 7.6689 7.6689 7.7223 7.7223 9.2402 9.2402 9.6235 9.6235 10.1684 10.1684 10.1893 10.1893 10.2645 10.2645 10.4388 10.4388 10.9089 10.9089 12.3822 12.3822 12.6246 12.6246 12.7015 12.7015 13.6106 13.6106 k = 0.0000 0.0000 0.1693 ( 4871 PWs) bands (ev): -30.8346 -30.8346 -30.8091 -30.8091 -15.0587 -15.0587 -14.1894 -14.1894 -12.0663 -12.0663 -12.0476 -12.0476 -11.7524 -11.7524 -11.6937 -11.6937 -11.6844 -11.6844 -11.3797 -11.3797 -2.4542 -2.4542 -1.1924 -1.1924 3.0579 3.0579 3.2042 3.2042 3.2310 3.2310 3.7950 3.7950 4.8320 4.8320 4.8748 4.8748 5.5503 5.5503 5.8865 5.8865 6.5727 6.5727 6.6412 6.6412 7.5937 7.5937 7.6690 7.6690 7.7235 7.7235 9.2451 9.2451 9.6317 9.6317 10.1684 10.1684 10.1897 10.1897 10.2648 10.2648 10.4216 10.4216 10.9089 10.9089 12.3563 12.3563 12.6227 12.6227 12.6994 12.6994 13.6330 13.6330 k = 0.0000 0.0000 0.1814 ( 4872 PWs) bands (ev): -30.8346 -30.8346 -30.8091 -30.8091 -15.0587 -15.0587 -14.1894 -14.1894 -12.0663 -12.0663 -12.0476 -12.0476 -11.7524 -11.7524 -11.6937 -11.6937 -11.6846 -11.6846 -11.3795 -11.3795 -2.4560 -2.4560 -1.1886 -1.1886 3.0462 3.0462 3.2041 3.2041 3.2310 3.2310 3.7949 3.7949 4.8322 4.8322 4.8749 4.8749 5.5877 5.5877 5.8624 5.8624 6.5716 6.5716 6.6401 6.6401 7.5948 7.5948 7.6691 7.6691 7.7245 7.7245 9.2494 9.2494 9.6390 9.6390 10.1684 10.1684 10.1900 10.1900 10.2650 10.2650 10.4068 10.4068 10.9089 10.9089 12.3348 12.3348 12.6211 12.6211 12.6977 12.6977 13.6515 13.6515 k = 0.0000 0.0000 0.1935 ( 4884 PWs) bands (ev): -30.8346 -30.8346 -30.8091 -30.8091 -15.0587 -15.0587 -14.1894 -14.1894 -12.0664 -12.0664 -12.0476 -12.0476 -11.7525 -11.7525 -11.6937 -11.6937 -11.6847 -11.6847 -11.3794 -11.3794 -2.4574 -2.4574 -1.1856 -1.1856 3.0369 3.0369 3.2041 3.2041 3.2310 3.2310 3.7947 3.7947 4.8323 4.8323 4.8751 4.8751 5.6237 5.6237 5.8371 5.8371 6.5707 6.5707 6.6393 6.6393 7.5956 7.5956 7.6692 7.6692 7.7253 7.7253 9.2529 9.2529 9.6450 9.6450 10.1683 10.1683 10.1902 10.1902 10.2651 10.2651 10.3947 10.3947 10.9089 10.9089 12.3177 12.3177 12.6199 12.6199 12.6963 12.6963 13.6660 13.6660 k = 0.0000 0.0000 0.2056 ( 4884 PWs) bands (ev): -30.8346 -30.8346 -30.8091 -30.8091 -15.0587 -15.0587 -14.1894 -14.1894 -12.0664 -12.0664 -12.0476 -12.0476 -11.7525 -11.7525 -11.6937 -11.6937 -11.6848 -11.6848 -11.3793 -11.3793 -2.4584 -2.4584 -1.1833 -1.1833 3.0300 3.0300 3.2041 3.2041 3.2310 3.2310 3.7946 3.7946 4.8324 4.8324 4.8752 4.8752 5.6571 5.6571 5.8114 5.8114 6.5700 6.5700 6.6387 6.6387 7.5963 7.5963 7.6692 7.6692 7.7259 7.7259 9.2555 9.2555 9.6496 9.6496 10.1683 10.1683 10.1903 10.1903 10.2652 10.2652 10.3858 10.3858 10.9089 10.9089 12.3055 12.3055 12.6189 12.6189 12.6953 12.6953 13.6764 13.6764 k = 0.0000 0.0000 0.2177 ( 4884 PWs) bands (ev): -30.8346 -30.8346 -30.8091 -30.8091 -15.0587 -15.0587 -14.1894 -14.1894 -12.0665 -12.0665 -12.0476 -12.0476 -11.7525 -11.7525 -11.6937 -11.6937 -11.6848 -11.6848 -11.3792 -11.3792 -2.4591 -2.4591 -1.1819 -1.1819 3.0259 3.0259 3.2041 3.2041 3.2310 3.2310 3.7946 3.7946 4.8325 4.8325 4.8753 4.8753 5.6851 5.6851 5.7881 5.7881 6.5696 6.5696 6.6383 6.6383 7.5967 7.5967 7.6692 7.6692 7.7262 7.7262 9.2570 9.2570 9.6524 9.6524 10.1683 10.1683 10.1904 10.1904 10.2653 10.2653 10.3802 10.3802 10.9089 10.9089 12.2981 12.2981 12.6184 12.6184 12.6946 12.6946 13.6827 13.6827 k = 0.0000 0.0000 0.2298 ( 4884 PWs) bands (ev): -30.8346 -30.8346 -30.8091 -30.8091 -15.0587 -15.0587 -14.1894 -14.1894 -12.0665 -12.0665 -12.0476 -12.0476 -11.7525 -11.7525 -11.6937 -11.6937 -11.6848 -11.6848 -11.3792 -11.3792 -2.4593 -2.4593 -1.1815 -1.1815 3.0245 3.0245 3.2041 3.2041 3.2310 3.2310 3.7946 3.7946 4.8325 4.8325 4.8753 4.8753 5.6981 5.6981 5.7767 5.7767 6.5695 6.5695 6.6382 6.6382 7.5968 7.5968 7.6693 7.6693 7.7263 7.7263 9.2576 9.2576 9.6533 9.6533 10.1683 10.1683 10.1905 10.1905 10.2653 10.2653 10.3784 10.3784 10.9089 10.9089 12.2956 12.2956 12.6182 12.6182 12.6944 12.6944 13.6849 13.6849 k = 0.0000 0.0000 0.2298 ( 4884 PWs) bands (ev): -30.8346 -30.8346 -30.8091 -30.8091 -15.0587 -15.0587 -14.1894 -14.1894 -12.0665 -12.0665 -12.0476 -12.0476 -11.7525 -11.7525 -11.6937 -11.6937 -11.6848 -11.6848 -11.3792 -11.3792 -2.4593 -2.4593 -1.1815 -1.1815 3.0245 3.0245 3.2041 3.2041 3.2310 3.2310 3.7946 3.7946 4.8325 4.8325 4.8753 4.8753 5.6981 5.6981 5.7767 5.7767 6.5695 6.5695 6.6382 6.6382 7.5968 7.5968 7.6693 7.6693 7.7263 7.7263 9.2576 9.2576 9.6533 9.6533 10.1683 10.1683 10.1905 10.1905 10.2653 10.2653 10.3784 10.3784 10.9089 10.9089 12.2956 12.2956 12.6182 12.6182 12.6944 12.6944 13.6849 13.6849 k = 0.0000 0.0119 0.2298 ( 4876 PWs) bands (ev): -30.8346 -30.8346 -30.8091 -30.8091 -15.0586 -15.0586 -14.1900 -14.1900 -12.0668 -12.0668 -12.0471 -12.0471 -11.7523 -11.7523 -11.6938 -11.6938 -11.6848 -11.6848 -11.3791 -11.3791 -2.4583 -2.4583 -1.1811 -1.1811 3.0251 3.0251 3.2047 3.2047 3.2315 3.2315 3.7946 3.7946 4.8317 4.8317 4.8744 4.8744 5.6988 5.6988 5.7767 5.7767 6.5690 6.5690 6.6376 6.6376 7.5946 7.5946 7.6697 7.6697 7.7243 7.7243 9.2584 9.2584 9.6534 9.6534 10.1657 10.1657 10.1835 10.1835 10.2583 10.2583 10.3925 10.3925 10.9099 10.9099 12.2771 12.2771 12.6261 12.6261 12.7029 12.7029 13.6874 13.6874 k = 0.0000 0.0238 0.2298 ( 4872 PWs) bands (ev): -30.8345 -30.8345 -30.8091 -30.8091 -15.0581 -15.0581 -14.1917 -14.1917 -12.0679 -12.0679 -12.0456 -12.0456 -11.7519 -11.7519 -11.6941 -11.6941 -11.6849 -11.6849 -11.3788 -11.3788 -2.4553 -2.4553 -1.1802 -1.1802 3.0269 3.0269 3.2062 3.2062 3.2331 3.2331 3.7948 3.7948 4.8292 4.8292 4.8719 4.8719 5.7009 5.7009 5.7765 5.7765 6.5673 6.5673 6.6362 6.6362 7.5878 7.5878 7.6711 7.6711 7.7187 7.7187 9.2604 9.2604 9.6535 9.6535 10.1502 10.1502 10.1714 10.1714 10.2460 10.2460 10.4248 10.4248 10.9128 10.9128 12.2302 12.2302 12.6365 12.6365 12.7336 12.7336 13.6949 13.6949 k = 0.0000 0.0357 0.2298 ( 4856 PWs) bands (ev): -30.8344 -30.8344 -30.8090 -30.8090 -15.0574 -15.0574 -14.1945 -14.1945 -12.0694 -12.0694 -12.0435 -12.0435 -11.7512 -11.7512 -11.6947 -11.6947 -11.6851 -11.6851 -11.3783 -11.3783 -2.4503 -2.4503 -1.1785 -1.1785 3.0300 3.0300 3.2087 3.2087 3.2357 3.2357 3.7950 3.7950 4.8250 4.8250 4.8676 4.8676 5.7042 5.7042 5.7762 5.7762 6.5641 6.5641 6.6341 6.6341 7.5757 7.5757 7.6727 7.6727 7.7110 7.7110 9.2637 9.2637 9.6536 9.6536 10.1168 10.1168 10.1642 10.1642 10.2350 10.2350 10.4644 10.4644 10.9176 10.9176 12.1678 12.1678 12.6377 12.6377 12.7849 12.7849 13.7065 13.7065 k = 0.0000 0.0476 0.2298 ( 4848 PWs) bands (ev): -30.8342 -30.8342 -30.8090 -30.8090 -15.0564 -15.0564 -14.1985 -14.1985 -12.0711 -12.0711 -12.0409 -12.0409 -11.7501 -11.7501 -11.6956 -11.6956 -11.6852 -11.6852 -11.3776 -11.3776 -2.4433 -2.4433 -1.1763 -1.1763 3.0342 3.0342 3.2123 3.2123 3.2393 3.2393 3.7953 3.7953 4.8191 4.8191 4.8617 4.8617 5.7087 5.7087 5.7755 5.7755 6.5592 6.5592 6.6320 6.6320 7.5574 7.5574 7.6730 7.6730 7.7042 7.7042 9.2678 9.2678 9.6537 9.6537 10.0762 10.0762 10.1567 10.1567 10.2242 10.2242 10.5067 10.5067 10.9241 10.9241 12.0980 12.0980 12.6324 12.6324 12.8462 12.8462 13.7214 13.7214 k = 0.0000 0.0595 0.2298 ( 4844 PWs) bands (ev): -30.8340 -30.8340 -30.8089 -30.8089 -15.0551 -15.0551 -14.2035 -14.2035 -12.0728 -12.0728 -12.0380 -12.0380 -11.7488 -11.7488 -11.6967 -11.6967 -11.6854 -11.6854 -11.3767 -11.3767 -2.4344 -2.4344 -1.1734 -1.1734 3.0395 3.0395 3.2169 3.2169 3.2439 3.2439 3.7958 3.7958 4.8116 4.8116 4.8543 4.8543 5.7142 5.7142 5.7745 5.7745 6.5521 6.5521 6.6305 6.6305 7.5320 7.5320 7.6692 7.6692 7.7023 7.7023 9.2723 9.2723 9.6538 9.6538 10.0332 10.0332 10.1476 10.1476 10.2125 10.2125 10.5502 10.5502 10.9321 10.9321 12.0251 12.0251 12.6233 12.6233 12.9110 12.9110 13.7385 13.7385 k = 0.0000 0.0714 0.2298 ( 4846 PWs) bands (ev): -30.8337 -30.8337 -30.8089 -30.8089 -15.0536 -15.0536 -14.2097 -14.2097 -12.0745 -12.0745 -12.0350 -12.0350 -11.7472 -11.7472 -11.6981 -11.6981 -11.6855 -11.6855 -11.3757 -11.3757 -2.4235 -2.4235 -1.1700 -1.1700 3.0459 3.0459 3.2224 3.2224 3.2497 3.2497 3.7962 3.7962 4.8025 4.8025 4.8453 4.8453 5.7204 5.7204 5.7730 5.7730 6.5427 6.5427 6.6299 6.6299 7.4995 7.4995 7.6613 7.6613 7.7064 7.7064 9.2768 9.2768 9.6538 9.6538 9.9898 9.9898 10.1365 10.1365 10.1994 10.1994 10.5942 10.5942 10.9418 10.9418 11.9512 11.9512 12.6112 12.6112 12.9763 12.9763 13.7566 13.7566 k = 0.0000 0.0833 0.2298 ( 4832 PWs) bands (ev): -30.8334 -30.8334 -30.8088 -30.8088 -15.0517 -15.0517 -14.2169 -14.2169 -12.0761 -12.0761 -12.0318 -12.0318 -11.7453 -11.7453 -11.6998 -11.6998 -11.6856 -11.6856 -11.3747 -11.3747 -2.4107 -2.4107 -1.1660 -1.1660 3.0533 3.0533 3.2290 3.2290 3.2566 3.2566 3.7967 3.7967 4.7918 4.7918 4.8348 4.8348 5.7273 5.7273 5.7707 5.7707 6.5311 6.5311 6.6304 6.6304 7.4603 7.4603 7.6516 7.6516 7.7141 7.7141 9.2808 9.2808 9.6536 9.6536 9.9472 9.9472 10.1236 10.1236 10.1847 10.1847 10.6385 10.6385 10.9529 10.9529 11.8775 11.8775 12.5967 12.5967 13.0406 13.0406 13.7746 13.7746 k = 0.0000 0.0952 0.2298 ( 4836 PWs) bands (ev): -30.8331 -30.8331 -30.8087 -30.8087 -15.0496 -15.0496 -14.2251 -14.2251 -12.0776 -12.0776 -12.0286 -12.0286 -11.7431 -11.7431 -11.7017 -11.7017 -11.6857 -11.6857 -11.3736 -11.3736 -2.3960 -2.3960 -1.1615 -1.1615 3.0616 3.0616 3.2365 3.2365 3.2646 3.2646 3.7972 3.7972 4.7796 4.7796 4.8229 4.8229 5.7343 5.7343 5.7674 5.7674 6.5178 6.5178 6.6320 6.6320 7.4155 7.4155 7.6413 7.6413 7.7242 7.7242 9.2837 9.2837 9.6532 9.6532 9.9061 9.9061 10.1088 10.1088 10.1683 10.1683 10.6829 10.6829 10.9652 10.9652 11.8051 11.8051 12.5800 12.5800 13.1031 13.1031 13.7917 13.7917 k = 0.0000 0.1071 0.2298 ( 4832 PWs) bands (ev): -30.8327 -30.8327 -30.8086 -30.8086 -15.0471 -15.0471 -14.2343 -14.2343 -12.0790 -12.0790 -12.0254 -12.0254 -11.7406 -11.7406 -11.7038 -11.7038 -11.6857 -11.6857 -11.3724 -11.3724 -2.3795 -2.3795 -1.1565 -1.1565 3.0708 3.0708 3.2450 3.2450 3.2738 3.2738 3.7976 3.7976 4.7658 4.7658 4.8097 4.8097 5.7412 5.7412 5.7630 5.7630 6.5033 6.5033 6.6348 6.6348 7.3662 7.3662 7.6307 7.6307 7.7362 7.7362 9.2851 9.2851 9.6524 9.6524 9.8671 9.8671 10.0921 10.0921 10.1503 10.1503 10.7275 10.7275 10.9787 10.9787 11.7345 11.7345 12.5614 12.5614 13.1635 13.1635 13.8072 13.8072 k = 0.0000 0.1190 0.2298 ( 4828 PWs) bands (ev): -30.8323 -30.8323 -30.8085 -30.8085 -15.0444 -15.0444 -14.2444 -14.2444 -12.0802 -12.0802 -12.0223 -12.0223 -11.7377 -11.7377 -11.7060 -11.7060 -11.6857 -11.6857 -11.3713 -11.3713 -2.3611 -2.3611 -1.1510 -1.1510 3.0807 3.0807 3.2544 3.2544 3.2842 3.2842 3.7980 3.7980 4.7507 4.7507 4.7953 4.7953 5.7473 5.7473 5.7572 5.7572 6.4882 6.4882 6.6384 6.6384 7.3137 7.3137 7.6198 7.6198 7.7498 7.7498 9.2846 9.2846 9.6513 9.6513 9.8308 9.8308 10.0734 10.0734 10.1307 10.1307 10.7724 10.7724 10.9933 10.9933 11.6662 11.6662 12.5410 12.5410 13.2214 13.2214 13.8205 13.8205 k = 0.0000 0.1310 0.2298 ( 4828 PWs) bands (ev): -30.8318 -30.8318 -30.8084 -30.8084 -15.0413 -15.0413 -14.2555 -14.2555 -12.0812 -12.0812 -12.0192 -12.0192 -11.7346 -11.7346 -11.7083 -11.7083 -11.6857 -11.6857 -11.3703 -11.3703 -2.3409 -2.3409 -1.1452 -1.1452 3.0914 3.0914 3.2647 3.2647 3.2959 3.2959 3.7984 3.7984 4.7342 4.7342 4.7796 4.7796 5.7473 5.7473 5.7547 5.7547 6.4732 6.4732 6.6430 6.6430 7.2592 7.2592 7.6084 7.6084 7.7650 7.7650 9.2818 9.2818 9.6496 9.6496 9.7973 9.7973 10.0530 10.0530 10.1096 10.1096 10.8175 10.8175 11.0088 11.0088 11.6006 11.6006 12.5189 12.5189 13.2770 13.2770 13.8308 13.8308 k = 0.0000 0.1429 0.2298 ( 4836 PWs) bands (ev): -30.8313 -30.8313 -30.8083 -30.8083 -15.0380 -15.0380 -14.2673 -14.2673 -12.0820 -12.0820 -12.0162 -12.0162 -11.7311 -11.7311 -11.7106 -11.7106 -11.6858 -11.6858 -11.3694 -11.3694 -2.3189 -2.3189 -1.1391 -1.1391 3.1027 3.1027 3.2758 3.2758 3.3089 3.3089 3.7986 3.7986 4.7163 4.7163 4.7627 4.7627 5.7376 5.7376 5.7581 5.7581 6.4590 6.4590 6.6482 6.6482 7.2039 7.2039 7.5965 7.5965 7.7817 7.7817 9.2764 9.2764 9.6473 9.6473 9.7669 9.7669 10.0308 10.0308 10.0869 10.0869 10.8628 10.8628 11.0253 11.0253 11.5381 11.5381 12.4954 12.4954 13.3301 13.3301 13.8373 13.8373 k = 0.0000 0.1548 0.2298 ( 4838 PWs) bands (ev): -30.8308 -30.8308 -30.8082 -30.8082 -15.0343 -15.0343 -14.2800 -14.2800 -12.0826 -12.0826 -12.0133 -12.0133 -11.7274 -11.7274 -11.7128 -11.7128 -11.6858 -11.6858 -11.3686 -11.3686 -2.2952 -2.2952 -1.1327 -1.1327 3.1145 3.1145 3.2877 3.2877 3.3231 3.3231 3.7986 3.7986 4.6972 4.6972 4.7446 4.7446 5.7248 5.7248 5.7602 5.7602 6.4462 6.4462 6.6542 6.6542 7.1489 7.1489 7.5841 7.5841 7.7999 7.7999 9.2685 9.2685 9.6442 9.6442 9.7397 9.7397 10.0068 10.0068 10.0628 10.0628 10.9081 10.9081 11.0426 11.0426 11.4789 11.4789 12.4706 12.4706 13.3811 13.3811 13.8389 13.8389 k = 0.0000 0.1667 0.2298 ( 4834 PWs) bands (ev): -30.8302 -30.8302 -30.8081 -30.8081 -15.0303 -15.0303 -14.2934 -14.2934 -12.0831 -12.0831 -12.0106 -12.0106 -11.7235 -11.7235 -11.7149 -11.7149 -11.6859 -11.6859 -11.3681 -11.3681 -2.2699 -2.2699 -1.1261 -1.1261 3.1269 3.1269 3.3004 3.3004 3.3386 3.3386 3.7985 3.7985 4.6768 4.6768 4.7254 4.7254 5.7089 5.7089 5.7598 5.7598 6.4353 6.4353 6.6608 6.6608 7.0955 7.0955 7.5710 7.5710 7.8195 7.8195 9.2582 9.2582 9.6403 9.6403 9.7154 9.7154 9.9813 9.9813 10.0373 10.0373 10.9534 10.9534 11.0610 11.0610 11.4232 11.4232 12.4446 12.4446 13.4299 13.4299 13.8344 13.8344 k = 0.0000 0.1786 0.2298 ( 4830 PWs) bands (ev): -30.8296 -30.8296 -30.8080 -30.8080 -15.0260 -15.0260 -14.3075 -14.3075 -12.0833 -12.0833 -12.0080 -12.0080 -11.7203 -11.7203 -11.7159 -11.7159 -11.6860 -11.6860 -11.3677 -11.3677 -2.2430 -2.2430 -1.1195 -1.1195 3.1397 3.1397 3.3138 3.3138 3.3553 3.3553 3.7981 3.7981 4.6553 4.6553 4.7052 4.7052 5.6900 5.6900 5.7563 5.7563 6.4270 6.4270 6.6681 6.6681 7.0448 7.0448 7.5574 7.5574 7.8404 7.8404 9.2456 9.2456 9.6352 9.6352 9.6939 9.6939 9.9542 9.9542 10.0104 10.0104 10.9982 10.9982 11.0805 11.0805 11.3712 11.3712 12.4176 12.4176 13.4767 13.4767 13.8224 13.8224 k = 0.0000 0.1905 0.2298 ( 4842 PWs) bands (ev): -30.8290 -30.8290 -30.8079 -30.8079 -15.0214 -15.0214 -14.3223 -14.3223 -12.0834 -12.0834 -12.0057 -12.0057 -11.7206 -11.7206 -11.7129 -11.7129 -11.6862 -11.6862 -11.3676 -11.3676 -2.2146 -2.2146 -1.1128 -1.1128 3.1529 3.1529 3.3280 3.3280 3.3730 3.3730 3.7974 3.7974 4.6326 4.6326 4.6840 4.6840 5.6679 5.6679 5.7491 5.7491 6.4214 6.4214 6.6759 6.6759 6.9979 6.9979 7.5432 7.5432 7.8628 7.8628 9.2312 9.2312 9.6289 9.6289 9.6748 9.6748 9.9256 9.9256 9.9821 9.9821 11.0415 11.0415 11.1017 11.1017 11.3231 11.3231 12.3897 12.3897 13.5217 13.5217 13.8016 13.8016 k = 0.0000 0.2024 0.2298 ( 4834 PWs) bands (ev): -30.8283 -30.8283 -30.8078 -30.8078 -15.0164 -15.0164 -14.3377 -14.3377 -12.0832 -12.0832 -12.0036 -12.0036 -11.7224 -11.7224 -11.7081 -11.7081 -11.6863 -11.6863 -11.3678 -11.3678 -2.1846 -2.1846 -1.1062 -1.1062 3.1666 3.1666 3.3430 3.3430 3.3917 3.3917 3.7964 3.7964 4.6089 4.6089 4.6617 4.6617 5.6427 5.6427 5.7377 5.7377 6.4190 6.4190 6.6842 6.6842 6.9558 6.9558 7.5284 7.5284 7.8866 7.8866 9.2154 9.2154 9.6209 9.6209 9.6579 9.6579 9.8957 9.8957 9.9527 9.9527 