Program PWSCF v.5.1.1 starts on 12Oct2015 at 19:25:28 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./InPS4.save/ file In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized 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 45 34 10 1070 696 108 Max 46 35 11 1074 718 110 Sum 2201 1669 483 51451 33879 5239 bravais-lattice index = 14 lattice parameter (alat) = 11.3415 a.u. unit-cell volume = 954.4410 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 217.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.341521 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.564687 celldm(5)= -0.564687 celldm(6)= 0.129375 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.129375 0.991596 0.000000 ) a(3) = ( -0.564687 -0.495798 0.659782 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.130472 0.757826 ) b(2) = ( 0.000000 1.008475 0.757826 ) b(3) = ( 0.000000 0.000000 1.515652 ) PseudoPot. # 1 for S read from file: /home/autes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 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 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for In read from file: /home/autes/Pseudo/In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 52ff8a85f9af3f41268f91f861ab85bf Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1241 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for P read from file: /home/autes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) In 13.00 114.81800 In( 1.00) P 5.00 30.97380 P( 1.00) No symmetry found 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 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 294 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014 k( 2) = ( 0.0000000 0.0000000 0.0189456), wk = 0.0034014 k( 3) = ( 0.0000000 0.0000000 0.0378913), wk = 0.0034014 k( 4) = ( 0.0000000 0.0000000 0.0568369), wk = 0.0034014 k( 5) = ( 0.0000000 0.0000000 0.0757826), wk = 0.0034014 k( 6) = ( 0.0000000 0.0000000 0.0947282), wk = 0.0034014 k( 7) = ( 0.0000000 0.0000000 0.1136739), wk = 0.0034014 k( 8) = ( 0.0000000 0.0000000 0.1326195), wk = 0.0034014 k( 9) = ( 0.0000000 0.0000000 0.1515652), wk = 0.0034014 k( 10) = ( 0.0000000 0.0000000 0.1705108), wk = 0.0034014 k( 11) = ( 0.0000000 0.0000000 0.1894565), wk = 0.0034014 k( 12) = ( 0.0000000 0.0000000 0.2084021), wk = 0.0034014 k( 13) = ( 0.0000000 0.0000000 0.2273478), wk = 0.0034014 k( 14) = ( 0.0000000 0.0000000 0.2462934), wk = 0.0034014 k( 15) = ( 0.0000000 0.0000000 0.2652391), wk = 0.0034014 k( 16) = ( 0.0000000 0.0000000 0.2841847), wk = 0.0034014 k( 17) = ( 0.0000000 0.0000000 0.3031304), wk = 0.0034014 k( 18) = ( 0.0000000 0.0000000 0.3220760), wk = 0.0034014 k( 19) = ( 0.0000000 0.0000000 0.3410216), wk = 0.0034014 k( 20) = ( 0.0000000 0.0000000 0.3599673), wk = 0.0034014 k( 21) = ( 0.0000000 0.0000000 0.3789129), wk = 0.0034014 k( 22) = ( 0.0000000 0.0000000 0.3978586), wk = 0.0034014 k( 23) = ( 0.0000000 0.0000000 0.4168042), wk = 0.0034014 k( 24) = ( 0.0000000 0.0000000 0.4357499), wk = 0.0034014 k( 25) = ( 0.0000000 0.0000000 0.4546955), wk = 0.0034014 k( 26) = ( 0.0000000 0.0000000 0.4736412), wk = 0.0034014 k( 27) = ( 0.0000000 0.0000000 0.4925868), wk = 0.0034014 k( 28) = ( 0.0000000 0.0000000 0.5115325), wk = 0.0034014 k( 29) = ( 0.0000000 0.0000000 0.5304781), wk = 0.0034014 k( 30) = ( 0.0000000 0.0000000 0.5494238), wk = 0.0034014 k( 31) = ( 0.0000000 0.0000000 0.5683694), wk = 0.0034014 k( 32) = ( 0.0000000 0.0000000 0.5873151), wk = 0.0034014 k( 33) = ( 0.0000000 0.0000000 0.6062607), wk = 0.0034014 k( 34) = ( 0.0000000 0.0000000 0.6252064), wk = 0.0034014 k( 35) = ( 0.0000000 0.0000000 0.6441520), wk = 0.0034014 k( 36) = ( 0.0000000 0.0000000 0.6630976), wk = 0.0034014 k( 37) = ( 0.0000000 0.0000000 0.6820433), wk = 0.0034014 k( 38) = ( 0.0000000 0.0000000 0.7009889), wk = 0.0034014 k( 39) = ( 0.0000000 0.0000000 0.7199346), wk = 0.0034014 k( 40) = ( 0.0000000 0.0000000 0.7388802), wk = 0.0034014 k( 41) = ( 0.0000000 0.0000000 0.7578259), wk = 0.0034014 k( 42) = ( 0.0000000 0.0000000 0.7578259), wk = 0.0034014 k( 43) = ( -0.0120452 0.0137188 0.7578259), wk = 0.0034014 k( 44) = ( -0.0240903 0.0274376 0.7578259), wk = 0.0034014 k( 45) = ( -0.0361355 0.0411564 0.7578259), wk = 0.0034014 k( 46) = ( -0.0481807 0.0548753 0.7578259), wk = 0.0034014 k( 47) = ( -0.0602259 0.0685941 0.7578259), wk = 0.0034014 k( 48) = ( -0.0722710 0.0823129 0.7578259), wk = 0.0034014 k( 49) = ( -0.0843162 0.0960317 0.7578259), wk = 0.0034014 k( 50) = ( -0.0963614 0.1097505 0.7578259), wk = 0.0034014 k( 51) = ( -0.1084066 0.1234693 0.7578259), wk = 0.0034014 k( 52) = ( -0.1204517 0.1371881 0.7578259), wk = 0.0034014 k( 53) = ( -0.1324969 0.1509069 0.7578259), wk = 0.0034014 k( 54) = ( -0.1445421 0.1646257 0.7578259), wk = 0.0034014 k( 55) = ( -0.1565872 0.1783446 0.7578259), wk = 0.0034014 k( 56) = ( -0.1686324 0.1920634 0.7578259), wk = 0.0034014 k( 57) = ( -0.1806776 0.2057822 0.7578259), wk = 0.0034014 k( 58) = ( -0.1927227 0.2195010 0.7578259), wk = 0.0034014 k( 59) = ( -0.1927227 0.2195010 0.7578259), wk = 0.0034014 k( 60) = ( -0.2012582 0.2292225 0.7448891), wk = 0.0034014 k( 61) = ( -0.2097937 0.2389439 0.7319522), wk = 0.0034014 k( 62) = ( -0.2183292 0.2486654 0.7190154), wk = 0.0034014 k( 63) = ( -0.2268647 0.2583868 0.7060786), wk = 0.0034014 k( 64) = ( -0.2354002 0.2681083 0.6931418), wk = 0.0034014 k( 65) = ( -0.2439356 0.2778297 0.6802050), wk = 0.0034014 k( 66) = ( -0.2524711 0.2875512 0.6672682), wk = 0.0034014 k( 67) = ( -0.2610066 0.2972727 0.6543314), wk = 0.0034014 k( 68) = ( -0.2695421 0.3069941 0.6413946), wk = 0.0034014 k( 69) = ( -0.2780775 0.3167156 0.6284577), wk = 0.0034014 k( 70) = ( -0.2866130 0.3264370 0.6155209), wk = 0.0034014 k( 71) = ( -0.2951485 0.3361585 0.6025841), wk = 0.0034014 k( 72) = ( -0.3036840 0.3458800 0.5896473), wk = 0.0034014 k( 73) = ( -0.3122195 0.3556014 0.5767105), wk = 0.0034014 k( 74) = ( -0.3207549 0.3653229 0.5637737), wk = 0.0034014 k( 75) = ( -0.3292904 0.3750443 0.5508369), wk = 0.0034014 k( 76) = ( -0.3378259 0.3847658 0.5379000), wk = 0.0034014 k( 77) = ( -0.3463614 0.3944872 0.5249632), wk = 0.0034014 k( 78) = ( -0.3463614 0.3944872 0.5249632), wk = 0.0034014 k( 79) = ( -0.3374803 0.3843722 0.5115026), wk = 0.0034014 k( 80) = ( -0.3285993 0.3742571 0.4980420), wk = 0.0034014 k( 81) = ( -0.3197182 0.3641421 0.4845814), wk = 0.0034014 k( 82) = ( -0.3108371 0.3540270 0.4711208), wk = 0.0034014 k( 83) = ( -0.3019561 0.3439120 0.4576602), wk = 0.0034014 k( 84) = ( -0.2930750 0.3337969 0.4441997), wk = 0.0034014 k( 85) = ( -0.2841939 0.3236818 0.4307391), wk = 0.0034014 k( 86) = ( -0.2753129 0.3135668 0.4172785), wk = 0.0034014 k( 87) = ( -0.2664318 0.3034517 0.4038179), wk = 0.0034014 k( 88) = ( -0.2575508 0.2933367 0.3903573), wk = 0.0034014 k( 89) = ( -0.2486697 0.2832216 0.3768967), wk = 0.0034014 k( 90) = ( -0.2397886 0.2731066 0.3634361), wk = 0.0034014 k( 91) = ( -0.2309076 0.2629915 0.3499755), wk = 0.0034014 k( 92) = ( -0.2220265 0.2528764 0.3365149), wk = 0.0034014 k( 93) = ( -0.2131455 0.2427614 0.3230543), wk = 0.0034014 k( 94) = ( -0.2042644 0.2326463 0.3095937), wk = 0.0034014 k( 95) = ( -0.1953833 0.2225313 0.2961331), wk = 0.0034014 k( 96) = ( -0.1865023 0.2124162 0.2826725), wk = 0.0034014 k( 97) = ( -0.1776212 0.2023012 0.2692119), wk = 0.0034014 k( 98) = ( -0.1687402 0.1921861 0.2557513), wk = 0.0034014 k( 99) = ( -0.1598591 0.1820710 0.2422907), wk = 0.0034014 k( 100) = ( -0.1509780 0.1719560 0.2288301), wk = 0.0034014 k( 101) = ( -0.1420970 0.1618409 0.2153695), wk = 0.0034014 k( 102) = ( -0.1332159 0.1517259 0.2019089), wk = 0.0034014 k( 103) = ( -0.1243348 0.1416108 0.1884483), wk = 0.0034014 k( 104) = ( -0.1154538 0.1314957 0.1749877), wk = 0.0034014 k( 105) = ( -0.1065727 0.1213807 0.1615271), wk = 0.0034014 k( 106) = ( -0.0976917 0.1112656 0.1480666), wk = 0.0034014 k( 107) = ( -0.0888106 0.1011506 0.1346060), wk = 0.0034014 k( 108) = ( -0.0799296 0.0910355 0.1211454), wk = 0.0034014 k( 109) = ( -0.0710485 0.0809205 0.1076848), wk = 0.0034014 k( 110) = ( -0.0621674 0.0708054 0.0942242), wk = 0.0034014 k( 111) = ( -0.0532864 0.0606904 0.0807636), wk = 0.0034014 k( 112) = ( -0.0444053 0.0505753 0.0673030), wk = 0.0034014 k( 113) = ( -0.0355242 0.0404602 0.0538424), wk = 0.0034014 k( 114) = ( -0.0266432 0.0303452 0.0403818), wk = 0.0034014 k( 115) = ( -0.0177621 0.0202301 0.0269212), wk = 0.0034014 k( 116) = ( -0.0088811 0.0101151 0.0134606), wk = 0.0034014 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014 k( 118) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014 k( 119) = ( 0.0142857 0.0125429 0.0000000), wk = 0.0034014 k( 120) = ( 0.0285714 0.0250858 0.0000000), wk = 0.0034014 k( 121) = ( 0.0428571 0.0376287 0.0000000), wk = 0.0034014 k( 122) = ( 0.0571429 0.0501717 0.0000000), wk = 0.0034014 k( 123) = ( 0.0714286 0.0627146 0.0000000), wk = 0.0034014 k( 124) = ( 0.0857143 0.0752575 0.0000000), wk = 0.0034014 k( 125) = ( 0.1000000 0.0878004 0.0000000), wk = 0.0034014 k( 126) = ( 0.1142857 0.1003433 0.0000000), wk = 0.0034014 k( 127) = ( 0.1285714 0.1128862 0.0000000), wk = 0.0034014 k( 128) = ( 0.1428571 0.1254291 0.0000000), wk = 0.0034014 k( 129) = ( 0.1571429 0.1379721 0.0000000), wk = 0.0034014 k( 130) = ( 0.1714286 0.1505150 0.0000000), wk = 0.0034014 k( 131) = ( 0.1857143 0.1630579 0.0000000), wk = 0.0034014 k( 132) = ( 0.2000000 0.1756008 0.0000000), wk = 0.0034014 k( 133) = ( 0.2142857 0.1881437 0.0000000), wk = 0.0034014 k( 134) = ( 0.2285714 0.2006866 0.0000000), wk = 0.0034014 k( 135) = ( 0.2428571 0.2132295 0.0000000), wk = 0.0034014 k( 136) = ( 0.2571429 0.2257725 0.0000000), wk = 0.0034014 k( 137) = ( 0.2714286 0.2383154 0.0000000), wk = 0.0034014 k( 138) = ( 0.2857143 0.2508583 0.0000000), wk = 0.0034014 k( 139) = ( 0.3000000 0.2634012 0.0000000), wk = 0.0034014 k( 140) = ( 0.3142857 0.2759441 0.0000000), wk = 0.0034014 k( 141) = ( 0.3285714 0.2884870 0.0000000), wk = 0.0034014 k( 142) = ( 0.3428571 0.3010299 0.0000000), wk = 0.0034014 k( 143) = ( 0.3571429 0.3135729 0.0000000), wk = 0.0034014 k( 144) = ( 0.3714286 0.3261158 0.0000000), wk = 0.0034014 k( 145) = ( 0.3857143 0.3386587 0.0000000), wk = 0.0034014 k( 146) = ( 0.4000000 0.3512016 0.0000000), wk = 0.0034014 k( 147) = ( 0.4142857 0.3637445 0.0000000), wk = 0.0034014 k( 148) = ( 0.4285714 0.3762874 0.0000000), wk = 0.0034014 k( 149) = ( 0.4428571 0.3888303 0.0000000), wk = 0.0034014 k( 150) = ( 0.4571429 0.4013733 0.0000000), wk = 0.0034014 k( 151) = ( 0.4714286 0.4139162 0.0000000), wk = 0.0034014 k( 152) = ( 0.4857143 0.4264591 0.0000000), wk = 0.0034014 k( 153) = ( 0.5000000 0.4390020 0.0000000), wk = 0.0034014 k( 154) = ( 0.5000000 0.4390020 0.0000000), wk = 0.0034014 k( 155) = ( 0.4914645 0.4487235 0.0129368), wk = 0.0034014 k( 156) = ( 0.4829290 0.4584449 0.0258736), wk = 0.0034014 k( 157) = ( 0.4743936 0.4681664 0.0388104), wk = 0.0034014 k( 158) = ( 0.4658581 0.4778878 0.0517473), wk = 0.0034014 k( 159) = ( 0.4573226 0.4876093 0.0646841), wk = 0.0034014 k( 160) = ( 0.4487871 0.4973307 0.0776209), wk = 0.0034014 k( 161) = ( 0.4402516 0.5070522 0.0905577), wk = 0.0034014 k( 162) = ( 0.4317162 0.5167737 0.1034945), wk = 0.0034014 k( 163) = ( 0.4231807 0.5264951 0.1164313), wk = 0.0034014 k( 164) = ( 0.4146452 0.5362166 0.1293681), wk = 0.0034014 k( 165) = ( 0.4061097 0.5459380 0.1423050), wk = 0.0034014 k( 166) = ( 0.3975743 0.5556595 0.1552418), wk = 0.0034014 k( 167) = ( 0.3890388 0.5653810 0.1681786), wk = 0.0034014 k( 168) = ( 0.3805033 0.5751024 0.1811154), wk = 0.0034014 k( 169) = ( 0.3719678 0.5848239 0.1940522), wk = 0.0034014 k( 170) = ( 0.3634323 0.5945453 0.2069890), wk = 0.0034014 k( 171) = ( 0.3548968 0.6042668 0.2199258), wk = 0.0034014 k( 172) = ( 0.3463614 0.6139882 0.2328627), wk = 0.0034014 k( 173) = ( 0.3463614 0.6139882 0.2328627), wk = 0.0034014 k( 174) = ( 0.3298680 0.6087620 0.2398174), wk = 0.0034014 k( 175) = ( 0.3133746 0.6035358 0.2467722), wk = 0.0034014 k( 176) = ( 0.2968812 0.5983096 0.2537270), wk = 0.0034014 k( 177) = ( 0.2803878 0.5930834 0.2606818), wk = 0.0034014 k( 178) = ( 0.2638944 0.5878572 0.2676365), wk = 0.0034014 k( 179) = ( 0.2474010 0.5826310 0.2745913), wk = 0.0034014 k( 180) = ( 0.2309076 0.5774047 0.2815461), wk = 0.0034014 k( 181) = ( 0.2144142 0.5721785 0.2885009), wk = 0.0034014 k( 182) = ( 0.1979208 0.5669523 0.2954556), wk = 0.0034014 k( 183) = ( 0.1814274 0.5617261 0.3024104), wk = 0.0034014 k( 184) = ( 0.1649340 0.5564999 0.3093652), wk = 0.0034014 k( 185) = ( 0.1484406 0.5512737 0.3163200), wk = 0.0034014 k( 186) = ( 0.1319472 0.5460475 0.3232747), wk = 0.0034014 k( 187) = ( 0.1154538 0.5408212 0.3302295), wk = 0.0034014 k( 188) = ( 0.0989604 0.5355950 0.3371843), wk = 0.0034014 k( 189) = ( 0.0824670 0.5303688 0.3441391), wk = 0.0034014 k( 190) = ( 0.0659736 0.5251426 0.3510938), wk = 0.0034014 k( 191) = ( 0.0494802 0.5199164 0.3580486), wk = 0.0034014 k( 192) = ( 0.0329868 0.5146902 0.3650034), wk = 0.0034014 k( 193) = ( 0.0164934 0.5094640 0.3719582), wk = 0.0034014 k( 194) = ( 0.0000000 0.5042377 0.3789129), wk = 0.0034014 k( 195) = ( 0.0000000 0.5042377 0.3789129), wk = 0.0034014 k( 196) = ( 0.0086207 0.4944192 0.3919789), wk = 0.0034014 k( 197) = ( 0.0172414 0.4846007 0.4050449), wk = 0.0034014 k( 198) = ( 0.0258621 0.4747822 0.4181108), wk = 0.0034014 k( 199) = ( 0.0344828 0.4649637 0.4311768), wk = 0.0034014 k( 200) = ( 0.0431035 0.4551452 0.4442428), wk = 0.0034014 k( 201) = ( 0.0517241 0.4453267 0.4573087), wk = 0.0034014 k( 202) = ( 0.0603448 0.4355082 0.4703747), wk = 0.0034014 