Program PWSCF v.5.1.1 starts on 28Jul2015 at 0:45:18 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 32 processors R & G space division: proc/nbgrp/npool/nimage = 32 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: ./GeO2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 61 36 10 2523 1109 174 Max 62 37 12 2528 1124 177 Sum 1969 1159 337 80833 35741 5605 bravais-lattice index = 14 lattice parameter (alat) = 9.4241 a.u. unit-cell volume = 821.5009 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 2 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.424064 celldm(2)= 1.000000 celldm(3)= 1.133347 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.133347 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.882343 ) PseudoPot. # 1 for Ge read from file: /home/autes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 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 O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) O 6.00 15.99940 O( 1.00) 2 Sym. Ops. (no inversion) found (note: 4 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 - cryst. axis [1,1,0] cryst. s( 2) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 2) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2 (2) there are 4 classes and 2 irreducible representations the character table: E -E C2 -C2 G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E C2 -C2 G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 C2 2 -E -1 -C2 -2 Cartesian axes number of k points= 293 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034130 k( 2) = ( 0.0135135 0.0078020 -0.0000000), wk = 0.0034130 k( 3) = ( 0.0270270 0.0156041 -0.0000000), wk = 0.0034130 k( 4) = ( 0.0405405 0.0234061 -0.0000000), wk = 0.0034130 k( 5) = ( 0.0540540 0.0312081 -0.0000000), wk = 0.0034130 k( 6) = ( 0.0675676 0.0390102 -0.0000000), wk = 0.0034130 k( 7) = ( 0.0810811 0.0468122 -0.0000000), wk = 0.0034130 k( 8) = ( 0.0945946 0.0546142 -0.0000000), wk = 0.0034130 k( 9) = ( 0.1081081 0.0624162 -0.0000000), wk = 0.0034130 k( 10) = ( 0.1216216 0.0702183 -0.0000000), wk = 0.0034130 k( 11) = ( 0.1351351 0.0780203 -0.0000000), wk = 0.0034130 k( 12) = ( 0.1486486 0.0858223 -0.0000000), wk = 0.0034130 k( 13) = ( 0.1621622 0.0936244 -0.0000000), wk = 0.0034130 k( 14) = ( 0.1756757 0.1014264 -0.0000000), wk = 0.0034130 k( 15) = ( 0.1891892 0.1092284 -0.0000000), wk = 0.0034130 k( 16) = ( 0.2027027 0.1170305 -0.0000000), wk = 0.0034130 k( 17) = ( 0.2162162 0.1248325 -0.0000000), wk = 0.0034130 k( 18) = ( 0.2297297 0.1326345 -0.0000000), wk = 0.0034130 k( 19) = ( 0.2432432 0.1404366 -0.0000000), wk = 0.0034130 k( 20) = ( 0.2567568 0.1482386 -0.0000000), wk = 0.0034130 k( 21) = ( 0.2702703 0.1560406 -0.0000000), wk = 0.0034130 k( 22) = ( 0.2837838 0.1638426 -0.0000000), wk = 0.0034130 k( 23) = ( 0.2972973 0.1716447 -0.0000000), wk = 0.0034130 k( 24) = ( 0.3108108 0.1794467 -0.0000000), wk = 0.0034130 k( 25) = ( 0.3243243 0.1872487 -0.0000000), wk = 0.0034130 k( 26) = ( 0.3378378 0.1950508 -0.0000000), wk = 0.0034130 k( 27) = ( 0.3513514 0.2028528 -0.0000000), wk = 0.0034130 k( 28) = ( 0.3648649 0.2106548 -0.0000000), wk = 0.0034130 k( 29) = ( 0.3783784 0.2184569 -0.0000000), wk = 0.0034130 k( 30) = ( 0.3918919 0.2262589 -0.0000000), wk = 0.0034130 k( 31) = ( 0.4054054 0.2340609 -0.0000000), wk = 0.0034130 k( 32) = ( 0.4189189 0.2418630 -0.0000000), wk = 0.0034130 k( 33) = ( 0.4324324 0.2496650 -0.0000000), wk = 0.0034130 k( 34) = ( 0.4459459 0.2574670 -0.0000000), wk = 0.0034130 k( 35) = ( 0.4594595 0.2652690 -0.0000000), wk = 0.0034130 k( 36) = ( 0.4729730 0.2730711 -0.0000000), wk = 0.0034130 k( 37) = ( 0.4864865 0.2808731 -0.0000000), wk = 0.0034130 k( 38) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034130 k( 39) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034130 k( 40) = ( 0.4920635 0.3024216 -0.0000000), wk = 0.0034130 k( 41) = ( 0.4841270 0.3161680 -0.0000000), wk = 0.0034130 k( 42) = ( 0.4761905 0.3299144 -0.0000000), wk = 0.0034130 k( 43) = ( 0.4682540 0.3436609 -0.0000000), wk = 0.0034130 k( 44) = ( 0.4603175 0.3574073 -0.0000000), wk = 0.0034130 k( 45) = ( 0.4523810 0.3711537 -0.0000000), wk = 0.0034130 k( 46) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0034130 k( 47) = ( 0.4365079 0.3986466 -0.0000000), wk = 0.0034130 k( 48) = ( 0.4285714 0.4123930 -0.0000000), wk = 0.0034130 k( 49) = ( 0.4206349 0.4261395 -0.0000000), wk = 0.0034130 k( 50) = ( 0.4126984 0.4398859 -0.0000000), wk = 0.0034130 k( 51) = ( 0.4047619 0.4536324 -0.0000000), wk = 0.0034130 k( 52) = ( 0.3968254 0.4673788 -0.0000000), wk = 0.0034130 k( 53) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0034130 k( 54) = ( 0.3809524 0.4948717 -0.0000000), wk = 0.0034130 k( 55) = ( 0.3730159 0.5086181 -0.0000000), wk = 0.0034130 k( 56) = ( 0.3650794 0.5223645 -0.0000000), wk = 0.0034130 k( 57) = ( 0.3571429 0.5361110 -0.0000000), wk = 0.0034130 k( 58) = ( 0.3492063 0.5498574 -0.0000000), wk = 0.0034130 k( 59) = ( 0.3412698 0.5636038 -0.0000000), wk = 0.0034130 k( 60) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034130 k( 61) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034130 k( 62) = ( 0.3253968 0.5636038 -0.0000000), wk = 0.0034130 k( 63) = ( 0.3174603 0.5498574 -0.0000000), wk = 0.0034130 k( 64) = ( 0.3095238 0.5361110 -0.0000000), wk = 0.0034130 k( 65) = ( 0.3015873 0.5223645 -0.0000000), wk = 0.0034130 k( 66) = ( 0.2936508 0.5086181 -0.0000000), wk = 0.0034130 k( 67) = ( 0.2857143 0.4948717 -0.0000000), wk = 0.0034130 k( 68) = ( 0.2777778 0.4811252 -0.0000000), wk = 0.0034130 k( 69) = ( 0.2698413 0.4673788 -0.0000000), wk = 0.0034130 k( 70) = ( 0.2619048 0.4536324 -0.0000000), wk = 0.0034130 k( 71) = ( 0.2539683 0.4398859 -0.0000000), wk = 0.0034130 k( 72) = ( 0.2460317 0.4261395 -0.0000000), wk = 0.0034130 k( 73) = ( 0.2380952 0.4123931 -0.0000000), wk = 0.0034130 k( 74) = ( 0.2301587 0.3986466 -0.0000000), wk = 0.0034130 k( 75) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0034130 k( 76) = ( 0.2142857 0.3711537 -0.0000000), wk = 0.0034130 k( 77) = ( 0.2063492 0.3574073 -0.0000000), wk = 0.0034130 k( 78) = ( 0.1984127 0.3436609 -0.0000000), wk = 0.0034130 k( 79) = ( 0.1904762 0.3299144 -0.0000000), wk = 0.0034130 k( 80) = ( 0.1825397 0.3161680 -0.0000000), wk = 0.0034130 k( 81) = ( 0.1746032 0.3024216 -0.0000000), wk = 0.0034130 k( 82) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0034130 k( 83) = ( 0.1587302 0.2749287 -0.0000000), wk = 0.0034130 k( 84) = ( 0.1507937 0.2611823 -0.0000000), wk = 0.0034130 k( 85) = ( 0.1428571 0.2474358 -0.0000000), wk = 0.0034130 k( 86) = ( 0.1349206 0.2336894 -0.0000000), wk = 0.0034130 k( 87) = ( 0.1269841 0.2199430 -0.0000000), wk = 0.0034130 k( 88) = ( 0.1190476 0.2061965 -0.0000000), wk = 0.0034130 k( 89) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0034130 k( 90) = ( 0.1031746 0.1787036 -0.0000000), wk = 0.0034130 k( 91) = ( 0.0952381 0.1649572 -0.0000000), wk = 0.0034130 k( 92) = ( 0.0873016 0.1512108 -0.0000000), wk = 0.0034130 k( 93) = ( 0.0793651 0.1374644 -0.0000000), wk = 0.0034130 k( 94) = ( 0.0714286 0.1237179 -0.0000000), wk = 0.0034130 k( 95) = ( 0.0634921 0.1099715 -0.0000000), wk = 0.0034130 k( 96) = ( 0.0555556 0.0962251 -0.0000000), wk = 0.0034130 k( 97) = ( 0.0476191 0.0824786 -0.0000000), wk = 0.0034130 k( 98) = ( 0.0396825 0.0687322 -0.0000000), wk = 0.0034130 k( 99) = ( 0.0317460 0.0549857 -0.0000000), wk = 0.0034130 k( 100) = ( 0.0238095 0.0412393 -0.0000000), wk = 0.0034130 k( 101) = ( 0.0158730 0.0274929 -0.0000000), wk = 0.0034130 k( 102) = ( 0.0079365 0.0137464 -0.0000000), wk = 0.0034130 k( 103) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034130 k( 104) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034130 k( 105) = ( 0.0000000 0.0000000 0.0157561), wk = 0.0034130 k( 106) = ( 0.0000000 0.0000000 0.0315122), wk = 0.0034130 k( 107) = ( 0.0000000 0.0000000 0.0472684), wk = 0.0034130 k( 108) = ( 0.0000000 0.0000000 0.0630245), wk = 0.0034130 k( 109) = ( 0.0000000 0.0000000 0.0787806), wk = 0.0034130 k( 110) = ( 0.0000000 0.0000000 0.0945367), wk = 0.0034130 k( 111) = ( 0.0000000 0.0000000 0.1102928), wk = 0.0034130 k( 112) = ( 0.0000000 0.0000000 0.1260489), wk = 0.0034130 k( 113) = ( 0.0000000 0.0000000 0.1418051), wk = 0.0034130 k( 114) = ( 0.0000000 0.0000000 0.1575612), wk = 0.0034130 k( 115) = ( 0.0000000 0.0000000 0.1733173), wk = 0.0034130 k( 116) = ( 0.0000000 0.0000000 0.1890734), wk = 0.0034130 k( 117) = ( 0.0000000 0.0000000 0.2048295), wk = 0.0034130 k( 118) = ( 0.0000000 0.0000000 0.2205856), wk = 0.0034130 k( 119) = ( 0.0000000 0.0000000 0.2363417), wk = 0.0034130 k( 120) = ( 0.0000000 0.0000000 0.2520979), wk = 0.0034130 k( 121) = ( 0.0000000 0.0000000 0.2678540), wk = 0.0034130 k( 122) = ( 0.0000000 0.0000000 0.2836101), wk = 0.0034130 k( 123) = ( 0.0000000 0.0000000 0.2993662), wk = 0.0034130 k( 124) = ( 0.0000000 0.0000000 0.3151223), wk = 0.0034130 k( 125) = ( 0.0000000 0.0000000 0.3308785), wk = 0.0034130 k( 126) = ( 0.0000000 0.0000000 0.3466346), wk = 0.0034130 k( 127) = ( 0.0000000 0.0000000 0.3623907), wk = 0.0034130 k( 128) = ( 0.0000000 0.0000000 0.3781468), wk = 0.0034130 k( 129) = ( 0.0000000 0.0000000 0.3939029), wk = 0.0034130 k( 130) = ( 0.0000000 0.0000000 0.4096590), wk = 0.0034130 k( 131) = ( 0.0000000 0.0000000 0.4254152), wk = 0.0034130 k( 132) = ( 0.0000000 0.0000000 0.4411713), wk = 0.0034130 k( 133) = ( 0.0000000 0.0000000 0.4411713), wk = 0.0034130 k( 134) = ( 0.0135135 0.0078020 0.4411713), wk = 0.0034130 k( 135) = ( 0.0270270 0.0156041 0.4411713), wk = 0.0034130 k( 136) = ( 0.0405405 0.0234061 0.4411713), wk = 0.0034130 k( 137) = ( 0.0540540 0.0312081 0.4411713), wk = 0.0034130 k( 138) = ( 0.0675676 0.0390102 0.4411713), wk = 0.0034130 k( 139) = ( 0.0810811 0.0468122 0.4411713), wk = 0.0034130 k( 140) = ( 0.0945946 0.0546142 0.4411713), wk = 0.0034130 k( 141) = ( 0.1081081 0.0624162 0.4411713), wk = 0.0034130 k( 142) = ( 0.1216216 0.0702183 0.4411713), wk = 0.0034130 k( 143) = ( 0.1351351 0.0780203 0.4411713), wk = 0.0034130 k( 144) = ( 0.1486486 0.0858223 0.4411713), wk = 0.0034130 k( 145) = ( 0.1621622 0.0936244 0.4411713), wk = 0.0034130 k( 146) = ( 0.1756757 0.1014264 0.4411713), wk = 0.0034130 k( 147) = ( 0.1891892 0.1092284 0.4411713), wk = 0.0034130 k( 148) = ( 0.2027027 0.1170305 0.4411713), wk = 0.0034130 k( 149) = ( 0.2162162 0.1248325 0.4411713), wk = 0.0034130 k( 150) = ( 0.2297297 0.1326345 0.4411713), wk = 0.0034130 k( 151) = ( 0.2432432 0.1404366 0.4411713), wk = 0.0034130 k( 152) = ( 0.2567568 0.1482386 0.4411713), wk = 0.0034130 k( 153) = ( 0.2702703 0.1560406 0.4411713), wk = 0.0034130 k( 154) = ( 0.2837838 0.1638426 0.4411713), wk = 0.0034130 k( 155) = ( 0.2972973 0.1716447 0.4411713), wk = 0.0034130 k( 156) = ( 0.3108108 0.1794467 0.4411713), wk = 0.0034130 k( 157) = ( 0.3243243 0.1872487 0.4411713), wk = 0.0034130 k( 158) = ( 0.3378378 0.1950508 0.4411713), wk = 0.0034130 k( 159) = ( 0.3513514 0.2028528 0.4411713), wk = 0.0034130 k( 160) = ( 0.3648649 0.2106548 0.4411713), wk = 0.0034130 k( 161) = ( 0.3783784 0.2184569 0.4411713), wk = 0.0034130 k( 162) = ( 0.3918919 0.2262589 0.4411713), wk = 0.0034130 k( 163) = ( 0.4054054 0.2340609 0.4411713), wk = 0.0034130 k( 164) = ( 0.4189189 0.2418630 0.4411713), wk = 0.0034130 k( 165) = ( 0.4324324 0.2496650 0.4411713), wk = 0.0034130 k( 166) = ( 0.4459459 0.2574670 0.4411713), wk = 0.0034130 k( 167) = ( 0.4594595 0.2652690 0.4411713), wk = 0.0034130 k( 168) = ( 0.4729730 0.2730711 0.4411713), wk = 0.0034130 k( 169) = ( 0.4864865 0.2808731 0.4411713), wk = 0.0034130 k( 170) = ( 0.5000000 0.2886751 0.4411713), wk = 0.0034130 k( 171) = ( 0.5000000 0.2886751 0.4411713), wk = 0.0034130 k( 172) = ( 0.4920635 0.3024216 0.4411713), wk = 0.0034130 k( 173) = ( 0.4841270 0.3161680 0.4411713), wk = 0.0034130 k( 174) = ( 0.4761905 0.3299144 0.4411713), wk = 0.0034130 k( 175) = ( 0.4682540 0.3436609 0.4411713), wk = 0.0034130 k( 176) = ( 0.4603175 0.3574073 0.4411713), wk = 0.0034130 k( 177) = ( 0.4523810 0.3711537 0.4411713), wk = 0.0034130 k( 178) = ( 0.4444444 0.3849002 0.4411713), wk = 0.0034130 k( 179) = ( 0.4365079 0.3986466 0.4411713), wk = 0.0034130 k( 180) = ( 0.4285714 0.4123930 0.4411713), wk = 0.0034130 k( 181) = ( 0.4206349 0.4261395 0.4411713), wk = 0.0034130 k( 182) = ( 0.4126984 0.4398859 0.4411713), wk = 0.0034130 k( 183) = ( 0.4047619 0.4536324 0.4411713), wk = 0.0034130 k( 184) = ( 0.3968254 0.4673788 0.4411713), wk = 0.0034130 k( 185) = ( 0.3888889 0.4811252 0.4411713), wk = 0.0034130 k( 186) = ( 0.3809524 0.4948717 0.4411713), wk = 0.0034130 k( 187) = ( 0.3730159 0.5086181 0.4411713), wk = 0.0034130 k( 188) = ( 0.3650794 0.5223645 0.4411713), wk = 0.0034130 k( 189) = ( 0.3571429 0.5361110 0.4411713), wk = 0.0034130 k( 190) = ( 0.3492063 0.5498574 0.4411713), wk = 0.0034130 k( 191) = ( 0.3412698 0.5636038 0.4411713), wk = 0.0034130 k( 192) = ( 0.3333333 0.5773503 0.4411713), wk = 0.0034130 k( 193) = ( 0.3333333 0.5773503 0.4411713), wk = 0.0034130 k( 194) = ( 0.3253968 0.5636038 0.4411713), wk = 0.0034130 k( 195) = ( 0.3174603 0.5498574 0.4411713), wk = 0.0034130 k( 196) = ( 0.3095238 0.5361110 0.4411713), wk = 0.0034130 k( 197) = ( 0.3015873 0.5223645 0.4411713), wk = 0.0034130 k( 198) = ( 0.2936508 0.5086181 0.4411713), wk = 0.0034130 k( 199) = ( 0.2857143 0.4948717 0.4411713), wk = 0.0034130 k( 200) = ( 0.2777778 0.4811252 0.4411713), wk = 0.0034130 k( 201) = ( 0.2698413 0.4673788 0.4411713), wk = 0.0034130 k( 202) = ( 0.2619048 0.4536324 0.4411713), wk = 0.0034130 k( 203) = ( 0.2539683 0.4398859 0.4411713), wk = 0.0034130 k( 204) = ( 0.2460317 0.4261395 0.4411713), wk = 0.0034130 k( 205) = ( 0.2380952 0.4123931 0.4411713), wk = 0.0034130 k( 206) = ( 0.2301587 0.3986466 0.4411713), wk = 0.0034130 k( 207) = ( 0.2222222 0.3849002 0.4411713), wk = 0.0034130 k( 208) = ( 0.2142857 0.3711537 0.4411713), wk = 0.0034130 k( 209) = ( 0.2063492 0.3574073 0.4411713), wk = 0.0034130 k( 210) = ( 0.1984127 0.3436609 0.4411713), wk = 0.0034130 k( 211) = ( 0.1904762 0.3299144 0.4411713), wk = 0.0034130 k( 212) = ( 0.1825397 0.3161680 0.4411713), wk = 0.0034130 k( 213) = ( 0.1746032 0.3024216 0.4411713), wk = 0.0034130 k( 214) = ( 0.1666667 0.2886751 0.4411713), wk = 0.0034130 k( 215) = ( 0.1587302 0.2749287 0.4411713), wk = 0.0034130 k( 216) = ( 0.1507937 0.2611823 0.4411713), wk = 0.0034130 k( 217) = ( 0.1428571 0.2474358 0.4411713), wk = 0.0034130 k( 218) = ( 0.1349206 0.2336894 0.4411713), wk = 0.0034130 k( 219) = ( 0.1269841 0.2199430 0.4411713), wk = 0.0034130 k( 220) = ( 0.1190476 0.2061965 0.4411713), wk = 0.0034130 k( 221) = ( 0.1111111 0.1924501 0.4411713), wk = 0.0034130 k( 222) = ( 0.1031746 0.1787036 0.4411713), wk = 0.0034130 k( 223) = ( 0.0952381 0.1649572 0.4411713), wk = 0.0034130 k( 224) = ( 0.0873016 0.1512108 0.4411713), wk = 0.0034130 k( 225) = ( 0.0793651 0.1374644 0.4411713), wk = 0.0034130 k( 226) = ( 0.0714286 0.1237179 0.4411713), wk = 0.0034130 k( 227) = ( 0.0634921 0.1099715 0.4411713), wk = 0.0034130 k( 228) = ( 0.0555556 0.0962251 0.4411713), wk = 0.0034130 k( 229) = ( 0.0476191 0.0824786 0.4411713), wk = 0.0034130 k( 230) = ( 0.0396825 0.0687322 0.4411713), wk = 0.0034130 k( 231) = ( 0.0317460 0.0549857 0.4411713), wk = 0.0034130 k( 232) = ( 0.0238095 0.0412393 0.4411713), wk = 0.0034130 k( 233) = ( 0.0158730 0.0274929 0.4411713), wk = 0.0034130 k( 234) = ( 0.0079365 0.0137464 0.4411713), wk = 0.0034130 k( 235) = ( 0.0000000 0.0000000 0.4411713), wk = 0.0034130 k( 236) = ( 0.5000000 0.2886751 0.4411713), wk = 0.0034130 k( 237) = ( 0.5000000 0.2886751 0.4254152), wk = 0.0034130 k( 238) = ( 0.5000000 0.2886751 0.4096590), wk = 0.0034130 k( 239) = ( 0.5000000 0.2886751 0.3939029), wk = 0.0034130 k( 240) = ( 0.5000000 0.2886751 0.3781468), wk = 0.0034130 k( 241) = ( 0.5000000 0.2886751 0.3623907), wk = 0.0034130 k( 242) = ( 0.5000000 0.2886751 0.3466346), wk = 0.0034130 k( 243) = ( 0.5000000 0.2886751 0.3308785), wk = 0.0034130 k( 244) = ( 0.5000000 0.2886751 0.3151223), wk = 0.0034130 k( 245) = ( 0.5000000 0.2886751 0.2993662), wk = 0.0034130 k( 246) = ( 0.5000000 0.2886751 0.2836101), wk = 0.0034130 k( 247) = ( 0.5000000 0.2886751 0.2678540), wk = 0.0034130 k( 248) = ( 0.5000000 0.2886751 0.2520979), wk = 0.0034130 k( 249) = ( 0.5000000 0.2886751 0.2363417), wk = 0.0034130 k( 250) = ( 0.5000000 0.2886751 0.2205856), wk = 0.0034130 k( 251) = ( 0.5000000 0.2886751 0.2048295), wk = 0.0034130 k( 252) = ( 0.5000000 0.2886751 0.1890734), wk = 0.0034130 k( 253) = ( 0.5000000 0.2886751 0.1733173), wk = 0.0034130 k( 254) = ( 0.5000000 0.2886751 0.1575612), wk = 0.0034130 k( 255) = ( 0.5000000 0.2886751 0.1418051), wk = 0.0034130 k( 256) = ( 0.5000000 0.2886751 0.1260489), wk = 0.0034130 k( 257) = ( 0.5000000 0.2886751 0.1102928), wk = 0.0034130 k( 258) = ( 0.5000000 0.2886751 0.0945367), wk = 0.0034130 k( 259) = ( 0.5000000 0.2886751 0.0787806), wk = 0.0034130 k( 260) = ( 0.5000000 0.2886751 0.0630245), wk = 0.0034130 k( 261) = ( 0.5000000 0.2886751 0.0472684), wk = 0.0034130 k( 262) = ( 0.5000000 0.2886751 0.0315122), wk = 0.0034130 k( 263) = ( 0.5000000 0.2886751 0.0157561), wk = 0.0034130 k( 264) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034130 k( 265) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034130 k( 266) = ( 0.3333333 0.5773503 0.0157561), wk = 0.0034130 k( 267) = ( 0.3333333 0.5773503 0.0315122), wk = 0.0034130 k( 268) = ( 0.3333333 0.5773503 0.0472684), wk = 0.0034130 k( 269) = ( 0.3333333 0.5773503 0.0630245), wk = 0.0034130 k( 270) = ( 0.3333333 0.5773503 0.0787806), wk = 0.0034130 k( 271) = ( 0.3333333 0.5773503 0.0945367), wk = 0.0034130 k( 272) = ( 0.3333333 0.5773503 0.1102928), wk = 0.0034130 k( 273) = ( 0.3333333 0.5773503 0.1260489), wk = 0.0034130 k( 274) = ( 0.3333333 0.5773503 0.1418051), wk = 0.0034130 k( 275) = ( 0.3333333 0.5773503 0.1575612), wk = 0.0034130 k( 276) = ( 0.3333333 0.5773503 0.1733173), wk = 0.0034130 k( 277) = ( 0.3333333 0.5773503 0.1890734), wk = 0.0034130 k( 278) = ( 0.3333333 0.5773503 0.2048295), wk = 0.0034130 k( 279) = ( 0.3333333 0.5773503 0.2205856), wk = 0.0034130 k( 280) = ( 0.3333333 0.5773503 0.2363417), wk = 0.0034130 k( 281) = ( 0.3333333 0.5773503 0.2520979), wk = 0.0034130 k( 282) = ( 0.3333333 0.5773503 0.2678540), wk = 0.0034130 k( 283) = ( 0.3333333 0.5773503 0.2836101), wk = 0.0034130 k( 284) = ( 0.3333333 0.5773503 0.2993662), wk = 0.0034130 k( 285) = ( 0.3333333 0.5773503 0.3151223), wk = 0.0034130 k( 286) = ( 0.3333333 0.5773503 0.3308785), wk = 0.0034130 k( 287) = ( 0.3333333 0.5773503 0.3466346), wk = 0.0034130 k( 288) = ( 0.3333333 0.5773503 0.3623907), wk = 0.0034130 k( 289) = ( 0.3333333 0.5773503 0.3781468), wk = 0.0034130 k( 290) = ( 0.3333333 0.5773503 0.3939029), wk = 0.0034130 k( 291) = ( 0.3333333 0.5773503 0.4096590), wk = 0.0034130 k( 292) = ( 0.3333333 0.5773503 0.4254152), wk = 0.0034130 k( 293) = ( 0.3333333 0.5773503 0.4411713), wk = 0.0034130 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034130 k( 2) = ( 0.0135135 -0.0000000 -0.0000000), wk = 0.0034130 k( 3) = ( 0.0270270 0.0000000 -0.0000000), wk = 0.0034130 k( 4) = ( 0.0405405 -0.0000000 -0.0000000), wk = 0.0034130 k( 5) = ( 0.0540540 0.0000000 0.0000000), wk = 0.0034130 k( 6) = ( 0.0675676 0.0000000 0.0000000), wk = 0.0034130 k( 7) = ( 0.0810811 -0.0000000 -0.0000000), wk = 0.0034130 k( 8) = ( 0.0945946 -0.0000000 -0.0000000), wk = 0.0034130 k( 9) = ( 0.1081081 0.0000000 0.0000000), wk = 0.0034130 k( 10) = ( 0.1216216 -0.0000000 -0.0000000), wk = 0.0034130 k( 11) = ( 0.1351351 0.0000000 0.0000000), wk = 0.0034130 k( 12) = ( 0.1486486 0.0000000 0.0000000), wk = 0.0034130 k( 13) = ( 0.1621622 -0.0000000 -0.0000000), wk = 0.0034130 k( 14) = ( 0.1756757 -0.0000000 -0.0000000), wk = 0.0034130 k( 15) = ( 0.1891892 -0.0000000 -0.0000000), wk = 0.0034130 k( 16) = ( 0.2027027 -0.0000000 0.0000000), wk = 0.0034130 k( 17) = ( 0.2162162 0.0000000 0.0000000), wk = 0.0034130 k( 18) = ( 0.2297297 -0.0000000 -0.0000000), wk = 0.0034130 k( 19) = ( 0.2432432 -0.0000000 -0.0000000), wk = 0.0034130 k( 20) = ( 0.2567568 0.0000000 0.0000000), wk = 0.0034130 k( 21) = ( 0.2702703 0.0000000 0.0000000), wk = 0.0034130 k( 22) = ( 0.2837838 -0.0000000 0.0000000), wk = 0.0034130 k( 23) = ( 0.2972973 0.0000000 0.0000000), wk = 0.0034130 k( 24) = ( 0.3108108 -0.0000000 -0.0000000), wk = 0.0034130 k( 25) = ( 0.3243243 -0.0000000 -0.0000000), wk = 0.0034130 k( 26) = ( 0.3378378 -0.0000000 -0.0000000), wk = 0.0034130 k( 27) = ( 0.3513514 -0.0000000 -0.0000000), wk = 0.0034130 k( 28) = ( 0.3648649 -0.0000000 -0.0000000), wk = 0.0034130 k( 29) = ( 0.3783784 -0.0000000 -0.0000000), wk = 0.0034130 k( 30) = ( 0.3918919 -0.0000000 -0.0000000), wk = 0.0034130 k( 31) = ( 0.4054054 -0.0000000 -0.0000000), wk = 0.0034130 k( 32) = ( 0.4189189 -0.0000000 0.0000000), wk = 0.0034130 k( 33) = ( 0.4324324 -0.0000000 -0.0000000), wk = 0.0034130 k( 34) = ( 0.4459459 0.0000000 -0.0000000), wk = 0.0034130 k( 35) = ( 0.4594595 -0.0000000 -0.0000000), wk = 0.0034130 k( 36) = ( 0.4729730 0.0000000 0.0000000), wk = 0.0034130 k( 37) = ( 0.4864865 -0.0000000 -0.0000000), wk = 0.0034130 k( 38) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0034130 k( 39) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0034130 k( 40) = ( 0.4920635 0.0158730 0.0000000), wk = 0.0034130 k( 41) = ( 0.4841270 0.0317460 -0.0000000), wk = 0.0034130 k( 42) = ( 0.4761905 0.0476190 0.0000000), wk = 0.0034130 k( 43) = ( 0.4682540 0.0634921 0.0000000), wk = 0.0034130 k( 44) = ( 0.4603175 0.0793651 0.0000000), wk = 0.0034130 k( 45) = ( 0.4523810 0.0952381 0.0000000), wk = 0.0034130 k( 46) = ( 0.4444444 0.1111111 -0.0000000), wk = 0.0034130 k( 47) = ( 0.4365079 0.1269841 -0.0000000), wk = 0.0034130 k( 48) = ( 0.4285714 0.1428571 0.0000000), wk = 0.0034130 k( 49) = ( 0.4206349 0.1587302 -0.0000000), wk = 0.0034130 k( 50) = ( 0.4126984 0.1746032 -0.0000000), wk = 0.0034130 k( 51) = ( 0.4047619 0.1904762 0.0000000), wk = 0.0034130 k( 52) = ( 0.3968254 0.2063492 -0.0000000), wk = 0.0034130 k( 53) = ( 0.3888889 0.2222222 -0.0000000), wk = 0.0034130 k( 54) = ( 0.3809524 0.2380952 0.0000000), wk = 0.0034130 k( 55) = ( 0.3730159 0.2539683 0.0000000), wk = 0.0034130 k( 56) = ( 0.3650794 0.2698413 -0.0000000), wk = 0.0034130 k( 57) = ( 0.3571429 0.2857143 0.0000000), wk = 0.0034130 k( 58) = ( 0.3492063 0.3015873 0.0000000), wk = 0.0034130 k( 59) = ( 0.3412698 0.3174603 -0.0000000), wk = 0.0034130 k( 60) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0034130 k( 61) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0034130 k( 62) = ( 0.3253968 0.3253968 0.0000000), wk = 0.0034130 k( 63) = ( 0.3174603 0.3174603 -0.0000000), wk = 0.0034130 k( 64) = ( 0.3095238 0.3095238 0.0000000), wk = 0.0034130 k( 65) = ( 0.3015873 0.3015873 0.0000000), wk = 0.0034130 k( 66) = ( 0.2936508 0.2936508 -0.0000000), wk = 0.0034130 k( 67) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0034130 k( 68) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0034130 k( 69) = ( 0.2698413 0.2698413 0.0000000), wk = 0.0034130 k( 70) = ( 0.2619048 0.2619048 -0.0000000), wk = 0.0034130 k( 71) = ( 0.2539683 0.2539683 0.0000000), wk = 0.0034130 k( 72) = ( 0.2460317 0.2460317 0.0000000), wk = 0.0034130 k( 73) = ( 0.2380952 0.2380952 0.0000000), wk = 0.0034130 k( 74) = ( 0.2301587 0.2301587 -0.0000000), wk = 0.0034130 k( 75) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0034130 k( 76) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0034130 k( 77) = ( 0.2063492 0.2063492 -0.0000000), wk = 0.0034130 k( 78) = ( 0.1984127 0.1984127 -0.0000000), wk = 0.0034130 k( 79) = ( 0.1904762 0.1904762 -0.0000000), wk = 0.0034130 k( 80) = ( 0.1825397 0.1825397 0.0000000), wk = 0.0034130 k( 81) = ( 0.1746032 0.1746032 -0.0000000), wk = 0.0034130 k( 82) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0034130 k( 83) = ( 0.1587302 0.1587302 -0.0000000), wk = 0.0034130 k( 84) = ( 0.1507937 0.1507937 0.0000000), wk = 0.0034130 k( 85) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0034130 k( 86) = ( 0.1349206 0.1349206 0.0000000), wk = 0.0034130 k( 87) = ( 0.1269841 0.1269841 -0.0000000), wk = 0.0034130 k( 88) = ( 0.1190476 0.1190476 0.0000000), wk = 0.0034130 k( 89) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0034130 k( 90) = ( 0.1031746 0.1031746 -0.0000000), wk = 0.0034130 k( 91) = ( 0.0952381 0.0952381 -0.0000000), wk = 0.0034130 k( 92) = ( 0.0873016 0.0873016 -0.0000000), wk = 0.0034130 k( 93) = ( 0.0793651 0.0793651 -0.0000000), wk = 0.0034130 k( 94) = ( 0.0714286 0.0714286 0.0000000), wk = 0.0034130 k( 95) = ( 0.0634921 0.0634921 0.0000000), wk = 0.0034130 k( 96) = ( 0.0555556 0.0555556 -0.0000000), wk = 0.0034130 k( 97) = ( 0.0476191 0.0476190 -0.0000000), wk = 0.0034130 k( 98) = ( 0.0396825 0.0396825 -0.0000000), wk = 0.0034130 k( 99) = ( 0.0317460 0.0317460 0.0000000), wk = 0.0034130 k( 100) = ( 0.0238095 0.0238095 -0.0000000), wk = 0.0034130 k( 101) = ( 0.0158730 0.0158730 0.0000000), wk = 0.0034130 k( 102) = ( 0.0079365 0.0079365 0.0000000), wk = 0.0034130 k( 103) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034130 k( 104) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034130 k( 105) = ( 0.0000000 0.0000000 0.0178571), wk = 0.0034130 k( 106) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0034130 k( 107) = ( 0.0000000 0.0000000 0.0535714), wk = 0.0034130 k( 108) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0034130 k( 109) = ( 0.0000000 0.0000000 0.0892857), wk = 0.0034130 k( 110) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0034130 k( 111) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0034130 k( 112) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0034130 k( 113) = ( 0.0000000 