11.0812 11.0812 11.1266 11.1266 11.2791 11.2791 12.3611 12.3611 13.5651 13.5651 13.7713 13.7713 k = 0.0000 0.2143 0.2298 ( 4832 PWs) bands (ev): -30.8277 -30.8277 -30.8077 -30.8077 -15.0111 -15.0111 -14.3535 -14.3535 -12.0829 -12.0829 -12.0017 -12.0017 -11.7242 -11.7242 -11.7029 -11.7029 -11.6864 -11.6864 -11.3683 -11.3683 -2.1533 -2.1533 -1.0997 -1.0997 3.1807 3.1807 3.3587 3.3587 3.4114 3.4114 3.7950 3.7950 4.5840 4.5840 4.6385 4.6385 5.6146 5.6146 5.7218 5.7218 6.4198 6.4198 6.6930 6.6930 6.9193 6.9193 7.5131 7.5131 7.9116 7.9116 9.1986 9.1986 9.6111 9.6111 9.6429 9.6429 9.8644 9.8644 9.9220 9.9220 11.1137 11.1137 11.1580 11.1580 11.2396 11.2396 12.3319 12.3319 13.6067 13.6067 13.7315 13.7315 k = 0.0000 0.2262 0.2298 ( 4840 PWs) bands (ev): -30.8270 -30.8270 -30.8076 -30.8076 -15.0055 -15.0055 -14.3699 -14.3699 -12.0824 -12.0824 -12.0001 -12.0001 -11.7259 -11.7259 -11.6976 -11.6976 -11.6863 -11.6863 -11.3691 -11.3691 -2.1207 -2.1207 -1.0935 -1.0935 3.1952 3.1952 3.3752 3.3752 3.4317 3.4317 3.7933 3.7933 4.5581 4.5581 4.6144 4.6144 5.5839 5.5839 5.7012 5.7012 6.4237 6.4237 6.7023 6.7023 6.8890 6.8890 7.4972 7.4972 7.9379 7.9379 9.1814 9.1814 9.5993 9.5993 9.6294 9.6294 9.8319 9.8319 9.8903 9.8903 11.1386 11.1386 11.1908 11.1908 11.2096 11.2096 12.3021 12.3021 13.6458 13.6458 13.6842 13.6842 k = 0.0000 0.2381 0.2298 ( 4848 PWs) bands (ev): -30.8262 -30.8262 -30.8076 -30.8076 -14.9995 -14.9995 -14.3867 -14.3867 -12.0817 -12.0817 -11.9987 -11.9987 -11.7275 -11.7275 -11.6932 -11.6932 -11.6850 -11.6850 -11.3703 -11.3703 -2.0869 -2.0869 -1.0877 -1.0877 3.2100 3.2100 3.3923 3.3923 3.4526 3.4526 3.7911 3.7911 4.5311 4.5311 4.5895 4.5895 5.5509 5.5509 5.6760 5.6760 6.4308 6.4308 6.7120 6.7120 6.8652 6.8652 7.4808 7.4808 7.9655 7.9655 9.1640 9.1640 9.5858 9.5858 9.6167 9.6167 9.7982 9.7982 9.8576 9.8576 11.1533 11.1533 11.1780 11.1780 11.2385 11.2385 12.2720 12.2720 13.6267 13.6267 13.6871 13.6871 k = 0.0000 0.2500 0.2298 ( 4852 PWs) bands (ev): -30.8255 -30.8255 -30.8075 -30.8075 -14.9932 -14.9932 -14.4038 -14.4038 -12.0808 -12.0808 -11.9976 -11.9976 -11.7289 -11.7289 -11.6912 -11.6912 -11.6809 -11.6809 -11.3719 -11.3719 -2.0519 -2.0519 -1.0823 -1.0823 3.2253 3.2253 3.4102 3.4102 3.4739 3.4739 3.7885 3.7885 4.5030 4.5030 4.5638 4.5638 5.5162 5.5162 5.6466 5.6466 6.4408 6.4408 6.7220 6.7220 6.8479 6.8479 7.4639 7.4639 7.9944 7.9944 9.1469 9.1469 9.5707 9.5707 9.6042 9.6042 9.7635 9.7635 9.8241 9.8241 11.1361 11.1361 11.1888 11.1888 11.2780 11.2780 12.2416 12.2416 13.5683 13.5683 13.7237 13.7237 k = 0.0000 0.2619 0.2298 ( 4840 PWs) bands (ev): -30.8248 -30.8248 -30.8074 -30.8074 -14.9865 -14.9865 -14.4213 -14.4213 -12.0797 -12.0797 -11.9968 -11.9968 -11.7301 -11.7301 -11.6910 -11.6910 -11.6748 -11.6748 -11.3739 -11.3739 -2.0159 -2.0159 -1.0776 -1.0776 3.2409 3.2409 3.4289 3.4289 3.4954 3.4954 3.7854 3.7854 4.4740 4.4740 4.5373 4.5373 5.4802 5.4802 5.6135 5.6135 6.4535 6.4535 6.7324 6.7324 6.8368 6.8368 7.4465 7.4465 8.0245 8.0245 9.1303 9.1303 9.5545 9.5545 9.5914 9.5914 9.7279 9.7279 9.7899 9.7899 11.1131 11.1131 11.2086 11.2086 11.3162 11.3162 12.2111 12.2111 13.5080 13.5080 13.7593 13.7593 k = 0.0000 0.2738 0.2298 ( 4840 PWs) bands (ev): -30.8240 -30.8240 -30.8074 -30.8074 -14.9794 -14.9794 -14.4390 -14.4390 -12.0785 -12.0785 -11.9962 -11.9962 -11.7311 -11.7311 -11.6915 -11.6915 -11.6678 -11.6678 -11.3762 -11.3762 -1.9789 -1.9789 -1.0735 -1.0735 3.2570 3.2570 3.4482 3.4482 3.5171 3.5171 3.7818 3.7818 4.4440 4.4440 4.5102 4.5102 5.4434 5.4434 5.5774 5.5774 6.4688 6.4688 6.7431 6.7431 6.8315 6.8315 7.4288 7.4288 8.0558 8.0558 9.1145 9.1145 9.5371 9.5371 9.5779 9.5779 9.6914 9.6914 9.7552 9.7552 11.0926 11.0926 11.2292 11.2292 11.3520 11.3520 12.1804 12.1804 13.4486 13.4486 13.7934 13.7934 k = 0.0000 0.2857 0.2298 ( 4840 PWs) bands (ev): -30.8233 -30.8233 -30.8074 -30.8074 -14.9719 -14.9719 -14.4569 -14.4569 -12.0770 -12.0770 -11.9960 -11.9960 -11.7320 -11.7320 -11.6922 -11.6922 -11.6604 -11.6604 -11.3790 -11.3790 -1.9411 -1.9411 -1.0703 -1.0703 3.2735 3.2735 3.4682 3.4682 3.5387 3.5387 3.7777 3.7777 4.4131 4.4131 4.4824 4.4824 5.4063 5.4063 5.5391 5.5391 6.4863 6.4863 6.7541 6.7541 6.8312 6.8312 7.4106 7.4106 8.0883 8.0883 9.0996 9.0996 9.5185 9.5185 9.5637 9.5637 9.6543 9.6543 9.7201 9.7201 11.0755 11.0755 11.2500 11.2500 11.3844 11.3844 12.1498 12.1498 13.3922 13.3922 13.8257 13.8257 k = 0.0000 0.2976 0.2298 ( 4838 PWs) bands (ev): -30.8225 -30.8225 -30.8073 -30.8073 -14.9641 -14.9641 -14.4750 -14.4750 -12.0754 -12.0754 -11.9960 -11.9960 -11.7326 -11.7326 -11.6932 -11.6932 -11.6525 -11.6525 -11.3822 -11.3822 -1.9026 -1.9026 -1.0681 -1.0681 3.2903 3.2903 3.4889 3.4889 3.5601 3.5601 3.7731 3.7731 4.3812 4.3812 4.4541 4.4541 5.3693 5.3693 5.4994 5.4994 6.5058 6.5058 6.7655 6.7655 6.8351 6.8351 7.3921 7.3921 8.1219 8.1219 9.0858 9.0858 9.4988 9.4988 9.5484 9.5484 9.6169 9.6169 9.6849 9.6849 11.0618 11.0618 11.2709 11.2709 11.4129 11.4129 12.1191 12.1191 13.3409 13.3409 13.8563 13.8563 k = 0.0000 0.3095 0.2298 ( 4832 PWs) bands (ev): -30.8217 -30.8217 -30.8074 -30.8074 -14.9559 -14.9559 -14.4932 -14.4932 -12.0736 -12.0736 -11.9963 -11.9963 -11.7330 -11.7330 -11.6942 -11.6942 -11.6444 -11.6444 -11.3858 -11.3858 -1.8635 -1.8635 -1.0669 -1.0669 3.3075 3.3075 3.5102 3.5102 3.5812 3.5812 3.7679 3.7679 4.3486 4.3486 4.4253 4.4253 5.3329 5.3329 5.4592 5.4592 6.5272 6.5272 6.7774 6.7774 6.8423 6.8423 7.3733 7.3733 8.1566 8.1566 9.0733 9.0733 9.4776 9.4776 9.5320 9.5320 9.5797 9.5797 9.6498 9.6498 11.0514 11.0514 11.2919 11.2919 11.4366 11.4366 12.0887 12.0887 13.2961 13.2961 13.8849 13.8849 k = 0.0000 0.3214 0.2298 ( 4836 PWs) bands (ev): -30.8210 -30.8210 -30.8074 -30.8074 -14.9473 -14.9473 -14.5115 -14.5115 -12.0717 -12.0717 -11.9968 -11.9968 -11.7333 -11.7333 -11.6954 -11.6954 -11.6360 -11.6360 -11.3899 -11.3899 -1.8240 -1.8240 -1.0670 -1.0670 3.3251 3.3251 3.5321 3.5321 3.6018 3.6018 3.7623 3.7623 4.3153 4.3153 4.3960 4.3960 5.2975 5.2975 5.4191 5.4191 6.5501 6.5501 6.7898 6.7898 6.8521 6.8521 7.3542 7.3542 8.1923 8.1923 9.0620 9.0620 9.4546 9.4546 9.5134 9.5134 9.5443 9.5443 9.6149 9.6149 11.0441 11.0441 11.3130 11.3130 11.4551 11.4551 12.0583 12.0583 13.2592 13.2592 13.9114 13.9114 k = 0.0000 0.3333 0.2298 ( 4838 PWs) bands (ev): -30.8202 -30.8202 -30.8074 -30.8074 -14.9383 -14.9383 -14.5297 -14.5297 -12.0696 -12.0696 -11.9977 -11.9977 -11.7334 -11.7334 -11.6966 -11.6966 -11.6273 -11.6273 -11.3943 -11.3943 -1.7841 -1.7841 -1.0684 -1.0684 3.3431 3.3431 3.5546 3.5546 3.6218 3.6218 3.7561 3.7561 4.2815 4.2815 4.3663 4.3663 5.2634 5.2634 5.3797 5.3797 6.5743 6.5743 6.8029 6.8029 6.8637 6.8637 7.3348 7.3348 8.2291 8.2291 9.0521 9.0521 9.4290 9.4290 9.4899 9.4899 9.5142 9.5142 9.5809 9.5809 11.0398 11.0398 11.3342 11.3342 11.4678 11.4678 12.0283 12.0283 13.2310 13.2310 13.9356 13.9357 k = 0.0000 0.3452 0.2298 ( 4834 PWs) bands (ev): -30.8194 -30.8194 -30.8075 -30.8075 -14.9288 -14.9288 -14.5480 -14.5480 -12.0674 -12.0674 -11.9988 -11.9988 -11.7332 -11.7332 -11.6980 -11.6980 -11.6184 -11.6184 -11.3992 -11.3992 -1.7441 -1.7441 -1.0712 -1.0712 3.3614 3.3614 3.5776 3.5776 3.6412 3.6412 3.7495 3.7495 4.2474 4.2474 4.3364 4.3364 5.2311 5.2311 5.3417 5.3417 6.5996 6.5996 6.8164 6.8164 6.8763 6.8763 7.3153 7.3153 8.2669 8.2669 9.0436 9.0436 9.4000 9.4000 9.4604 9.4604 9.4918 9.4918 9.5479 9.5479 11.0384 11.0384 11.3555 11.3555 11.4745 11.4745 11.9985 11.9985 13.2122 13.2122 13.9575 13.9575 k = 0.0000 0.3571 0.2298 ( 4830 PWs) bands (ev): -30.8187 -30.8187 -30.8076 -30.8076 -14.9190 -14.9190 -14.5662 -14.5662 -12.0650 -12.0650 -12.0001 -12.0001 -11.7330 -11.7330 -11.6994 -11.6994 -11.6093 -11.6093 -11.4045 -11.4045 -1.7039 -1.7039 -1.0755 -1.0755 3.3799 3.3799 3.6009 3.6009 3.6600 3.6600 3.7426 3.7426 4.2130 4.2130 4.3061 4.3061 5.2008 5.2008 5.3052 5.3052 6.6257 6.6257 6.8304 6.8304 6.8896 6.8896 7.2955 7.2955 8.3056 8.3056 9.0366 9.0366 9.3668 9.3668 9.4297 9.4297 9.4730 9.4730 9.5166 9.5166 11.0398 11.0398 11.3768 11.3768 11.4754 11.4754 11.9690 11.9690 13.2031 13.2031 13.9768 13.9768 k = 0.0000 0.3690 0.2298 ( 4830 PWs) bands (ev): -30.8180 -30.8180 -30.8078 -30.8078 -14.9088 -14.9088 -14.5843 -14.5843 -12.0625 -12.0625 -12.0016 -12.0016 -11.7325 -11.7325 -11.7009 -11.7009 -11.6001 -11.6001 -11.4102 -11.4102 -1.6639 -1.6639 -1.0815 -1.0815 3.3988 3.3988 3.6244 3.6244 3.6780 3.6780 3.7356 3.7356 4.1787 4.1787 4.2756 4.2756 5.1729 5.1729 5.2707 5.2707 6.6523 6.6523 6.8446 6.8446 6.9030 6.9030 7.2757 7.2757 8.3452 8.3452 9.0311 9.0311 9.3299 9.3299 9.4000 9.4000 9.4554 9.4554 9.4872 9.4872 11.0437 11.0437 11.3981 11.3981 11.4706 11.4706 11.9398 11.9398 13.2034 13.2034 13.9934 13.9934 k = 0.0000 0.3810 0.2298 ( 4826 PWs) bands (ev): -30.8172 -30.8172 -30.8079 -30.8079 -14.8981 -14.8981 -14.6023 -14.6023 -12.0599 -12.0599 -12.0034 -12.0034 -11.7319 -11.7319 -11.7025 -11.7025 -11.5907 -11.5907 -11.4163 -11.4163 -1.6242 -1.6242 -1.0893 -1.0893 3.4178 3.4178 3.6474 3.6474 3.6953 3.6953 3.7291 3.7291 4.1446 4.1446 4.2450 4.2450 5.1474 5.1474 5.2384 5.2384 6.6793 6.6793 6.8590 6.8590 6.9163 6.9163 7.2557 7.2557 8.3857 8.3857 9.0272 9.0272 9.2901 9.2901 9.3711 9.3711 9.4386 9.4386 9.4604 9.4604 11.0501 11.0501 11.4193 11.4193 11.4608 11.4608 11.9111 11.9111 13.2129 13.2129 14.0069 14.0069 k = 0.0000 0.3929 0.2298 ( 4828 PWs) bands (ev): -30.8165 -30.8165 -30.8081 -30.8081 -14.8870 -14.8870 -14.6201 -14.6201 -12.0571 -12.0571 -12.0054 -12.0054 -11.7312 -11.7312 -11.7041 -11.7041 -11.5812 -11.5812 -11.4228 -11.4228 -1.5848 -1.5848 -1.0989 -1.0989 3.4370 3.4370 3.6684 3.6684 3.7112 3.7112 3.7254 3.7254 4.1110 4.1110 4.2142 4.2142 5.1246 5.1246 5.2084 5.2084 6.7063 6.7063 6.8731 6.8731 6.9290 6.9290 7.2357 7.2357 8.4269 8.4269 9.0246 9.0246 9.2487 9.2487 9.3424 9.3424 9.4226 9.4226 9.4364 9.4364 11.0588 11.0588 11.4372 11.4372 11.4499 11.4499 11.8827 11.8827 13.2309 13.2309 14.0168 14.0168 k = 0.0000 0.4048 0.2298 ( 4824 PWs) bands (ev): -30.8158 -30.8158 -30.8083 -30.8083 -14.8755 -14.8755 -14.6377 -14.6377 -12.0543 -12.0543 -12.0075 -12.0075 -11.7303 -11.7303 -11.7058 -11.7058 -11.5716 -11.5716 -11.4296 -11.4296 -1.5460 -1.5460 -1.1104 -1.1104 3.4562 3.4562 3.6822 3.6822 3.7217 3.7217 3.7339 3.7339 4.0781 4.0781 4.1833 4.1833 5.1047 5.1047 5.1809 5.1809 6.7331 6.7331 6.8867 6.8867 6.9414 6.9414 7.2157 7.2157 8.4689 8.4689 9.0232 9.0232 9.2066 9.2066 9.3137 9.3137 9.4075 9.4075 9.4153 9.4153 11.0697 11.0697 11.4255 11.4255 11.4649 11.4649 11.8548 11.8548 13.2566 13.2566 14.0208 14.0208 k = 0.0000 0.4167 0.2298 ( 4824 PWs) bands (ev): -30.8152 -30.8152 -30.8086 -30.8086 -14.8636 -14.8636 -14.6551 -14.6551 -12.0513 -12.0513 -12.0099 -12.0099 -11.7293 -11.7293 -11.7075 -11.7075 -11.5619 -11.5619 -11.4368 -11.4368 -1.5079 -1.5079 -1.1238 -1.1238 3.4755 3.4755 3.6829 3.6829 3.7353 3.7353 3.7518 3.7518 4.0460 4.0460 4.1524 4.1524 5.0878 5.0878 5.1559 5.1559 6.7592 6.7592 6.8991 6.8991 6.9534 6.9534 7.1957 7.1957 8.5115 8.5115 9.0224 9.0224 9.1649 9.1649 9.2851 9.2851 9.3935 9.3935 9.3971 9.3971 11.0828 11.0828 11.4044 11.4044 11.4864 11.4864 11.8274 11.8274 13.2891 13.2891 14.0112 14.0112 k = 0.0000 0.4286 0.2298 ( 4832 PWs) bands (ev): -30.8145 -30.8145 -30.8088 -30.8088 -14.8513 -14.8513 -14.6723 -14.6723 -12.0483 -12.0483 -12.0124 -12.0124 -11.7282 -11.7282 -11.7092 -11.7092 -11.5523 -11.5523 -11.4443 -11.4443 -1.4707 -1.4707 -1.1393 -1.1393 3.4946 3.4946 3.6761 3.6761 3.7526 3.7526 3.7734 3.7734 4.0151 4.0151 4.1216 4.1216 5.0739 5.0739 5.1334 5.1334 6.7845 6.7845 6.9094 6.9094 6.9656 6.9656 7.1757 7.1757 8.5548 8.5548 9.0205 9.0205 9.1256 9.1256 9.2569 9.2569 9.3807 9.3807 9.3816 9.3816 11.0978 11.0978 11.3806 11.3806 11.5085 11.5085 11.8003 11.8003 13.3275 13.3275 13.9767 13.9767 k = 0.0000 0.4405 0.2298 ( 4812 PWs) bands (ev): -30.8139 -30.8139 -30.8091 -30.8091 -14.8385 -14.8385 -14.6891 -14.6891 -12.0453 -12.0453 -12.0150 -12.0150 -11.7269 -11.7269 -11.7110 -11.7110 -11.5425 -11.5425 -11.4521 -11.4521 -1.4345 -1.4345 -1.1567 -1.1567 3.5136 3.5136 3.6664 3.6664 3.7697 3.7697 3.7979 3.7979 3.9856 3.9856 4.0908 4.0908 5.0630 5.0630 5.1135 5.1135 6.8086 6.8086 6.9169 6.9169 6.9786 6.9786 7.1559 7.1559 8.5987 8.5987 9.0124 9.0124 9.0943 9.0943 9.2297 9.2297 9.3687 9.3687 9.3696 9.3696 11.1147 11.1147 11.3552 11.3552 11.5310 11.5310 11.7738 11.7738 13.3710 13.3710 13.9266 13.9266 k = 0.0000 0.4524 0.2298 ( 4820 PWs) bands (ev): -30.8133 -30.8133 -30.8095 -30.8095 -14.8253 -14.8253 -14.7057 -14.7057 -12.0422 -12.0422 -12.0177 -12.0177 -11.7256 -11.7256 -11.7127 -11.7127 -11.5329 -11.5329 -11.4602 -11.4602 -1.3995 -1.3995 -1.1762 -1.1762 3.5321 3.5321 3.6553 3.6553 3.7864 3.7864 3.8243 3.8243 3.9575 3.9575 4.0601 4.0601 5.0552 5.0552 5.0961 5.0961 6.8311 6.8311 6.9208 6.9208 6.9928 6.9928 7.1362 7.1362 8.6430 8.6430 8.9895 8.9895 9.0795 9.0795 9.2035 9.2035 9.3583 9.3583 9.3600 9.3600 11.1334 11.1334 11.3287 11.3287 11.5537 11.5537 11.7477 11.7477 13.4186 13.4186 13.8709 13.8709 k = 0.0000 0.4643 0.2298 ( 4816 PWs) bands (ev): -30.8127 -30.8127 -30.8099 -30.8099 -14.8117 -14.8117 -14.7219 -14.7219 -12.0390 -12.0390 -12.0206 -12.0206 -11.7242 -11.7242 -11.7145 -11.7145 -11.5233 -11.5233 -11.4686 -11.4686 -1.3658 -1.3658 -1.1977 -1.1977 3.5502 3.5502 3.6430 3.6430 3.8035 3.8035 3.8516 3.8516 3.9312 3.9312 4.0296 4.0296 5.0503 5.0503 5.0814 5.0814 6.8518 6.8518 6.9209 6.9209 7.0082 7.0082 7.1167 7.1167 8.6877 8.6877 8.9535 8.9535 9.0799 9.0799 9.1789 9.1789 9.3505 9.3505 9.3523 9.3523 11.1538 11.1538 11.3020 11.3020 11.5767 11.5767 11.7221 11.7221 13.4697 13.4697 13.8131 13.8131 k = 0.0000 0.4762 0.2298 ( 4822 PWs) bands (ev): -30.8122 -30.8122 -30.8103 -30.8103 -14.7977 -14.7977 -14.7378 -14.7378 -12.0359 -12.0359 -12.0236 -12.0236 -11.7227 -11.7227 -11.7162 -11.7162 -11.5138 -11.5138 -11.4773 -11.4773 -1.3335 -1.3335 -1.2212 -1.2212 3.5677 3.5677 3.6297 3.6297 3.8212 3.8212 3.8785 3.8785 3.9077 3.9077 3.9993 3.9993 5.0484 5.0484 5.0694 5.0694 6.8704 6.8704 6.9173 6.9173 7.0247 7.0247 7.0975 7.0975 8.7327 8.7327 8.9118 8.9118 9.0881 9.0881 9.1560 9.1560 9.3450 9.3450 9.3465 9.3465 11.1757 11.1757 11.2752 11.2752 11.6000 11.6000 11.6968 11.6968 13.5236 13.5236 13.7543 13.7543 k = 0.0000 0.4881 0.2298 ( 4834 PWs) bands (ev): -30.8116 -30.8116 -30.8107 -30.8107 -14.7833 -14.7833 -14.7534 -14.7534 -12.0328 -12.0328 -12.0266 -12.0266 -11.7212 -11.7212 -11.7179 -11.7179 -11.5045 -11.5045 -11.4861 -11.4861 -1.3028 -1.3028 -1.2466 -1.2466 3.5845 3.5845 3.6155 3.6155 3.8399 3.8399 3.8801 3.8801 3.9117 3.9117 3.9693 3.9693 5.0495 5.0495 5.0600 5.0600 6.8865 6.8865 6.9102 6.9102 7.0420 7.0420 7.0786 7.0786 8.7778 8.7778 8.8678 8.8678 9.1008 9.1008 9.1352 9.1352 9.3419 9.3419 9.3427 9.3427 11.1989 11.1989 11.2489 11.2489 11.6236 11.6236 11.6720 11.6720 13.5795 13.5795 13.6955 13.6955 k = 0.0000 0.5000 0.2298 ( 4824 PWs) bands (ev): -30.8112 -30.8112 -30.8112 -30.8112 -14.7685 -14.7685 -14.7685 -14.7685 -12.0297 -12.0297 -12.0297 -12.0297 -11.7196 -11.7196 -11.7196 -11.7196 -11.4952 -11.4952 -11.4952 -11.4952 -1.2738 -1.2738 -1.2738 -1.2738 3.6004 3.6004 3.6004 3.6004 3.8597 3.8597 3.8597 3.8597 3.9399 3.9399 3.9399 3.9399 5.0533 5.0533 5.0533 5.0533 6.8999 6.8999 6.8999 6.8999 7.0600 7.0600 7.0600 7.0600 8.8230 8.8230 8.8230 8.8230 9.1167 9.1167 9.1167 9.1167 9.3412 9.3412 9.3412 9.3412 11.2234 11.2234 11.2234 11.2234 11.6477 11.6477 11.6477 11.6477 13.6370 13.6370 13.6370 13.6370 k = 0.0000 0.5000 0.2298 ( 4824 PWs) bands (ev): -30.8112 -30.8112 -30.8112 -30.8112 -14.7685 -14.7685 -14.7685 -14.7685 -12.0297 -12.0297 -12.0297 -12.0297 -11.7196 -11.7196 -11.7196 -11.7196 -11.4952 -11.4952 -11.4952 -11.4952 -1.2738 -1.2738 -1.2738 -1.2738 3.6004 3.6004 3.6004 3.6004 3.8597 3.8597 3.8597 3.8597 3.9399 3.9399 3.9399 3.9399 5.0533 5.0533 5.0533 5.0533 6.8999 6.8999 6.8999 6.8999 7.0600 7.0600 7.0600 7.0600 8.8230 8.8230 8.8230 8.8230 9.1167 9.1167 9.1167 9.1167 9.3412 9.3412 9.3412 9.3412 11.2234 11.2234 11.2234 11.2234 11.6477 11.6477 11.6477 11.6477 13.6370 13.6370 13.6370 13.6370 k = 0.0119 0.5000 0.2298 ( 4824 PWs) bands (ev): -30.8111 -30.8111 -30.8111 -30.8111 -14.7690 -14.7690 -14.7683 -14.7683 -12.0327 -12.0327 -12.0267 -12.0267 -11.7209 -11.7209 -11.7185 -11.7185 -11.4990 -11.4990 -11.4910 -11.4910 -1.2733 -1.2733 -1.2731 -1.2731 3.5986 3.5986 3.6013 3.6013 3.8374 3.8374 3.8500 3.8500 3.9519 3.9519 3.9618 3.9618 5.0532 5.0532 5.0538 5.0538 6.8934 6.8934 6.9049 6.9049 7.0551 7.0551 7.0649 7.0649 8.8164 8.8164 8.8225 8.8225 9.1153 9.1153 9.1242 9.1242 9.3400 9.3400 9.3414 9.3414 11.2148 11.2148 11.2158 11.2158 11.6502 11.6502 11.6513 11.6513 13.6387 13.6387 13.6400 13.6400 k = 0.0238 0.5000 0.2298 ( 4828 PWs) bands (ev): -30.8111 -30.8111 -30.8111 -30.8111 -14.7696 -14.7696 -14.7683 -14.7683 -12.0359 -12.0359 -12.0240 -12.0240 -11.7224 -11.7224 -11.7176 -11.7176 -11.5023 -11.5023 -11.4865 -11.4865 -1.2717 -1.2717 -1.2713 -1.2713 3.5956 3.5956 3.6013 3.6013 3.8039 3.8039 3.8213 3.8213 3.9853 3.9853 3.9972 3.9972 5.0534 5.0534 5.0547 5.0547 6.8857 6.8857 6.9084 6.9084 7.0502 7.0502 7.0697 7.0697 8.8037 8.8037 8.8151 8.8151 9.1199 9.1199 9.1370 9.1370 9.3377 9.3377 9.3407 9.3407 11.1910 11.1910 11.1929 11.1929 11.6579 11.6579 11.6601 11.6601 13.6450 13.6450 13.6475 13.6475 k = 0.0357 0.5000 0.2298 ( 4828 PWs) bands (ev): -30.8110 -30.8110 -30.8110 -30.8110 -14.7705 -14.7705 -14.7685 -14.7685 -12.0392 -12.0392 -12.0214 -12.0214 -11.7241 -11.7241 -11.7171 -11.7171 -11.5050 -11.5050 -11.4816 -11.4816 -1.2688 -1.2688 -1.2683 -1.2683 3.5907 3.5907 3.5995 3.5995 3.7695 3.7695 3.7900 3.7900 4.0243 4.0243 4.0362 4.0362 5.0540 5.0540 5.0559 5.0559 6.8767 6.8767 6.9101 6.9101 7.0456 7.0456 7.0743 7.0743 8.7862 8.7862 8.8015 8.8015 9.1295 9.1295 9.1536 9.1536 9.3344 9.3344 9.3391 9.3391 11.1547 11.1547 11.1575 11.1575 11.6684 11.6684 11.6715 11.6715 13.6557 13.6557 13.6593 13.6593 k = 0.0476 0.5000 0.2298 ( 4824 PWs) bands (ev): -30.8109 -30.8109 -30.8109 -30.8109 -14.7716 -14.7716 -14.7688 -14.7688 -12.0426 -12.0426 -12.0190 -12.0190 -11.7259 -11.7259 -11.7169 -11.7169 -11.5072 -11.5072 -11.4765 -11.4765 -1.2649 -1.2649 -1.2641 -1.2641 3.5828 3.5828 3.5948 3.5948 3.7379 3.7379 3.7613 3.7613 4.0649 4.0649 4.0766 4.0766 5.0549 5.0549 5.0574 5.0574 6.8665 6.8665 6.9097 6.9097 7.0418 7.0418 7.0787 7.0787 8.7651 8.7651 8.7833 8.7833 9.1423 9.1423 9.1726 9.1726 9.3305 9.3305 9.3371 9.3371 11.1092 11.1092 11.1129 11.1129 11.6789 11.6789 11.6830 11.6830 13.6703 13.6703 13.6747 13.6747 k = 0.0595 0.5000 0.2298 ( 4824 PWs) bands (ev): -30.8108 -30.8108 -30.8108 -30.8108 -14.7728 -14.7728 -14.7695 -14.7695 -12.0460 -12.0460 -12.0167 -12.0167 -11.7277 -11.7277 -11.7170 -11.7170 -11.5088 -11.5088 -11.4712 -11.4712 -1.2598 -1.2598 -1.2588 -1.2588 3.5704 3.5704 3.5848 3.5848 3.7121 3.7121 3.7375 3.7375 4.1061 4.1061 4.1175 4.1175 5.0560 5.0560 5.0592 5.0592 6.8552 6.8552 6.9069 6.9069 7.0392 7.0392 7.0831 7.0831 8.7415 8.7415 8.7615 8.7615 9.1567 9.1567 9.1923 9.1923 9.3262 9.3262 9.3349 9.3349 11.0570 11.0570 11.0617 11.0617 11.6873 11.6873 11.6925 11.6925 13.6883 13.6883 13.6933 13.6933 k = 0.0714 0.5000 0.2298 ( 4832 PWs) bands (ev): -30.8106 -30.8106 -30.8106 -30.8106 -14.7743 -14.7743 -14.7703 -14.7703 -12.0495 -12.0495 -12.0147 -12.0147 -11.7296 -11.7296 -11.7175 -11.7175 -11.5098 -11.5098 -11.4658 -11.4658 -1.2535 -1.2535 -1.2524 -1.2524 3.5522 3.5522 3.5672 3.5672 3.6949 3.6949 3.7204 3.7204 4.1474 4.1474 4.1585 4.1585 5.0574 5.0574 5.0612 5.0612 6.8426 6.8426 6.9015 6.9015 7.0379 7.0379 7.0876 7.0876 8.7161 8.7161 8.7373 8.7373 9.1706 9.1706 9.2106 9.2106 9.3228 9.3228 9.3335 9.3335 11.0003 11.0003 11.0062 11.0062 11.6923 11.6923 11.6986 11.6986 13.7091 13.7091 13.7143 13.7143 k = 0.0833 0.5000 0.2298 ( 4824 PWs) bands (ev): -30.8105 -30.8105 -30.8105 -30.8105 -14.7759 -14.7759 -14.7713 -14.7713 -12.0530 -12.0530 -12.0129 -12.0129 -11.7315 -11.7315 -11.7184 -11.7184 -11.5101 -11.5101 -11.4603 -11.4603 -1.2462 -1.2462 -1.2449 -1.2449 3.5284 3.5284 3.5420 3.5420 3.6863 3.6863 3.7101 3.7101 4.1886 4.1886 4.1994 4.1994 5.0588 5.0588 5.0632 5.0632 6.8290 6.8290 6.8934 6.8934 7.0384 7.0384 7.0922 7.0922 8.6896 8.6896 8.7115 8.7115 9.1822 9.1822 9.2248 9.2248 9.3225 9.3225 9.3338 9.3338 10.9410 10.9410 10.9481 10.9481 11.6931 11.6931 11.7006 11.7006 13.7321 13.7321 13.7373 13.7373 k = 0.0952 0.5000 0.2298 ( 4828 PWs) bands (ev): -30.8102 -30.8102 -30.8102 -30.8102 -14.7777 -14.7777 -14.7725 -14.7725 -12.0565 -12.0565 -12.0114 -12.0114 -11.7333 -11.7333 -11.7196 -11.7196 -11.5099 -11.5099 -11.4548 -11.4548 -1.2378 -1.2378 -1.2363 -1.2363 3.5002 3.5002 3.5116 3.5116 3.6843 3.6843 3.7055 3.7055 4.2294 4.2294 4.2400 4.2400 5.0602 5.0602 5.0653 5.0653 6.8143 6.8143 6.8828 6.8828 7.0406 7.0406 7.0971 7.0971 8.6623 8.6623 8.6846 8.6846 9.1892 9.1892 9.2313 9.2313 9.3282 9.3282 9.3373 9.3373 10.8803 10.8803 10.8886 10.8886 11.6895 11.6895 11.6981 11.6981 13.7568 13.7568 13.7616 13.7616 k = 0.1071 0.5000 0.2298 ( 4824 PWs) bands (ev): -30.8100 -30.8100 -30.8100 -30.8100 -14.7797 -14.7797 -14.7740 -14.7740 -12.0600 -12.0600 -12.0100 -12.0100 -11.7351 -11.7351 -11.7210 -11.7210 -11.5092 -11.5092 -11.4492 -11.4492 -1.2284 -1.2284 -1.2267 -1.2267 3.4691 3.4691 3.4783 3.4783 3.6863 3.6863 3.7052 3.7052 4.2697 4.2697 4.2801 4.2801 5.0615 5.0615 5.0673 5.0673 6.7986 6.7986 6.8700 6.8700 7.0443 7.0443 7.1024 7.1024 8.6346 8.6346 8.6571 8.6571 9.1903 9.1903 9.2284 9.2284 9.3411 9.3411 9.3449 9.3449 10.8192 10.8192 10.8289 10.8289 11.6813 11.6813 11.6912 11.6912 13.7827 13.7827 13.7869 13.7869 k = 0.1190 0.5000 0.2298 ( 4828 PWs) bands (ev): -30.8098 -30.8098 -30.8098 -30.8098 -14.7818 -14.7818 -14.7756 -14.7756 -12.0634 -12.0634 -12.0089 -12.0089 -11.7369 -11.7369 -11.7228 -11.7228 -11.5079 -11.5079 -11.4438 -11.4438 -1.2180 -1.2180 -1.2162 -1.2162 3.4364 3.4364 3.4438 3.4438 3.6910 3.6910 3.7078 3.7078 4.3094 4.3094 4.3196 4.3196 5.0626 5.0626 5.0691 5.0691 6.7822 6.7822 6.8553 6.8553 7.0495 7.0495 7.1082 7.1082 8.6068 8.6068 8.6292 8.6292 9.1851 9.1851 9.2180 9.2180 9.3566 9.3566 9.3592 9.3592 10.7586 10.7586 10.7697 10.7697 11.6689 11.6689 11.6799 11.6799 13.8097 13.8097 13.8130 13.8130 k = 0.1310 0.5000 0.2298 ( 4820 PWs) bands (ev): -30.8095 -30.8095 -30.8095 -30.8095 -14.7840 -14.7840 -14.7774 -14.7774 -12.0667 -12.0667 -12.0080 -12.0080 -11.7385 -11.7385 -11.7248 -11.7248 -11.5061 -11.5061 -11.4385 -11.4385 -1.2067 -1.2067 -1.2047 -1.2047 3.4030 3.4030 3.4090 3.4090 3.6975 3.6975 3.7126 3.7126 4.3484 4.3484 4.3584 4.3584 5.0634 5.0634 5.0704 5.0704 6.7652 6.7652 6.8392 6.8392 7.0560 7.0560 7.1146 7.1146 8.5789 8.5789 8.6013 8.6013 9.1740 9.1740 9.2022 9.2022 9.3717 9.3717 9.3801 9.3801 10.6992 10.6992 10.7118 10.7118 11.6526 11.6526 11.6648 11.6648 13.8375 13.8375 13.8398 13.8398 k = 0.1429 0.5000 0.2298 ( 4824 PWs) bands (ev): -30.8092 -30.8092 -30.8092 -30.8092 -14.7864 -14.7864 -14.7793 -14.7793 -12.0699 -12.0699 -12.0073 -12.0073 -11.7401 -11.7401 -11.7269 -11.7269 -11.5039 -11.5039 -11.4333 -11.4333 -1.1944 -1.1944 -1.1923 -1.1923 3.3694 3.3694 3.3743 3.3743 3.7052 3.7052 3.7190 3.7190 4.3866 4.3866 4.3965 4.3965 5.0635 5.0635 5.0712 5.0712 6.7478 6.7478 6.8220 6.8220 7.0637 7.0637 7.1216 7.1216 8.5512 8.5512 8.5734 8.5734 9.1582 9.1582 9.1824 9.1824 9.3889 9.3889 9.4020 9.4020 10.6414 10.6414 10.6555 10.6555 11.6328 11.6328 11.6462 11.6462 13.8660 13.8660 13.8671 13.8671 k = 0.1548 0.5000 0.2298 ( 4832 PWs) bands (ev): -30.8089 -30.8089 -30.8089 -30.8089 -14.7890 -14.7890 -14.7815 -14.7815 -12.0730 -12.0730 -12.0068 -12.0068 -11.7416 -11.7416 -11.7292 -11.7292 -11.5014 -11.5014 -11.4283 -11.4283 -1.1813 -1.1813 -1.1790 -1.1790 3.3361 3.3361 3.3402 3.3402 3.7140 3.7140 3.7266 3.7266 4.4239 4.4239 4.4336 4.4336 5.0630 5.0630 5.0713 5.0713 6.7302 6.7302 6.8042 6.8042 7.0724 7.0724 7.1293 7.1293 8.5238 8.5238 8.5458 8.5458 9.1383 9.1383 9.1595 9.1595 9.4071 9.4071 9.4241 9.4241 10.5856 10.5856 10.6012 10.6012 11.6102 11.6102 11.6246 11.6246 13.8950 13.8950 13.8952 13.8952 k = 0.1667 0.5000 0.2298 ( 4844 PWs) bands (ev): -30.8086 -30.8086 -30.8086 -30.8086 -14.7916 -14.7916 -14.7837 -14.7837 -12.0759 -12.0759 -12.0066 -12.0066 -11.7430 -11.7430 -11.7316 -11.7316 -11.4985 -11.4985 -11.4234 -11.4234 -1.1674 -1.1674 -1.1650 -1.1650 3.3033 3.3033 3.3067 3.3067 3.7234 3.7234 3.7351 3.7351 4.4602 4.4602 4.4697 4.4697 5.0616 5.0616 5.0704 5.0704 6.7126 6.7126 6.7861 6.7861 7.0822 7.0822 7.1378 7.1378 8.4968 8.4968 8.5185 8.5185 9.1152 9.1152 9.1338 9.1338 9.4257 9.4257 9.4460 9.4460 10.5320 10.5320 10.5491 10.5491 11.5853 11.5853 11.6006 11.6006 13.9235 13.9235 13.9249 13.9249 k = 0.1786 0.5000 0.2298 ( 4840 PWs) bands (ev): -30.8082 -30.8082 -30.8082 -30.8082 -14.7943 -14.7943 -14.7862 -14.7862 -12.0787 -12.0787 -12.0066 -12.0066 -11.7443 -11.7443 -11.7339 -11.7339 -11.4953 -11.4953 -11.4189 -11.4189 -1.1528 -1.1528 -1.1502 -1.1502 3.2712 3.2712 3.2741 3.2741 3.7335 3.7335 3.7444 3.7444 4.4954 4.4954 4.5049 4.5049 5.0591 5.0591 5.0684 5.0684 6.6955 6.6955 6.7681 6.7681 7.0931 7.0931 7.1471 7.1471 8.4703 8.4703 8.4917 8.4917 9.0893 9.0893 9.1058 9.1058 9.4443 9.4443 9.4672 9.4672 10.4808 10.4808 10.4994 10.4994 11.5585 11.5585 11.5748 11.5748 13.9522 13.9522 13.9550 13.9550 k = 0.1905 0.5000 0.2298 ( 4840 PWs) bands (ev): -30.8079 -30.8079 -30.8079 -30.8079 -14.7971 -14.7971 -14.7887 -14.7887 -12.0812 -12.0812 -12.0068 -12.0068 -11.7454 -11.7454 -11.7363 -11.7363 -11.4919 -11.4919 -11.4145 -11.4145 -1.1374 -1.1374 -1.1348 -1.1348 3.2400 3.2400 3.2425 3.2425 3.7440 3.7440 3.7542 3.7542 4.5296 4.5296 4.5389 4.5389 5.0554 5.0554 5.0652 5.0652 6.6790 6.6790 6.7504 6.7504 7.1049 7.1049 7.1572 7.1572 8.4444 8.4444 8.4655 8.4655 9.0611 9.0611 9.0757 9.0757 9.4624 9.4624 9.4875 9.4875 10.4319 10.4319 10.4519 10.4519 11.5305 11.5305 11.5475 11.5475 13.9811 13.9811 13.9853 13.9853 k = 0.2024 0.5000 0.2298 ( 4852 PWs) bands (ev): -30.8075 -30.8075 -30.8075 -30.8075 -14.8000 -14.8000 -14.7914 -14.7914 -12.0836 -12.0836 -12.0073 -12.0073 -11.7465 -11.7465 -11.7387 -11.7387 -11.4884 -11.4884 -11.4105 -11.4105 -1.1216 -1.1216 -1.1188 -1.1188 3.2098 3.2098 3.2119 3.2119 3.7549 3.7549 3.7645 3.7645 4.5626 4.5626 4.5718 4.5718 5.0503 5.0503 5.0605 5.0605 6.6635 6.6635 6.7334 6.7334 7.1176 7.1176 7.1682 7.1682 8.4191 8.4191 8.4398 8.4398 9.0308 9.0308 9.0438 9.0438 9.4796 9.4796 9.5068 9.5068 10.3852 10.3852 10.4067 10.4067 11.5017 11.5017 11.5194 11.5194 14.0099 14.0099 14.0155 14.0155 k = 0.2143 0.5000 0.2298 ( 4864 PWs) bands (ev): -30.8071 -30.8071 -30.8071 -30.8071 -14.8029 -14.8029 -14.7941 -14.7941 -12.0857 -12.0857 -12.0079 -12.0079 -11.7475 -11.7475 -11.7409 -11.7409 -11.4847 -11.4847 -11.4067 -11.4067 -1.1051 -1.1051 -1.1023 -1.1023 3.1806 3.1806 3.1824 3.1824 3.7661 3.7661 3.7751 3.7751 4.5945 4.5945 4.6034 4.6034 5.0437 5.0437 5.0541 5.0541 6.6491 6.6491 6.7173 6.7173 7.1314 7.1314 7.1802 7.1802 8.3945 8.3945 8.4149 8.4149 8.9989 8.9989 9.0103 9.0103 9.4960 9.4960 9.5250 9.5250 10.3407 10.3407 10.3635 10.3635 11.4726 11.4726 11.4909 11.4909 14.0381 14.0381 14.0451 14.0451 k = 0.2262 0.5000 0.2298 ( 4860 PWs) bands (ev): -30.8067 -30.8067 -30.8067 -30.8067 -14.8058 -14.8058 -14.7969 -14.7969 -12.0876 -12.0876 -12.0088 -12.0088 -11.7484 -11.7484 -11.7431 -11.7431 -11.4809 -11.4809 -11.4032 -11.4032 -1.0883 -1.0883 -1.0854 -1.0854 3.1526 3.1526 3.1542 3.1542 3.7774 3.7774 3.7859 3.7859 4.6251 4.6251 4.6339 4.6339 5.0355 5.0355 5.0460 5.0460 6.6361 6.6361 6.7025 6.7025 7.1462 7.1462 7.1931 7.1931 8.3708 8.3708 8.3907 8.3907 8.9658 8.9658 8.9757 8.9757 9.5112 9.5112 9.5418 9.5418 10.2982 10.2982 10.3223 10.3223 11.4437 11.4437 11.4624 11.4624 14.0655 14.0655 14.0739 14.0739 k = 0.2381 0.5000 0.2298 ( 4860 PWs) bands (ev): -30.8064 -30.8064 -30.8064 -30.8064 -14.8088 -14.8088 -14.7998 -14.7998 -12.0892 -12.0892 -12.0098 -12.0098 -11.7492 -11.7492 -11.7451 -11.7451 -11.4771 -11.4771 -11.4000 -11.4000 -1.0711 -1.0711 -1.0681 -1.0681 3.1257 3.1257 3.1271 3.1271 3.7887 3.7887 3.7968 3.7968 4.6544 4.6544 4.6631 4.6631 5.0255 5.0255 5.0361 5.0361 6.6247 6.6247 6.6890 6.6890 7.1620 7.1620 7.2070 7.2070 8.3479 8.3479 8.3673 8.3673 8.9316 8.9316 8.9402 8.9402 9.5251 9.5251 9.5572 9.5572 10.2576 10.2576 10.2828 10.2828 11.4154 11.4154 11.4343 11.4343 14.0916 14.0916 14.1014 14.1014 k = 0.2500 0.5000 0.2298 ( 4856 PWs) bands (ev): -30.8060 -30.8060 -30.8060 -30.8060 -14.8117 -14.8117 -14.8028 -14.8028 -12.0905 -12.0905 -12.0110 -12.0110 -11.7499 -11.7499 -11.7469 -11.7469 -11.4731 -11.4731 -11.3972 -11.3972 -1.0536 -1.0536 -1.0506 -1.0506 3.1001 3.1001 3.1014 3.1014 3.8001 3.8001 3.8077 3.8077 4.6824 4.6824 4.6910 4.6910 5.0139 5.0139 5.0244 5.0244 6.6151 6.6151 6.6771 6.6771 7.1789 7.1789 7.2219 7.2219 8.3258 8.3258 8.3448 8.3448 8.8967 8.8967 8.9040 8.9040 9.5376 9.5376 9.5710 9.5710 10.2186 10.2186 10.2449 10.2449 11.3880 11.3880 11.4070 11.4070 14.1162 14.1162 14.1272 14.1272 k = 0.2619 0.5000 0.2298 ( 4852 PWs) bands (ev): -30.8056 -30.8056 -30.8056 -30.8056 -14.8146 -14.8146 -14.8058 -14.8058 -12.0916 -12.0916 -12.0124 -12.0124 -11.7505 -11.7505 -11.7487 -11.7487 -11.4692 -11.4692 -11.3946 -11.3946 -1.0359 -1.0359 -1.0329 -1.0329 3.0757 3.0757 3.0769 3.0769 3.8114 3.8114 3.8186 3.8186 4.7090 4.7090 4.7176 4.7176 5.0007 5.0007 5.0109 5.0109 6.6073 6.6073 6.6668 6.6668 7.1968 7.1968 7.2378 7.2378 8.3048 8.3048 8.3232 8.3232 8.8614 8.8614 8.8675 8.8675 9.5485 9.5485 9.5832 9.5832 10.1812 10.1812 10.2084 10.2084 11.3617 11.3617 11.3808 11.3808 14.1390 14.1390 14.1509 14.1509 k = 0.2738 0.5000 0.2298 ( 4864 PWs) bands (ev): -30.8052 -30.8052 -30.8052 -30.8052 -14.8175 -14.8175 -14.8088 -14.8088 -12.0924 -12.0924 -12.0140 -12.0140 -11.7511 -11.7511 -11.7503 -11.7503 -11.4653 -11.4653 -11.3924 -11.3924 -1.0182 -1.0182 -1.0151 -1.0151 3.0526 3.0526 3.0537 3.0537 3.8224 3.8224 3.8293 3.8293 4.7341 