k( 203) = ( 0.0689655 0.4256897 0.4834407), wk = 0.0034014 k( 204) = ( 0.0775862 0.4158712 0.4965066), wk = 0.0034014 k( 205) = ( 0.0862069 0.4060527 0.5095726), wk = 0.0034014 k( 206) = ( 0.0948276 0.3962341 0.5226385), wk = 0.0034014 k( 207) = ( 0.1034483 0.3864156 0.5357045), wk = 0.0034014 k( 208) = ( 0.1120690 0.3765971 0.5487705), wk = 0.0034014 k( 209) = ( 0.1206897 0.3667786 0.5618364), wk = 0.0034014 k( 210) = ( 0.1293103 0.3569601 0.5749024), wk = 0.0034014 k( 211) = ( 0.1379310 0.3471416 0.5879683), wk = 0.0034014 k( 212) = ( 0.1465517 0.3373231 0.6010343), wk = 0.0034014 k( 213) = ( 0.1551724 0.3275046 0.6141003), wk = 0.0034014 k( 214) = ( 0.1637931 0.3176861 0.6271662), wk = 0.0034014 k( 215) = ( 0.1724138 0.3078676 0.6402322), wk = 0.0034014 k( 216) = ( 0.1810345 0.2980491 0.6532982), wk = 0.0034014 k( 217) = ( 0.1896552 0.2882306 0.6663641), wk = 0.0034014 k( 218) = ( 0.1982759 0.2784121 0.6794301), wk = 0.0034014 k( 219) = ( 0.2068966 0.2685935 0.6924961), wk = 0.0034014 k( 220) = ( 0.2155172 0.2587750 0.7055620), wk = 0.0034014 k( 221) = ( 0.2241379 0.2489565 0.7186280), wk = 0.0034014 k( 222) = ( 0.2327586 0.2391380 0.7316940), wk = 0.0034014 k( 223) = ( 0.2413793 0.2293195 0.7447599), wk = 0.0034014 k( 224) = ( 0.2500000 0.2195010 0.7578259), wk = 0.0034014 k( 225) = ( 0.2500000 0.2195010 0.7578259), wk = 0.0034014 k( 226) = ( 0.2604167 0.2286469 0.7456550), wk = 0.0034014 k( 227) = ( 0.2708333 0.2377927 0.7334842), wk = 0.0034014 k( 228) = ( 0.2812500 0.2469386 0.7213133), wk = 0.0034014 k( 229) = ( 0.2916667 0.2560845 0.7091425), wk = 0.0034014 k( 230) = ( 0.3020833 0.2652304 0.6969716), wk = 0.0034014 k( 231) = ( 0.3125000 0.2743762 0.6848007), wk = 0.0034014 k( 232) = ( 0.3229167 0.2835221 0.6726299), wk = 0.0034014 k( 233) = ( 0.3333333 0.2926680 0.6604590), wk = 0.0034014 k( 234) = ( 0.3437500 0.3018139 0.6482882), wk = 0.0034014 k( 235) = ( 0.3541667 0.3109597 0.6361173), wk = 0.0034014 k( 236) = ( 0.3645833 0.3201056 0.6239464), wk = 0.0034014 k( 237) = ( 0.3750000 0.3292515 0.6117756), wk = 0.0034014 k( 238) = ( 0.3854167 0.3383974 0.5996047), wk = 0.0034014 k( 239) = ( 0.3958333 0.3475432 0.5874339), wk = 0.0034014 k( 240) = ( 0.4062500 0.3566891 0.5752630), wk = 0.0034014 k( 241) = ( 0.4166667 0.3658350 0.5630922), wk = 0.0034014 k( 242) = ( 0.4270833 0.3749809 0.5509213), wk = 0.0034014 k( 243) = ( 0.4375000 0.3841267 0.5387505), wk = 0.0034014 k( 244) = ( 0.4479167 0.3932726 0.5265796), wk = 0.0034014 k( 245) = ( 0.4583333 0.4024185 0.5144087), wk = 0.0034014 k( 246) = ( 0.4687500 0.4115644 0.5022379), wk = 0.0034014 k( 247) = ( 0.4791667 0.4207102 0.4900670), wk = 0.0034014 k( 248) = ( 0.4895833 0.4298561 0.4778962), wk = 0.0034014 k( 249) = ( 0.5000000 0.4390020 0.4657253), wk = 0.0034014 k( 250) = ( 0.5000000 0.4390020 0.4657253), wk = 0.0034014 k( 251) = ( 0.5000000 0.4390020 0.4470963), wk = 0.0034014 k( 252) = ( 0.5000000 0.4390020 0.4284673), wk = 0.0034014 k( 253) = ( 0.5000000 0.4390020 0.4098383), wk = 0.0034014 k( 254) = ( 0.5000000 0.4390020 0.3912093), wk = 0.0034014 k( 255) = ( 0.5000000 0.4390020 0.3725802), wk = 0.0034014 k( 256) = ( 0.5000000 0.4390020 0.3539512), wk = 0.0034014 k( 257) = ( 0.5000000 0.4390020 0.3353222), wk = 0.0034014 k( 258) = ( 0.5000000 0.4390020 0.3166932), wk = 0.0034014 k( 259) = ( 0.5000000 0.4390020 0.2980642), wk = 0.0034014 k( 260) = ( 0.5000000 0.4390020 0.2794352), wk = 0.0034014 k( 261) = ( 0.5000000 0.4390020 0.2608062), wk = 0.0034014 k( 262) = ( 0.5000000 0.4390020 0.2421772), wk = 0.0034014 k( 263) = ( 0.5000000 0.4390020 0.2235481), wk = 0.0034014 k( 264) = ( 0.5000000 0.4390020 0.2049191), wk = 0.0034014 k( 265) = ( 0.5000000 0.4390020 0.1862901), wk = 0.0034014 k( 266) = ( 0.5000000 0.4390020 0.1676611), wk = 0.0034014 k( 267) = ( 0.5000000 0.4390020 0.1490321), wk = 0.0034014 k( 268) = ( 0.5000000 0.4390020 0.1304031), wk = 0.0034014 k( 269) = ( 0.5000000 0.4390020 0.1117741), wk = 0.0034014 k( 270) = ( 0.5000000 0.4390020 0.0931451), wk = 0.0034014 k( 271) = ( 0.5000000 0.4390020 0.0745160), wk = 0.0034014 k( 272) = ( 0.5000000 0.4390020 0.0558870), wk = 0.0034014 k( 273) = ( 0.5000000 0.4390020 0.0372580), wk = 0.0034014 k( 274) = ( 0.5000000 0.4390020 0.0186290), wk = 0.0034014 k( 275) = ( 0.5000000 0.4390020 0.0000000), wk = 0.0034014 k( 276) = ( 0.0000000 0.0000000 0.7578259), wk = 0.0034014 k( 277) = ( 0.0138889 0.0121945 0.7578259), wk = 0.0034014 k( 278) = ( 0.0277778 0.0243890 0.7578259), wk = 0.0034014 k( 279) = ( 0.0416667 0.0365835 0.7578259), wk = 0.0034014 k( 280) = ( 0.0555556 0.0487780 0.7578259), wk = 0.0034014 k( 281) = ( 0.0694444 0.0609725 0.7578259), wk = 0.0034014 k( 282) = ( 0.0833333 0.0731670 0.7578259), wk = 0.0034014 k( 283) = ( 0.0972222 0.0853615 0.7578259), wk = 0.0034014 k( 284) = ( 0.1111111 0.0975560 0.7578259), wk = 0.0034014 k( 285) = ( 0.1250000 0.1097505 0.7578259), wk = 0.0034014 k( 286) = ( 0.1388889 0.1219450 0.7578259), wk = 0.0034014 k( 287) = ( 0.1527778 0.1341395 0.7578259), wk = 0.0034014 k( 288) = ( 0.1666667 0.1463340 0.7578259), wk = 0.0034014 k( 289) = ( 0.1805556 0.1585285 0.7578259), wk = 0.0034014 k( 290) = ( 0.1944444 0.1707230 0.7578259), wk = 0.0034014 k( 291) = ( 0.2083333 0.1829175 0.7578259), wk = 0.0034014 k( 292) = ( 0.2222222 0.1951120 0.7578259), wk = 0.0034014 k( 293) = ( 0.2361111 0.2073065 0.7578259), wk = 0.0034014 k( 294) = ( 0.2500000 0.2195010 0.7578259), wk = 0.0034014 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014 k( 2) = ( 0.0000000 0.0000000 0.0125000), wk = 0.0034014 k( 3) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0034014 k( 4) = ( 0.0000000 0.0000000 0.0375000), wk = 0.0034014 k( 5) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0034014 k( 6) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0034014 k( 7) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0034014 k( 8) = ( 0.0000000 0.0000000 0.0875000), wk = 0.0034014 k( 9) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0034014 k( 10) = ( 0.0000000 0.0000000 0.1125000), wk = 0.0034014 k( 11) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0034014 k( 12) = ( 0.0000000 0.0000000 0.1375000), wk = 0.0034014 k( 13) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0034014 k( 14) = ( 0.0000000 0.0000000 0.1625000), wk = 0.0034014 k( 15) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0034014 k( 16) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0034014 k( 17) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0034014 k( 18) = ( 0.0000000 0.0000000 0.2125000), wk = 0.0034014 k( 19) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0034014 k( 20) = ( 0.0000000 0.0000000 0.2375000), wk = 0.0034014 k( 21) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0034014 k( 22) = ( 0.0000000 0.0000000 0.2625000), wk = 0.0034014 k( 23) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0034014 k( 24) = ( 0.0000000 0.0000000 0.2875000), wk = 0.0034014 k( 25) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0034014 k( 26) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0034014 k( 27) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0034014 k( 28) = ( 0.0000000 0.0000000 0.3375000), wk = 0.0034014 k( 29) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0034014 k( 30) = ( 0.0000000 0.0000000 0.3625000), wk = 0.0034014 k( 31) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0034014 k( 32) = ( 0.0000000 0.0000000 0.3875000), wk = 0.0034014 k( 33) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0034014 k( 34) = ( 0.0000000 0.0000000 0.4125000), wk = 0.0034014 k( 35) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0034014 k( 36) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0034014 k( 37) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0034014 k( 38) = ( 0.0000000 0.0000000 0.4625000), wk = 0.0034014 k( 39) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0034014 k( 40) = ( 0.0000000 0.0000000 0.4875000), wk = 0.0034014 k( 41) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034014 k( 42) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034014 k( 43) = ( -0.0120452 0.0120452 0.5000000), wk = 0.0034014 k( 44) = ( -0.0240903 0.0240903 0.5000000), wk = 0.0034014 k( 45) = ( -0.0361355 0.0361355 0.5000000), wk = 0.0034014 k( 46) = ( -0.0481807 0.0481807 0.5000000), wk = 0.0034014 k( 47) = ( -0.0602259 0.0602259 0.5000000), wk = 0.0034014 k( 48) = ( -0.0722710 0.0722710 0.5000000), wk = 0.0034014 k( 49) = ( -0.0843162 0.0843162 0.5000000), wk = 0.0034014 k( 50) = ( -0.0963614 0.0963614 0.5000000), wk = 0.0034014 k( 51) = ( -0.1084066 0.1084066 0.5000000), wk = 0.0034014 k( 52) = ( -0.1204517 0.1204517 0.5000000), wk = 0.0034014 k( 53) = ( -0.1324969 0.1324969 0.5000000), wk = 0.0034014 k( 54) = ( -0.1445421 0.1445421 0.5000000), wk = 0.0034014 k( 55) = ( -0.1565872 0.1565872 0.5000000), wk = 0.0034014 k( 56) = ( -0.1686324 0.1686324 0.5000000), wk = 0.0034014 k( 57) = ( -0.1806776 0.1806776 0.5000000), wk = 0.0034014 k( 58) = ( -0.1927227 0.1927227 0.5000000), wk = 0.0034014 k( 59) = ( -0.1927227 0.1927227 0.5000000), wk = 0.0034014 k( 60) = ( -0.2012582 0.2012582 0.4914645), wk = 0.0034014 k( 61) = ( -0.2097937 0.2097937 0.4829290), wk = 0.0034014 k( 62) = ( -0.2183292 0.2183292 0.4743936), wk = 0.0034014 k( 63) = ( -0.2268647 0.2268647 0.4658581), wk = 0.0034014 k( 64) = ( -0.2354002 0.2354002 0.4573226), wk = 0.0034014 k( 65) = ( -0.2439356 0.2439356 0.4487871), wk = 0.0034014 k( 66) = ( -0.2524711 0.2524711 0.4402516), wk = 0.0034014 k( 67) = ( -0.2610066 0.2610066 0.4317162), wk = 0.0034014 k( 68) = ( -0.2695421 0.2695421 0.4231807), wk = 0.0034014 k( 69) = ( -0.2780775 0.2780775 0.4146452), wk = 0.0034014 k( 70) = ( -0.2866130 0.2866130 0.4061097), wk = 0.0034014 k( 71) = ( -0.2951485 0.2951485 0.3975743), wk = 0.0034014 k( 72) = ( -0.3036840 0.3036840 0.3890388), wk = 0.0034014 k( 73) = ( -0.3122195 0.3122195 0.3805033), wk = 0.0034014 k( 74) = ( -0.3207549 0.3207549 0.3719678), wk = 0.0034014 k( 75) = ( -0.3292904 0.3292904 0.3634323), wk = 0.0034014 k( 76) = ( -0.3378259 0.3378259 0.3548969), wk = 0.0034014 k( 77) = ( -0.3463614 0.3463614 0.3463614), wk = 0.0034014 k( 78) = ( -0.3463614 0.3463614 0.3463614), wk = 0.0034014 k( 79) = ( -0.3374803 0.3374803 0.3374803), wk = 0.0034014 k( 80) = ( -0.3285993 0.3285993 0.3285992), wk = 0.0034014 k( 81) = ( -0.3197182 0.3197182 0.3197182), wk = 0.0034014 k( 82) = ( -0.3108371 0.3108371 0.3108371), wk = 0.0034014 k( 83) = ( -0.3019561 0.3019561 0.3019561), wk = 0.0034014 k( 84) = ( -0.2930750 0.2930750 0.2930750), wk = 0.0034014 k( 85) = ( -0.2841939 0.2841940 0.2841939), wk = 0.0034014 k( 86) = ( -0.2753129 0.2753129 0.2753129), wk = 0.0034014 k( 87) = ( -0.2664318 0.2664318 0.2664318), wk = 0.0034014 k( 88) = ( -0.2575508 0.2575508 0.2575508), wk = 0.0034014 k( 89) = ( -0.2486697 0.2486697 0.2486697), wk = 0.0034014 k( 90) = ( -0.2397886 0.2397886 0.2397886), wk = 0.0034014 k( 91) = ( -0.2309076 0.2309076 0.2309076), wk = 0.0034014 k( 92) = ( -0.2220265 0.2220265 0.2220265), wk = 0.0034014 k( 93) = ( -0.2131455 0.2131455 0.2131455), wk = 0.0034014 k( 94) = ( -0.2042644 0.2042644 0.2042644), wk = 0.0034014 k( 95) = ( -0.1953833 0.1953833 0.1953833), wk = 0.0034014 k( 96) = ( -0.1865023 0.1865023 0.1865023), wk = 0.0034014 k( 97) = ( -0.1776212 0.1776212 0.1776212), wk = 0.0034014 k( 98) = ( -0.1687402 0.1687402 0.1687402), wk = 0.0034014 k( 99) = ( -0.1598591 0.1598591 0.1598591), wk = 0.0034014 k( 100) = ( -0.1509780 0.1509780 0.1509780), wk = 0.0034014 k( 101) = ( -0.1420970 0.1420970 0.1420970), wk = 0.0034014 k( 102) = ( -0.1332159 0.1332159 0.1332159), wk = 0.0034014 k( 103) = ( -0.1243348 0.1243349 0.1243348), wk = 0.0034014 k( 104) = ( -0.1154538 0.1154538 0.1154538), wk = 0.0034014 k( 105) = ( -0.1065727 0.1065727 0.1065727), wk = 0.0034014 k( 106) = ( -0.0976917 0.0976917 0.0976917), wk = 0.0034014 k( 107) = ( -0.0888106 0.0888106 0.0888106), wk = 0.0034014 k( 108) = ( -0.0799296 0.0799296 0.0799295), wk = 0.0034014 k( 109) = ( -0.0710485 0.0710485 0.0710485), wk = 0.0034014 k( 110) = ( -0.0621674 0.0621674 0.0621674), wk = 0.0034014 k( 111) = ( -0.0532864 0.0532864 0.0532864), wk = 0.0034014 k( 112) = ( -0.0444053 0.0444053 0.0444053), wk = 0.0034014 k( 113) = ( -0.0355242 0.0355242 0.0355242), wk = 0.0034014 k( 114) = ( -0.0266432 0.0266432 0.0266432), wk = 0.0034014 k( 115) = ( -0.0177621 0.0177621 0.0177621), wk = 0.0034014 k( 116) = ( -0.0088811 0.0088811 0.0088811), wk = 0.0034014 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014 k( 118) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014 k( 119) = ( 0.0142857 0.0142857 -0.0142857), wk = 0.0034014 k( 120) = ( 0.0285714 0.0285714 -0.0285714), wk = 0.0034014 k( 121) = ( 0.0428571 0.0428571 -0.0428571), wk = 0.0034014 k( 122) = ( 0.0571429 0.0571429 -0.0571429), wk = 0.0034014 k( 123) = ( 0.0714286 0.0714286 -0.0714286), wk = 0.0034014 k( 124) = ( 0.0857143 0.0857143 -0.0857143), wk = 0.0034014 k( 125) = ( 0.1000000 0.1000000 -0.1000000), wk = 0.0034014 k( 126) = ( 0.1142857 0.1142857 -0.1142857), wk = 0.0034014 k( 127) = ( 0.1285714 0.1285714 -0.1285714), wk = 0.0034014 k( 128) = ( 0.1428571 0.1428571 -0.1428571), wk = 0.0034014 k( 129) = ( 0.1571429 0.1571429 -0.1571429), wk = 0.0034014 k( 130) = ( 0.1714286 0.1714286 -0.1714286), wk = 0.0034014 k( 131) = ( 0.1857143 0.1857143 -0.1857143), wk = 0.0034014 k( 132) = ( 0.2000000 0.2000000 -0.2000000), wk = 0.0034014 k( 133) = ( 0.2142857 0.2142857 -0.2142857), wk = 0.0034014 k( 134) = ( 0.2285714 0.2285714 -0.2285714), wk = 0.0034014 k( 135) = ( 0.2428571 0.2428571 -0.2428571), wk = 0.0034014 k( 136) = ( 0.2571429 0.2571429 -0.2571429), wk = 0.0034014 k( 137) = ( 0.2714286 0.2714286 -0.2714286), wk = 0.0034014 k( 138) = ( 0.2857143 0.2857143 -0.2857143), wk = 0.0034014 k( 139) = ( 0.3000000 0.3000000 -0.3000000), wk = 0.0034014 k( 140) = ( 0.3142857 0.3142857 -0.3142857), wk = 0.0034014 k( 141) = ( 0.3285714 0.3285714 -0.3285714), wk = 0.0034014 k( 142) = ( 0.3428571 0.3428571 -0.3428571), wk = 0.0034014 k( 143) = ( 0.3571429 0.3571429 -0.3571429), wk = 0.0034014 k( 144) = ( 0.3714286 0.3714286 -0.3714286), wk = 0.0034014 k( 145) = ( 0.3857143 0.3857143 -0.3857143), wk = 0.0034014 k( 146) = ( 0.4000000 0.4000000 -0.4000000), wk = 0.0034014 k( 147) = ( 0.4142857 0.4142857 -0.4142857), wk = 0.0034014 k( 148) = ( 0.4285714 0.4285714 -0.4285714), wk = 0.0034014 k( 149) = ( 0.4428571 0.4428571 -0.4428571), wk = 0.0034014 k( 150) = ( 0.4571429 0.4571429 -0.4571429), wk = 0.0034014 k( 151) = ( 0.4714286 0.4714286 -0.4714286), wk = 0.0034014 k( 152) = ( 0.4857143 0.4857143 -0.4857143), wk = 0.0034014 k( 153) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0034014 k( 154) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0034014 k( 155) = ( 0.4914645 0.5085355 -0.4914645), wk = 0.0034014 k( 156) = ( 0.4829290 0.5170710 -0.4829290), wk = 0.0034014 k( 157) = ( 0.4743936 0.5256064 -0.4743936), wk = 0.0034014 k( 158) = ( 0.4658581 0.5341419 -0.4658581), wk = 0.0034014 k( 159) = ( 0.4573226 0.5426774 -0.4573226), wk = 0.0034014 k( 160) = ( 0.4487871 0.5512129 -0.4487871), wk = 0.0034014 k( 161) = ( 0.4402516 0.5597484 -0.4402517), wk = 0.0034014 k( 162) = ( 0.4317162 0.5682838 -0.4317162), wk = 0.0034014 k( 163) = ( 0.4231807 0.5768193 -0.4231807), wk = 0.0034014 k( 164) = ( 0.4146452 0.5853548 -0.4146452), wk = 0.0034014 k( 165) = ( 0.4061097 0.5938903 -0.4061097), wk = 0.0034014 k( 166) = ( 0.3975743 0.6024258 -0.3975743), wk = 0.0034014 k( 167) = ( 0.3890388 0.6109612 -0.3890388), wk = 0.0034014 k( 168) = ( 0.3805033 0.6194967 -0.3805033), wk = 0.0034014 k( 169) = ( 0.3719678 0.6280322 -0.3719678), wk = 0.0034014 k( 170) = ( 0.3634323 0.6365677 -0.3634323), wk = 0.0034014 k( 171) = ( 0.3548968 0.6451031 -0.3548968), wk = 0.0034014 k( 172) = ( 0.3463614 0.6536386 -0.3463614), wk = 0.0034014 k( 173) = ( 0.3463614 0.6536386 -0.3463614), wk = 0.0034014 k( 174) = ( 0.3298680 0.6463225 -0.3298680), wk = 0.0034014 k( 175) = ( 0.3133746 0.6390064 -0.3133746), wk = 0.0034014 k( 176) = ( 0.2968812 0.6316903 -0.2968812), wk = 0.0034014 k( 177) = ( 0.2803878 0.6243741 -0.2803878), wk = 0.0034014 k( 178) = ( 0.2638944 0.6170580 -0.2638944), wk = 0.0034014 k( 179) = ( 0.2474010 0.6097419 -0.2474010), wk = 0.0034014 k( 180) = ( 0.2309076 0.6024257 -0.2309076), wk = 0.0034014 k( 181) = ( 0.2144142 0.5951096 -0.2144142), wk = 0.0034014 k( 182) = ( 0.1979208 0.5877935 -0.1979208), wk = 0.0034014 k( 183) = ( 0.1814274 0.5804774 -0.1814274), wk = 0.0034014 k( 184) = ( 0.1649340 0.5731612 -0.1649340), wk = 0.0034014 k( 185) = ( 0.1484406 0.5658451 -0.1484406), wk = 0.0034014 k( 186) = ( 0.1319472 0.5585290 -0.1319472), wk = 0.0034014 k( 187) = ( 0.1154538 0.5512129 -0.1154538), wk = 0.0034014 k( 188) = ( 0.0989604 0.5438968 -0.0989604), wk = 0.0034014 k( 189) = ( 0.0824670 0.5365806 -0.0824670), wk = 0.0034014 k( 190) = ( 0.0659736 0.5292645 -0.0659736), wk = 0.0034014 k( 191) = ( 0.0494802 0.5219484 -0.0494802), wk = 0.0034014 k( 192) = ( 0.0329868 0.5146323 -0.0329868), wk = 0.0034014 k( 193) = ( 0.0164934 0.5073161 -0.0164934), wk = 0.0034014 k( 194) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0034014 k( 195) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0034014 k( 196) = ( 0.0086207 0.4913793 0.0086207), wk = 0.0034014 k( 197) = ( 0.0172414 0.4827586 0.0172414), wk = 0.0034014 k( 198) = ( 0.0258621 0.4741379 0.0258621), wk = 0.0034014 k( 199) = ( 0.0344828 0.4655172 0.0344828), wk = 0.0034014 k( 200) = ( 0.0431035 0.4568966 0.0431034), wk = 0.0034014 k( 201) = ( 0.0517241 0.4482759 0.0517241), wk = 0.0034014 k( 202) = ( 0.0603448 0.4396552 0.0603448), wk = 0.0034014 k( 203) = ( 0.0689655 0.4310345 0.0689655), wk = 0.0034014 k( 204) = ( 0.0775862 0.4224138 0.0775862), wk = 0.0034014 k( 205) = ( 0.0862069 0.4137931 0.0862069), wk = 0.0034014 k( 206) = ( 0.0948276 0.4051724 0.0948276), wk = 0.0034014 k( 207) = ( 0.1034483 0.3965517 0.1034483), wk = 0.0034014 k( 208) = ( 0.1120690 0.3879310 0.1120690), wk = 0.0034014 k( 209) = ( 0.1206897 0.3793103 0.1206897), wk = 0.0034014 k( 210) = ( 0.1293103 0.3706897 0.1293103), wk = 0.0034014 k( 211) = ( 0.1379310 0.3620690 0.1379310), wk = 0.0034014 k( 212) = ( 0.1465517 0.3534483 0.1465517), wk = 0.0034014 k( 213) = ( 0.1551724 0.3448276 0.1551724), wk = 0.0034014 k( 214) = ( 0.1637931 0.3362069 0.1637931), wk = 0.0034014 k( 215) = ( 0.1724138 0.3275862 0.1724138), wk = 0.0034014 k( 216) = ( 0.1810345 0.3189655 0.1810345), wk = 0.0034014 k( 217) = ( 0.1896552 0.3103448 0.1896552), wk = 0.0034014 k( 218) = ( 0.1982759 0.3017241 0.1982759), wk = 0.0034014 k( 219) = ( 0.2068966 0.2931035 0.2068966), wk = 0.0034014 k( 220) = ( 0.2155172 0.2844828 0.2155172), wk = 0.0034014 k( 221) = ( 0.2241379 0.2758621 0.2241379), wk = 0.0034014 k( 222) = ( 0.2327586 0.2672414 0.2327586), wk = 0.0034014 k( 223) = ( 0.2413793 0.2586207 0.2413793), wk = 0.0034014 k( 224) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034014 k( 225) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034014 k( 226) = ( 0.2604167 0.2604167 0.2315532), wk = 0.0034014 k( 227) = ( 0.2708333 0.2708333 0.2131064), wk = 0.0034014 k( 228) = ( 0.2812500 0.2812500 0.1946597), wk = 0.0034014 k( 229) = ( 0.2916667 0.2916667 0.1762129), wk = 0.0034014 k( 230) = ( 0.3020833 0.3020833 0.1577661), wk = 0.0034014 k( 231) = ( 0.3125000 0.3125000 0.1393193), wk = 0.0034014 k( 232) = ( 0.3229167 0.3229167 0.1208725), wk = 0.0034014 k( 233) = ( 0.3333333 0.3333333 0.1024257), wk = 0.0034014 k( 234) = ( 0.3437500 0.3437500 0.0839790), wk = 0.0034014 k( 235) = ( 0.3541667 0.3541667 0.0655322), wk = 0.0034014 k( 236) = ( 0.3645833 0.3645833 0.0470854), wk = 0.0034014 k( 237) = ( 0.3750000 0.3750000 0.0286386), wk = 0.0034014 k( 238) = ( 0.3854167 0.3854167 0.0101918), wk = 0.0034014 k( 239) = ( 0.3958333 0.3958333 -0.0082549), wk = 0.0034014 k( 240) = ( 0.4062500 0.4062500 -0.0267017), wk = 0.0034014 k( 241) = ( 0.4166667 0.4166667 -0.0451485), wk = 0.0034014 k( 242) = ( 0.4270833 0.4270833 -0.0635953), wk = 0.0034014 k( 243) = ( 0.4375000 0.4375000 -0.0820421), wk = 0.0034014 k( 244) = ( 0.4479167 0.4479167 -0.1004888), wk = 0.0034014 k( 245) = ( 0.4583333 0.4583333 -0.1189356), wk = 0.0034014 k( 246) = ( 0.4687500 0.4687500 -0.1373824), wk = 0.0034014 k( 247) = ( 0.4791667 0.4791667 -0.1558292), wk = 0.0034014 k( 248) = ( 0.4895833 0.4895833 -0.1742760), wk = 0.0034014 k( 249) = ( 0.5000000 0.5000000 -0.1927228), wk = 0.0034014 k( 250) = ( 0.5000000 0.5000000 -0.1927228), wk = 0.0034014 k( 251) = ( 0.5000000 0.5000000 -0.2050138), wk = 0.0034014 k( 252) = ( 0.5000000 0.5000000 -0.2173049), wk = 0.0034014 k( 253) = ( 0.5000000 0.5000000 -0.2295960), wk = 0.0034014 k( 254) = ( 0.5000000 0.5000000 -0.2418871), wk = 0.0034014 k( 255) = ( 0.5000000 0.5000000 -0.2541782), wk = 0.0034014 k( 256) = ( 0.5000000 0.5000000 -0.2664693), wk = 0.0034014 k( 257) = ( 0.5000000 0.5000000 -0.2787604), wk = 0.0034014 k( 258) = ( 0.5000000 0.5000000 -0.2910515), wk = 0.0034014 k( 259) = ( 0.5000000 0.5000000 -0.3033426), wk = 0.0034014 k( 260) = ( 0.5000000 0.5000000 -0.3156337), wk = 0.0034014 k( 261) = ( 0.5000000 0.5000000 -0.3279247), wk = 0.0034014 k( 262) = ( 0.5000000 0.5000000 -0.3402158), wk = 0.0034014 k( 263) = ( 0.5000000 0.5000000 -0.3525069), wk = 0.0034014 k( 264) = ( 0.5000000 0.5000000 -0.3647980), wk = 0.0034014 k( 265) = ( 0.5000000 0.5000000 -0.3770891), wk = 0.0034014 k( 266) = ( 0.5000000 0.5000000 -0.3893802), wk = 0.0034014 k( 267) = ( 0.5000000 0.5000000 -0.4016713), wk = 0.0034014 k( 268) = ( 0.5000000 0.5000000 -0.4139624), wk = 0.0034014 k( 269) = ( 0.5000000 0.5000000 -0.4262535), wk = 0.0034014 k( 270) = ( 0.5000000 0.5000000 -0.4385446), wk = 0.0034014 k( 271) = ( 0.5000000 0.5000000 -0.4508356), wk = 0.0034014 k( 272) = ( 0.5000000 0.5000000 -0.4631267), wk = 0.0034014 k( 273) = ( 0.5000000 0.5000000 -0.4754178), wk = 0.0034014 k( 274) = ( 0.5000000 0.5000000 -0.4877089), wk = 0.0034014 k( 275) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0034014 k( 276) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034014 k( 277) = ( 0.0138889 0.0138889 0.4861111), wk = 0.0034014 k( 278) = ( 0.0277778 0.0277778 0.4722222), wk = 0.0034014 k( 279) = ( 0.0416667 0.0416667 0.4583333), wk = 0.0034014 k( 280) = ( 0.0555556 0.0555556 0.4444444), wk = 0.0034014 k( 281) = ( 0.0694444 0.0694444 0.4305556), wk = 0.0034014 k( 282) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0034014 k( 283) = ( 0.0972222 0.0972222 0.4027778), wk = 0.0034014 k( 284) = ( 0.1111111 0.1111111 0.3888889), wk = 0.0034014 k( 285) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0034014 k( 286) = ( 0.1388889 0.1388889 0.3611111), wk = 0.0034014 k( 287) = ( 0.1527778 0.1527778 0.3472222), wk = 0.0034014 k( 288) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0034014 k( 289) = ( 0.1805556 0.1805556 0.3194444), wk = 0.0034014 k( 290) = ( 0.1944444 0.1944444 0.3055556), wk = 0.0034014 k( 291) = ( 0.2083333 0.2083333 0.2916667), wk = 0.0034014 k( 292) = ( 0.2222222 0.2222222 0.2777778), wk = 0.0034014 k( 293) = ( 0.2361111 0.2361111 0.2638889), wk = 0.0034014 k( 294) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034014 Dense grid: 51451 G-vectors FFT dimensions: ( 54, 54, 54) Smooth grid: 33879 G-vectors FFT dimensions: ( 48, 48, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 174, 50) NL pseudopotentials 0.27 Mb ( 87, 204) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 1071) G-vector shells 0.00 Mb ( 515) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.53 Mb ( 174, 200) Each subspace H/S matrix 0.61 Mb ( 200, 200) Each matrix 0.31 Mb ( 204, 2, 50) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./InPS4.save/charge-density.dat Starting wfc are 58 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 43.9 secs Computing kpt #: 2 total cpu time spent up to now is 45.9 secs Computing kpt #: 3 total cpu time spent up to now is 47.8 secs Computing kpt #: 4 total cpu time spent up to now is 49.5 secs Computing kpt #: 5 total cpu time spent up to now is 51.3 secs Computing kpt #: 6 total cpu time spent up to now is 53.1 secs Computing kpt #: 7 total cpu time spent up to now is 54.9 secs Computing kpt #: 8 total cpu time spent up to now is 56.7 secs Computing kpt #: 9 total cpu time spent up to now is 58.4 secs Computing kpt #: 10 total cpu time spent up to now is 60.2 secs Computing kpt #: 11 total cpu time spent up to now is 61.9 secs Computing kpt #: 12 total cpu time spent up to now is 63.7 secs Computing kpt #: 13 total cpu time spent up to now is 65.6 secs Computing kpt #: 14 total cpu time spent up to now is 67.3 secs Computing kpt #: 15 total cpu time spent up to now is 69.1 secs Computing kpt #: 16 total cpu time spent up to now is 70.9 secs Computing kpt #: 17 total cpu time spent up to now is 72.6 secs Computing kpt #: 18 total cpu time spent up to now is 74.3 secs Computing kpt #: 19 total cpu time spent up to now is 75.9 secs Computing kpt #: 20 total cpu time spent up to now is 77.5 secs Computing kpt #: 21 total cpu time spent up to now is 79.2 secs Computing kpt #: 22 total cpu time spent up to now is 80.7 secs Computing kpt #: 23 total cpu time spent up to now is 82.4 secs Computing kpt #: 24 total cpu time spent up to now is 84.0 secs Computing kpt #: 25 total cpu time spent up to now is 85.5 secs Computing kpt #: 26 total cpu time spent up to now is 87.1 secs Computing kpt #: 27 total cpu time spent up to now is 89.0 secs Computing kpt #: 28 total cpu time spent up to now is 90.8 secs Computing kpt #: 29 total cpu time spent up to now is 92.6 secs Computing kpt #: 30 total cpu time spent up to now is 94.7 secs Computing kpt #: 31 total cpu time spent up to now is 96.4 secs Computing kpt #: 32 total cpu time spent up to now is 98.2 secs Computing kpt #: 33 total cpu time spent up to now is 100.0 secs Computing kpt #: 34 total cpu time spent up to now is 101.8 secs Computing kpt #: 35 total cpu time spent up to now is 103.6 secs Computing kpt #: 36 total cpu time spent up to now is 105.4 secs Computing kpt #: 37 total cpu time spent up to now is 107.1 secs Computing kpt #: 38 total cpu time spent up to now is 108.9 secs Computing kpt #: 39 total cpu time spent up to now is 110.6 secs Computing kpt #: 40 total cpu time spent up to now is 112.3 secs Computing kpt #: 41 total cpu time spent up to now is 114.0 secs Computing kpt #: 42 total cpu time spent up to now is 115.7 secs Computing kpt #: 43 total cpu time spent up to now is 117.4 secs Computing kpt #: 44 total cpu time spent up to now is 119.1 secs Computing kpt #: 45 total cpu time spent up to now is 120.9 secs Computing kpt #: 46 total cpu time spent up to now is 122.6 secs Computing kpt #: 47 total cpu time spent up to now is 124.4 secs Computing kpt #: 48 total cpu time spent up to now is 126.2 secs Computing kpt #: 49 total cpu time spent up to now is 127.9 secs Computing kpt #: 50 total cpu time spent up to now is 129.6 secs Computing kpt #: 51 total cpu time spent up to now is 131.4 secs Computing