0.0000000 0.1607143), wk = 0.0034130 k( 114) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0034130 k( 115) = ( 0.0000000 0.0000000 0.1964286), wk = 0.0034130 k( 116) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0034130 k( 117) = ( 0.0000000 0.0000000 0.2321429), wk = 0.0034130 k( 118) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0034130 k( 119) = ( 0.0000000 0.0000000 0.2678571), wk = 0.0034130 k( 120) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0034130 k( 121) = ( 0.0000000 0.0000000 0.3035714), wk = 0.0034130 k( 122) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0034130 k( 123) = ( 0.0000000 0.0000000 0.3392857), wk = 0.0034130 k( 124) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0034130 k( 125) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0034130 k( 126) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0034130 k( 127) = ( 0.0000000 0.0000000 0.4107143), wk = 0.0034130 k( 128) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0034130 k( 129) = ( 0.0000000 0.0000000 0.4464286), wk = 0.0034130 k( 130) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0034130 k( 131) = ( 0.0000000 0.0000000 0.4821429), wk = 0.0034130 k( 132) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034130 k( 133) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034130 k( 134) = ( 0.0135135 -0.0000000 0.5000000), wk = 0.0034130 k( 135) = ( 0.0270270 0.0000000 0.5000000), wk = 0.0034130 k( 136) = ( 0.0405405 -0.0000000 0.5000000), wk = 0.0034130 k( 137) = ( 0.0540540 0.0000000 0.5000000), wk = 0.0034130 k( 138) = ( 0.0675676 0.0000000 0.5000000), wk = 0.0034130 k( 139) = ( 0.0810811 -0.0000000 0.5000000), wk = 0.0034130 k( 140) = ( 0.0945946 -0.0000000 0.5000000), wk = 0.0034130 k( 141) = ( 0.1081081 0.0000000 0.5000000), wk = 0.0034130 k( 142) = ( 0.1216216 -0.0000000 0.5000000), wk = 0.0034130 k( 143) = ( 0.1351351 0.0000000 0.5000000), wk = 0.0034130 k( 144) = ( 0.1486486 0.0000000 0.5000000), wk = 0.0034130 k( 145) = ( 0.1621622 -0.0000000 0.5000000), wk = 0.0034130 k( 146) = ( 0.1756757 -0.0000000 0.5000000), wk = 0.0034130 k( 147) = ( 0.1891892 -0.0000000 0.5000000), wk = 0.0034130 k( 148) = ( 0.2027027 -0.0000000 0.5000000), wk = 0.0034130 k( 149) = ( 0.2162162 0.0000000 0.5000000), wk = 0.0034130 k( 150) = ( 0.2297297 -0.0000000 0.5000000), wk = 0.0034130 k( 151) = ( 0.2432432 -0.0000000 0.5000000), wk = 0.0034130 k( 152) = ( 0.2567568 0.0000000 0.5000000), wk = 0.0034130 k( 153) = ( 0.2702703 0.0000000 0.5000000), wk = 0.0034130 k( 154) = ( 0.2837838 -0.0000000 0.5000000), wk = 0.0034130 k( 155) = ( 0.2972973 0.0000000 0.5000000), wk = 0.0034130 k( 156) = ( 0.3108108 -0.0000000 0.5000000), wk = 0.0034130 k( 157) = ( 0.3243243 -0.0000000 0.5000000), wk = 0.0034130 k( 158) = ( 0.3378378 -0.0000000 0.5000000), wk = 0.0034130 k( 159) = ( 0.3513514 -0.0000000 0.5000000), wk = 0.0034130 k( 160) = ( 0.3648649 -0.0000000 0.5000000), wk = 0.0034130 k( 161) = ( 0.3783784 -0.0000000 0.5000000), wk = 0.0034130 k( 162) = ( 0.3918919 -0.0000000 0.5000000), wk = 0.0034130 k( 163) = ( 0.4054054 -0.0000000 0.5000000), wk = 0.0034130 k( 164) = ( 0.4189189 -0.0000000 0.5000000), wk = 0.0034130 k( 165) = ( 0.4324324 -0.0000000 0.5000000), wk = 0.0034130 k( 166) = ( 0.4459459 0.0000000 0.5000000), wk = 0.0034130 k( 167) = ( 0.4594595 -0.0000000 0.5000000), wk = 0.0034130 k( 168) = ( 0.4729730 0.0000000 0.5000000), wk = 0.0034130 k( 169) = ( 0.4864865 -0.0000000 0.5000000), wk = 0.0034130 k( 170) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0034130 k( 171) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0034130 k( 172) = ( 0.4920635 0.0158730 0.5000000), wk = 0.0034130 k( 173) = ( 0.4841270 0.0317460 0.5000000), wk = 0.0034130 k( 174) = ( 0.4761905 0.0476190 0.5000000), wk = 0.0034130 k( 175) = ( 0.4682540 0.0634921 0.5000000), wk = 0.0034130 k( 176) = ( 0.4603175 0.0793651 0.5000000), wk = 0.0034130 k( 177) = ( 0.4523810 0.0952381 0.5000000), wk = 0.0034130 k( 178) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0034130 k( 179) = ( 0.4365079 0.1269841 0.5000000), wk = 0.0034130 k( 180) = ( 0.4285714 0.1428571 0.5000000), wk = 0.0034130 k( 181) = ( 0.4206349 0.1587302 0.5000000), wk = 0.0034130 k( 182) = ( 0.4126984 0.1746032 0.5000000), wk = 0.0034130 k( 183) = ( 0.4047619 0.1904762 0.5000000), wk = 0.0034130 k( 184) = ( 0.3968254 0.2063492 0.5000000), wk = 0.0034130 k( 185) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0034130 k( 186) = ( 0.3809524 0.2380952 0.5000000), wk = 0.0034130 k( 187) = ( 0.3730159 0.2539683 0.5000000), wk = 0.0034130 k( 188) = ( 0.3650794 0.2698413 0.5000000), wk = 0.0034130 k( 189) = ( 0.3571429 0.2857143 0.5000000), wk = 0.0034130 k( 190) = ( 0.3492063 0.3015873 0.5000000), wk = 0.0034130 k( 191) = ( 0.3412698 0.3174603 0.5000000), wk = 0.0034130 k( 192) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034130 k( 193) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034130 k( 194) = ( 0.3253968 0.3253968 0.5000000), wk = 0.0034130 k( 195) = ( 0.3174603 0.3174603 0.5000000), wk = 0.0034130 k( 196) = ( 0.3095238 0.3095238 0.5000000), wk = 0.0034130 k( 197) = ( 0.3015873 0.3015873 0.5000000), wk = 0.0034130 k( 198) = ( 0.2936508 0.2936508 0.5000000), wk = 0.0034130 k( 199) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0034130 k( 200) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0034130 k( 201) = ( 0.2698413 0.2698413 0.5000000), wk = 0.0034130 k( 202) = ( 0.2619048 0.2619048 0.5000000), wk = 0.0034130 k( 203) = ( 0.2539683 0.2539683 0.5000000), wk = 0.0034130 k( 204) = ( 0.2460317 0.2460317 0.5000000), wk = 0.0034130 k( 205) = ( 0.2380952 0.2380952 0.5000000), wk = 0.0034130 k( 206) = ( 0.2301587 0.2301587 0.5000000), wk = 0.0034130 k( 207) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0034130 k( 208) = ( 0.2142857 0.2142857 0.5000000), wk = 0.0034130 k( 209) = ( 0.2063492 0.2063492 0.5000000), wk = 0.0034130 k( 210) = ( 0.1984127 0.1984127 0.5000000), wk = 0.0034130 k( 211) = ( 0.1904762 0.1904762 0.5000000), wk = 0.0034130 k( 212) = ( 0.1825397 0.1825397 0.5000000), wk = 0.0034130 k( 213) = ( 0.1746032 0.1746032 0.5000000), wk = 0.0034130 k( 214) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0034130 k( 215) = ( 0.1587302 0.1587302 0.5000000), wk = 0.0034130 k( 216) = ( 0.1507937 0.1507937 0.5000000), wk = 0.0034130 k( 217) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0034130 k( 218) = ( 0.1349206 0.1349206 0.5000000), wk = 0.0034130 k( 219) = ( 0.1269841 0.1269841 0.5000000), wk = 0.0034130 k( 220) = ( 0.1190476 0.1190476 0.5000000), wk = 0.0034130 k( 221) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0034130 k( 222) = ( 0.1031746 0.1031746 0.5000000), wk = 0.0034130 k( 223) = ( 0.0952381 0.0952381 0.5000000), wk = 0.0034130 k( 224) = ( 0.0873016 0.0873016 0.5000000), wk = 0.0034130 k( 225) = ( 0.0793651 0.0793651 0.5000000), wk = 0.0034130 k( 226) = ( 0.0714286 0.0714286 0.5000000), wk = 0.0034130 k( 227) = ( 0.0634921 0.0634921 0.5000000), wk = 0.0034130 k( 228) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0034130 k( 229) = ( 0.0476191 0.0476190 0.5000000), wk = 0.0034130 k( 230) = ( 0.0396825 0.0396825 0.5000000), wk = 0.0034130 k( 231) = ( 0.0317460 0.0317460 0.5000000), wk = 0.0034130 k( 232) = ( 0.0238095 0.0238095 0.5000000), wk = 0.0034130 k( 233) = ( 0.0158730 0.0158730 0.5000000), wk = 0.0034130 k( 234) = ( 0.0079365 0.0079365 0.5000000), wk = 0.0034130 k( 235) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034130 k( 236) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0034130 k( 237) = ( 0.5000000 -0.0000000 0.4821429), wk = 0.0034130 k( 238) = ( 0.5000000 -0.0000000 0.4642857), wk = 0.0034130 k( 239) = ( 0.5000000 -0.0000000 0.4464286), wk = 0.0034130 k( 240) = ( 0.5000000 -0.0000000 0.4285714), wk = 0.0034130 k( 241) = ( 0.5000000 -0.0000000 0.4107143), wk = 0.0034130 k( 242) = ( 0.5000000 -0.0000000 0.3928571), wk = 0.0034130 k( 243) = ( 0.5000000 -0.0000000 0.3750000), wk = 0.0034130 k( 244) = ( 0.5000000 -0.0000000 0.3571429), wk = 0.0034130 k( 245) = ( 0.5000000 -0.0000000 0.3392857), wk = 0.0034130 k( 246) = ( 0.5000000 -0.0000000 0.3214286), wk = 0.0034130 k( 247) = ( 0.5000000 -0.0000000 0.3035714), wk = 0.0034130 k( 248) = ( 0.5000000 -0.0000000 0.2857143), wk = 0.0034130 k( 249) = ( 0.5000000 -0.0000000 0.2678571), wk = 0.0034130 k( 250) = ( 0.5000000 -0.0000000 0.2500000), wk = 0.0034130 k( 251) = ( 0.5000000 -0.0000000 0.2321429), wk = 0.0034130 k( 252) = ( 0.5000000 -0.0000000 0.2142857), wk = 0.0034130 k( 253) = ( 0.5000000 -0.0000000 0.1964286), wk = 0.0034130 k( 254) = ( 0.5000000 -0.0000000 0.1785714), wk = 0.0034130 k( 255) = ( 0.5000000 -0.0000000 0.1607143), wk = 0.0034130 k( 256) = ( 0.5000000 -0.0000000 0.1428571), wk = 0.0034130 k( 257) = ( 0.5000000 -0.0000000 0.1250000), wk = 0.0034130 k( 258) = ( 0.5000000 -0.0000000 0.1071429), wk = 0.0034130 k( 259) = ( 0.5000000 -0.0000000 0.0892857), wk = 0.0034130 k( 260) = ( 0.5000000 -0.0000000 0.0714286), wk = 0.0034130 k( 261) = ( 0.5000000 -0.0000000 0.0535714), wk = 0.0034130 k( 262) = ( 0.5000000 -0.0000000 0.0357143), wk = 0.0034130 k( 263) = ( 0.5000000 -0.0000000 0.0178571), wk = 0.0034130 k( 264) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0034130 k( 265) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0034130 k( 266) = ( 0.3333333 0.3333333 0.0178571), wk = 0.0034130 k( 267) = ( 0.3333333 0.3333333 0.0357143), wk = 0.0034130 k( 268) = ( 0.3333333 0.3333333 0.0535714), wk = 0.0034130 k( 269) = ( 0.3333333 0.3333333 0.0714286), wk = 0.0034130 k( 270) = ( 0.3333333 0.3333333 0.0892857), wk = 0.0034130 k( 271) = ( 0.3333333 0.3333333 0.1071429), wk = 0.0034130 k( 272) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0034130 k( 273) = ( 0.3333333 0.3333333 0.1428571), wk = 0.0034130 k( 274) = ( 0.3333333 0.3333333 0.1607143), wk = 0.0034130 k( 275) = ( 0.3333333 0.3333333 0.1785714), wk = 0.0034130 k( 276) = ( 0.3333333 0.3333333 0.1964286), wk = 0.0034130 k( 277) = ( 0.3333333 0.3333333 0.2142857), wk = 0.0034130 k( 278) = ( 0.3333333 0.3333333 0.2321429), wk = 0.0034130 k( 279) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0034130 k( 280) = ( 0.3333333 0.3333333 0.2678571), wk = 0.0034130 k( 281) = ( 0.3333333 0.3333333 0.2857143), wk = 0.0034130 k( 282) = ( 0.3333333 0.3333333 0.3035714), wk = 0.0034130 k( 283) = ( 0.3333333 0.3333333 0.3214286), wk = 0.0034130 k( 284) = ( 0.3333333 0.3333333 0.3392857), wk = 0.0034130 k( 285) = ( 0.3333333 0.3333333 0.3571429), wk = 0.0034130 k( 286) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0034130 k( 287) = ( 0.3333333 0.3333333 0.3928571), wk = 0.0034130 k( 288) = ( 0.3333333 0.3333333 0.4107143), wk = 0.0034130 k( 289) = ( 0.3333333 0.3333333 0.4285714), wk = 0.0034130 k( 290) = ( 0.3333333 0.3333333 0.4464286), wk = 0.0034130 k( 291) = ( 0.3333333 0.3333333 0.4642857), wk = 0.0034130 k( 292) = ( 0.3333333 0.3333333 0.4821429), wk = 0.0034130 k( 293) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034130 Dense grid: 80833 G-vectors FFT dimensions: ( 54, 54, 64) Smooth grid: 35741 G-vectors FFT dimensions: ( 45, 45, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.27 Mb ( 300, 58) NL pseudopotentials 0.29 Mb ( 150, 126) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.02 Mb ( 2525) G-vector shells 0.01 Mb ( 1188) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.06 Mb ( 300, 232) Each subspace H/S matrix 0.82 Mb ( 232, 232) Each matrix 0.22 Mb ( 126, 2, 58) The potential is recalculated from file : ./GeO2.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.3 secs Computing kpt #: 2 total cpu time spent up to now is 5.8 secs Computing kpt #: 3 total cpu time spent up to now is 7.2 secs Computing kpt #: 4 total cpu time spent up to now is 8.7 secs Computing kpt #: 5 total cpu time spent up to now is 10.2 secs Computing kpt #: 6 total cpu time spent up to now is 11.7 secs Computing kpt #: 7 total cpu time spent up to now is 13.2 secs Computing kpt #: 8 total cpu time spent up to now is 14.8 secs Computing kpt #: 9 total cpu time spent up to now is 16.3 secs Computing kpt #: 10 total cpu time spent up to now is 17.8 secs Computing kpt #: 11 total cpu time spent up to now is 19.3 secs Computing kpt #: 12 total cpu time spent up to now is 20.8 secs Computing kpt #: 13 total cpu time spent up to now is 22.3 secs Computing kpt #: 14 total cpu time spent up to now is 23.8 secs Computing kpt #: 15 total cpu time spent up to now is 25.3 secs Computing kpt #: 16 total cpu time spent up to now is 26.8 secs Computing kpt #: 17 total cpu time spent up to now is 28.3 secs Computing kpt #: 18 total cpu time spent up to now is 29.8 secs Computing kpt #: 19 total cpu time spent up to now is 31.3 secs Computing kpt #: 20 total cpu time spent up to now is 32.8 secs Computing kpt #: 21 total cpu time spent up to now is 34.4 secs Computing kpt #: 22 total cpu time spent up to now is 36.5 secs Computing kpt #: 23 total cpu time spent up to now is 38.1 secs Computing kpt #: 24 total cpu time spent up to now is 39.7 secs Computing kpt #: 25 total cpu time spent up to now is 41.3 secs Computing kpt #: 26 total cpu time spent up to now is 43.0 secs Computing kpt #: 27 total cpu time spent up to now is 44.6 secs Computing kpt #: 28 total cpu time spent up to now is 46.3 secs Computing kpt #: 29 total cpu time spent up to now is 48.1 secs Computing kpt #: 30 total cpu time spent up to now is 49.8 secs Computing kpt #: 31 total cpu time spent up to now is 51.5 secs Computing kpt #: 32 total cpu time spent up to now is 53.4 secs Computing kpt #: 33 total cpu time spent up to now is 55.2 secs Computing kpt #: 34 total cpu time spent up to now is 57.6 secs Computing kpt #: 35 total cpu time spent up to now is 60.0 secs Computing kpt #: 36 total cpu time spent up to now is 62.4 secs Computing kpt #: 37 total cpu time spent up to now is 64.7 secs Computing kpt #: 38 total cpu time spent up to now is 66.9 secs Computing kpt #: 39 total cpu time spent up to now is 69.2 secs Computing kpt #: 40 total cpu time spent up to now is 71.5 secs Computing kpt #: 41 total cpu time spent up to now is 73.8 secs Computing kpt #: 42 total cpu time spent up to now is 76.2 secs Computing kpt #: 43 total cpu time spent up to now is 78.6 secs Computing kpt #: 44 total cpu time spent up to now is 80.9 secs Computing kpt #: 45 total cpu time spent up to now is 83.2 secs Computing kpt #: 46 total cpu time spent up to now is 85.6 secs Computing kpt #: 47 total cpu time spent up to now is 87.9 secs Computing kpt #: 48 total cpu time spent up to now is 90.3 secs Computing kpt #: 49 total cpu time spent up to now is 92.7 secs Computing kpt #: 50 total cpu time spent up to now is 95.1 secs Computing kpt #: 51 total cpu time spent up to now is 97.6 secs Computing kpt #: 52 total cpu time spent up to now is 100.0 secs Computing kpt #: 53 total cpu time spent up to now is 102.0 secs Computing kpt #: 54 total cpu time spent up to now is 104.0 secs Computing kpt #: 55 total cpu time spent up to now is 106.0 secs Computing kpt #: 56 total cpu time spent up to now is 108.0 secs Computing kpt #: 57 total cpu time spent up to now is 109.9 secs Computing kpt #: 58 total cpu time spent up to now is 111.9 secs Computing kpt #: 59 total cpu time spent up to now is 113.9 secs Computing kpt #: 60 total cpu time spent up to now is 115.7 secs Computing kpt #: 61 total cpu time spent up to now is 117.5 secs Computing kpt #: 62 total cpu time spent up to now is 119.6 secs Computing kpt #: 63 total cpu time spent up to now is 121.6 secs Computing kpt #: 64 total cpu time spent up to now is 123.4 secs Computing kpt #: 65 total cpu time spent up to now is 125.2 secs Computing kpt #: 66 total cpu time spent up to now is 127.0 secs Computing kpt #: 67 total cpu time spent up to now is 128.7 secs Computing kpt #: 68 total cpu time spent up to now is 130.4 secs Computing kpt #: 69 total cpu time spent up to now is 132.1 secs Computing kpt #: 70 total cpu time spent up to now is 133.8 secs Computing kpt #: 71 total cpu time spent up to now is 135.5 secs Computing kpt #: 72 total cpu time spent up to now is 137.1 secs Computing kpt #: 73 total cpu time spent up to now is 138.8 secs Computing kpt #: 74 total cpu time spent up to now is 140.4 secs Computing kpt #: 75 total cpu time spent up to now is 141.9 secs Computing kpt #: 76 total cpu time spent up to now is 143.5 secs Computing kpt #: 77 total cpu time spent up to now is 145.1 secs Computing kpt #: 78 total cpu time spent up to now is 146.7 secs Computing kpt #: 79 total cpu time spent up to now is 148.2 secs Computing kpt #: 80 total cpu time spent up to now is 149.8 secs Computing kpt #: 81 total cpu time spent up to now is 151.3 secs Computing kpt #: 82 total cpu time spent up to now is 152.9 secs Computing kpt #: 83 total cpu time spent up to now is 154.4 secs Computing kpt #: 84 total cpu time spent up to now is 156.0 secs Computing kpt #: 85 total cpu time spent up to now is 157.6 secs Computing kpt #: 86 total cpu time spent up to now is 159.1 secs Computing kpt #: 87 total cpu time spent up to now is 160.7 secs Computing kpt #: 88 total cpu time spent up to now is 162.2 secs Computing kpt #: 89 total cpu time spent up to now is 163.8 secs Computing kpt #: 90 total cpu time spent up to now is 165.3 secs Computing kpt #: 91 total cpu time spent up to now is 166.9 secs Computing kpt #: 92 total cpu time spent up to now is 168.4 secs Computing kpt #: 93 total cpu time spent up to now is 169.9 secs Computing kpt #: 94 total cpu time spent up to now is 171.4 secs Computing kpt #: 95 total cpu time spent up to now is 172.9 secs Computing kpt #: 96 total cpu time spent up to now is 174.4 secs Computing kpt #: 97 total cpu time spent up to now is 175.9 secs Computing kpt #: 98 total cpu time spent up to now is 177.4 secs Computing kpt #: 99 total cpu time spent up to now is 178.8 secs Computing kpt #: 100 total cpu time spent up to now is 180.3 secs Computing kpt #: 101 total cpu time spent up to now is 181.8 secs Computing kpt #: 102 total cpu time spent up to now is 183.2 secs Computing kpt #: 103 total cpu time spent up to now is 184.6 secs Computing kpt #: 104 total cpu time spent up to now is 186.1 secs Computing kpt #: 105 total cpu time spent up to now is 187.5 secs Computing kpt #: 106 total cpu time spent up to now is 189.0 secs Computing kpt #: 107 total cpu time spent up to now is 190.5 secs Computing kpt #: 108 total cpu time spent up to now is 192.1 secs Computing kpt #: 109 total cpu time spent up to now is 193.6 secs Computing kpt #: 110 total cpu time spent up to now is 195.3 secs Computing kpt #: 111 total cpu time spent up to now is 197.0 secs Computing kpt #: 112 total cpu time spent up to now is 198.7 secs Computing kpt #: 113 total cpu time spent up to now is 200.7 secs Computing kpt #: 114 total cpu time spent up to now is 202.8 secs Computing kpt #: 115 total cpu time spent up to now is 205.5 secs Computing kpt #: 116 total cpu time spent up to now is 207.9 secs Computing kpt #: 117 total cpu time spent up to now is 210.4 secs Computing kpt #: 118 total cpu time spent up to now is 215.3 secs Computing kpt #: 119 total cpu time spent up to now is 217.1 secs Computing kpt #: 120 total cpu time spent up to now is 218.8 secs Computing kpt #: 121 total cpu time spent up to now is 220.5 secs Computing kpt #: 122 total cpu time spent up to now is 222.2 secs Computing kpt #: 123 total cpu time spent up to now is 223.9 secs Computing kpt #: 124 total cpu time spent up to now is 225.5 secs Computing kpt #: 125 total cpu time spent up to now is 227.3 secs Computing kpt #: 126 total cpu time spent up to now is 229.0 secs Computing kpt #: 127 total cpu time spent up to now is 230.7 secs Computing kpt #: 128 total cpu time spent up to now is 232.4 secs Computing kpt #: 129 total cpu time spent up to now is 234.1 secs Computing kpt #: 130 total cpu time spent up to now is 235.9 secs Computing kpt #: 131 total cpu time spent up to now is 237.7 secs Computing kpt #: 132 total cpu time spent up to now is 239.3 secs Computing kpt #: 133 total cpu time spent up to now is 241.1 secs Computing kpt #: 134 total cpu time spent up to now is 242.8 secs Computing kpt #: 135 total cpu time spent up to now is 244.5 secs Computing kpt #: 136 total cpu time spent up to now is 246.3 secs Computing kpt #: 137 total cpu time spent up to now is 248.0 secs Computing kpt #: 138 total cpu time spent up to now is 249.8 secs Computing kpt #: 139 total cpu time spent up to now is 251.6 secs Computing kpt #: 140 total cpu time spent up to now is 253.4 secs Computing kpt #: 141 total cpu time spent up to now is 255.2 secs Computing kpt #: 142 total cpu time spent up to now is 257.0 secs Computing kpt #: 143 total cpu time spent up to now is 259.0 secs Computing kpt #: 144 total cpu time spent up to now is 260.8 secs Computing kpt #: 145 total cpu time spent up to now is 262.9 secs Computing kpt #: 146 total cpu time spent up to now is 265.0 secs Computing kpt #: 147 total cpu time spent up to now is 266.9 secs Computing kpt #: 148 total cpu time spent up to now is 268.7 secs Computing kpt #: 149 total cpu time spent up to now is 270.6 secs Computing kpt #: 150 total cpu time spent up to now is 272.4 secs Computing kpt #: 151 total cpu time spent up to now is 274.3 secs Computing kpt #: 152 total cpu time spent up to now is 276.2 secs Computing kpt #: 153 total cpu time spent up to now is 278.1 secs Computing kpt #: 154 total cpu time spent up to now is 279.9 secs Computing kpt #: 155 total cpu time spent up to now is 281.7 secs Computing kpt #: 156 total cpu time spent up to now is 283.5 secs Computing kpt #: 157 total cpu time spent up to now is 285.4 secs Computing kpt #: 158 total cpu time spent up to now is 287.5 secs Computing kpt #: 159 total cpu time spent up to now is 289.3 secs Computing kpt #: 160 total cpu time spent up to now is 291.1 secs Computing kpt #: 161 total cpu time spent up to now is 292.9 secs Computing kpt #: 162 total cpu time spent up to now is 294.7 secs Computing kpt #: 163 total cpu time spent up to now is 296.5 secs Computing kpt #: 164 total cpu time spent up to now is 298.4 secs Computing kpt #: 165 total cpu time spent up to now is 300.2 secs Computing kpt #: 166 total cpu time spent up to now is 302.0 secs Computing kpt #: 167 total cpu time spent up to now is 303.9 secs Computing kpt #: 168 total cpu time spent up to now is 306.3 secs Computing kpt #: 169 total cpu time spent up to now is 308.6 secs Computing kpt #: 170 total cpu time spent up to now is 310.7 secs Computing kpt #: 171 total cpu time spent up to now is 313.0 secs Computing kpt #: 172 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 315.8 secs Computing kpt #: 173 total cpu time spent up to now is 317.7 secs Computing kpt #: 174 total cpu time spent up to now is 319.6 secs Computing kpt #: 175 total cpu time spent up to now is 321.5 secs Computing kpt #: 176 total cpu time spent up to now is 323.6 secs Computing kpt #: 177 total cpu time spent up to now is 326.0 secs Computing kpt #: 178 total cpu time spent up to now is 328.7 secs Computing kpt #: 179 total cpu time spent up to now is 330.7 secs Computing kpt #: 180 total cpu time spent up to now is 332.7 secs Computing kpt #: 181 total cpu time spent up to now is 335.1 secs Computing kpt #: 182 total cpu time spent up to now is 337.2 secs Computing kpt #: 183 total cpu time spent up to now is 339.0 secs Computing kpt #: 184 total cpu time spent up to now is 341.0 secs Computing kpt #: 185 total cpu time spent up to now is 343.0 secs Computing kpt #: 186 total cpu time spent up to now is 345.0 secs Computing kpt #: 187 total cpu time spent up to now is 346.9 secs Computing kpt #: 188 total cpu time spent up to now is 348.9 secs Computing kpt #: 189 total cpu time spent up to now is 350.7 secs Computing kpt #: 190 total cpu time spent up to now is 352.6 secs Computing kpt #: 191 total cpu time spent up to now is 354.6 secs Computing kpt #: 192 total cpu time spent up to now is 356.7 secs Computing kpt #: 193 total cpu time spent up to now is 358.8 secs Computing kpt #: 194 total cpu time spent up to now is 360.9 secs Computing kpt #: 195 total cpu time spent up to now is 362.8 secs Computing kpt #: 196 total cpu time spent up to now is 364.8 secs Computing kpt #: 197 total cpu time spent up to now is 366.6 secs Computing kpt #: 198 total cpu time spent up to now is 368.5 secs Computing kpt #: 199 total cpu time spent up to now is 370.3 secs Computing kpt #: 200 total cpu time spent up to now is 372.2 secs Computing kpt #: 201 total cpu time spent up to now is 374.0 secs Computing kpt #: 202 total cpu time spent up to now is 375.8 secs Computing kpt #: 203 total cpu time spent up to now is 377.6 secs Computing kpt #: 204 total cpu time spent up to now is 379.4 secs Computing kpt #: 205 total cpu time spent up to now is 381.2 secs Computing kpt #: 206 total cpu time spent up to now is 382.9 secs Computing kpt #: 207 total cpu time spent up to now is 384.6 secs Computing kpt #: 208 total cpu time spent up to now is 386.5 secs Computing kpt #: 209 total cpu time spent up to now is 388.8 secs Computing kpt #: 210 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 391.7 secs Computing kpt #: 211 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 394.7 secs Computing kpt #: 212 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 397.6 secs Computing kpt #: 213 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 400.5 secs Computing kpt #: 214 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 403.4 secs Computing kpt #: 215 