4.7341 4.7427 4.7427 4.9861 4.9861 4.9958 4.9958 6.6013 6.6013 6.6582 6.6582 7.2157 7.2157 7.2548 7.2548 8.2846 8.2846 8.3025 8.3025 8.8260 8.8260 8.8309 8.8309 9.5577 9.5577 9.5934 9.5934 10.1452 10.1452 10.1732 10.1732 11.3369 11.3369 11.3557 11.3557 14.1598 14.1598 14.1726 14.1726 k = 0.2857 0.5000 0.2298 ( 4860 PWs) bands (ev): -30.8048 -30.8048 -30.8048 -30.8048 -14.8204 -14.8204 -14.8118 -14.8118 -12.0929 -12.0929 -12.0157 -12.0157 -11.7517 -11.7517 -11.7516 -11.7516 -11.4614 -11.4614 -11.3905 -11.3905 -1.0005 -1.0005 -0.9974 -0.9974 3.0309 3.0309 3.0318 3.0318 3.8333 3.8333 3.8397 3.8397 4.7575 4.7575 4.7662 4.7662 4.9703 4.9703 4.9793 4.9793 6.5972 6.5972 6.6513 6.6513 7.2357 7.2357 7.2727 7.2727 8.2655 8.2655 8.2828 8.2828 8.7907 8.7907 8.7944 8.7944 9.5651 9.5651 9.6017 9.6017 10.1108 10.1108 10.1395 10.1395 11.3137 11.3137 11.3322 11.3322 14.1788 14.1788 14.1920 14.1920 k = 0.2976 0.5000 0.2298 ( 4864 PWs) bands (ev): -30.8044 -30.8044 -30.8044 -30.8044 -14.8232 -14.8232 -14.8147 -14.8147 -12.0931 -12.0931 -12.0176 -12.0176 -11.7529 -11.7529 -11.7521 -11.7521 -11.4576 -11.4576 -11.3890 -11.3890 -0.9829 -0.9829 -0.9799 -0.9799 3.0104 3.0104 3.0113 3.0113 3.8438 3.8438 3.8499 3.8499 4.7789 4.7789 4.7879 4.7879 4.9538 4.9538 4.9618 4.9618 6.5948 6.5948 6.6460 6.6460 7.2566 7.2566 7.2915 7.2915 8.2475 8.2475 8.2641 8.2641 8.7557 8.7557 8.7583 8.7583 9.5705 9.5705 9.6077 9.6077 10.0780 10.0780 10.1071 10.1071 11.2922 11.2922 11.3103 11.3103 14.1959 14.1959 14.2094 14.2094 k = 0.3095 0.5000 0.2298 ( 4876 PWs) bands (ev): -30.8041 -30.8041 -30.8041 -30.8041 -14.8259 -14.8259 -14.8177 -14.8177 -12.0931 -12.0931 -12.0196 -12.0196 -11.7540 -11.7540 -11.7525 -11.7525 -11.4538 -11.4538 -11.3877 -11.3877 -0.9655 -0.9655 -0.9625 -0.9625 2.9913 2.9913 2.9922 2.9922 3.8540 3.8540 3.8596 3.8596 4.7976 4.7976 4.8072 4.8072 4.9376 4.9376 4.9442 4.9442 6.5941 6.5941 6.6422 6.6422 7.2785 7.2785 7.3112 7.3112 8.2306 8.2306 8.2464 8.2464 8.7211 8.7211 8.7228 8.7228 9.5737 9.5737 9.6113 9.6113 10.0470 10.0470 10.0763 10.0763 11.2725 11.2725 11.2900 11.2900 14.2113 14.2113 14.2248 14.2248 k = 0.3214 0.5000 0.2298 ( 4876 PWs) bands (ev): -30.8037 -30.8037 -30.8037 -30.8037 -14.8285 -14.8285 -14.8206 -14.8206 -12.0928 -12.0928 -12.0218 -12.0218 -11.7550 -11.7550 -11.7529 -11.7529 -11.4500 -11.4500 -11.3868 -11.3868 -0.9485 -0.9485 -0.9456 -0.9456 2.9736 2.9736 2.9743 2.9743 3.8637 3.8637 3.8690 3.8690 4.8123 4.8123 4.8230 4.8230 4.9232 4.9232 4.9279 4.9279 6.5948 6.5948 6.6398 6.6398 7.3012 7.3012 7.3318 7.3318 8.2148 8.2148 8.2297 8.2297 8.6873 8.6873 8.6880 8.6880 9.5747 9.5747 9.6123 9.6123 10.0181 10.0181 10.0473 10.0473 11.2548 11.2548 11.2715 11.2715 14.2252 14.2252 14.2384 14.2384 k = 0.3333 0.5000 0.2298 ( 4884 PWs) bands (ev): -30.8034 -30.8034 -30.8034 -30.8034 -14.8310 -14.8310 -14.8234 -14.8234 -12.0923 -12.0923 -12.0241 -12.0241 -11.7558 -11.7558 -11.7532 -11.7532 -11.4464 -11.4464 -11.3862 -11.3862 -0.9319 -0.9319 -0.9291 -0.9291 2.9571 2.9571 2.9579 2.9579 3.8729 3.8729 3.8778 3.8778 4.8204 4.8204 4.8325 4.8325 4.9135 4.9135 4.9158 4.9158 6.5967 6.5967 6.6386 6.6386 7.3247 7.3247 7.3531 7.3531 8.2001 8.2001 8.2142 8.2142 8.6541 8.6541 8.6543 8.6543 9.5733 9.5733 9.6104 9.6104 9.9915 9.9915 10.0202 10.0202 11.2389 11.2389 11.2548 11.2548 14.2378 14.2378 14.2506 14.2506 k = 0.3452 0.5000 0.2298 ( 4888 PWs) bands (ev): -30.8030 -30.8030 -30.8030 -30.8030 -14.8334 -14.8334 -14.8261 -14.8261 -12.0914 -12.0914 -12.0265 -12.0265 -11.7564 -11.7564 -11.7535 -11.7535 -11.4427 -11.4427 -11.3859 -11.3859 -0.9158 -0.9158 -0.9131 -0.9131 2.9420 2.9420 2.9427 2.9427 3.8816 3.8816 3.8862 3.8862 4.8192 4.8192 4.8320 4.8320 4.9115 4.9115 4.9122 4.9122 6.5998 6.5998 6.6384 6.6384 7.3488 7.3488 7.3750 7.3750 8.1866 8.1866 8.1997 8.1997 8.6213 8.6213 8.6222 8.6222 9.5695 9.5695 9.6056 9.6056 9.9677 9.9677 9.9954 9.9954 11.2248 11.2248 11.2398 11.2398 14.2493 14.2493 14.2615 14.2615 k = 0.3571 0.5000 0.2298 ( 4880 PWs) bands (ev): -30.8027 -30.8027 -30.8027 -30.8027 -14.8356 -14.8356 -14.8288 -14.8288 -12.0904 -12.0904 -12.0289 -12.0289 -11.7569 -11.7569 -11.7538 -11.7538 -11.4392 -11.4392 -11.3858 -11.3858 -0.9004 -0.9004 -0.8978 -0.8978 2.9282 2.9282 2.9289 2.9289 3.8897 3.8897 3.8939 3.8939 4.8092 4.8092 4.8213 4.8213 4.9170 4.9170 4.9174 4.9174 6.6036 6.6036 6.6390 6.6390 7.3733 7.3733 7.3973 7.3973 8.1743 8.1743 8.1864 8.1864 8.5896 8.5896 8.5913 8.5913 9.5632 9.5632 9.5978 9.5978 9.9468 9.9468 9.9730 9.9730 11.2124 11.2124 11.2265 11.2265 14.2598 14.2598 14.2712 14.2712 k = 0.3690 0.5000 0.2298 ( 4888 PWs) bands (ev): -30.8024 -30.8024 -30.8024 -30.8024 -14.8377 -14.8377 -14.8313 -14.8313 -12.0891 -12.0891 -12.0315 -12.0315 -11.7574 -11.7574 -11.7541 -11.7541 -11.4357 -11.4357 -11.3861 -11.3861 -0.8858 -0.8858 -0.8833 -0.8833 2.9157 2.9157 2.9163 2.9163 3.8972 3.8972 3.9011 3.9011 4.7941 4.7941 4.8049 4.8049 4.9267 4.9267 4.9274 4.9274 6.6081 6.6081 6.6403 6.6403 7.3980 7.3980 7.4199 7.4199 8.1632 8.1632 8.1742 8.1742 8.5593 8.5593 8.5616 8.5616 9.5547 9.5547 9.5872 9.5872 9.9291 9.9291 9.9533 9.9533 11.2016 11.2016 11.2147 11.2147 14.2693 14.2693 14.2800 14.2800 k = 0.3810 0.5000 0.2298 ( 4888 PWs) bands (ev): -30.8022 -30.8022 -30.8022 -30.8022 -14.8396 -14.8396 -14.8337 -14.8337 -12.0875 -12.0875 -12.0342 -12.0342 -11.7577 -11.7577 -11.7544 -11.7544 -11.4323 -11.4323 -11.3865 -11.3865 -0.8720 -0.8720 -0.8697 -0.8697 2.9044 2.9044 2.9050 2.9050 3.9041 3.9041 3.9076 3.9076 4.7768 4.7768 4.7863 4.7863 4.9379 4.9379 4.9389 4.9389 6.6131 6.6131 6.6420 6.6420 7.4226 7.4226 7.4424 7.4424 8.1532 8.1532 8.1632 8.1632 8.5304 8.5304 8.5332 8.5332 9.5442 9.5442 9.5741 9.5741 9.9143 9.9143 9.9363 9.9363 11.1925 11.1925 11.2044 11.2044 14.2782 14.2782 14.2880 14.2880 k = 0.3929 0.5000 0.2298 ( 4884 PWs) bands (ev): -30.8019 -30.8019 -30.8019 -30.8019 -14.8413 -14.8413 -14.8359 -14.8359 -12.0858 -12.0858 -12.0370 -12.0370 -11.7579 -11.7579 -11.7546 -11.7546 -11.4289 -11.4289 -11.3872 -11.3872 -0.8592 -0.8592 -0.8571 -0.8571 2.8944 2.8944 2.8949 2.8949 3.9103 3.9103 3.9134 3.9134 4.7590 4.7590 4.7673 4.7673 4.9493 4.9493 4.9504 4.9504 6.6182 6.6182 6.6440 6.6440 7.4469 7.4469 7.4645 7.4645 8.1445 8.1445 8.1533 8.1533 8.5031 8.5031 8.5064 8.5064 9.5321 9.5321 9.5591 9.5591 9.9025 9.9025 9.9218 9.9218 11.1847 11.1847 11.1955 11.1955 14.2862 14.2862 14.2952 14.2952 k = 0.4048 0.5000 0.2298 ( 4888 PWs) bands (ev): -30.8017 -30.8017 -30.8017 -30.8017 -14.8429 -14.8429 -14.8380 -14.8380 -12.0839 -12.0839 -12.0398 -12.0398 -11.7580 -11.7580 -11.7549 -11.7549 -11.4257 -11.4257 -11.3882 -11.3882 -0.8475 -0.8475 -0.8455 -0.8455 2.8855 2.8855 2.8860 2.8860 3.9159 3.9159 3.9186 3.9186 4.7416 4.7416 4.7489 4.7489 4.9602 4.9602 4.9613 4.9613 6.6234 6.6234 6.6461 6.6461 7.4705 7.4705 7.4860 7.4860 8.1369 8.1369 8.1445 8.1445 8.4777 8.4777 8.4812 8.4812 9.5191 9.5191 9.5429 9.5429 9.8931 9.8931 9.9098 9.9098 11.1781 11.1781 11.1878 11.1878 14.2936 14.2936 14.3016 14.3016 k = 0.4167 0.5000 0.2298 ( 4884 PWs) bands (ev): -30.8015 -30.8015 -30.8015 -30.8015 -14.8442 -14.8442 -14.8399 -14.8399 -12.0818 -12.0818 -12.0427 -12.0427 -11.7580 -11.7580 -11.7551 -11.7551 -11.4225 -11.4225 -11.3894 -11.3894 -0.8368 -0.8368 -0.8351 -0.8351 2.8779 2.8779 2.8783 2.8783 3.9208 3.9208 3.9232 3.9232 4.7254 4.7254 4.7316 4.7316 4.9702 4.9702 4.9712 4.9712 6.6285 6.6285 6.6481 6.6481 7.4930 7.4930 7.5065 7.5065 8.1305 8.1305 8.1369 8.1369 8.4542 8.4542 8.4580 8.4580 9.5057 9.5057 9.5263 9.5263 9.8859 9.8859 9.9000 9.9000 11.1728 11.1728 11.1813 11.1813 14.3004 14.3004 14.3074 14.3074 k = 0.4286 0.5000 0.2298 ( 4884 PWs) bands (ev): -30.8013 -30.8013 -30.8013 -30.8013 -14.8454 -14.8454 -14.8416 -14.8416 -12.0795 -12.0795 -12.0456 -12.0456 -11.7580 -11.7580 -11.7554 -11.7554 -11.4194 -11.4194 -11.3908 -11.3908 -0.8274 -0.8274 -0.8259 -0.8259 2.8713 2.8713 2.8717 2.8717 3.9250 3.9250 3.9271 3.9271 4.7106 4.7106 4.7159 4.7159 4.9791 4.9791 4.9800 4.9800 6.6333 6.6333 6.6500 6.6500 7.5140 7.5140 7.5254 7.5254 8.1252 8.1252 8.1305 8.1305 8.4331 8.4331 8.4368 8.4368 9.4926 9.4926 9.5101 9.5101 9.8805 9.8805 9.8921 9.8921 11.1685 11.1685 11.1758 11.1758 14.3064 14.3064 14.3124 14.3124 k = 0.4405 0.5000 0.2298 ( 4892 PWs) bands (ev): -30.8011 -30.8011 -30.8011 -30.8011 -14.8463 -14.8463 -14.8431 -14.8431 -12.0771 -12.0771 -12.0486 -12.0486 -11.7579 -11.7579 -11.7556 -11.7556 -11.4164 -11.4164 -11.3924 -11.3924 -0.8193 -0.8193 -0.8181 -0.8181 2.8658 2.8658 2.8661 2.8661 3.9286 3.9286 3.9303 3.9303 4.6977 4.6977 4.7021 4.7021 4.9868 4.9868 4.9876 4.9876 6.6377 6.6377 6.6515 6.6515 7.5329 7.5329 7.5424 7.5424 8.1210 8.1210 8.1251 8.1251 8.4144 8.4144 8.4180 8.4180 9.4805 9.4805 9.4949 9.4949 9.8765 9.8765 9.8858 9.8858 11.1651 11.1651 11.1712 11.1712 14.3117 14.3117 14.3168 14.3168 k = 0.4524 0.5000 0.2298 ( 4896 PWs) bands (ev): -30.8010 -30.8010 -30.8010 -30.8010 -14.8470 -14.8470 -14.8444 -14.8444 -12.0746 -12.0746 -12.0516 -12.0516 -11.7578 -11.7578 -11.7559 -11.7559 -11.4135 -11.4135 -11.3942 -11.3942 -0.8126 -0.8126 -0.8115 -0.8115 2.8614 2.8614 2.8616 2.8616 3.9315 3.9315 3.9329 3.9329 4.6869 4.6869 4.6904 4.6904 4.9932 4.9932 4.9938 4.9938 6.6417 6.6417 6.6527 6.6527 7.5494 7.5494 7.5569 7.5569 8.1177 8.1177 8.1208 8.1208 8.3986 8.3986 8.4018 8.4018 9.4700 9.4700 9.4813 9.4813 9.8737 9.8737 9.8809 9.8809 11.1625 11.1625 11.1674 11.1674 14.3163 14.3163 14.3203 14.3203 k = 0.4643 0.5000 0.2298 ( 4908 PWs) bands (ev): -30.8009 -30.8009 -30.8009 -30.8009 -14.8475 -14.8475 -14.8456 -14.8456 -12.0719 -12.0719 -12.0546 -12.0546 -11.7576 -11.7576 -11.7562 -11.7562 -11.4107 -11.4107 -11.3962 -11.3962 -0.8073 -0.8073 -0.8065 -0.8065 2.8579 2.8579 2.8581 2.8581 3.9338 3.9338 3.9348 3.9348 4.6784 4.6784 4.6810 4.6810 4.9982 4.9982 4.9987 4.9987 6.6452 6.6452 6.6534 6.6534 7.5630 7.5630 7.5686 7.5686 8.1154 8.1154 8.1175 8.1175 8.3860 8.3860 8.3886 8.3886 9.4615 9.4615 9.4699 9.4699 9.8719 9.8719 9.8771 9.8771 11.1608 11.1608 11.1644 11.1644 14.3200 14.3200 14.3230 14.3230 k = 0.4762 0.5000 0.2298 ( 4908 PWs) bands (ev): -30.8008 -30.8008 -30.8008 -30.8008 -14.8477 -14.8477 -14.8464 -14.8464 -12.0692 -12.0692 -12.0576 -12.0576 -11.7574 -11.7574 -11.7564 -11.7564 -11.4080 -11.4080 -11.3983 -11.3983 -0.8034 -0.8034 -0.8028 -0.8028 2.8555 2.8555 2.8557 2.8557 3.9355 3.9355 3.9361 3.9361 4.6723 4.6723 4.6740 4.6740 5.0019 5.0019 5.0022 5.0022 6.6481 6.6481 6.6535 6.6535 7.5733 7.5733 7.5770 7.5770 8.1139 8.1139 8.1152 8.1152 8.3769 8.3769 8.3788 8.3788 9.4556 9.4556 9.4611 9.4611 9.8709 9.8709 9.8743 9.8743 11.1597 11.1597 11.1622 11.1622 14.3229 14.3229 14.3249 14.3249 k = 0.4881 0.5000 0.2298 ( 4912 PWs) bands (ev): -30.8008 -30.8008 -30.8008 -30.8008 -14.8477 -14.8477 -14.8471 -14.8471 -12.0664 -12.0664 -12.0605 -12.0605 -11.7572 -11.7572 -11.7567 -11.7567 -11.4054 -11.4054 -11.4005 -11.4005 -0.8010 -0.8010 -0.8007 -0.8007 2.8541 2.8541 2.8542 2.8542 3.9365 3.9365 3.9369 3.9369 4.6688 4.6688 4.6697 4.6697 5.0041 5.0041 5.0043 5.0043 6.6504 6.6504 6.6531 6.6531 7.5800 7.5800 7.5819 7.5819 8.1131 8.1131 8.1138 8.1138 8.3716 8.3716 8.3725 8.3725 9.4524 9.4524 9.4552 9.4552 9.8706 9.8706 9.8723 9.8723 11.1594 11.1594 11.1606 11.1606 14.3248 14.3248 14.3259 14.3259 k = 0.5000 0.5000 0.2298 ( 4904 PWs) bands (ev): -30.8008 -30.8008 -30.8008 -30.8008 -14.8475 -14.8475 -14.8475 -14.8475 -12.0634 -12.0634 -12.0634 -12.0634 -11.7569 -11.7569 -11.7569 -11.7569 -11.4029 -11.4029 -11.4029 -11.4029 -0.8001 -0.8001 -0.8001 -0.8001 2.8537 2.8537 2.8537 2.8537 3.9370 3.9370 3.9370 3.9370 4.6679 4.6679 4.6679 4.6679 5.0049 5.0049 5.0049 5.0049 6.6521 6.6521 6.6521 6.6521 7.5829 7.5829 7.5829 7.5829 8.1131 8.1131 8.1131 8.1131 8.3701 8.3701 8.3701 8.3701 9.4523 9.4523 9.4523 9.4523 9.8712 9.8712 9.8712 9.8712 11.1597 11.1597 11.1597 11.1597 14.3258 14.3258 14.3258 14.3258 k = 0.5000 0.5000 0.2298 ( 4904 PWs) bands (ev): -30.8008 -30.8008 -30.8008 -30.8008 -14.8475 -14.8475 -14.8475 -14.8475 -12.0634 -12.0634 -12.0634 -12.0634 -11.7569 -11.7569 -11.7569 -11.7569 -11.4029 -11.4029 -11.4029 -11.4029 -0.8001 -0.8001 -0.8001 -0.8001 2.8537 2.8537 2.8537 2.8537 3.9370 3.9370 3.9370 3.9370 4.6679 4.6679 4.6679 4.6679 5.0049 5.0049 5.0049 5.0049 6.6521 6.6521 6.6521 6.6521 7.5829 7.5829 7.5829 7.5829 8.1131 8.1131 8.1131 8.1131 8.3701 8.3701 8.3701 8.3701 9.4523 9.4523 9.4523 9.4523 9.8712 9.8712 9.8712 9.8712 11.1597 11.1597 11.1597 11.1597 14.3258 14.3258 14.3258 14.3258 k = 0.4915 0.4915 0.2298 ( 4912 PWs) bands (ev): -30.8008 -30.8008 -30.8008 -30.8008 -14.8478 -14.8478 -14.8470 -14.8470 -12.0664 -12.0664 -12.0605 -12.0605 -11.7572 -11.7572 -11.7567 -11.7567 -11.4054 -11.4054 -11.4005 -11.4005 -0.8014 -0.8014 -0.8003 -0.8003 2.8535 2.8535 2.8548 2.8548 3.9364 3.9364 3.9369 3.9369 4.6688 4.6688 4.6697 4.6697 5.0034 5.0034 5.0050 5.0050 6.6503 6.6503 6.6532 6.6532 7.5796 7.5796 7.5822 7.5822 8.1130 8.1130 8.1139 8.1139 8.3709 8.3709 8.3732 8.3732 9.4518 9.4518 9.4559 9.4559 9.8705 9.8705 9.8725 9.8725 11.1593 11.1593 11.1607 11.1607 14.3248 14.3248 14.3259 14.3259 k = 0.4831 0.4831 0.2298 ( 4904 PWs) bands (ev): -30.8009 -30.8009 -30.8008 -30.8008 -14.8483 -14.8483 -14.8458 -14.8458 -12.0692 -12.0692 -12.0575 -12.0575 -11.7575 -11.7575 -11.7564 -11.7564 -11.4081 -11.4081 -11.3982 -11.3982 -0.8055 -0.8055 -0.8008 -0.8008 2.8529 2.8529 2.8584 2.8584 3.9350 3.9350 3.9365 3.9365 4.6724 4.6724 4.6741 4.6741 4.9989 4.9989 5.0052 5.0052 6.6476 6.6476 6.6541 6.6541 7.5710 7.5710 7.5791 7.5791 8.1130 8.1130 8.1163 8.1163 8.3738 8.3738 8.3820 8.3820 9.4520 9.4520 9.4650 9.4650 9.8698 9.8698 9.8754 9.8754 11.1592 11.1592 11.1627 11.1627 14.3226 14.3226 14.3251 14.3251 k = 0.4746 0.4746 0.2298 ( 4896 PWs) bands (ev): -30.8010 -30.8010 -30.8008 -30.8008 -14.8491 -14.8491 -14.8438 -14.8438 -12.0720 -12.0720 -12.0544 -12.0544 -11.7578 -11.7578 -11.7560 -11.7560 -11.4109 -11.4109 -11.3960 -11.3960 -0.8122 -0.8122 -0.8018 -0.8018 2.8519 2.8519 2.8643 2.8643 3.9326 3.9326 3.9359 3.9359 4.6785 4.6785 4.6813 4.6813 4.9913 4.9913 5.0055 5.0055 6.6435 6.6435 6.6549 6.6549 7.5571 7.5571 7.5739 7.5739 8.1135 8.1135 8.1201 8.1201 8.3787 8.3787 8.3960 8.3960 9.4524 9.4524 9.4801 9.4801 9.8688 9.8688 9.8800 9.8800 11.1592 11.1592 11.1660 11.1660 14.3192 14.3192 14.3234 14.3234 k = 0.4661 0.4661 0.2298 ( 4892 PWs) bands (ev): -30.8011 -30.8011 -30.8009 -30.8009 -14.8502 -14.8502 -14.8411 -14.8411 -12.0747 -12.0747 -12.0514 -12.0514 -11.7581 -11.7581 -11.7556 -11.7556 -11.4139 -11.4139 -11.3938 -11.3938 -0.8215 -0.8215 -0.8032 -0.8032 2.8507 2.8507 2.8726 2.8726 3.9293 3.9293 3.9350 3.9350 4.6872 4.6872 4.6910 4.6910 4.9808 4.9808 5.0059 5.0059 6.6380 6.6380 6.6559 6.6559 7.5381 7.5381 7.5668 7.5668 8.1146 8.1146 8.1256 8.1256 8.3855 8.3855 8.4146 8.4146 9.4529 9.4529 9.5009 9.5009 9.8674 9.8674 9.8864 9.8864 11.1593 11.1593 11.1704 11.1704 14.3147 14.3147 14.3207 14.3207 k = 