kpt #: 52 total cpu time spent up to now is 133.0 secs Computing kpt #: 53 total cpu time spent up to now is 134.6 secs Computing kpt #: 54 total cpu time spent up to now is 136.2 secs Computing kpt #: 55 total cpu time spent up to now is 137.9 secs Computing kpt #: 56 total cpu time spent up to now is 139.5 secs Computing kpt #: 57 total cpu time spent up to now is 141.2 secs Computing kpt #: 58 total cpu time spent up to now is 142.8 secs Computing kpt #: 59 total cpu time spent up to now is 144.5 secs Computing kpt #: 60 total cpu time spent up to now is 146.1 secs Computing kpt #: 61 total cpu time spent up to now is 147.6 secs Computing kpt #: 62 total cpu time spent up to now is 149.3 secs Computing kpt #: 63 total cpu time spent up to now is 150.9 secs Computing kpt #: 64 total cpu time spent up to now is 152.5 secs Computing kpt #: 65 total cpu time spent up to now is 154.1 secs Computing kpt #: 66 total cpu time spent up to now is 155.7 secs Computing kpt #: 67 total cpu time spent up to now is 157.3 secs Computing kpt #: 68 total cpu time spent up to now is 158.8 secs Computing kpt #: 69 total cpu time spent up to now is 160.4 secs Computing kpt #: 70 total cpu time spent up to now is 162.0 secs Computing kpt #: 71 total cpu time spent up to now is 163.5 secs Computing kpt #: 72 total cpu time spent up to now is 165.1 secs Computing kpt #: 73 total cpu time spent up to now is 166.6 secs Computing kpt #: 74 total cpu time spent up to now is 168.2 secs Computing kpt #: 75 total cpu time spent up to now is 169.7 secs Computing kpt #: 76 total cpu time spent up to now is 171.2 secs Computing kpt #: 77 total cpu time spent up to now is 172.7 secs Computing kpt #: 78 total cpu time spent up to now is 174.2 secs Computing kpt #: 79 total cpu time spent up to now is 175.7 secs Computing kpt #: 80 total cpu time spent up to now is 177.2 secs Computing kpt #: 81 total cpu time spent up to now is 178.6 secs Computing kpt #: 82 total cpu time spent up to now is 180.1 secs Computing kpt #: 83 total cpu time spent up to now is 181.6 secs Computing kpt #: 84 total cpu time spent up to now is 183.1 secs Computing kpt #: 85 total cpu time spent up to now is 184.7 secs Computing kpt #: 86 total cpu time spent up to now is 186.3 secs Computing kpt #: 87 total cpu time spent up to now is 187.8 secs Computing kpt #: 88 total cpu time spent up to now is 190.0 secs Computing kpt #: 89 total cpu time spent up to now is 192.5 secs Computing kpt #: 90 total cpu time spent up to now is 194.9 secs Computing kpt #: 91 total cpu time spent up to now is 196.6 secs Computing kpt #: 92 total cpu time spent up to now is 198.1 secs Computing kpt #: 93 total cpu time spent up to now is 199.6 secs Computing kpt #: 94 total cpu time spent up to now is 201.1 secs Computing kpt #: 95 total cpu time spent up to now is 202.7 secs Computing kpt #: 96 total cpu time spent up to now is 204.2 secs Computing kpt #: 97 total cpu time spent up to now is 205.8 secs Computing kpt #: 98 total cpu time spent up to now is 207.3 secs Computing kpt #: 99 total cpu time spent up to now is 208.9 secs Computing kpt #: 100 total cpu time spent up to now is 210.5 secs Computing kpt #: 101 total cpu time spent up to now is 212.1 secs Computing kpt #: 102 total cpu time spent up to now is 213.7 secs Computing kpt #: 103 total cpu time spent up to now is 215.5 secs Computing kpt #: 104 total cpu time spent up to now is 217.2 secs Computing kpt #: 105 total cpu time spent up to now is 218.9 secs Computing kpt #: 106 total cpu time spent up to now is 220.7 secs Computing kpt #: 107 total cpu time spent up to now is 222.5 secs Computing kpt #: 108 total cpu time spent up to now is 224.3 secs Computing kpt #: 109 total cpu time spent up to now is 226.1 secs Computing kpt #: 110 total cpu time spent up to now is 227.9 secs Computing kpt #: 111 total cpu time spent up to now is 229.7 secs Computing kpt #: 112 total cpu time spent up to now is 231.5 secs Computing kpt #: 113 total cpu time spent up to now is 233.4 secs Computing kpt #: 114 total cpu time spent up to now is 235.3 secs Computing kpt #: 115 total cpu time spent up to now is 237.1 secs Computing kpt #: 116 total cpu time spent up to now is 238.9 secs Computing kpt #: 117 total cpu time spent up to now is 240.8 secs Computing kpt #: 118 total cpu time spent up to now is 242.5 secs Computing kpt #: 119 total cpu time spent up to now is 244.4 secs Computing kpt #: 120 total cpu time spent up to now is 246.2 secs Computing kpt #: 121 total cpu time spent up to now is 248.0 secs Computing kpt #: 122 total cpu time spent up to now is 249.8 secs Computing kpt #: 123 total cpu time spent up to now is 251.6 secs Computing kpt #: 124 total cpu time spent up to now is 253.4 secs Computing kpt #: 125 total cpu time spent up to now is 255.1 secs Computing kpt #: 126 total cpu time spent up to now is 256.9 secs Computing kpt #: 127 total cpu time spent up to now is 258.8 secs Computing kpt #: 128 total cpu time spent up to now is 260.5 secs Computing kpt #: 129 total cpu time spent up to now is 262.3 secs Computing kpt #: 130 total cpu time spent up to now is 264.1 secs Computing kpt #: 131 total cpu time spent up to now is 265.9 secs Computing kpt #: 132 total cpu time spent up to now is 267.7 secs Computing kpt #: 133 total cpu time spent up to now is 269.5 secs Computing kpt #: 134 total cpu time spent up to now is 271.2 secs Computing kpt #: 135 total cpu time spent up to now is 272.9 secs Computing kpt #: 136 total cpu time spent up to now is 274.7 secs Computing kpt #: 137 total cpu time spent up to now is 276.3 secs Computing kpt #: 138 total cpu time spent up to now is 277.9 secs Computing kpt #: 139 total cpu time spent up to now is 279.4 secs Computing kpt #: 140 total cpu time spent up to now is 281.0 secs Computing kpt #: 141 total cpu time spent up to now is 282.7 secs Computing kpt #: 142 total cpu time spent up to now is 284.2 secs Computing kpt #: 143 total cpu time spent up to now is 285.7 secs Computing kpt #: 144 total cpu time spent up to now is 287.3 secs Computing kpt #: 145 total cpu time spent up to now is 288.8 secs Computing kpt #: 146 total cpu time spent up to now is 290.2 secs Computing kpt #: 147 total cpu time spent up to now is 291.7 secs Computing kpt #: 148 total cpu time spent up to now is 293.3 secs Computing kpt #: 149 total cpu time spent up to now is 294.9 secs Computing kpt #: 150 total cpu time spent up to now is 296.4 secs Computing kpt #: 151 total cpu time spent up to now is 297.9 secs Computing kpt #: 152 total cpu time spent up to now is 299.4 secs Computing kpt #: 153 total cpu time spent up to now is 300.8 secs Computing kpt #: 154 total cpu time spent up to now is 302.3 secs Computing kpt #: 155 total cpu time spent up to now is 303.8 secs Computing kpt #: 156 total cpu time spent up to now is 305.3 secs Computing kpt #: 157 total cpu time spent up to now is 306.8 secs Computing kpt #: 158 total cpu time spent up to now is 308.3 secs Computing kpt #: 159 total cpu time spent up to now is 309.8 secs Computing kpt #: 160 total cpu time spent up to now is 311.3 secs Computing kpt #: 161 total cpu time spent up to now is 312.8 secs Computing kpt #: 162 total cpu time spent up to now is 314.3 secs Computing kpt #: 163 total cpu time spent up to now is 315.8 secs Computing kpt #: 164 total cpu time spent up to now is 317.4 secs Computing kpt #: 165 total cpu time spent up to now is 319.0 secs Computing kpt #: 166 total cpu time spent up to now is 320.8 secs Computing kpt #: 167 total cpu time spent up to now is 322.3 secs Computing kpt #: 168 total cpu time spent up to now is 323.9 secs Computing kpt #: 169 total cpu time spent up to now is 325.4 secs Computing kpt #: 170 total cpu time spent up to now is 326.9 secs Computing kpt #: 171 total cpu time spent up to now is 328.5 secs Computing kpt #: 172 total cpu time spent up to now is 330.1 secs Computing kpt #: 173 total cpu time spent up to now is 331.6 secs Computing kpt #: 174 total cpu time spent up to now is 333.0 secs Computing kpt #: 175 total cpu time spent up to now is 334.7 secs Computing kpt #: 176 total cpu time spent up to now is 336.3 secs Computing kpt #: 177 total cpu time spent up to now is 337.7 secs Computing kpt #: 178 total cpu time spent up to now is 339.2 secs Computing kpt #: 179 total cpu time spent up to now is 340.8 secs Computing kpt #: 180 total cpu time spent up to now is 342.3 secs Computing kpt #: 181 total cpu time spent up to now is 343.8 secs Computing kpt #: 182 total cpu time spent up to now is 345.3 secs Computing kpt #: 183 total cpu time spent up to now is 346.8 secs Computing kpt #: 184 total cpu time spent up to now is 348.2 secs Computing kpt #: 185 total cpu time spent up to now is 349.7 secs Computing kpt #: 186 total cpu time spent up to now is 351.2 secs Computing kpt #: 187 total cpu time spent up to now is 352.7 secs Computing kpt #: 188 total cpu time spent up to now is 354.2 secs Computing kpt #: 189 total cpu time spent up to now is 355.7 secs Computing kpt #: 190 total cpu time spent up to now is 357.2 secs Computing kpt #: 191 total cpu time spent up to now is 358.7 secs Computing kpt #: 192 total cpu time spent up to now is 360.2 secs Computing kpt #: 193 total cpu time spent up to now is 361.7 secs Computing kpt #: 194 total cpu time spent up to now is 363.2 secs Computing kpt #: 195 total cpu time spent up to now is 364.7 secs Computing kpt #: 196 total cpu time spent up to now is 366.2 secs Computing kpt #: 197 total cpu time spent up to now is 367.7 secs Computing kpt #: 198 total cpu time spent up to now is 369.2 secs Computing kpt #: 199 total cpu time spent up to now is 370.7 secs Computing kpt #: 200 total cpu time spent up to now is 372.3 secs Computing kpt #: 201 total cpu time spent up to now is 373.7 secs Computing kpt #: 202 total cpu time spent up to now is 375.3 secs Computing kpt #: 203 total cpu time spent up to now is 376.8 secs Computing kpt #: 204 total cpu time spent up to now is 378.4 secs Computing kpt #: 205 total cpu time spent up to now is 379.8 secs Computing kpt #: 206 total cpu time spent up to now is 381.3 secs Computing kpt #: 207 total cpu time spent up to now is 382.9 secs Computing kpt #: 208 total cpu time spent up to now is 384.5 secs Computing kpt #: 209 total cpu time spent up to now is 386.1 secs Computing kpt #: 210 total cpu time spent up to now is 387.6 secs Computing kpt #: 211 total cpu time spent up to now is 389.2 secs Computing kpt #: 212 total cpu time spent up to now is 390.8 secs Computing kpt #: 213 total cpu time spent up to now is 392.3 secs Computing kpt #: 214 total cpu time spent up to now is 393.9 secs Computing kpt #: 215 total cpu time spent up to now is 395.5 secs Computing kpt #: 216 total cpu time spent up to now is 397.1 secs Computing kpt #: 217 total cpu time spent up to now is 398.6 secs Computing kpt #: 218 total cpu time spent up to now is 400.3 secs Computing kpt #: 219 total cpu time spent up to now is 402.0 secs Computing kpt #: 220 total cpu time spent up to now is 403.7 secs Computing kpt #: 221 total cpu time spent up to now is 405.4 secs Computing kpt #: 222 total cpu time spent up to now is 407.2 secs Computing kpt #: 223 total cpu time spent up to now is 408.9 secs Computing kpt #: 224 total cpu time spent up to now is 410.6 secs Computing kpt #: 225 total cpu time spent up to now is 412.4 secs Computing kpt #: 226 total cpu time spent up to now is 414.2 secs Computing kpt #: 227 total cpu time spent up to now is 415.9 secs Computing kpt #: 228 total cpu time spent up to now is 417.4 secs Computing kpt #: 229 total cpu time spent up to now is 419.2 secs Computing kpt #: 230 total cpu time spent up to now is 420.9 secs Computing kpt #: 231 total cpu time spent up to now is 422.6 secs Computing kpt #: 232 total cpu time spent up to now is 424.6 secs Computing kpt #: 233 total cpu time spent up to now is 426.2 secs Computing kpt #: 234 total cpu time spent up to now is 427.8 secs Computing kpt #: 235 total cpu time spent up to now is 429.4 secs Computing kpt #: 236 total cpu time spent up to now is 431.1 secs Computing kpt #: 237 total cpu time spent up to now is 432.7 secs Computing kpt #: 238 total cpu time spent up to now is 434.3 secs Computing kpt #: 239 total cpu time spent up to now is 435.9 secs Computing kpt #: 240 total cpu time spent up to now is 437.4 secs Computing kpt #: 241 total cpu time spent up to now is 439.0 secs Computing kpt #: 242 total cpu time spent up to now is 440.6 secs Computing kpt #: 243 total cpu time spent up to now is 442.2 secs Computing kpt #: 244 total cpu time spent up to now is 443.8 secs Computing kpt #: 245 total cpu time spent up to now is 445.3 secs Computing kpt #: 246 total cpu time spent up to now is 446.8 secs Computing kpt #: 247 total cpu time spent up to now is 448.4 secs Computing kpt #: 248 total cpu time spent up to now is 450.0 secs Computing kpt #: 249 total cpu time spent up to now is 451.5 secs Computing kpt #: 250 total cpu time spent up to now is 453.0 secs Computing kpt #: 251 total cpu time spent up to now is 454.6 secs Computing kpt #: 252 total cpu time spent up to now is 456.2 secs Computing kpt #: 253 total cpu time spent up to now is 457.8 secs Computing kpt #: 254 total cpu time spent up to now is 459.3 secs Computing kpt #: 255 total cpu time spent up to now is 460.9 secs Computing kpt #: 256 total cpu time spent up to now is 462.4 secs Computing kpt #: 257 total cpu time spent