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 406.3 secs Computing kpt #: 216 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 409.0 secs Computing kpt #: 217 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 411.8 secs Computing kpt #: 218 total cpu time spent up to now is 414.5 secs Computing kpt #: 219 total cpu time spent up to now is 417.1 secs Computing kpt #: 220 total cpu time spent up to now is 419.4 secs Computing kpt #: 221 total cpu time spent up to now is 421.5 secs Computing kpt #: 222 total cpu time spent up to now is 423.3 secs Computing kpt #: 223 total cpu time spent up to now is 425.1 secs Computing kpt #: 224 total cpu time spent up to now is 426.9 secs Computing kpt #: 225 total cpu time spent up to now is 428.7 secs Computing kpt #: 226 total cpu time spent up to now is 430.5 secs Computing kpt #: 227 total cpu time spent up to now is 432.3 secs Computing kpt #: 228 total cpu time spent up to now is 434.0 secs Computing kpt #: 229 total cpu time spent up to now is 435.8 secs Computing kpt #: 230 total cpu time spent up to now is 437.5 secs Computing kpt #: 231 total cpu time spent up to now is 439.3 secs Computing kpt #: 232 total cpu time spent up to now is 441.0 secs Computing kpt #: 233 total cpu time spent up to now is 442.8 secs Computing kpt #: 234 total cpu time spent up to now is 444.5 secs Computing kpt #: 235 total cpu time spent up to now is 446.2 secs Computing kpt #: 236 total cpu time spent up to now is 448.6 secs Computing kpt #: 237 total cpu time spent up to now is 450.4 secs Computing kpt #: 238 total cpu time spent up to now is 452.9 secs Computing kpt #: 239 total cpu time spent up to now is 455.3 secs Computing kpt #: 240 total cpu time spent up to now is 457.1 secs Computing kpt #: 241 total cpu time spent up to now is 459.0 secs Computing kpt #: 242 total cpu time spent up to now is 461.4 secs Computing kpt #: 243 total cpu time spent up to now is 463.2 secs Computing kpt #: 244 total cpu time spent up to now is 465.1 secs Computing kpt #: 245 total cpu time spent up to now is 467.2 secs Computing kpt #: 246 total cpu time spent up to now is 469.1 secs Computing kpt #: 247 total cpu time spent up to now is 471.1 secs Computing kpt #: 248 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 473.9 secs Computing kpt #: 249 total cpu time spent up to now is 476.6 secs Computing kpt #: 250 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 479.4 secs Computing kpt #: 251 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 482.2 secs Computing kpt #: 252 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 485.0 secs Computing kpt #: 253 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 487.8 secs Computing kpt #: 254 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 490.6 secs Computing kpt #: 255 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 493.4 secs Computing kpt #: 256 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 496.2 secs Computing kpt #: 257 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 499.1 secs Computing kpt #: 258 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 501.9 secs Computing kpt #: 259 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 504.7 secs Computing kpt #: 260 total cpu time spent up to now is 507.5 secs Computing kpt #: 261 total cpu time spent up to now is 510.1 secs Computing kpt #: 262 total cpu time spent up to now is 515.7 secs Computing kpt #: 263 total cpu time spent up to now is 518.1 secs Computing kpt #: 264 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 520.8 secs Computing kpt #: 265 total cpu time spent up to now is 522.6 secs Computing kpt #: 266 total cpu time spent up to now is 524.5 secs Computing kpt #: 267 total cpu time spent up to now is 526.3 secs Computing kpt #: 268 total cpu time spent up to now is 528.2 secs Computing kpt #: 269 total cpu time spent up to now is 530.0 secs Computing kpt #: 270 total cpu time spent up to now is 532.0 secs Computing kpt #: 271 total cpu time spent up to now is 534.4 secs Computing kpt #: 272 total cpu time spent up to now is 537.0 secs Computing kpt #: 273 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 539.9 secs Computing kpt #: 274 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 542.8 secs Computing kpt #: 275 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 545.8 secs Computing kpt #: 276 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 548.6 secs Computing kpt #: 277 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 551.5 secs Computing kpt #: 278 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 554.5 secs Computing kpt #: 279 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 557.5 secs Computing kpt #: 280 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 560.3 secs Computing kpt #: 281 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 563.3 secs Computing kpt #: 282 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 566.2 secs Computing kpt #: 283 total cpu time spent up to now is 568.7 secs Computing kpt #: 284 total cpu time spent up to now is 571.2 secs Computing kpt #: 285 total cpu time spent up to now is 573.7 secs Computing kpt #: 286 total cpu time spent up to now is 575.9 secs Computing kpt #: 287 total cpu time spent up to now is 578.2 secs Computing kpt #: 288 total cpu time spent up to now is 580.7 secs Computing kpt #: 289 total cpu time spent up to now is 582.9 secs Computing kpt #: 290 total cpu time spent up to now is 585.4 secs Computing kpt #: 291 total cpu time spent up to now is 587.7 secs Computing kpt #: 292 total cpu time spent up to now is 589.6 secs Computing kpt #: 293 total cpu time spent up to now is 591.4 secs ethr = 2.08E-11, avg # of iterations = 63.1 total cpu time spent up to now is 591.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4493 PWs) bands (ev): -16.5873 -16.5873 -15.0641 -15.0641 -15.0637 -15.0637 -14.3755 -14.3755 -14.3597 -14.3597 -14.2271 -14.2271 -5.8239 -5.8239 -5.8220 -5.8220 -2.6591 -2.6591 -2.2911 -2.2911 -2.1599 -2.1599 -2.1145 -2.1145 -0.0018 -0.0018 0.0070 0.0070 0.1296 0.1296 0.3404 0.3404 1.0521 1.0521 1.2709 1.2709 1.2735 1.2735 1.8211 1.8211 1.8481 1.8481 1.8704 1.8704 2.2845 2.2845 2.2905 2.2905 6.0997 6.0997 10.1405 10.1405 10.1903 10.1903 11.4861 11.4861 11.5187 11.5187 k = 0.0135 0.0078-0.0000 ( 4497 PWs) bands (ev): -16.5867 -16.5867 -15.0647 -15.0642 -15.0639 -15.0635 -14.3758 -14.3757 -14.3600 -14.3599 -14.2277 -14.2271 -5.8239 -5.8235 -5.8216 -5.8208 -2.6600 -2.6571 -2.2909 -2.2908 -2.1611 -2.1600 -2.1153 -2.1152 -0.0034 -0.0028 0.0046 0.0080 0.1305 0.1305 0.3409 0.3444 1.0487 1.0511 1.2718 1.2724 1.2739 1.2771 1.8182 1.8215 1.8465 1.8468 1.8688 1.8721 2.2844 2.2844 2.2903 2.2906 6.1030 6.1031 10.1397 10.1397 10.1889 10.1904 11.4841 11.4844 11.5162 11.5186 k = 0.0270 0.0156-0.0000 ( 4505 PWs) bands (ev): -16.5849 -16.5849 -15.0660 -15.0653 -15.0639 -15.0628 -14.3764 -14.3763 -14.3607 -14.3604 -14.2288 -14.2276 -5.8250 -5.8237 -5.8183 -5.8172 -2.6598 -2.6540 -2.2903 -2.2902 -2.1639 -2.1623 -2.1172 -2.1164 -0.0099 -0.0065 0.0035 0.0076 0.1331 0.1332 0.3458 0.3525 1.0415 1.0459 1.2735 1.2742 1.2803 1.2858 1.8128 1.8184 1.8419 1.8436 1.8673 1.8740 2.2839 2.2842 2.2901 2.2906 6.1131 6.1132 10.1375 10.1376 10.1859 10.1889 11.4777 11.4800 11.5111 11.5166 k = 0.0405 0.0234-0.0000 ( 4509 PWs) bands (ev): -16.5820 -16.5820 -15.0683 -15.0673 -15.0638 -15.0620 -14.3775 -14.3772 -14.3618 -14.3613 -14.2304 -14.2286 -5.8269 -5.8246 -5.8123 -5.8108 -2.6586 -2.6498 -2.2896 -2.2891 -2.1692 -2.1682 -2.1190 -2.1166 -0.0210 -0.0139 0.0039 0.0076 0.1375 0.1376 0.3546 0.3641 1.0313 1.0372 1.2759 1.2766 1.2916 1.2988 1.8044 1.8103 1.8350 1.8399 1.8660 1.8760 2.2828 2.2836 2.2899 2.2908 6.1298 6.1299 10.1336 10.1340 10.1815 10.1860 11.4666 11.4735 11.5028 11.5133 k = 0.0541 0.0312-0.0000 ( 4507 PWs) bands (ev): -16.5779 -16.5779 -15.0714 -15.0701 -15.0634 -15.0609 -14.3791 -14.3784 -14.3635 -14.3625 -14.2325 -14.2301 -5.8294 -5.8263 -5.8039 -5.8019 -2.6563 -2.6446 -2.2890 -2.2876 -2.1792 -2.1779 -2.1193 -2.1142 -0.0351 -0.0251 0.0051 0.0086 0.1433 0.1436 0.3666 0.3784 1.0191 1.0260 1.2792 1.2798 1.3065 1.3150 1.7918 1.7965 1.8272 1.8363 1.8654 1.8782 2.2811 2.2826 2.2900 2.2914 6.1529 6.1530 10.1281 10.1290 10.1756 10.1815 11.4513 11.4656 11.4912 11.5094 k = 0.0676 0.0390-0.0000 ( 4505 PWs) bands (ev): -16.5727 -16.5727 -15.0754 -15.0739 -15.0628 -15.0597 -14.3812 -14.3799 -14.3657 -14.3638 -14.2351 -14.2321 -5.8325 -5.8286 -5.7930 -5.7906 -2.6530 -2.6384 -2.2892 -2.2859 -2.1951 -2.1907 -2.1170 -2.1089 -0.0513 -0.0391 0.0069 0.0104 0.1503 0.1507 0.3809 0.3946 1.0057 1.0133 1.2831 1.2837 1.3241 1.3335 1.7741 1.7776 1.8197 1.8323 1.8655 1.8804 2.2789 2.2812 2.2905 2.2924 6.1822 6.1823 10.1209 10.1225 10.1681 10.1754 11.4325 11.4568 11.4766 11.5050 k = 0.0811 0.0468-0.0000 ( 4503 PWs) bands (ev): -16.5663 -16.5663 -15.0803 -15.0785 -15.0620 -15.0583 -14.3839 -14.3817 -14.3683 -14.3654 -14.2381 -14.2346 -5.8361 -5.8315 -5.7797 -5.7769 -2.6487 -2.6312 -2.2911 -2.2842 -2.2153 -2.2063 -2.1120 -2.1008 -0.0689 -0.0551 0.0094 0.0129 0.1583 0.1589 0.3969 0.4119 0.9920 0.9999 1.2876 1.2882 1.3438 1.3538 1.7515 1.7542 1.8124 1.8276 1.8664 1.8827 2.2763 2.2793 2.2913 2.2937 6.2174 6.2176 10.1117 10.1145 10.1590 10.1677 11.4113 11.4475 11.4596 11.5002 k = 0.0946 0.0546-0.0000 ( 4499 PWs) bands (ev): -16.5588 -16.5588 -15.0862 -15.0841 -15.0609 -15.0567 -14.3870 -14.3837 -14.3715 -14.3671 -14.2414 -14.2374 -5.8402 -5.8349 -5.7641 -5.7608 -2.6436 -2.6232 -2.2967 -2.2833 -2.2387 -2.2223 -2.1045 -2.0904 -0.0875 -0.0725 0.0126 0.0163 0.1669 0.1678 0.4137 0.4298 0.9783 0.9863 1.2925 1.2932 1.3649 1.3753 1.7247 1.7269 1.8054 1.8223 1.8678 1.8850 2.2736 2.2772 2.2924 2.2953 6.2581 6.2583 10.1005 10.1047 10.1481 10.1582 11.3884 11.4366 11.4421 11.4951 k = 0.1081 0.0624-0.0000 ( 4496 PWs) bands (ev): -16.5501 -16.5501 -15.0930 -15.0907 -15.0597 -15.0550 -14.3906 -14.3860 -14.3751 -14.3689 -14.2451 -14.2406 -5.8447 -5.8388 -5.7462 -5.7425 -2.6377 -2.6145 -2.3092 -2.2867 -2.2612 -2.2351 -2.0946 -2.0777 -0.1065 -0.0907 0.0165 0.0204 0.1759 0.1770 0.4309 0.4478 0.9652 0.9731 1.2976 1.2983 1.3871 1.3978 1.6944 1.6963 1.7982 1.8162 1.8697 1.8875 2.2707 2.2748 2.2938 2.2972 6.3040 6.3043 10.0872 10.0932 10.1354 10.1470 11.3646 11.4179 11.4315 11.4901 k = 0.1216 0.0702-0.0000 ( 4494 PWs) bands (ev): -16.5404 -16.5403 -15.1008 -15.0983 -15.0583 -15.0531 -14.3947 -14.3886 -14.3791 -14.3709 -14.2490 -14.2440 -5.8497 -5.8433 -5.7261 -5.7220 -2.6312 -2.6051 -2.3302 -2.3067 -2.2703 -2.2426 -2.0824 -2.0628 -0.1258 -0.1094 0.0212 0.0253 0.1848 0.1863 0.4478 0.4655 0.9529 0.9605 1.3025 1.3033 1.4100 1.4209 1.6613 1.6631 1.7909 1.8096 1.8721 1.8902 2.2677 2.2723 2.2955 2.2993 6.3547 6.3550 10.0716 10.0798 10.1209 10.1341 11.3405 11.3961 11.4239 11.4854 k = 0.1351 0.0780-0.0000 ( 4500 PWs) bands (ev): -16.5295 -16.5295 -15.1097 -15.1070 -15.0568 -15.0510 -14.3991 -14.3915 -14.3833 -14.3730 -14.2532 -14.2477 -5.8551 -5.8481 -5.7039 -5.6994 -2.6241 -2.5951 -2.3584 -2.3382 -2.2708 -2.2458 -2.0680 -2.0458 -0.1451 -0.1282 0.0267 0.0310 0.1934 0.1952 0.4642 0.4824 0.9418 0.9490 1.3068 1.3076 1.4336 1.4445 1.6263 1.6280 1.7834 1.8025 1.8749 1.8931 2.2647 2.2697 2.2974 2.3016 6.4097 6.4102 10.0537 10.0645 10.1045 10.1195 11.3166 11.3735 11.4178 11.4811 k = 0.1486 0.0858-0.0000 ( 4496 PWs) bands (ev): -16.5176 -16.5176 -15.1196 -15.1167 -15.0550 -15.0488 -14.4039 -14.3949 -14.3876 -14.3752 -14.2576 -14.2516 -5.8609 -5.8535 -5.6797 -5.6748 -2.6166 -2.5848 -2.3915 -2.3736 -2.2701 -2.2465 -2.0514 -2.0268 -0.1641 -0.1470 0.0330 0.0375 0.2013 0.2035 0.4796 0.4983 0.9320 0.9387 1.3097 1.3106 1.4575 1.4683 1.5904 1.5921 1.7756 1.7949 1.8782 1.8964 2.2616 2.2669 2.2995 2.3041 6.4687 6.4693 10.0334 10.0471 10.0864 10.1035 11.2934 11.3505 11.4132 11.4774 k = 0.1622 0.0936-0.0000 ( 4496 PWs) bands (ev): -16.5046 -16.5046 -15.1306 -15.1275 -15.0531 -15.0465 -14.4089 -14.3989 -14.3916 -14.3775 -14.2622 -14.2556 -5.8670 -5.8591 -5.6535 -5.6482 -2.6090 -2.5744 -2.4279 -2.4111 -2.2692 -2.2460 -2.0327 -2.0057 -0.1827 -0.1654 0.0400 0.0447 0.2081 0.2109 0.4940 0.5130 0.9236 0.9297 1.3103 1.3113 1.4815 1.4922 1.5552 1.5568 1.7677 1.7871 1.8820 1.9000 2.2584 2.2640 2.3018 2.3067 6.5313 6.5320 10.0105 10.0276 10.0666 10.0861 11.2713 11.3274 11.4103 11.4744 k = 0.1757 0.1014-0.0000 ( 4492 PWs) bands (ev): -16.4907 -16.4906 -15.1428 -15.1395 -15.0510 -15.0440 -14.4141 -14.4037 -14.3952 -14.3799 -14.2668 -14.2598 -5.8733 -5.8651 -5.6255 -5.6199 -2.6018 -2.5643 -2.4664 -2.4496 -2.2686 -2.2451 -2.0118 -1.9828 -0.2008 -0.1835 0.0477 0.0526 0.2136 0.2168 0.5072 0.5263 0.9167 0.9223 1.3070 1.3082 1.5045 1.5139 1.5244 1.5249 1.7597 1.7790 1.8863 1.9041 2.2552 2.2610 2.3043 2.3094 6.5970 6.5979 9.9851 10.0059 10.0452 10.0678 11.2502 11.3043 11.4092 11.4723 k = 0.1892 0.1092-0.0000 ( 4492 PWs) bands (ev): -16.4757 -16.4756 -15.1561 -15.1527 -15.0488 -15.0415 -14.4195 -14.4089 -14.3985 -14.3823 -14.2716 -14.2641 -5.8799 -5.8714 -5.5958 -5.5899 -2.5964 -2.5568 -2.5046 -2.4873 -2.2682 -2.2439 -1.9889 -1.9580 -0.2182 -0.2009 0.0561 0.0612 0.2173 0.2212 0.5191 0.5383 0.9114 0.9163 1.2980 1.2993 1.4923 1.4941 1.5312 1.5413 1.7517 1.7708 1.8912 1.9087 2.2519 2.2579 2.3069 2.3122 6.6654 6.6665 9.9572 9.9819 10.0225 10.0487 11.2302 11.2813 11.4098 11.4710 k = 0.2027 0.1170-0.0000 ( 4494 PWs) bands (ev): -16.4597 -16.4596 -15.1705 -15.1670 -15.0465 -15.0389 -14.4249 -14.4146 -14.4015 -14.3847 -14.2764 -14.2684 -5.8866 -5.8780 -5.5646 -5.5584 -2.5974 -2.5652 -2.5321 -2.5160 -2.2681 -2.2427 -1.9641 -1.9316 -0.2349 -0.2177 0.0651 0.0704 0.2191 0.2237 0.5297 0.5488 0.9075 0.9117 1.2814 1.2829 1.4707 1.4723 1.5549 1.5650 1.7439 1.7626 1.8968 1.9138 2.2485 2.2546 2.3096 2.3151 6.7363 6.7375 9.9268 9.9552 9.9992 10.0291 11.2112 11.2583 11.4120 11.4708 k = 0.2162 0.1248-0.0000 ( 4496 PWs) bands (ev): -16.4429 -16.4427 -15.1860 -15.1824 -15.0441 -15.0362 -14.4303 -14.4203 -14.4045 -14.3872 -14.2813 -14.2728 -5.8934 -5.8847 -5.5319 -5.5254 -2.6160 -2.6005 -2.5436 -2.5180 -2.2683 -2.2417 -1.9374 -1.9036 -0.2508 -0.2336 0.0747 0.0802 0.2187 0.2240 0.5391 0.5579 0.9048 0.9084 1.2571 1.2587 1.4560 1.4576 1.5787 1.5885 1.7364 1.7546 1.9030 1.9195 2.2449 2.2512 2.3123 2.3180 6.8091 6.8106 9.8942 9.9257 9.9758 10.0092 11.1927 11.2353 11.4157 11.4718 k = 0.2297 0.1326-0.0000 ( 4498 PWs) bands (ev): -16.4251 -16.4250 -15.2027 -15.1991 -15.0416 -15.0335 -14.4357 -14.4261 -14.4073 -14.3897 -14.2862 -14.2772 -5.9003 -5.8915 -5.4980 -5.4912 -2.6526 -2.6424 -2.5430 -2.5093 -2.2688 -2.2409 -1.9090 -1.8742 -0.2657 -0.2487 0.0847 0.0905 0.2161 0.2221 0.5473 0.5657 0.9032 0.9062 1.2265 1.2281 1.4470 1.4489 1.6022 1.6117 1.7293 1.7469 1.9099 1.9258 2.2413 2.2475 2.3150 2.3209 6.8836 6.8853 9.8595 9.8933 9.9527 9.9891 11.1745 11.2122 11.4207 11.4743 k = 0.2432 0.1404-0.0000 ( 4476 PWs) bands (ev): -16.4065 -16.4063 -15.2205 -15.2168 -15.0389 -15.0307 -14.4409 -14.4319 -14.4100 -14.3922 -14.2910 -14.2816 -5.9072 -5.8985 -5.4629 -5.4560 -2.6959 -2.6864 -2.5366 -2.4987 -2.2696 -2.2404 -1.8791 -1.8436 -0.2796 -0.2629 0.0951 0.1011 0.2110 0.2179 0.5544 0.5722 0.9025 0.9050 1.1920 1.1937 1.4418 1.4443 1.6253 1.6345 1.7229 1.7398 1.9176 1.9328 2.2375 2.2437 2.3177 2.3237 6.9594 6.9614 9.8229 9.8582 9.9302 9.9691 11.1560 11.1890 11.4268 11.4786 k = 0.2568 0.1482-0.0000 ( 4472 PWs) bands (ev): -16.3871 -16.3869 -15.2393 -15.2356 -15.0363 -15.0280 -14.4460 -14.4374 -14.4126 -14.3947 -14.2958 -14.2861 -5.9141 -5.9054 -5.4269 -5.4198 -2.7411 -2.7316 -2.5282 -2.4878 -2.2707 -2.2402 -1.8478 -1.8119 -0.2925 -0.2760 0.1057 0.1119 0.2037 0.2114 0.5604 0.5774 0.9023 0.9043 1.1557 1.1576 1.4386 1.4417 1.6479 1.6566 1.7173 1.7333 1.9259 1.9404 2.2335 2.2397 2.3203 2.3264 7.0361 7.0383 9.7845 9.8206 9.9086 9.9493 11.1364 11.1656 11.4339 11.4851 k = 0.2703 0.1560-0.0000 ( 4466 PWs) bands (ev): -16.3670 -16.3668 -15.2591 -15.2555 -15.0336 -15.0252 -14.4508 -14.4428 -14.4151 -14.3971 -14.3006 -14.2905 -5.9209 -5.9124 -5.3902 -5.3829 -2.7869 -2.7774 -2.5190 -2.4769 -2.2721 -2.2402 -1.8154 -1.7793 -0.3043 -0.2881 0.1164 0.1228 0.1942 0.2026 0.5652 0.5814 0.9024 0.9041 1.1192 1.1215 1.4360 1.4398 1.6696 1.6781 1.7128 1.7278 1.9348 1.9486 2.2293 2.2355 2.3229 2.3290 7.1134 7.1159 9.7446 9.7809 9.8880 9.9299 11.1153 11.1420 11.4420 11.4942 k = 0.2838 0.1638-0.0000 ( 4460 PWs) bands (ev): -16.3463 -16.3460 -15.2799 -15.2762 -15.0308 -15.0225 -14.4554 -14.4479 -14.4174 -14.3995 -14.3053 -14.2949 -5.9276 -5.9192 -5.3529 -5.3455 -2.8328 -2.8234 -2.5095 -2.4660 -2.2737 -2.2407 -1.7820 -1.7462 -0.3149 -0.2990 0.1269 0.1336 0.1825 0.1917 0.5691 0.5841 0.9023 0.9039 1.0839 1.0866 1.4333 1.4379 1.6902 1.6986 1.7099 1.7234 1.9444 1.9574 2.2250 2.2310 2.3253 2.3314 7.1910 7.1938 9.7034 9.7393 9.8685 9.9112 11.0923 11.1182 11.4515 11.5059 k = 0.2973 0.1716-0.0000 ( 4464 PWs) bands (ev): -16.3249 -16.3246 -15.3014 -15.2979 -15.0281 -15.0199 -14.4597 -14.4528 -14.4196 -14.4018 -14.3098 -14.2993 -5.9341 -5.9260 -5.3153 -5.3078 -2.8785 -2.8691 -2.4999 -2.4555 -2.2756 -2.2415 -1.7480 -1.7126 -0.3244 -0.3088 0.1369 0.1439 0.1692 0.1791 0.5719 0.5858 0.9015 0.9032 1.0507 1.0541 1.4300 1.4354 1.7035 1.7136 1.7165 1.7229 1.9545 1.9667 2.2205 2.2264 2.3276 2.3337 7.2685 7.2716 9.6611 9.6962 9.8503 9.8933 11.0676 11.0939 11.4625 11.5203 k = 0.3108 0.1794-0.0000 ( 4464 PWs) bands (ev): -16.3031 -16.3028 -15.3237 -15.3203 -15.0253 -15.0173 -14.4637 -14.4573 -14.4215 -14.4040 -14.3143 -14.3036 -5.9404 -5.9326 -5.2776 -5.2702 -2.9236 -2.9142 -2.4902 -2.4451 -2.2777 -2.2427 -1.7136 -1.6789 -0.3325 -0.3173 0.1440 0.1528 0.1557 0.1665 0.5738 0.5865 0.8992 0.9013 1.0210 1.0253 1.4259 1.4320 1.7040 1.7159 1.7327 1.7387 1.9652 1.9766 2.2157 2.2215 2.3297 2.3357 7.3455 7.3490 9.6178 9.6518 9.8336 9.8763 11.0413 11.0688 11.4755 11.5373 k = 0.3243 0.1872-0.0000 ( 4468 PWs) bands (ev): -16.2809 -16.2805 -15.3466 -15.3432 -15.0226 -15.0148 -14.4674 -14.4615 -14.4233 -14.4061 -14.3185 -14.3078 -5.9465 -5.9390 -5.2401 -5.2327 -2.9677 -2.9586 -2.4807 -2.4352 -2.2801 -2.2443 -1.6791 -1.6454 -0.3395 -0.3246 0.1347 0.1443 0.1594 0.1662 0.5750 0.5866 0.8940 0.8966 0.9962 1.0014 1.4210 1.4276 1.7041 1.7150 1.7509 1.7565 1.9762 1.9869 2.2108 2.2164 2.3316 2.3375 7.4218 7.4256 9.5738 9.6065 9.8184 9.8605 11.0139 11.0428 11.4908 11.5569 k = 0.3378 0.1951-0.0000 ( 4464 PWs) bands (ev): -16.2584 -16.2580 -15.3699 -15.3666 -15.0200 -15.0125 -14.4707 -14.4654 -14.4249 -14.4082 -14.3226 -14.3119 -5.9522 -5.9451 -5.2031 -5.1958 -3.0107 -3.0018 -2.4712 -2.4256 -2.2827 -2.2462 -1.6448 -1.6124 -0.3451 -0.3307 0.1175 0.1277 0.1670 0.1738 0.5758 0.5863 0.8844 0.8876 0.9782 0.9841 1.4152 1.4224 1.7051 1.7148 1.7683 1.7735 1.9876 1.9975 2.2056 2.2110 2.3333 2.3391 7.4969 7.5010 9.5294 9.5605 9.8049 9.8459 10.9859 11.0158 11.5087 11.5788 k = 0.3514 0.2029-0.0000 ( 4470 PWs) bands (ev): -16.2358 -16.2353 -15.3934 -15.3903 -15.0174 -15.0102 -14.4738 -14.4689 -14.4263 -14.4102 -14.3264 -14.3160 -5.9576 -5.9509 -5.1669 -5.1597 -3.0522 -3.0436 -2.4619 -2.4164 -2.2855 -2.2485 -1.6110 -1.5802 -0.3495 -0.3356 0.0988 0.1092 0.1743 0.1810 0.5765 0.5860 0.8697 0.8736 0.9677 0.9737 1.4089 1.4163 1.7068 1.7155 1.7846 1.7893 1.9992 2.0084 2.2002 2.2055 2.3349 2.3404 7.5704 7.5748 9.4848 9.5142 9.7930 9.8326 10.9578 10.9882 11.5293 11.6031 k = 0.3649 0.2107-0.0000 ( 4470 PWs) bands (ev): -16.2132 -16.2128 -15.4169 -15.4140 -15.0149 -15.0082 -14.4765 -14.4721 -14.4274 -14.4120 -14.3300 -14.3198 -5.9626 -5.9564 -5.1317 -5.1248 -3.0919 -3.0837 -2.4527 -2.4078 -2.2884 -2.2512 -1.5781 -1.5491 -0.3526 -0.3393 0.0794 0.0899 0.1806 0.1872 0.5776 0.5862 0.8513 0.8560 0.9631 0.9687 1.4020 1.4095 1.7092 1.7168 1.7998 1.8040 2.0110 2.0194 2.1945 2.1997 2.3362 2.3415 7.6418 7.6465 9.4404 9.4679 9.7829 9.8206 10.9301 10.9602 11.5525 11.6297 k = 0.3784 0.2185-0.0000 ( 4468 PWs) bands (ev): -16.1909 -16.1904 -15.4403 -15.4375 -15.0126 -15.0063 -14.4789 -14.4749 -14.4284 -14.4138 -14.3333 -14.3236 -5.9672 -5.9615 -5.0981 -5.0915 -3.1294 -3.1217 -2.4438 -2.3997 -2.2913 -2.2543 -1.5466 -1.5196 -0.3545 -0.3418 0.0599 0.0701 0.1856 0.1921 0.5794 0.5874 0.8309 0.8367 0.9621 0.9673 1.3950 1.4025 1.7120 1.7187 1.8138 1.8175 2.0228 2.0306 2.1886 2.1936 2.3374 2.3424 7.7107 7.7156 9.3966 9.4221 9.7745 9.8100 10.9031 10.9325 11.5784 11.6584 k = 0.3919 0.2263-0.0000 ( 4464 PWs) bands (ev): -16.1691 -16.1686 -15.4631 -15.4606 -15.0103 -15.0046 -14.4810 -14.4775 -14.4290 -14.4156 -14.3362 -14.3271 -5.9714 -5.9663 -5.0663 -5.0601 -3.1645 -3.1572 -2.4351 -2.3923 -2.2941 -2.2577 -1.5166 -1.4919 -0.3553 -0.3433 0.0405 0.0504 0.1894 0.1956 0.5823 0.5898 0.8101 0.8168 0.9631 0.9678 1.3880 1.3952 1.7152 1.7210 1.8265 1.8296 2.0346 2.0418 2.1824 2.1873 2.3384 2.3430 7.7765 7.7814 9.3539 9.3772 9.7678 9.8006 10.8774 10.9053 11.6069 11.6891 k = 0.4054 0.2341-0.0000 ( 4472 PWs) bands (ev): -16.1481 -16.1476 -15.4850 -15.4827 -15.0083 -15.0031 -14.4827 -14.4797 -14.4295 -14.4172 -14.3388 -14.3304 -5.9751 -5.9705 -5.0367 -5.0311 -3.1966 -3.1900 -2.4267 -2.3858 -2.2967 -2.2614 -1.4888 -1.4665 -0.3550 -0.3439 0.0218 0.0312 0.1921 0.1978 0.5863 0.5937 0.7895 0.7971 0.9651 0.9693 1.3813 1.3881 1.7184 1.7234 1.8378 1.8405 2.0463 2.0529 2.1759 2.1806 2.3392 2.3434 7.8383 7.8433 9.3129 9.3339 9.7627 9.7925 10.8535 10.8794 11.6377 11.7217 k = 0.4189 0.2419-0.0000 ( 4476 PWs) bands (ev): -16.1283 -16.1278 -15.5057 -15.5037 -15.0064 -15.0019 -14.4842 -14.4816 -14.4297 -14.4188 -14.3409 -14.3334 -5.9783 -5.9743 -5.0099 -5.0048 -3.2255 -3.2196 -2.4185 -2.3803 -2.2988 -2.2654 -1.4634 -1.4438 -0.3538 -0.3437 0.0042 0.0128 0.1937 0.1988 0.5918 0.5992 0.7696 0.7779 0.9676 0.9712 1.3751 1.3813 1.7216 1.7258 1.8477 1.8500 2.0578 2.0639 2.1691 2.1737 2.3399 2.3436 7.8955 7.9004 9.2742 9.2929 9.7590 9.7855 10.8319 10.8552 11.6707 11.7558 k = 0.4324 0.2497-0.0000 ( 4470 PWs) bands (ev): -16.1102 -16.1097 -15.5246 -15.5229 -15.0047 -15.0009 -14.4854 -14.4833 -14.4297 -14.4203 -14.3427 -14.3362 -5.9810 -5.9777 -4.9861 -4.9817 -3.2507 -3.2456 -2.4108 -2.3761 -2.3002 -2.2697 -1.4408 -1.4242 -0.3519 -0.3430 -0.0118 -0.0041 0.1945 0.1989 0.5986 0.6063 0.7507 0.7595 0.9701 0.9731 1.3696 1.3750 1.7246 1.7281 1.8562 1.8580 2.0690 2.0747 2.1620 2.1665 2.3405 2.3437 7.9471 7.9517 9.2389 9.2550 9.7567 9.7794 10.8131 10.8333 11.7057 11.7911 k = 0.4459 0.2575-0.0000 ( 4474 PWs) bands (ev): -16.0941 -16.0937 -15.5413 -15.5398 -15.0032 -15.0001 -14.4864 -14.4846 -14.4294 -14.4217 -14.3440 -14.3386 -5.9831 -5.9805 -4.9659 -4.9623 -3.2719 -3.2677 -2.4034 -2.3735 -2.3007 -2.2741 -1.4214 -1.4079 -0.3496 -0.3421 -0.0256 -0.0191 0.1947 0.1984 0.6068 0.6146 0.7328 0.7419 0.9724 0.9748 1.3650 1.3695 1.7273 1.7300 1.8632 1.8646 2.0800 2.0853 2.1546 2.1590 2.3411 2.3437 7.9920 7.9961 9.2080 9.2212 9.7556 9.7742 10.7974 10.8142 11.7422 11.8265 k = 0.4595 0.2653-0.0000 ( 4474 PWs) bands (ev): -16.0808 -16.0804 -15.5551 -15.5540 -15.0019 -14.9996 -14.4870 -14.4857 -14.4290 -14.4231 -14.3449 -14.3407 -5.9848 -5.9828 -4.9496 -4.9468 -3.2886 -3.2854 -2.3964 -2.3726 -2.3000 -2.2786 -1.4055 -1.3953 -0.3471 -0.3412 -0.0368 -0.0317 0.1947 0.1975 0.6159 0.6238 0.7166 0.7255 0.9744 0.9763 1.3614 1.3649 1.7296 1.7316 1.8687 1.8698 2.0906 2.0955 2.1468 2.1511 2.3415 2.3435 8.0289 8.0323 9.1825 9.1927 9.7555 9.7698 10.7853 10.7982 11.7797 11.8603 k = 0.4730 0.2731-0.0000 ( 4470 PWs) bands (ev): -16.0707 -16.0704 -15.5655 -15.5647 -15.0009 -14.9993 -14.4875 -14.4866 -14.4284 -14.4244 -14.3453 -14.3425 -5.9858 -5.9845 -4.9375 -4.9356 -3.3006 -3.2985 -2.3901 -2.3734 -2.2982 -2.2832 -1.3935 -1.3866 -0.3446 -0.3406 -0.0450 -0.0414 0.1946 0.1965 0.6256 0.6328 0.7026 0.7106 0.9760 0.9772 1.3590 1.3613 1.7314 1.7327 1.8727 1.8734 2.1008 2.1054 2.1387 2.1429 2.3419 2.3433 8.0567 8.0592 9.1637 9.1707 9.7563 9.7660 10.7771 10.7859 11.8175 11.8877 k = 0.4865 0.2809-0.0000 ( 4476 PWs) bands (ev): -16.0643 -16.0642 -15.5718 -15.5714 -15.0001 -14.9993 -14.4876 -14.4872 -14.4276 -14.4256 -14.3452 -14.3438 -5.9864 -5.9857 -4.9300 -4.9290 -3.3077 -3.3066 -2.3844 -2.3758 -2.2953 -2.2876 -1.3855 -1.3820 -0.3426 -0.3405 -0.0496 -0.0478 0.1947 0.1956 0.6347 0.6397 0.6930 0.6983 0.9771 0.9777 1.3577 1.3589 1.7326 1.7332 1.8752 1.8755 2.1104 2.1146 2.1306 2.1346 2.3423 2.3430 8.0742 8.0755 9.1527 9.1563 9.7578 9.7627 10.7730 10.7775 11.8535 11.8981 k = 0.5000 0.2887-0.0000 ( 4468 PWs) bands (ev): -16.0621 -16.0621 -15.5739 -15.5739 -14.9996 -14.9996 -14.4875 -14.4875 -14.4266 -14.4266 -14.3447 -14.3447 -5.9863 -5.9863 -4.9271 -4.9271 -3.3098 -3.3098 -2.3796 -2.3796 -2.2917 -2.2917 -1.3816 -1.3816 -0.3412 -0.3412 -0.0506 -0.0506 0.1950 0.1950 0.6406 0.6406 0.6912 0.6912 0.9777 0.9777 1.3577 1.3577 1.7332 1.7332 1.8761 1.8761 2.1182 2.1182 2.1272 2.1272 2.3427 2.3427 8.0806 8.0806 9.1502 9.1502 9.7600 9.7600 10.7731 10.7731 11.8837 11.8837 k = 0.5000 0.2887-0.0000 ( 4468 PWs) bands (ev): -16.0621 -16.0621 -15.5739 -15.5739 -14.9996 -14.9996 -14.4875 -14.4875 -14.4266 -14.4266 -14.3447 -14.3447 -5.9863 -5.9863 -4.9271 -4.9271 -3.3098 -3.3098 -2.3796 -2.3796 -2.2917 -2.2917 -1.3816 -1.3816 -0.3412 -0.3412 -0.0506 -0.0506 0.1950 0.1950 0.6406 0.6406 0.6912 0.6912 0.9777 0.9777 1.3577 1.3577 1.7332 1.7332 1.8761 1.8761 2.1182 2.1182 2.1272 2.1272 2.3427 2.3427 8.0806 8.0806 9.1502 9.1502 9.7600 9.7600 10.7731 10.7731 11.8837 11.8837 k = 0.4921 0.3024-0.0000 ( 4468 PWs) bands (ev): -16.0616 -16.0614 -15.5745 -15.5741 -15.0002 -14.9995 -14.4876 -14.4874 -14.4266 -14.4265 -14.3450 -14.3447 -5.9869 -5.9862 -4.9260 -4.9246 -3.3144 -3.3130 -2.3798 -2.3779 -2.2902 -2.2894 -1.3824 -1.3803 -0.3403 -0.3401 -0.0505 -0.0500 0.1938 0.1942 0.6400 0.6406 0.6891 0.6901 0.9792 0.9797 1.3555 1.3563 1.7333 1.7335 1.8764 