0.4576 0.4576 0.2298 ( 4890 PWs) bands (ev): -30.8014 -30.8014 -30.8009 -30.8009 -14.8516 -14.8516 -14.8376 -14.8376 -12.0774 -12.0774 -12.0483 -12.0483 -11.7585 -11.7585 -11.7550 -11.7550 -11.4172 -11.4172 -11.3917 -11.3917 -0.8334 -0.8334 -0.8049 -0.8049 2.8493 2.8493 2.8832 2.8832 3.9251 3.9251 3.9338 3.9338 4.6984 4.6984 4.7032 4.7032 4.9674 4.9674 5.0066 5.0066 6.6311 6.6311 6.6570 6.6570 7.5146 7.5146 7.5580 7.5580 8.1166 8.1166 8.1327 8.1327 8.3941 8.3941 8.4369 8.4369 9.4538 9.4538 9.5272 9.5272 9.8656 9.8656 9.8945 9.8945 11.1594 11.1594 11.1762 11.1762 14.3092 14.3092 14.3166 14.3166 k = 0.4492 0.4492 0.2298 ( 4890 PWs) bands (ev): -30.8016 -30.8016 -30.8010 -30.8010 -14.8533 -14.8533 -14.8334 -14.8334 -12.0800 -12.0800 -12.0452 -12.0452 -11.7590 -11.7590 -11.7544 -11.7544 -11.4207 -11.4207 -11.3896 -11.3896 -0.8479 -0.8479 -0.8070 -0.8070 2.8479 2.8479 2.8961 2.8961 3.9198 3.9198 3.9323 3.9323 4.7119 4.7119 4.7178 4.7178 4.9512 4.9512 5.0075 5.0075 6.6227 6.6227 6.6583 6.6583 7.4870 7.4870 7.5478 7.5478 8.1197 8.1197 8.1416 8.1416 8.4047 8.4047 8.4623 8.4623 9.4548 9.4548 9.5586 9.5586 9.8635 9.8635 9.9044 9.9044 11.1594 11.1594 11.1833 11.1833 14.3028 14.3028 14.3110 14.3110 k = 0.4407 0.4407 0.2298 ( 4896 PWs) bands (ev): -30.8019 -30.8019 -30.8010 -30.8010 -14.8553 -14.8553 -14.8284 -14.8284 -12.0825 -12.0825 -12.0421 -12.0421 -11.7595 -11.7595 -11.7537 -11.7537 -11.4244 -11.4244 -11.3876 -11.3876 -0.8649 -0.8649 -0.8096 -0.8096 2.8465 2.8465 2.9113 2.9113 3.9137 3.9137 3.9306 3.9306 4.7277 4.7277 4.7346 4.7346 4.9321 4.9321 5.0088 5.0088 6.6129 6.6129 6.6597 6.6597 7.4560 7.4560 7.5364 7.5364 8.1238 8.1238 8.1520 8.1520 8.4171 8.4171 8.4903 8.4903 9.4562 9.4562 9.5949 9.5949 9.8610 9.8610 9.9161 9.9161 11.1596 11.1596 11.1915 11.1915 14.2954 14.2954 14.3035 14.3035 k = 0.4322 0.4322 0.2298 ( 4892 PWs) bands (ev): -30.8023 -30.8023 -30.8011 -30.8011 -14.8576 -14.8576 -14.8226 -14.8226 -12.0849 -12.0849 -12.0389 -12.0389 -11.7601 -11.7601 -11.7529 -11.7529 -11.4284 -11.4284 -11.3855 -11.3855 -0.8844 -0.8844 -0.8125 -0.8125 2.8453 2.8453 2.9288 2.9288 3.9065 3.9065 3.9287 3.9287 4.7456 4.7456 4.7536 4.7536 4.9105 4.9105 5.0105 5.0105 6.6016 6.6016 6.6613 6.6613 7.4221 7.4221 7.5241 7.5241 8.1288 8.1288 8.1643 8.1643 8.4313 8.4313 8.5204 8.5204 9.4580 9.4580 9.6358 9.6358 9.8581 9.8581 9.9294 9.9294 11.1597 11.1597 11.2012 11.2012 14.2865 14.2865 14.2947 14.2947 k = 0.4237 0.4237 0.2298 ( 4884 PWs) bands (ev): -30.8027 -30.8027 -30.8012 -30.8012 -14.8602 -14.8602 -14.8161 -14.8161 -12.0873 -12.0873 -12.0358 -12.0358 -11.7607 -11.7607 -11.7519 -11.7519 -11.4327 -11.4327 -11.3834 -11.3834 -0.9063 -0.9063 -0.8158 -0.8158 2.8445 2.8445 2.9485 2.9485 3.8985 3.8985 3.9265 3.9265 4.7653 4.7653 4.7744 4.7744 4.8863 4.8863 5.0130 5.0130 6.5888 6.5888 6.6630 6.6630 7.3857 7.3857 7.5112 7.5112 8.1344 8.1344 8.1783 8.1783 8.4474 8.4474 8.5523 8.5523 9.4601 9.4601 9.6809 9.6809 9.8550 9.8550 9.9444 9.9444 11.1598 11.1598 11.2122 11.2122 14.2748 14.2748 14.2859 14.2859 k = 0.4153 0.4153 0.2298 ( 4880 PWs) bands (ev): -30.8031 -30.8031 -30.8013 -30.8013 -14.8630 -14.8630 -14.8089 -14.8089 -12.0895 -12.0895 -12.0327 -12.0327 -11.7613 -11.7613 -11.7509 -11.7509 -11.4373 -11.4373 -11.3814 -11.3814 -0.9305 -0.9305 -0.8195 -0.8195 2.8441 2.8441 2.9704 2.9704 3.8895 3.8895 3.9240 3.9240 4.7865 4.7865 4.7968 4.7968 4.8597 4.8597 5.0165 5.0165 6.5747 6.5747 6.6648 6.6648 7.3473 7.3473 7.4979 7.4979 8.1405 8.1405 8.1941 8.1941 8.4652 8.4652 8.5857 8.5857 9.4628 9.4628 9.7298 9.7298 9.8515 9.8515 9.9611 9.9611 11.1599 11.1599 11.2245 11.2245 14.2592 14.2592 14.2778 14.2778 k = 0.4068 0.4068 0.2298 ( 4872 PWs) bands (ev): -30.8036 -30.8036 -30.8014 -30.8014 -14.8661 -14.8661 -14.8010 -14.8010 -12.0916 -12.0916 -12.0296 -12.0296 -11.7619 -11.7619 -11.7498 -11.7498 -11.4421 -11.4421 -11.3793 -11.3793 -0.9569 -0.9569 -0.8236 -0.8236 2.8443 2.8443 2.9945 2.9945 3.8796 3.8796 3.9213 3.9213 4.8088 4.8088 4.8192 4.8192 4.8322 4.8322 5.0214 5.0214 6.5592 6.5592 6.6666 6.6666 7.3074 7.3074 7.4846 7.4846 8.1467 8.1467 8.2116 8.2116 8.4848 8.4848 8.6204 8.6204 9.4660 9.4660 9.7822 9.7822 9.8477 9.8477 9.9793 9.9793 11.1600 11.1600 11.2382 11.2382 14.2399 14.2399 14.2704 14.2704 k = 0.3983 0.3983 0.2298 ( 4870 PWs) bands (ev): -30.8041 -30.8041 -30.8016 -30.8016 -14.8695 -14.8695 -14.7923 -14.7923 -12.0937 -12.0937 -12.0265 -12.0265 -11.7626 -11.7626 -11.7487 -11.7487 -11.4473 -11.4473 -11.3773 -11.3773 -0.9854 -0.9854 -0.8282 -0.8282 2.8452 2.8452 3.0207 3.0207 3.8688 3.8688 3.9184 3.9184 4.7982 4.7982 4.8327 4.8327 4.8460 4.8460 5.0285 5.0285 6.5424 6.5424 6.6684 6.6684 7.2662 7.2662 7.4715 7.4715 8.1526 8.1526 8.2308 8.2308 8.5060 8.5060 8.6564 8.6564 9.4697 9.4697 9.8367 9.8367 9.8448 9.8448 9.9991 9.9991 11.1601 11.1601 11.2531 11.2531 14.2170 14.2170 14.2634 14.2634 k = 0.3898 0.3898 0.2298 ( 4870 PWs) bands (ev): -30.8046 -30.8046 -30.8017 -30.8017 -14.8731 -14.8731 -14.7830 -14.7830 -12.0956 -12.0956 -12.0235 -12.0235 -11.7632 -11.7632 -11.7474 -11.7474 -11.4528 -11.4528 -11.3752 -11.3752 -1.0159 -1.0159 -0.8331 -0.8331 2.8468 2.8468 3.0490 3.0490 3.8572 3.8572 3.9153 3.9153 4.7652 4.7652 4.8559 4.8559 4.8708 4.8708 5.0389 5.0389 6.5244 6.5244 6.6702 6.6702 7.2242 7.2242 7.4589 7.4589 8.1581 8.1581 8.2517 8.2517 8.5289 8.5289 8.6934 8.6934 9.4741 9.4741 9.8390 9.8390 9.8966 9.8966 10.0205 10.0205 11.1601 11.1601 11.2693 11.2693 14.1905 14.1905 14.2570 14.2570 k = 0.3814 0.3814 0.2298 ( 4872 PWs) bands (ev): -30.8052 -30.8052 -30.8018 -30.8018 -14.8769 -14.8769 -14.7730 -14.7730 -12.0974 -12.0974 -12.0205 -12.0205 -11.7638 -11.7638 -11.7461 -11.7461 -11.4586 -11.4586 -11.3732 -11.3732 -1.0483 -1.0483 -0.8384 -0.8384 2.8493 2.8493 3.0793 3.0793 3.8447 3.8447 3.9120 3.9120 4.7299 4.7299 4.8778 4.8778 4.8960 4.8960 5.0538 5.0538 6.5053 6.5053 6.6720 6.6720 7.1816 7.1816 7.4468 7.4468 8.1629 8.1629 8.2742 8.2742 8.5533 8.5533 8.7315 8.7315 9.4791 9.4791 9.8345 9.8345 9.9573 9.9573 10.0437 10.0437 11.1601 11.1601 11.2869 11.2869 14.1600 14.1600 14.2511 14.2511 k = 0.3729 0.3729 0.2298 ( 4868 PWs) bands (ev): -30.8058 -30.8058 -30.8020 -30.8020 -14.8809 -14.8809 -14.7624 -14.7624 -12.0991 -12.0991 -12.0176 -12.0176 -11.7643 -11.7643 -11.7447 -11.7447 -11.4647 -11.4647 -11.3712 -11.3712 -1.0825 -1.0825 -0.8442 -0.8442 2.8526 2.8526 3.1116 3.1116 3.8313 3.8313 3.9085 3.9085 4.6928 4.6928 4.8967 4.8967 4.9218 4.9218 5.0745 5.0745 6.4850 6.4850 6.6737 6.6737 7.1387 7.1387 7.4356 7.4356 8.1668 8.1668 8.2983 8.2983 8.5793 8.5793 8.7704 8.7704 9.4850 9.4850 9.8298 9.8298 10.0194 10.0194 10.0694 10.0694 11.1600 11.1600 11.3057 11.3057 14.1254 14.1254 14.2458 14.2458 k = 0.3644 0.3644 0.2298 ( 4864 PWs) bands (ev): -30.8065 -30.8065 -30.8021 -30.8021 -14.8852 -14.8852 -14.7511 -14.7511 -12.1007 -12.1007 -12.0147 -12.0147 -11.7648 -11.7648 -11.7433 -11.7433 -11.4711 -11.4711 -11.3692 -11.3692 -1.1184 -1.1184 -0.8503 -0.8503 2.8568 2.8568 3.1458 3.1458 3.8172 3.8172 3.9048 3.9048 4.6540 4.6540 4.9113 4.9113 4.9485 4.9485 5.1016 5.1016 6.4638 6.4638 6.6753 6.6753 7.0957 7.0957 7.4254 7.4254 8.1696 8.1696 8.3240 8.3240 8.6067 8.6067 8.8101 8.8101 9.4916 9.4916 9.8249 9.8249 10.0769 10.0769 10.1032 10.1032 11.1598 11.1598 11.3256 11.3256 14.0864 14.0864 14.2413 14.2413 k = 0.3559 0.3559 0.2298 ( 4864 PWs) bands (ev): -30.8072 -30.8072 -30.8023 -30.8023 -14.8896 -14.8896 -14.7393 -14.7393 -12.1022 -12.1022 -12.0119 -12.0119 -11.7653 -11.7653 -11.7418 -11.7418 -11.4778 -11.4778 -11.3673 -11.3673 -1.1557 -1.1557 -0.8568 -0.8568 2.8620 2.8620 3.1819 3.1819 3.8023 3.8023 3.9010 3.9010 4.6137 4.6137 4.9217 4.9217 4.9760 4.9760 5.1349 5.1349 6.4417 6.4417 6.6767 6.6767 7.0529 7.0529 7.4161 7.4161 8.1711 8.1711 8.3513 8.3513 8.6355 8.6355 8.8505 8.8505 9.4991 9.4991 9.8198 9.8198 10.1138 10.1138 10.1607 10.1607 11.1596 11.1596 11.3468 11.3468 14.0429 14.0429 14.2375 14.2375 k = 0.3475 0.3475 0.2298 ( 4860 PWs) bands (ev): -30.8079 -30.8079 -30.8025 -30.8025 -14.8943 -14.8943 -14.7268 -14.7268 -12.1035 -12.1035 -12.0092 -12.0092 -11.7656 -11.7656 -11.7402 -11.7402 -11.4848 -11.4848 -11.3654 -11.3654 -1.1945 -1.1945 -0.8637 -0.8637 2.8680 2.8680 3.2196 3.2196 3.7866 3.7866 3.8970 3.8970 4.5720 4.5720 4.9288 4.9288 5.0043 5.0043 5.1737 5.1737 6.4188 6.4188 6.6780 6.6780 7.0105 7.0105 7.4081 7.4081 8.1712 8.1712 8.3800 8.3800 8.6656 8.6656 8.8914 8.8914 9.5074 9.5074 9.8147 9.8147 10.1439 10.1439 10.2281 10.2281 11.1592 11.1592 11.3690 11.3690 13.9947 13.9947 14.2346 14.2346 k = 0.3390 0.3390 0.2298 ( 4862 PWs) bands (ev): -30.8087 -30.8087 -30.8027 -30.8027 -14.8991 -14.8991 -14.7138 -14.7138 -12.1047 -12.1047 -12.0066 -12.0066 -11.7659 -11.7659 -11.7386 -11.7386 -11.4920 -11.4920 -11.3636 -11.3636 -1.2344 -1.2344 -0.8710 -0.8710 2.8749 2.8749 3.2591 3.2591 3.7702 3.7702 3.8930 3.8930 4.5291 4.5291 4.9333 4.9333 5.0330 5.0330 5.2172 5.2172 6.3953 6.3953 6.6790 6.6790 6.9686 6.9686 7.4011 7.4011 8.1699 8.1699 8.4101 8.4101 8.6969 8.6969 8.9326 8.9326 9.5167 9.5167 9.8096 9.8096 10.1740 10.1740 10.2978 10.2978 11.1587 11.1587 11.3923 11.3923 13.9421 13.9421 14.2324 14.2324 k = 0.3305 0.3305 0.2298 ( 4862 PWs) bands (ev): -30.8094 -30.8094 -30.8029 -30.8029 -14.9040 -14.9040 -14.7002 -14.7002 -12.1058 -12.1058 -12.0040 -12.0040 -11.7660 -11.7660 -11.7370 -11.7370 -11.4996 -11.4996 -11.3619 -11.3619 -1.2755 -1.2755 -0.8786 -0.8786 2.8826 2.8826 3.3002 3.3002 3.7532 3.7532 3.8888 3.8888 4.4851 4.4851 4.9361 4.9361 5.0621 5.0621 5.2646 5.2646 6.3712 6.3712 6.6798 6.6798 6.9275 6.9275 7.3955 7.3955 8.1670 8.1670 8.4416 8.4416 8.7293 8.7293 8.9740 8.9740 9.5269 9.5269 9.8045 9.8045 10.2051 10.2051 10.3689 10.3689 11.1581 11.1581 11.4167 11.4167 13.8856 13.8856 14.2312 14.2312 k = 0.3220 0.3220 0.2298 ( 4858 PWs) bands (ev): -30.8102 -30.8102 -30.8030 -30.8030 -14.9091 -14.9091 -14.6861 -14.6861 -12.1067 -12.1067 -12.0016 -12.0016 -11.7660 -11.7660 -11.7353 -11.7353 -11.5073 -11.5073 -11.3602 -11.3602 -1.3174 -1.3174 -0.8866 -0.8866 2.8910 2.8910 3.3428 3.3428 3.7354 3.7354 3.8846 3.8846 4.4401 4.4401 4.9375 4.9375 5.0914 5.0914 5.3153 5.3153 6.3467 6.3467 6.6804 6.6804 6.8873 6.8873 7.3910 7.3910 8.1627 8.1627 8.4745 8.4745 8.7628 8.7628 9.0155 9.0155 9.5380 9.5380 9.7995 9.7995 10.2373 10.2373 10.4408 10.4408 11.1574 11.1574 11.4421 11.4421 13.8258 13.8258 14.2308 14.2308 k = 0.3136 0.3136 0.2298 ( 4856 PWs) bands (ev): -30.8111 -30.8111 -30.8032 -30.8032 -14.9143 -14.9143 -14.6716 -14.6716 -12.1075 -12.1075 -11.9993 -11.9993 -11.7659 -11.7659 -11.7336 -11.7336 -11.5153 -11.5153 -11.3587 -11.3587 -1.3602 -1.3602 -0.8950 -0.8950 2.9002 2.9002 3.3868 3.3868 3.7170 3.7170 3.8804 3.8804 4.3945 4.3945 4.9380 4.9380 5.1210 5.1210 5.3691 5.3691 6.3219 6.3219 6.6807 6.6807 6.8482 6.8482 7.3878 7.3878 8.1569 8.1569 8.5087 8.5087 8.7971 8.7971 9.0567 9.0567 9.5501 9.5501 9.7947 9.7947 10.2707 10.2707 10.5129 10.5129 11.1565 11.1565 11.4684 11.4684 13.7636 13.7636 14.2313 14.2313 k = 0.3051 0.3051 0.2298 ( 4850 PWs) bands (ev): -30.8119 -30.8119 -30.8034 -30.8034 -14.9196 -14.9196 -14.6566 -14.6566 -12.1081 -12.1081 -11.9972 -11.9972 -11.7656 -11.7656 -11.7319 -11.7319 -11.5236 -11.5236 -11.3572 -11.3572 -1.4036 -1.4036 -0.9036 -0.9036 2.9099 2.9099 3.4321 3.4321 3.6981 3.6981 3.8761 3.8761 4.3481 4.3481 4.9378 4.9378 5.1508 5.1508 5.4257 5.4257 6.2968 6.2968 6.6805 6.6805 6.8103 6.8103 7.3859 7.3859 8.1496 8.1496 8.5442 8.5442 8.8321 8.8321 9.0976 9.0976 9.5632 9.5632 9.7902 9.7902 10.3053 10.3053 10.5849 10.5849 11.1554 11.1554 11.4955 11.4955 13.7001 13.7001 14.2326 14.2326 k = 0.2966 0.2966 0.2298 ( 4854 PWs) bands (ev): -30.8127 -30.8127 -30.8037 -30.8037 -14.9250 -14.9250 -14.6412 -14.6412 -12.1086 -12.1086 -11.9952 -11.9952 -11.7652 -11.7652 -11.7302 -11.7302 -11.5320 -11.5320 -11.3559 -11.3559 -1.4476 -1.4476 -0.9126 -0.9126 2.9202 2.9202 3.4786 3.4786 3.6786 3.6786 3.8717 3.8717 4.3013 4.3013 4.9370 4.9370 5.1808 5.1808 5.4847 5.4847 6.2716 6.2716 6.6799 6.6799 6.7740 6.7740 7.3852 7.3852 8.1409 8.1409 8.5809 8.5809 8.8678 8.8678 9.1379 9.1379 9.5771 9.5771 9.7859 9.7859 10.3411 10.3411 10.6562 10.6562 11.1541 11.1541 11.5235 11.5235 13.6365 13.6365 14.2347 14.2347 k = 0.2881 0.2881 0.2298 ( 4852 PWs) bands (ev): -30.8136 -30.8136 -30.8039 -30.8039 -14.9305 -14.9305 -14.6253 -14.6253 -12.1090 -12.1090 -11.9934 -11.9934 -11.7646 -11.7646 -11.7284 -11.7284 -11.5406 -11.5406 -11.3547 -11.3547 -1.4918 -1.4918 -0.9219 -0.9219 2.9309 2.9309 3.5260 3.5260 3.6588 3.6588 3.8674 3.8674 4.2542 4.2542 4.9358 4.9358 5.2109 5.2109 5.5460 5.5460 6.2464 6.2464 6.6782 6.6782 6.7398 6.7398 7.3856 7.3856 8.1309 8.1309 8.6188 8.6188 8.9039 8.9039 9.1774 9.1774 9.5920 9.5920 9.7822 9.7822 10.3782 10.3782 10.7264 10.7264 11.1527 11.1527 11.5523 11.5523 13.5738 13.5738 14.2375 14.2375 k = 0.2797 0.2797 0.2298 ( 4848 PWs) bands (ev): -30.8145 -30.8145 -30.8041 -30.8041 -14.9360 -14.9360 -14.6092 -14.6092 -12.1093 -12.1093 -11.9917 -11.9917 -11.7639 -11.7639 -11.7267 -11.7267 -11.5493 -11.5493 -11.3536 -11.3536 -1.5363 -1.5363 -0.9314 -0.9314 2.9419 2.9419 3.5735 3.5735 3.6395 3.6395 3.8631 3.8631 4.2069 4.2069 4.9342 4.9342 5.2412 5.2412 5.6094 5.6094 6.2213 6.2213 6.6738 6.6738 6.7095 6.7095 7.3873 7.3873 8.1197 8.1197 8.6579 8.6579 8.9402 8.9402 9.2159 9.2159 9.6078 9.6078 9.7790 9.7790 10.4165 10.4165 10.7947 10.7947 11.1511 11.1511 11.5819 11.5819 13.5132 13.5132 14.2408 14.2409 k = 0.2712 0.2712 0.2298 ( 4846 PWs) bands (ev): -30.8154 -30.8154 -30.8043 -30.8043 -14.9416 -14.9416 -14.5927 -14.5927 -12.1093 -12.1093 -11.9902 -11.9902 -11.7629 -11.7629 -11.7250 -11.7250 -11.5582 -11.5582 -11.3527 -11.3527 -1.5809 -1.5809 -0.9412 -0.9412 2.9531 2.9531 3.6064 3.6064 3.6352 3.6352 3.8588 3.8588 4.1596 4.1596 4.9322 4.9322 5.2716 5.2716 5.6748 5.6748 6.1963 6.1963 6.6595 6.6595 6.6905 6.6905 7.3900 7.3900 8.1073 8.1073 8.6981 8.6981 8.9766 8.9766 9.2533 9.2533 9.6243 9.6243 9.7766 9.7766 10.4560 10.4560 10.8605 10.8605 11.1493 11.1493 11.6123 11.6123 13.4559 13.4559 14.2447 14.2447 k = 0.2627 0.2627 0.2298 ( 4840 PWs) bands (ev): -30.8163 -30.8163 -30.8045 -30.8045 -14.9472 -14.9472 -14.5759 -14.5759 -12.1093 -12.1093 -11.9889 -11.9889 -11.7619 -11.7619 -11.7233 -11.7233 -11.5672 -11.5672 -11.3520 -11.3520 -1.6254 -1.6254 -0.9511 -0.9511 2.9645 2.9645 3.5916 3.5916 3.6789 3.6789 3.8545 3.8545 4.1124 4.1124 4.9300 4.9300 5.3021 5.3021 5.7420 5.7420 6.1717 6.1717 6.6340 6.6340 6.6840 6.6840 7.3939 7.3939 8.0938 8.0938 8.7393 8.7393 9.0128 9.0128 9.2894 9.2894 9.6415 9.6415 9.7751 9.7751 10.4968 10.4968 10.9228 10.9228 11.1474 11.1474 11.6434 11.6434 13.4031 13.4031 14.2489 14.2489 k = 0.2542 0.2542 0.2298 ( 4842 PWs) bands (ev): -30.8172 -30.8172 -30.8047 -30.8047 -14.9528 -14.9528 -14.5589 -14.5589 -12.1091 -12.1091 -11.9879 -11.9879 -11.7606 -11.7606 -11.7216 -11.7216 -11.5762 -11.5762 -11.3514 -11.3514 -1.6698 -1.6698 -0.9613 -0.9613 2.9759 2.9759 3.5705 3.5705 3.7293 3.7293 3.8503 3.8503 4.0654 4.0654 4.9276 4.9276 5.3326 5.3326 5.8106 5.8106 6.1475 6.1475 6.6067 6.6067 6.6809 6.6809 7.3987 7.3987 8.0794 8.0794 8.7816 8.7816 9.0485 9.0485 9.3240 9.3240 9.6593 9.6593 9.7750 9.7750 10.5388 10.5388 10.9805 10.9805 11.1457 11.1457 11.6753 11.6753 13.3558 13.3558 14.2533 14.2533 k = 0.2458 0.2458 0.2298 ( 4838 PWs) bands (ev): -30.8181 -30.8181 -30.8050 -30.8050 -14.9584 -14.9584 -14.5418 -14.5418 -12.1088 -12.1088 -11.9870 -11.9870 -11.7592 -11.7592 -11.7200 -11.7200 -11.5852 -11.5852 -11.3510 -11.3510 -1.7138 -1.7138 -0.9716 -0.9716 2.9873 2.9873 3.5485 3.5485 3.7808 3.7808 3.8460 3.8460 4.0189 4.0189 4.9250 4.9250 5.3632 5.3632 5.8805 5.8805 6.1240 6.1240 6.5803 6.5803 6.6785 6.6785 7.4045 7.4045 8.0642 8.0642 8.8249 8.8249 9.0834 9.0834 9.3572 9.3572 9.6775 9.6775 9.7765 9.7765 10.5820 10.5820 11.0322 11.0322 11.1445 11.1445 11.7079 11.7079 13.3153 13.3153 14.2578 14.2578 k = 0.2373 0.2373 0.2298 ( 4842 PWs) bands (ev): -30.8190 -30.8190 -30.8052 -30.8052 -14.9640 -14.9640 -14.5244 -14.5244 -12.1083 -12.1083 -11.9864 -11.9864 -11.7576 -11.7576 -11.7184 -11.7184 -11.5943 -11.5943 -11.3507 -11.3507 -1.7574 -1.7574 -0.9820 -0.9820 2.9985 2.9985 3.5261 3.5261 3.8328 3.8328 3.8417 3.8417 3.9730 3.9730 4.9223 4.9223 5.3936 5.3936 5.9504 5.9504 6.1022 6.1022 6.5556 6.5556 6.6762 6.6762 7.4112 7.4112 8.0481 8.0481 8.8692 8.8692 9.1172 9.1172 9.3886 9.3886 9.6956 9.6956 9.7801 9.7801 10.6265 10.6265 11.0752 11.0752 11.1456 11.1456 11.7412 11.7412 13.2827 13.2827 14.2621 14.2621 k = 0.2288 0.2288 0.2298 ( 4846 PWs) bands (ev): -30.8199 -30.8199 -30.8054 -30.8054 -14.9695 -14.9695 -14.5070 -14.5070 -12.1078 -12.1078 -11.9860 -11.9860 -11.7559 -11.7559 -11.7168 -11.7168 -11.6032 -11.6032 -11.3507 -11.3507 -1.8005 -1.8005 -0.9925 -0.9925 3.0095 3.0095 3.5033 3.5033 3.8368 3.8368 3.8854 3.8854 3.9283 3.9283 4.9194 4.9194 5.4239 5.4239 6.0151 6.0151 6.0874 6.0874 6.5328 6.5328 6.6738 6.6738 7.4188 7.4188 8.0315 8.0315 8.9144 8.9144 9.1495 9.1495 9.4183 9.4183 9.7134 9.7134 9.7863 9.7863 10.6722 10.6722 11.1033 11.1033 11.1543 11.1543 11.7753 11.7753 13.2591 13.2591 14.2660 14.2660 k = 0.2203 0.2203 0.2298 ( 4854 PWs) bands (ev): -30.8208 -30.8208 -30.8056 -30.8056 -14.9750 -14.9750 -14.4895 -14.4895 -12.1071 -12.1071 -11.9860 -11.9860 -11.7541 -11.7541 -11.7154 -11.7154 -11.6121 -11.6121 -11.3508 -11.3508 -1.8429 -1.8429 -1.0031 -1.0031 3.0202 3.0202 3.4805 3.4805 3.8305 3.8305 3.8855 3.8855 3.9383 3.9383 4.9163 4.9163 5.4540 5.4540 6.0371 6.0371 6.1168 6.1168 6.5121 6.5121 6.6713 6.6713 7.4271 7.4271 8.0143 8.0143 8.9604 8.9604 9.1800 9.1800 9.4462 9.4462 9.7304 9.7304 9.7957 9.7957 10.7192 10.7192 11.1125 11.1125 11.1736 11.1736 11.8102 11.8102 13.2453 13.2453 14.2694 14.2694 k = 0.2119 0.2119 0.2298 ( 4842 PWs) bands (ev): -30.8216 -30.8216 -30.8058 -30.8058 -14.9804 -14.9804 -14.4720 -14.4720 -12.1062 -12.1062 -11.9861 -11.9861 -11.7521 -11.7521 -11.7139 -11.7139 -11.6208 -11.6208 -11.3510 -11.3510 -1.8845 -1.8845 -1.0137 -1.0137 3.0306 3.0306 3.4576 3.4576 3.8170 3.8170 3.8513 3.8513 3.9910 3.9910 4.9132 4.9132 5.4836 5.4836 6.0217 6.0217 6.1849 6.1849 6.4939 6.4939 6.6686 6.6686 7.4362 7.4362 7.9967 7.9967 9.0073 9.0073 9.2083 9.2083 9.4722 9.4722 9.7465 9.7465 9.8087 9.8087 10.7676 10.7676 11.1122 11.1122 11.1936 11.1936 11.8459 11.8459 13.2420 13.2420 14.2719 14.2719 k = 0.2034 0.2034 0.2298 ( 4842 PWs) bands (ev): -30.8225 -30.8225 -30.8061 -30.8061 -14.9858 -14.9858 -14.4545 -14.4545 -12.1053 -12.1053 -11.9865 -11.9865 -11.7499 -11.7499 -11.7126 -11.7126 -11.6293 -11.6293 -11.3514 -11.3514 -1.9253 -1.9253 -1.0243 -1.0243 3.0404 3.0404 3.4349 3.4349 3.7851 3.7851 3.8363 3.8363 4.0436 4.0436 4.9100 4.9100 5.5127 5.5127 6.0015 6.0015 6.2585 6.2585 6.4786 6.4786 6.6658 6.6658 7.4460 7.4460 7.9788 7.9788 9.0549 9.0549 9.2338 9.2338 9.4965 9.4965 9.7620 9.7620 9.8249 9.8249 10.8173 10.8173 11.1086 11.1086 11.2077 11.2077 11.8823 11.8823 13.2494 13.2494 14.2700 14.2701 k = 0.1949 0.1949 0.2298 ( 4842 PWs) bands (ev): -30.8234 -30.8234 -30.8063 -30.8063 -14.9910 -14.9910 -14.4371 -14.4371 -12.1042 -12.1042 -11.9872 -11.9872 -11.7477 -11.7477 -11.7114 -11.7114 -11.6376 -11.6376 -11.3520 -11.3520 -1.9651 -1.9651 -1.0348 -1.0348 3.0498 3.0498 3.4123 3.4123 3.7456 3.7456 3.8302 3.8302 4.0960 4.0960 4.9068 4.9068 5.5410 5.5410 5.9809 5.9809 6.3321 6.3321 6.4674 6.4674 6.6629 6.6629 7.4563 7.4563 7.9606 7.9606 9.1033 9.1033 9.2566 9.2566 9.5189 9.5189 9.7777 9.7777 9.8438 9.8438 10.8683 10.8683 11.1033 11.1033 11.2139 11.2139 11.9194 11.9194 13.2675 13.2675 14.2287 14.2287 k = 0.1864 0.1864 0.2298 ( 4834 PWs) bands (ev): -30.8242 -30.8242 -30.8065 -30.8065 -14.9961 -14.9961 -14.4199 -14.4199 -12.1031 -12.1031 -11.9882 -11.9882 -11.7454 -11.7454 -11.7102 -11.7102 -11.6455 -11.6455 -11.3528 -11.3528 -2.0039 -2.0039 -1.0452 -1.0452 3.0585 3.0585 3.3901 3.3901 3.7053 3.7053 3.8260 3.8260 4.1479 4.1479 4.9035 4.9035 5.5683 5.5683 5.9604 5.9604 6.3977 6.3977 6.4676 6.4676 6.6599 6.6599 7.4672 7.4672 7.9423 7.9423 9.1522 9.1522 9.2762 9.2762 9.5394 9.5394 9.7944 9.7944 9.8646 9.8646 10.9208 10.9208 11.0970 11.0970 11.2121 11.2121 11.9572 11.9572 13.2959 13.2959 14.1752 14.1752 k = 0.1780 0.1780 0.2298 ( 4844 PWs) bands (ev): -30.8250 -30.8250 -30.8067 -30.8067 -15.0012 -15.0012 -14.4028 -14.4028 -12.1018 -12.1018 -11.9895 -11.9895 -11.7432 -11.7432 -11.7093 -11.7093 -11.6530 -11.6530 -11.3537 -11.3537 -2.0415 -2.0415 -1.0555 -1.0555 3.0666 3.0666 3.3684 3.3684 3.6657 3.6657 3.8226 3.8226 4.1993 4.1993 4.9002 4.9002 5.5944 5.5944 5.9403 5.9403 6.4246 6.4246 6.5097 6.5097 6.6568 6.6568 7.4785 7.4785 7.9240 7.9240 9.2016 9.2016 9.2926 9.2926 9.5581 9.5581 9.8124 9.8124 9.8865 9.8865 10.9745 10.9745 11.0896 11.0896 11.2027 11.2027 11.9957 11.9957 13.3335 13.3335 14.1188 14.1188 k = 0.1695 0.1695 0.2298 ( 4838 PWs) bands (ev): -30.8258 -30.8258 -30.8069 -30.8069 -15.0060 -15.0060 -14.3860 -14.3860 -12.1005 -12.1005 -11.9911 -11.9911 -11.7408 -11.7408 -11.7084 -11.7084 -11.6600 -11.6600 -11.3547 -11.3547 -2.0779 -2.0779 -1.0656 -1.0656 3.0739 3.0739 3.3473 3.3473 3.6272 3.6272 3.8195 3.8195 4.2499 4.2499 4.8968 4.8968 5.6192 5.6192 5.9208 5.9208 6.4253 6.4253 6.5807 6.5807 6.6537 6.6537 7.4903 7.4903 7.9058 7.9058 9.2511 9.2511 9.3064 9.3064 9.5750 9.5750 9.8322 9.8322 9.9092 9.9092 11.0296 11.0296 11.0813 11.0813 11.1866 11.1866 12.0349 12.0349 13.3795 13.3795 14.0600 14.0600 k = 0.1610 0.1610 0.2298 ( 4830 PWs) bands (ev): -30.8266 -30.8266 -30.8071 -30.8071 -15.0108 -15.0108 -14.3696 -14.3696 -12.0990 -12.0990 -11.9930 -11.9930 -11.7386 -11.7386 -11.7079 -11.7079 -11.6663 -11.6663 -11.3559 -11.3559 -2.1130 -2.1130 -1.0755 -1.0755 3.0803 3.0803 3.3270 3.3270 3.5899 3.5899 3.8167 3.8167 4.2996 4.2996 4.8936 4.8936 5.6422 5.6422 5.9018 5.9018 6.4238 6.4238 6.6501 6.6501 6.6571 6.6571 7.5023 7.5023 7.8877 7.8877 9.2974 9.2974 9.3207 9.3207 9.5900 9.5900 9.8537 9.8537 9.9325 9.9325 11.0717 11.0717 11.0855 11.0855 11.1652 11.1652 12.0746 12.0746 13.4325 13.4325 13.9986 13.9986 k = 0.1525 0.1525 0.2298 ( 4834 PWs) bands (ev): -30.8273 -30.8273 -30.8073 -30.8073 -15.0153 -15.0153 -14.3535 -14.3535 -12.0975 -12.0975 -11.9951 -11.9951 -11.7365 -11.7365 -11.7076 -11.7076 -11.6720 -11.6720 -11.3572 -11.3572 -2.1467 -2.1467 -1.0852 -1.0852 3.0856 3.0856 3.3079 3.3079 3.5540 3.5540 3.8141 3.8141 4.3482 4.3482 4.8903 4.8903 5.6635 5.6635 5.8835 5.8835 6.4238 6.4238 6.6473 6.6473 6.7336 6.7336 7.5146 7.5146 7.8698 7.8698 9.3182 9.3182 9.3580 9.3580 9.6033 9.6033 9.8766 9.8766 9.9558 9.9558 11.0604 11.0604 11.1292 11.1292 11.1532 11.1532 12.1147 12.1147 13.4910 13.4910 13.9346 13.9346 k = 0.1441 0.1441 0.2298 ( 4830 PWs) bands (ev): -30.8281 -30.8281 -30.8075 -30.8075 -15.0197 -15.0197 -14.3378 -14.3378 -12.0959 -12.0959 -11.9976 -11.9976 -11.7346 -11.7346 -11.7075 -11.7075 -11.6767 -11.6767 -11.3586 -11.3586 -2.1790 -2.1790 -1.0946 -1.0946 3.0897 3.0897 3.2900 3.2900 3.5195 3.5195 3.8118 3.8118 4.3955 4.3955 4.8871 4.8871 5.6827 5.6827 5.8658 5.8658 6.4261 6.4261 6.6442 6.6442 6.8102 6.8102 7.5271 7.5271 7.8522 7.8522 9.3242 9.3242 9.4077 9.4077 9.6149 9.6149 9.9007 9.9007 9.9792 9.9792 11.0464 11.0464 11.1068 11.1068 11.2064 11.2064 12.1552 12.1552 13.5534 13.5534 13.8683 13.8683 k = 0.1356 0.1356 0.2298 ( 4830 PWs) bands (ev): -30.8288 -30.8288 -30.8076 -30.8076 -15.0239 -15.0239 -14.3226 -14.3226 -12.0942 -12.0942 -12.0002 -12.0002 -11.7331 -11.7331 -11.7077 -11.7077 -11.6805 -11.6805 -11.3601 -11.3601 -2.2098 -2.2098 -1.1036 -1.1036 3.0925 3.0925 3.2737 3.2737 3.4867 3.4867 3.8096 3.8096 4.4414 4.4414 4.8840 4.8840 5.6999 5.6999 5.8488 5.8488 6.4307 6.4307 6.6411 6.6411 6.8861 6.8861 7.5396 7.5396 7.8350 7.8350 9.3267 9.3267 9.4586 9.4586 9.6251 9.6251 9.9255 9.9255 10.0023 10.0023 11.0269 11.0269 11.0797 11.0797 11.2670 11.2670 12.1959 12.1959 13.6183 13.6183 13.7996 13.7996 k = 0.1271 0.1271 0.2298 ( 4826 PWs) bands (ev): -30.8294 -30.8294 -30.8078 -30.8078 -15.0279 -15.0279 -14.3079 -14.3079 -12.0925 -12.0925 -12.0031 -12.0031 -11.7323 -11.7323 -11.7080 -11.7080 -11.6832 -11.6832 -11.3617 -11.3617 -2.2390 -2.2390 -1.1123 -1.1123 3.0937 3.0937 3.2592 3.2592 3.4555 3.4555 3.8077 3.8077 4.4858 4.4858 4.8810 4.8810 5.7149 5.7149 5.8326 5.8326 6.4376 6.4376 6.6382 6.6382 6.9609 6.9609 7.5522 7.5522 7.8183 7.8183 9.3270 9.3270 9.5096 9.5096 9.6343 9.6343 9.9507 9.9507 10.0251 10.0251 10.9988 10.9988 11.0574 11.0574 11.3296 11.3296 12.2367 12.2367 13.6837 13.6837 13.7289 13.7289 k = 0.1186 0.1186 0.2298 ( 4818 PWs) bands (ev): -30.8301 -30.8301 -30.8080 -30.8080 -15.0317 -15.0317 -14.2939 -14.2939 -12.0907 -12.0907 -12.0062 -12.0062 -11.7322 -11.7322 -11.7080 -11.7080 -11.6851 -11.6851 -11.3633 -11.3633 -2.2665 -2.2665 -1.1206 -1.1206 3.0932 3.0932 3.2469 3.2469 3.4260 3.4260 3.8058 3.8058 4.5284 4.5284 4.8782 4.8782 5.7278 5.7278 5.8170 5.8170 6.4467 6.4467 6.6355 6.6355 7.0340 7.0340 7.5648 7.5648 7.8022 7.8022 9.3255 9.3255 9.5594 9.5594 9.6433 9.6433 9.9759 9.9759 10.0476 10.0476 10.9628 10.9628 11.0402 11.0402 11.3937 11.3937 12.2774 12.2774 13.6550 13.6550 13.7496 13.7496 k = 0.1102 0.1102 0.2298 ( 4818 PWs) bands (ev): -30.8307 -30.8307 -30.8081 -30.8081 -15.0353 -15.0353 -14.2805 -14.2805 -12.0889 -12.0889 -12.0095 -12.0095 -11.7330 -11.7330 -11.7076 -11.7076 -11.6862 -11.6862 -11.3650 -11.3650 -2.2924 -2.2924 -1.1285 -1.1285 3.0909 3.0909 3.2368 3.2368 3.3984 3.3984 3.8042 3.8042 4.5690 4.5690 4.8754 4.8754 5.7387 5.7387 5.8023 5.8023 6.4575 6.4575 6.6329 6.6329 7.1051 7.1051 7.5772 7.5772 7.7867 7.7867 9.3225 9.3225 9.6046 9.6046 9.6559 9.6559 10.0005 10.0005 10.0694 10.0694 10.9220 10.9220 11.0256 11.0256 11.4593 11.4593 12.3177 12.3177 13.5800 13.5800 13.8123 13.8123 k = 0.1017 0.1017 0.2298 ( 4814 PWs) bands (ev): -30.8312 -30.8312 -30.8082 -30.8082 -15.0386 -15.0386 -14.2678 -14.2678 -12.0871 -12.0871 -12.0129 -12.0129 -11.7345 -11.7345 -11.7067 -11.7067 -11.6867 -11.6867 -11.3666 -11.3666 -2.3166 -2.3166 -1.1360 -1.1360 3.0868 3.0868 3.2289 3.2289 3.3726 3.3726 3.8027 3.8027 4.6076 4.6076 4.8729 4.8729 5.7475 5.7475 5.7884 5.7884 6.4697 6.4697 6.6306 6.6306 7.1736 7.1736 7.5895 7.5895 7.7719 7.7719 9.3182 9.3182 9.6324 9.6324 9.6846 9.6846 10.0243 10.0243 10.0906 10.0906 10.8785 10.8785 11.0121 11.0121 11.5265 11.5265 12.3575 12.3575 13.5032 13.5032 13.8713 13.8713 k = 0.0932 0.0932 0.2298 ( 4834 PWs) bands (ev): -30.8317 -30.8317 -30.8084 -30.8084 -15.0418 -15.0418 -14.2560 -14.2560 -12.0852 -12.0852 -12.0165 -12.0165 -11.7366 -11.7366 -11.7055 -11.7055 -11.6870 -11.6870 -11.3683 -11.3683 -2.3390 -2.3390 -1.1430 -1.1430 3.0812 3.0812 3.2232 3.2232 3.3487 3.3487 3.8013 3.8013 4.6438 4.6438 4.8706 4.8706 5.7545 5.7545 5.7755 5.7755 6.4828 6.4828 6.6287 6.6287 7.2391 7.2391 7.6015 7.6015 7.7580 7.7580 9.3130 9.3130 9.6426 9.6426 9.7297 9.7297 10.0469 10.0469 10.1111 10.1111 10.8334 10.8334 10.9990 10.9990 11.5950 11.5950 12.3963 12.3963 13.4249 13.4249 13.9247 13.9258 k = 0.0847 0.0847 0.2298 ( 4838 PWs) bands (ev): -30.8322 -30.8322 -30.8085 -30.8085 -15.0446 -15.0446 -14.2449 -14.2449 -12.0832 -12.0832 -12.0201 -12.0201 -11.7389 -11.7389 -11.7040 -11.7040 -11.6869 -11.6869 -11.3699 -11.3699 -2.3595 -2.3595 -1.1494 -1.1494 3.0745 3.0745 3.2191 3.2191 3.3268 3.3268 3.8001 3.8001 4.6775 4.6775 4.8686 4.8686 5.7579 5.7579 5.7655 5.7655 6.4964 6.4964 6.6272 6.6272 7.3010 7.3010 7.6134 7.6134 7.7449 7.7449 9.3070 9.3070 9.6474 9.6474 9.7793 9.7793 10.0680 10.0680 10.1307 10.1307 10.7875 10.7875 10.9863 10.9863 11.6648 11.6648 12.4341 12.4341 13.3453 13.3453 13.9241 13.9241 k = 0.0763 0.0763 0.2298 ( 4830 PWs) bands (ev): -30.8327 -30.8327 -30.8086 -30.8086 -15.0473 -15.0473 -14.2347 -14.2347 -12.0813 -12.0813 -12.0237 -12.0237 -11.7412 -11.7412 -11.7023 -11.7023 -11.6868 -11.6868 -11.3715 -11.3715 -2.3783 -2.3783 -1.1553 -1.1553 3.0672 3.0672 3.2164 3.2164 3.3070 3.3070 3.7990 3.7990 4.7085 4.7085 4.8668 4.8668 5.7501 5.7501 5.7664 5.7664 6.5099 6.5099 6.6262 6.6262 7.3587 7.3587 7.6251 7.6251 7.7329 7.7329 9.3005 9.3005 9.6501 9.6501 9.8298 9.8298 10.0875 10.0875 10.1493 10.1493 10.7410 10.7410 10.9741 10.9741 11.7358 11.7358 12.4703 12.4703 13.2649 13.2649 13.8820 13.8820 k = 0.0678 0.0678 0.2298 ( 4846 PWs) bands (ev): -30.8331 -30.8331 -30.8087 -30.8087 -15.0496 -15.0496 -14.2255 -14.2255 -12.0793 -12.0793 -12.0274 -12.0274 -11.7434 -11.7434 -11.7007 -11.7007 -11.6866 -11.6866 -11.3729 -11.3729 -2.3951 -2.3951 -1.1607 -1.1607 3.0597 3.0597 3.2146 3.2146 3.2893 3.2893 3.7980 3.7980 4.7366 4.7366 4.8655 4.8655 5.7400 5.7400 5.7694 5.7694 6.5228 6.5228 6.6257 6.6257 7.4113 7.4113 7.6367 7.6367 7.7221 7.7221 9.2937 9.2937 9.6518 9.6518 9.8803 9.8803 10.1051 10.1051 10.1667 10.1667 10.6943 10.6943 10.9623 10.9623 11.8079 11.8079 12.5045 12.5045 13.1839 13.1839 13.8428 13.8428 k = 0.0593 0.0593 0.2298 ( 4842 PWs) bands (ev): -30.8334 -30.8334 -30.8088 -30.8088 -15.0517 -15.0517 -14.2172 -14.2172 -12.0773 -12.0773 -12.0309 -12.0309 -11.7454 -11.7454 -11.6991 -11.6991 -11.6863 -11.6863 -11.3743 -11.3743 -2.4100 -2.4100 -1.1655 -1.1655 3.0524 3.0524 3.2134 3.2134 3.2739 3.2739 3.7972 3.7972 4.7615 4.7615 4.8646 4.8646 5.7307 5.7307 5.7718 5.7718 6.5346 6.5346 6.6261 6.6261 7.4582 7.4582 7.6480 7.6480 7.7128 7.7128 9.2869 9.2869 9.6528 9.6528 9.9303 9.9303 10.1208 10.1208 10.1830 10.1830 10.6476 10.6476 10.9512 10.9512 11.8807 11.8807 12.5363 12.5363 13.1029 13.1029 13.8073 13.8073 k = 0.0508 0.0508 0.2298 ( 4842 PWs) bands (ev): -30.8337 -30.8337 -30.8089 -30.8089 -15.0536 -15.0536 -14.2099 -14.2099 -12.0752 -12.0752 -12.0344 -12.0344 -11.7473 -11.7473 -11.6977 -11.6977 -11.6859 -11.6859 -11.3755 -11.3755 -2.4230 -2.4230 -1.1697 -1.1697 3.0455 3.0455 3.2123 3.2123 3.2608 3.2608 3.7965 3.7965 4.7829 4.7829 4.8644 4.8644 5.7224 5.7224 5.7735 5.7735 6.5448 6.5448 6.6272 6.6272 7.4985 7.4985 7.6589 7.6589 