up to now is 464.0 secs Computing kpt #: 258 total cpu time spent up to now is 465.5 secs Computing kpt #: 259 total cpu time spent up to now is 467.1 secs Computing kpt #: 260 total cpu time spent up to now is 468.7 secs Computing kpt #: 261 total cpu time spent up to now is 470.2 secs Computing kpt #: 262 total cpu time spent up to now is 471.7 secs Computing kpt #: 263 total cpu time spent up to now is 473.3 secs Computing kpt #: 264 total cpu time spent up to now is 474.9 secs Computing kpt #: 265 total cpu time spent up to now is 476.4 secs Computing kpt #: 266 total cpu time spent up to now is 478.0 secs Computing kpt #: 267 total cpu time spent up to now is 479.6 secs Computing kpt #: 268 total cpu time spent up to now is 481.1 secs Computing kpt #: 269 total cpu time spent up to now is 482.6 secs Computing kpt #: 270 total cpu time spent up to now is 484.1 secs Computing kpt #: 271 total cpu time spent up to now is 485.6 secs Computing kpt #: 272 total cpu time spent up to now is 487.1 secs Computing kpt #: 273 total cpu time spent up to now is 488.6 secs Computing kpt #: 274 total cpu time spent up to now is 490.2 secs Computing kpt #: 275 total cpu time spent up to now is 492.5 secs Computing kpt #: 276 total cpu time spent up to now is 495.1 secs Computing kpt #: 277 total cpu time spent up to now is 497.4 secs Computing kpt #: 278 total cpu time spent up to now is 499.4 secs Computing kpt #: 279 total cpu time spent up to now is 501.1 secs Computing kpt #: 280 total cpu time spent up to now is 502.9 secs Computing kpt #: 281 total cpu time spent up to now is 504.6 secs Computing kpt #: 282 total cpu time spent up to now is 506.4 secs Computing kpt #: 283 total cpu time spent up to now is 508.2 secs Computing kpt #: 284 total cpu time spent up to now is 510.0 secs Computing kpt #: 285 total cpu time spent up to now is 511.7 secs Computing kpt #: 286 total cpu time spent up to now is 513.5 secs Computing kpt #: 287 total cpu time spent up to now is 515.2 secs Computing kpt #: 288 total cpu time spent up to now is 517.0 secs Computing kpt #: 289 total cpu time spent up to now is 518.7 secs Computing kpt #: 290 total cpu time spent up to now is 520.3 secs Computing kpt #: 291 total cpu time spent up to now is 522.0 secs Computing kpt #: 292 total cpu time spent up to now is 523.7 secs Computing kpt #: 293 total cpu time spent up to now is 525.4 secs Computing kpt #: 294 total cpu time spent up to now is 527.1 secs ethr = 2.38E-11, avg # of iterations = 20.3 total cpu time spent up to now is 527.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4249 PWs) bands (ev): -9.5358 -9.5358 -9.5018 -9.5018 -8.8339 -8.8339 -8.7121 -8.7121 -8.6151 -8.6151 -8.4996 -8.4996 -6.3923 -6.3923 -6.3691 -6.3691 -5.9052 -5.9052 -4.1804 -4.1804 0.3102 0.3102 1.0724 1.0724 1.1043 1.1043 1.1918 1.1918 1.9460 1.9460 2.3865 2.3865 2.4038 2.4038 2.4308 2.4308 4.3996 4.3996 4.9816 4.9816 5.0440 5.0440 5.1460 5.1460 6.0694 6.0694 7.5624 7.5624 8.1729 8.1729 k = 0.0000 0.0000 0.0189 ( 4239 PWs) bands (ev): -9.5360 -9.5357 -9.5021 -9.5016 -8.8348 -8.8334 -8.7155 -8.7075 -8.6155 -8.6147 -8.5031 -8.4948 -6.3938 -6.3928 -6.3705 -6.3693 -5.9060 -5.9052 -4.1796 -4.1794 0.3085 0.3092 1.0621 1.0664 1.0971 1.0995 1.2029 1.2080 1.9425 1.9499 2.3657 2.3773 2.3973 2.4045 2.4470 2.4613 4.3987 4.4003 4.9740 4.9852 5.0394 5.0428 5.1430 5.1550 6.0693 6.0699 7.5665 7.5674 8.1700 8.1725 k = 0.0000 0.0000 0.0379 ( 4239 PWs) bands (ev): -9.5363 -9.5356 -9.5025 -9.5013 -8.8361 -8.8334 -8.7178 -8.7018 -8.6159 -8.6143 -8.5053 -8.4887 -6.3972 -6.3952 -6.3736 -6.3710 -5.9076 -5.9060 -4.1769 -4.1765 0.3040 0.3054 1.0362 1.0416 1.0917 1.0953 1.2301 1.2380 1.9395 1.9539 2.3360 2.3540 2.4021 2.4054 2.4879 2.5005 4.3972 4.4004 4.9625 4.9845 5.0298 5.0379 5.1464 5.1678 6.0700 6.0711 7.5794 7.5814 8.1628 8.1680 k = 0.0000 0.0000 0.0568 ( 4243 PWs) bands (ev): -9.5365 -9.5356 -9.5029 -9.5012 -8.8377 -8.8336 -8.7190 -8.6952 -8.6164 -8.6140 -8.5061 -8.4815 -6.4025 -6.3998 -6.3783 -6.3740 -5.9100 -5.9076 -4.1723 -4.1718 0.2966 0.2987 1.0031 1.0077 1.0908 1.0948 1.2608 1.2707 1.9371 1.9578 2.3098 2.3310 2.4102 2.4130 2.5334 2.5447 4.3937 4.3986 4.9478 4.9786 5.0185 5.0318 5.1544 5.1825 6.0716 6.0734 7.6008 7.6038 8.1494 8.1573 k = 0.0000 0.0000 0.0758 ( 4235 PWs) bands (ev): -9.5369 -9.5356 -9.5033 -9.5011 -8.8396 -8.8341 -8.7191 -8.6879 -8.6170 -8.6137 -8.5053 -8.4730 -6.4099 -6.4065 -6.3843 -6.3781 -5.9133 -5.9101 -4.1661 -4.1655 0.2862 0.2891 0.9683 0.9719 1.0919 1.0964 1.2900 1.3017 1.9354 1.9613 2.2885 2.3120 2.4217 2.4252 2.5822 2.5934 4.3863 4.3930 4.9312 4.9668 5.0090 5.0256 5.1652 5.1982 6.0748 6.0773 7.6297 7.6338 8.1292 8.1391 k = 0.0000 0.0000 0.0947 ( 4235 PWs) bands (ev): -9.5373 -9.5356 -9.5037 -9.5011 -8.8419 -8.8348 -8.7183 -8.6802 -8.6175 -8.6134 -8.5027 -8.4633 -6.4195 -6.4153 -6.3916 -6.3831 -5.9175 -5.9135 -4.1584 -4.1576 0.2727 0.2763 0.9340 0.9367 1.0949 1.0999 1.3156 1.3289 1.9344 1.9640 2.2731 2.2987 2.4369 2.4415 2.6341 2.6463 4.3729 4.3813 4.9149 4.9520 5.0017 5.0198 5.1775 5.2142 6.0803 6.0835 7.6651 7.6702 8.1025 8.1138 k = 0.0000 0.0000 0.1137 ( 4235 PWs) bands (ev): -9.5378 -9.5357 -9.5042 -9.5011 -8.8443 -8.8357 -8.7167 -8.6724 -8.6182 -8.6132 -8.4981 -8.4522 -6.4312 -6.4263 -6.3999 -6.3890 -5.9225 -5.9177 -4.1493 -4.1483 0.2561 0.2604 0.9013 0.9033 1.1001 1.1056 1.3357 1.3506 1.9344 1.9661 2.2649 2.2920 2.4560 2.4620 2.6888 2.7029 4.3515 4.3615 4.9007 4.9377 4.9951 5.0140 5.1902 5.2297 6.0892 6.0931 7.7059 7.7120 8.0701 8.0822 k = 0.0000 0.0000 0.1326 ( 4231 PWs) bands (ev): -9.5383 -9.5358 -9.5046 -9.5012 -8.8468 -8.8366 -8.7144 -8.6648 -8.6188 -8.6130 -8.4912 -8.4398 -6.4450 -6.4393 -6.4089 -6.3957 -5.9285 -5.9230 -4.1390 -4.1379 0.2363 0.2412 0.8709 0.8723 1.1078 1.1137 1.3491 1.3654 1.9359 1.9680 2.2647 2.2927 2.4790 2.4866 2.7462 2.7626 4.3208 4.3324 4.8896 4.9261 4.9883 5.0082 5.2023 5.2440 6.1024 6.1070 7.7506 7.7575 8.0327 8.0451 k = 0.0000 0.0000 0.1516 ( 4235 PWs) bands (ev): -9.5388 -9.5360 -9.5051 -9.5014 -8.8495 -8.8375 -8.7117 -8.6578 -8.6195 -8.6128 -8.4816 -8.4259 -6.4605 -6.4541 -6.4187 -6.4033 -5.9355 -5.9292 -4.1277 -4.1265 0.2134 0.2189 0.8433 0.8442 1.1184 1.1246 1.3549 1.3724 1.9395 1.9705 2.2727 2.3011 2.5057 2.5150 2.8061 2.8248 4.2809 4.2939 4.8820 4.9179 4.9810 5.0022 5.2130 5.2561 6.1212 6.1263 7.7979 7.8050 7.9916 8.0033 k = 0.0000 0.0000 0.1705 ( 4243 PWs) bands (ev): -9.5395 -9.5362 -9.5055 -9.5016 -8.8523 -8.8384 -8.7085 -8.6515 -8.6203 -8.6126 -8.4694 -8.4104 -6.4777 -6.4706 -6.4293 -6.4117 -5.9435 -5.9365 -4.1157 -4.1144 0.1876 0.1936 0.8186 0.8197 1.1320 1.1383 1.3527 1.3713 1.9459 1.9749 2.2886 2.3171 2.5359 2.5470 2.8680 2.8891 4.2327 4.2470 4.8770 4.9125 4.9730 4.9957 5.2212 5.2650 6.1463 6.1518 7.8459 7.8500 7.9495 7.9583 k = 0.0000 0.0000 0.1895 ( 4239 PWs) bands (ev): -9.5401 -9.5365 -9.5059 -9.5018 -8.8550 -8.8393 -8.7050 -8.6462 -8.6210 -8.6125 -8.4543 -8.3935 -6.4963 -6.4885 -6.4404 -6.4210 -5.9526 -5.9449 -4.1032 -4.1018 0.1592 0.1656 0.7975 0.7990 1.1485 1.1547 1.3431 1.3623 1.9557 1.9823 2.3118 2.3401 2.5690 2.5820 2.9315 2.9547 4.1777 4.1935 4.8738 4.9088 4.9645 4.9885 5.2261 5.2698 6.1782 6.1839 7.8671 7.8868 7.9135 7.9348 k = 0.0000 0.0000 0.2084 ( 4239 PWs) bands (ev): -9.5408 -9.5368 -9.5063 -9.5022 -8.8578 -8.8401 -8.7013 -8.6418 -8.6218 -8.6123 -8.4365 -8.3748 -6.5161 -6.5075 -6.4522 -6.4310 -5.9629 -5.9545 -4.0905 -4.0889 0.1284 0.1352 0.7802 0.7822 1.1674 1.1731 1.3272 1.3467 1.9690 1.9931 2.3413 2.3693 2.6045 2.6193 2.9960 3.0213 4.1181 4.1353 4.8712 4.9054 4.9556 4.9805 5.2273 5.2702 6.2167 6.2222 7.8286 7.8496 7.9448 7.9682 k = 0.0000 0.0000 0.2273 ( 4231 PWs) bands (ev): -9.5416 -9.5371 -9.5067 -9.5025 -8.8605 -8.8409 -8.6975 -8.6383 -8.6227 -8.6122 -8.4159 -8.3546 -6.5368 -6.5276 -6.4647 -6.4417 -5.9744 -5.9654 -4.0776 -4.0760 0.0956 0.1028 0.7670 0.7697 1.1875 1.1920 1.3079 1.3269 1.9856 2.0078 2.3762 2.4038 2.6415 2.6583 3.0607 3.0880 4.0559 4.0748 4.8683 4.9010 4.9466 4.9714 5.2249 5.2663 6.2607 6.2660 7.7766 7.7951 7.9872 8.0101 k = 0.0000 0.0000 0.2463 ( 4229 PWs) bands (ev): -9.5424 -9.5375 -9.5070 -9.5029 -8.8632 -8.8417 -8.6937 -8.6357 -8.6235 -8.6121 -8.3929 -8.3326 -6.5583 -6.5485 -6.4776 -6.4531 -5.9871 -5.9775 -4.0650 -4.0633 0.0613 0.0687 0.7583 0.7615 1.2038 1.2072 1.2911 1.3083 2.0054 2.0261 2.4157 2.4429 2.6792 2.6978 3.1251 3.1541 3.9932 4.0142 4.8644 4.8942 4.9379 4.9608 5.2195 5.2586 6.3088 6.3138 7.7216 7.7386 8.0253 8.0484 k = 0.0000 0.0000 0.2652 ( 4237 PWs) bands (ev): -9.5432 -9.5380 -9.5073 -9.5033 -8.8658 -8.8424 -8.6898 -8.6337 -8.6244 -8.6120 -8.3674 -8.3089 -6.5804 -6.5700 -6.4910 -6.4651 -6.0012 -5.9910 -4.0526 -4.0508 0.0259 0.0334 0.7541 0.7579 1.2010 1.2115 1.2889 1.3033 2.0279 2.0478 2.4589 2.4857 2.7164 2.7367 3.1882 3.2188 3.9322 3.9557 4.8588 4.8838 4.9301 4.9487 5.2120 5.2481 6.3587 6.3633 7.6662 7.6818 8.0573 8.0802 k = 0.0000 0.0000 0.2842 ( 4237 PWs) bands (ev): -9.5440 -9.5385 -9.5075 -9.5038 -8.8683 -8.8432 -8.6860 -8.6323 -8.6253 -8.6120 -8.3397 -8.2835 -6.6030 -6.5919 -6.5049 -6.4777 -6.0167 -6.0059 -4.0407 -4.0389 -0.0103 -0.0027 0.7546 0.7590 1.1787 1.1946 1.3061 1.3196 2.0530 2.0726 2.5051 2.5313 2.7518 2.7737 3.2489 3.2808 3.8757 3.9020 4.8511 4.8691 4.9233 4.9353 5.2033 5.2359 6.4077 6.4120 7.6121 7.6263 8.0829 8.1048 k = 0.0000 0.0000 0.3031 ( 4241 PWs) bands (ev): -9.5449 -9.5390 -9.5077 -9.5042 -8.8707 -8.8440 -8.6822 -8.6313 -8.6261 -8.6119 -8.3101 -8.2563 -6.6258 -6.6141 -6.5191 -6.4907 -6.0335 -6.0222 -4.0294 -4.0275 -0.0469 -0.0394 0.7599 0.7649 1.1477 1.1653 1.3342 1.3475 2.0803 2.1002 2.5533 2.5787 2.7842 2.8074 3.3060 3.3386 3.8265 3.8556 4.8401 4.8502 4.9173 4.9216 5.1945 5.2231 6.4529 6.4569 7.5614 7.5741 8.1027 8.1230 k = 0.0000 0.0000 0.3221 ( 4249 PWs) bands (ev): -9.5458 -9.5396 -9.5079 -9.5047 -8.8729 -8.8447 -8.6786 -8.6308 -8.6270 -8.6118 -8.2785 -8.2274 -6.6488 -6.6364 -6.5337 -6.5043 -6.0518 -6.0400 -4.0188 -4.0169 -0.0836 -0.0761 0.7700 0.7755 1.1137 1.1317 1.3672 1.3804 2.1098 2.1302 2.6025 2.6263 2.8129 2.8363 3.3578 3.3901 3.7882 3.8197 4.8239 4.8285 4.9081 4.9130 5.1859 5.2105 6.4907 6.4946 7.5163 7.5273 8.1178 8.1366 k = 0.0000 0.0000 0.3410 ( 4257 PWs) bands (ev): -9.5466 -9.5402 -9.5080 -9.5052 -8.8751 -8.8456 -8.6750 -8.6306 -8.6277 -8.6118 -8.2451 -8.1969 -6.6717 -6.6587 -6.5485 -6.5182 -6.0716 -6.0593 -4.0090 -4.0070 -0.1201 -0.1127 0.7849 0.7910 1.0788 1.0968 1.4025 1.4157 2.1412 2.1624 2.6511 2.6714 2.8382 2.8598 3.4028 3.4327 3.7644 3.7970 4.7995 4.8071 4.8980 4.9091 5.1780 5.1985 6.5178 6.5217 7.4792 7.4884 8.1296 8.1468 k = 0.0000 0.0000 0.3600 ( 4261 PWs) bands (ev): -9.5475 -9.5408 -9.5081 -9.5057 -8.8771 -8.8464 -8.6715 -8.6309 -8.6283 -8.6117 -8.2100 -8.1647 -6.6945 -6.6808 -6.5634 -6.5325 -6.0928 -6.0801 -4.0000 -3.9980 -0.1561 -0.1489 0.8045 0.8112 1.0442 1.0620 1.4393 1.4524 2.1745 2.1966 2.6960 2.7092 2.8632 2.8788 3.4397 3.4650 3.7577 3.7893 4.7714 4.7834 4.8911 4.9067 5.1705 5.1874 6.5311 6.5352 7.4522 7.4597 8.1390 8.1548 k = 0.0000 0.0000 0.3789 ( 4263 PWs) bands (ev): -9.5483 -9.5415 -9.5082 -9.5062 -8.8789 -8.8473 -8.6682 -8.6314 -8.6287 -8.6117 -8.1734 -8.1309 -6.7171 -6.7027 -6.5786 -6.5471 -6.1154 -6.1023 -3.9918 -3.9898 -0.1914 -0.1843 0.8287 0.8359 1.0106 1.0281 1.4766 1.4897 2.2094 2.2324 2.7307 2.7335 2.8939 2.8976 3.4688 3.4882 3.7667 3.7960 4.7426 4.7574 4.8873 4.9061 5.1632 5.1767 6.5288 6.5330 7.4366 7.4427 8.1466 8.1613 k = 0.0000 0.0000 0.3979 ( 4247 PWs) bands (ev): -9.5491 -9.5422 -9.5083 -9.5066 -8.8806 -8.8483 -8.6650 -8.6321 -8.6291 -8.6117 -8.1354 -8.0955 -6.7394 -6.7243 -6.5938 -6.5620 -6.1395 -6.1259 -3.9845 -3.9824 -0.2257 -0.2189 0.8573 0.8648 0.9787 0.9957 1.5139 1.5269 2.2456 2.2696 2.7374 2.7507 2.9239 2.9343 3.4912 3.5064 3.7863 3.8140 4.7151 4.7313 4.8867 4.9076 5.1554 5.1660 6.5107 6.5150 7.4319 7.4372 8.1528 8.1666 k = 0.0000 0.0000 0.4168 ( 4247 PWs) bands (ev): -9.5499 -9.5429 -9.5084 -9.5071 -8.8820 -8.8494 -8.6620 -8.6328 -8.6294 -8.6118 -8.0959 -8.0587 -6.7613 -6.7454 -6.6091 -6.5771 -6.1648 -6.1509 -3.9779 -3.9758 -0.2589 -0.2524 0.8896 0.8964 0.9498 0.9656 1.5505 1.5633 2.2830 2.3079 2.7274 2.7497 2.9615 2.9822 3.5089 3.5236 3.8106 3.8383 4.6907 4.7073 4.8888 4.9114 5.1466 5.1547 6.4785 6.4828 7.4365 7.4416 8.1580 8.1709 k = 0.0000 0.0000 0.4357 ( 4247 PWs) bands (ev): -9.5506 -9.5437 -9.5085 -9.5076 -8.8833 -8.8505 -8.6591 -8.6337 -8.6298 -8.6118 -8.0553 -8.0204 -6.7828 -6.7660 -6.6244 -6.5925 -6.1913 -6.1772 -3.9722 -3.9701 -0.2909 -0.2846 0.9107 0.9198 0.9399 0.9480 1.5859 1.5983 2.3209 2.3466 2.7077 2.7343 3.0071 3.0337 3.5242 3.5405 3.8353 3.8643 4.6715 4.6873 4.8937 4.9177 5.1361 5.1422 6.4351 6.4390 7.4477 7.4531 8.1622 8.1744 k = 0.0000 0.0000 0.4547 ( 4249 PWs) bands (ev): -9.5513 -9.5444 -9.5085 -9.5080 -8.8845 -8.8517 -8.6564 -8.6345 -8.6301 -8.6119 -8.0134 -7.9809 -6.8038 -6.7861 -6.6398 -6.6081 -6.2188 -6.2045 -3.9671 -3.9651 -0.3215 -0.3155 0.8889 0.9050 0.9709 0.9821 1.6194 1.6313 2.3587 2.3851 2.6833 2.7114 3.0557 3.0856 3.5384 3.5565 3.8580 3.8888 4.6591 4.6731 4.9009 4.9265 5.1230 5.1281 6.3839 6.3871 7.4629 7.4687 8.1654 8.1769 k = 0.0000 0.0000 0.4736 ( 4257 PWs) bands (ev): -9.5519 -9.5452 -9.5086 -9.5084 -8.8854 -8.8530 -8.6539 -8.6353 -8.6304 -8.6120 -7.9705 -7.9401 -6.8243 -6.8057 -6.6553 -6.6240 -6.2471 -6.2327 -3.9628 -3.9607 -0.3506 -0.3449 0.8653 0.8812 1.0140 1.0258 1.6505 1.6618 2.3953 2.4220 2.6586 2.6865 3.1040 3.1354 3.5517 3.5706 3.8779 3.9101 4.6547 4.6662 4.9101 4.9377 5.1063 5.1120 6.3280 6.3304 7.4796 7.4858 8.1675 8.1783 k = 0.0000 0.0000 