1.8765 2.1183 2.1184 2.1267 2.1279 2.3429 2.3429 8.0814 8.0828 9.1480 9.1502 9.7594 9.7609 10.7736 10.7759 11.8811 11.8827 k = 0.4841 0.3162-0.0000 ( 4468 PWs) bands (ev): -16.0598 -16.0595 -15.5761 -15.5753 -15.0012 -14.9999 -14.4876 -14.4873 -14.4266 -14.4263 -14.3456 -14.3450 -5.9880 -5.9865 -4.9211 -4.9183 -3.3268 -3.3239 -2.3785 -2.3748 -2.2848 -2.2832 -1.3828 -1.3786 -0.3373 -0.3370 -0.0498 -0.0487 0.1907 0.1914 0.6389 0.6401 0.6840 0.6859 0.9841 0.9851 1.3499 1.3515 1.7338 1.7342 1.8773 1.8776 2.1188 2.1189 2.1263 2.1288 2.3436 2.3437 8.0852 8.0880 9.1437 9.1480 9.7590 9.7620 10.7771 10.7817 11.8749 11.8781 k = 0.4762 0.3299-0.0000 ( 4468 PWs) bands (ev): -16.0567 -16.0563 -15.5786 -15.5773 -15.0027 -15.0008 -14.4875 -14.4870 -14.4264 -14.4259 -14.3464 -14.3456 -5.9895 -5.9874 -4.9125 -4.9084 -3.3464 -3.3422 -2.3760 -2.3705 -2.2759 -2.2736 -1.3825 -1.3763 -0.3323 -0.3319 -0.0485 -0.0469 0.1856 0.1867 0.6372 0.6391 0.6763 0.6790 0.9920 0.9932 1.3411 1.3433 1.7347 1.7354 1.8786 1.8791 2.1195 2.1197 2.1262 2.1298 2.3448 2.3448 8.0921 8.0962 9.1372 9.1436 9.7590 9.7633 10.7837 10.7906 11.8652 11.8700 k = 0.4683 0.3437-0.0000 ( 4468 PWs) bands (ev): -16.0525 -16.0519 -15.5821 -15.5804 -15.0046 -15.0022 -14.4874 -14.4868 -14.4260 -14.4255 -14.3474 -14.3465 -5.9914 -5.9886 -4.9002 -4.8948 -3.3726 -3.3672 -2.3724 -2.3652 -2.2642 -2.2610 -1.3816 -1.3735 -0.3254 -0.3248 -0.0466 -0.0445 0.1787 0.1801 0.6348 0.6375 0.6668 0.6701 1.0021 1.0036 1.3292 1.3321 1.7360 1.7370 1.8803 1.8810 2.1205 2.1208 2.1263 2.1311 2.3463 2.3464 8.1019 8.1073 9.1286 9.1369 9.7592 9.7648 10.7935 10.8026 11.8522 11.8584 k = 0.4603 0.3574-0.0000 ( 4464 PWs) bands (ev): -16.0470 -16.0463 -15.5865 -15.5844 -15.0069 -15.0039 -14.4872 -14.4865 -14.4256 -14.4249 -14.3488 -14.3476 -5.9936 -5.9903 -4.8844 -4.8778 -3.4045 -3.3981 -2.3678 -2.3590 -2.2504 -2.2464 -1.3797 -1.3700 -0.3166 -0.3160 -0.0442 -0.0417 0.1701 0.1718 0.6319 0.6352 0.6561 0.6600 1.0137 1.0154 1.3148 1.3182 1.7379 1.7391 1.8820 1.8830 2.1218 2.1221 2.1268 2.1328 2.3482 2.3483 8.1146 8.1213 9.1179 9.1280 9.7596 9.7665 10.8063 10.8177 11.8361 11.8435 k = 0.4524 0.3712-0.0000 ( 4466 PWs) bands (ev): -16.0403 -16.0394 -15.5919 -15.5894 -15.0094 -15.0060 -14.4870 -14.4862 -14.4250 -14.4243 -14.3503 -14.3490 -5.9961 -5.9924 -4.8650 -4.8573 -3.4415 -3.4341 -2.3624 -2.3521 -2.2354 -2.2305 -1.3769 -1.3657 -0.3060 -0.3053 -0.0413 -0.0386 0.1600 0.1619 0.6280 0.6320 0.6451 0.6494 1.0262 1.0280 1.2981 1.3020 1.7402 1.7417 1.8834 1.8848 2.1233 2.1237 2.1276 2.1347 2.3503 2.3504 8.1302 8.1382 9.1050 9.1169 9.7603 9.7683 10.8223 10.8359 11.8171 11.8255 k = 0.4444 0.3849-0.0000 ( 4466 PWs) bands (ev): -16.0323 -16.0314 -15.5983 -15.5955 -15.0122 -15.0084 -14.4868 -14.4858 -14.4243 -14.4235 -14.3521 -14.3507 -5.9988 -5.9948 -4.8422 -4.8335 -3.4826 -3.4744 -2.3562 -2.3444 -2.2200 -2.2142 -1.3728 -1.3604 -0.2937 -0.2930 -0.0382 -0.0353 0.1484 0.1505 0.6228 0.6266 0.6356 0.6392 1.0391 1.0408 1.2797 1.2840 1.7432 1.7448 1.8845 1.8862 2.1251 2.1256 2.1290 2.1370 2.3526 2.3527 8.1486 8.1578 9.0900 9.1035 9.7613 9.7702 10.8413 10.8571 11.7954 11.8047 k = 0.4365 0.3986-0.0000 ( 4450 PWs) bands (ev): -16.0232 -16.0221 -15.6057 -15.6027 -15.0151 -15.0111 -14.4865 -14.4855 -14.4235 -14.4226 -14.3541 -14.3526 -6.0017 -5.9974 -4.8161 -4.8066 -3.5272 -3.5183 -2.3492 -2.3360 -2.2052 -2.1985 -1.3674 -1.3541 -0.2798 -0.2792 -0.0349 -0.0320 0.1357 0.1378 0.6157 0.6176 0.6293 0.6304 1.0517 1.0535 1.2601 1.2647 1.7467 1.7486 1.8851 1.8871 2.1270 2.1277 2.1307 2.1396 2.3551 2.3551 8.1697 8.1800 9.0728 9.0877 9.7625 9.7721 10.8633 10.8812 11.7713 11.7813 k = 0.4286 0.4124-0.0000 ( 4450 PWs) bands (ev): -16.0129 -16.0117 -15.6143 -15.6111 -15.0181 -15.0139 -14.4862 -14.4852 -14.4224 -14.4215 -14.3563 -14.3548 -6.0046 -6.0002 -4.7868 -4.7765 -3.5747 -3.5653 -2.3415 -2.3269 -2.1917 -2.1839 -1.3606 -1.3467 -0.2645 -0.2640 -0.0316 -0.0287 0.1220 0.1242 0.6068 0.6070 0.6233 0.6245 1.0638 1.0655 1.2397 1.2445 1.7509 1.7530 1.8849 1.8872 2.1290 2.1301 2.1329 2.1425 2.3575 2.3575 8.1934 8.2049 9.0535 9.0697 9.7638 9.7740 10.8883 10.9083 11.7450 11.7556 k = 0.4206 0.4261-0.0000 ( 4442 PWs) bands (ev): -16.0015 -16.0001 -15.6240 -15.6206 -15.0211 -15.0167 -14.4860 -14.4849 -14.4212 -14.4203 -14.3586 -14.3572 -6.0076 -6.0031 -4.7545 -4.7435 -3.6245 -3.6146 -2.3332 -2.3171 -2.1800 -2.1710 -1.3524 -1.3382 -0.2480 -0.2476 -0.0285 -0.0257 0.1075 0.1097 0.5966 0.5971 0.6170 0.6197 1.0750 1.0766 1.2190 1.2239 1.7557 1.7580 1.8840 1.8866 2.1312 2.1326 2.1355 2.1456 2.3599 2.3600 8.2197 8.2322 9.0321 9.0493 9.7654 9.7759 10.9162 10.9382 11.7169 11.7278 k = 0.4127 0.4399-0.0000 ( 4450 PWs) bands (ev): -15.9889 -15.9874 -15.6348 -15.6313 -15.0240 -15.0196 -14.4857 -14.4846 -14.4199 -14.4189 -14.3612 -14.3598 -6.0105 -6.0061 -4.7192 -4.7077 -3.6762 -3.6659 -2.3241 -2.3068 -2.1706 -2.1603 -1.3429 -1.3287 -0.2304 -0.2302 -0.0257 -0.0232 0.0926 0.0947 0.5868 0.5875 0.6109 0.6145 1.0852 1.0867 1.1985 1.2034 1.7611 1.7637 1.8823 1.8852 2.1335 2.1353 2.1383 2.1488 2.3622 2.3623 8.2484 8.2618 9.0084 9.0264 9.7670 9.7777 10.9470 10.9709 11.6872 11.6983 k = 0.4048 0.4536-0.0000 ( 4458 PWs) bands (ev): -15.9752 -15.9736 -15.6469 -15.6433 -15.0267 -15.0224 -14.4854 -14.4844 -14.4183 -14.4173 -14.3639 -14.3627 -6.0133 -6.0090 -4.6812 -4.6693 -3.7295 -3.7189 -2.3145 -2.2959 -2.1638 -2.1521 -1.3323 -1.3185 -0.2120 -0.2119 -0.0233 -0.0212 0.0775 0.0794 0.5780 0.5784 0.6046 0.6088 1.0942 1.0956 1.1787 1.1835 1.7671 1.7699 1.8799 1.8830 2.1359 2.1380 2.1413 2.1520 2.3644 2.3645 8.2795 8.2938 8.9825 9.0012 9.7687 9.7794 10.9806 11.0063 11.6561 11.6674 k = 0.3968 0.4674-0.0000 ( 4458 PWs) bands (ev): -15.9605 -15.9587 -15.6601 -15.6564 -15.0293 -15.0251 -14.4852 -14.4842 -14.4165 -14.4156 -14.3667 -14.3657 -6.0159 -6.0119 -4.6405 -4.6283 -3.7839 -3.7730 -2.3043 -2.2845 -2.1597 -2.1464 -1.3208 -1.3077 -0.1933 -0.1928 -0.0216 -0.0199 0.0624 0.0642 0.5702 0.5702 0.5980 0.6026 1.1018 1.1031 1.1601 1.1647 1.7737 1.7766 1.8768 1.8800 2.1383 2.1407 2.1443 2.1552 2.3664 2.3665 8.3128 8.3279 8.9544 8.9736 9.7705 9.7809 11.0168 11.0442 11.6241 11.6354 k = 0.3889 0.4811-0.0000 ( 4462 PWs) bands (ev): -15.9447 -15.9428 -15.6745 -15.6709 -15.0315 -15.0276 -14.4850 -14.4840 -14.4146 -14.4137 -14.3696 -14.3689 -6.0183 -6.0146 -4.5974 -4.5849 -3.8393 -3.8282 -2.2937 -2.2727 -2.1582 -2.1434 -1.3089 -1.2967 -0.1741 -0.1733 -0.0207 -0.0195 0.0476 0.0491 0.5629 0.5635 0.5913 0.5961 1.1080 1.1091 1.1432 1.1475 1.7807 1.7838 1.8730 1.8763 2.1406 2.1435 2.1471 2.1583 2.3682 2.3683 8.3483 8.3640 8.9241 8.9436 9.7724 9.7822 11.0555 11.0845 11.5912 11.6027 k = 0.3810 0.4949-0.0000 ( 4458 PWs) bands (ev): -15.9278 -15.9258 -15.6901 -15.6866 -15.0334 -15.0299 -14.4848 -14.4839 -14.4125 -14.4117 -14.3726 -14.3723 -6.0205 -6.0172 -4.5519 -4.5392 -3.8953 -3.8840 -2.2827 -2.2606 -2.1592 -2.1428 -1.2969 -1.2859 -0.1549 -0.1536 -0.0208 -0.0202 0.0333 0.0346 0.5567 0.5580 0.5845 0.5893 1.1122 1.1128 1.1292 1.1328 1.7881 1.7914 1.8687 1.8720 2.1429 2.1461 2.1498 2.1611 2.3697 2.3699 8.3858 8.4020 8.8916 8.9111 9.7742 9.7833 11.0966 11.1269 11.5579 11.5695 k = 0.3730 0.5086-0.0000 ( 4466 PWs) bands (ev): -15.9100 -15.9078 -15.7069 -15.7035 -15.0350 -15.0319 -14.4847 -14.4839 -14.4102 -14.4095 -14.3757 -14.3755 -6.0224 -6.0195 -4.5043 -4.4915 -3.9518 -3.9405 -2.2715 -2.2483 -2.1625 -2.1445 -1.2853 -1.2758 -0.1357 -0.1339 -0.0221 -0.0220 0.0199 0.0209 0.5516 0.5538 0.5778 0.5823 1.1099 1.1114 1.1229 1.1239 1.7957 1.7991 1.8638 1.8672 2.1451 2.1485 2.1522 2.1635 2.3710 2.3712 8.4251 8.4419 8.8567 8.8761 9.7760 9.7842 11.1397 11.1711 11.5244 11.5362 k = 0.3651 0.5224-0.0000 ( 4468 PWs) bands (ev): -15.8912 -15.8889 -15.7249 -15.7215 -15.0362 -15.0336 -14.4846 -14.4839 -14.4078 -14.4072 -14.3791 -14.3785 -6.0239 -6.0215 -4.4546 -4.4417 -4.0087 -3.9973 -2.2602 -2.2359 -2.1679 -2.1482 -1.2747 -1.2668 -0.1170 -0.1146 -0.0254 -0.0246 0.0076 0.0082 0.5477 0.5510 0.5713 0.5754 1.1010 1.1033 1.1237 1.1238 1.8035 1.8070 1.8584 1.8619 2.1471 2.1508 2.1540 2.1655 2.3721 2.3722 8.4663 8.4835 8.8196 8.8388 9.7778 9.7847 11.1847 11.2167 11.4911 11.5032 k = 0.3571 0.5361-0.0000 ( 4462 PWs) bands (ev): -15.8715 -15.8691 -15.7439 -15.7407 -15.0370 -15.0350 -14.4844 -14.4839 -14.4053 -14.4048 -14.3825 -14.3814 -6.0250 -6.0232 -4.4031 -4.3902 -4.0656 -4.0543 -2.2491 -2.2237 -2.1749 -2.1537 -1.2655 -1.2594 -0.0988 -0.0959 -0.0302 -0.0285 -0.0035 -0.0031 0.5450 0.5495 0.5656 0.5689 1.0932 1.0950 1.1251 1.1253 1.8113 1.8149 1.8527 1.8561 2.1490 2.1528 2.1554 2.1670 2.3729 2.3730 8.5091 8.5267 8.7803 8.7990 9.7794 9.7849 11.2310 11.2628 11.4581 11.4710 k = 0.3492 0.5499-0.0000 ( 4456 PWs) bands (ev): -15.8510 -15.8484 -15.7640 -15.7610 -15.0375 -15.0361 -14.4844 -14.4840 -14.4029 -14.4024 -14.3858 -14.3839 -6.0258 -6.0246 -4.3500 -4.3369 -4.1225 -4.1115 -2.2384 -2.2119 -2.1830 -2.1605 -1.2581 -1.2540 -0.0817 -0.0782 -0.0365 -0.0337 -0.0131 -0.0128 0.5434 0.5493 0.5608 0.5631 1.0875 1.0888 1.1261 1.1263 1.8190 1.8225 1.8467 1.8501 2.1506 2.1544 2.1561 2.1680 2.3735 2.3736 8.5534 8.5713 8.7388 8.7567 9.7809 9.7848 11.2777 11.3076 11.4259 11.4401 k = 0.3413 0.5636-0.0000 ( 4456 PWs) bands (ev): -15.8297 -15.8269 -15.7851 -15.7823 -15.0376 -15.0369 -14.4843 -14.4841 -14.4009 -14.4005 -14.3884 -14.3859 -6.0262 -6.0255 -4.2959 -4.2821 -4.1789 -4.1687 -2.2294 -2.2015 -2.1911 -2.1675 -1.2530 -1.2509 -0.0661 -0.0625 -0.0443 -0.0398 -0.0206 -0.0203 0.5425 0.5503 0.5576 0.5584 1.0843 1.0849 1.1267 1.1268 1.8263 1.8298 1.8404 1.8438 2.1519 2.1555 2.1562 2.1685 2.3738 2.3739 8.5987 8.6172 8.6954 8.7121 9.7822 9.7843 11.3231 11.3462 11.3947 11.4125 k = 0.3333 0.5774-0.0000 ( 4452 PWs) bands (ev): -15.8103 -15.8049 -15.8043 -15.8043 -15.0374 -15.0374 -14.4842 -14.4842 -14.3998 -14.3998 -14.3895 -14.3867 -6.0261 -6.0261 -4.2520 -4.2282 -4.2234 -4.2234 -2.2251 -2.1958 -2.1958 -2.1713 -1.2506 -1.2506 -0.0537 -0.0536 -0.0536 -0.0441 -0.0240 -0.0240 0.5423 0.5513 0.5563 0.5563 1.0834 1.0834 1.1270 1.1270 1.8316 1.8354 1.8354 1.8385 2.1525 2.1560 2.1560 2.1687 2.3740 2.3740 8.6354 8.6596 8.6596 8.6698 9.7834 9.7834 11.3610 11.3610 11.3674 11.3991 k = 0.3333 0.5774-0.0000 ( 4452 PWs) bands (ev): -15.8103 -15.8049 -15.8043 -15.8043 -15.0374 -15.0374 -14.4842 -14.4842 -14.3998 -14.3998 -14.3895 -14.3867 -6.0261 -6.0261 -4.2520 -4.2282 -4.2234 -4.2234 -2.2251 -2.1958 -2.1958 -2.1713 -1.2506 -1.2506 -0.0537 -0.0536 -0.0536 -0.0441 -0.0240 -0.0240 0.5423 0.5513 0.5563 0.5563 1.0834 1.0834 1.1270 1.1270 1.8316 1.8354 1.8354 1.8385 2.1525 2.1560 2.1560 2.1687 2.3740 2.3740 8.6354 8.6596 8.6596 8.6698 9.7834 9.7834 11.3610 11.3610 11.3674 11.3991 k = 0.3254 0.5636-0.0000 ( 4456 PWs) bands (ev): -15.8304 -15.8277 -15.7842 -15.7816 -15.0376 -15.0369 -14.4843 -14.4841 -14.4012 -14.4002 -14.3884 -14.3859 -6.0262 -6.0255 -4.2964 -4.2828 -4.1781 -4.1682 -2.2298 -2.1998 -2.1929 -2.1670 -1.2532 -1.2510 -0.0644 -0.0596 -0.0478 -0.0432 -0.0203 -0.0182 0.5426 0.5504 0.5573 0.5586 1.0843 1.0848 1.1268 1.1269 1.8264 1.8300 1.8403 1.8435 2.1516 2.1557 2.1563 2.1686 2.3738 2.3739 8.5973 8.6149 8.6977 8.7135 9.7822 9.7844 11.3359 11.3431 11.3922 11.4006 k = 0.3175 0.5499-0.0000 ( 4464 PWs) bands (ev): -15.8540 -15.8516 -15.7608 -15.7579 -15.0376 -15.0362 -14.4843 -14.4840 -14.4038 -14.4017 -14.3859 -14.3836 -6.0258 -6.0245 -4.3521 -4.3395 -4.1201 -4.1096 -2.2404 -2.2095 -2.1854 -2.1582 -1.2589 -1.2545 -0.0765 -0.0701 -0.0474 -0.0444 -0.0103 -0.0064 0.5435 0.5499 0.5602 0.5633 1.0873 1.0883 1.1265 1.1267 1.8195 1.8231 1.8460 1.8491 2.1492 2.1541 2.1569 2.1686 2.3735 2.3736 8.5470 8.5631 8.7467 8.7628 9.7806 9.7851 11.3094 11.3194 11.3928 11.4014 k = 0.3095 0.5361-0.0000 ( 4464 PWs) bands (ev): -15.8784 -15.8762 -15.7366 -15.7336 -15.0374 -15.0352 -14.4843 -14.4838 -14.4068 -14.4037 -14.3827 -14.3804 -6.0250 -6.0230 -4.4082 -4.3960 -4.0603 -4.0499 -2.2531 -2.2212 -2.1768 -2.1487 -1.2679 -1.2613 -0.0897 -0.0821 -0.0480 -0.0452 0.0016 0.0063 0.5453 0.5508 0.5648 0.5692 1.0924 1.0937 1.1264 1.1265 1.8125 1.8161 1.8510 1.8539 2.1457 2.1514 2.1578 2.1688 2.3729 2.3732 8.4939 8.5090 8.7972 8.8131 9.7787 9.7857 11.2848 11.2965 11.3787 11.3965 k = 0.3016 0.5224-0.0000 ( 4458 PWs) bands (ev): -15.9033 -15.9013 -15.7119 -15.7088 -15.0370 -15.0341 -14.4843 -14.4835 -14.4098 -14.4059 -14.3792 -14.3769 -6.0236 -6.0211 -4.4640 -4.4521 -3.9995 -3.9893 -2.2669 -2.2339 -2.1682 -2.1395 -1.2801 -1.2713 -0.1038 -0.0952 -0.0477 -0.0446 0.0137 0.0188 0.5483 0.5531 0.5706 0.5761 1.0993 1.1007 1.1266 1.1266 1.8053 1.8091 1.8551 1.8577 2.1410 2.1473 2.1586 2.1692 2.3722 2.3727 8.4385 8.4525 8.8487 8.8643 9.7767 9.7862 11.2625 11.2755 11.3627 11.3855 k = 0.2937 0.5086-0.0000 ( 4458 PWs) bands (ev): -15.9288 -15.9270 -15.6868 -15.6835 -15.0366 -15.0329 -14.4842 -14.4832 -14.4127 -14.4080 -14.3754 -14.3730 -6.0218 -6.0186 -4.5195 -4.5079 -3.9379 -3.9279 -2.2813 -2.2471 -2.1603 -2.1311 -1.2957 -1.2847 -0.1185 -0.1090 -0.0460 -0.0423 0.0256 0.0309 0.5524 0.5567 0.5774 0.5837 1.1077 1.1087 1.1270 1.1275 1.7982 1.8020 1.8582 1.8605 2.1354 2.1421 2.1596 2.1698 2.3714 2.3719 8.3808 8.3937 8.9011 8.9162 9.7745 9.7866 11.2425 11.2568 11.3469 11.3730 k = 0.2857 0.4949-0.0000 ( 4458 PWs) bands (ev): -15.9547 -15.9531 -15.6611 -15.6578 -15.0360 -15.0316 -14.4839 -14.4827 -14.4154 -14.4100 -14.3715 -14.3689 -6.0195 -6.0157 -4.5746 -4.5632 -3.8756 -3.8658 -2.2959 -2.2606 -2.1532 -2.1235 -1.3144 -1.3012 -0.1336 -0.1232 -0.0430 -0.0386 0.0372 0.0425 0.5574 0.5616 0.5851 0.5920 1.1165 1.1169 1.1286 1.1305 1.7910 1.7951 1.8602 1.8620 2.1287 2.1358 2.1606 2.1706 2.3703 2.3710 8.3209 8.3328 8.9540 8.9685 9.7723 9.7870 11.2251 11.2405 11.3323 11.3607 k = 0.2778 0.4811-0.0000 ( 4462 PWs) bands (ev): -15.9809 -15.9794 -15.6352 -15.6318 -15.0354 -15.0303 -14.4835 -14.4821 -14.4179 -14.4119 -14.3675 -14.3647 -6.0167 -6.0123 -4.6292 -4.6181 -3.8127 -3.8032 -2.3107 -2.2743 -2.1469 -2.1169 -1.3361 -1.3208 -0.1486 -0.1374 -0.0387 -0.0334 0.0488 0.0539 0.5631 0.5674 0.5935 0.6008 1.1215 1.1238 1.1342 1.1379 1.7839 1.7882 1.8609 1.8622 2.1211 2.1285 2.1619 2.1716 2.3692 2.3700 8.2588 8.2697 9.0075 9.0213 9.7702 9.7875 11.2101 11.2266 11.3193 11.3495 k = 0.2698 0.4674-0.0000 ( 4460 PWs) bands (ev): -16.0074 -16.0061 -15.6090 -15.6055 -15.0348 -15.0290 -14.4830 -14.4814 -14.4201 -14.4134 -14.3633 -14.3604 -6.0135 -6.0085 -4.6833 -4.6724 -3.7493 -3.7402 -2.3255 -2.2881 -2.1417 -2.1115 -1.3606 -1.3433 -0.1635 -0.1514 -0.0332 -0.0271 0.0606 0.0653 0.5693 0.5738 0.6025 0.6101 1.1241 1.1266 1.1455 1.1492 1.7769 1.7815 1.8601 1.8609 2.1125 2.1203 2.1634 2.1729 2.3678 2.3688 8.1947 8.2046 9.0613 9.0744 9.7685 9.7883 11.1977 11.2153 11.3083 11.3398 k = 0.2619 0.4536-0.0000 ( 4462 PWs) bands (ev): -16.0340 -16.0328 -15.5826 -15.5790 -15.0342 -15.0278 -14.4823 -14.4805 -14.4220 -14.4147 -14.3591 -14.3559 -6.0097 -6.0042 -4.7369 -4.7262 -3.6856 -3.6769 -2.3402 -2.3019 -2.1376 -2.1072 -1.3876 -1.3685 -0.1779 -0.1650 -0.0270 -0.0200 0.0726 0.0768 0.5757 0.5807 0.6122 0.6199 1.1261 1.1286 1.1591 1.1624 1.7701 1.7751 1.8580 1.8581 2.1031 2.1111 2.1653 2.1746 2.3663 2.3674 8.1286 8.1376 9.1153 9.1277 9.7673 9.7895 11.1878 11.2064 11.2992 11.3317 k = 0.2540 0.4399-0.0000 ( 4464 PWs) bands (ev): -16.0607 -16.0596 -15.5561 -15.5524 -15.0337 -15.0267 -14.4814 -14.4794 -14.4236 -14.4158 -14.3547 -14.3514 -6.0055 -5.9995 -4.7898 -4.7795 -3.6217 -3.6133 -2.3548 -2.3156 -2.1346 -2.1041 -1.4170 -1.3960 -0.1915 -0.1779 -0.0202 -0.0123 0.0850 0.0888 0.5821 0.5877 0.6225 0.6303 1.1283 1.1308 1.1738 1.1767 1.7635 1.7689 1.8537 1.8542 2.0929 2.1012 2.1676 2.1766 2.3646 2.3659 8.0605 8.0686 9.1694 9.1809 9.7667 9.7912 11.1804 11.1997 11.2922 11.3254 k = 0.2460 0.4261-0.0000 ( 4464 PWs) bands (ev): -16.0874 -16.0864 -15.5295 -15.5258 -15.0333 -15.0258 -14.4803 -14.4780 -14.4248 -14.4165 -14.3504 -14.3468 -6.0009 -5.9943 -4.8421 -4.8321 -3.5577 -3.5497 -2.3692 -2.3293 -2.1327 -2.1022 -1.4483 -1.4256 -0.2043 -0.1899 -0.0132 -0.0045 0.0979 0.1012 0.5882 0.5946 0.6337 0.6413 1.1308 1.1333 1.1892 1.1918 1.7571 1.7630 1.8477 1.8488 2.0819 2.0906 2.1704 2.1791 2.3628 2.3641 7.9907 7.9979 9.2234 9.2340 9.7671 9.7937 11.1752 11.1952 11.2873 11.3208 k = 0.2381 0.4124-0.0000 ( 4456 PWs) bands (ev): -16.1139 -16.1131 -15.5031 -15.4993 -15.0330 -15.0250 -14.4789 -14.4765 -14.4257 -14.4169 -14.3459 -14.3421 -5.9958 -5.9888 -4.8937 -4.8840 -3.4937 -3.4860 -2.3834 -2.3427 -2.1320 -2.1015 -1.4813 -1.4570 -0.2160 -0.2010 -0.0061 0.0033 0.1113 0.1141 0.5939 0.6010 0.6458 0.6532 1.1337 1.1363 1.2052 1.2074 1.7511 1.7575 1.8400 1.8418 2.0703 2.0793 2.1737 2.1821 2.3607 2.3622 7.9191 7.9255 9.2771 9.2868 9.7686 9.7970 11.1722 11.1927 11.2844 11.3180 k = 0.2302 0.3986-0.0000 ( 4464 PWs) bands (ev): -16.1403 -16.1396 -15.4767 -15.4730 -15.0329 -15.0245 -14.4773 -14.4747 -14.4262 -14.4169 -14.3414 -14.3374 -5.9903 -5.9829 -4.9447 -4.9353 -3.4298 -3.4224 -2.3974 -2.3561 -2.1323 -2.1020 -1.5156 -1.4899 -0.2265 -0.2109 0.0007 0.0106 0.1250 0.1275 0.5988 0.6069 0.6590 0.6661 1.1371 1.1398 1.2214 1.2233 1.7454 1.7525 1.8306 1.8332 2.0581 2.0676 2.1774 2.1855 2.3585 2.3601 7.8459 7.8515 9.3304 9.3393 9.7713 9.8015 11.1711 11.1920 11.2834 11.3168 k = 0.2222 0.3849-0.0000 ( 4466 PWs) bands (ev): -16.1665 -16.1658 -15.4507 -15.4469 -15.0329 -15.0242 -14.4754 -14.4726 -14.4263 -14.4167 -14.3369 -14.3327 -5.9844 -5.9766 -4.9948 -4.9858 -3.3661 -3.3590 -2.4111 -2.3692 -2.1338 -2.1036 -1.5509 -1.5238 -0.2358 -0.2196 0.0072 0.0174 0.1389 0.1410 0.6029 0.6120 0.6735 0.6801 1.1413 1.1440 1.2376 1.2392 1.7401 1.7479 1.8196 1.8229 2.0456 2.0554 2.1815 2.1894 2.3561 2.3578 7.7712 7.7762 9.3832 9.3911 9.7756 9.8072 11.1717 11.1928 11.2841 11.3172 k = 0.2143 0.3712-0.0000 ( 4474 PWs) bands (ev): -16.1923 -16.1917 -15.4249 -15.4211 -15.0331 -15.0241 -14.4732 -14.4701 -14.4260 -14.4161 -14.3323 -14.3279 -5.9782 -5.9701 -5.0442 -5.0355 -3.3026 -3.2959 -2.4245 -2.3823 -2.1362 -2.1064 -1.5869 -1.5587 -0.2437 -0.2270 0.0132 0.0236 0.1525 0.1545 0.6061 0.6161 0.6892 0.6953 1.1463 1.1491 1.2535 1.2548 1.7353 1.7439 1.8070 1.8110 2.0327 2.0430 2.1861 2.1936 2.3536 2.3553 7.6952 7.6996 9.4352 9.4422 9.7815 9.8143 11.1738 11.1950 11.2864 11.3189 k = 0.2063 0.3574-0.0000 ( 4482 PWs) bands (ev): -16.2177 -16.2172 -15.3996 -15.3958 -15.0336 -15.0243 -14.4707 -14.4674 -14.4253 -14.4152 -14.3277 -14.3231 -5.9717 -5.9633 -5.0927 -5.0844 -3.2396 -3.2331 -2.4377 -2.3951 -2.1397 -2.1101 -1.6232 -1.5940 -0.2501 -0.2329 0.0186 0.0290 0.1656 0.1675 0.6082 0.6191 0.7062 0.7118 1.1524 1.1553 1.2690 1.2700 1.7311 1.7405 1.7929 1.7976 2.0197 2.0305 2.1910 2.1983 2.3508 2.3526 7.6181 7.6219 9.4863 9.4925 9.7892 9.8229 11.1773 11.1983 11.2901 11.3219 k = 0.1984 0.3437-0.0000 ( 4480 PWs) bands (ev): -16.2427 -16.2423 -15.3748 -15.3710 -15.0342 -15.0247 -14.4679 -14.4644 -14.4242 -14.4140 -14.3231 -14.3183 -5.9649 -5.9562 -5.1403 -5.1323 -3.1770 -3.1708 -2.4506 -2.4078 -2.1440 -2.1148 -1.6597 -1.6296 -0.2549 -0.2374 0.0234 0.0337 0.1779 0.1798 0.6091 0.6210 0.7243 0.7293 1.1600 1.1629 1.2838 1.2845 1.7276 1.7378 1.7774 1.7828 2.0066 2.0179 2.1961 2.2031 2.3479 2.3498 7.5400 7.5433 9.5364 9.5418 9.7987 9.8331 11.1817 11.2026 11.2950 11.3261 k = 0.1905 0.3299-0.0000 ( 4480 PWs) bands (ev): -16.2671 -16.2668 -15.3506 -15.3469 -15.0349 -15.0254 -14.4647 -14.4610 -14.4228 -14.4125 -14.3185 -14.3135 -5.9578 -5.9489 -5.1869 -5.1793 -3.1149 -3.1091 -2.4632 -2.4204 -2.1491 -2.1204 -1.6959 -1.6651 -0.2583 -0.2404 0.0276 0.0377 0.1892 0.1912 0.6088 0.6216 0.7434 0.7476 1.1695 1.1724 1.2975 1.2980 1.7247 1.7359 1.7606 1.7666 1.9937 2.0056 2.2015 2.2082 2.3448 2.3467 7.4611 7.4640 9.5852 9.5899 9.8102 9.8450 11.1871 11.2078 11.3009 11.3312 k = 0.1825 0.3162-0.0000 ( 4480 PWs) bands (ev): -16.2910 -16.2907 -15.3271 -15.3234 -15.0359 -15.0263 -14.4612 -14.4573 -14.4211 -14.4108 -14.3138 -14.3086 -5.9505 -5.9415 -5.2325 -5.2253 -3.0536 -3.0481 -2.4755 -2.4329 -2.1548 -2.1267 -1.7316 -1.7003 -0.2600 -0.2419 0.0311 0.0408 0.1991 0.2013 0.6072 0.6209 0.7629 0.7664 1.1815 1.1843 1.3099 1.3103 1.7227 1.7347 1.7428 1.7492 1.9810 1.9935 2.2069 2.2134 2.3416 2.3436 7.3816 7.3841 9.6326 9.6366 9.8237 9.8586 11.1931 11.2136 11.3075 11.3371 k = 0.1746 0.3024-0.0000 ( 4482 PWs) bands (ev): -16.3143 -16.3140 -15.3044 -15.3007 -15.0371 -15.0275 -14.4574 -14.4533 -14.4190 -14.4087 -14.3092 -14.3038 -5.9431 -5.9339 -5.2771 -5.2702 -2.9930 -2.9879 -2.4876 -2.4454 -2.1612 -2.1336 -1.7667 -1.7350 -0.2601 -0.2417 0.0339 0.0431 0.2077 0.2100 0.6043 0.6188 0.7824 0.7850 1.1964 1.1990 1.3207 1.3211 1.7213 1.7233 1.7310 1.7351 1.9687 1.9818 2.2124 2.2186 2.3383 2.3402 7.3018 7.3040 9.6784 9.6819 9.8391 9.8738 11.1998 11.2200 11.3148 11.3437 k = 0.1667 0.2887-0.0000 ( 4476 PWs) bands (ev): -16.3368 -16.3366 -15.2825 -15.2789 -15.0384 -15.0288 -14.4532 -14.4490 -14.4167 -14.4065 -14.3045 -14.2989 -5.9355 -5.9263 -5.3204 -5.3140 -2.9334 -2.9286 -2.4994 -2.4577 -2.1681 -2.1411 -1.8007 -1.7689 -0.2586 -0.2400 0.0359 0.0446 0.2148 0.2172 0.6001 0.6154 0.8013 0.8029 1.2147 1.2171 1.3299 1.3301 1.7034 1.7105 1.7222 1.7359 1.9569 1.9706 2.2178 2.2238 2.3349 2.3368 7.2219 7.2237 9.7224 9.7255 9.8565 9.8905 11.2069 11.2268 11.3225 11.3508 k = 0.1587 0.2749-0.0000 ( 4478 PWs) bands (ev): -16.3587 -16.3585 -15.2615 -15.2580 -15.0398 -15.0304 -14.4487 -14.4444 -14.4141 -14.4041 -14.2998 -14.2941 -5.9278 -5.9186 -5.3626 -5.3565 -2.8747 -2.8705 -2.5108 -2.4700 -2.1754 -2.1491 -1.8336 -1.8018 -0.2555 -0.2367 0.0372 0.0454 0.2203 0.2229 0.5946 0.6105 0.8190 0.8197 1.2367 1.2390 1.3371 1.3372 1.6825 1.6904 1.7230 1.7379 1.9457 1.9600 2.2230 2.2288 2.3314 2.3333 7.1421 7.1437 9.7644 9.7673 9.8756 9.9088 11.2146 11.2342 11.3305 11.3584 k = 0.1508 0.2612-0.0000 ( 4474 PWs) bands (ev): -16.3797 -16.3795 -15.2415 -15.2381 -15.0414 -15.0322 -14.4440 -14.4395 -14.4113 -14.4015 -14.2951 -14.2893 -5.9201 -5.9109 -5.4034 -5.3977 -2.8173 -2.8136 -2.5218 -2.4823 -2.1830 -2.1573 -1.8652 -1.8336 -0.2507 -0.2318 0.0378 0.0454 0.2243 0.2270 0.5877 0.6042 0.8351 0.8354 1.2627 1.2647 1.3423 1.3424 1.6610 1.6693 1.7252 1.7409 1.9353 1.9502 2.2282 2.2338 2.3279 2.3298 7.0628 7.0641 9.8041 9.8071 9.8965 9.9283 11.2228 11.2420 11.3388 11.3663 k = 0.1429 0.2474-0.0000 ( 4482 PWs) bands (ev): -16.3999 -16.3998 -15.2225 -15.2192 -15.0430 -15.0340 -14.4391 -14.4345 -14.4083 -14.3988 -14.2904 -14.2845 -5.9124 -5.9033 -5.4428 -5.4375 -2.7612 -2.7584 -2.5321 -2.4944 -2.1908 -2.1658 -1.8952 -1.8642 -0.2443 -0.2254 0.0376 0.0447 0.2268 0.2296 0.5795 0.5965 0.8489 0.8502 1.2923 1.2940 1.3455 1.3456 1.6389 1.6475 1.7285 1.7450 1.9256 1.9411 2.2331 2.2385 2.3244 2.3262 6.9841 6.9852 9.8415 9.8448 9.9188 9.9489 11.2316 11.2503 11.3474 11.3746 k = 0.1349 0.2337-0.0000 ( 4495 PWs) bands (ev): -16.4193 -16.4192 -15.2046 -15.2014 -15.0447 -15.0361 -14.4339 -14.4293 -14.4051 -14.3960 -14.2858 -14.2798 -5.9047 -5.8958 -5.4808 -5.4758 -2.7067 -2.7055 -2.5412 -2.5063 -2.1987 -2.1744 -1.9236 -1.8933 -0.2364 -0.2174 0.0368 0.0434 0.2277 0.2306 0.5700 0.5874 0.8612 0.8635 1.3246 1.3263 1.3470 1.3474 1.6165 1.6254 1.7329 1.7501 1.9168 1.9328 2.2378 2.2429 2.3209 2.3226 6.9064 6.9073 9.8763 9.8801 9.9424 9.9703 11.2412 11.2594 11.3563 11.3832 k = 0.1270 0.2199-0.0000 ( 4495 PWs) bands (ev): -16.4377 -16.4376 -15.1878 -15.1848 -15.0465 -15.0382 -14.4287 -14.4241 -14.4017 -14.3931 -14.2811 -14.2751 -5.8971 -5.8884 -5.5173 -5.5126 -2.6565 -2.6543 -2.5477 -2.5177 -2.2065 -2.1830 -1.9502 -1.9209 -0.2269 -0.2079 0.0354 0.0414 0.2271 0.2300 0.5591 0.5769 0.8724 0.8756 1.3436 1.3446 1.3631 1.3633 1.5942 1.6032 1.7383 1.7560 1.9088 1.9252 2.2423 2.2471 2.3175 2.3191 6.8300 6.8308 9.9085 9.9131 9.9669 9.9923 11.2516 11.2692 11.3655 11.3922 k = 0.1190 0.2062-0.0000 ( 4501 PWs) bands (ev): -16.4552 -16.4552 -15.1721 -15.1692 -15.0483 -15.0403 -14.4233 -14.4188 -14.3983 -14.3901 -14.2764 -14.2704 -5.8897 -5.8812 -5.5521 -5.5478 -2.6174 -2.6052 -2.5458 -2.5275 -2.2142 -2.1914 -1.9751 -1.9469 -0.2159 -0.1970 0.0334 0.0390 0.2251 0.2278 0.5470 0.5651 0.8829 0.8869 1.3421 1.3427 1.3992 1.3993 1.5725 1.5814 1.7445 1.7627 1.9016 1.9185 2.2465 2.2511 2.3142 2.3157 6.7553 6.7560 9.9382 9.9435 9.9917 10.0145 11.2632 11.2800 11.3750 11.4015 k = 0.1111 0.1925-0.0000 ( 4493 PWs) bands (ev): -16.4718 -16.4717 -15.1575 -15.1548 -15.0501 -15.0425 -14.4180 -14.4136 -14.3948 -14.3872 -14.2717 -14.2658 -5.8824 -5.8742 -5.5851 -5.5812 -2.6009 -2.5678 -2.5276 -2.5229 -2.2218 -2.1996 -1.9980 -1.9711 -0.2035 -0.1847 0.0310 0.0362 0.2215 0.2242 0.5338 0.5519 0.8930 0.8979 1.3384 1.3389 1.4348 1.4357 1.5533 1.5614 1.7514 1.7699 1.8952 1.9125 2.2505 2.2549 2.3110 2.3124 6.6826 6.6832 9.9655 9.9715 10.0162 10.0366 11.2760 11.2919 11.3849 11.4111 k = 0.1032 0.1787-0.0000 ( 4501 PWs) bands (ev): -16.4873 -16.4872 -15.1441 -15.1416 -15.0519 -15.0447 -14.4127 -14.4086 -14.3912 -14.3843 -14.2671 -14.2613 -5.8754 -5.8676 -5.6164 -5.6128 -2.6018 -2.5638 -2.4963 -2.4842 -2.2289 -2.2073 -2.0190 -1.9937 -0.1898 -0.1712 0.0283 0.0331 0.2166 0.2191 0.5193 0.5376 0.9032 0.9088 1.3333 1.3339 1.4622 1.4660 1.5428 1.5483 1.7587 1.7775 1.8895 1.9071 2.2543 2.2584 2.3079 2.3092 6.6123 6.6128 9.9908 9.9969 10.0399 10.0580 11.2902 11.3050 11.3952 11.4209 k = 0.0952 0.1650-0.0000 ( 4493 PWs) bands (ev): -16.5018 -16.5017 -15.1318 -15.1294 -15.0536 -15.0469 -14.4076 -14.4038 -14.3875 -14.3814 -14.2625 -14.2569 -5.8686 -5.8612 -5.6458 -5.6425 -2.6080 -2.5725 -2.4547 -2.4424 -2.2355 -2.2143 -2.0381 -2.0145 -0.1749 -0.1565 0.0254 0.0298 0.2105 0.2127 0.5038 0.5220 0.9137 0.9199 1.3274 1.3281 1.4672 1.4758 1.5550 1.5558 1.7664 1.7853 1.8845 1.9024 2.2579 2.2617 2.3050 2.3062 6.5448 6.5452 10.0140 10.0200 10.0623 10.0785 11.3059 11.3194 11.4060 11.4311 k = 0.0873 0.1512-0.0000 ( 4501 PWs) bands (ev): -16.5152 -16.5152 -15.1206 -15.1184 -15.0553 -15.0491 -14.4027 -14.3994 -14.3839 -14.3786 -14.2581 -14.2526 -5.8622 -5.8552 -5.6731 -5.6702 -2.6153 -2.5829 -2.4142 -2.4017 -2.2414 -2.2203 -2.0553 -2.0336 -0.1589 -0.1409 0.0223 0.0265 0.2032 0.2052 0.4874 0.5055 0.9247 0.9316 1.3209 1.3216 1.4531 1.4635 1.5847 1.5857 1.7741 1.7930 1.8802 1.8982 2.2613 2.2649 2.3023 2.3034 6.4804 6.4808 10.0353 10.0408 10.0830 10.0976 11.3230 11.3352 11.4172 11.4414 k = 0.0794 0.1375-0.0000 ( 4497 PWs) bands (ev): -16.5275 -16.5275 -15.1105 -15.1085 -15.0569 -15.0512 -14.3981 -14.3952 -14.3803 -14.3758 -14.2537 -14.2486 -5.8561 -5.8496 -5.6985 -5.6958 -2.6229 -2.5934 -2.3770 -2.3638 -2.2460 -2.2248 -2.0705 -2.0508 -0.1420 -0.1244 0.0193 0.0231 0.1950 0.1968 0.4702 0.4881 0.9365 0.9438 1.3142 1.3149 1.4328 1.4436 1.6201 1.6215 1.7819 1.8006 1.8764 1.8945 2.2646 2.2679 2.2999 2.3008 6.4197 6.4200 10.0546 10.0593 10.1018 10.1151 11.3414 11.3522 11.4286 11.4519 k = 0.0714 0.1237-0.0000 ( 4497 PWs) bands (ev): -16.5388 -16.5387 -15.1015 -15.0997 -15.0583 -15.0531 -14.3938 -14.3915 -14.3769 -14.3732 -14.2495 -14.2447 -5.8505 -5.8445 -5.7216 -5.7192 -2.6302 -2.6036 -2.3445 -2.3302 -2.2483 -2.2269 -2.0838 -2.0662 -0.1243 -0.1073 0.0163 0.0199 0.1862 0.1877 0.4525 0.4699 0.9491 0.9567 1.3074 1.3081 1.4108 1.4217 1.6559 1.6574 1.7895 1.8079 1.8732 1.8912 2.2678 2.2707 2.2977 2.2984 6.3630 6.3632 10.0719 10.0757 10.1188 10.1309 11.3608 11.3702 11.4403 11.4622 k = 0.0635 0.1100-0.0000 ( 4495 PWs) bands (ev): -16.5488 -16.5488 -15.0935 -15.0919 -15.0596 -15.0550 -14.3899 -14.3882 -14.3736 -14.3707 -14.2455 -14.2411 -5.8452 -5.8399 -5.7426 -5.7404 -2.6369 -2.6132 -2.3186 -2.3043 -2.2454 -2.2251 -2.0952 -2.0799 -0.1062 -0.0899 0.0134 0.0169 0.1771 0.1783 0.4344 0.4513 0.9623 0.9702 1.3008 1.3014 1.3885 1.3992 1.6899 1.6917 1.7970 1.8148 1.8705 1.8882 2.2708 2.2734 2.2957 2.2963 6.3108 6.3110 10.0871 10.0900 10.1338 10.1447 11.3809 11.3888 11.4520 11.4723 k = 0.0556 0.0962-0.0000 ( 4497 PWs) bands (ev): -16.5578 -16.5578 -15.0865 -15.0851 -15.0608 -15.0567 -14.3865 -14.3852 -14.3705 -14.3684 -14.2418 -14.2378 -5.8405 -5.8357 -5.7612 -5.7593 -2.6430 -2.6222 -2.3014 -2.2905 -2.2335 -2.2177 -2.1046 -2.0916 -0.0878 -0.0725 0.0108 0.0141 0.1680 0.1689 0.4164 0.4326 0.9761 0.9842 1.2945 1.2952 1.3665 1.3770 1.7213 1.7234 1.8044 1.8212 1.8683 1.8855 2.2738 2.2760 2.2940 2.2944 6.2634 6.2636 10.1003 10.1024 10.1468 10.1566 11.4011 11.4076 11.4635 11.4820 k = 0.0476 0.0825-0.0000 ( 4501 PWs) bands (ev): -16.5656 -16.5656 -15.0806 -15.0793 -15.0618 -15.0583 -14.3835 -14.3827 -14.3678 -14.3663 -14.2384 -14.2349 -5.8363 -5.8321 -5.7775 -5.7759 -2.6482 -2.6304 -2.2926 -2.2866 -2.2147 -2.2052 -2.1118 -2.1014 -0.0697 -0.0556 0.0085 0.0117 0.1591 0.1598 0.3989 0.4140 0.9903 0.9982 1.2888 1.2895 1.3454 1.3554 1.7490 1.7516 1.8116 1.8268 1.8667 1.8830 2.2765 2.2784 2.2927 2.2928 6.2214 6.2215 10.1114 10.1128 10.1581 10.1666 11.4208 11.4258 11.4747 11.4910 k = 0.0397 0.0687-0.0000 ( 4505 PWs) bands (ev): -16.5722 -16.5722 -15.0755 -15.0745 -15.0626 -15.0597 -14.3810 -14.3805 -14.3654 -14.3644 -14.2353 -14.2323 -5.8326 -5.8291 -5.7914 -5.7900 -2.6526 -2.6378 -2.2894 -2.2867 -2.1957 -2.1910 -2.1168 -2.1091 -0.0522 -0.0398 0.0065 0.0097 0.1509 0.1514 0.3824 0.3961 1.0045 1.0121 1.2838 1.2844 1.3255 1.3349 1.7724 1.7758 1.8189 1.8317 1.8657 1.8806 2.2791 2.2804 2.2916 2.2916 6.1850 6.1851 10.1206 10.1214 10.1675 10.1748 11.4392 11.4428 11.4854 11.4991 k = 0.0317 0.0550-0.0000 ( 4505 PWs) bands (ev): -16.5776 -16.5776 -15.0714 -15.0706 -15.0632 -15.0609 -14.3790 -14.3788 -14.3634 -14.3628 -14.2327 -14.2303 -5.8294 -5.8267 -5.8028 -5.8016 -2.6561 -2.6442 -2.2888 -2.2879 -2.1798 -2.1785 -2.1192 -2.1143 -0.0359 -0.0257 0.0050 0.0083 0.1437 0.1440 0.3675 0.3795 1.0181 1.0251 1.2795 1.2802 1.3075 1.3161 1.7907 1.7954 1.8267 1.8360 1.8655 1.8784 2.2812 2.2821 2.2907 2.2909 6.1548 6.1548 10.1280 10.1284 10.1752 10.1811 11.4554 11.4577 11.4953 11.5062 k = 0.0238 0.0412-0.0000 ( 4505 PWs) bands (ev): -16.5818 -16.5818 -15.0683 -15.0676 -15.0637 -15.0620 -14.3775 -14.3774 -14.3618 -14.3614 -14.2305 -14.2287 -5.8269 -5.8249 -5.8116 -5.8107 -2.6585 -2.6495 -2.2894 -2.2892 -2.1694 -2.1686 -2.1190 -2.1167 -0.0216 -0.0144 0.0039 0.0075 0.1377 0.1379 0.3551 0.3648 1.0307 1.0366 1.2761 1.2768 1.2923 1.2995 1.8039 1.8097 1.8346 1.8397 1.8660 1.8762 2.2829 2.2833 2.2902 2.2906 6.1309 6.1309 10.1335 10.1337 10.1813 10.1858 11.4686 11.4698 11.5040 11.5120 k = 0.0159 0.0275-0.0000 ( 4505 PWs) bands (ev): -16.5849 -16.5849 -15.0660 -15.0655 -15.0639 -15.0628 -14.3764 -14.3764 -14.3607 -14.3605 -14.2288 -14.2276 -5.8250 -5.8238 -5.8179 -5.8172 -2.6598 -2.6538 -2.2903 -2.2902 -2.1640 -2.1624 -2.1172 -2.1165 -0.0102 -0.0067 0.0034 0.0076 0.1333 0.1333 0.3460 0.3529 1.0412 1.0456 1.2736 1.2743 1.2806 1.2862 1.8126 1.8182 1.8417 1.8435 1.8672 1.8741 2.2839 2.2841 2.2901 2.2905 6.1136 6.1136 10.1374 10.1374 10.1858 10.1888 11.4784 11.4788 11.5111 11.5162 k = 0.0079 0.0137-0.0000 ( 4501 PWs) bands (ev): -16.5867 -16.5867 -15.0647 -15.0642 -15.0638 -15.0635 -14.3758 -14.3758 -14.3600 -14.3599 -14.2277 -14.2271 -5.8239 -5.8236 -5.8215 -5.8208 -2.6600 -2.6570 -2.2909 -2.2908 -2.1612 -2.1600 -2.1153 -2.1152 -0.0034 -0.0029 0.0045 0.0080 0.1305 0.1305 0.3409 0.3445 1.0486 1.0510 1.2718 1.2724 1.2740 1.2772 1.8181 1.8215 1.8465 1.8467 1.8687 1.8721 2.2844 2.2844 2.2903 2.2906 6.1032 6.1032 10.1397 10.1397 10.1888 10.1903 11.4842 11.4842 11.5162 11.5186 k = 0.0000 0.0000 0.0000 ( 4493 PWs) bands (ev): -16.5873 -16.5873 -15.0641 -15.0641 -15.0637 -15.0637 -14.3755 -14.3755 -14.3597 -14.3597 -14.2271 -14.2271 -5.8239 -5.8239 -5.8220 -5.8220 -2.6591 -2.6591 -2.2911 -2.2911 -2.1599 -2.1599 -2.1145 -2.1145 -0.0018 -0.0018 0.0070 0.0070 0.1296 0.1296 0.3404 0.3404 1.0521 1.0521 1.2709 1.2709 1.2735 1.2735 1.8211 1.8211 1.8481 1.8481 1.8704 1.8704 2.2845 2.2845 2.2905 2.2905 6.0997 6.0997 10.1405 10.1405 10.1903 10.1903 11.4861 11.4861 11.5187 11.5187 k = 0.0000 0.0000 0.0000 ( 4493 PWs) bands (ev): -16.5873 -16.5873 -15.0641 -15.0641 -15.0637 -15.0637 -14.3755 -14.3755 -14.3597 -14.3597 -14.2271 -14.2271 -5.8239 -5.8239 -5.8220 -5.8220 -2.6591 -2.6591 -2.2911 -2.2911 -2.1599 -2.1599 -2.1145 -2.1145 -0.0018 -0.0018 0.0070 0.0070 0.1296 0.1296 0.3404 0.3404 1.0521 1.0521 1.2709 1.2709 1.2735 1.2735 1.8211 1.8211 1.8481 1.8481 1.8704 1.8704 2.2845 2.2845 2.2905 2.2905 6.0997 6.0997 10.1405 10.1405 10.1903 10.1903 11.4861 11.4861 11.5187 11.5187 k = 0.0000 0.0000 0.0158 ( 4505 PWs) bands (ev): -16.5866 -16.5866 -15.1011 -15.1008 -15.0276 -15.0272 -14.3759 -14.3750 -14.3598 -14.3596 -14.2276 -14.2269 -5.8921 -5.8903 -5.7541 -5.7521 -2.6627 -2.6589 -2.2918 -2.2898 -2.1771 -2.1423 -2.1309 -2.0977 -0.0288 -0.0205 0.0254 0.0347 0.1250 0.1261 0.3450 0.3465 1.0532 1.0533 1.2662 1.2689 1.2740 1.2765 1.8167 1.8242 1.8437 1.8518 1.8674 1.8684 2.2836 2.2853 2.2894 2.2914 6.1035 6.1036 10.0800 10.1276 10.2016 10.2535 11.4068 11.4430 11.5656 11.5944 k = 0.0000 0.0000 0.0315 ( 4511 PWs) bands (ev): -16.5847 -16.5847 -15.1388 -15.1384 -14.9917 -14.9914 -14.3760 -14.3744 -14.3596 -14.3593 -14.2283 -14.2269 -5.9585 -5.9568 -5.6827 -5.6807 -2.6696 -2.6623 -2.2920 -2.2883 -2.1938 -2.1468 -2.1243 -2.0805 -0.0554 -0.0474 0.0527 0.0623 0.1138 0.1155 0.3593 0.3619 1.0567 1.0569 1.2601 1.2628 1.2752 1.2777 1.8110 1.8253 1.8386 1.8548 1.8595 1.8623 2.2825 2.2857 2.2882 2.2920 6.1151 6.1154 10.0203 10.0655 10.2634 10.3172 11.3282 11.3679 11.6450 11.6697 k = 0.0000 0.0000 0.0473 ( 4511 PWs) bands (ev): -16.5815 -16.5815 -15.1769 -15.1765 -14.9566 -14.9562 -14.3760 -14.3735 -14.3593 -14.3588 -14.2292 -14.2272 -6.0233 -6.0216 -5.6100 -5.6079 -2.6796 -2.6690 -2.2917 -2.2866 -2.2101 -2.1622 -2.1059 -2.0628 -0.0811 -0.0735 0.0796 0.0870 0.1002 0.1007 0.3808 0.3842 1.0625 1.0629 1.2527 1.2554 1.2747 1.2771 1.8040 1.8225 1.8328 1.8470 1.8542 1.8572 2.2815 2.2857 2.2870 2.2920 6.1344 6.1347 9.9613 10.0040 10.3256 10.3813 11.2509 11.2941 11.7237 11.7440 k = 0.0000 0.0000 0.0630 ( 4511 PWs) bands (ev): -16.5771 -16.5771 -15.2154 -15.2150 -14.9222 -14.9219 -14.3758 -14.3725 -14.3588 -14.3583 -14.2305 -14.2277 -6.0861 -6.0845 -5.5359 -5.5337 -2.6924 -2.6791 -2.2911 -2.2850 -2.2259 -2.1773 -2.0871 -2.0448 -0.1060 -0.0987 0.0782 0.0826 0.1058 0.1184 0.4072 0.4111 1.0706 1.0711 1.2444 1.2471 1.2723 1.2747 1.7948 1.8119 1.8262 1.8307 1.8481 1.8589 2.2806 2.2850 2.2859 2.2913 6.1611 6.1615 9.9030 9.9428 10.3881 10.4456 11.1754 11.2219 11.8013 11.8167 k = 0.0000 0.0000 0.0788 ( 4511 PWs) bands (ev): -16.5713 -16.5713 -15.2542 -15.2539 -14.8887 -14.8884 -14.3753 -14.3714 -14.3581 -14.3576 -14.2319 -14.2285 -6.1470 -6.1455 -5.4606 -5.4583 -2.7079 -2.6923 -2.2905 -2.2840 -2.2413 -2.1918 -2.0679 -2.0264 -0.1296 -0.1226 0.0599 0.0641 0.1312 0.1440 0.4369 0.4412 1.0811 1.0817 1.2355 1.2382 1.2680 1.2704 1.7817 1.7924 1.8130 1.8188 1.8456 1.8600 2.2796 2.2837 2.2850 2.2897 6.1949 6.1955 9.8451 9.8819 10.4506 10.5099 11.1025 11.1521 11.8772 11.8870 k = 0.0000 0.0000 0.0945 ( 4499 PWs) bands (ev): -16.5643 -16.5643 -15.2933 -15.2930 -14.8561 -14.8558 -14.3747 -14.3702 -14.3573 -14.3569 -14.2336 -14.2296 -6.2059 -6.2045 -5.3841 -5.3817 -2.7256 -2.7083 -2.2899 -2.2837 -2.2562 -2.2060 -2.0485 -2.0077 -0.1519 -0.1451 0.0417 0.0460 0.1552 0.1687 0.4688 0.4733 1.0938 1.0945 1.2263 1.2290 1.2620 1.2644 1.7614 1.7664 1.7972 1.8106 1.8445 1.8604 2.2782 2.2820 2.2843 2.2870 6.2355 6.2362 9.7875 9.8211 10.5127 10.5740 11.0328 11.0852 11.9511 11.9541 k = 0.0000 0.0000 0.1103 ( 4505 PWs) bands (ev): -16.5561 -16.5561 -15.3327 -15.3324 -14.8244 -14.8241 -14.3738 -14.3689 -14.3563 -14.3560 -14.2355 -14.2308 -6.2628 -6.2614 -5.3066 -5.3041 -2.7455 -2.7270 -2.2899 -2.2845 -2.2707 -2.2197 -2.0287 -1.9887 -0.1726 -0.1660 0.0243 0.0287 0.1776 0.1918 0.5021 0.5069 1.1086 1.1094 1.2173 1.2200 1.2543 1.2567 1.7337 1.7357 1.7842 1.8014 1.8437 1.8602 2.2751 2.2808 2.2831 2.2839 6.2826 6.2833 9.7298 9.7599 10.5737 10.6376 10.9675 11.0219 12.0167 12.0223 k = 0.0000 0.0000 0.1260 ( 4493 PWs) bands (ev): -16.5466 -16.5465 -15.3722 -15.3719 -14.7938 -14.7935 -14.3728 -14.3674 -14.3551 -14.3550 -14.2377 -14.2324 -6.3174 -6.3161 -5.2281 -5.2256 -2.7674 -2.7481 -2.2905 -2.2864 -2.2847 -2.2330 -2.0087 -1.9695 -0.1917 -0.1852 0.0082 0.0128 0.1980 0.2130 0.5365 0.5414 1.1255 1.1265 1.2088 1.2117 1.2450 1.2475 1.7007 1.7013 1.7724 1.7913 1.8427 1.8593 2.2700 2.2776 2.2805 2.2837 6.3356 6.3364 9.6715 9.6982 10.6326 10.7005 10.9080 10.9628 12.0730 12.0900 k = 0.0000 0.0000 0.1418 ( 4493 PWs) bands (ev): -16.5358 -16.5358 -15.4118 -15.4116 -14.7642 -14.7640 -14.3715 -14.3659 -14.3541 -14.3536 -14.2401 -14.2341 -6.3699 -6.3686 -5.1489 -5.1462 -2.7912 -2.7716 -2.2984 -2.2919 -2.2897 -2.2459 -1.9885 -1.9502 -0.2089 -0.2025 -0.0064 -0.0017 0.2161 0.2318 0.5716 0.5766 1.1443 1.1456 1.2014 1.2045 1.2342 1.2369 1.6640 1.6641 1.7604 1.7803 1.8413 1.8578 2.2630 2.2705 2.2806 2.2837 6.3942 6.3951 9.6124 9.6355 10.6859 10.7623 10.8580 10.9085 12.1200 12.1531 k = 0.0000 0.0000 0.1576 ( 4493 PWs) bands (ev): -16.5238 -16.5238 -15.4515 -15.4513 -14.7357 -14.7356 -14.3700 -14.3643 -14.3531 -14.3520 -14.2426 -14.2360 -6.4201 -6.4189 -5.0689 -5.0661 -2.8167 -2.7973 -2.3115 -2.2944 -2.2944 -2.2583 -1.9682 -1.9307 -0.2241 -0.2178 -0.0194 -0.0145 0.2317 0.2481 0.6071 0.6122 1.1643 1.1663 1.1952 1.1994 1.2222 1.2253 1.6244 1.6250 1.7478 1.7682 1.8393 1.8557 2.2542 2.2616 2.2811 2.2840 6.4580 6.4589 9.5518 9.5715 10.7207 10.8226 10.8310 10.8597 12.1530 12.2097 k = 0.0000 0.0000 0.1733 ( 4481 PWs) bands (ev): -16.5106 -16.5106 -15.4911 -15.4909 -14.7085 -14.7083 -14.3683 -14.3627 -14.3521 -14.3502 -14.2454 -14.2382 -6.4679 -6.4667 -4.9883 -4.9854 -2.8440 -2.8251 -2.3242 -2.3004 -2.2978 -2.2704 -1.9478 -1.9113 -0.2374 -0.2311 -0.0307 -0.0258 0.2445 0.2615 0.6429 0.6481 1.1817 1.1875 1.1908 1.2005 1.2090 1.2139 1.5834 1.5843 1.7345 1.7551 1.8368 1.8529 2.2434 2.2507 2.2817 2.2844 6.5264 6.5273 9.4894 9.5058 10.7137 10.8169 10.8506 10.8812 12.1649 12.2567 k = 0.0000 0.0000 0.1891 ( 4463 PWs) bands (ev): -16.4962 -16.4962 -15.5308 -15.5306 -14.6825 -14.6824 -14.3664 -14.3610 -14.3510 -14.3483 -14.2484 -14.2406 -6.5133 -6.5122 -4.9072 -4.9043 -2.8732 -2.8550 -2.3364 -2.3078 -2.3023 -2.2820 -1.9274 -1.8920 -0.2484 -0.2422 -0.0406 -0.0354 0.2544 0.2719 0.6787 0.6839 1.1865 1.1879 1.1933 1.1952 1.2179 1.2186 1.5416 1.5428 1.7203 1.7409 1.8338 1.8495 2.2305 2.2379 2.2825 2.2851 6.5990 6.6000 9.4248 9.4380 10.6859 10.7806 10.8959 10.9376 12.1481 12.2526 k = 0.0000 0.0000 0.2048 ( 4463 PWs) bands (ev): -16.4806 -16.4805 -15.5702 -15.5701 -14.6577 -14.6577 -14.3643 -14.3593 -14.3500 -14.3461 -14.2515 -14.2431 -6.5563 -6.5552 -4.8258 -4.8228 -2.9041 -2.8870 -2.3481 -2.3164 -2.3077 -2.2933 -1.9071 -1.8729 -0.2573 -0.2511 -0.0490 -0.0437 0.2614 0.2792 0.7144 0.7196 1.1791 1.1804 1.1875 1.1887 1.2426 1.2427 1.4998 1.5013 1.7050 1.7255 1.8303 1.8456 2.2156 2.2229 2.2835 2.2858 6.6755 6.6765 9.3576 9.3679 10.6583 10.7511 10.9461 10.9915 12.1033 12.1819 k = 0.0000 0.0000 0.2206 ( 4463 PWs) bands (ev): -16.4638 -16.4637 -15.6096 -15.6094 -14.6344 -14.6344 -14.3620 -14.3575 -14.3490 -14.3438 -14.2548 -14.2459 -6.5967 -6.5957 -4.7442 -4.7410 -2.9371 -2.9212 -2.3593 -2.3261 -2.3140 -2.3040 -1.8871 -1.8542 -0.2640 -0.2578 -0.0561 -0.0507 0.2654 0.2835 0.7497 0.7550 1.1637 1.1652 1.1899 1.1903 1.2693 1.2693 1.4591 1.4608 1.6888 1.7091 1.8262 1.8410 2.1985 2.2057 2.2845 2.2867 6.7553 6.7564 9.2876 9.2953 10.6360 10.7288 10.9959 11.0424 12.0420 12.1094 k = 0.0000 0.0000 0.2363 ( 4469 PWs) bands (ev): -16.4458 -16.4458 -15.6487 -15.6485 -14.6124 -14.6124 -14.3596 -14.3557 -14.3480 -14.3413 -14.2583 -14.2488 -6.6346 -6.6337 -4.6624 -4.6592 -2.9721 -2.9577 -2.3700 -2.3365 -2.3210 -2.3144 -1.8673 -1.8359 -0.2684 -0.2622 -0.0623 -0.0567 0.2668 0.2848 0.7845 0.7898 1.1476 1.1494 1.1941 1.1942 1.2961 1.2961 1.4212 1.4232 1.6715 1.6915 1.8217 1.8360 2.1792 2.1864 2.2857 2.2876 6.8383 6.8393 9.2146 9.2202 10.6205 10.7137 11.0437 11.0899 11.9727 12.0354 k = 0.0000 0.0000 0.2521 ( 4457 PWs) bands (ev): -16.4267 -16.4267 -15.6875 -15.6873 -14.5919 -14.5918 -14.3572 -14.3537 -14.3470 -14.3386 -14.2619 -14.2519 -6.6699 -6.6690 -4.5807 -4.5774 -3.0093 -2.9964 -2.3802 -2.3475 -2.3285 -2.3242 -1.8481 -1.8182 -0.2706 -0.2644 -0.0677 -0.0620 0.2658 0.2835 0.8185 0.8238 1.1313 1.1331 1.2001 1.2002 1.3183 1.3186 1.3912 1.3936 1.6530 1.6727 1.8168 1.8305 2.1578 2.1649 2.2868 2.2886 6.9239 6.9249 9.1386 9.1424 10.6124 10.7060 11.0889 11.1338 11.8996 11.9604 k = 0.0000 0.0000 0.2679 ( 4463 PWs) bands (ev): -16.4064 -16.4064 -15.7260 -15.7259 -14.5729 -14.5728 -14.3549 -14.3515 -14.3461 -14.3357 -14.2656 -14.2551 -6.7025 -6.7017 -4.4992 -4.4958 -3.0488 -3.0376 -2.3897 -2.3588 -2.3362 -2.3335 -1.8294 -1.8013 -0.2706 -0.2644 -0.0727 -0.0669 0.2627 0.2799 0.8512 0.8565 1.1148 1.1167 1.2077 1.2080 1.3192 1.3194 1.3872 1.3894 1.6335 1.6528 1.8116 1.8246 2.1343 2.1413 2.2880 2.2896 7.0118 7.0128 9.0598 9.0621 10.6116 10.7055 11.1310 11.1736 11.8245 11.8846 k = 0.0000 0.0000 0.2836 ( 4451 PWs) bands (ev): -16.3851 -16.3850 -15.7641 -15.7640 -14.5554 -14.5552 -14.3528 -14.3489 -14.3452 -14.3327 -14.2695 -14.2585 -6.7324 -6.7317 -4.4180 -4.4145 -3.0908 -3.0812 -2.3986 -2.3701 -2.3440 -2.3423 -1.8115 -1.7852 -0.2685 -0.2622 -0.0775 -0.0717 0.2579 0.2744 0.8821 0.8872 1.0984 1.1005 1.2166 1.2171 1.2979 1.2981 1.4105 1.4123 1.6129 1.6317 1.8062 1.8185 2.1088 2.1157 2.2891 2.2906 7.1019 7.1028 8.9782 8.9794 10.6181 10.7120 11.1695 11.2091 11.7485 11.8085 k = 0.0000 0.0000 0.2994 ( 4445 PWs) bands (ev): -16.3626 -16.3626 -15.8018 -15.8017 -14.5395 -14.5393 -14.3511 -14.3459 -14.3445 -14.3296 -14.2734 -14.2620 -6.7596 -6.7589 -4.3372 -4.3337 -3.1353 -3.1273 -2.4069 -2.3812 -2.3517 -2.3505 -1.7944 -1.7702 -0.2643 -0.2581 -0.0825 -0.0766 0.2520 0.2675 0.9105 0.9153 1.0824 1.0845 1.2266 1.2272 1.2747 1.2747 1.4419 1.4435 1.5912 1.6094 1.8006 1.8121 2.0814 2.0881 2.2903 2.2915 7.1937 7.1945 8.8940 8.8944 10.6316 10.7253 11.2044 11.2398 11.6723 11.7323 k = 0.0000 0.0000 0.3151 ( 4458 PWs) bands (ev): -16.3391 -16.3390 -15.8391 -15.8390 -14.5252 -14.5249 -14.3495 -14.3438 -14.3427 -14.3263 -14.2775 -14.2656 -6.7840 -6.7834 -4.2571 -4.2535 -3.1824 -3.1761 -2.4143 -2.3918 -2.3590 -2.3580 -1.7785 -1.7564 -0.2583 -0.2520 -0.0880 -0.0821 0.2453 0.2597 0.9352 0.9395 1.0668 1.0690 1.2370 1.2377 1.2558 1.2566 1.4759 1.4775 1.5684 1.5860 1.7951 1.8056 2.0522 2.0588 2.2913 2.2924 7.2869 7.2877 8.8073 8.8074 10.6519 10.7451 11.2355 11.2656 11.5967 11.6563 k = 0.0000 0.0000 0.3309 ( 4446 PWs) bands (ev): -16.3145 -16.3144 -15.8758 -15.8757 -14.5124 -14.5121 -14.3481 -14.3432 -14.3392 -14.3229 -14.2816 -14.2693 -6.8056 -6.8051 -4.1776 -4.1741 -3.2322 -3.2273 -2.4210 -2.4017 -2.3659 -2.3649 -1.7637 -1.7440 -0.2504 -0.2442 -0.0942 -0.0882 0.2384 0.2514 0.9552 0.9588 1.0521 1.0543 1.2440 1.2442 1.2477 1.2500 1.5113 1.5128 1.5448 1.5615 1.7897 1.7993 2.0213 2.0277 2.2922 2.2932 7.3814 7.3821 8.7183 8.7188 10.6786 10.7711 11.2629 11.2856 11.5228 11.5809 k = 0.0000 0.0000 0.3466 ( 4440 PWs) bands (ev): -16.2889 -16.2888 -15.9120 -15.9119 -14.5013 -14.5010 -14.3469 -14.3427 -14.3355 -14.3194 -14.2858 -14.2731 -6.8244 -6.8239 -4.0991 -4.0956 -3.2847 -3.2812 -2.4269 -2.4107 -2.3720 -2.3710 -1.7503 -1.7331 -0.2411 -0.2348 -0.1013 -0.0953 0.2315 0.2431 0.9696 0.9722 1.0383 1.0405 1.2407 1.2432 1.2580 1.2596 1.5191 1.5359 1.5476 1.5501 1.7847 1.7931 1.9890 1.9952 2.2931 2.2939 7.4769 7.4775 8.6276 8.6284 10.7113 10.8030 11.2865 11.2980 11.4533 11.5063 k = 0.0000 0.0000 0.3624 ( 4464 PWs) bands (ev): -16.2623 -16.2622 -15.9476 -15.9475 -14.4919 -14.4916 -14.3458 -14.3424 -14.3317 -14.3158 -14.2900 -14.2769 -6.8403 -6.8399 -4.0216 -4.0182 -3.3399 -3.3376 -2.4318 -2.4186 -2.3774 -2.3764 -1.7384 -1.7239 -0.2303 -0.2241 -0.1095 -0.1035 0.2252 0.2351 0.9785 0.9799 1.0256 1.0279 1.2463 1.2503 1.2676 1.2692 1.4936 1.5093 1.5845 1.5871 1.7801 1.7873 1.9553 1.9612 2.2938 2.2945 7.5732 7.5736 8.5354 8.5363 10.7495 10.8403 11.2948 11.3065 11.3964 11.4330 k = 0.0000 0.0000 0.3781 ( 4464 PWs) bands (ev): -16.2347 -16.2346 -15.9825 -15.9825 -14.4842 -14.4839 -14.3449 -14.3421 -14.3277 -14.3121 -14.2942 -14.2808 -6.8533 -6.8530 -3.9454 -3.9421 -3.3977 -3.3966 -2.4357 -2.4255 -2.3818 -2.3809 -1.7282 -1.7164 -0.2185 -0.2123 -0.1188 -0.1128 0.2198 0.2279 0.9828 0.9832 1.0144 1.0168 1.2597 1.2647 1.2761 1.2781 1.4669 1.4818 1.6220 1.6248 1.7762 1.7821 1.9205 1.9261 2.2945 2.2950 7.6701 7.6703 8.4419 8.4428 10.7929 10.8828 11.2595 11.3231 11.3612 11.3694 k = 0.0000 0.0000 0.3939 ( 4458 PWs) bands (ev): -16.2061 -16.2061 -16.0168 -16.0167 -14.4781 -14.4779 -14.3440 -14.3420 -14.3237 -14.3083 -14.2985 -14.2847 -6.8635 -6.8633 -3.8705 -3.8674 -3.4581 -3.4579 -2.4386 -2.4311 -2.3853 -2.3845 -1.7197 -1.7108 -0.2059 -0.1997 -0.1293 -0.1232 0.2155 0.2217 0.9841 0.9846 1.0049 1.0072 1.2790 1.2812 1.2832 1.2893 1.4396 1.4536 1.6597 1.6629 1.7731 1.7777 1.8847 1.8901 2.2950 2.2954 7.7673 7.7674 8.3474 8.3482 10.8411 10.9299 11.2007 11.2912 11.3365 11.3642 k = 0.0000 0.0000 0.4097 ( 4452 PWs) bands (ev): -16.1767 -16.1767 -16.0503 -16.0503 -14.4737 -14.4736 -14.3434 -14.3420 -14.3196 -14.3045 -14.3028 -14.2887 -6.8707 -6.8706 -3.7971 -3.7943 -3.5216 -3.5209 -2.4404 -2.4355 -2.3878 -2.3872 -1.7132 -1.7072 -0.1927 -0.1865 -0.1407 -0.1346 0.2126 0.2168 0.9844 0.9854 0.9971 0.9993 1.2885 1.2885 1.3023 1.3119 1.4117 1.4249 1.6977 1.7012 1.7710 1.7741 1.8482 1.8532 2.2954 2.2957 7.8647 7.8648 8.2519 8.2527 10.8935 10.9814 11.1363 11.2235 11.3469 11.3637 k = 0.0000 0.0000 0.4254 ( 4452 PWs) bands (ev): -16.1463 -16.1463 -16.0831 -16.0831 -14.4711 -14.4710 -14.3428 -14.3421 -14.3155 -14.3070 -14.3006 -14.2927 -6.8751 -6.8750 -3.7253 -3.7229 -3.5874 -3.5861 -2.4410 -2.4386 -2.3892 -2.3889 -1.7086 -1.7056 -0.1793 -0.1732 -0.1530 -0.1469 0.2112 0.2133 0.9852 0.9867 0.9913 0.9933 1.2918 1.2919 1.3282 1.3386 1.3836 1.3958 1.7356 1.7395 1.7701 1.7716 1.8111 1.8157 2.2957 2.2958 7.9620 7.9622 8.1558 8.1563 10.9499 11.0369 11.0720 11.1583 11.3546 11.3627 k = 0.0000 0.0000 0.4412 ( 4464 PWs) bands (ev): -16.1151 -16.1151 -16.1151 -16.1151 -14.4702 -14.4702 -14.3424 -14.3424 -14.3113 -14.3113 -14.2966 -14.2966 -6.8765 -6.8765 -3.6554 -3.6554 -3.6535 -3.6535 -2.4404 -2.4404 -2.3895 -2.3895 -1.7061 -1.7061 -0.1660 -0.1660 -0.1599 -0.1599 0.2115 0.2115 0.9873 0.9873 0.9891 0.9891 1.2930 1.2930 1.3556 1.3556 1.3669 1.3669 1.7701 1.7701 1.7736 1.7736 1.7777 1.7777 2.2958 2.2958 8.0590 8.0590 8.0594 8.0594 11.0096 11.0096 11.0960 11.0960 11.3598 11.3598 k = 0.0000 0.0000 0.4412 ( 4464 PWs) bands (ev): -16.1151 -16.1151 -16.1151 -16.1151 -14.4702 -14.4702 -14.3424 -14.3424 -14.3113 -14.3113 -14.2966 -14.2966 -6.8765 -6.8765 -3.6554 -3.6554 -3.6535 -3.6535 -2.4404 -2.4404 -2.3895 -2.3895 -1.7061 -1.7061 -0.1660 -0.1660 -0.1599 -0.1599 0.2115 0.2115 0.9873 0.9873 0.9891 0.9891 1.2930 1.2930 1.3556 1.3556 1.3669 1.3669 1.7701 1.7701 1.7736 1.7736 1.7777 1.7777 2.2958 2.2958 8.0590 8.0590 8.0594 8.0594 11.0096 11.0096 11.0960 11.0960 11.3598 11.3598 k = 0.0135 0.0078 0.4412 ( 4448 PWs) bands (ev): -16.1150 -16.1148 -16.1146 -16.1145 -14.4703 -14.4702 -14.3430 -14.3422 -14.3118 -14.3118 -14.2972 -14.2972 -6.8751 -6.8751 -3.6580 -3.6564 -3.6543 -3.6527 -2.4398 -2.4397 -2.3894 -2.3881 -1.7079 -1.7039 -0.1672 -0.1659 -0.1604 -0.1603 0.2115 0.2118 0.9861 0.9868 0.9885 0.9885 1.2929 1.2939 1.3565 1.3566 1.3673 1.3686 1.7601 1.7605 1.7751 1.7755 1.7852 1.7861 2.2954 2.2956 8.0591 8.0598 8.0605 8.0613 11.0025 11.0152 11.0949 11.0951 11.3563 11.3702 k = 0.0270 0.0156 0.4412 ( 4456 PWs) bands (ev): -16.1144 -16.1141 -16.1128 -16.1126 -14.4706 -14.4704 -14.3440 -14.3424 -14.3137 -14.3136 -14.2988 -14.2986 -6.8710 -6.8709 -3.6639 -3.6603 -3.6568 -3.6513 -2.4379 -2.4376 -2.3876 -2.3851 -1.7093 -1.7013 -0.1699 -0.1674 -0.1615 -0.1612 0.2120 0.2124 0.9831 0.9846 0.9863 0.9867 1.2938 1.2956 1.3591 1.3596 1.3700 1.3722 1.7484 1.7485 1.7747 1.7750 1.7968 1.7982 2.2945 2.2948 8.0596 8.0611 8.0648 8.0662 10.9943 11.0194 11.0916 11.0927 11.3601 11.3867 k = 0.0405 0.0234 0.4412 ( 4448 PWs) bands (ev): -16.1134 -16.1130 -16.1097 -16.1095 -14.4710 -14.4707 -14.3454 -14.3431 -14.3174 -14.3169 -14.3010 -14.3005 -6.8641 -6.8640 -3.6732 -3.6674 -3.6595 -3.6500 -2.4350 -2.4340 -2.3843 -2.3805 -1.7103 -1.6984 -0.1745 -0.1712 -0.1625 -0.1619 0.2128 0.2134 0.9785 0.9811 0.9825 0.9837 1.2956 1.2980 1.3630 1.3644 1.3750 1.3775 1.7365 1.7370 1.7737 1.7740 1.8085 1.8104 2.2930 2.2935 8.0606 8.0629 8.0721 8.0741 10.9852 11.0221 11.0863 11.0897 11.3706 11.4084 k = 0.0541 0.0312 0.4412 ( 4440 PWs) bands (ev): -16.1120 -16.1114 -16.1055 -16.1052 -14.4715 -14.4711 -14.3475 -14.3442 -14.3232 -14.3220 -14.3033 -14.3023 -6.8545 -6.8544 -3.6858 -3.6781 -3.6620 -3.6491 -2.4311 -2.4288 -2.3795 -2.3745 -1.7110 -1.6953 -0.1812 -0.1772 -0.1635 -0.1622 0.2140 0.2148 0.9725 0.9767 0.9773 0.9798 1.2985 1.3014 1.3679 1.3709 1.3820 1.3843 1.7249 1.7257 1.7723 1.7728 1.8200 1.8223 2.2910 2.2916 8.0623 8.0653 8.0825 8.0851 10.9755 11.0233 11.0799 11.0864 11.3869 11.4341 k = 0.0676 0.0390 0.4412 ( 4444 PWs) bands (ev): -16.1101 -16.1094 -16.1000 -16.0996 -14.4721 -14.4717 -14.3504 -14.3459 -14.3312 -14.3290 -14.3056 -14.3040 -6.8422 -6.8420 -3.7015 -3.6921 -3.6644 -3.6484 -2.4263 -2.4220 -2.3735 -2.3669 -1.7114 -1.6920 -0.1896 -0.1851 -0.1644 -0.1625 0.2155 0.2165 0.9650 0.9704 0.9717 0.9752 1.3025 1.3055 1.3734 1.3784 1.3904 1.3930 1.7136 1.7148 1.7707 1.7714 1.8312 1.8340 2.2885 2.2892 8.0644 8.0683 8.0958 8.0991 10.9658 11.0230 11.0731 11.0830 11.4078 11.4630 k = 0.0811 0.0468 0.4412 ( 4448 PWs) bands (ev): -16.1079 -16.1069 -16.0933 -16.0929 -14.4729 -14.4724 -14.3548 -14.3490 -14.3403 -14.3370 -14.3077 -14.3056 -6.8273 -6.8270 -3.7202 -3.7092 -3.6669 -3.6480 -2.4207 -2.4136 -2.3663 -2.3577 -1.7115 -1.6887 -0.1996 -0.1945 -0.1654 -0.1630 0.2175 0.2185 0.9564 0.9623 0.9663 0.9703 1.3074 1.3105 1.3792 1.3864 1.3999 1.4035 1.7027 1.7043 1.7690 1.7698 1.8419 1.8451 2.2855 2.2863 8.0672 8.0718 8.1122 8.1160 10.9563 11.0212 11.0668 11.0796 11.4322 11.4944 k = 0.0946 0.0546 0.4412 ( 4450 PWs) bands (ev): -16.1052 -16.1041 -16.0855 -16.0849 -14.4738 -14.4732 -14.3622 -14.3572 -14.3470 -14.3444 -14.3096 -14.3071 -6.8097 -6.8094 -3.7416 -3.7293 -3.6695 -3.6479 -2.4143 -2.4038 -2.3583 -2.3470 -1.7115 -1.6853 -0.2108 -0.2052 -0.1667 -0.1638 0.2198 0.2209 0.9467 0.9530 0.9609 0.9653 1.3133 1.3162 1.3852 1.3942 1.4105 1.4155 1.6924 1.6943 1.7673 1.7683 1.8521 1.8557 2.2822 2.2831 8.0706 8.0758 8.1315 8.1359 10.9476 11.0181 11.0611 11.0761 11.4591 11.5274 k = 0.1081 0.0624 0.4412 ( 4448 PWs) bands (ev): -16.1022 -16.1010 -16.0764 -16.0758 -14.4749 -14.4742 -14.3737 -14.3706 -14.3514 -14.3496 -14.3115 -14.3086 -6.7897 -6.7893 -3.7656 -3.7521 -3.6721 -3.6480 -2.4072 -2.3927 -2.3493 -2.3348 -1.7114 -1.6822 -0.2230 -0.2169 -0.1682 -0.1648 0.2225 0.2237 0.9360 0.9427 0.9560 0.9607 1.3197 1.3223 1.3911 1.4014 1.4223 1.4284 1.6827 1.6850 1.7658 1.7670 1.8615 1.8656 2.2786 2.2795 8.0745 8.0804 8.1536 8.1587 10.9397 11.0143 11.0561 11.0724 11.4874 11.5615 k = 0.1216 0.0702 0.4412 ( 4452 PWs) bands (ev): -16.0988 -16.0974 -16.0662 -16.0655 -14.4761 -14.4754 -14.3885 -14.3865 -14.3559 -14.3533 -14.3134 -14.3101 -6.7671 -6.7667 -3.7920 -3.7776 -3.6747 -3.6485 -2.3996 -2.3805 -2.3394 -2.3212 -1.7114 -1.6793 -0.2358 -0.2294 -0.1701 -0.1663 0.2258 0.2270 0.9245 0.9313 0.9517 0.9567 1.3265 1.3287 1.3968 1.4079 1.4348 1.4420 1.6737 1.6763 1.7645 1.7660 1.8701 1.8746 2.2747 2.2757 8.0790 8.0855 8.1786 8.1842 10.9329 11.0103 11.0512 11.0684 11.5162 11.5960 k = 0.1351 0.0780 0.4412 ( 4456 PWs) bands (ev): -16.0950 -16.0935 -16.0548 -16.0540 -14.4775 -14.4767 -14.4058 -14.4043 -14.3605 -14.3570 -14.3152 -14.3116 -6.7422 -6.7417 -3.8206 -3.8054 -3.6773 -3.6493 -2.3915 -2.3677 -2.3283 -2.3062 -1.7116 -1.6768 -0.2492 -0.2424 -0.1725 -0.1683 0.2295 0.2309 0.9122 0.9191 0.9482 0.9535 1.3333 1.3350 1.4021 1.4136 1.4478 1.4558 1.6656 1.6685 1.7638 1.7655 1.8777 1.8826 2.2708 2.2719 8.0840 8.0912 8.2063 8.2124 10.9273 11.0067 11.0460 11.0639 11.5446 11.6303 k = 0.1486 0.0858 0.4412 ( 4458 PWs) bands (ev): -16.0909 -16.0893 -16.0422 -16.0414 -14.4791 -14.4783 -14.4249 -14.4235 -14.3651 -14.3610 -14.3170 -14.3131 -6.7150 -6.7144 -3.8513 -3.8355 -3.6798 -3.6504 -2.3831 -2.3548 -2.3158 -2.2899 -1.7120 -1.6750 -0.2627 -0.2556 -0.1753 -0.1708 0.2340 0.2354 0.8992 0.9062 0.9459 0.9515 1.3399 1.3409 1.4071 1.4185 1.4608 1.4694 1.6583 1.6615 1.7637 1.7657 1.8841 1.8896 2.2671 2.2682 8.0896 8.0973 8.2366 8.2433 10.9228 11.0038 11.0402 11.0586 11.5718 11.6636 k = 0.1622 0.0936 0.4412 ( 4462 PWs) bands (ev): -16.0865 -16.0849 -16.0285 -16.0276 -14.4812 -14.4806 -14.4455 -14.4438 -14.3699 -14.3654 -14.3187 -14.3146 -6.6856 -6.6849 -3.8840 -3.8677 -3.6824 -3.6517 -2.3745 -2.3423 -2.3014 -2.2724 -1.7129 -1.6738 -0.2761 -0.2689 -0.1788 -0.1739 0.2392 0.2407 0.8855 0.8925 0.9448 0.9506 1.3456 1.3460 1.4118 1.4228 1.4732 1.4825 1.6521 1.6555 1.7644 1.7667 1.8893 1.8952 2.2636 2.2648 8.0958 8.1040 8.2695 8.2766 10.9194 11.0018 11.0334 11.0526 11.5968 11.6950 k = 0.1757 0.1014 0.4412 ( 4464 PWs) bands (ev): -16.0819 -16.0801 -16.0137 -16.0127 -14.4853 -14.4850 -14.4660 -14.4635 -14.3750 -14.3701 -14.3203 -14.3161 -6.6541 -6.6533 -3.9183 -3.9017 -3.6849 -3.6533 -2.3658 -2.3306 -2.2849 -2.2536 -1.7143 -1.6734 -0.2893 -0.2820 -0.1828 -0.1777 0.2452 0.2469 0.8713 0.8781 0.9450 0.9511 1.3497 1.3507 1.4164 1.4264 1.4848 1.4946 1.6470 1.6505 1.7661 1.7687 1.8932 1.8995 2.2606 2.2620 8.1025 8.1112 8.3047 8.3123 10.9170 11.0005 11.0255 11.0458 11.6186 11.7236 k = 0.1892 0.1092 0.4412 ( 4462 PWs) bands (ev): -16.0770 -16.0751 -15.9978 -15.9967 -14.4989 -14.4982 -14.4786 -14.4756 -14.3802 -14.3752 -14.3219 -14.3176 -6.6206 -6.6197 -3.9543 -3.9375 -3.6874 -3.6551 -2.3572 -2.3198 -2.2664 -2.2337 -1.7164 -1.6740 -0.3019 -0.2946 -0.1874 -0.1820 0.2522 0.2542 0.8565 0.8631 0.9465 0.9529 1.3520 1.3542 1.4208 1.4295 1.4951 1.5053 1.6433 1.6468 1.7688 1.7716 1.8958 1.9025 2.2583 2.2598 8.1097 8.1188 8.3422 8.3502 10.9153 10.9994 11.0168 11.0382 11.6364 11.7482 k = 0.2027 0.1170 0.4412 ( 4470 PWs) bands (ev): -16.0719 -16.0699 -15.9808 -15.9797 -14.5220 -14.5213 -14.4826 -14.4800 -14.3857 -14.3805 -14.3235 -14.3191 -6.5852 -6.5842 -3.9917 -3.9748 -3.6897 -3.6572 -2.3488 -2.3099 -2.2461 -2.2129 -1.7192 -1.6757 -0.3138 -0.3066 -0.1926 -0.1870 0.2604 0.2626 0.8413 0.8476 0.9493 0.9560 1.3527 1.3560 1.4251 1.4323 1.5036 1.5141 1.6410 1.6444 1.7725 1.7755 1.8972 1.9041 2.2568 2.2584 8.1174 8.1269 8.3818 8.3902 10.9139 10.9959 11.0093 11.0304 11.6495 11.7678 k = 0.2162 0.1248 0.4412 ( 4476 PWs) bands (ev): -16.0666 -16.0646 -15.9628 -15.9616 -14.5482 -14.5473 -14.4851 -14.4826 -14.3913 -14.3860 -14.3250 -14.3206 -6.5481 -6.5470 -4.0304 -4.0135 -3.6920 -3.6594 -2.3405 -2.3008 -2.2244 -2.1911 -1.7228 -1.6784 -0.3249 -0.3178 -0.1983 -0.1924 0.2697 0.2723 0.8255 0.8315 0.9533 0.9602 1.3517 1.3561 1.4293 1.4347 1.5101 1.5208 1.6403 1.6435 1.7771 1.7802 1.8975 1.9046 2.2562 2.2580 8.1257 8.1354 8.4233 8.4321 10.9120 10.9862 11.0056 11.0238 11.6575 11.7813 k = 0.2297 0.1326 0.4412 ( 4472 PWs) bands (ev): -16.0612 -16.0591 -15.9438 -15.9426 -14.5760 -14.5749 -14.4873 -14.4847 -14.3969 -14.3916 -14.3265 -14.3221 -6.5094 -6.5081 -4.0703 -4.0535 -3.6942 -3.6617 -2.3324 -2.2923 -2.2016 -2.1686 -1.7273 -1.6823 -0.3350 -0.3281 -0.2043 -0.1983 0.2803 0.2832 0.8093 0.8149 0.9583 0.9655 1.3490 1.3544 1.4332 1.4366 1.5141 1.5250 1.6414 1.6442 1.7823 1.7855 1.8970 1.9042 2.2567 2.2586 8.1344 8.1444 8.4665 8.4757 10.9087 10.9723 11.0018 11.0212 11.6601 11.7880 k = 0.2432 0.1404 0.4412 ( 4476 PWs) bands (ev): -16.0556 -16.0535 -15.9238 -15.9225 -14.6049 -14.6036 -14.4895 -14.4868 -14.4026 -14.3974 -14.3279 -14.3236 -6.4692 -6.4678 -4.1112 -4.0946 -3.6963 -3.6642 -2.3246 -2.2843 -2.1779 -2.1455 -1.7326 -1.6874 -0.3440 -0.3374 -0.2107 -0.2045 0.2922 0.2956 0.7928 0.7979 0.9642 0.9718 1.3449 1.3510 1.4365 1.4379 1.5159 1.5269 1.6440 1.6463 1.7878 1.7910 1.8962 1.9033 2.2583 2.2602 8.1435 8.1537 8.5112 8.5207 10.9026 10.9559 10.9967 11.0229 11.6578 11.7875 k = 0.2568 0.1482 0.4412 ( 4476 PWs) bands (ev): -16.0500 -16.0479 -15.9029 -15.9015 -14.6348 -14.6334 -14.4918 -14.4889 -14.4083 -14.4031 -14.3292 -14.3250 -6.4278 -6.4262 -4.1530 -4.1366 -3.6982 -3.6668 -2.3171 -2.2768 -2.1536 -2.1221 -1.7389 -1.6936 -0.3519 -0.3456 -0.2171 -0.2108 0.3054 0.3093 0.7760 0.7806 0.9709 0.9787 1.3395 1.3460 1.4383 1.4390 1.5154 1.5268 1.6479 1.6497 1.7930 1.7963 1.8956 1.9025 2.2609 2.2628 8.1530 8.1633 8.5571 8.5670 10.8924 10.9374 10.9929 11.0268 11.6512 11.7804 k = 0.2703 0.1560 0.4412 ( 4468 PWs) bands (ev): -16.0443 -16.0422 -15.8811 -15.8797 -14.6656 -14.6641 -14.4941 -14.4911 -14.4139 -14.4088 -14.3306 -14.3264 -6.3852 -6.3835 -4.1956 -4.1795 -3.7000 -3.6694 -2.3098 -2.2698 -2.1289 -2.0984 -1.7460 -1.7010 -0.3586 -0.3527 -0.2235 -0.2171 0.3200 0.3244 0.7589 0.7630 0.9780 0.9860 1.3330 1.3397 1.4375 1.4404 1.5134 1.5252 1.6527 1.6540 1.7972 1.8008 1.8960 1.9025 2.2644 2.2663 8.1629 8.1733 8.6041 8.6142 10.8777 10.9168 10.9920 11.0319 11.6412 11.7673 k = 0.2838 0.1638 0.4412 ( 4480 PWs) bands (ev): -16.0387 -16.0365 -15.8584 -15.8570 -14.6971 -14.6955 -14.4965 -14.4933 -14.4194 -14.4144 -14.3319 -14.3279 -6.3417 -6.3398 -4.2387 -4.2230 -3.7017 -3.6721 -2.3028 -2.2633 -2.1041 -2.0748 -1.7538 -1.7094 -0.3642 -0.3587 -0.2297 -0.2232 0.3357 0.3408 0.7418 0.7453 0.9853 0.9934 1.3255 1.3323 1.4352 1.4402 1.5103 1.5228 1.6580 1.6590 1.7999 1.8040 1.8978 1.9039 2.2687 2.2706 8.1731 8.1834 8.6519 8.6622 10.8589 10.8942 10.9939 11.0376 11.6286 11.7494 k = 0.2973 0.1716 0.4412 ( 4476 PWs) bands (ev): -16.0331 -16.0310 -15.8350 -15.8335 -14.7292 -14.7275 -14.4990 -14.4956 -14.4246 -14.4199 -14.3331 -14.3292 -6.2974 -6.2954 -4.2823 -4.2670 -3.7032 -3.6747 -2.2960 -2.2571 -2.0793 -2.0514 -1.7623 -1.7186 -0.3688 -0.3637 -0.2355 -0.2291 0.3526 0.3583 0.7246 0.7277 0.9924 1.0007 1.3173 1.3239 1.4312 1.4382 1.5069 1.5202 1.6636 1.6644 1.8009 1.8054 1.9014 1.9071 2.2738 2.2755 8.1835 8.1937 8.7001 8.7106 10.8369 10.8698 10.9980 11.0436 11.6144 11.7278 k = 0.3108 0.1794 0.4412 ( 4474 PWs) bands (ev): -16.0275 -16.0255 -15.8109 -15.8093 -14.7617 -14.7600 -14.5015 -14.4980 -14.4296 -14.4251 -14.3343 -14.3306 -6.2526 -6.2505 -4.3261 -4.3113 -3.7045 -3.6774 -2.2894 -2.2514 -2.0548 -2.0284 -1.7714 -1.7287 -0.3723 -0.3677 -0.2409 -0.2345 0.3704 0.3770 0.7077 0.7106 0.9991 1.0074 1.3084 1.3146 1.4255 1.4341 1.5040 1.5177 1.6690 1.6698 1.8003 1.8051 1.9068 1.9121 2.2793 2.2810 8.1941 8.2041 8.7485 8.7591 10.8124 10.8438 11.0038 11.0497 11.5995 11.7033 k = 0.3243 0.1872 0.4412 ( 4470 PWs) bands (ev): -16.0222 -16.0202 -15.7861 -15.7845 -14.7945 -14.7928 -14.5042 -14.5005 -14.4343 -14.4300 -14.3354 -14.3319 -6.2076 -6.2052 -4.3699 -4.3556 -3.7057 -3.6800 -2.2831 -2.2461 -2.0309 -2.0060 -1.7808 -1.7394 -0.3749 -0.3707 -0.2456 -0.2393 0.3889 0.3964 0.6912 0.6942 1.0049 1.0131 1.2990 1.3048 1.4182 1.4280 1.5018 1.5158 1.6742 1.6750 1.7983 1.8034 1.9137 1.9187 2.2852 2.2867 8.2047 8.2144 8.7967 8.8074 10.7863 10.8164 11.0107 11.0557 11.5845 11.6768 k = 0.3378 0.1951 0.4412 ( 4474 PWs) bands (ev): -16.0169 -16.0150 -15.7608 -15.7592 -14.8275 -14.8257 -14.5068 -14.5031 -14.4386 -14.4346 -14.3365 -14.3332 -6.1625 -6.1601 -4.4136 -4.3999 -3.7067 -3.6826 -2.2769 -2.2412 -2.0077 -1.9844 -1.7904 -1.7505 -0.3767 -0.3729 -0.2496 -0.2435 0.4077 0.4162 0.6755 0.6792 1.0092 1.0172 1.2893 1.2944 1.4099 1.4201 1.5006 1.5144 1.6790 1.6800 1.7954 1.8006 1.9217 1.9263 2.2913 2.2927 8.2152 8.2246 8.8444 8.8551 10.7590 10.7880 11.0184 11.0616 11.5700 11.6490 k = 0.3514 0.2029 0.4412 ( 4490 PWs) bands (ev): -16.0120 -16.0101 -15.7351 -15.7335 -14.8605 -14.8587 -14.5095 -14.5058 -14.4426 -14.4388 -14.3375 -14.3344 -6.1178 -6.1152 -4.4568 -4.4437 -3.7075 -3.6851 -2.2710 -2.2367 -1.9855 -1.9639 -1.8000 -1.7620 -0.3778 -0.3745 -0.2529 -0.2469 0.4262 0.4359 0.6614 0.6662 1.0116 1.0192 1.2797 1.2840 1.4010 1.4111 1.5003 1.5135 1.6833 1.6844 1.7921 1.7972 1.9302 1.9345 2.2975 2.2987 8.2256 8.2346 8.8911 8.9017 10.7311 10.7589 11.0267 11.0672 11.5563 11.6206 k = 0.3649 0.2107 0.4412 ( 4474 PWs) bands (ev): -16.0072 -16.0055 -15.7091 -15.7075 -14.8933 -14.8914 -14.5122 -14.5085 -14.4462 -14.4427 -14.3384 -14.3355 -6.0737 -6.0710 -4.4992 -4.4869 -3.7082 -3.6876 -2.2652 -2.2327 -1.9644 -1.9446 -1.8094 -1.7735 -0.3783 -0.3754 -0.2554 -0.2496 0.4437 0.4545 0.6499 0.6559 1.0114 1.0185 1.2703 1.2738 1.3920 1.4016 1.5007 1.5132 1.6872 1.6884 1.7887 1.7935 1.9390 1.9429 2.3036 2.3046 8.2358 8.2443 8.9366 8.9470 10.7032 10.7296 11.0354 11.0725 11.5438 11.5922 k = 0.3784 0.2185 0.4412 ( 4474 PWs) bands (ev): -16.0028 -16.0012 -15.6830 -15.6814 -14.9256 -14.9238 -14.5148 -14.5112 -14.4493 -14.4461 -14.3392 -14.3366 -6.0307 -6.0280 -4.5404 -4.5289 -3.7086 -3.6899 -2.2596 -2.2292 -1.9446 -1.9268 -1.8184 -1.7848 -0.3783 -0.3758 -0.2571 -0.2516 0.4589 0.4707 0.6426 0.6498 1.0079 1.0144 1.2617 1.2645 1.3834 1.3922 1.5016 1.5131 1.6905 1.6917 1.7853 1.7898 1.9476 1.9512 2.3095 2.3104 8.2456 8.2534 8.9803 8.9904 10.6756 10.7004 11.0444 11.0774 11.5323 11.5647 k = 0.3919 0.2263 0.4412 ( 4476 PWs) bands (ev): -15.9987 -15.9972 -15.6571 -15.6555 -14.9572 -14.9554 -14.5172 -14.5138 -14.4521 -14.4492 -14.3400 -14.3376 -5.9893 -5.9866 -4.5800 -4.5694 -3.7089 -3.6921 -2.2543 -2.2261 -1.9265 -1.9105 -1.8268 -1.7959 -0.3780 -0.3758 -0.2580 -0.2529 0.4705 0.4829 0.6411 0.6490 1.0008 1.0066 1.2541 1.2563 1.3754 1.3834 1.5029 1.5134 1.6931 1.6945 1.7821 1.7863 1.9559 1.9591 2.3150 2.3158 8.2548 8.2620 9.0217 9.0314 10.6489 10.6719 11.0535 11.0822 11.5215 11.5389 k = 0.4054 0.2341 0.4412 ( 4476 PWs) bands (ev): -15.9950 -15.9936 -15.6317 -15.6301 -14.9878 -14.9860 -14.5195 -14.5164 -14.4544 -14.4518 -14.3407 -14.3386 -5.9501 -5.9473 -4.6175 -4.6078 -3.7091 -3.6942 -2.2492 -2.2236 -1.9100 -1.8960 -1.8343 -1.8064 -0.3774 -0.3756 -0.2583 -0.2537 0.4777 0.4895 0.6471 0.6548 0.9898 0.9947 1.2480 1.2498 1.3683 1.3753 1.5045 1.5139 1.6953 1.6967 1.7793 1.7830 1.9636 1.9665 2.3201 2.3208 8.2634 8.2699 9.0603 9.0694 10.6236 10.6446 11.0626 11.0866 11.5085 11.5179 k = 0.4189 0.2419 0.4412 ( 4484 PWs) bands (ev): -15.9916 -15.9905 -15.6071 -15.6056 -15.0168 -15.0152 -14.5216 -14.5188 -14.4564 -14.4542 -14.3412 -14.3394 -5.9136 -5.9109 -4.6522 -4.6436 -3.7090 -3.6962 -2.2443 -2.2216 -1.8955 -1.8835 -1.8407 -1.8162 -0.3767 -0.3751 -0.2580 -0.2539 0.4805 0.4909 0.6604 0.6670 0.9748 0.9788 1.2433 1.2450 1.3623 1.3683 1.5062 1.5144 1.6969 1.6983 1.7768 1.7801 1.9706 1.9731 2.3247 2.3253 8.2713 8.2770 9.0957 9.1039 10.6003 10.6189 11.0714 11.0909 11.4894 11.5051 k = 0.4324 0.2497 0.4412 ( 4484 PWs) bands (ev): -15.9888 -15.9878 -15.5839 -15.5825 -15.0438 -15.0423 -14.5234 -14.5210 -14.4580 -14.4561 -14.3417 -14.3402 -5.8805 -5.8781 -4.6835 -4.6760 -3.7088 -3.6981 -2.2397 -2.2202 -1.8832 -1.8733 -1.8455 -1.8249 -0.3759 -0.3747 -0.2574 -0.2538 0.4799 0.4884 0.6796 0.6848 0.9563 0.9595 1.2400 1.2417 1.3573 1.3622 1.5080 1.5150 1.6980 1.6994 1.7748 1.7776 1.9768 1.9788 2.3288 2.3292 8.2782 8.2831 9.1271 9.1344 10.5795 10.5956 11.0797 11.0948 11.4709 11.4935 k = 0.4459 0.2575 0.4412 ( 4478 PWs) bands (ev): -15.9864 -15.9856 -15.5628 -15.5615 -15.0679 -15.0666 -14.5249 -14.5229 -14.4592 -14.4577 -14.3420 -14.3408 -5.8518 -5.8497 -4.7105 -4.7044 -3.7084 -3.6998 -2.2355 -2.2195 -1.8735 -1.8659 -1.8482 -1.8322 -0.3752 -0.3742 -0.2564 -0.2535 0.4774 0.4840 0.7027 0.7066 0.9348 0.9373 1.2380 1.2396 1.3533 1.3573 1.5098 1.5155 1.6988 1.7000 1.7733 1.7756 1.9820 1.9836 2.3322 2.3325 8.2842 8.2881 9.1540 9.1601 10.5619 10.5751 11.0873 11.0984 11.4555 11.4804 k = 0.4595 0.2653 0.4412 ( 4466 PWs) bands (ev): -15.9844 -15.9838 -15.5446 -15.5435 -15.0884 -15.0873 -14.5261 -14.5245 -14.4601 -14.4590 -14.3423 -14.3413 -5.8281 -5.8264 -4.7325 -4.7278 -3.7079 -3.7014 -2.2316 -2.2193 -1.8672 -1.8617 -1.8479 -1.8376 -0.3745 -0.3737 -0.2554 -0.2532 0.4745 0.4792 0.7281 0.7307 0.9113 0.9131 1.2370 1.2383 1.3504 1.3534 1.5115 1.5158 1.6993 1.7003 1.7722 1.7739 1.9861 1.9874 2.3348 2.3351 8.2891 8.2921 9.1759 9.1807 10.5479 10.5580 11.0939 11.1015 11.4441 11.4665 k = 0.4730 0.2731 0.4412 ( 4474 PWs) bands (ev): -15.9830 -15.9826 -15.5303 -15.5296 -15.1042 -15.1034 -14.5268 -14.5258 -14.4607 -14.4599 -14.3424 -14.3418 -5.8104 -5.8092 -4.7487 -4.7454 -3.7072 -3.7028 -2.2282 -2.2199 -1.8644 -1.8600 -1.8458 -1.8405 -0.3739 -0.3734 -0.2545 -0.2530 0.4719 0.4750 0.7539 0.7555 0.8871 0.8883 1.2365 1.2374 1.3485 1.3505 1.5130 1.5159 1.6997 1.7004 1.7715 1.7727 1.9892 1.9900 2.3368 2.3369 8.2928 8.2948 9.1922 9.1955 10.5380 10.5449 11.0990 11.1038 11.4370 11.4537 k = 0.4865 0.2809 0.4412 ( 4470 PWs) bands (ev): -15.9821 -15.9819 -15.5212 -15.5208 -15.1141 -15.1137 -14.5272 -14.5267 -14.4610 -14.4606 -14.3424 -14.3421 -5.7994 -5.7987 -4.7583 -4.7567 -3.7063 -3.7041 -2.2252 -2.2210 -1.8631 -1.8604 -1.8436 -1.8413 -0.3735 -0.3733 -0.2537 -0.2530 0.4704 0.4719 0.7771 0.7779 0.8651 0.8657 1.2364 1.2369 1.3476 1.3485 1.5142 1.5157 1.6999 1.7003 1.7712 1.7718 1.9912 1.9916 2.3380 2.3381 8.2952 8.2962 9.2025 9.2042 10.5326 10.5361 11.1026 11.1049 11.4346 11.4435 k = 0.5000 0.2887 0.4412 ( 4460 PWs) bands (ev): -15.9817 -15.9817 -15.5178 -15.5178 -15.1173 -15.1173 -14.5271 -14.5271 -14.4609 -14.4609 -14.3423 -14.3423 -5.7954 -5.7954 -4.7611 -4.7611 -3.7053 -3.7053 -2.2228 -2.2228 -1.8618 -1.8618 -1.8420 -1.8420 -0.3733 -0.3733 -0.2532 -0.2532 0.4704 0.4704 0.7887 0.7887 0.8544 0.8544 1.2366 1.2366 1.3476 1.3476 1.5151 1.5151 1.7001 1.7001 1.7713 1.7713 1.9920 1.9920 2.3384 2.3384 8.2964 8.2964 9.2065 9.2065 10.5320 10.5320 11.1046 11.1046 11.4369 11.4369 k = 0.5000 0.2887 0.4412 ( 4460 PWs) bands (ev): -15.9817 -15.9817 -15.5178 -15.5178 -15.1173 -15.1173 -14.5271 -14.5271 -14.4609 -14.4609 -14.3423 -14.3423 -5.7954 -5.7954 -4.7611 -4.7611 -3.7053 -3.7053 -2.2228 -2.2228 -1.8618 -1.8618 -1.8420 -1.8420 -0.3733 -0.3733 -0.2532 -0.2532 0.4704 0.4704 0.7887 0.7887 0.8544 0.8544 1.2366 1.2366 1.3476 1.3476 1.5151 1.5151 1.7001 1.7001 1.7713 1.7713 1.9920 1.9920 2.3384 2.3384 8.2964 8.2964 9.2065 9.2065 10.5320 10.5320 11.1046 11.1046 11.4369 11.4369 k = 0.4921 0.3024 0.4412 ( 4468 PWs) bands (ev): -15.9816 -15.9814 -15.5178 -15.5172 -15.1180 -15.1175 -14.5272 -14.5267 -14.4613 -14.4607 -14.3430 -14.3427 -5.7942 -5.7935 -4.7627 -4.7611 -3.7073 -3.7055 -2.2222 -2.2217 -1.8630 -1.8613 -1.8430 -1.8418 -0.3745 -0.3733 -0.2524 -0.2506 0.4693 0.4703 0.7888 0.7891 0.8540 0.8541 1.2370 1.2376 1.3473 1.3473 1.5151 1.5155 1.6999 1.7001 1.7715 1.7719 1.9921 1.9922 2.3374 2.3376 8.2957 8.2969 9.2068 9.2091 10.5275 10.5301 11.1038 11.1078 11.4370 11.4375 k = 0.4841 0.3162 0.4412 ( 4468 PWs) bands (ev): -15.9809 -15.9806 -15.5170 -15.5159 -15.1194 -15.1184 -14.5271 -14.5261 -14.4617 -14.4605 -14.3446 -14.3440 -5.7901 -5.7887 -4.7661 -4.7628 -3.7114 -3.7079 -2.2197 -2.2187 -1.8649 -1.8615 -1.8448 -1.8422 -0.3767 -0.3745 -0.2483 -0.2448 0.4670 0.4690 0.7894 0.7900 0.8529 0.8530 1.2385 1.2398 1.3466 1.3466 1.5153 1.5161 1.6994 1.6999 1.7726 1.7734 1.9926 1.9929 2.3345 2.3349 8.2951 8.2975 9.2099 9.2146 10.5168 10.5218 11.1055 11.1133 11.4375 11.4387 k = 0.4762 0.3299 0.4412 ( 4470 PWs) bands (ev): -15.9798 -15.9793 -15.5155 -15.5139 -15.1216 -15.1201 -14.5266 -14.5251 -14.4623 -14.4604 -14.3472 -14.3463 -5.7829 -5.7809 -4.7712 -4.7663 -3.7175 -3.7124 -2.2155 -2.2139 -1.8676 -1.8624 -1.8473 -1.8432 -0.3796 -0.3766 -0.2412 -0.2363 0.4634 0.4664 0.7906 0.7915 0.8513 0.8515 1.2407 1.2428 1.3456 1.3458 1.5159 1.5170 1.6985 1.6992 1.7748 1.7759 1.9935 1.9939 2.3298 2.3304 8.2945 8.2980 9.2160 9.2228 10.5002 10.5074 11.1097 11.1209 11.4378 11.4402 k = 0.4683 0.3437 0.4412 ( 4470 PWs) bands (ev): -15.9782 -15.9776 -15.5132 -15.5111 -15.1246 -15.1226 -14.5259 -14.5239 -14.4629 -14.4605 -14.3507 -14.3496 -5.7728 -5.7701 -4.7781 -4.7716 -3.7255 -3.7189 -2.2095 -2.2076 -1.8711 -1.8640 -1.8505 -1.8449 -0.3828 -0.3793 -0.2313 -0.2254 0.4584 0.4624 0.7923 0.7935 0.8495 0.8498 1.2430 1.2460 1.3449 1.3454 1.5168 1.5182 1.6970 1.6978 1.7782 1.7796 1.9947 1.9953 2.3233 2.3242 8.2940 8.2985 9.2248 9.2338 10.4783 10.4875 11.1162 11.1305 11.4373 11.4412 k = 0.4603 0.3574 0.4412 ( 4468 PWs) bands (ev): -15.9762 -15.9754 -15.5102 -15.5077 -15.1284 -15.1259 -14.5249 -14.5225 -14.4636 -14.4606 -14.3551 -14.3537 -5.7599 -5.7564 -4.7868 -4.7788 -3.7351 -3.7270 -2.2020 -2.1997 -1.8754 -1.8661 -1.8544 -1.8470 -0.3859 -0.3823 -0.2192 -0.2125 0.4520 0.4569 0.7947 0.7962 0.8479 0.8483 1.2443 1.2484 1.3451 1.3462 1.5179 1.5195 1.6947 1.6955 1.7830 1.7846 1.9963 1.9970 2.3152 2.3162 8.2936 8.2990 9.2366 9.2476 10.4519 10.4627 11.1249 11.1418 11.4354 11.4413 k = 0.4524 0.3712 0.4412 ( 4472 PWs) bands (ev): -15.9738 -15.9729 -15.5064 -15.5034 -15.1331 -15.1301 -14.5236 -14.5207 -14.4644 -14.4608 -14.3604 -14.3587 -5.7440 -5.7399 -4.7975 -4.7881 -3.7459 -3.7367 -2.1930 -2.1905 -1.8804 -1.8690 -1.8588 -1.8496 -0.3888 -0.3853 -0.2052 -0.1979 0.4438 0.4497 0.7977 0.7995 0.8467 0.8472 1.2436 1.2488 1.3471 1.3489 1.5191 1.5210 1.6916 1.6922 1.7892 1.7908 1.9982 1.9990 2.3055 2.3068 8.2932 8.2994 9.2511 9.2640 10.4214 10.4336 11.1356 11.1548 11.4320 11.4402 k = 0.4444 0.3849 0.4412 ( 4472 PWs) bands (ev): -15.9711 -15.9700 -15.5018 -15.4983 -15.1386 -15.1352 -14.5221 -14.5188 -14.4652 -14.4610 -14.3663 -14.3644 -5.7254 -5.7206 -4.8101 -4.7995 -3.7578 -3.7475 -2.1828 -2.1801 -1.8861 -1.8726 -1.8635 -1.8526 -0.3914 -0.3880 -0.1895 -0.1819 0.4340 0.4407 0.8014 0.8035 0.8464 0.8470 1.2402 1.2464 1.3516 1.3540 1.5206 1.5226 1.6875 1.6880 1.7969 1.7985 2.0004 2.0014 2.2945 2.2959 8.2930 8.2998 9.2684 9.2831 10.3876 10.4010 11.1482 11.1693 11.4273 11.4377 k = 0.4365 0.3986 0.4412 ( 4468 PWs) bands (ev): -15.9681 -15.9670 -15.4963 -15.4924 -15.1450 -15.1412 -14.5203 -14.5165 -14.4660 -14.4613 -14.3729 -14.3707 -5.7041 -5.6987 -4.8248 -4.8131 -3.7702 -3.7593 -2.1714 -2.1687 -1.8925 -1.8772 -1.8682 -1.8559 -0.3935 -0.3905 -0.1724 -0.1645 0.4222 0.4298 0.8058 0.8084 0.8473 0.8479 1.2337 1.2407 1.3586 1.3615 1.5221 1.5242 1.6825 1.6827 1.8057 1.8073 2.0030 2.0040 2.2822 2.2838 8.2930 8.3003 9.2885 9.3047 10.3509 10.3653 11.1624 11.1852 11.4215 11.4343 k = 0.4286 0.4124 0.4412 ( 4472 PWs) bands (ev): -15.9649 -15.9637 -15.4899 -15.4856 -15.1524 -15.1482 -14.5182 -14.5140 -14.4669 -14.4616 -14.3800 -14.3777 -5.6802 -5.6741 -4.8418 -4.8291 -3.7830 -3.7715 -2.1592 -2.1565 -1.8994 -1.8828 -1.8728 -1.8595 -0.3952 -0.3925 -0.1541 -0.1460 0.4086 0.4168 0.8111 0.8141 0.8495 0.8501 1.2242 1.2317 1.3679 1.3711 1.5237 1.5258 1.6766 1.6766 1.8156 1.8170 2.0059 2.0070 2.2688 2.2705 8.2931 8.3007 9.3111 9.3287 10.3120 10.3272 11.1782 11.2024 11.4148 11.4301 k = 0.4206 0.4261 0.4412 ( 4480 PWs) bands (ev): -15.9616 -15.9603 -15.4825 -15.4779 -15.1608 -15.1562 -14.5159 -14.5113 -14.4677 -14.4619 -14.3876 -14.3851 -5.6538 -5.6471 -4.8611 -4.8476 -3.7957 -3.7840 -2.1463 -2.1437 -1.9067 -1.8894 -1.8771 -1.8634 -0.3964 -0.3941 -0.1347 -0.1263 0.3930 0.4019 0.8173 0.8206 0.8531 0.8537 1.2121 1.2199 1.3788 1.3822 1.5254 1.5274 1.6698 1.6700 1.8261 1.8275 2.0092 2.0104 2.2546 2.2564 8.2934 8.3011 9.3364 9.3552 10.2711 10.2870 11.1952 11.2207 11.4077 11.4254 k = 0.4127 0.4399 0.4412 ( 4484 PWs) bands (ev): -15.9581 -15.9568 -15.4741 -15.4692 -15.1701 -15.1653 -14.5133 -14.5084 -14.4686 -14.4622 -14.3954 -14.3928 -5.6250 -5.6177 -4.8828 -4.8687 -3.8081 -3.7963 -2.1328 -2.1304 -1.9145 -1.8967 -1.8813 -1.8675 -0.3972 -0.3953 -0.1142 -0.1057 0.3757 0.3851 0.8245 0.8281 0.8582 0.8588 1.1975 1.2055 1.3907 1.3942 1.5271 1.5291 1.6622 1.6628 1.8371 1.8384 2.0129 2.0142 2.2397 2.2416 8.2939 8.3015 9.3641 9.3840 10.2286 10.2451 11.2132 11.2400 11.4004 11.4207 k = 0.4048 0.4536 0.4412 ( 4472 PWs) bands (ev): -15.9547 -15.9534 -15.4647 -15.4594 -15.1806 -15.1754 -14.5105 -14.5052 -14.4694 -14.4626 -14.4035 -14.4007 -5.5939 -5.5860 -4.9069 -4.8924 -3.8198 -3.8083 -2.1190 -2.1170 -1.9224 -1.9046 -1.8853 -1.8718 -0.3976 -0.3961 -0.0928 -0.0841 0.3566 0.3665 0.8326 0.8367 0.8648 0.8654 1.1808 1.1889 1.4032 1.4066 1.5288 1.5308 1.6542 1.6550 1.8482 1.8494 2.0172 2.0185 2.2244 2.2263 8.2946 8.3020 9.3943 9.4150 10.1849 10.2020 11.2322 11.2600 11.3932 11.4161 k = 0.3968 0.4674 0.4412 ( 4468 PWs) bands (ev): -15.9514 -15.9501 -15.4541 -15.4487 -15.1921 -15.1868 -14.5074 -14.5018 -14.4701 -14.4628 -14.4117 -14.4088 -5.5607 -5.5522 -4.9336 -4.9189 -3.8306 -3.8196 -2.1050 -2.1034 -1.9306 -1.9129 -1.8891 -1.8762 -0.3978 -0.3966 -0.0705 -0.0617 0.3359 0.3462 0.8418 0.8462 0.8727 0.8733 1.1621 1.1703 1.4156 1.4190 1.5307 1.5326 1.6457 1.6468 1.8590 1.8601 2.0222 2.0235 2.2088 2.2107 8.2954 8.3025 9.4269 9.4482 10.1402 10.1577 11.2516 11.2803 11.3862 11.4121 k = 0.3889 0.4811 0.4412 ( 4476 PWs) bands (ev): -15.9482 -15.9470 -15.4424 -15.4367 -15.2047 -15.1992 -14.5041 -14.4983 -14.4708 -14.4631 -14.4198 -14.4169 -5.5254 -5.5164 -4.9628 -4.9480 -3.8402 -3.8300 -2.0911 -2.0899 -1.9387 -1.9215 -1.8928 -1.8805 -0.3978 -0.3969 -0.0475 -0.0384 0.3137 0.3243 0.8520 0.8568 0.8819 0.8824 1.1417 1.1499 1.4277 1.4309 1.5329 1.5348 1.6369 1.6382 1.8692 1.8702 2.0280 2.0293 2.1931 2.1950 8.2964 8.3030 9.4616 9.4835 10.0947 10.1126 11.2712 11.3004 11.3798 11.4089 k = 0.3810 0.4949 0.4412 ( 4480 PWs) bands (ev): -15.9452 -15.9441 -15.4295 -15.4237 -15.2185 -15.2129 -14.5006 -14.4946 -14.4714 -14.4632 -14.4278 -14.4248 -5.4883 -5.4787 -4.9945 -4.9799 -3.8486 -3.8394 -2.0774 -2.0768 -1.9469 -1.9303 -1.8960 -1.8848 -0.3975 -0.3969 -0.0237 -0.0144 0.2902 0.3011 0.8633 0.8685 0.8921 0.8926 1.1195 1.1277 1.4389 1.4419 1.5354 1.5374 1.6278 1.6294 1.8785 1.8794 2.0348 2.0360 2.1776 2.1795 8.2976 8.3034 9.4986 9.5208 10.0486 10.0667 11.2905 11.3197 11.3740 11.4070 k = 0.3730 0.5086 0.4412 ( 4484 PWs) bands (ev): -15.9426 -15.9416 -15.4154 -15.4094 -15.2335 -15.2278 -14.4969 -14.4907 -14.4719 -14.4633 -14.4355 -14.4324 -5.4495 -5.4393 -5.0287 -5.0143 -3.8556 -3.8476 -2.0642 -2.0641 -1.9549 -1.9393 -1.8989 -1.8890 -0.3972 -0.3969 0.0007 0.0104 0.2657 0.2768 0.8757 0.8812 0.9032 0.9037 1.0958 1.1040 1.4489 1.4516 1.5386 1.5408 1.6185 1.6204 1.8866 1.8873 2.0426 2.0438 2.1625 2.1642 8.2987 8.3039 9.5375 9.5601 10.0020 10.0203 11.3090 11.3370 11.3692 11.4070 k = 0.3651 0.5224 0.4412 ( 4484 PWs) bands (ev): -15.9403 -15.9394 -15.4000 -15.3939 -15.2495 -15.2438 -14.4931 -14.4868 -14.4723 -14.4634 -14.4429 -14.4395 -5.4091 -5.3984 -5.0652 -5.0513 -3.8611 -3.8545 -2.0522 -2.0517 -1.9626 -1.9481 -1.9012 -1.8929 -0.3969 -0.3967 0.0259 0.0359 0.2402 0.2514 0.8891 0.8950 0.9149 0.9155 1.0706 1.0787 1.4573 1.4595 1.5428 1.5452 1.6091 1.6112 1.8933 1.8938 2.0515 2.0526 2.1478 2.1493 8.3000 8.3042 9.5784 9.6012 9.9550 9.9734 11.3257 11.3510 11.3657 11.4095 k = 0.3571 0.5361 0.4412 ( 4480 PWs) bands (ev): -15.9384 -15.9377 -15.3833 -15.3772 -15.2667 -15.2611 -14.4890 -14.4829 -14.4727 -14.4635 -14.4497 -14.4460 -5.3672 -5.3559 -5.1040 -5.0907 -3.8651 -3.8600 -2.0413 -2.0404 -1.9699 -1.9566 -1.9029 -1.8963 -0.3966 -0.3964 0.0515 0.0619 0.2140 0.2253 0.9036 0.9098 0.9272 0.9279 1.0441 1.0521 1.4638 1.4655 1.5480 1.5508 1.5997 1.6020 1.8984 1.8988 2.0614 2.0623 2.1337 2.1350 8.3012 8.3044 9.6210 9.6440 9.9079 9.9261 11.3394 11.3607 11.3639 11.4146 k = 0.3492 0.5499 0.4412 ( 4480 PWs) bands (ev): -15.9370 -15.9365 -15.3654 -15.3593 -15.2850 -15.2795 -14.4848 -14.4793 -14.4732 -14.4638 -14.4558 -14.4513 -5.3242 -5.3123 -5.1448 -5.1323 -3.8677 -3.8642 -2.0320 -2.0309 -1.9762 -1.9641 -1.9038 -1.8993 -0.3963 -0.3962 0.0777 0.0885 0.1873 0.1985 0.9191 0.9255 0.9396 0.9406 1.0163 1.0242 1.4682 1.4694 1.5544 1.5577 1.5903 1.5928 1.9020 1.9022 2.0722 2.0730 2.1202 2.1213 8.3023 8.3045 9.6649 9.6885 9.8609 9.8784 11.3483 11.3649 11.3665 11.4207 k = 0.3413 0.5636 0.4412 ( 4476 PWs) bands (ev): -15.9361 -15.9358 -15.3465 -15.3401 -15.3042 -15.2990 -14.4806 -14.4767 -14.4740 -14.4642 -14.4606 -14.4546 -5.2804 -5.2674 -5.1872 -5.1760 -3.8688 -3.8670 -2.0253 -2.0244 -1.9808 -1.9696 -1.9040 -1.9017 -0.3961 -0.3961 0.1040 0.1155 0.1604 0.1714 0.9355 0.9419 0.9518 0.9536 0.9879 0.9953 1.4708 1.4714 1.5618 1.5657 1.5812 1.5836 1.9041 1.9042 2.0836 2.0842 2.1074 2.1083 8.3032 8.3044 9.7090 9.7345 9.8151 9.8305 11.3519 11.3680 11.3695 11.4252 k = 0.3333 0.5774 0.4412 ( 4476 PWs) bands (ev): -15.9357 -15.9357 -15.3305 -15.3202 -15.3202 -15.3192 -14.4767 -14.4767 -14.4756 -14.4635 -14.4635 -14.4556 -5.2449 -5.2222 -5.2222 -5.2210 -3.8686 -3.8686 -2.0224 -2.0224 -1.9825 -1.9716 -1.9032 -1.9032 -0.3960 -0.3960 0.1253 0.1389 0.1389 0.1481 0.9507 0.9561 0.9561 0.9666 0.9683 0.9683 1.4718 1.4718 1.5675 1.5744 1.5747 1.5747 1.9048 1.9048 2.0950 2.0958 2.0958 2.0960 8.3040 8.3040 9.7396 9.7801 9.7842 9.7842 11.3529 11.3700 11.3700 11.4267 k = 0.3333 0.5774 0.4412 ( 4476 PWs) bands (ev): -15.9357 -15.9357 -15.3305 -15.3202 -15.3202 -15.3192 -14.4767 -14.4767 -14.4756 -14.4635 -14.4635 -14.4556 -5.2449 -5.2222 -5.2222 -5.2210 -3.8686 -3.8686 -2.0224 -2.0224 -1.9825 -1.9716 -1.9032 -1.9032 -0.3960 -0.3960 0.1253 0.1389 0.1389 0.1481 0.9507 0.9561 0.9561 0.9666 0.9683 0.9683 1.4718 1.4718 1.5675 1.5744 1.5747 1.5747 1.9048 1.9048 2.0950 2.0958 2.0958 2.0960 8.3040 8.3040 9.7396 9.7801 9.7842 9.7842 11.3529 11.3700 11.3700 11.4267 k = 0.3254 0.5636 0.4412 ( 4480 PWs) bands (ev): -15.9361 -15.9358 -15.3475 -15.3413 -15.3030 -15.2980 -14.4793 -14.4792 -14.4723 -14.4639 -14.4612 -14.4547 -5.2815 -5.2689 -5.1857 -5.1748 -3.8688 -3.8670 -2.0255 -2.0240 -1.9810 -1.9698 -1.9040 -1.9016 -0.3961 -0.3961 0.1037 0.1155 0.1604 0.1718 0.9249 0.9328 0.9710 0.9749 0.9790 0.9834 1.4710 1.4714 1.5613 1.5657 1.5811 1.5841 1.9041 1.9042 2.0840 2.0842 2.1074 2.1078 8.3032 8.3044 9.7084 9.7334 9.8162 9.8310 11.3512 11.3672 11.3705 11.4259 k = 0.3175 0.5499 0.4412 ( 4480 PWs) bands (ev): -15.9370 -15.9365 -15.3696 -15.3639 -15.2803 -15.2752 -14.4829 -14.4829 -14.4694 -14.4619 -14.4587 -14.4522 -5.3290 -5.3177 -5.1393 -5.1274 -3.8680 -3.8643 -2.0322 -2.0288 -1.9773 -1.9654 -1.9039 -1.8990 -0.3963 -0.3963 0.0767 0.0882 0.1879 0.1999 0.8936 0.9012 0.9867 0.9875 0.9940 1.0020 1.4693 1.4701 1.5527 1.5569 1.5906 1.5940 1.9023 1.9025 2.0731 2.0733 2.1193 2.1195 8.3021 8.3044 9.6618 9.6845 9.8646 9.8811 11.3439 11.3589 11.3726 11.4255 k = 0.3095 0.5361 0.4412 ( 4476 PWs) bands (ev): -15.9385 -15.9378 -15.3928 -15.3874 -15.2563 -15.2512 -14.4865 -14.4865 -14.4673 -14.4582 -14.4566 -14.4484 -5.3782 -5.3678 -5.0917 -5.0794 -3.8660 -3.8605 -2.0411 -2.0354 -1.9730 -1.9602 -1.9028 -1.8954 -0.3967 -0.3966 0.0498 0.0610 0.2159 0.2282 0.8614 0.8688 0.9986 0.9988 1.0131 1.0222 1.4669 1.4681 1.5440 1.5484 1.6006 1.6042 1.8996 1.8999 2.0625 2.0631 2.1309 2.1310 8.3005 8.3039 9.6134 9.6352 9.9157 9.9323 11.3303 11.3440 11.3778 11.4281 k = 0.3016 0.5224 0.4412 ( 4476 PWs) bands (ev): -15.9406 -15.9396 -15.4168 -15.4117 -15.2311 -15.2262 -14.4900 -14.4898 -14.4654 -14.4546 -14.4536 -14.4438 -5.4286 -5.4191 -5.0435 -5.0309 -3.8630 -3.8556 -2.0512 -2.0431 -1.9691 -1.9552 -1.9008 -1.8909 -0.3972 -0.3971 0.0233 0.0343 0.2441 0.2568 0.8287 0.8359 1.0090 1.0092 1.0338 1.0434 1.4642 1.4656 1.5356 1.5402 1.6108 1.6144 1.8960 1.8963 2.0524 2.0535 2.1421 2.1421 8.2984 8.3030 9.5643 9.5854 9.9682 9.9846 11.3122 11.3237 11.3858 11.4344 k = 0.2937 0.5086 0.4412 ( 4476 PWs) bands (ev): -15.9432 -15.9420 -15.4416 -15.4366 -15.2048 -15.2001 -14.4930 -14.4926 -14.4635 -14.4525 -14.4485 -14.4389 -5.4802 -5.4713 -4.9949 -4.9820 -3.8591 -3.8499 -2.0619 -2.0515 -1.9659 -1.9510 -1.8980 -1.8854 -0.3978 -0.3977 -0.0026 0.0083 0.2724 0.2853 0.7958 0.8027 1.0181 1.0184 1.0555 1.0653 1.4613 1.4629 1.5274 1.5322 1.6211 1.6247 1.8916 1.8920 2.0427 2.0442 2.1526 2.1527 8.2958 8.3014 9.5146 9.5352 10.0218 10.0376 11.2912 11.2997 11.3960 11.4437 k = 0.2857 0.4949 0.4412 ( 4460 PWs) bands (ev): -15.9463 -15.9449 -15.4669 -15.4622 -15.1775 -15.1730 -14.4956 -14.4951 -14.4613 -14.4503 -14.4433 -14.4337 -5.5325 -5.5244 -4.9459 -4.9329 -3.8544 -3.8434 -2.0731 -2.0602 -1.9639 -1.9478 -1.8942 -1.8790 -0.3984 -0.3984 -0.0275 -0.0168 0.3008 0.3139 0.7627 0.7694 1.0261 1.0266 1.0779 1.0879 1.4583 1.4601 1.5195 1.5245 1.6315 1.6349 1.8865 1.8870 2.0334 2.0354 2.1624 2.1626 8.2926 8.2993 9.4644 9.4845 10.0762 10.0914 11.2688 11.2739 11.4085 11.4558 k = 0.2778 0.4811 0.4412 ( 4464 PWs) bands (ev): -15.9499 -15.9483 -15.4927 -15.4882 -15.1494 -15.1450 -14.4977 -14.4970 -14.4589 -14.4478 -14.4380 -14.4284 -5.5855 -5.5780 -4.8968 -4.8837 -3.8490 -3.8362 -2.0846 -2.0694 -1.9631 -1.9461 -1.8894 -1.8715 -0.3993 -0.3992 -0.0513 -0.0409 0.3292 0.3423 0.7298 0.7361 1.0328 1.0335 1.1009 1.1110 1.4555 1.4574 1.5120 1.5171 1.6417 1.6450 1.8807 1.8813 2.0242 2.0267 2.1714 2.1717 8.2888 8.2964 9.4137 9.4333 10.1311 10.1457 11.2458 11.2472 11.4233 11.4703 k = 0.2698 0.4674 0.4412 ( 4464 PWs) bands (ev): -15.9539 -15.9522 -15.5189 -15.5147 -15.1203 -15.1162 -14.4994 -14.4986 -14.4563 -14.4452 -14.4325 -14.4230 -5.6390 -5.6321 -4.8476 -4.8345 -3.8429 -3.8284 -2.0964 -2.0787 -1.9640 -1.9460 -1.8837 -1.8631 -0.4001 -0.3999 -0.0738 -0.0636 0.3574 0.3705 0.6970 0.7030 1.0382 1.0390 1.1244 1.1344 1.4530 1.4548 1.5047 1.5100 1.6518 1.6548 1.8744 1.8751 2.0153 2.0183 2.1796 2.1799 8.2843 8.2928 9.3625 9.3816 10.1863 10.2003 11.2207 11.2231 11.4402 11.4871 k = 0.2619 0.4536 0.4412 ( 4462 PWs) bands (ev): -15.9584 -15.9565 -15.5454 -15.5414 -15.0905 -15.0866 -14.5007 -14.4997 -14.4534 -14.4423 -14.4270 -14.4176 -5.6929 -5.6865 -4.7984 -4.7853 -3.8362 -3.8201 -2.1082 -2.0883 -1.9665 -1.9476 -1.8770 -1.8537 -0.4010 -0.4006 -0.0948 -0.0849 0.3856 0.3985 0.6646 0.6703 1.0422 1.0432 1.1481 1.1581 1.4508 1.4526 1.4979 1.5032 1.6615 1.6642 1.8677 1.8684 2.0066 2.0102 2.1869 2.1873 8.2792 8.2884 9.3108 9.3293 10.2417 10.2550 11.1950 11.2014 11.4594 11.5060 k = 0.2540 0.4399 0.4412 ( 4456 PWs) bands (ev): -15.9633 -15.9612 -15.5722 -15.5684 -15.0600 -15.0563 -14.5016 -14.5005 -14.4503 -14.4392 -14.4214 -14.4121 -5.7469 -5.7411 -4.7492 -4.7363 -3.8291 -3.8114 -2.1202 -2.0982 -1.9709 -1.9511 -1.8694 -1.8435 -0.4018 -0.4012 -0.1142 -0.1046 0.4135 0.4262 0.6328 0.6381 1.0448 1.0460 1.1721 1.1818 1.4490 1.4509 1.4914 1.4968 1.6707 1.6731 1.8605 1.8613 1.9981 2.0022 2.1933 2.1938 8.2734 8.2834 9.2586 9.2765 10.2969 10.3097 11.1705 11.1810 11.4807 11.5272 k = 0.2460 0.4261 0.4412 ( 4464 PWs) bands (ev): -15.9685 -15.9663 -15.5990 -15.5954 -15.0289 -15.0254 -14.5022 -14.5008 -14.4469 -14.4359 -14.4158 -14.4066 -5.8010 -5.7957 -4.7003 -4.6875 -3.8217 -3.8023 -2.1322 -2.1081 -1.9773 -1.9565 -1.8608 -1.8325 -0.4024 -0.4016 -0.1318 -0.1225 0.4411 0.4535 0.6016 0.6065 1.0460 1.0474 1.1961 1.2054 1.4477 1.4495 1.4853 1.4906 1.6794 1.6814 1.8529 1.8538 1.9897 1.9945 2.1989 2.1995 8.2669 8.2775 9.2059 9.2231 10.3518 10.3640 11.1474 11.1622 11.5042 11.5504 k = 0.2381 0.4124 0.4412 ( 4464 PWs) bands (ev): -15.9740 -15.9717 -15.6259 -15.6225 -14.9972 -14.9940 -14.5024 -14.5009 -14.4433 -14.4324 -14.4102 -14.4012 -5.8550 -5.8502 -4.6516 -4.6390 -3.8139 -3.7931 -2.1443 -2.1183 -1.9856 -1.9638 -1.8515 -1.8208 -0.4029 -0.4017 -0.1475 -0.1384 0.4684 0.4803 0.5713 0.5759 1.0459 1.0475 1.2199 1.2287 1.4470 1.4487 1.4795 1.4847 1.6872 1.6888 1.8451 1.8460 1.9817 1.9870 2.2037 2.2043 8.2599 8.2710 9.1528 9.1694 10.4059 10.4178 11.1260 11.1452 11.5298 11.5756 k = 0.2302 0.3986 0.4412 ( 4462 PWs) bands (ev): -15.9798 -15.9774 -15.6527 -15.6495 -14.9652 -14.9621 -14.5022 -14.5007 -14.4395 -14.4287 -14.4047 -14.3957 -5.9089 -5.9045 -4.6032 -4.5908 -3.8059 -3.7836 -2.1564 -2.1285 -1.9958 -1.9730 -1.8415 -1.8086 -0.4030 -0.4015 -0.1613 -0.1525 0.4949 0.5063 0.5422 0.5464 1.0445 1.0462 1.2435 1.2516 1.4468 1.4483 1.4742 1.4790 1.6940 1.6952 1.8370 1.8381 1.9741 1.9800 2.2078 2.2084 8.2523 8.2638 9.0993 9.1152 10.4592 10.4706 11.1063 11.1300 11.5574 11.6028 k = 0.2222 0.3849 0.4412 ( 4466 PWs) bands (ev): -15.9859 -15.9834 -15.6793 -15.6763 -14.9328 -14.9299 -14.5019 -14.5002 -14.4355 -14.4249 -14.3991 -14.3904 -5.9624 -5.9584 -4.5552 -4.5431 -3.7977 -3.7741 -2.1686 -2.1390 -2.0078 -1.9841 -1.8309 -1.7961 -0.4028 -0.4008 -0.1730 -0.1644 0.5116 0.5120 0.5272 0.5343 1.0419 1.0436 1.2665 1.2738 1.4471 1.4484 1.4693 1.4736 1.6996 1.7003 1.8288 1.8300 1.9669 1.9733 2.2112 2.2119 8.2441 8.2560 9.0456 9.0608 10.5111 10.5224 11.0882 11.1165 11.5869 11.6317 k = 0.2143 0.3712 0.4412 ( 4466 PWs) bands (ev): -15.9921 -15.9896 -15.7057 -15.7029 -14.9001 -14.8975 -14.5012 -14.4995 -14.4314 -14.4209 -14.3936 -14.3850 -6.0154 -6.0118 -4.5076 -4.4959 -3.7894 -3.7646 -2.1807 -2.1495 -2.0216 -1.9970 -1.8201 -1.7834 -0.4021 -0.3996 -0.1827 -0.1744 0.4851 0.4879 0.5497 0.5589 1.0381 1.0400 1.2889 1.2952 1.4480 1.4487 1.4650 1.4685 1.7038 1.7041 1.8205 1.8218 1.9603 1.9673 2.2141 2.2148 8.2354 8.2475 8.9917 9.0063 10.5616 10.5727 11.0719 11.1045 11.6179 11.6623 k = 0.2063 0.3574 0.4412 ( 4462 PWs) bands (ev): -15.9985 -15.9960 -15.7317 -15.7291 -14.8673 -14.8649 -14.5004 -14.4985 -14.4271 -14.4169 -14.3881 -14.3798 -6.0679 -6.0646 -4.4604 -4.4492 -3.7811 -3.7551 -2.1929 -2.1602 -2.0371 -2.0115 -1.8091 -1.7707 -0.4008 -0.3978 -0.1903 -0.1823 0.4589 0.4616 0.5752 0.5837 1.0334 1.0353 1.3103 1.3154 1.4488 1.4492 1.4617 1.4637 1.7064 1.7064 1.8122 1.8137 1.9544 1.9618 2.2165 2.2172 8.2264 8.2386 8.9378 8.9517 10.6101 10.6213 11.0570 11.0938 11.6492 11.6732 k = 0.1984 0.3437 0.4412 ( 4458 PWs) bands (ev): -16.0051 -16.0025 -15.7574 -15.7549 -14.8345 -14.8323 -14.4993 -14.4974 -14.4227 -14.4127 -14.3827 -14.3746 -6.1197 -6.1167 -4.4138 -4.4030 -3.7728 -3.7458 -2.2050 -2.1711 -2.0539 -2.0276 -1.7981 -1.7582 -0.3987 -0.3952 -0.1961 -0.1884 0.4340 0.4364 0.6004 0.6081 1.0278 1.0296 1.3305 1.3342 1.4479 1.4504 1.4595 1.4603 1.7071 1.7074 1.8040 1.8057 1.9492 1.9569 2.2186 2.2193 8.2169 8.2293 8.8841 8.8973 10.6564 10.6680 11.0436 11.0841 11.6661 11.6890 k = 0.1905 0.3299 0.4412 ( 4458 PWs) bands (ev): -16.0117 -16.0091 -15.7825 -15.7803 -14.8018 -14.7998 -14.4981 -14.4962 -14.4181 -14.4084 -14.3774 -14.3695 -6.1706 -6.1680 -4.3677 -4.3574 -3.7646 -3.7366 -2.2171 -2.1821 -2.0720 -2.0450 -1.7873 -1.7460 -0.3959 -0.3918 -0.2000 -0.1926 0.4103 0.4125 0.6252 0.6319 1.0214 1.0233 1.3492 1.3514 1.4455 1.4497 1.4576 1.4610 1.7062 1.7067 1.7960 1.7979 1.9447 1.9527 2.2206 2.2213 8.2073 8.2196 8.8306 8.8431 10.7002 10.7123 11.0315 11.0752 11.6679 11.7225 k = 0.1825 0.3162 0.4412 ( 4470 PWs) bands (ev): -16.0184 -16.0158 -15.8072 -15.8050 -14.7692 -14.7674 -14.4967 -14.4948 -14.4135 -14.4041 -14.3722 -14.3645 -6.2207 -6.2183 -4.3223 -4.3125 -3.7565 -3.7278 -2.2292 -2.1934 -2.0910 -2.0636 -1.7769 -1.7344 -0.3921 -0.3875 -0.2023 -0.1951 0.3881 0.3899 0.6496 0.6552 1.0146 1.0164 1.3662 1.3665 1.4424 1.4464 1.4589 1.4631 1.7038 1.7043 1.7884 1.7905 1.9408 1.9491 2.2225 2.2231 8.1974 8.2096 8.7776 8.7895 10.7412 10.7542 11.0206 11.0668 11.6701 11.7579 k = 0.1746 0.3024 0.4412 ( 4470 PWs) bands (ev): -16.0251 -16.0225 -15.8312 -15.8292 -14.7369 -14.7353 -14.4953 -14.4933 -14.4089 -14.3998 -14.3671 -14.3597 -6.2697 -6.2676 -4.2775 -4.2683 -3.7486 -3.7192 -2.2413 -2.2049 -2.1108 -2.0832 -1.7669 -1.7234 -0.3874 -0.3822 -0.2030 -0.1962 0.3672 0.3689 0.6734 0.6779 1.0073 1.0090 1.3793 1.3811 1.4393 1.4422 1.4615 1.4658 1.7000 1.7005 1.7812 1.7835 1.9375 1.9459 2.2245 2.2250 8.1874 8.1995 8.7252 8.7365 10.7790 10.7934 11.0111 11.0589 11.6735 11.7938 k = 0.1667 0.2887 0.4412 ( 4472 PWs) bands (ev): -16.0317 -16.0292 -15.8545 -15.8527 -14.7050 -14.7036 -14.4937 -14.4917 -14.4042 -14.3955 -14.3621 -14.3550 -6.3176 -6.3157 -4.2334 -4.2249 -3.7409 -3.7109 -2.2533 -2.2167 -2.1310 -2.1035 -1.7576 -1.7133 -0.3815 -0.3759 -0.2025 -0.1959 0.3479 0.3493 0.6967 0.7001 0.9999 1.0014 1.3892 1.3932 1.4368 1.4383 1.4644 1.4689 1.6951 1.6954 1.7747 1.7771 1.9347 1.9430 2.2266 2.2271 8.1774 8.1893 8.6737 8.6843 10.8131 10.8297 11.0031 11.0512 11.6777 11.8066 k = 0.1587 0.2749 0.4412 ( 4472 PWs) bands (ev): -16.0383 -16.0358 -15.8772 -15.8755 -14.6735 -14.6724 -14.4921 -14.4901 -14.3995 -14.3911 -14.3573 -14.3504 -6.3642 -6.3625 -4.1900 -4.1822 -3.7335 -3.7031 -2.2654 -2.2289 -2.1514 -2.1242 -1.7491 -1.7042 -0.3746 -0.3685 -0.2010 -0.1946 0.3301 0.3313 0.7194 0.7217 0.9925 0.9938 1.3955 1.4015 1.4354 1.4357 1.4674 1.4720 1.6894 1.6894 1.7688 1.7715 1.9320 1.9401 2.2290 2.2294 8.1675 8.1790 8.6231 8.6332 10.8432 10.8630 10.9971 11.0439 11.6819 11.8129 k = 0.1508 0.2612 0.4412 ( 4476 PWs) bands (ev): -16.0448 -16.0424 -15.8990 -15.8974 -14.6427 -14.6418 -14.4904 -14.4884 -14.3949 -14.3869 -14.3526 -14.3460 -6.4095 -6.4079 -4.1475 -4.1404 -3.7264 -3.6958 -2.2774 -2.2416 -2.1716 -2.1453 -1.7414 -1.6962 -0.3665 -0.3599 -0.1986 -0.1925 0.3139 0.3149 0.7415 0.7428 0.9853 0.9864 1.3977 1.4047 1.4354 1.4355 1.4701 1.4750 1.6828 1.6832 1.7638 1.7667 1.9293 1.9373 2.2318 2.2320 8.1576 8.1689 8.5738 8.5833 10.8685 10.8932 10.9935 11.0369 11.6852 11.8167 k = 0.1429 0.2474 0.4412 ( 4476 PWs) bands (ev): -16.0512 -16.0489 -15.9200 -15.9185 -14.6127 -14.6120 -14.4886 -14.4866 -14.3902 -14.3826 -14.3480 -14.3418 -6.4533 -6.4519 -4.1059 -4.0994 -3.7196 -3.6889 -2.2894 -2.2548 -2.1914 -2.1665 -1.7346 -1.6894 -0.3572 -0.3503 -0.1955 -0.1897 0.2992 0.3001 0.7631 0.7633 0.9784 0.9793 1.3965 1.4029 1.4363 1.4376 1.4722 1.4774 1.6761 1.6770 1.7598 1.7627 1.9265 1.9342 2.2349 2.2350 8.1480 8.1589 8.5258 8.5348 10.8882 10.9203 10.9934 11.0305 11.6863 11.8167 k = 0.1349 0.2337 0.4412 ( 4486 PWs) bands (ev): -16.0574 -16.0552 -15.9401 -15.9388 -14.5835 -14.5830 -14.4868 -14.4848 -14.3857 -14.3785 -14.3436 -14.3377 -6.4955 -6.4942 -4.0652 -4.0595 -3.7131 -3.6825 -2.3014 -2.2687 -2.2104 -2.1875 -1.7288 -1.6838 -0.3469 -0.3397 -0.1921 -0.1866 0.2860 0.2869 0.7832 0.7840 0.9721 0.9727 1.3927 1.3980 1.4371 1.4400 1.4736 1.4789 1.6698 1.6712 1.7567 1.7597 1.9232 1.9306 2.2383 2.2384 8.1387 8.1492 8.4794 8.4878 10.9018 10.9441 10.9974 11.0248 11.6841 11.8115 k = 0.1270 0.2199 0.4412 ( 4474 PWs) bands (ev): -16.0635 -16.0613 -15.9593 -15.9581 -14.5553 -14.5552 -14.4849 -14.4829 -14.3812 -14.3745 -14.3394 -14.3339 -6.5360 -6.5349 -4.0256 -4.0206 -3.7070 -3.6767 -2.3133 -2.2831 -2.2284 -2.2082 -1.7239 -1.6794 -0.3355 -0.3281 -0.1885 -0.1832 0.2743 0.2752 0.8025 0.8043 0.9665 0.9669 1.3873 1.3913 1.4370 1.4416 1.4737 1.4794 1.6643 1.6662 1.7546 1.7576 1.9195 1.9266 2.2421 2.2423 8.1298 8.1398 8.4347 8.4427 10.9098 10.9646 11.0050 11.0202 11.6777 11.8005 k = 0.1190 0.2062 0.4412 ( 4466 PWs) bands (ev): -16.0693 -16.0672 -15.9775 -15.9764 -14.5287 -14.5285 -14.4828 -14.4807 -14.3768 -14.3706 -14.3354 -14.3302 -6.5746 -6.5737 -3.9872 -3.9828 -3.7013 -3.6715 -2.3251 -2.2981 -2.2452 -2.2283 -1.7200 -1.6763 -0.3231 -0.3156 -0.1850 -0.1799 0.2640 0.2649 0.8212 0.8239 0.9619 0.9619 1.3808 1.3837 1.4356 1.4416 1.4724 1.4782 1.6601 1.6626 1.7535 1.7564 1.9152 1.9219 2.2462 2.2466 8.1212 8.1307 8.3919 8.3994 10.9141 10.9816 11.0149 11.0173 11.6667 11.7837 k = 0.1111 0.1925 0.4412 ( 4450 PWs) bands (ev): -16.0748 -16.0728 -15.9947 -15.9937 -14.5046 -14.5038 -14.4797 -14.4773 -14.3725 -14.3669 -14.3316 -14.3267 -6.6114 -6.6106 -3.9500 -3.9464 -3.6959 -3.6669 -2.3368 -2.3135 -2.2610 -2.2477 -1.7169 -1.6743 -0.3100 -0.3024 -0.1815 -0.1767 0.2551 0.2560 0.8393 0.8428 0.9580 0.9583 1.3735 1.3753 1.4330 1.4400 1.4695 1.4754 1.6577 1.6605 1.7533 1.7560 1.9102 1.9165 2.2505 2.2510 8.1131 8.1221 8.3512 8.3581 10.9164 10.9940 11.0173 11.0255 11.6509 11.7615 k = 0.1032 0.1787 0.4412 ( 4466 PWs) bands (ev): -16.0801 -16.0782 -16.0109 -16.0100 -14.4874 -14.4867 -14.4703 -14.4684 -14.3684 -14.3633 -14.3280 -14.3234 -6.6462 -6.6455 -3.9142 -3.9112 -3.6909 -3.6628 -2.3483 -2.3288 -2.2758 -2.2663 -1.7147 -1.6735 -0.2962 -0.2887 -0.1783 -0.1737 0.2474 0.2484 0.8567 0.8608 0.9552 0.9558 1.3656 1.3665 1.4290 1.4369 1.4647 1.4705 1.6572 1.6602 1.7539 1.7563 1.9044 1.9104 2.2550 2.2557 8.1054 8.1139 8.3126 8.3191 10.9182 11.0004 11.0220 11.0356 11.6307 11.7348 k = 0.0952 0.1650 0.4412 ( 4462 PWs) bands (ev): -16.0851 -16.0833 -16.0260 -16.0252 -14.4816 -14.4813 -14.4504 -14.4499 -14.3644 -14.3599 -14.3246 -14.3204 -6.6789 -6.6783 -3.8800 -3.8776 -3.6862 -3.6593 -2.3597 -2.3439 -2.2898 -2.2839 -1.7131 -1.6736 -0.2820 -0.2746 -0.1754 -0.1711 0.2408 0.2418 0.8734 0.8781 0.9536 0.9545 1.3573 1.3574 1.4239 1.4323 1.4583 1.4639 1.6588 1.6619 1.7551 1.7572 1.8979 1.9034 2.2597 2.2605 8.0983 8.1062 8.2764 8.2824 10.9203 11.0029 11.0297 11.0447 11.6069 11.7046 k = 0.0873 0.1512 0.4412 ( 4454 PWs) bands (ev): -16.0897 -16.0881 -16.0400 -16.0392 -14.4794 -14.4787 -14.4295 -14.4292 -14.3605 -14.3567 -14.3214 -14.3175 -6.7094 -6.7088 -3.8475 -3.8457 -3.6820 -3.6564 -2.3706 -2.3584 -2.3030 -2.3004 -1.7121 -1.6747 -0.2675 -0.2604 -0.1729 -0.1689 0.2352 0.2363 0.8893 0.8945 0.9533 0.9545 1.3482 1.3489 1.4179 1.4266 1.4504 1.4555 1.6623 1.6654 1.7569 1.7586 1.8906 1.8957 2.2644 2.2652 8.0918 8.0990 8.2426 8.2481 10.9232 11.0048 11.0373 11.0527 11.5802 11.6718 k = 0.0794 0.1375 0.4412 ( 4454 PWs) bands (ev): -16.0941 -16.0926 -16.0529 -16.0522 -14.4777 -14.4769 -14.4100 -14.4092 -14.3567 -14.3537 -14.3184 -14.3149 -6.7376 -6.7371 -3.8169 -3.8155 -3.6780 -3.6541 -2.3812 -2.3721 -2.3157 -2.3155 -1.7116 -1.6765 -0.2531 -0.2463 -0.1707 -0.1670 0.2305 0.2316 0.9043 0.9099 0.9543 0.9557 1.3392 1.3405 1.4112 1.4198 1.4413 1.4458 1.6676 1.6705 1.7590 1.7604 1.8825 1.8872 2.2690 2.2699 8.0858 8.0924 8.2114 8.2165 10.9273 11.0073 11.0441 11.0595 11.5516 11.6374 k = 0.0714 0.1237 0.4412 ( 4450 PWs) bands (ev): -16.0980 -16.0967 -16.0646 -16.0640 -14.4763 -14.4755 -14.3923 -14.3908 -14.3529 -14.3508 -14.3156 -14.3125 -6.7634 -6.7629 -3.7883 -3.7874 -3.6744 -3.6523 -2.3913 -2.3848 -2.3298 -2.3274 -1.7114 -1.6789 -0.2390 -0.2325 -0.1689 -0.1655 0.2264 0.2276 0.9185 0.9242 0.9564 0.9580 1.3305 1.3324 1.4040 1.4123 1.4315 1.4352 1.6745 1.6771 1.7613 1.7624 1.8737 1.8780 2.2735 2.2744 8.0804 8.0864 8.1829 8.1875 10.9325 11.0105 11.0499 11.0653 11.5220 11.6021 k = 0.0635 0.1100 0.4412 ( 4448 PWs) bands (ev): -16.1016 -16.1004 -16.0751 -16.0746 -14.4750 -14.4743 -14.3769 -14.3742 -14.3487 -14.3481 -14.3130 -14.3102 -6.7867 -6.7863 -3.7620 -3.7614 -3.6711 -3.6509 -2.4007 -2.3963 -2.3425 -2.3386 -1.7114 -1.6817 -0.2254 -0.2193 -0.1674 -0.1644 0.2230 0.2241 0.9316 0.9373 0.9595 0.9613 1.3224 1.3247 1.3966 1.4041 1.4213 1.4240 1.6826 1.6849 1.7637 1.7645 1.8642 1.8682 2.2777 2.2786 8.0757 8.0810 8.1572 8.1613 10.9391 11.0142 11.0553 11.0703 11.4921 11.5666 k = 0.0556 0.0962 0.4412 ( 4452 PWs) bands (ev): -16.1048 -16.1037 -16.0845 -16.0840 -14.4740 -14.4733 -14.3645 -14.3602 -14.3449 -14.3437 -14.3105 -14.3082 -6.8074 -6.8071 -3.7381 -3.7378 -3.6680 -3.6501 -2.4094 -2.4066 -2.3538 -2.3490 -1.7115 -1.6849 -0.2126 -0.2070 -0.1661 -0.1636 0.2201 0.2212 0.9436 0.9491 0.9635 0.9654 1.3149 1.3177 1.3891 1.3956 1.4112 1.4127 1.6918 1.6938 1.7662 1.7667 1.8541 1.8577 2.2816 2.2825 8.0715 8.0762 8.1343 8.1379 10.9468 11.0179 11.0606 11.0747 11.4628 11.5316 k = 0.0476 0.0825 0.4412 ( 4448 PWs) bands (ev): -16.1076 -16.1067 -16.0926 -16.0922 -14.4730 -14.4725 -14.3560 -14.3506 -14.3397 -14.3369 -14.3082 -14.3063 -6.8256 -6.8253 -3.7170 -3.7168 -3.6652 -3.6497 -2.4172 -2.4155 -2.3637 -2.3585 -1.7115 -1.6883 -0.2009 -0.1958 -0.1651 -0.1630 0.2177 0.2187 0.9544 0.9595 0.9681 0.9700 1.3085 1.3114 1.3818 1.3870 1.4015 1.4017 1.7019 1.7035 1.7685 1.7688 1.8435 1.8466 2.2852 2.2859 8.0679 8.0719 8.1144 8.1175 10.9555 11.0210 11.0663 11.0787 11.4351 11.4978 k = 0.0397 0.0687 0.4412 ( 4452 PWs) bands (ev): -16.1099 -16.1092 -16.0995 -16.0991 -14.4722 -14.4717 -14.3509 -14.3463 -14.3315 -14.3293 -14.3059 -14.3044 -6.8410 -6.8408 -3.6987 -3.6985 -3.6626 -3.6496 -2.4241 -2.4231 -2.3720 -2.3670 -1.7114 -1.6917 -0.1905 -0.1860 -0.1642 -0.1626 0.2157 0.2166 0.9638 0.9684 0.9731 0.9747 1.3030 1.3060 1.3749 1.3787 1.3915 1.3926 1.7128 1.7140 1.7705 1.7707 1.8324 1.8351 2.2882 2.2889 8.0650 8.0683 8.0975 8.1001 10.9650 11.0229 11.0727 11.0824 11.4099 11.4657 k = 0.0317 0.0550 0.4412 ( 4444 PWs) bands (ev): -16.1119 -16.1112 -16.1051 -16.1049 -14.4715 -14.4711 -14.3477 -14.3443 -14.3236 -14.3223 -14.3035 -14.3026 -6.8538 -6.8536 -3.6835 -3.6832 -3.6602 -3.6499 -2.4298 -2.4294 -2.3788 -2.3743 -1.7110 -1.6951 -0.1817 -0.1778 -0.1634 -0.1623 0.2141 0.2149 0.9718 0.9755 0.9780 0.9793 1.2988 1.3017 1.3687 1.3710 1.3826 1.3846 1.7241 1.7250 1.7723 1.7724 1.8209 1.8232 2.2909 2.2914 8.0626 8.0653 8.0836 8.0857 10.9749 11.0234 11.0795 11.0860 11.3882 11.4360 k = 0.0238 0.0412 0.4412 ( 4436 PWs) bands (ev): -16.1134 -16.1129 -16.1095 -16.1093 -14.4710 -14.4707 -14.3455 -14.3431 -14.3177 -14.3171 -14.3011 -14.3006 -6.8637 -6.8636 -3.6716 -3.6711 -3.6579 -3.6506 -2.4344 -2.4342 -2.3840 -2.3803 -1.7104 -1.6983 -0.1748 -0.1715 -0.1625 -0.1620 0.2129 0.2135 0.9782 0.9808 0.9827 0.9834 1.2957 1.2982 1.3635 1.3646 1.3753 1.3777 1.7360 1.7364 1.7737 1.7738 1.8091 1.8110 2.2929 2.2934 8.0609 8.0628 8.0728 8.0744 10.9847 11.0222 11.0860 11.0895 11.3713 11.4096 k = 0.0159 0.0275 0.4412 ( 4448 PWs) bands (ev): -16.1144 -16.1141 -16.1126 -16.1125 -14.4706 -14.4704 -14.3440 -14.3425 -14.3138 -14.3137 -14.2988 -14.2987 -6.8708 -6.8707 -3.6632 -3.6622 -3.6558 -3.6515 -2.4377 -2.4377 -2.3875 -2.3850 -1.7093 -1.7012 -0.1700 -0.1675 -0.1614 -0.1614 0.2120 0.2124 0.9830 0.9845 0.9863 0.9865 1.2938 1.2956 1.3593 1.3597 1.3701 1.3724 1.7481 1.7481 1.7747 1.7749 1.7972 1.7987 2.2945 2.2948 8.0597 8.0610 8.0651 8.0663 10.9940 11.0195 11.0914 11.0926 11.3603 11.3874 k = 0.0079 0.0137 0.4412 ( 4452 PWs) bands (ev): -16.1150 -16.1148 -16.1145 -16.1145 -14.4703 -14.4702 -14.3430 -14.3422 -14.3118 -14.3118 -14.2972 -14.2972 -6.8751 -6.8751 -3.6580 -3.6567 -3.6541 -3.6527 -2.4397 -2.4397 -2.3894 -2.3881 -1.7079 -1.7038 -0.1672 -0.1659 -0.1604 -0.1604 0.2116 0.2118 0.9861 0.9867 0.9885 0.9885 1.2929 1.2939 1.3566 1.3566 1.3673 1.3687 1.7599 1.7603 1.7752 1.7755 1.7854 1.7863 2.2954 2.2956 8.0592 8.0597 8.0606 8.0613 11.0024 11.0153 11.0949 11.0950 11.3563 11.3704 k = 0.0000 0.0000 0.4412 ( 4464 PWs) bands (ev): -16.1151 -16.1151 -16.1151 -16.1151 -14.4702 -14.4702 -14.3424 -14.3424 -14.3113 -14.3113 -14.2966 -14.2966 -6.8765 -6.8765 -3.6554 -3.6554 -3.6535 -3.6535 -2.4404 -2.4404 -2.3895 -2.3895 -1.7061 -1.7061 -0.1660 -0.1660 -0.1599 -0.1599 0.2115 0.2115 0.9873 0.9873 0.9891 0.9891 1.2930 1.2930 1.3556 1.3556 1.3669 1.3669 1.7701 1.7701 1.7736 1.7736 1.7777 1.7777 2.2958 2.2958 8.0590 8.0590 8.0594 8.0594 11.0096 11.0096 11.0960 11.0960 11.3598 11.3598 k = 0.5000 0.2887 0.4412 ( 4460 PWs) bands (ev): -15.9817 -15.9817 -15.5178 -15.5178 -15.1173 -15.1173 -14.5271 -14.5271 -14.4609 -14.4609 -14.3423 -14.3423 -5.7954 -5.7954 -4.7611 -4.7611 -3.7053 -3.7053 -2.2228 -2.2228 -1.8618 -1.8618 -1.8420 -1.8420 -0.3733 -0.3733 -0.2532 -0.2532 0.4704 0.4704 0.7887 0.7887 0.8544 0.8544 1.2366 1.2366 1.3476 1.3476 1.5151 1.5151 1.7001 1.7001 1.7713 1.7713 1.9920 1.9920 2.3384 2.3384 8.2964 8.2964 9.2065 9.2065 10.5320 10.5320 11.1046 11.1046 11.4369 11.4369 k = 0.5000 0.2887 0.4254 ( 4474 PWs) bands (ev): -15.9821 -15.9819 -15.5181 -15.5180 -15.1174 -15.1165 -14.5271 -14.5268 -14.4618 -14.4601 -14.3427 -14.3418 -5.7966 -5.7955 -4.7618 -4.7614 -3.7057 -3.7029 -2.2264 -2.2210 -1.8639 -1.8581 -1.8428 -1.8414 -0.3736 -0.3719 -0.2534 -0.2530 0.4690 0.4708 0.7852 0.7867 0.8531 0.8549 1.2371 1.2382 1.3484 1.3496 1.5137 1.5147 1.7011 1.7026 1.7714 1.7719 1.9923 1.9928 2.3380 2.3383 8.2949 8.2963 9.2049 9.2071 10.5260 10.5313 11.1037 11.1040 11.4384 11.4394 k = 0.5000 0.2887 0.4097 ( 4476 PWs) bands (ev): -15.9831 -15.9826 -15.5187 -15.5186 -15.1165 -15.1148 -14.5267 -14.5261 -14.4627 -14.4594 -14.3429 -14.3412 -5.7992 -5.7969 -4.7637 -4.7628 -3.7040 -3.6984 -2.2316 -2.2211 -1.8655 -1.8561 -1.8423 -1.8383 -0.3727 -0.3695 -0.2535 -0.2527 0.4665 0.4702 0.7765 0.7794 0.8509 0.8544 1.2396 1.2416 1.3521 1.3545 1.5106 1.5127 1.7056 1.7086 1.7722 1.7733 1.9938 1.9949 2.3371 2.3376 8.2919 8.2947 9.2022 9.2066 10.5136 10.5240 11.1015 11.1022 11.4436 11.4462 k = 0.5000 0.2887 0.3939 ( 4466 PWs) bands (ev): -15.9846 -15.9839 -15.5196 -15.5196 -15.1148 -15.1122 -14.5259 -14.5251 -14.4635 -14.4587 -14.3431 -14.3405 -5.8029 -5.7995 -4.7665 -4.7653 -3.7002 -3.6919 -2.2379 -2.2228 -1.8694 -1.8597 -1.8378 -1.8290 -0.3708 -0.3661 -0.2535 -0.2523 0.4632 0.4686 0.7633 0.7675 0.8476 0.8529 1.2432 1.2461 1.3589 1.3624 1.5060 1.5090 1.7132 1.7177 1.7739 1.7756 1.9965 1.9981 2.3356 2.3365 8.2875 8.2916 9.1987 9.2050 10.4952 10.5102 11.0979 11.0989 11.4518 11.4574 k = 0.5000 0.2887 0.3781 ( 4474 PWs) bands (ev): -15.9866 -15.9857 -15.5210 -15.5209 -15.1124 -15.1089 -14.5248 -14.5238 -14.4644 -14.4581 -14.3431 -14.3397 -5.8079 -5.8034 -4.7705 -4.7689 -3.6944 -3.6834 -2.2452 -2.2261 -1.8772 -1.8677 -1.8283 -1.8149 -0.3679 -0.3617 -0.2533 -0.2518 0.4591 0.4662 0.7465 0.7518 0.8433 0.8502 1.2470 1.2507 1.3691 1.3733 1.5000 1.5041 1.7233 1.7295 1.7767 1.7793 2.0002 2.0021 2.3337 2.3349 8.2817 8.2871 9.1942 9.2026 10.4716 10.4905 11.0928 11.0941 11.4622 11.4728 k = 0.5000 0.2887 0.3624 ( 4470 PWs) bands (ev): -15.9892 -15.9880 -15.5227 -15.5226 -15.1091 -15.1049 -14.5234 -14.5221 -14.4652 -14.4575 -14.3430 -14.3389 -5.8139 -5.8085 -4.7753 -4.7734 -3.6866 -3.6732 -2.2529 -2.2307 -1.8886 -1.8787 -1.8145 -1.7975 -0.3641 -0.3565 -0.2529 -0.2510 0.4543 0.4631 0.7269 0.7332 0.8378 0.8463 1.2503 1.2546 1.3824 1.3871 1.4929 1.4980 1.7350 1.7430 1.7813 1.7850 2.0046 2.0070 2.3314 2.3330 8.2745 8.2812 9.1891 9.1994 10.4433 10.4655 11.0861 11.0877 11.4744 11.4920 k = 0.5000 0.2887 0.3466 ( 4476 PWs) bands (ev): -15.9921 -15.9908 -15.5247 -15.5246 -15.1052 -15.1003 -14.5217 -14.5203 -14.4659 -14.4569 -14.3428 -14.3380 -5.8210 -5.8147 -4.7811 -4.7789 -3.6769 -3.6611 -2.2608 -2.2360 -1.9028 -1.8922 -1.7975 -1.7778 -0.3596 -0.3507 -0.2523 -0.2497 0.4491 0.4594 0.7052 0.7124 0.8313 0.8413 1.2524 1.2572 1.3984 1.4034 1.4849 1.4911 1.7471 1.7569 1.7888 1.7937 2.0096 2.0123 2.3289 2.3308 8.2662 8.2740 9.1836 9.1955 10.4111 10.4360 11.0778 11.0796 11.4880 11.5146 k = 0.5000 0.2887 0.3309 ( 4476 PWs) bands (ev): -15.9954 -15.9940 -15.5270 -15.5269 -15.1007 -15.0950 -14.5198 -14.5182 -14.4663 -14.4562 -14.3426 -14.3372 -5.8290 -5.8219 -4.7877 -4.7851 -3.6653 -3.6474 -2.2686 -2.2419 -1.9197 -1.9081 -1.7779 -1.7563 -0.3545 -0.3445 -0.2512 -0.2478 0.4436 0.4554 0.6820 0.6901 0.8241 0.8354 1.2530 1.2582 1.4165 1.4214 1.4763 1.4836 1.7587 1.7694 1.8008 1.8063 2.0149 2.0179 2.3261 2.3285 8.2567 8.2656 9.1777 9.1911 10.3757 10.4026 11.0679 11.0697 11.5029 11.5401 k = 0.5000 0.2887 0.3151 ( 4460 PWs) bands (ev): -15.9991 -15.9975 -15.5295 -15.5294 -15.0956 -15.0893 -14.5177 -14.5161 -14.4666 -14.4554 -14.3423 -14.3364 -5.8378 -5.8300 -4.7950 -4.7922 -3.6521 -3.6321 -2.2761 -2.2480 -1.9388 -1.9262 -1.7562 -1.7333 -0.3492 -0.3382 -0.2496 -0.2448 0.4381 0.4512 0.6579 0.6667 0.8163 0.8287 1.2519 1.2575 1.4358 1.4405 1.4675 1.4758 1.7695 1.7800 1.8178 1.8229 2.0201 2.0235 2.3234 2.3263 8.2464 8.2563 9.1717 9.1865 10.3379 10.3661 11.0563 11.0581 11.5189 11.5680 k = 0.5000 0.2887 0.2994 ( 4484 PWs) bands (ev): -16.0031 -16.0014 -15.5322 -15.5321 -15.0900 -15.0832 -14.5155 -14.5138 -14.4665 -14.4545 -14.3420 -14.3356 -5.8472 -5.8389 -4.8029 -4.7999 -3.6373 -3.6155 -2.2831 -2.2541 -1.9600 -1.9464 -1.7329 -1.7091 -0.3440 -0.3320 -0.2472 -0.2407 0.4326 0.4469 0.6334 0.6428 0.8080 0.8214 1.2489 1.2550 1.4530 1.4590 1.4618 