7.7055 7.7055 9.2802 9.2802 9.6534 9.6534 9.9795 9.9795 10.1344 10.1344 10.1978 10.1978 10.6011 10.6011 10.9409 10.9409 11.9540 11.9540 12.5651 12.5651 13.0224 13.0224 13.7757 13.7757 k = 0.0424 0.0424 0.2298 ( 4842 PWs) bands (ev): -30.8340 -30.8340 -30.8089 -30.8089 -15.0551 -15.0551 -14.2037 -14.2037 -12.0732 -12.0732 -12.0376 -12.0376 -11.7488 -11.7488 -11.6965 -11.6965 -11.6856 -11.6856 -11.3766 -11.3766 -2.4341 -2.4341 -1.1732 -1.1732 3.0394 3.0394 3.2112 3.2112 3.2502 3.2502 3.7959 3.7959 4.8004 4.8004 4.8650 4.8650 5.7152 5.7152 5.7748 5.7748 6.5532 6.5532 6.6290 6.6290 7.5315 7.5315 7.6680 7.6680 7.7017 7.7017 9.2740 9.2740 9.6536 9.6536 10.0275 10.0275 10.1460 10.1460 10.2112 10.2112 10.5550 10.5550 10.9318 10.9318 12.0271 12.0271 12.5903 12.5903 12.9433 12.9433 13.7486 13.7486 k = 0.0339 0.0339 0.2298 ( 4848 PWs) bands (ev): -30.8342 -30.8342 -30.8090 -30.8090 -15.0564 -15.0564 -14.1986 -14.1986 -12.0713 -12.0713 -12.0406 -12.0406 -11.7501 -11.7501 -11.6955 -11.6955 -11.6854 -11.6854 -11.3775 -11.3775 -2.4431 -2.4431 -1.1762 -1.1762 3.0342 3.0342 3.2097 3.2097 3.2422 3.2422 3.7954 3.7954 4.8139 4.8139 4.8667 4.8667 5.7092 5.7092 5.7756 5.7756 6.5596 6.5596 6.6313 6.6313 7.5571 7.5571 7.6726 7.6726 7.7036 7.7036 9.2685 9.2685 9.6536 9.6536 10.0734 10.0734 10.1557 10.1557 10.2232 10.2232 10.5098 10.5098 10.9239 10.9239 12.0990 12.0990 12.6111 12.6111 12.8670 12.8670 13.7259 13.7259 k = 0.0254 0.0254 0.2298 ( 4860 PWs) bands (ev): -30.8344 -30.8344 -30.8090 -30.8090 -15.0574 -15.0574 -14.1946 -14.1946 -12.0695 -12.0695 -12.0434 -12.0434 -11.7511 -11.7511 -11.6947 -11.6947 -11.6851 -11.6851 -11.3783 -11.3783 -2.4502 -2.4502 -1.1785 -1.1785 3.0300 3.0300 3.2078 3.2078 3.2367 3.2367 3.7950 3.7950 4.8231 4.8231 4.8693 4.8693 5.7044 5.7044 5.7762 5.7762 6.5643 6.5643 6.6339 6.6339 7.5755 7.5755 7.6727 7.6727 7.7106 7.7106 9.2639 9.2639 9.6536 9.6536 10.1157 10.1157 10.1636 10.1636 10.2344 10.2344 10.4661 10.4661 10.9175 10.9175 12.1679 12.1679 12.6261 12.6261 12.7964 12.7964 13.7081 13.7081 k = 0.0169 0.0169 0.2298 ( 4868 PWs) bands (ev): -30.8345 -30.8345 -30.8091 -30.8091 -15.0581 -15.0581 -14.1917 -14.1917 -12.0679 -12.0679 -12.0456 -12.0456 -11.7519 -11.7519 -11.6941 -11.6941 -11.6849 -11.6849 -11.3788 -11.3788 -2.4552 -2.4552 -1.1801 -1.1801 3.0270 3.0270 3.2060 3.2060 3.2333 3.2333 3.7948 3.7948 4.8288 4.8288 4.8722 4.8722 5.7009 5.7009 5.7765 5.7765 6.5673 6.5673 6.6361 6.6361 7.5877 7.5877 7.6711 7.6711 7.7185 7.7185 9.2606 9.2606 9.6535 9.6535 10.1500 10.1500 10.1710 10.1710 10.2457 10.2457 10.4256 10.4256 10.9128 10.9128 12.2299 12.2299 12.6323 12.6323 12.7380 12.7380 13.6952 13.6952 k = 0.0085 0.0085 0.2298 ( 4880 PWs) bands (ev): -30.8346 -30.8346 -30.8091 -30.8091 -15.0586 -15.0586 -14.1900 -14.1900 -12.0668 -12.0668 -12.0471 -12.0471 -11.7523 -11.7523 -11.6938 -11.6938 -11.6848 -11.6848 -11.3791 -11.3791 -2.4583 -2.4583 -1.1811 -1.1811 3.0251 3.0251 3.2046 3.2046 3.2315 3.2315 3.7946 3.7946 4.8317 4.8317 4.8744 4.8744 5.6988 5.6988 5.7767 5.7767 6.5690 6.5690 6.6376 6.6376 7.5946 7.5946 7.6697 7.6697 7.7243 7.7243 9.2584 9.2584 9.6534 9.6534 10.1657 10.1657 10.1834 10.1834 10.2582 10.2582 10.3927 10.3927 10.9099 10.9099 12.2770 12.2770 12.6258 12.6258 12.7034 12.7034 13.6875 13.6875 k = 0.0000 0.0000 0.2298 ( 4884 PWs) bands (ev): -30.8346 -30.8346 -30.8091 -30.8091 -15.0587 -15.0587 -14.1894 -14.1894 -12.0665 -12.0665 -12.0476 -12.0476 -11.7525 -11.7525 -11.6937 -11.6937 -11.6848 -11.6848 -11.3792 -11.3792 -2.4593 -2.4593 -1.1815 -1.1815 3.0245 3.0245 3.2041 3.2041 3.2310 3.2310 3.7946 3.7946 4.8325 4.8325 4.8753 4.8753 5.6981 5.6981 5.7767 5.7767 6.5695 6.5695 6.6382 6.6382 7.5968 7.5968 7.6693 7.6693 7.7263 7.7263 9.2576 9.2576 9.6533 9.6533 10.1683 10.1683 10.1905 10.1905 10.2653 10.2653 10.3784 10.3784 10.9089 10.9089 12.2956 12.2956 12.6182 12.6182 12.6944 12.6944 13.6849 13.6849 k = 0.0000 0.5000-0.0000 ( 4840 PWs) bands (ev): -30.8112 -30.8112 -30.8112 -30.8112 -14.7685 -14.7685 -14.7685 -14.7685 -12.0301 -12.0301 -12.0301 -12.0301 -11.7201 -11.7201 -11.7201 -11.7201 -11.4944 -11.4944 -11.4944 -11.4944 -1.2748 -1.2748 -1.2748 -1.2748 3.5376 3.5376 3.5376 3.5376 3.9032 3.9032 3.9032 3.9032 3.9448 3.9448 3.9448 3.9448 5.1426 5.1426 5.1426 5.1426 6.8057 6.8057 6.8057 6.8057 7.0591 7.0591 7.0591 7.0591 8.8264 8.8264 8.8264 8.8264 9.1246 9.1246 9.1246 9.1246 9.3769 9.3769 9.3769 9.3769 11.0766 11.0766 11.0766 11.0766 11.6129 11.6129 11.6129 11.6129 13.6068 13.6068 13.6068 13.6068 k = 0.0000 0.5000 0.0121 ( 4840 PWs) bands (ev): -30.8112 -30.8112 -30.8112 -30.8112 -14.7685 -14.7685 -14.7685 -14.7685 -12.0301 -12.0301 -12.0301 -12.0301 -11.7201 -11.7201 -11.7201 -11.7201 -11.4944 -11.4944 -11.4944 -11.4944 -1.2748 -1.2748 -1.2748 -1.2748 3.5380 3.5380 3.5380 3.5380 3.9030 3.9030 3.9030 3.9030 3.9448 3.9448 3.9448 3.9448 5.1420 5.1420 5.1420 5.1420 6.8063 6.8063 6.8063 6.8063 7.0591 7.0591 7.0591 7.0591 8.8264 8.8264 8.8264 8.8264 9.1246 9.1246 9.1246 9.1246 9.3766 9.3766 9.3766 9.3766 11.0776 11.0776 11.0776 11.0776 11.6131 11.6131 11.6131 11.6131 13.6069 13.6069 13.6069 13.6069 k = 0.0000 0.5000 0.0242 ( 4828 PWs) bands (ev): -30.8112 -30.8112 -30.8112 -30.8112 -14.7685 -14.7685 -14.7685 -14.7685 -12.0300 -12.0300 -12.0300 -12.0300 -11.7201 -11.7201 -11.7201 -11.7201 -11.4943 -11.4943 -11.4943 -11.4943 -1.2748 -1.2748 -1.2748 -1.2748 3.5391 3.5391 3.5391 3.5391 3.9024 3.9024 3.9024 3.9024 3.9446 3.9446 3.9446 3.9446 5.1401 5.1401 5.1401 5.1401 6.8084 6.8084 6.8084 6.8084 7.0591 7.0591 7.0591 7.0591 8.8263 8.8263 8.8263 8.8263 9.1244 9.1244 9.1244 9.1244 9.3759 9.3759 9.3759 9.3759 11.0805 11.0805 11.0805 11.0805 11.6138 11.6138 11.6138 11.6138 13.6075 13.6075 13.6075 13.6075 k = 0.0000 0.5000 0.0363 ( 4826 PWs) bands (ev): -30.8112 -30.8112 -30.8112 -30.8112 -14.7685 -14.7685 -14.7685 -14.7685 -12.0300 -12.0300 -12.0300 -12.0300 -11.7201 -11.7201 -11.7201 -11.7201 -11.4944 -11.4944 -11.4944 -11.4944 -1.2748 -1.2748 -1.2748 -1.2748 3.5408 3.5408 3.5408 3.5408 3.9013 3.9013 3.9013 3.9013 3.9444 3.9444 3.9444 3.9444 5.1370 5.1370 5.1370 5.1370 6.8117 6.8117 6.8117 6.8117 7.0591 7.0591 7.0591 7.0591 8.8262 8.8262 8.8262 8.8262 9.1242 9.1242 9.1242 9.1242 9.3747 9.3747 9.3747 9.3747 11.0852 11.0852 11.0852 11.0852 11.6150 11.6150 11.6150 11.6150 13.6083 13.6083 13.6083 13.6083 k = 0.0000 0.5000 0.0484 ( 4832 PWs) bands (ev): -30.8112 -30.8112 -30.8112 -30.8112 -14.7685 -14.7685 -14.7685 -14.7685 -12.0300 -12.0300 -12.0300 -12.0300 -11.7201 -11.7201 -11.7201 -11.7201 -11.4944 -11.4944 -11.4944 -11.4944 -1.2747 -1.2747 -1.2747 -1.2747 3.5433 3.5433 3.5433 3.5433 3.8999 3.8999 3.8999 3.8999 3.9440 3.9440 3.9440 3.9440 5.1327 5.1327 5.1327 5.1327 6.8161 6.8161 6.8161 6.8161 7.0591 7.0591 7.0591 7.0591 8.8260 8.8260 8.8260 8.8260 9.1239 9.1239 9.1239 9.1239 9.3729 9.3729 9.3729 9.3729 11.0916 11.0916 11.0916 11.0916 11.6165 11.6165 11.6165 11.6165 13.6095 13.6095 13.6095 13.6095 k = 0.0000 0.5000 0.0605 ( 4828 PWs) bands (ev): -30.8112 -30.8112 -30.8112 -30.8112 -14.7685 -14.7685 -14.7685 -14.7685 -12.0300 -12.0300 -12.0300 -12.0300 -11.7200 -11.7200 -11.7200 -11.7200 -11.4945 -11.4945 -11.4945 -11.4945 -1.2747 -1.2747 -1.2747 -1.2747 3.5463 3.5463 3.5463 3.5463 3.8980 3.8980 3.8980 3.8980 3.9436 3.9436 3.9436 3.9436 5.1276 5.1276 5.1276 5.1276 6.8216 6.8216 6.8216 6.8216 7.0591 7.0591 7.0591 7.0591 8.8259 8.8259 8.8259 8.8259 9.1234 9.1234 9.1234 9.1234 9.3709 9.3709 9.3709 9.3709 11.0996 11.0996 11.0996 11.0996 11.6184 11.6184 11.6184 11.6184 13.6110 13.6110 13.6110 13.6110 k = 0.0000 0.5000 0.0726 ( 4828 PWs) bands (ev): -30.8112 -30.8112 -30.8112 -30.8112 -14.7685 -14.7685 -14.7685 -14.7685 -12.0300 -12.0300 -12.0300 -12.0300 -11.7200 -11.7200 -11.7200 -11.7200 -11.4945 -11.4945 -11.4945 -11.4945 -1.2746 -1.2746 -1.2746 -1.2746 3.5500 3.5500 3.5500 3.5500 3.8958 3.8958 3.8958 3.8958 3.9432 3.9432 3.9432 3.9432 5.1215 5.1215 5.1215 5.1215 6.8280 6.8280 6.8280 6.8280 7.0592 7.0592 7.0592 7.0592 8.8256 8.8256 8.8256 8.8256 9.1230 9.1230 9.1230 9.1230 9.3684 9.3684 9.3684 9.3684 11.1090 11.1090 11.1090 11.1090 11.6207 11.6207 11.6207 11.6207 13.6127 13.6127 13.6127 13.6127 k = 0.0000 0.5000 0.0847 ( 4832 PWs) bands (ev): -30.8112 -30.8112 -30.8112 -30.8112 -14.7685 -14.7685 -14.7685 -14.7685 -12.0299 -12.0299 -12.0299 -12.0299 -11.7199 -11.7199 -11.7199 -11.7199 -11.4946 -11.4946 -11.4946 -11.4946 -1.2745 -1.2745 -1.2745 -1.2745 3.5541 3.5541 3.5541 3.5541 3.8931 3.8931 3.8931 3.8931 3.9427 3.9427 3.9427 3.9427 5.1149 5.1149 5.1149 5.1149 6.8350 6.8350 6.8350 6.8350 7.0592 7.0592 7.0592 7.0592 8.8254 8.8254 8.8254 8.8254 9.1224 9.1224 9.1224 9.1224 9.3658 9.3658 9.3658 9.3658 11.1194 11.1194 11.1194 11.1194 11.6232 11.6232 11.6232 11.6232 13.6147 13.6147 13.6147 13.6147 k = 0.0000 0.5000 0.0967 ( 4832 PWs) bands (ev): -30.8112 -30.8112 -30.8112 -30.8112 -14.7685 -14.7685 -14.7685 -14.7685 -12.0299 -12.0299 -12.0299 -12.0299 -11.7199 -11.7199 -11.7199 -11.7199 -11.4947 -11.4947 -11.4947 -11.4947 -1.2744 -1.2744 -1.2744 -1.2744 3.5587 3.5587 3.5587 3.5587 3.8902 3.8902 3.8902 3.8902 3.9422 3.9422 3.9422 3.9422 5.1078 5.1078 5.1078 5.1078 6.8425 6.8425 6.8425 6.8425 7.0592 7.0592 7.0592 7.0592 8.8251 8.8251 8.8251 8.8251 9.1218 9.1218 9.1218 9.1218 9.3630 9.3630 9.3630 9.3630 11.1308 11.1308 11.1308 11.1308 11.6258 11.6258 11.6258 11.6258 13.6169 13.6169 13.6169 13.6169 k = 0.0000 0.5000 0.1088 ( 4838 PWs) bands (ev): -30.8112 -30.8112 -30.8112 -30.8112 -14.7685 -14.7685 -14.7685 -14.7685 -12.0299 -12.0299 -12.0299 -12.0299 -11.7199 -11.7199 -11.7199 -11.7199 -11.4947 -11.4947 -11.4947 -11.4947 -1.2744 -1.2744 -1.2744 -1.2744 3.5636 3.5636 3.5636 3.5636 3.8869 3.8869 3.8869 3.8869 3.9418 3.9418 3.9418 3.9418 5.1005 5.1005 5.1005 5.1005 6.8502 6.8502 6.8502 6.8502 7.0592 7.0592 7.0592 7.0592 8.8248 8.8248 8.8248 8.8248 9.1212 9.1212 9.1212 9.1212 9.3600 9.3600 9.3600 9.3600 11.1426 11.1426 11.1426 11.1426 11.6286 11.6286 11.6286 11.6286 13.6193 13.6193 13.6193 13.6193 k = 0.0000 0.5000 0.1209 ( 4842 PWs) bands (ev): -30.8112 -30.8112 -30.8112 -30.8112 -14.7685 -14.7685 -14.7685 -14.7685 -12.0299 -12.0299 -12.0299 -12.0299 -11.7198 -11.7198 -11.7198 -11.7198 -11.4948 -11.4948 -11.4948 -11.4948 -1.2743 -1.2743 -1.2743 -1.2743 3.5687 3.5687 3.5687 3.5687 3.8833 3.8833 3.8833 3.8833 3.9414 3.9414 3.9414 3.9414 5.0931 5.0931 5.0931 5.0931 6.8580 6.8580 6.8580 6.8580 7.0593 7.0593 7.0593 7.0593 8.8245 8.8245 8.8245 8.8245 9.1205 9.1205 9.1205 9.1205 9.3570 9.3570 9.3570 9.3570 11.1547 11.1547 11.1547 11.1547 11.6315 11.6315 11.6315 11.6315 13.6217 13.6217 13.6217 13.6217 k = 0.0000 0.5000 0.1330 ( 4842 PWs) bands (ev): -30.8112 -30.8112 -30.8112 -30.8112 -14.7685 -14.7685 -14.7685 -14.7685 -12.0298 -12.0298 -12.0298 -12.0298 -11.7198 -11.7198 -11.7198 -11.7198 -11.4949 -11.4949 -11.4949 -11.4949 -1.2742 -1.2742 -1.2742 -1.2742 3.5738 3.5738 3.5738 3.5738 3.8797 3.8797 3.8797 3.8797 3.9411 3.9411 3.9411 3.9411 5.0859 5.0859 5.0859 5.0859 6.8656 6.8656 6.8656 6.8656 7.0594 7.0594 7.0594 7.0594 8.8242 8.8242 8.8242 8.8242 9.1199 9.1199 9.1199 9.1199 9.3541 9.3541 9.3541 9.3541 11.1667 11.1667 11.1667 11.1667 11.6344 11.6344 11.6344 11.6344 13.6242 13.6242 13.6242 13.6242 k = 0.0000 0.5000 0.1451 ( 4822 PWs) bands (ev): -30.8112 -30.8112 -30.8112 -30.8112 -14.7685 -14.7685 -14.7685 -14.7685 -12.0298 -12.0298 -12.0298 -12.0298 -11.7197 -11.7197 -11.7197 -11.7197 -11.4949 -11.4949 -11.4949 -11.4949 -1.2741 -1.2741 -1.2741 -1.2741 3.5790 3.5790 3.5790 3.5790 3.8760 3.8760 3.8760 3.8760 3.9408 3.9408 3.9408 3.9408 5.0791 5.0791 5.0791 5.0791 6.8728 6.8728 6.8728 6.8728 7.0595 7.0595 7.0595 7.0595 8.8240 8.8240 8.8240 8.8240 9.1193 9.1193 9.1193 9.1193 9.3514 9.3514 9.3514 9.3514 11.1784 11.1784 11.1784 11.1784 11.6371 11.6371 11.6371 11.6371 13.6267 13.6267 13.6267 13.6267 k = 0.0000 0.5000 0.1572 ( 4820 PWs) bands (ev): -30.8112 -30.8112 -30.8112 -30.8112 -14.7685 -14.7685 -14.7685 -14.7685 -12.0297 -12.0297 -12.0297 -12.0297 -11.7197 -11.7197 -11.7197 -11.7197 -11.4950 -11.4950 -11.4950 -11.4950 -1.2740 -1.2740 -1.2740 -1.2740 3.5839 3.5839 3.5839 3.5839 3.8723 3.8723 3.8723 3.8723 3.9405 3.9405 3.9405 3.9405 5.0728 5.0728 5.0728 5.0728 6.8795 6.8795 6.8795 6.8795 7.0596 7.0596 7.0596 7.0596 8.8237 8.8237 8.8237 8.8237 9.1187 9.1187 9.1187 9.1187 9.3489 9.3489 9.3489 9.3489 11.1892 11.1892 11.1892 11.1892 11.6397 11.6397 11.6397 11.6397 13.6291 13.6291 13.6291 13.6291 k = 0.0000 0.5000 0.1693 ( 4816 PWs) bands (ev): -30.8111 -30.8111 -30.8111 -30.8111 -14.7685 -14.7685 -14.7685 -14.7685 -12.0297 -12.0297 -12.0297 -12.0297 -11.7196 -11.7196 -11.7196 -11.7196 -11.4951 -11.4951 -11.4951 -11.4951 -1.2740 -1.2740 -1.2740 -1.2740 3.5885 3.5885 3.5885 3.5885 3.8689 3.8689 3.8689 3.8689 3.9403 3.9403 3.9403 3.9403 5.0671 5.0671 5.0671 5.0671 6.8854 6.8854 6.8854 6.8854 7.0597 7.0597 7.0597 7.0597 8.8235 8.8235 8.8235 8.8235 9.1181 9.1181 9.1181 9.1181 9.3467 9.3467 9.3467 9.3467 11.1990 11.1990 11.1990 11.1990 11.6420 11.6420 11.6420 11.6420 13.6313 13.6313 13.6313 13.6313 k = 0.0000 0.5000 0.1814 ( 4816 PWs) bands (ev): -30.8111 -30.8111 -30.8111 -30.8111 -14.7685 -14.7685 -14.7685 -14.7685 -12.0297 -12.0297 -12.0297 -12.0297 -11.7196 -11.7196 -11.7196 -11.7196 -11.4951 -11.4951 -11.4951 -11.4951 -1.2739 -1.2739 -1.2739 -1.2739 3.5925 3.5925 3.5925 3.5925 3.8658 3.8658 3.8658 3.8658 3.9402 3.9402 3.9402 3.9402 5.0623 5.0623 5.0623 5.0623 6.8904 6.8904 6.8904 6.8904 7.0598 7.0598 7.0598 7.0598 8.8233 8.8233 8.8233 8.8233 9.1176 9.1176 9.1176 9.1176 9.3448 9.3448 9.3448 9.3448 11.2074 11.2074 11.2074 11.2074 11.6440 11.6440 11.6440 11.6440 13.6332 13.6332 13.6332 13.6332 k = 0.0000 0.5000 0.1935 ( 4830 PWs) bands (ev): -30.8112 -30.8112 -30.8112 -30.8112 -14.7685 -14.7685 -14.7685 -14.7685 -12.0297 -12.0297 -12.0297 -12.0297 -11.7196 -11.7196 -11.7196 -11.7196 -11.4952 -11.4952 -11.4952 -11.4952 -1.2739 -1.2739 -1.2739 -1.2739 3.5958 3.5958 3.5958 3.5958 3.8633 3.8633 3.8633 3.8633 3.9400 3.9400 3.9400 3.9400 5.0585 5.0585 5.0585 5.0585 6.8945 6.8945 6.8945 6.8945 7.0599 7.0599 7.0599 7.0599 8.8232 8.8232 8.8232 8.8232 9.1172 9.1172 9.1172 9.1172 9.3432 9.3432 9.3432 9.3432 11.2143 11.2143 11.2143 11.2143 11.6455 11.6455 11.6455 11.6455 13.6348 13.6348 13.6348 13.6348 k = 0.0000 0.5000 0.2056 ( 4834 PWs) bands (ev): -30.8112 -30.8112 -30.8112 -30.8112 -14.7685 -14.7685 -14.7685 -14.7685 -12.0297 -12.0297 -12.0297 -12.0297 -11.7196 -11.7196 -11.7196 -11.7196 -11.4952 -11.4952 -11.4952 -11.4952 -1.2738 -1.2738 -1.2738 -1.2738 3.5983 3.5983 3.5983 3.5983 3.8613 3.8613 3.8613 3.8613 3.9399 3.9399 3.9399 3.9399 5.0556 5.0556 5.0556 5.0556 6.8974 6.8974 6.8974 6.8974 7.0600 7.0600 7.0600 7.0600 8.8230 8.8230 8.8230 8.8230 9.1169 9.1169 9.1169 9.1169 9.3421 9.3421 9.3421 9.3421 11.2193 11.2193 11.2193 11.2193 11.6467 11.6467 11.6467 11.6467 13.6360 13.6360 13.6360 