1.4679 1.7803 1.7901 1.8379 1.8424 2.0250 2.0288 2.3208 2.3242 8.2352 8.2460 9.1658 9.1818 10.2981 10.3272 11.0431 11.0448 11.5359 11.5974 k = 0.5000 0.2887 0.2836 ( 4484 PWs) bands (ev): -16.0073 -16.0055 -15.5351 -15.5350 -15.0841 -15.0768 -14.5132 -14.5116 -14.4660 -14.4534 -14.3418 -14.3350 -5.8571 -5.8484 -4.8113 -4.8082 -3.6209 -3.5976 -2.2895 -2.2601 -1.9831 -1.9684 -1.7085 -1.6843 -0.3393 -0.3264 -0.2437 -0.2351 0.4271 0.4425 0.6091 0.6190 0.7995 0.8137 1.2440 1.2505 1.4477 1.4592 1.4768 1.4800 1.7919 1.8011 1.8598 1.8638 2.0294 2.0336 2.3186 2.3224 8.2234 8.2350 9.1601 9.1771 10.2570 10.2866 11.0285 11.0299 11.5539 11.6274 k = 0.5000 0.2887 0.2679 ( 4484 PWs) bands (ev): -16.0116 -16.0098 -15.5381 -15.5380 -15.0778 -15.0702 -14.5108 -14.5095 -14.4652 -14.4522 -14.3416 -14.3345 -5.8675 -5.8585 -4.8201 -4.8169 -3.6033 -3.5786 -2.2952 -2.2657 -2.0078 -1.9920 -1.6832 -1.6589 -0.3353 -0.3217 -0.2388 -0.2280 0.4216 0.4380 0.5856 0.5959 0.7908 0.8055 1.2372 1.2441 1.4388 1.4512 1.4961 1.4988 1.8050 1.8135 1.8824 1.8860 2.0330 2.0378 2.3168 2.3211 8.2112 8.2234 9.1549 9.1726 10.2152 10.2449 11.0125 11.0137 11.5729 11.6564 k = 0.5000 0.2887 0.2521 ( 4484 PWs) bands (ev): -16.0161 -16.0142 -15.5412 -15.5410 -15.0714 -15.0635 -14.5085 -14.5075 -14.4639 -14.4507 -14.3415 -14.3341 -5.8781 -5.8689 -4.8292 -4.8259 -3.5845 -3.5587 -2.3002 -2.2710 -2.0339 -2.0171 -1.6575 -1.6334 -0.3323 -0.3182 -0.2322 -0.2192 0.4157 0.4329 0.5638 0.5741 0.7820 0.7972 1.2283 1.2355 1.4300 1.4431 1.5149 1.5171 1.8197 1.8277 1.9051 1.9083 2.0359 2.0413 2.3155 2.3204 8.1987 8.2114 9.1502 9.1684 10.1730 10.2025 10.9954 10.9963 11.5927 11.6827 k = 0.5000 0.2887 0.2363 ( 4484 PWs) bands (ev): -16.0206 -16.0187 -15.5444 -15.5442 -15.0648 -15.0568 -14.5062 -14.5056 -14.4621 -14.4491 -14.3414 -14.3339 -5.8887 -5.8795 -4.8385 -4.8351 -3.5646 -3.5380 -2.3046 -2.2759 -2.0611 -2.0432 -1.6316 -1.6079 -0.3303 -0.3160 -0.2238 -0.2091 0.4089 0.4264 0.5449 0.5548 0.7733 0.7887 1.2175 1.2248 1.4215 1.4352 1.5329 1.5346 1.8361 1.8435 1.9270 1.9298 2.0382 2.0444 2.3150 2.3203 8.1862 8.1992 9.1462 9.1647 10.1311 10.1601 10.9773 10.9780 11.6131 11.7064 k = 0.5000 0.2887 0.2206 ( 4484 PWs) bands (ev): -16.0251 -16.0232 -15.5475 -15.5473 -15.0583 -15.0501 -14.5041 -14.5038 -14.4600 -14.4472 -14.3415 -14.3339 -5.8994 -5.8902 -4.8478 -4.8445 -3.5439 -3.5167 -2.3083 -2.2804 -2.0890 -2.0703 -1.6058 -1.5827 -0.3292 -0.3150 -0.2138 -0.1976 0.4002 0.4175 0.5304 0.5391 0.7646 0.7802 1.2046 1.2120 1.4135 1.4273 1.5501 1.5514 1.8538 1.8606 1.9472 1.9496 2.0403 2.0474 2.3152 2.3209 8.1738 8.1870 9.1428 9.1614 10.0897 10.1180 10.9583 10.9592 11.6340 11.7284 k = 0.5000 0.2887 0.2048 ( 4484 PWs) bands (ev): -16.0295 -16.0277 -15.5506 -15.5504 -15.0517 -15.0436 -14.5023 -14.5018 -14.4576 -14.4451 -14.3416 -14.3340 -5.9099 -5.9009 -4.8570 -4.8538 -3.5226 -3.4951 -2.3113 -2.2845 -2.1174 -2.0978 -1.5804 -1.5581 -0.3289 -0.3151 -0.2024 -0.1852 0.3887 0.4051 0.5213 0.5282 0.7562 0.7717 1.1900 1.1972 1.4059 1.4197 1.5666 1.5678 1.8722 1.8786 1.9648 1.9667 2.0433 2.0513 2.3161 2.3222 8.1617 8.1749 9.1403 9.1587 10.0494 10.0766 10.9388 10.9400 11.6554 11.7494 k = 0.5000 0.2887 0.1891 ( 4488 PWs) bands (ev): -16.0338 -16.0321 -15.5536 -15.5534 -15.0453 -15.0373 -14.5007 -14.4998 -14.4549 -14.4429 -14.3419 -14.3343 -5.9202 -5.9114 -4.8661 -4.8629 -3.5008 -3.4734 -2.3138 -2.2882 -2.1459 -2.1255 -1.5556 -1.5343 -0.3293 -0.3162 -0.1900 -0.1721 0.3739 0.3893 0.5181 0.5228 0.7480 0.7634 1.1736 1.1805 1.3988 1.4122 1.5826 1.5838 1.8906 1.8966 1.9783 1.9798 2.0487 2.0573 2.3177 2.3239 8.1500 8.1631 9.1384 9.1565 10.0104 10.0364 10.9192 10.9207 11.6770 11.7698 k = 0.5000 0.2887 0.1733 ( 4480 PWs) bands (ev): -16.0380 -16.0363 -15.5565 -15.5563 -15.0392 -15.0314 -14.4992 -14.4979 -14.4519 -14.4406 -14.3423 -14.3348 -5.9300 -5.9216 -4.8748 -4.8718 -3.4789 -3.4518 -2.3160 -2.2919 -2.1741 -2.1529 -1.5317 -1.5115 -0.3301 -0.3179 -0.1767 -0.1585 0.3564 0.3708 0.5199 0.5227 0.7402 0.7552 1.1557 1.1621 1.3921 1.4050 1.5983 1.5995 1.9076 1.9132 1.9879 1.9889 2.0575 2.0661 2.3198 2.3261 8.1389 8.1517 9.1374 9.1549 9.9732 9.9978 10.8998 10.9015 11.6986 11.7895 k = 0.5000 0.2887 0.1576 ( 4484 PWs) bands (ev): -16.0419 -16.0403 -15.5593 -15.5591 -15.0332 -15.0258 -14.4978 -14.4961 -14.4489 -14.4383 -14.3427 -14.3354 -5.9393 -5.9314 -4.8832 -4.8803 -3.4569 -3.4305 -2.3179 -2.2956 -2.2013 -2.1797 -1.5089 -1.4900 -0.3314 -0.3201 -0.1629 -0.1446 0.3369 0.3506 0.5257 0.5273 0.7327 0.7474 1.1366 1.1424 1.3860 1.3980 1.6138 1.6151 1.9214 1.9265 1.9953 1.9962 2.0690 2.0772 2.3222 2.3285 8.1285 8.1408 9.1370 9.1537 9.9380 9.9611 10.8808 10.8828 11.7202 11.8083 k = 0.5000 0.2887 0.1418 ( 4478 PWs) bands (ev): -16.0456 -16.0441 -15.5619 -15.5617 -15.0277 -15.0206 -14.4964 -14.4945 -14.4459 -14.4360 -14.3432 -14.3362 -5.9480 -5.9407 -4.8910 -4.8884 -3.4353 -3.4099 -2.3199 -2.2997 -2.2270 -2.2050 -1.4874 -1.4699 -0.3328 -0.3226 -0.1488 -0.1306 0.3164 0.3296 0.5347 0.5356 0.7256 0.7398 1.1165 1.1216 1.3804 1.3915 1.6292 1.6306 1.9294 1.9339 2.0037 2.0054 2.0816 2.0892 2.3250 2.3311 8.1190 8.1306 9.1372 9.1530 9.9053 9.9266 10.8625 10.8647 11.7415 11.8261 k = 0.5000 0.2887 0.1260 ( 4480 PWs) bands (ev): -16.0490 -16.0476 -15.5643 -15.5641 -15.0225 -15.0160 -14.4950 -14.4930 -14.4429 -14.4339 -14.3437 -14.3371 -5.9560 -5.9493 -4.8983 -4.8959 -3.4143 -3.3903 -2.3226 -2.3051 -2.2500 -2.2282 -1.4674 -1.4515 -0.3344 -0.3253 -0.1345 -0.1168 0.2957 0.3085 0.5461 0.5469 0.7190 0.7327 1.0958 1.1001 1.3753 1.3853 1.6446 1.6460 1.9307 1.9346 2.0156 2.0181 2.0939 2.1010 2.3277 2.3336 8.1103 8.1212 9.1380 9.1525 9.8752 9.8946 10.8453 10.8475 11.7623 11.8424 k = 0.5000 0.2887 0.1103 ( 4476 PWs) bands (ev): -16.0520 -16.0508 -15.5664 -15.5663 -15.0177 -15.0118 -14.4937 -14.4916 -14.4400 -14.4318 -14.3443 -14.3381 -5.9632 -5.9572 -4.9049 -4.9027 -3.3942 -3.3720 -2.3267 -2.3130 -2.2686 -2.2480 -1.4491 -1.4349 -0.3361 -0.3281 -0.1204 -0.1033 0.2754 0.2878 0.5593 0.5602 0.7129 0.7259 1.0748 1.0784 1.3708 1.3796 1.6597 1.6612 1.9265 1.9300 2.0303 2.0335 2.1051 2.1117 2.3305 2.3360 8.1027 8.1126 9.1392 9.1524 9.8482 9.8655 10.8294 10.8316 11.7825 11.8571 k = 0.5000 0.2887 0.0945 ( 4472 PWs) bands (ev): -16.0547 -16.0536 -15.5684 -15.5682 -15.0134 -15.0082 -14.4924 -14.4904 -14.4372 -14.4300 -14.3447 -14.3392 -5.9696 -5.9643 -4.9107 -4.9088 -3.3754 -3.3553 -2.3331 -2.3246 -2.2812 -2.2634 -1.4327 -1.4203 -0.3376 -0.3308 -0.1066 -0.0905 0.2562 0.2679 0.5738 0.5748 0.7074 0.7197 1.0541 1.0570 1.3669 1.3745 1.6746 1.6760 1.9190 1.9223 2.0463 2.0497 2.1144 2.1206 2.3331 2.3381 8.0962 8.1050 9.1407 9.1523 9.8244 9.8394 10.8150 10.8172 11.8017 11.8696 k = 0.5000 0.2887 0.0788 ( 4480 PWs) bands (ev): -16.0570 -16.0561 -15.5700 -15.5699 -15.0097 -15.0052 -14.4912 -14.4893 -14.4347 -14.4285 -14.3451 -14.3403 -5.9750 -5.9705 -4.9158 -4.9142 -3.3582 -3.3407 -2.3424 -2.3384 -2.2882 -2.2740 -1.4183 -1.4078 -0.3390 -0.3333 -0.0933 -0.0786 0.2385 0.2494 0.5888 0.5901 0.7024 0.7138 1.0342 1.0365 1.3636 1.3700 1.6889 1.6903 1.9098 1.9127 2.0622 2.0658 2.1217 2.1275 2.3355 2.3399 8.0907 8.0983 9.1424 9.1523 9.8040 9.8168 10.8025 10.8044 11.8198 11.8795 k = 0.5000 0.2887 0.0630 ( 4472 PWs) bands (ev): -16.0589 -16.0582 -15.5714 -15.5713 -15.0065 -15.0028 -14.4901 -14.4885 -14.4324 -14.4273 -14.3454 -14.3413 -5.9794 -5.9757 -4.9199 -4.9186 -3.3430 -3.3285 -2.3536 -2.3515 -2.2917 -2.2808 -1.4062 -1.3976 -0.3401 -0.3356 -0.0809 -0.0682 0.2229 0.2326 0.6035 0.6053 0.6980 0.7084 1.0160 1.0177 1.3610 1.3661 1.7023 1.7037 1.9000 1.9026 2.0772 2.0809 2.1266 2.1320 2.3376 2.3413 8.0864 8.0926 9.1442 9.1523 9.7873 9.7977 10.7920 10.7936 11.8365 11.8867 k = 0.5000 0.2887 0.0473 ( 4478 PWs) bands (ev): -16.0604 -16.0598 -15.5725 -15.5724 -15.0038 -15.0011 -14.4892 -14.4879 -14.4304 -14.4265 -14.3455 -14.3424 -5.9827 -5.9800 -4.9232 -4.9222 -3.3303 -3.3190 -2.3647 -2.3625 -2.2931 -2.2851 -1.3963 -1.3899 -0.3410 -0.3376 -0.0699 -0.0596 0.2102 0.2182 0.6171 0.6194 0.6943 0.7033 1.0002 1.0015 1.3591 1.3629 1.7143 1.7155 1.8907 1.8928 2.0908 2.0946 2.1291 2.1341 2.3395 2.3422 8.0833 8.0880 9.1459 9.1521 9.7745 9.7823 10.7837 10.7850 11.8516 11.8907 k = 0.5000 0.2887 0.0315 ( 4482 PWs) bands (ev): -16.0614 -16.0610 -15.5733 -15.5732 -15.0018 -14.9999 -14.4884 -14.4875 -14.4288 -14.4261 -14.3455 -14.3433 -5.9850 -5.9832 -4.9255 -4.9248 -3.3203 -3.3126 -2.3732 -2.3713 -2.2933 -2.2880 -1.3889 -1.3846 -0.3415 -0.3392 -0.0608 -0.0534 0.2009 0.2067 0.6286 0.6310 0.6915 0.6986 0.9880 0.9888 1.3579 1.3605 1.7241 1.7250 1.8828 1.8845 2.1025 2.1064 2.1292 2.1338 2.3409 2.3428 8.0812 8.0844 9.1475 9.1517 9.7656 9.7708 10.7777 10.7786 11.8646 11.8915 k = 0.5000 0.2887 0.0158 ( 4476 PWs) bands (ev): -16.0620 -16.0618 -15.5737 -15.5737 -15.0004 -14.9994 -14.4879 -14.4874 -14.4275 -14.4262 -14.3452 -14.3441 -5.9862 -5.9853 -4.9268 -4.9265 -3.3134 -3.3095 -2.3783 -2.3772 -2.2928 -2.2902 -1.3840 -1.3818 -0.3415 -0.3404 -0.0542 -0.0503 0.1957 0.1988 0.6369 0.6385 0.6902 0.6943 0.9802 0.9806 1.3574 1.3587 1.7307 1.7312 1.8777 1.8785 2.1121 2.1156 2.1273 2.1312 2.3420 2.3430 8.0803 8.0819 9.1490 9.1511 9.7607 9.7634 10.7742 10.7746 11.8755 11.8891 k = 0.5000 0.2887-0.0000 ( 4468 PWs) bands (ev): -16.0621 -16.0621 -15.5739 -15.5739 -14.9996 -14.9996 -14.4875 -14.4875 -14.4266 -14.4266 -14.3447 -14.3447 -5.9863 -5.9863 -4.9271 -4.9271 -3.3098 -3.3098 -2.3796 -2.3796 -2.2917 -2.2917 -1.3816 -1.3816 -0.3412 -0.3412 -0.0506 -0.0506 0.1950 0.1950 0.6406 0.6406 0.6912 0.6912 0.9777 0.9777 1.3577 1.3577 1.7332 1.7332 1.8761 1.8761 2.1182 2.1182 2.1272 2.1272 2.3427 2.3427 8.0806 8.0806 9.1502 9.1502 9.7600 9.7600 10.7731 10.7731 11.8837 11.8837 k = 0.3333 0.5774-0.0000 ( 4452 PWs) bands (ev): -15.8103 -15.8049 -15.8043 -15.8043 -15.0374 -15.0374 -14.4842 -14.4842 -14.3998 -14.3998 -14.3895 -14.3867 -6.0261 -6.0261 -4.2520 -4.2282 -4.2234 -4.2234 -2.2251 -2.1958 -2.1958 -2.1713 -1.2506 -1.2506 -0.0537 -0.0536 -0.0536 -0.0441 -0.0240 -0.0240 0.5423 0.5513 0.5563 0.5563 1.0834 1.0834 1.1270 1.1270 1.8316 1.8354 1.8354 1.8385 2.1525 2.1560 2.1560 2.1687 2.3740 2.3740 8.6354 8.6596 8.6596 8.6698 9.7834 9.7834 11.3610 11.3610 11.3674 11.3991 k = 0.3333 0.5774 0.0158 ( 4458 PWs) bands (ev): -15.8187 -15.8151 -15.7959 -15.7931 -15.0381 -15.0373 -14.4846 -14.4840 -14.4020 -14.3980 -14.3908 -14.3859 -6.0251 -6.0245 -4.2663 -4.2477 -4.2146 -4.2000 -2.2273 -2.2058 -2.1849 -2.1684 -1.2535 -1.2514 -0.0692 -0.0653 -0.0403 -0.0343 -0.0226 -0.0220 0.5438 0.5531 0.5562 0.5597 1.0674 1.0733 1.1381 1.1431 1.8158 1.8164 1.8540 1.8541 2.1426 2.1448 2.1673 2.1741 2.3729 2.3731 8.6099 8.6203 8.6974 8.7010 9.7819 9.7850 11.3394 11.3557 11.3830 11.4113 k = 0.3333 0.5774 0.0315 ( 4461 PWs) bands (ev): -15.8288 -15.8253 -15.7841 -15.7812 -15.0394 -15.0378 -14.4853 -14.4841 -14.4044 -14.3965 -14.3931 -14.3846 -6.0216 -6.0203 -4.2890 -4.2728 -4.1940 -4.1773 -2.2327 -2.2149 -2.1731 -2.1606 -1.2603 -1.2559 -0.0867 -0.0820 -0.0299 -0.0228 -0.0185 -0.0166 0.5484 0.5586 0.5595 0.5663 1.0435 1.0507 1.1630 1.1686 1.7966 1.7971 1.8720 1.8723 2.1271 2.1306 2.1763 2.1818 2.3699 2.3703 8.5747 8.5832 8.7389 8.7443 9.7804 9.7866 11.3184 11.3359 11.4051 11.4323 k = 0.3333 0.5774 0.0473 ( 4464 PWs) bands (ev): -15.8384 -15.8349 -15.7716 -15.7688 -15.0413 -15.0389 -14.4863 -14.4845 -14.4071 -14.3958 -14.3954 -14.3836 -6.0156 -6.0137 -4.3133 -4.2987 -4.1731 -4.1554 -2.2394 -2.2228 -2.1606 -2.1499 -1.2706 -1.2641 -0.1057 -0.1004 -0.0214 -0.0130 -0.0118 -0.0087 0.5560 0.5663 0.5673 0.5757 1.0186 1.0264 1.1907 1.1961 1.7772 1.7776 1.8896 1.8900 2.1097 2.1138 2.1829 2.1880 2.3651 2.3657 8.5408 8.5484 8.7833 8.7892 9.7789 9.7882 11.2983 11.3157 11.4271 11.4546 k = 0.3333 0.5774 0.0630 ( 4452 PWs) bands (ev): -15.8475 -15.8440 -15.7585 -15.7558 -15.0438 -15.0407 -14.4874 -14.4851 -14.4101 -14.3989 -14.3946 -14.3830 -6.0070 -6.0045 -4.3387 -4.3255 -4.1526 -4.1342 -2.2462 -2.2296 -2.1474 -2.1375 -1.2843 -1.2758 -0.1256 -0.1198 -0.0131 -0.0050 -0.0028 -0.0004 0.5667 0.5764 0.5789 0.5877 0.9943 1.0025 1.2194 1.2245 1.7576 1.7579 1.9065 1.9071 2.0906 2.0950 2.1873 2.1919 2.3585 2.3593 8.5090 8.5161 8.8296 8.8358 9.7776 9.7898 11.2792 11.2960 11.4487 11.4770 k = 0.3333 0.5774 0.0788 ( 4464 PWs) bands (ev): -15.8561 -15.8526 -15.7449 -15.7423 -15.0469 -15.0431 -14.4888 -14.4859 -14.4133 -14.4022 -14.3942 -14.3827 -5.9960 -5.9929 -4.3650 -4.3531 -4.1327 -4.1137 -2.2525 -2.2353 -2.1338 -2.1241 -1.3013 -1.2908 -0.1463 -0.1399 -0.0046 0.0013 0.0082 0.0083 0.5803 0.5896 0.5930 0.6019 0.9708 0.9794 1.2485 1.2532 1.7379 1.7382 1.9226 1.9232 2.0700 2.0746 2.1892 2.1936 2.3501 2.3511 8.4795 8.4861 8.8775 8.8836 9.7765 9.7914 11.2614 11.2775 11.4693 11.4991 k = 0.3333 0.5774 0.0945 ( 4464 PWs) bands (ev): -15.8642 -15.8607 -15.7307 -15.7283 -15.0507 -15.0462 -14.4902 -14.4869 -14.4167 -14.4058 -14.3941 -14.3829 -5.9825 -5.9788 -4.3922 -4.3817 -4.1133 -4.0940 -2.2581 -2.2397 -2.1196 -2.1099 -1.3213 -1.3089 -0.1673 -0.1603 0.0028 0.0062 0.0182 0.0211 0.5965 0.6058 0.6094 0.6180 0.9484 0.9573 1.2777 1.2819 1.7182 1.7185 1.9375 1.9381 2.0484 2.0532 2.1887 2.1930 2.3401 2.3413 8.4525 8.4587 8.9265 8.9326 9.7755 9.7931 11.2450 11.2603 11.4886 11.5206 k = 0.3333 0.5774 0.1103 ( 4479 PWs) bands (ev): -15.8717 -15.8682 -15.7159 -15.7137 -15.0552 -15.0500 -14.4918 -14.4880 -14.4202 -14.4096 -14.3945 -14.3834 -5.9667 -5.9623 -4.4203 -4.4113 -4.0945 -4.0750 -2.2626 -2.2428 -2.1052 -2.0954 -1.3439 -1.3297 -0.1883 -0.1809 0.0081 0.0100 0.0304 0.0353 0.6148 0.6244 0.6279 0.6358 0.9273 0.9365 1.3067 1.3105 1.6985 1.6989 1.9503 1.9507 2.0271 2.0317 2.1859 2.1900 2.3285 2.3299 8.4280 8.4338 8.9766 8.9824 9.7748 9.7949 11.2303 11.2447 11.5057 11.5411 k = 0.3333 0.5774 0.1260 ( 4476 PWs) bands (ev): -15.8787 -15.8753 -15.7006 -15.6985 -15.0604 -15.0546 -14.4934 -14.4892 -14.4239 -14.4135 -14.3952 -14.3844 -5.9485 -5.9435 -4.4494 -4.4417 -4.0762 -4.0567 -2.2659 -2.2446 -2.0906 -2.0807 -1.3689 -1.3530 -0.2091 -0.2012 0.0120 0.0130 0.0444 0.0505 0.6347 0.6451 0.6482 0.6550 0.9077 0.9171 1.3354 1.3389 1.6790 1.6794 1.9573 1.9578 2.0097 2.0133 2.1808 2.1848 2.3155 2.3171 8.4060 8.4115 9.0273 9.0328 9.7743 9.7967 11.2173 11.2307 11.5194 11.5575 k = 0.3333 0.5774 0.1418 ( 4464 PWs) bands (ev): -15.8852 -15.8818 -15.6848 -15.6829 -15.0662 -15.0600 -14.4949 -14.4904 -14.4277 -14.4176 -14.3962 -14.3858 -5.9280 -5.9225 -4.4794 -4.4732 -4.0585 -4.0392 -2.2680 -2.2450 -2.0759 -2.0659 -1.3960 -1.3785 -0.2295 -0.2211 0.0150 0.0155 0.0595 0.0664 0.6559 0.6676 0.6702 0.6753 0.8897 0.8994 1.3637 1.3667 1.6598 1.6603 1.9494 1.9523 2.0048 2.0061 2.1735 2.1774 2.3012 2.3031 8.3865 8.3916 9.0786 9.0835 9.7742 9.7987 11.2063 11.2187 11.5288 11.5676 k = 0.3333 0.5774 0.1576 ( 4455 PWs) bands (ev): -15.8912 -15.8879 -15.6684 -15.6668 -15.0729 -15.0661 -14.4964 -14.4916 -14.4316 -14.4218 -14.3977 -14.3875 -5.9053 -5.8992 -4.5104 -4.5056 -4.0414 -4.0223 -2.2687 -2.2440 -2.0614 -2.0513 -1.4249 -1.4059 -0.2491 -0.2403 0.0175 0.0178 0.0752 0.0827 0.6779 0.6915 0.6935 0.6964 0.8736 0.8834 1.3912 1.3938 1.6409 1.6415 1.9285 1.9328 2.0112 2.0113 2.1641 2.1679 2.2858 2.2879 8.3693 8.3741 9.1300 9.1343 9.7743 9.8008 11.1972 11.2086 11.5345 11.5696 k = 0.3333 0.5774 0.1733 ( 4449 PWs) bands (ev): -15.8968 -15.8936 -15.6516 -15.6502 -15.0803 -15.0732 -14.4977 -14.4928 -14.4355 -14.4261 -14.3995 -14.3897 -5.8805 -5.8738 -4.5424 -4.5390 -4.0250 -4.0063 -2.2680 -2.2416 -2.0470 -2.0369 -1.4554 -1.4350 -0.2678 -0.2587 0.0199 0.0201 0.0910 0.0988 0.7004 0.7163 0.7180 0.7181 0.8594 0.8694 1.4178 1.4201 1.6225 1.6232 1.9024 1.9073 2.0206 2.0213 2.1526 2.1564 2.2696 2.2718 8.3545 8.3589 9.1813 9.1848 9.7749 9.8030 11.1903 11.2005 11.5378 11.5720 k = 0.3333 0.5774 0.1891 ( 4455 PWs) bands (ev): -15.9019 -15.8988 -15.6343 -15.6331 -15.0885 -15.0811 -14.4988 -14.4937 -14.4393 -14.4304 -14.4016 -14.3922 -5.8536 -5.8465 -4.5755 -4.5734 -4.0092 -3.9909 -2.2659 -2.2378 -2.0329 -2.0228 -1.4871 -1.4653 -0.2854 -0.2761 0.0224 0.0226 0.1064 0.1145 0.7232 0.7402 0.7417 0.7433 0.8475 0.8575 1.4433 1.4452 1.6047 1.6054 1.8744 1.8795 2.0307 2.0317 2.1394 2.1431 2.2526 2.2551 8.3419 8.3460 9.2322 9.2348 9.7758 9.8053 11.1855 11.1947 11.5395 11.5736 k = 0.3333 0.5774 0.2048 ( 4461 PWs) bands (ev): -15.9066 -15.9036 -15.6165 -15.6156 -15.0976 -15.0899 -14.4996 -14.4945 -14.4432 -14.4347 -14.4041 -14.3951 -5.8248 -5.8172 -4.6096 -4.6088 -3.9940 -3.9764 -2.2622 -2.2325 -2.0194 -2.0093 -1.5199 -1.4968 -0.3018 -0.2923 0.0252 0.0255 0.1212 0.1293 0.7461 0.7624 0.7673 0.7689 0.8379 0.8480 1.4674 1.4689 1.5875 1.5884 1.8454 1.8506 2.0407 2.0419 2.1245 2.1282 2.2353 2.2379 8.3313 8.3351 9.2824 9.2840 9.7770 9.8077 11.1831 11.1910 11.5399 11.5742 k = 0.3333 0.5774 0.2206 ( 4461 PWs) bands (ev): -15.9108 -15.9080 -15.5983 -15.5977 -15.1075 -15.0996 -14.5001 -14.4951 -14.4470 -14.4389 -14.4069 -14.3984 -5.7942 -5.7860 -4.6452 -4.6447 -3.9795 -3.9626 -2.2570 -2.2257 -2.0064 -1.9964 -1.5534 -1.5292 -0.3169 -0.3073 0.0286 0.0289 0.1348 0.1429 0.7689 0.7846 0.7926 0.7946 0.8309 0.8413 1.4899 1.4911 1.5711 1.5722 1.8161 1.8213 2.0500 2.0513 2.1081 2.1119 2.2178 2.2206 8.3227 8.3261 9.3316 9.3320 9.7785 9.8102 11.1829 11.1896 11.5389 11.5736 k = 0.3333 0.5774 0.2363 ( 4464 PWs) bands (ev): -15.9147 -15.9120 -15.5797 -15.5795 -15.1182 -15.1102 -14.5002 -14.4954 -14.4506 -14.4431 -14.4100 -14.4019 -5.7618 -5.7531 -4.6825 -4.6808 -3.9658 -3.9496 -2.2503 -2.2174 -1.9941 -1.9842 -1.5875 -1.5622 -0.3307 -0.3210 0.0325 0.0329 0.1471 0.1550 0.7914 0.8063 0.8163 0.8201 0.8267 0.8385 1.5106 1.5113 1.5557 1.5571 1.7867 1.7920 2.0585 2.0600 2.0906 2.0945 2.2005 2.2034 8.3158 8.3189 9.3786 9.3796 9.7803 9.8126 11.1850 11.1904 11.5366 11.5716 k = 0.3333 0.5774 0.2521 ( 4455 PWs) bands (ev): -15.9182 -15.9156 -15.5608 -15.5608 -15.1298 -15.1218 -14.4999 -14.4954 -14.4541 -14.4471 -14.4133 -14.4058 -5.7277 -5.7186 -4.7207 -4.7179 -3.9528 -3.9375 -2.2419 -2.2076 -1.9826 -1.9727 -1.6219 -1.5957 -0.3430 -0.3333 0.0371 0.0377 0.1577 0.1652 0.8134 0.8242 0.8287 0.8295 0.8449 0.8483 1.5286 1.5291 1.5414 1.5439 1.7577 1.7630 2.0653 2.0678 2.0721 2.0769 2.1836 2.1866 8.3105 8.3134 9.4234 9.4260 9.7824 9.8151 11.1894 11.1936 11.5329 11.5680 k = 0.3333 0.5774 0.2679 ( 4473 PWs) bands (ev): -15.9213 -15.9189 -15.5419 -15.5415 -15.1422 -15.1343 -14.4993 -14.4950 -14.4575 -14.4510 -14.4169 -14.4099 -5.6921 -5.6826 -4.7599 -4.7560 -3.9406 -3.9263 -2.2319 -2.1964 -1.9720 -1.9621 -1.6564 -1.6294 -0.3538 -0.3444 0.0423 0.0431 0.1663 0.1734 0.8263 0.8327 0.8346 0.8485 0.8687 0.8699 1.5282 1.5282 1.5453 1.5474 1.7294 1.7346 2.0529 2.0557 2.0741 2.0746 2.1676 2.1707 8.3066 8.3091 9.4663 9.4705 9.7845 9.8173 11.1961 11.1989 11.5276 11.5629 k = 0.3333 0.5774 0.2836 ( 4473 PWs) bands (ev): -15.9241 -15.9218 -15.5227 -15.5220 -15.1555 -15.1476 -14.4982 -14.4943 -14.4606 -14.4547 -14.4207 -14.4143 -5.6551 -5.6452 -4.7999 -4.7950 -3.9292 -3.9160 -2.2204 -2.1836 -1.9623 -1.9523 -1.6909 -1.6633 -0.3632 -0.3541 0.0483 0.0493 0.1728 0.1794 0.8306 0.8369 0.8550 0.8680 0.8912 0.8918 1.5164 1.5171 1.5589 1.5603 1.7022 1.7074 2.0334 2.0366 2.0795 2.0805 2.1527 2.1558 8.3039 8.3062 9.5068 9.5129 9.7866 9.8193 11.2051 11.2065 11.5208 11.5560 k = 0.3333 0.5774 0.2994 ( 4467 PWs) bands (ev): -15.9265 -15.9245 -15.5032 -15.5021 -15.1695 -15.1618 -14.4966 -14.4933 -14.4634 -14.4582 -14.4246 -14.4189 -5.6167 -5.6066 -4.8407 -4.8349 -3.9187 -3.9066 -2.2072 -2.1693 -1.9538 -1.9435 -1.7251 -1.6970 -0.3713 -0.3625 0.0550 0.0562 0.1772 0.1832 0.8376 0.8434 0.8742 0.8863 0.9119 0.9123 1.5059 1.5069 1.5697 1.5710 1.6766 1.6816 2.0138 2.0171 2.0844 2.0854 2.1393 2.1423 8.3022 8.3042 9.5448 9.5530 9.7885 9.8209 11.2161 11.2162 11.5123 11.5473 k = 0.3333 0.5774 0.3151 ( 4467 PWs) bands (ev): -15.9286 -15.9268 -15.4836 -15.4821 -15.1843 -15.1769 -14.4947 -14.4919 -14.4660 -14.4615 -14.4287 -14.4237 -5.5772 -5.5668 -4.8823 -4.8756 -3.9091 -3.8981 -2.1924 -2.1535 -1.9465 -1.9356 -1.7588 -1.7306 -0.3780 -0.3698 0.0624 0.0638 0.1795 0.1848 0.8470 0.8522 0.8920 0.9031 0.9304 0.9308 1.4970 1.4981 1.5776 1.5791 1.6529 1.6578 1.9947 1.9979 2.0883 2.0893 2.1276 2.1304 8.3013 8.3030 9.5801 9.5904 9.7902 9.8220 11.2279 11.2291 11.5021 11.5368 k = 0.3333 0.5774 0.3309 ( 4470 PWs) bands (ev): -15.9304 -15.9288 -15.4638 -15.4619 -15.1998 -15.1927 -14.4923 -14.4901 -14.4683 -14.4645 -14.4328 -14.4286 -5.5367 -5.5259 -4.9246 -4.9171 -3.9004 -3.8907 -2.1761 -2.1363 -1.9406 -1.9286 -1.7916 -1.7638 -0.3835 -0.3760 0.0703 0.0720 0.1796 0.1842 0.8586 0.8631 0.9082 0.9183 0.9463 0.9466 1.4896 1.4908 1.5826 1.5844 1.6317 1.6363 1.9763 1.9794 2.0914 2.0924 2.1178 2.1204 8.3010 8.3025 9.6124 9.6251 9.7913 9.8222 11.2415 11.2439 11.4902 11.5246 k = 0.3333 0.5774 0.3466 ( 4467 PWs) bands (ev): -15.9320 -15.9306 -15.4438 -15.4416 -15.2160 -15.2092 -14.4896 -14.4880 -14.4702 -14.4672 -14.4370 -14.4336 -5.4952 -5.4842 -4.9674 -4.9593 -3.8927 -3.8843 -2.1582 -2.1177 -1.9364 -1.9226 -1.8231 -1.7965 -0.3878 -0.3812 0.0787 0.0807 0.1779 0.1817 0.8718 0.8757 0.9227 0.9317 0.9590 0.9594 1.4836 1.4849 1.5848 1.5872 1.6134 1.6177 1.9591 1.9619 2.0937 2.0945 2.1100 2.1123 8.3011 8.3024 9.6417 9.6568 9.7919 9.8215 11.2567 11.2603 11.4768 11.5108 k = 0.3333 0.5774 0.3624 ( 4467 PWs) bands (ev): -15.9332 -15.9320 -15.4239 -15.4212 -15.2329 -15.2264 -14.4865 -14.4857 -14.4717 -14.4696 -14.4412 -14.4387 -5.4529 -5.4417 -5.0108 -5.0022 -3.8860 -3.8789 -2.1388 -2.0976 -1.9351 -1.9174 -1.8521 -1.8287 -0.3912 -0.3854 0.0875 0.0899 0.1745 0.1775 0.8864 0.8896 0.9353 0.9431 0.9683 0.9688 1.4791 1.4804 1.5841 1.5876 1.5988 1.6022 1.9435 1.9461 2.0952 2.0958 2.1041 2.1060 8.3016 8.3027 9.6677 9.6856 9.7915 9.8197 11.2734 11.2779 11.4618 11.4955 k = 0.3333 0.5774 0.3781 ( 4473 PWs) bands (ev): -15.9342 -15.9333 -15.4039 -15.4008 -15.2502 -15.2442 -14.4833 -14.4832 -14.4726 -14.4717 -14.4452 -14.4439 -5.4099 -5.3986 -5.0546 -5.0455 -3.8803 -3.8746 -2.1180 -2.0761 -1.9388 -1.9132 -1.8762 -1.8601 -0.3936 -0.3889 0.0966 0.0995 0.1697 0.1719 0.9016 0.9041 0.9458 0.9524 0.9738 0.9745 1.4759 1.4770 1.5802 1.5861 1.5890 1.5901 1.9300 1.9322 2.0960 2.0964 2.1000 2.1015 8.3022 8.3030 9.6905 9.7113 9.7902 9.8164 11.2914 11.2963 11.4454 11.4792 k = 0.3333 0.5774 0.3939 ( 4476 PWs) bands (ev): -15.9350 -15.9342 -15.3841 -15.3804 -15.2681 -15.2625 -14.4806 -14.4804 -14.4734 -14.4726 -14.4490 -14.4490 -5.3664 -5.3549 -5.0987 -5.0893 -3.8757 -3.8715 -2.0958 -2.0533 -1.9512 -1.9097 -1.8917 -1.8907 -0.3952 -0.3916 0.1057 0.1093 0.1638 0.1649 0.9169 0.9187 0.9542 0.9596 0.9755 0.9764 1.4737 1.4747 1.5744 1.5816 1.5834 1.5834 1.9191 1.9208 2.0961 2.0963 2.0978 2.0985 8.3028 8.3034 9.7097 9.7339 9.7879 9.8114 11.3103 11.3149 11.4279 11.4623 k = 0.3333 0.5774 0.4097 ( 4476 PWs) bands (ev): -15.9354 -15.9349 -15.3644 -15.3602 -15.2864 -15.2814 -14.4783 -14.4782 -14.4748 -14.4710 -14.4540 -14.4523 -5.3226 -5.3109 -5.1429 -5.1334 -3.8722 -3.8694 -2.0723 -2.0293 -1.9720 -1.9203 -1.9070 -1.8986 -0.3961 -0.3937 0.1144 0.1193 0.1570 0.1573 0.9316 0.9326 0.9600 0.9645 0.9736 0.9747 1.4724 1.4731 1.5701 1.5765 1.5791 1.5801 1.9110 1.9122 2.0953 2.0962 2.0968 2.0969 8.3034 8.3038 9.7250 9.7535 9.7848 9.8045 11.3299 11.3326 11.4093 11.4460 k = 0.3333 0.5774 0.4254 ( 4470 PWs) bands (ev): -15.9357 -15.9354 -15.3451 -15.3401 -15.3048 -15.3006 -14.4774 -14.4763 -14.4759 -14.4677 -14.4589 -14.4547 -5.2791 -5.2666 -5.1867 -5.1777 -3.8698 -3.8684 -2.0478 -2.0042 -1.9968 -1.9488 -1.9049 -1.9015 -0.3964 -0.3951 0.1218 0.1292 0.1482 0.1511 0.9445 0.9451 0.9621 0.9674 0.9696 0.9702 1.4718 1.4722 1.5680 1.5744 1.5758 1.5769 1.9062 1.9068 2.0950 2.0960 2.0960 2.0963 8.3038 8.3040 9.7356 9.7702 9.7816 9.7955 11.3469 11.3499 11.3899 11.4325 k = 0.3333 0.5774 0.4412 ( 4476 PWs) bands (ev): -15.9357 -15.9357 -15.3305 -15.3202 -15.3202 -15.3192 -14.4767 -14.4767 -14.4756 -14.4635 -14.4635 -14.4556 -5.2449 -5.2222 -5.2222 -5.2210 -3.8686 -3.8686 -2.0224 -2.0224 -1.9825 -1.9716 -1.9032 -1.9032 -0.3960 -0.3960 0.1253 0.1389 0.1389 0.1481 0.9507 0.9561 0.9561 0.9666 0.9683 0.9683 1.4718 1.4718 1.5675 1.5744 1.5747 1.5747 1.9048 1.9048 2.0950 2.0958 2.0958 2.0960 8.3040 8.3040 9.7396 9.7801 9.7842 9.7842 11.3529 11.3700 11.3700 11.4267 Writing output data file GeO2.save init_run : 0.58s CPU 1.11s WALL ( 1 calls) electrons : 583.37s CPU 588.69s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.28s WALL ( 1 calls) potinit : 0.04s CPU 0.10s WALL ( 1 calls) Called by electrons: c_bands : 583.36s CPU 588.67s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.04s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.03s WALL ( 1 calls) newd : 0.05s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.04s WALL ( 293 calls) cegterg : 562.79s CPU 567.61s WALL ( 1046 calls) Called by sum_band: Called by *egterg: h_psi : 301.09s CPU 311.63s WALL ( 19841 calls) s_psi : 12.29s CPU 12.93s WALL ( 19841 calls) g_psi : 0.58s CPU 0.69s WALL ( 18502 calls) cdiaghg : 200.51s CPU 193.33s WALL ( 18795 calls) cegterg:over : 22.84s CPU 22.03s WALL ( 18502 calls) cegterg:upda : 9.40s CPU 14.98s WALL ( 18502 calls) cegterg:last : 8.12s CPU 9.07s WALL ( 2218 calls) Called by h_psi: h_psi:vloc : 283.37s CPU 286.50s WALL ( 19841 calls) h_psi:vnl : 17.43s CPU 24.46s WALL ( 19841 calls) add_vuspsi : 7.01s CPU 10.17s WALL ( 19841 calls) General routines calbec : 10.34s CPU 14.13s WALL ( 19841 calls) fft : 0.04s CPU 0.09s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 281.97s CPU 273.99s WALL ( 1573688 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.04s CPU 0.21s WALL ( 586 calls) Parallel routines fft_scatter : 269.10s CPU 175.80s WALL ( 1573711 calls) PWSCF : 10m 7.64s CPU 10m33.95s WALL This run was terminated on: 0:55:52 28Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=