13.6360 k = 0.0000 0.5000 0.2177 ( 4830 PWs) bands (ev): -30.8112 -30.8112 -30.8112 -30.8112 -14.7685 -14.7685 -14.7685 -14.7685 -12.0297 -12.0297 -12.0297 -12.0297 -11.7196 -11.7196 -11.7196 -11.7196 -11.4952 -11.4952 -11.4952 -11.4952 -1.2738 -1.2738 -1.2738 -1.2738 3.5999 3.5999 3.5999 3.5999 3.8601 3.8601 3.8601 3.8601 3.9399 3.9399 3.9399 3.9399 5.0539 5.0539 5.0539 5.0539 6.8992 6.8992 6.8992 6.8992 7.0600 7.0600 7.0600 7.0600 8.8230 8.8230 8.8230 8.8230 9.1167 9.1167 9.1167 9.1167 9.3414 9.3414 9.3414 9.3414 11.2224 11.2224 11.2224 11.2224 11.6474 11.6474 11.6474 11.6474 13.6367 13.6367 13.6367 13.6367 k = 0.0000 0.5000 0.2298 ( 4824 PWs) bands (ev): -30.8112 -30.8112 -30.8112 -30.8112 -14.7685 -14.7685 -14.7685 -14.7685 -12.0297 -12.0297 -12.0297 -12.0297 -11.7196 -11.7196 -11.7196 -11.7196 -11.4952 -11.4952 -11.4952 -11.4952 -1.2738 -1.2738 -1.2738 -1.2738 3.6004 3.6004 3.6004 3.6004 3.8597 3.8597 3.8597 3.8597 3.9399 3.9399 3.9399 3.9399 5.0533 5.0533 5.0533 5.0533 6.8999 6.8999 6.8999 6.8999 7.0600 7.0600 7.0600 7.0600 8.8230 8.8230 8.8230 8.8230 9.1167 9.1167 9.1167 9.1167 9.3412 9.3412 9.3412 9.3412 11.2234 11.2234 11.2234 11.2234 11.6477 11.6477 11.6477 11.6477 13.6370 13.6370 13.6370 13.6370 k = 0.5000 0.5000-0.0000 ( 4848 PWs) bands (ev): -30.8008 -30.8008 -30.8008 -30.8008 -14.8476 -14.8476 -14.8476 -14.8476 -12.0631 -12.0631 -12.0631 -12.0631 -11.7566 -11.7566 -11.7566 -11.7566 -11.4033 -11.4033 -11.4033 -11.4033 -0.8027 -0.8027 -0.8027 -0.8027 2.8671 2.8671 2.8671 2.8671 3.9663 3.9663 3.9663 3.9663 4.6114 4.6114 4.6114 4.6114 5.0049 5.0049 5.0049 5.0049 6.6974 6.6974 6.6974 6.6974 7.5288 7.5288 7.5288 7.5288 8.1465 8.1465 8.1465 8.1465 8.3602 8.3602 8.3602 8.3602 9.4571 9.4571 9.4571 9.4571 9.8711 9.8711 9.8711 9.8711 11.1538 11.1538 11.1538 11.1538 14.0386 14.0386 14.0386 14.0386 k = 0.5000 0.5000 0.0121 ( 4828 PWs) bands (ev): -30.8008 -30.8008 -30.8008 -30.8008 -14.8475 -14.8475 -14.8475 -14.8475 -12.0630 -12.0630 -12.0630 -12.0630 -11.7566 -11.7566 -11.7566 -11.7566 -11.4033 -11.4033 -11.4033 -11.4033 -0.8027 -0.8027 -0.8027 -0.8027 2.8670 2.8670 2.8670 2.8670 3.9661 3.9661 3.9661 3.9661 4.6118 4.6118 4.6118 4.6118 5.0049 5.0049 5.0049 5.0049 6.6971 6.6971 6.6971 6.6971 7.5291 7.5291 7.5291 7.5291 8.1463 8.1463 8.1463 8.1463 8.3603 8.3603 8.3603 8.3603 9.4571 9.4571 9.4571 9.4571 9.8711 9.8711 9.8711 9.8711 11.1539 11.1539 11.1539 11.1539 14.0400 14.0400 14.0400 14.0400 k = 0.5000 0.5000 0.0242 ( 4832 PWs) bands (ev): -30.8008 -30.8008 -30.8008 -30.8008 -14.8475 -14.8475 -14.8475 -14.8475 -12.0630 -12.0630 -12.0630 -12.0630 -11.7566 -11.7566 -11.7566 -11.7566 -11.4032 -11.4032 -11.4032 -11.4032 -0.8027 -0.8027 -0.8027 -0.8027 2.8667 2.8667 2.8667 2.8667 3.9655 3.9655 3.9655 3.9655 4.6130 4.6130 4.6130 4.6130 5.0049 5.0049 5.0049 5.0049 6.6962 6.6962 6.6962 6.6962 7.5302 7.5302 7.5302 7.5302 8.1457 8.1457 8.1457 8.1457 8.3605 8.3605 8.3605 8.3605 9.4570 9.4570 9.4570 9.4570 9.8711 9.8711 9.8711 9.8711 11.1540 11.1540 11.1540 11.1540 14.0440 14.0440 14.0440 14.0440 k = 0.5000 0.5000 0.0363 ( 4844 PWs) bands (ev): -30.8008 -30.8008 -30.8008 -30.8008 -14.8476 -14.8476 -14.8476 -14.8476 -12.0631 -12.0631 -12.0631 -12.0631 -11.7566 -11.7566 -11.7566 -11.7566 -11.4032 -11.4032 -11.4032 -11.4032 -0.8026 -0.8026 -0.8026 -0.8026 2.8663 2.8663 2.8663 2.8663 3.9644 3.9644 3.9644 3.9644 4.6149 4.6149 4.6149 4.6149 5.0049 5.0049 5.0049 5.0049 6.6947 6.6947 6.6947 6.6947 7.5319 7.5319 7.5319 7.5319 8.1447 8.1447 8.1447 8.1447 8.3608 8.3608 8.3608 8.3608 9.4569 9.4569 9.4569 9.4569 9.8711 9.8711 9.8711 9.8711 11.1541 11.1541 11.1541 11.1541 14.0507 14.0507 14.0507 14.0507 k = 0.5000 0.5000 0.0484 ( 4856 PWs) bands (ev): -30.8008 -30.8008 -30.8008 -30.8008 -14.8476 -14.8476 -14.8476 -14.8476 -12.0631 -12.0631 -12.0631 -12.0631 -11.7567 -11.7567 -11.7567 -11.7567 -11.4032 -11.4032 -11.4032 -11.4032 -0.8025 -0.8025 -0.8025 -0.8025 2.8657 2.8657 2.8657 2.8657 3.9630 3.9630 3.9630 3.9630 4.6175 4.6175 4.6175 4.6175 5.0049 5.0049 5.0049 5.0049 6.6926 6.6926 6.6926 6.6926 7.5342 7.5342 7.5342 7.5342 8.1432 8.1432 8.1432 8.1432 8.3612 8.3612 8.3612 8.3612 9.4566 9.4566 9.4566 9.4566 9.8710 9.8710 9.8710 9.8710 11.1544 11.1544 11.1544 11.1544 14.0599 14.0599 14.0599 14.0599 k = 0.5000 0.5000 0.0605 ( 4856 PWs) bands (ev): -30.8008 -30.8008 -30.8008 -30.8008 -14.8476 -14.8476 -14.8476 -14.8476 -12.0631 -12.0631 -12.0631 -12.0631 -11.7567 -11.7567 -11.7567 -11.7567 -11.4032 -11.4032 -11.4032 -11.4032 -0.8023 -0.8023 -0.8023 -0.8023 2.8649 2.8649 2.8649 2.8649 3.9613 3.9613 3.9613 3.9613 4.6207 4.6207 4.6207 4.6207 5.0049 5.0049 5.0049 5.0049 6.6901 6.6901 6.6901 6.6901 7.5371 7.5371 7.5371 7.5371 8.1415 8.1415 8.1415 8.1415 8.3618 8.3618 8.3618 8.3618 9.4564 9.4564 9.4564 9.4564 9.8711 9.8711 9.8711 9.8711 11.1547 11.1547 11.1547 11.1547 14.0718 14.0718 14.0718 14.0718 k = 0.5000 0.5000 0.0726 ( 4884 PWs) bands (ev): -30.8008 -30.8008 -30.8008 -30.8008 -14.8476 -14.8476 -14.8476 -14.8476 -12.0632 -12.0632 -12.0632 -12.0632 -11.7567 -11.7567 -11.7567 -11.7567 -11.4032 -11.4032 -11.4032 -11.4032 -0.8021 -0.8021 -0.8021 -0.8021 2.8640 2.8640 2.8640 2.8640 3.9593 3.9593 3.9593 3.9593 4.6245 4.6245 4.6245 4.6245 5.0049 5.0049 5.0049 5.0049 6.6872 6.6872 6.6872 6.6872 7.5405 7.5405 7.5405 7.5405 8.1394 8.1394 8.1394 8.1394 8.3624 8.3624 8.3624 8.3624 9.4560 9.4560 9.4560 9.4560 9.8710 9.8710 9.8710 9.8710 11.1550 11.1550 11.1550 11.1550 14.0859 14.0859 14.0859 14.0859 k = 0.5000 0.5000 0.0847 ( 4884 PWs) bands (ev): -30.8008 -30.8008 -30.8008 -30.8008 -14.8476 -14.8476 -14.8476 -14.8476 -12.0632 -12.0632 -12.0632 -12.0632 -11.7568 -11.7568 -11.7568 -11.7568 -11.4032 -11.4032 -11.4032 -11.4032 -0.8020 -0.8020 -0.8020 -0.8020 2.8630 2.8630 2.8630 2.8630 3.9571 3.9571 3.9571 3.9571 4.6286 4.6286 4.6286 4.6286 5.0049 5.0049 5.0049 5.0049 6.6839 6.6839 6.6839 6.6839 7.5444 7.5444 7.5444 7.5444 8.1371 8.1371 8.1371 8.1371 8.3631 8.3631 8.3631 8.3631 9.4557 9.4557 9.4557 9.4557 9.8710 9.8710 9.8710 9.8710 11.1555 11.1555 11.1555 11.1555 14.1024 14.1024 14.1024 14.1024 k = 0.5000 0.5000 0.0967 ( 4892 PWs) bands (ev): -30.8008 -30.8008 -30.8008 -30.8008 -14.8476 -14.8476 -14.8476 -14.8476 -12.0633 -12.0633 -12.0633 -12.0633 -11.7568 -11.7568 -11.7568 -11.7568 -11.4032 -11.4032 -11.4032 -11.4032 -0.8017 -0.8017 -0.8017 -0.8017 2.8620 2.8620 2.8620 2.8620 3.9548 3.9548 3.9548 3.9548 4.6330 4.6330 4.6330 4.6330 5.0049 5.0049 5.0049 5.0049 6.6804 6.6804 6.6804 6.6804 7.5485 7.5485 7.5485 7.5485 8.1346 8.1346 8.1346 8.1346 8.3639 8.3639 8.3639 8.3639 9.4553 9.4553 9.4553 9.4553 9.8710 9.8710 9.8710 9.8710 11.1559 11.1559 11.1559 11.1559 14.1210 14.1210 14.1210 14.1210 k = 0.5000 0.5000 0.1088 ( 4892 PWs) bands (ev): -30.8008 -30.8008 -30.8008 -30.8008 -14.8476 -14.8476 -14.8476 -14.8476 -12.0633 -12.0633 -12.0633 -12.0633 -11.7568 -11.7568 -11.7568 -11.7568 -11.4031 -11.4031 -11.4031 -11.4031 -0.8015 -0.8015 -0.8015 -0.8015 2.8609 2.8609 2.8609 2.8609 3.9524 3.9524 3.9524 3.9524 4.6377 4.6377 4.6377 4.6377 5.0049 5.0049 5.0049 5.0049 6.6767 6.6767 6.6767 6.6767 7.5529 7.5529 7.5529 7.5529 8.1319 8.1319 8.1319 8.1319 8.3647 8.3647 8.3647 8.3647 9.4549 9.4549 9.4549 9.4549 9.8711 9.8711 9.8711 9.8711 11.1564 11.1564 11.1564 11.1564 14.1414 14.1414 14.1414 14.1414 k = 0.5000 0.5000 0.1209 ( 4892 PWs) bands (ev): -30.8008 -30.8008 -30.8008 -30.8008 -14.8475 -14.8475 -14.8475 -14.8475 -12.0633 -12.0633 -12.0633 -12.0633 -11.7568 -11.7568 -11.7568 -11.7568 -11.4031 -11.4031 -11.4031 -11.4031 -0.8013 -0.8013 -0.8013 -0.8013 2.8598 2.8598 2.8598 2.8598 3.9499 3.9499 3.9499 3.9499 4.6423 4.6423 4.6423 4.6423 5.0049 5.0049 5.0049 5.0049 6.6730 6.6730 6.6730 6.6730 7.5573 7.5573 7.5573 7.5573 8.1292 8.1292 8.1292 8.1292 8.3656 8.3656 8.3656 8.3656 9.4545 9.4545 9.4545 9.4545 9.8711 9.8711 9.8711 9.8711 11.1569 11.1569 11.1569 11.1569 14.1634 14.1634 14.1634 14.1634 k = 0.5000 0.5000 0.1330 ( 4900 PWs) bands (ev): -30.8008 -30.8008 -30.8008 -30.8008 -14.8475 -14.8475 -14.8475 -14.8475 -12.0633 -12.0633 -12.0633 -12.0633 -11.7569 -11.7569 -11.7569 -11.7569 -11.4031 -11.4031 -11.4031 -11.4031 -0.8011 -0.8011 -0.8011 -0.8011 2.8587 2.8587 2.8587 2.8587 3.9476 3.9476 3.9476 3.9476 4.6469 4.6469 4.6469 4.6469 5.0049 5.0049 5.0049 5.0049 6.6693 6.6693 6.6693 6.6693 7.5618 7.5618 7.5618 7.5618 8.1265 8.1265 8.1265 8.1265 8.3664 8.3664 8.3664 8.3664 9.4541 9.4541 9.4541 9.4541 9.8711 9.8711 9.8711 9.8711 11.1574 11.1574 11.1574 11.1574 14.1866 14.1866 14.1866 14.1866 k = 0.5000 0.5000 0.1451 ( 4884 PWs) bands (ev): -30.8008 -30.8008 -30.8008 -30.8008 -14.8475 -14.8475 -14.8475 -14.8475 -12.0633 -12.0633 -12.0633 -12.0633 -11.7568 -11.7568 -11.7568 -11.7568 -11.4030 -11.4030 -11.4030 -11.4030 -0.8009 -0.8009 -0.8009 -0.8009 2.8577 2.8577 2.8577 2.8577 3.9454 3.9454 3.9454 3.9454 4.6513 4.6513 4.6513 4.6513 5.0049 5.0049 5.0049 5.0049 6.6657 6.6657 6.6657 6.6657 7.5661 7.5661 7.5661 7.5661 8.1238 8.1238 8.1238 8.1238 8.3672 8.3672 8.3672 8.3672 9.4537 9.4537 9.4537 9.4537 9.8711 9.8711 9.8711 9.8711 11.1579 11.1579 11.1579 11.1579 14.2105 14.2105 14.2105 14.2105 k = 0.5000 0.5000 0.1572 ( 4884 PWs) bands (ev): -30.8008 -30.8008 -30.8008 -30.8008 -14.8475 -14.8475 -14.8475 -14.8475 -12.0634 -12.0634 -12.0634 -12.0634 -11.7568 -11.7568 -11.7568 -11.7568 -11.4030 -11.4030 -11.4030 -11.4030 -0.8007 -0.8007 -0.8007 -0.8007 2.8567 2.8567 2.8567 2.8567 3.9433 3.9433 3.9433 3.9433 4.6553 4.6553 4.6553 4.6553 5.0049 5.0049 5.0049 5.0049 6.6624 6.6624 6.6624 6.6624 7.5701 7.5701 7.5701 7.5701 8.1213 8.1213 8.1213 8.1213 8.3679 8.3679 8.3679 8.3679 9.4534 9.4534 9.4534 9.4534 9.8711 9.8711 9.8711 9.8711 11.1583 11.1583 11.1583 11.1583 14.2345 14.2345 14.2345 14.2345 k = 0.5000 0.5000 0.1693 ( 4884 PWs) bands (ev): -30.8008 -30.8008 -30.8008 -30.8008 -14.8475 -14.8475 -14.8475 -14.8475 -12.0634 -12.0634 -12.0634 -12.0634 -11.7569 -11.7569 -11.7569 -11.7569 -11.4029 -11.4029 -11.4029 -11.4029 -0.8005 -0.8005 -0.8005 -0.8005 2.8558 2.8558 2.8558 2.8558 3.9415 3.9415 3.9415 3.9415 4.6590 4.6590 4.6590 4.6590 5.0049 5.0049 5.0049 5.0049 6.6595 6.6595 6.6595 6.6595 7.5737 7.5737 7.5737 7.5737 8.1190 8.1190 8.1190 8.1190 8.3686 8.3686 8.3686 8.3686 9.4531 9.4531 9.4531 9.4531 9.8711 9.8711 9.8711 9.8711 11.1587 11.1587 11.1587 11.1587 14.2578 14.2578 14.2578 14.2578 k = 0.5000 0.5000 0.1814 ( 4900 PWs) bands (ev): -30.8008 -30.8008 -30.8008 -30.8008 -14.8475 -14.8475 -14.8475 -14.8475 -12.0634 -12.0634 -12.0634 -12.0634 -11.7569 -11.7569 -11.7569 -11.7569 -11.4029 -11.4029 -11.4029 -11.4029 -0.8004 -0.8004 -0.8004 -0.8004 2.8551 2.8551 2.8551 2.8551 3.9399 3.9399 3.9399 3.9399 4.6621 4.6621 4.6621 4.6621 5.0049 5.0049 5.0049 5.0049 6.6569 6.6569 6.6569 6.6569 7.5769 7.5769 7.5769 7.5769 8.1169 8.1169 8.1169 8.1169 8.3691 8.3691 8.3691 8.3691 9.4528 9.4528 9.4528 9.4528 9.8711 9.8711 9.8711 9.8711 11.1590 11.1590 11.1590 11.1590 14.2794 14.2794 14.2794 14.2794 k = 0.5000 0.5000 0.1935 ( 4900 PWs) bands (ev): -30.8008 -30.8008 -30.8008 -30.8008 -14.8475 -14.8475 -14.8475 -14.8475 -12.0634 -12.0634 -12.0634 -12.0634 -11.7569 -11.7569 -11.7569 -11.7569 -11.4029 -11.4029 -11.4029 -11.4029 -0.8003 -0.8003 -0.8003 -0.8003 2.8545 2.8545 2.8545 2.8545 3.9387 3.9387 3.9387 3.9387 4.6646 4.6646 4.6646 4.6646 5.0049 5.0049 5.0049 5.0049 6.6548 6.6548 6.6548 6.6548 7.5795 7.5795 7.5795 7.5795 8.1153 8.1153 8.1153 8.1153 8.3695 8.3695 8.3695 8.3695 9.4526 9.4526 9.4526 9.4526 9.8711 9.8711 9.8711 9.8711 11.1593 11.1593 11.1593 11.1593 14.2983 14.2983 14.2983 14.2983 k = 0.5000 0.5000 0.2056 ( 4920 PWs) bands (ev): -30.8008 -30.8008 -30.8008 -30.8008 -14.8475 -14.8475 -14.8475 -14.8475 -12.0635 -12.0635 -12.0635 -12.0635 -11.7570 -11.7570 -11.7570 -11.7570 -11.4029 -11.4029 -11.4029 -11.4029 -0.8002 -0.8002 -0.8002 -0.8002 2.8540 2.8540 2.8540 2.8540 3.9377 3.9377 3.9377 3.9377 4.6664 4.6664 4.6664 4.6664 5.0049 5.0049 5.0049 5.0049 6.6533 6.6533 6.6533 6.6533 7.5813 7.5813 7.5813 7.5813 8.1141 8.1141 8.1141 8.1141 8.3698 8.3698 8.3698 8.3698 9.4524 9.4524 9.4524 9.4524 9.8711 9.8711 9.8711 9.8711 11.1595 11.1595 11.1595 11.1595 14.3130 14.3130 14.3130 14.3130 k = 0.5000 0.5000 0.2177 ( 4888 PWs) bands (ev): -30.8008 -30.8008 -30.8008 -30.8008 -14.8475 -14.8475 -14.8475 -14.8475 -12.0634 -12.0634 -12.0634 -12.0634 -11.7569 -11.7569 -11.7569 -11.7569 -11.4029 -11.4029 -11.4029 -11.4029 -0.8001 -0.8001 -0.8001 -0.8001 2.8538 2.8538 2.8538 2.8538 3.9372 3.9372 3.9372 3.9372 4.6675 4.6675 4.6675 4.6675 5.0049 5.0049 5.0049 5.0049 6.6524 6.6524 6.6524 6.6524 7.5825 7.5825 7.5825 7.5825 8.1134 8.1134 8.1134 8.1134 8.3700 8.3700 8.3700 8.3700 9.4523 9.4523 9.4523 9.4523 9.8712 9.8712 9.8712 9.8712 11.1597 11.1597 11.1597 11.1597 14.3226 14.3226 14.3226 14.3226 k = 0.5000 0.5000 0.2298 ( 4904 PWs) bands (ev): -30.8008 -30.8008 -30.8008 -30.8008 -14.8475 -14.8475 -14.8475 -14.8475 -12.0634 -12.0634 -12.0634 -12.0634 -11.7569 -11.7569 -11.7569 -11.7569 -11.4029 -11.4029 -11.4029 -11.4029 -0.8001 -0.8001 -0.8001 -0.8001 2.8537 2.8537 2.8537 2.8537 3.9370 3.9370 3.9370 3.9370 4.6679 4.6679 4.6679 4.6679 5.0049 5.0049 5.0049 5.0049 6.6521 6.6521 6.6521 6.6521 7.5829 7.5829 7.5829 7.5829 8.1131 8.1131 8.1131 8.1131 8.3701 8.3701 8.3701 8.3701 9.4523 9.4523 9.4523 9.4523 9.8712 9.8712 9.8712 9.8712 11.1597 11.1597 11.1597 11.1597 14.3258 14.3258 14.3258 14.3258 Writing output data file CaFeAsF.save init_run : 0.34s CPU 0.48s WALL ( 1 calls) electrons : 412.17s CPU 417.51s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 412.16s CPU 417.49s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.09s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.12s WALL ( 352 calls) cegterg : 387.11s CPU 391.62s WALL ( 858 calls) Called by sum_band: Called by *egterg: h_psi : 158.60s CPU 161.20s WALL ( 14763 calls) s_psi : 26.88s CPU 26.93s WALL ( 14763 calls) g_psi : 0.70s CPU 0.62s WALL ( 13553 calls) cdiaghg : 165.86s CPU 167.95s WALL ( 13905 calls) cegterg:over : 19.20s CPU 19.24s WALL ( 13553 calls) cegterg:upda : 17.22s CPU 17.43s WALL ( 13553 calls) cegterg:last : 7.87s CPU 7.95s WALL ( 1914 calls) cdiaghg:chol : 9.61s CPU 9.62s WALL ( 13905 calls) cdiaghg:inve : 6.82s CPU 7.00s WALL ( 13905 calls) cdiaghg:para : 11.68s CPU 11.76s WALL ( 27810 calls) Called by h_psi: h_psi:vloc : 123.80s CPU 125.78s WALL ( 14763 calls) h_psi:vnl : 34.20s CPU 34.79s WALL ( 14763 calls) add_vuspsi : 18.26s CPU 18.49s WALL ( 14763 calls) General routines calbec : 15.86s CPU 16.26s WALL ( 14763 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 114.21s CPU 116.50s WALL ( 1704128 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.24s CPU 0.33s WALL ( 704 calls) Parallel routines fft_scatter : 46.37s CPU 47.51s WALL ( 1704151 calls) PWSCF : 7m17.16s CPU 7m38.01s WALL This run was terminated on: 20:43:40 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=