0.4926 ( 4241 PWs) bands (ev): -9.5525 -9.5459 -9.5089 -9.5086 -8.8861 -8.8544 -8.6516 -8.6361 -8.6307 -8.6122 -7.9267 -7.8982 -6.8444 -6.8248 -6.6707 -6.6402 -6.2760 -6.2615 -3.9590 -3.9570 -0.3780 -0.3727 0.8435 0.8590 1.0603 1.0728 1.6784 1.6891 2.4293 2.4551 2.6378 2.6636 3.1496 3.1812 3.5638 3.5820 3.8956 3.9282 4.6585 4.6670 4.9203 4.9508 5.0857 5.0939 6.2703 6.2720 7.4960 7.5024 8.1681 8.1783 k = 0.0000 0.0000 0.5115 ( 4237 PWs) bands (ev): -9.5530 -9.5466 -9.5092 -9.5088 -8.8866 -8.8558 -8.6495 -8.6368 -8.6308 -8.6124 -7.8820 -7.8553 -6.8640 -6.8433 -6.6863 -6.6567 -6.3051 -6.2907 -3.9558 -3.9538 -0.4038 -0.3988 0.8239 0.8389 1.1087 1.1222 1.7030 1.7130 2.4583 2.4810 2.6255 2.6467 3.1903 3.2207 3.5750 3.5905 3.9126 3.9444 4.6701 4.6751 4.9293 4.9644 5.0618 5.0744 6.2130 6.2145 7.5107 7.5172 8.1670 8.1766 k = 0.0000 0.0000 0.5305 ( 4237 PWs) bands (ev): -9.5535 -9.5474 -9.5096 -9.5089 -8.8870 -8.8573 -8.6477 -8.6375 -8.6309 -8.6126 -7.8367 -7.8115 -6.8833 -6.8615 -6.7020 -6.6736 -6.3341 -6.3199 -3.9530 -3.9511 -0.4279 -0.4232 0.8065 0.8209 1.1585 1.1730 1.7239 1.7334 2.4795 2.4960 2.6260 2.6388 3.2248 3.2526 3.5858 3.5965 3.9311 3.9604 4.6877 4.6899 4.9330 4.9740 5.0381 5.0566 6.1581 6.1601 7.5230 7.5295 8.1636 8.1724 k = 0.0000 0.0000 0.5494 ( 4239 PWs) bands (ev): -9.5539 -9.5481 -9.5099 -9.5090 -8.8871 -8.8589 -8.6461 -8.6382 -8.6307 -8.6129 -7.7909 -7.7671 -6.9024 -6.8794 -6.7178 -6.6909 -6.3625 -6.3486 -3.9507 -3.9488 -0.4501 -0.4458 0.7914 0.8052 1.2085 1.2241 1.7415 1.7507 2.4917 2.5013 2.6377 2.6407 3.2520 3.2758 3.5968 3.6017 3.9528 3.9783 4.7077 4.7112 4.9240 4.9643 5.0294 5.0471 6.1074 6.1104 7.5325 7.5390 8.1570 8.1650 k = 0.0000 0.0000 0.5684 ( 4236 PWs) bands (ev): -9.5542 -9.5488 -9.5102 -9.5091 -8.8870 -8.8605 -8.6449 -8.6388 -8.6304 -8.6132 -7.7447 -7.7221 -6.9214 -6.8972 -6.7336 -6.7086 -6.3899 -6.3766 -3.9487 -3.9470 -0.4705 -0.4665 0.7786 0.7916 1.2574 1.2742 1.7566 1.7658 2.4968 2.5031 2.6488 2.6534 3.2715 3.2907 3.6058 3.6110 3.9785 3.9994 4.7282 4.7360 4.8989 4.9308 5.0399 5.0498 6.0623 6.0661 7.5392 7.5454 8.1465 8.1536 k = 0.0000 0.0000 0.5873 ( 4240 PWs) bands (ev): -9.5545 -9.5495 -9.5104 -9.5093 -8.8868 -8.8622 -8.6440 -8.6394 -8.6298 -8.6136 -7.6985 -7.6769 -6.9406 -6.9152 -6.7495 -6.7265 -6.4158 -6.4033 -3.9470 -3.9454 -0.4890 -0.4854 0.7678 0.7800 1.3038 1.3215 1.7708 1.7803 2.4994 2.5052 2.6575 2.6665 3.2843 3.2988 3.6144 3.6256 4.0079 4.0240 4.7450 4.7591 4.8640 4.8894 5.0564 5.0615 6.0235 6.0279 7.5432 7.5492 8.1314 8.1374 k = 0.0000 0.0000 0.6063 ( 4240 PWs) bands (ev): -9.5547 -9.5502 -9.5106 -9.5095 -8.8864 -8.8639 -8.6434 -8.6399 -8.6290 -8.6141 -7.6524 -7.6317 -6.9601 -6.9337 -6.7652 -6.7444 -6.4397 -6.4282 -3.9456 -3.9441 -0.5056 -0.5024 0.7590 0.7702 1.3458 1.3642 1.7862 1.7960 2.5034 2.5084 2.6621 2.6730 3.2917 3.3026 3.6271 3.6436 4.0402 4.0518 4.7438 4.7665 4.8377 4.8568 5.0735 5.0775 5.9910 5.9959 7.5448 7.5505 8.1114 8.1163 k = 0.0000 0.0000 0.6252 ( 4236 PWs) bands (ev): -9.5548 -9.5508 -9.5108 -9.5096 -8.8858 -8.8657 -8.6430 -8.6403 -8.6280 -8.6146 -7.6069 -7.5870 -6.9802 -6.9532 -6.7804 -6.7620 -6.4612 -6.4510 -3.9444 -3.9431 -0.5203 -0.5175 0.7520 0.7622 1.3817 1.4001 1.8052 1.8152 2.5091 2.5131 2.6598 2.6709 3.2956 3.3040 3.6453 3.6656 4.0737 4.0813 4.7091 4.7330 4.8437 4.8535 5.0903 5.0946 5.9648 5.9698 7.5446 7.5498 8.0873 8.0912 k = 0.0000 0.0000 0.6442 ( 4232 PWs) bands (ev): -9.5549 -9.5514 -9.5109 -9.5098 -8.8850 -8.8674 -8.6427 -8.6407 -8.6269 -8.6152 -7.5622 -7.5432 -7.0010 -6.9739 -6.7946 -6.7788 -6.4801 -6.4712 -3.9434 -3.9422 -0.5330 -0.5306 0.7466 0.7557 1.4101 1.4278 1.8294 1.8392 2.5147 2.5201 2.6496 2.6605 3.2975 3.3045 3.6697 3.6921 4.1068 4.1110 4.6545 4.6765 4.8640 4.8683 5.1063 5.1108 5.9443 5.9491 7.5429 7.5476 8.0606 8.0637 k = 0.0000 0.0000 0.6631 ( 4232 PWs) bands (ev): -9.5549 -9.5519 -9.5110 -9.5100 -8.8841 -8.8692 -8.6426 -8.6411 -8.6257 -8.6158 -7.5192 -7.5011 -7.0224 -6.9960 -6.8075 -6.7942 -6.4960 -6.4886 -3.9426 -3.9416 -0.5437 -0.5417 0.7427 0.7505 1.4310 1.4468 1.8590 1.8681 2.5182 2.5288 2.6320 2.6443 3.2983 3.3045 3.6999 3.7230 4.1376 4.1390 4.5940 4.6139 4.8850 4.8871 5.1209 5.1252 5.9287 5.9332 7.5404 7.5445 8.0335 8.0359 k = 0.0000 0.0000 0.6820 ( 4234 PWs) bands (ev): -9.5549 -9.5525 -9.5110 -9.5102 -8.8830 -8.8709 -8.6426 -8.6414 -8.6245 -8.6165 -7.4786 -7.4617 -7.0439 -7.0193 -6.8184 -6.8076 -6.5089 -6.5030 -3.9419 -3.9411 -0.5525 -0.5508 0.7400 0.7464 1.4451 1.4584 1.8923 1.9003 2.5184 2.5367 2.6094 2.6267 3.2985 3.3040 3.7348 3.7572 4.1634 4.1647 4.5338 4.5513 4.9036 4.9050 5.1336 5.1374 5.9174 5.9212 7.5376 7.5410 8.0082 8.0100 k = 0.0000 0.0000 0.7010 ( 4230 PWs) bands (ev): -9.5548 -9.5529 -9.5110 -9.5103 -8.8818 -8.8727 -8.6425 -8.6417 -8.6233 -8.6173 -7.4417 -7.4269 -7.0642 -7.0429 -6.8269 -6.8187 -6.5188 -6.5144 -3.9414 -3.9408 -0.5593 -0.5580 0.7384 0.7433 1.4540 1.4642 1.9261 1.9326 2.5142 2.5389 2.5888 2.6115 3.2985 3.3031 3.7719 3.7919 4.1831 4.1860 4.4788 4.4931 4.9189 4.9201 5.1441 5.1471 5.9096 5.9126 7.5349 7.5375 7.9865 7.9878 k = 0.0000 0.0000 0.7199 ( 4218 PWs) bands (ev): -9.5546 -9.5534 -9.5109 -9.5105 -8.8805 -8.8744 -8.6425 -8.6419 -8.6222 -8.6181 -7.4106 -7.3990 -7.0811 -7.0649 -6.8327 -6.8272 -6.5256 -6.5227 -3.9410 -3.9406 -0.5640 -0.5632 0.7376 0.7409 1.4594 1.4664 1.9560 1.9607 2.5068 2.5286 2.5809 2.6007 3.2985 3.3019 3.8070 3.8227 4.1968 4.2006 4.4343 4.4443 4.9302 4.9312 5.1519 5.1540 5.9046 5.9067 7.5328 7.5346 7.9700 7.9708 k = 0.0000 0.0000 0.7389 ( 4226 PWs) bands (ev): -9.5544 -9.5537 -9.5109 -9.5107 -8.8791 -8.8760 -8.6424 -8.6421 -8.6211 -8.6191 -7.3881 -7.3815 -7.0915 -7.0825 -6.8356 -6.8329 -6.5293 -6.5279 -3.9407 -3.9405 -0.5668 -0.5664 0.7376 0.7392 1.4628 1.4663 1.9772 1.9798 2.5010 2.5126 2.5832 2.5935 3.2988 3.3005 3.8345 3.8433 4.2048 4.2077 4.4057 4.4108 4.9374 4.9379 5.1569 5.1580 5.9020 5.9031 7.5316 7.5325 7.9597 7.9601 k = 0.0000 0.0000 0.7578 ( 4220 PWs) bands (ev): -9.5541 -9.5541 -9.5108 -9.5108 -8.8776 -8.8776 -8.6423 -8.6423 -8.6200 -8.6200 -7.3776 -7.3776 -7.0922 -7.0922 -6.8357 -6.8357 -6.5301 -6.5301 -3.9405 -3.9405 -0.5676 -0.5676 0.7381 0.7381 1.4650 1.4650 1.9858 1.9858 2.5022 2.5022 2.5880 2.5880 3.2995 3.2995 3.8479 3.8479 4.2084 4.2084 4.3974 4.3974 4.9400 4.9400 5.1589 5.1589 5.9016 5.9016 7.5314 7.5314 7.9564 7.9564 k = 0.0000 0.0000 0.7578 ( 4220 PWs) bands (ev): -9.5541 -9.5541 -9.5108 -9.5108 -8.8776 -8.8776 -8.6423 -8.6423 -8.6200 -8.6200 -7.3776 -7.3776 -7.0922 -7.0922 -6.8357 -6.8357 -6.5301 -6.5301 -3.9405 -3.9405 -0.5676 -0.5676 0.7381 0.7381 1.4650 1.4650 1.9858 1.9858 2.5022 2.5022 2.5880 2.5880 3.2995 3.2995 3.8479 3.8479 4.2084 4.2084 4.3974 4.3974 4.9400 4.9400 5.1589 5.1589 5.9016 5.9016 7.5314 7.5314 7.9564 7.9564 k =-0.0120 0.0137 0.7578 ( 4226 PWs) bands (ev): -9.5548 -9.5533 -9.5110 -9.5105 -8.8789 -8.8762 -8.6424 -8.6422 -8.6207 -8.6194 -7.3782 -7.3764 -7.0924 -7.0915 -6.8383 -6.8343 -6.5318 -6.5294 -3.9399 -3.9396 -0.5665 -0.5664 0.7380 0.7387 1.4631 1.4654 1.9848 1.9857 2.4997 2.5047 2.5843 2.5902 3.2967 3.3025 3.8467 3.8483 4.2057 4.2095 4.3963 4.3997 4.9381 4.9385 5.1546 5.1602 5.9063 5.9083 7.5321 7.5328 7.9575 7.9580 k =-0.0241 0.0274 0.7578 ( 4234 PWs) bands (ev): -9.5556 -9.5526 -9.5112 -9.5102 -8.8802 -8.8747 -8.6426 -8.6421 -8.6213 -8.6188 -7.3784 -7.3747 -7.0923 -7.0905 -6.8419 -6.8340 -6.5345 -6.5297 -3.9376 -3.9371 -0.5631 -0.5630 0.7383 0.7397 1.4597 1.4643 1.9825 1.9843 2.4969 2.5069 2.5793 2.5912 3.2942 3.3057 3.8448 3.8479 4.2015 4.2091 4.3963 4.4031 4.9329 4.9337 5.1478 5.1588 5.9221 5.9260 7.5346 7.5360 7.9613 7.9623 k =-0.0361 0.0412 0.7578 ( 4234 PWs) bands (ev): -9.5564 -9.5519 -9.5113 -9.5098 -8.8815 -8.8732 -8.6428 -8.6420 -8.6219 -8.6182 -7.3780 -7.3724 -7.0919 -7.0892 -6.8465 -6.8348 -6.5380 -6.5310 -3.9338 -3.9330 -0.5576 -0.5573 0.7391 0.7412 1.4548 1.4617 1.9792 1.9819 2.4935 2.5083 2.5738 2.5912 3.2922 3.3091 3.8422 3.8468 4.1957 4.2071 4.3970 4.4072 4.9243 4.9256 5.1400 5.1558 5.9481 5.9536 7.5389 7.5411 7.9675 7.9688 k =-0.0482 0.0549 0.7578 ( 4230 PWs) bands (ev): -9.5571 -9.5512 -9.5113 -9.5094 -8.8827 -8.8716 -8.6430 -8.6420 -8.6224 -8.6175 -7.3773 -7.3698 -7.0910 -7.0875 -6.8519 -6.8367 -6.5424 -6.5332 -3.9285 -3.9275 -0.5499 -0.5496 0.7404 0.7432 1.4486 1.4577 1.9750 1.9785 2.4893 2.5081 2.5689 2.5910 3.2905 3.3127 3.8389 3.8448 4.1883 4.2036 4.3976 4.4111 4.9122 4.9143 5.1329 5.1529 5.9829 5.9897 7.5448 7.5477 7.9752 7.9770 k =-0.0602 0.0686 0.7578 ( 4226 PWs) bands (ev): -9.5579 -9.5505 -9.5113 -9.5089 -8.8838 -8.8700 -8.6433 -8.6420 -8.6229 -8.6169 -7.3762 -7.3667 -7.0899 -7.0856 -6.8580 -6.8396 -6.5476 -6.5363 -3.9220 -3.9208 -0.5402 -0.5398 0.7425 0.7459 1.4411 1.4524 1.9699 1.9743 2.4837 2.5048 2.5662 2.5913 3.2894 3.3164 3.8349 3.8421 4.1794 4.1985 4.3974 4.4141 4.8969 4.8999 5.1282 5.1517 6.0250 6.0328 7.5520 7.5557 7.9830 7.9853 k =-0.0723 0.0823 0.7578 ( 4220 PWs) bands (ev): -9.5586 -9.5498 -9.5113 -9.5083 -8.8849 -8.8683 -8.6436 -8.6420 -8.6234 -8.6163 -7.3749 -7.3634 -7.0884 -7.0834 -6.8645 -6.8434 -6.5533 -6.5401 -3.9145 -3.9130 -0.5286 -0.5282 0.7453 0.7492 1.4324 1.4458 1.9643 1.9695 2.4766 2.4978 2.5669 2.5926 3.2889 3.3203 3.8303 3.8385 4.1690 4.1919 4.3953 4.4150 4.8789 4.8830 5.1272 5.1534 6.0730 6.0814 7.5602 7.5646 7.9876 7.9904 k =-0.0843 0.0960 0.7578 ( 4224 PWs) bands (ev): -9.5594 -9.5492 -9.5112 -9.5077 -8.8860 -8.8666 -8.6438 -8.6420 -8.6239 -8.6157 -7.3736 -7.3599 -7.0867 -7.0811 -6.8713 -6.8478 -6.5596 -6.5447 -3.9062 -3.9044 -0.5154 -0.5149 0.7491 0.7535 1.4229 1.4382 1.9582 1.9642 2.4679 2.4876 2.5709 2.5952 3.2891 3.3244 3.8250 3.8341 4.1572 4.1838 4.3907 4.4130 4.8590 4.8641 5.1306 5.1588 6.1255 6.1345 7.5690 7.5741 7.9827 7.9859 k =-0.0964 0.1098 0.7578 ( 4228 PWs) bands (ev): -9.5602 -9.5486 -9.5110 -9.5071 -8.8870 -8.8648 -8.6441 -8.6420 -8.6243 -8.6152 -7.3723 -7.3565 -7.0848 -7.0786 -6.8780 -6.8526 -6.5662 -6.5498 -3.8973 -3.8953 -0.5008 -0.5002 0.7539 0.7586 1.4127 1.4299 1.9519 1.9586 2.4579 2.4752 2.5772 2.5995 3.2900 3.3288 3.8190 3.8288 4.1440 4.1743 4.3829 4.4074 4.8377 4.8438 5.1385 5.1681 6.1814 6.1907 7.5781 7.5839 7.9602 7.9634 k =-0.1084 0.1235 0.7578 ( 4228 PWs) bands (ev): -9.5609 -9.5480 -9.5108 -9.5064 -8.8880 -8.8630 -8.6444 -8.6421 -8.6247 -8.6147 -7.3714 -7.3533 -7.0827 -7.0760 -6.8844 -6.8577 -6.5731 -6.5553 -3.8881 -3.8860 -0.4849 -0.4842 0.7598 0.7648 1.4023 1.4213 1.9455 1.9529 2.4470 2.4618 2.5853 2.6051 3.2917 3.3335 3.8123 3.8227 4.1296 4.1634 4.3718 4.3980 4.8159 4.8227 5.1507 5.1813 6.2397 6.2493 7.5872 7.5937 7.9183 7.9213 k =-0.1205 0.1372 0.7578 ( 4234 PWs) bands (ev): -9.5616 -9.5475 -9.5105 -9.5057 -8.8889 -8.8612 -8.6448 -8.6421 -8.6250 -8.6143 -7.3709 -7.3505 -7.0805 -7.0734 -6.8901 -6.8627 -6.5801 -6.5611 -3.8790 -3.8767 -0.4681 -0.4673 0.7669 0.7720 1.3921 1.4127 1.9392 1.9472 2.4358 2.4483 2.5946 2.6121 3.2943 3.3386 3.8049 3.8156 4.1140 4.1511 4.3575 4.3851 4.7937 4.8009 5.1665 5.1978 6.2994 6.3092 7.5957 7.6029 7.8625 7.8655 k =-0.1325 0.1509 0.7578 ( 4234 PWs) bands (ev): -9.5624 -9.5470 -9.5102 -9.5049 -8.8898 -8.8594 -8.6451 -8.6422 -8.6253 -8.6138 -7.3711 -7.3484 -7.0783 -7.0708 -6.8949 -6.8674 -6.5870 -6.5670 -3.8703 -3.8677 -0.4505 -0.4496 0.7751 0.7802 1.3826 1.4048 1.9330 1.9416 2.4246 2.4351 2.6049 2.6202 3.2977 3.3441 3.7966 3.8076 4.0973 4.1375 4.3406 4.3691 4.7714 4.7788 5.1850 5.2166 6.3595 6.3696 7.6035 7.6113 7.7988 7.8019 k =-0.1445 0.1646 0.7578 ( 4234 PWs) bands (ev): -9.5631 -9.5466 -9.5098 -9.5041 -8.8906 -8.8576 -8.6454 -8.6422 -8.6256 -8.6135 -7.3723 -7.3471 -7.0761 -7.0683 -6.8984 -6.8713 -6.5936 -6.5728 -3.8622 -3.8595 -0.4325 -0.4315 0.7843 0.7893 1.3747 1.3982 1.9271 1.9361 2.4141 2.4228 2.6159 2.6292 3.3021 3.3501 3.7874 3.7985 4.0797 4.1225 4.3219 4.3509 4.7490 4.7564 5.2053 5.2369 6.4193 6.4295 7.6101 7.6186 7.7309 7.7342 k =-0.1566 0.1783 0.7578 ( 4232 PWs) bands (ev): -9.5637 -9.5463 -9.5094 -9.5032 -8.8913 -8.8558 -8.6456 -8.6423 -8.6258 -8.6132 -7.3745 -7.3470 -7.0740 -7.0661 -6.9004 -6.8743 -6.5999 -6.5784 -3.8551 -3.8522 -0.4142 -0.4131 0.7945 0.7992 1.3690 1.3938 1.9216 1.9310 2.4045 2.4117 2.6274 2.6390 3.3073 3.3565 3.7771 3.7884 4.0612 4.1061 4.3020 4.3313 4.7264 4.7336 5.2260 5.2575 6.4777 6.4881 7.6147 7.6244 7.6615 7.6654 k =-0.1686 0.1921 0.7578 ( 4228 PWs) bands (ev): -9.5644 -9.5460 -9.5089 -9.5023 -8.8920 -8.8540 -8.6459 -8.6424 -8.6260 -8.6129 -7.3780 -7.3482 -7.0722 -7.0642 -6.9007 -6.8758 -6.6056 -6.5835 -3.8493 -3.8462 -0.3959 -0.3948 0.8052 0.8096 1.3665 1.3924 1.9164 1.9261 2.3962 2.4021 2.6394 2.6494 3.3132 3.3633 3.7657 3.7770 4.0422 4.0886 4.2820 4.3111 4.7037 4.7105 5.2461 5.2772 6.5334 6.5441 7.5906 7.5936 7.6225 7.6292 k =-0.1807 0.2058 0.7578 ( 4232 PWs) bands (ev): -9.5650 -9.5458 -9.5084 -9.5014 -8.8926 -8.8523 -8.6461 -8.6424 -8.6262 -8.6127 -7.3829 -7.3509 -7.0707 -7.0629 -6.8990 -6.8757 -6.6106 -6.5881 -3.8450 -3.8418 -0.3780 -0.3767 0.8163 0.8202 1.3681 1.3948 1.9115 1.9215 2.3895 2.3943 2.6517 2.6603 3.3199 3.3704 3.7528 3.7645 4.0228 4.0700 4.2624 4.2912 4.6807 4.6872 5.2641 5.2948 6.5852 6.5962 7.5248 7.5276 7.6230 7.6313 k =-0.1927 0.2195 0.7578 ( 4220 PWs) bands (ev): -9.5656 -9.5456 -9.5078 -9.5004 -8.8932 -8.8506 -8.6463 -8.6424 -8.6263 -8.6126 -7.3891 -7.3552 -7.0698 -7.0621 -6.8951 -6.8735 -6.6148 -6.5920 -3.8424 -3.8391 -0.3606 -0.3592 0.8274 0.8308 1.3746 1.4021 1.9071 1.9173 2.3845 2.3883 2.6642 2.6716 3.3271 3.3778 3.7382 3.7506 4.0035 4.0508 4.2439 4.2720 4.6574 4.6636 5.2790 5.3092 6.6315 6.6429 7.4624 7.4653 7.6228 7.6315 k =-0.1927 0.2195 0.7578 ( 4220 PWs) bands (ev): -9.5656 -9.5456 -9.5078 -9.5004 -8.8932 -8.8506 -8.6463 -8.6424 -8.6263 -8.6126 -7.3891 -7.3552 -7.0698 -7.0621 -6.8951 -6.8735 -6.6148 -6.5920 -3.8424 -3.8391 -0.3606 -0.3592 0.8274 0.8308 1.3746 1.4021 1.9071 1.9173 2.3845 2.3883 2.6642 2.6716 3.3271 3.3778 3.7382 3.7506 4.0035 4.0508 4.2439 4.2720 4.6574 4.6636 5.2790 5.3092 6.6315 6.6429 7.4624 7.4653 7.6228 7.6315 k =-0.2013 0.2292 0.7449 ( 4224 PWs) bands (ev): -9.5660 -9.5455 -9.5074 -9.4997 -8.8936 -8.8494 -8.6463 -8.6424 -8.6266 -8.6125 -7.3932 -7.3571 -7.0788 -7.0686 -6.8858 -6.8673 -6.6151 -6.5915 -3.8423 -3.8390 -0.3439 -0.3426 0.8246 0.8273 1.3866 1.4152 1.8996 1.9098 2.3885 2.3916 2.6777 2.6841 3.3124 3.3605 3.7661 3.7767 3.9837 4.0377 4.1938 4.2233 4.6608 4.6665 5.2851 5.3143 6.6600 6.6715 7.4209 7.4249 7.6253 7.6337 k =-0.2098 0.2389 0.7320 ( 4217 PWs) bands (ev): -9.5664 -9.5454 -9.5070 -9.4991 -8.8939 -8.8482 -8.6462 -8.6424 -8.6269 -8.6125 -7.3994 -7.3617 -7.0881 -7.0756 -6.8769 -6.8604 -6.6116 -6.5870 -3.8431 -3.8398 -0.3270 -0.3257 0.8221 0.8243 1.4026 1.4318 1.8859 1.8961 2.3921 2.3945 2.6943 2.7006 3.2947 3.3399 3.7901 3.7993 3.9679 4.0284 4.1454 4.1773 4.6667 4.6721 5.2883 5.3166 6.6838 6.6956 7.3830 7.3880 7.6265 7.6344 k =-0.2183 0.2487 0.7190 ( 4217 PWs) bands (ev): -9.5667 -9.5454 -9.5065 -9.4984 -8.8942 -8.8470 -8.6461 -8.6424 -8.6273 -8.6124 -7.4071 -7.3684 -7.0974 -7.0833 -6.8697 -6.8538 -6.6041 -6.5785 -3.8447 -3.8414 -0.3101 -0.3089 0.8203 0.8222 1.4223 1.4518 1.8670 1.8773 2.3946 2.3967 2.7132 2.7206 3.2735 3.3152 3.8091 3.8159 3.9591 4.0232 4.1011 4.1355 4.6747 4.6798 5.2888 5.3160 6.7021 6.7143 7.3494 7.3556 7.6264 7.6336 k =-0.2269 0.2584 0.7061 ( 4212 PWs) bands (ev): -9.5670 -9.5454 -9.5061 -9.4977 -8.8945 -8.8459 -8.6460 -8.6423 -8.6277 -8.6124 -7.4157 -7.3765 -7.1064 -7.0913 -6.8649 -6.8484 -6.5926 -6.5662 -3.8471 -3.8438 -0.2936 -0.2925 0.8198 0.8215 1.4452 1.4747 1.8442 1.8544 2.3958 2.3980 2.7335 2.7428 3.2483 3.2862 3.8215 3.8250 3.9589 4.0175 4.0675 4.1003 4.6843 4.6890 5.2865 5.3127 6.7144 6.7272 7.3209 7.3280 7.6253 7.6315 k =-0.2354 0.2681 0.6931 ( 4212 PWs) bands (ev): -9.5672 -9.5454 -9.5056 -9.4971 -8.8947 -8.8448 -8.6459 -8.6421 -8.6281 -8.6124 -7.4249 -7.3857 -7.1149 -7.0993 -6.8624 -6.8448 -6.5776 -6.5506 -3.8502 -3.8470 -0.2776 -0.2766 0.8211 0.8227 1.4707 1.4998 1.8187 1.8288 2.3955 2.3982 2.7542 2.7658 3.2190 3.2528 3.8215 3.8333 3.9650 3.9984 4.0583 4.0749 4.6948 4.6991 5.2816 5.3067 6.7207 6.7341 7.2976 7.3055 7.6233 7.6284 k =-0.2439 0.2778 0.6802 ( 4211 PWs) bands (ev): -9.5674 -9.5454 -9.5052 -9.4965 -8.8948 -8.8438 -8.6459 -8.6418 -8.6286 -8.6124 -7.4342 -7.3955 -7.1227 -7.1071 -6.8619 -6.8430 -6.5597 -6.5326 -3.8539 -3.8507 -0.2626 -0.2617 0.8245 0.8262 1.4977 1.5259 1.7923 1.8020 2.3941 2.3972 2.7739 2.7877 3.1857 3.2151 3.8151 3.8385 3.9695 3.9748 4.0613 4.0682 4.7058 4.7097 5.2742 5.2982 6.7213 6.7353 7.2792 7.2879 7.6207 7.6246 k =-0.2525 0.2876 0.6673 ( 4225 PWs) bands (ev): -9.5675 -9.5455 -9.5047 -9.4959 -8.8950 -8.8428 -8.6458 -8.6415 -8.6291 -8.6124 -7.4434 -7.4056 -7.1298 -7.1146 -6.8630 -6.8429 -6.5400 -6.5130 -3.8581 -3.8549 -0.2487 -0.2479 0.8307 0.8324 1.5243 1.5508 1.7675 1.7761 2.3918 2.3953 2.7912 2.8070 3.1489 3.1741 3.8065 3.8403 3.9522 3.9747 4.0635 4.0824 4.7170 4.7203 5.2645 5.2875 6.7171 6.7316 7.2651 7.2744 7.6178 7.6206 k =-0.2610 0.2973 0.6543 ( 4230 PWs) bands (ev): -9.5676 -9.5455 -9.5043 -9.4953 -8.8951 -8.8419 -8.6458 -8.6410 -8.6296 -8.6125 -7.4524 -7.4157 -7.1362 -7.1216 -6.8652 -6.8440 -6.5194 -6.4926 -3.8626 -3.8595 -0.2362 -0.2356 0.8398 0.8417 1.5472 1.5702 1.7492 1.7550 2.3888 2.3925 2.8040 2.8215 3.1103 3.1312 3.7985 3.8395 3.9409 3.9751 4.0748 4.0990 4.7278 4.7306 5.2527 5.2748 6.7092 6.7241 7.2544 7.2642 7.6144 7.6170 k =-0.2695 0.3070 0.6414 ( 4231 PWs) bands (ev): -9.5677 -9.5456 -9.5038 -9.4948 -8.8951 -8.8411 -8.6458 -8.6405 -8.6302 -8.6126 -7.4610 -7.4257 -7.1417 -7.1279 -6.8681 -6.8459 -6.4986 -6.4722 -3.8673 -3.8643 -0.2254 -0.2248 0.8521 0.8542 1.5603 1.5768 1.7443 1.7449 2.3853 2.3892 2.8098 2.8283 3.0725 3.0892 3.7931 3.8380 3.9373 3.9764 4.0901 4.1162 4.7380 4.7403 5.2394 5.2607 6.6990 6.7142 7.2458 7.2563 7.6109 7.6144 k =-0.2781 0.3167 0.6285 ( 4235 PWs) bands (ev): -9.5678 -9.5457 -9.5034 -9.4944 -8.8952 -8.8403 -8.6458 -8.6399 -8.6308 -8.6127 -7.4690 -7.4352 -7.1463 -7.1336 -6.8715 -6.8482 -6.4784 -6.4524 -3.8720 -3.8691 -0.2163 -0.2158 0.8679 0.8702 1.5574 1.5663 1.7514 1.7581 2.3816 2.3855 2.8051 2.8234 3.0400 3.0521 3.7914 3.8382 3.9388 3.9794 4.1065 4.1329 4.7469 4.7491 5.2250 5.2456 6.6878 6.7032 7.2385 7.2497 7.6075 7.6125 k =-0.2866 0.3264 0.6155 ( 4232 PWs) bands (ev): -9.5678 -9.5458 -9.5030 -9.4940 -8.8952 -8.8397 -8.6459 -8.6392 -8.6314 -8.6128 -7.4763 -7.4442 -7.1500 -7.1384 -6.8751 -6.8508 -6.4594 -6.4339 -3.8766 -3.8737 -0.2092 -0.2087 0.8872 0.8897 1.5391 1.5430 1.7743 1.7856 2.3778 2.3816 2.7861 2.8029 3.0176 3.0246 3.7940 3.8416 3.9429 3.9835 4.1225 4.1487 4.7539 4.7569 5.2100 5.2302 6.6766 6.6921 7.2319 7.2438 7.6045 7.6112 k =-0.2951 0.3362 0.6026 ( 4236 PWs) bands (ev): -9.5679 -9.5459 -9.5027 -9.4936 -8.8952 -8.8391 -8.6460 -8.6385 -8.6320 -8.6129 -7.4829 -7.4524 -7.1528 -7.1425 -6.8786 -6.8534 -6.4422 -6.4172 -3.8809 -3.8781 -0.2041 -0.2034 0.9099 0.9127 1.5106 1.5137 1.8075 1.8210 2.3741 2.3776 2.7521 2.7670 3.0065 3.0088 3.8005 3.8487 3.9476 3.9878 4.1378 4.1636 4.7588 4.7632 5.1952 5.2151 6.6663 6.6819 7.2256 7.2381 7.6020 7.6103 k =-0.3037 0.3459 0.5896 ( 4236 PWs) bands (ev): -9.5679 -9.5460 -9.5024 -9.4933 -8.8952 -8.8386 -8.6461 -8.6377 -8.6326 -8.6130 -7.4888 -7.4599 -7.1547 -7.1456 -6.8820 -6.8558 -6.4271 -6.4025 -3.8847 -3.8820 -0.2009 -0.2001 0.9359 0.9390 1.4771 1.4813 1.8459 1.8602 2.3704 2.3735 2.7065 2.7202 3.0026 3.0043 3.8104 3.8590 3.9513 3.9911 4.1525 4.1776 4.7611 4.7674 5.1814 5.2014 6.6576 6.6731 7.2195 7.2325 7.5999 7.6096 k =-0.3122 0.3556 0.5767 ( 4237 PWs) bands (ev): -9.5679 -9.5460 -9.5021 -9.4930 -8.8952 -8.8382 -8.6462 -8.6369 -8.6332 -8.6131 -7.4938 -7.4665 -7.1558 -7.1478 -6.8851 -6.8579 -6.4144 -6.3903 -3.8879 -3.8852 -0.1996 -0.1986 0.9648 0.9683 1.4421 1.4472 1.8866 1.9008 2.3668 2.3694 2.6544 2.6676 3.0033 3.0071 3.8227 3.8714 3.9531 3.9926 4.1667 4.1908 4.7606 4.7692 5.1694 5.1896 6.6508 6.6663 7.2138 7.2272 7.5980 7.6089 k =-0.3208 0.3653 0.5638 ( 4241 PWs) bands (ev): -9.5679 -9.5461 -9.5019 -9.4928 -8.8951 -8.8379 -8.6463 -8.6360 -8.6339 -8.6132 -7.4979 -7.4720 -7.1560 -7.1489 -6.8878 -6.8596 -6.4044 -6.3808 -3.8905 -3.8878 -0.2001 -0.1989 0.9964 1.0003 1.4067 1.4127 1.9271 1.9407 2.3630 2.3651 2.6005 2.6138 3.0083 3.0134 3.8362 3.8847 3.9523 3.9916 4.1809 4.2037 4.7570 4.7680 5.1600 5.1807 6.6461 6.6615 7.2088 7.2224 7.5959 7.6079 k =-0.3293 0.3750 0.5508 ( 4237 PWs) bands (ev): -9.5679 -9.5462 -9.5017 -9.4927 -8.8951 -8.8377 -8.6464 -8.6352 -8.6345 -8.6133 -7.5011 -7.4765 -7.1556 -7.1489 -6.8901 -6.8608 -6.3974 -6.3742 -3.8922 -3.8895 -0.2022 -0.2008 1.0299 1.0343 1.3720 1.3786 1.9652 1.9778 2.3585 2.3605 2.5492 2.5626 3.0162 3.0220 3.8495 3.8969 3.9489 3.9879 4.1952 4.2165 4.7502 4.7637 5.1539 5.1753 6.6437 6.6590 7.2047 7.2184 7.5936 7.6065 k =-0.3378 0.3848 0.5379 ( 4237 PWs) bands (ev): -9.5679 -9.5462 -9.5016 -9.4926 -8.8951 -8.8375 -8.6465 -8.6352 -8.6343 -8.6133 -7.5035 -7.4798 -7.1545 -7.1477 -6.8920 -6.8617 -6.3935 -6.3707 -3.8930 -3.8902 -0.2058 -0.2041 1.0645 1.0696 1.3389 1.3461 1.9981 2.0093 2.3522 2.3553 2.5049 2.5187 3.0265 3.0327 3.8610 3.9050 3.9448 3.9820 4.2098 4.2294 4.7402 4.7560 5.1515 5.1735 6.6434 6.6585 7.2018 7.2155 7.5909 7.6045 k =-0.3464 0.3945 0.5250 ( 4235 PWs) bands (ev): -9.5679 -9.5462 -9.5015 -9.4926 -8.8951 -8.8375 -8.6466 -8.6359 -8.6335 -8.6134 -7.5049 -7.4819 -7.1528 -7.1452 -6.8934 -6.8620 -6.3927 -6.3702 -3.8929 -3.8901 -0.2106 -0.2088 1.0987 1.1047 1.3085 1.3164 2.0218 2.0311 2.3440 2.3489 2.4727 2.4871 3.0389 3.0452 3.8686 3.9045 3.9434 3.9756 4.2247 4.2426 4.7273 4.7452 5.1529 5.1757 6.6451 6.6600 7.2004 7.2139 7.5877 7.6018 k =-0.3464 0.3945 0.5250 ( 4235 PWs) bands (ev): -9.5679 -9.5462 -9.5015 -9.4926 -8.8951 -8.8375 -8.6466 -8.6359 -8.6335 -8.6134 -7.5049 -7.4819 -7.1528 -7.1452 -6.8934 -6.8620 -6.3927 -6.3702 -3.8929 -3.8901 -0.2106 -0.2088 1.0987 1.1047 1.3085 1.3164 2.0218 2.0311 2.3440 2.3489 2.4727 2.4871 3.0389 3.0452 3.8686 3.9045 3.9434 3.9756 4.2247 4.2426 4.7273 4.7452 5.1529 5.1757 6.6451 6.6600 7.2004 7.2139 7.5877 7.6018 k =-0.3375 0.3844 0.5115 ( 4239 PWs) bands (ev): -9.5675 -9.5456 -9.5022 -9.4934 -8.8954 -8.8374 -8.6469 -8.6362 -8.6337 -8.6130 -7.5082 -7.4902 -7.1589 -7.1507 -6.8943 -6.8617 -6.3779 -6.3549 -3.8769 -3.8742 -0.1992 -0.1972 1.0616 1.0675 1.2930 1.3010 1.9775 1.9868 2.3183 2.3241 2.4432 2.4572 3.0268 3.0343 3.8654 3.9038 3.9570 3.9900 4.2672 4.2861 4.7765 4.7917 5.2007 5.2224 6.6663 6.6813 7.1965 7.2110 7.5865 7.6009 k =-0.3286 0.3743 0.4980 ( 4245 PWs) bands (ev): -9.5670 -9.5450 -9.5028 -9.4943 -8.8955 -8.8374 -8.6471 -8.6367 -8.6337 -8.6126 -7.5182 -7.5049 -7.1634 -7.1518 -6.8900 -6.8570 -6.3626 -6.3391 -3.8626 -3.8600 -0.1892 -0.1870 1.0273 1.0329 1.2797 1.2876 1.9349 1.9444 2.2907 2.2972 2.4178 2.4311 3.0118 3.0208 3.8630 3.9026 3.9721 4.0043 4.3062 4.3263 4.8218 4.8343 5.2495 5.2697 6.6868 6.7019 7.1926 7.2081 7.5797 7.5944 k =-0.3197 0.3641 0.4846 ( 4237 PWs) bands (ev): -9.5664 -9.5444 -9.5034 -9.4951 -8.8955 -8.8376 -8.6472 -8.6372 -8.6336 -8.6123 -7.5364 -7.5251 -7.1641 -7.1475 -6.8817 -6.8489 -6.3468 -6.3229 -3.8501 -3.8477 -0.1808 -0.1784 0.9958 1.0011 1.2678 1.2757 1.8943 1.9041 2.2608 2.2679 2.3977 2.4101 2.9942 3.0047 3.8613 3.9016 3.9893 4.0200 4.3391 4.3605 4.8624 4.8722 5.2995 5.3179 6.7070 6.7219 7.1891 7.2053 7.5679 7.5827 k =-0.3108 0.3540 0.4711 ( 4233 PWs) bands (ev): -9.5657 -9.5439 -9.5040 -9.4960 -8.8952 -8.8379 -8.6474 -8.6377 -8.6334 -8.6120 -7.5630 -7.5498 -7.1598 -7.1382 -6.8704 -6.8379 -6.3306 -6.3064 -3.8396 -3.8373 -0.1736 -0.1711 0.9671 0.9722 1.2569 1.2645 1.8561 1.8661 2.2284 2.2362 2.3840 2.3953 2.9744 2.9864 3.8604 3.9012 4.0087 4.0376 4.3641 4.3870 4.8976 4.9050 5.3505 5.3668 6.7272 6.7417 7.1860 7.2029 7.5517 7.5665 k =-0.3020 0.3439 0.4577 ( 4233 PWs) bands (ev): -9.5649 -9.5434 -9.5045 -9.4969 -8.8948 -8.8382 -8.6477 -8.6381 -8.6332 -8.6118 -7.5959 -7.5791 -7.1504 -7.1245 -6.8568 -6.8249 -6.3140 -6.2896 -3.8312 -3.8289 -0.1677 -0.1650 0.9414 0.9463 1.2460 1.2534 1.8203 1.8307 2.1940 2.2026 2.3769 2.3872 2.9526 2.9663 3.8598 3.9011 4.0304 4.0574 4.3800 4.4046 4.9269 4.9328 5.4020 5.4161 6.7476 6.7617 7.1837 7.2011 7.5318 7.5467 k =-0.2931 0.3338 0.4442 ( 4231 PWs) bands (ev): -9.5641 -9.5430 -9.5049 -9.4978 -8.8943 -8.8387 -8.6482 -8.6384 -8.6329 -8.6116 -7.6331 -7.6125 -7.1364 -7.1073 -6.8414 -6.8103 -6.2971 -6.2726 -3.8248 -3.8226 -0.1627 -0.1598 0.9186 0.9233 1.2347 1.2416 1.7872 1.7979 2.1582 2.1678 2.3762 2.3859 2.9295 2.9450 3.8594 3.9012 4.0540 4.0791 4.3866 4.4127 4.9502 4.9557 5.4533 5.4652 6.7684 6.7818 7.1826 7.2003 7.5093 7.5241 k =-0.2842 0.3237 0.4307 ( 4239 PWs) bands (ev): -9.5632 -9.5426 -9.5053 -9.4987 -8.8935 -8.8392 -8.6488 -8.6386 -8.6326 -8.6115 -7.6732 -7.6492 -7.1186 -7.0871 -6.8247 -6.7943 -6.2799 -6.2554 -3.8205 -3.8185 -0.1583 -0.1553 0.8987 0.9033 1.2223 1.2288 1.7567 1.7678 2.1216 2.1323 2.3816 2.3912 2.9055 2.9230 3.8585 3.9010 4.0791 4.1025 4.3838 4.4113 4.9677 4.9737 5.5033 5.5131 6.7891 6.8018 7.1832 7.2010 7.4855 7.5001 k =-0.2753 0.3136 0.4173 ( 4233 PWs) bands (ev): -9.5623 -9.5421 -9.5056 -9.4996 -8.8927 -8.8398 -8.6497 -8.6385 -8.6322 -8.6114 -7.7152 -7.6882 -7.0977 -7.0647 -6.8070 -6.7774 -6.2625 -6.2381 -3.8184 -3.8165 -0.1543 -0.1511 0.8818 0.8862 1.2085 1.2145 1.7288 1.7405 2.0848 2.0967 2.3924 2.4025 2.8814 2.9013 3.8567 3.8998 4.1052 4.1270 4.3725 4.4011 4.9798 4.9869 5.5509 5.5588 6.8092 6.8211 7.1860 7.2037 7.4619 7.4763 k =-0.2664 0.3035 0.4038 ( 4237 PWs) bands (ev): -9.5613 -9.5418 -9.5059 -9.5004 -8.8917 -8.8404 -8.6508 -8.6383 -8.6318 -8.6114 -7.7584 -7.7287 -7.0743 -7.0405 -6.7885 -6.7598 -6.2450 -6.2207 -3.8184 -3.8166 -0.1503 -0.1471 0.8676 0.8719 1.1932 1.1987 1.7035 1.7159 2.0484 2.0614 2.4075 2.4191 2.8582 2.8810 3.8532 3.8971 4.1310 4.1517 4.3541 4.3834 4.9874 4.9958 5.5946 5.6012 6.8274 6.8383 7.1916 7.2089 7.4403 7.4544 k =-0.2576 0.2933 0.3904 ( 4245 PWs) bands (ev): -9.5602 -9.5414 -9.5061 -9.5012 -8.8905 -8.8410 -8.6522 -8.6378 -8.6314 -8.6114 -7.8023 -7.7701 -7.0491 -7.0148 -6.7694 -6.7415 -6.2274 -6.2033 -3.8205 -3.8188 -0.1461 -0.1428 0.8561 0.8604 1.1764 1.1815 1.6807 1.6940 2.0125 2.0268 2.4253 2.4393 2.8372 2.8634 3.8474 3.8920 4.1545 4.1746 4.3313 4.3608 4.9911 5.0009 5.6330 5.6392 6.8417 6.8517 7.2007 7.2173 7.4231 7.4369 k =-0.2487 0.2832 0.3769 ( 4249 PWs) bands (ev): -9.5592 -9.5410 -9.5063 -9.5020 -8.8893 -8.8416 -8.6537 -8.6373 -8.6309 -8.6114 -7.8464 -7.8119 -7.0222 -6.9879 -6.7499 -6.7229 -6.2098 -6.1860 -3.8246 -3.8230 -0.1413 -0.1379 0.8472 0.8516 1.1582 1.1630 1.6604 1.6747 1.9775 1.9931 2.4437 2.4609 2.8203 2.8506 3.8384 3.8837 4.1707 4.1911 4.3104 4.3384 4.9919 5.0033 5.6649 5.6718 6.8499 6.8589 7.2136 7.2294 7.4130 7.4262 k =-0.2398 0.2731 0.3634 ( 4255 PWs) bands (ev): -9.5580 -9.5407 -9.5064 -9.5028 -8.8879 -8.8422 -8.6554 -8.6367 -8.6304 -8.6114 -7.8904 -7.8536 -6.9942 -6.9602 -6.7301 -6.7040 -6.1922 -6.1688 -3.8307 -3.8291 -0.1358 -0.1323 0.8407 0.8453 1.1389 1.1435 1.6427 1.6582 1.9437 1.9605 2.4599 2.4808 2.8100 2.8447 3.8253 3.8713 4.1699 4.1911 4.3032 4.3259 4.9910 5.0041 5.6893 5.6976 6.8497 6.8577 7.2308 7.2455 7.4123 7.4247 k =-0.2309 0.2630 0.3500 ( 4247 PWs) bands (ev): -9.5569 -9.5404 -9.5064 -9.5035 -8.8864 -8.8428 -8.6573 -8.6360 -8.6299 -8.6115 -7.9340 -7.8950 -6.9651 -6.9316 -6.7101 -6.6850 -6.1747 -6.1518 -3.8386 -3.8371 -0.1292 -0.1257 0.8365 0.8412 1.1189 1.1233 1.6277 1.6444 1.9111 1.9291 2.4710 2.4951 2.8092 2.8478 3.8075 3.8540 4.1458 4.1688 4.3153 4.3319 4.9894 5.0046 5.7056 5.7157 6.8393 6.8466 7.2526 7.2660 7.4224 7.4340 k =-0.2220 0.2529 0.3365 ( 4247 PWs) bands (ev): -9.5558 -9.5400 -9.5064 -9.5041 -8.8849 -8.8433 -8.6593 -8.6352 -8.6294 -8.6115 -7.9770 -7.9358 -6.9353 -6.9026 -6.6901 -6.6659 -6.1573 -6.1350 -3.8482 -3.8468 -0.1213 -0.1178 0.8343 0.8393 1.0983 1.1028 1.6157 1.6335 1.8799 1.8990 2.4748 2.5008 2.8199 2.8612 3.7842 3.8312 4.1063 4.1311 4.3385 4.3522 4.9885 5.0059 5.7133 5.7253 6.8186 6.8253 7.2793 7.2915 7.4432 7.4540 k =-0.2131 0.2428 0.3231 ( 4247 PWs) bands (ev): -9.5546 -9.5397 -9.5063 -9.5047 -8.8832 -8.8437 -8.6615 -8.6345 -8.6289 -8.6116 -8.0192 -7.9758 -6.9049 -6.8731 -6.6701 -6.6469 -6.1402 -6.1185 -3.8594 -3.8580 -0.1121 -0.1085 0.8339 0.8394 1.0775 1.0823 1.6067 1.6256 1.8502 1.8703 2.4708 2.4970 2.8416 2.8841 3.7551 3.8024 4.0602 4.0859 4.3662 4.3796 4.9892 5.0091 5.7122 5.7261 6.7883 6.7949 7.3111 7.3219 7.4733 7.4832 k =-0.2043 0.2326 0.3096 ( 4239 PWs) bands (ev): -9.5534 -9.5394 -9.5063 -9.5052 -8.8815 -8.8441 -8.6638 -8.6337 -8.6283 -8.6117 -8.0605 -8.0149 -6.8741 -6.8434 -6.6503 -6.6280 -6.1233 -6.1023 -3.8721 -3.8708 -0.1013 -0.0976 0.8352 0.8412 1.0568 1.0619 1.6011 1.6208 1.8220 1.8431 2.4601 2.4851 2.8713 2.9139 3.7200 3.7675 4.0122 4.0384 4.3958 4.4102 4.9925 5.0150 5.7024 5.7181 6.7502 6.7568 7.3478 7.3575 7.5105 7.5197 k =-0.1954 0.2225 0.2961 ( 4235 PWs) bands (ev): -9.5523 -9.5391 -9.5062 -9.5055 -8.8797 -8.8444 -8.6663 -8.6330 -8.6277 -8.6117 -8.1007 -8.0528 -6.8431 -6.8135 -6.6306 -6.6094 -6.1068 -6.0864 -3.8862 -3.8849 -0.0888 -0.0851 0.8380 0.8445 1.0364 1.0420 1.5989 1.6192 1.7954 1.8172 2.4444 2.4677 2.9043 2.9469 3.6790 3.7264 3.9658 3.9920 4.4264 4.4422 4.9988 5.0240 5.6843 5.7016 6.7062 6.7129 7.3890 7.3976 7.5526 7.5613 k =-0.1865 0.2124 0.2827 ( 4235 PWs) bands (ev): -9.5511 -9.5388 -9.5063 -9.5055 -8.8779 -8.8446 -8.6689 -8.6324 -8.6272 -8.6118 -8.1397 -8.0895 -6.8119 -6.7836 -6.6113 -6.5911 -6.0906 -6.0710 -3.9013 -3.9001 -0.0747 -0.0709 0.8421 0.8493 1.0166 1.0227 1.6004 1.6206 1.7704 1.7927 2.4253 2.4468 2.9361 2.9788 3.6323 3.6793 3.9242 3.9500 4.4573 4.4748 5.0084 5.0363 5.6584 5.6772 6.6579 6.6649 7.4340 7.4418 7.5978 7.6062 k =-0.1776 0.2023 0.2692 ( 4231 PWs) bands (ev): -9.5500 -9.5386 -9.5065 -9.5053 -8.8760 -8.8448 -8.6716 -8.6319 -8.6266 -8.6120 -8.1774 -8.1249 -6.7808 -6.7539 -6.5924 -6.5732 -6.0749 -6.0561 -3.9175 -3.9163 -0.0588 -0.0550 0.8473 0.8553 0.9975 1.0043 1.6053 1.6248 1.7474 1.7698 2.4041 2.4239 2.9623 3.0054 3.5806 3.6266 3.8913 3.9161 4.4884 4.5077 5.0211 5.0516 5.6255 5.6456 6.6068 6.6140 7.4821 7.4891 7.6446 7.6527 k =-0.1687 0.1922 0.2558 ( 4235 PWs) bands (ev): -9.5488 -9.5383 -9.5068 -9.5051 -8.8740 -8.8448 -8.6745 -8.6314 -8.6260 -8.6121 -8.2137 -8.1589 -6.7499 -6.7245 -6.5739 -6.5557 -6.0596 -6.0417 -3.9345 -3.9333 -0.0411 -0.0373 0.8536 0.8624 0.9794 0.9870 1.6137 1.6306 1.7267 1.7488 2.3821 2.4002 2.9788 3.0224 3.5241 3.5685 3.8704 3.8939 4.5196 4.5406 5.0365 5.0696 5.5866 5.6078 6.5542 6.5616 7.5324 7.5389 7.6916 7.6995 k =-0.1599 0.1821 0.2423 ( 4235 PWs) bands (ev): -9.5477 -9.5380 -9.5069 -9.5047 -8.8720 -8.8447 -8.6776 -8.6312 -8.6255 -8.6122 -8.2484 -8.1913 -6.7194 -6.6954 -6.5559 -6.5388 -6.0448 -6.0279 -3.9521 -3.9509 -0.0218 -0.0179 0.8607 0.8704 0.9626 0.9710 1.6247 1.6359 1.7096 1.7311 2.3598 2.3764 2.9827 3.0265 3.4635 3.5058 3.8645 3.8864 4.5506 4.5733 5.0541 5.0895 5.5425 5.5646 6.5011 6.5086 7.5843 7.5904 7.7377 7.7455 k =-0.1510 0.1720 0.2288 ( 4239 PWs) bands (ev): -9.5466 -9.5378 -9.5070 -9.5044 -8.8699 -8.8445 -8.6807 -8.6312 -8.6249 -8.6123 -8.2815 -8.2222 -6.6893 -6.6668 -6.5385 -6.5225 -6.0307 -6.0147 -3.9702 -3.9690 -0.0009 0.0031 0.8686 0.8792 0.9474 0.9567 1.6343 1.6378 1.6973 1.7210 2.3379 2.3530 2.9726 3.0162 3.3992 3.4392 3.8747 3.8948 4.5815 4.6058 5.0731 5.1106 5.4943 5.5172 6.4484 6.4560 7.6368 7.6426 7.7821 7.7897 k =-0.1421 0.1618 0.2154 ( 4235 PWs) bands (ev): -9.5456 -9.5375 -9.5070 -9.5040 -8.8678 -8.8442 -8.6840 -8.6315 -8.6243 -8.6124 -8.3128 -8.2515 -6.6598 -6.6389 -6.5217 -6.5068 -6.0171 -6.0021 -3.9886 -3.9873 0.0215 0.0256 0.8769 0.8884 0.9344 0.9446 1.6262 1.6428 1.6929 1.7246 2.3170 2.3305 2.9493 2.9921 3.3321 3.3696 3.8998 3.9184 4.6122 4.6380 5.0927 5.1323 5.4430 5.4667 6.3970 6.4047 7.6892 7.6949 7.8236 7.8312 k =-0.1332 0.1517 0.2019 ( 4239 PWs) bands (ev): -9.5446 -9.5372 -9.5070 -9.5036 -8.8656 -8.8437 -8.6874 -8.6323 -8.6237 -8.6125 -8.3422 -8.2791 -6.6310 -6.6118 -6.5055 -6.4919 -6.0042 -5.9902 -4.0071 -4.0058 0.0451 0.0493 0.8850 0.8964 0.9251 0.9358 1.6108 1.6345 1.7034 1.7395 2.2973 2.3092 2.9149 2.9566 3.2628 3.2981 3.9374 3.9546 4.6426 4.6697 5.1121 5.1535 5.3898 5.4141 6.3477 6.3554 7.7409 7.7467 7.8612 7.8692 k =-0.1243 0.1416 0.1884 ( 4245 PWs) bands (ev): -9.5436 -9.5370 -9.5069 -9.5032 -8.8634 -8.8432 -8.6909 -8.6335 -8.6231 -8.6125 -8.3696 -8.3050 -6.6032 -6.5856 -6.4901 -6.4777 -5.9920 -5.9790 -4.0254 -4.0241 0.0698 0.0740 0.8912 0.8988 0.9240 0.9325 1.5918 1.6171 1.7239 1.7608 2.2794 2.2896 2.8722 2.9126 3.1923 3.2255 3.9841 4.0002 4.6727 4.7011 5.1302 5.1735 5.3358 5.3607 6.3013 6.3089 7.7912 7.7974 7.8930 7.9023 k =-0.1155 0.1315 0.1750 ( 4231 PWs) bands (ev): -9.5427 -9.5368 -9.5067 -9.5029 -8.8611 -8.8425 -8.6945 -8.6354 -8.6224 -8.6126 -8.3948 -8.3291 -6.5763 -6.5605 -6.4755 -6.4643 -5.9805 -5.9685 -4.0435 -4.0422 0.0951 0.0995 0.8939 0.8954 0.9305 0.9376 1.5709 1.5960 1.7488 1.7858 2.2635 2.2719 2.8240 2.8631 3.1214 3.1528 4.0365 4.0517 4.7023 4.7319 5.1461 5.1912 5.2822 5.3079 6.2583 6.2658 7.8393 7.8464 7.9163 7.9288 k =-0.1066 0.1214 0.1615 ( 4237 PWs) bands (ev): -9.5418 -9.5366 -9.5065 -9.5025 -8.8588 -8.8418 -8.6981 -8.6380 -8.6218 -8.6127 -8.4176 -8.3516 -6.5507 -6.5366 -6.4616 -6.4517 -5.9698 -5.9588 -4.0612 -4.0598 0.1208 0.1252 0.8918 0.8943 0.9405 0.9490 1.5483 1.5726 1.7756 1.8127 2.2501 2.2566 2.7726 2.8106 3.0509 3.0806 4.0918 4.1062 4.7314 4.7622 5.1581 5.2047 5.2318 5.2578 6.2195 6.2268 7.8835 7.8931 7.9265 7.9450 k =-0.0977 0.1113 0.1481 ( 4241 PWs) bands (ev): -9.5410 -9.5364 -9.5062 -9.5022 -8.8564 -8.8409 -8.7017 -8.6414 -8.6212 -8.6127 -8.4378 -8.3724 -6.5264 -6.5141 -6.4486 -6.4400 -5.9599 -5.9499 -4.0781 -4.0769 0.1465 0.1509 0.8904 0.8951 0.9532 0.9630 1.5241 1.5472 1.8031 1.8404 2.2393 2.2445 2.7200 2.7570 2.9816 3.0098 4.1473 4.1611 4.7600 4.7918 5.1602 5.1797 5.2137 5.2225 6.1853 6.1922 7.9121 7.9192 7.9377 7.9530 k =-0.0888 0.1012 0.1346 ( 4249 PWs) bands (ev): -9.5403 -9.5362 -9.5059 -9.5019 -8.8540 -8.8400 -8.7052 -8.6458 -8.6205 -8.6128 -8.4554 -8.3914 -6.5036 -6.4931 -6.4364 -6.4293 -5.9507 -5.9418 -4.0943 -4.0931 0.1716 0.1761 0.8921 0.8980 0.9676 0.9782 1.4982 1.5199 1.8300 1.8676 2.2313 2.2363 2.6680 2.7040 2.9141 2.9408 4.2007 4.2140 4.7879 4.8208 5.1307 5.1447 5.1968 5.2285 6.1560 6.1625 7.8892 7.8994 7.9786 7.9812 k =-0.0799 0.0910 0.1211 ( 4249 PWs) bands (ev): -9.5396 -9.5360 -9.5055 -9.5016 -8.8515 -8.8390 -8.7086 -8.6511 -8.6199 -8.6128 -8.4702 -8.4088 -6.4825 -6.4738 -6.4250 -6.4194 -5.9424 -5.9344 -4.1095 -4.1083 0.1957 0.2001 0.8975 0.9042 0.9830 0.9940 1.4704 1.4905 1.8553 1.8932 2.2267 2.2328 2.6180 2.6529 2.8490 2.8743 4.2499 4.2627 4.8151 4.8490 5.0921 5.1093 5.1948 5.2322 6.1317 6.1376 7.8487 7.8587 8.0155 8.0177 k =-0.0710 0.0809 0.1077 ( 4251 PWs) bands (ev): -9.5389 -9.5359 -9.5051 -9.5014 -8.8490 -8.8379 -8.7117 -8.6575 -8.6193 -8.6129 -8.4823 -8.4246 -6.4633 -6.4563 -6.4145 -6.4104 -5.9349 -5.9279 -4.1236 -4.1225 0.2184 0.2226 0.9069 0.9140 0.9990 1.0101 1.4406 1.4590 1.8779 1.9157 2.2264 2.2344 2.5713 2.6047 2.7866 2.8106 4.2931 4.3051 4.8414 4.8763 5.0596 5.0770 5.1932 5.2320 6.1123 6.1176 7.8022 7.8107 8.0490 8.0520 k =-0.0622 0.0708 0.0942 ( 4247 PWs) bands (ev): -9.5383 -9.5357 -9.5046 -9.5012 -8.8465 -8.8369 -8.7144 -8.6645 -8.6187 -8.6131 -8.4916 -8.4388 -6.4461 -6.4408 -6.4048 -6.4022 -5.9282 -5.9222 -4.1364 -4.1353 0.2391 0.2431 0.9204 0.9277 1.0152 1.0260 1.4089 1.4255 1.8969 1.9338 2.2315 2.2412 2.5288 2.5605 2.7275 2.7500 4.3288 4.3399 4.8666 4.9024 5.0353 5.0515 5.1892 5.2278 6.0975 6.1021 7.7545 7.7617 8.0789 8.0827 k =-0.0533 0.0607 0.0808 ( 4245 PWs) bands (ev): -9.5378 -9.5356 -9.5042 -9.5011 -8.8441 -8.8359 -8.7166 -8.6722 -8.6181 -8.6132 -8.4984 -8.4516 -6.4312 -6.4273 -6.3962 -6.3947 -5.9224 -5.9173 -4.1477 -4.1468 0.2575 0.2611 0.9382 0.9456 1.0312 1.0413 1.3754 1.3901 1.9119 1.9468 2.2424 2.2533 2.4916 2.5208 2.6717 2.6929 4.3562 4.3660 4.8904 4.9270 5.0199 5.0339 5.1826 5.2201 6.0867 6.0906 7.7088 7.7148 8.1047 8.1092 k =-0.0444 0.0506 0.0673 ( 4245 PWs) bands (ev): -9.5373 -9.5356 -9.5038 -9.5011 -8.8417 -8.8350 -8.7182 -8.6800 -8.6175 -8.6134 -8.5029 -8.4629 -6.4189 -6.4159 -6.3890 -6.3875 -5.9175 -5.9133 -4.1576 -4.1568 0.2733 0.2765 0.9599 0.9674 1.0464 1.0554 1.3402 1.3532 1.9228 1.9544 2.2591 2.2704 2.4605 2.4862 2.6193 2.6392 4.3754 4.3837 4.9123 4.9491 5.0133 5.0245 5.1739 5.2094 6.0793 6.0824 7.6671 7.6720 8.1260 8.1313 k =-0.0355 0.0405 0.0538 ( 4241 PWs) bands (ev): -9.5369 -9.5355 -9.5033 -9.5011 -8.8396 -8.8342 -8.7191 -8.6878 -8.6170 -8.6137 -8.5054 -8.4728 -6.4093 -6.4066 -6.3830 -6.3809 -5.9133 -5.9100 -4.1658 -4.1651 0.2863 0.2890 0.9852 0.9925 1.0604 1.0681 1.3040 1.3153 1.9302 1.9572 2.2808 2.2920 2.4358 2.4571 2.5705 2.5892 4.3874 4.3940 4.9318 4.9671 5.0146 5.0227 5.1640 5.1965 6.0744 6.0769 7.6308 7.6347 8.1430 8.1486 k =-0.0266 0.0303 0.0404 ( 4237 PWs) bands (ev): -9.5366 -9.5355 -9.5029 -9.5012 -8.8377 -8.8337 -8.7190 -8.6951 -8.6164 -8.6140 -8.5062 -8.4814 -6.4021 -6.3996 -6.3778 -6.3755 -5.9101 -5.9076 -4.1722 -4.1717 0.2965 0.2986 1.0129 1.0200 1.0730 1.0789 1.2676 1.2771 1.9353 1.9566 2.3067 2.3173 2.4180 2.4336 2.5251 2.5426 4.3941 4.3990 4.9488 4.9790 5.0220 5.0271 5.1542 5.1823 6.0715 6.0733 7.6013 7.6043 8.1557 8.1610 k =-0.0178 0.0202 0.0269 ( 4239 PWs) bands (ev): -9.5363 -9.5356 -9.5025 -9.5013 -8.8360 -8.8334 -8.7178 -8.7017 -8.6159 -8.6143 -8.5054 -8.4887 -6.3970 -6.3950 -6.3735 -6.3716 -5.9076 -5.9060 -4.1768 -4.1765 0.3039 0.3053 1.0406 1.0472 1.0845 1.0881 1.2326 1.2403 1.9391 1.9537 2.3357 2.3450 2.4074 2.4156 2.4831 2.4997 4.3973 4.4005 4.9630 4.9846 5.0316 5.0352 5.1464 5.1680 6.0700 6.0711 7.5796 7.5816 8.1646 8.1687 k =-0.0089 0.0101 0.0135 ( 4243 PWs) bands (ev): -9.5360 -9.5357 -9.5021 -9.5016 -8.8348 -8.8335 -8.7155 -8.7074 -8.6155 -8.6147 -8.5031 -8.4947 -6.3938 -6.3927 -6.3705 -6.3694 -5.9060 -5.9052 -4.1796 -4.1794 0.3084 0.3092 1.0630 1.0673 1.0963 1.0978 1.2033 1.2084 1.9424 1.9499 2.3664 2.3720 2.4029 2.4056 2.4453 2.4609 4.3987 4.4003 4.9741 4.9852 5.0397 5.0423 5.1430 5.1551 6.0693 6.0699 7.5665 7.5675 8.1703 8.1725 k = 0.0000 0.0000 0.0000 ( 4249 PWs) bands (ev): -9.5358 -9.5358 -9.5018 -9.5018 -8.8339 -8.8339 -8.7121 -8.7121 -8.6151 -8.6151 -8.4996 -8.4996 -6.3923 -6.3923 -6.3691 -6.3691 -5.9052 -5.9052 -4.1804 -4.1804 0.3102 0.3102 1.0724 1.0724 1.1043 1.1043 1.1918 1.1918 1.9460 1.9460 2.3865 2.3865 2.4038 2.4038 2.4308 2.4308 4.3996 4.3996 4.9816 4.9816 5.0440 5.0440 5.1460 5.1460 6.0694 6.0694 7.5624 7.5624 8.1729 8.1729 k = 0.0000 0.0000 0.0000 ( 4249 PWs) bands (ev): -9.5358 -9.5358 -9.5018 -9.5018 -8.8339 -8.8339 -8.7121 -8.7121 -8.6151 -8.6151 -8.4996 -8.4996 -6.3923 -6.3923 -6.3691 -6.3691 -5.9052 -5.9052 -4.1804 -4.1804 0.3102 0.3102 1.0724 1.0724 1.1043 1.1043 1.1918 1.1918 1.9460 1.9460 2.3865 2.3865 2.4038 2.4038 2.4308 2.4308 4.3996 4.3996 4.9816 4.9816 5.0440 5.0440 5.1460 5.1460 6.0694 6.0694 7.5624 7.5624 8.1729 8.1729 k = 0.0143 0.0125 0.0000 ( 4241 PWs) bands (ev): -9.5359 -9.5359 -9.5018 -9.5018 -8.8342 -8.8342 -8.7115 -8.7115 -8.6151 -8.6151 -8.4987 -8.4987 -6.3926 -6.3926 -6.3694 -6.3694 -5.9070 -5.9070 -4.1803 -4.1803 0.3075 0.3075 1.0736 1.0736 1.1054 1.1055 1.1937 1.1937 1.9486 1.9486 2.3876 2.3876 2.4051 2.4052 2.4327 2.4328 4.3974 4.3974 4.9800 4.9800 5.0421 5.0422 5.1451 5.1451 6.0691 6.0691 7.5664 7.5664 8.1722 8.1723 k = 0.0286 0.0251 0.0000 ( 4237 PWs) bands (ev): -9.5361 -9.5361 -9.5017 -9.5017 -8.8350 -8.8350 -8.7100 -8.7100 -8.6153 -8.6153 -8.4961 -8.4961 -6.3935 -6.3935 -6.3703 -6.3703 -5.9126 -5.9126 -4.1800 -4.1800 0.2997 0.2997 1.0771 1.0772 1.1088 1.1089 1.1993 1.1993 1.9562 1.9562 2.3909 2.3910 2.4092 2.4094 2.4385 2.4387 4.3908 4.3908 4.9751 4.9752 5.0367 5.0368 5.1423 5.1423 6.0684 6.0684 7.5784 7.5784 8.1700 8.1702 k = 0.0429 0.0376 0.0000 ( 4229 PWs) bands (ev): -9.5364 -9.5364 -9.5016 -9.5016 -8.8363 -8.8363 -8.7075 -8.7075 -8.6156 -8.6155 -8.4917 -8.4917 -6.3949 -6.3949 -6.3718 -6.3718 -5.9218 -5.9218 -4.1795 -4.1795 0.2869 0.2869 1.0829 1.0830 1.1145 1.1145 1.2087 1.2087 1.9683 1.9683 2.3965 2.3966 2.4160 2.4162 2.4486 2.4488 4.3798 4.3798 4.9670 4.9671 5.0276 5.0278 5.1376 5.1376 6.0676 6.0677 7.5979 7.5980 8.1663 8.1665 k = 0.0571 0.0502 0.0000 ( 4229 PWs) bands (ev): -9.5369 -9.5369 -9.5014 -9.5014 -8.8380 -8.8380 -8.7043 -8.7043 -8.6159 -8.6159 -8.4855 -8.4854 -6.3969 -6.3969 -6.3738 -6.3738 -5.9346 -5.9346 -4.1788 -4.1788 0.2696 0.2696 1.0911 1.0912 1.1223 1.1224 1.2218 1.2218 1.9842 1.9842 2.4044 2.4044 2.4252 2.4254 2.4633 2.4635 4.3644 4.3644 4.9557 4.9559 5.0151 5.0153 5.1308 5.1308 6.0674 6.0674 7.6244 7.6244 8.1610 8.1613 k = 0.0714 0.0627 0.0000 ( 4225 PWs) bands (ev): -9.5375 -9.5375 -9.5012 -9.5012 -8.8400 -8.8399 -8.7005 -8.7004 -8.6163 -8.6163 -8.4774 -8.4774 -6.3995 -6.3994 -6.3765 -6.3764 -5.9510 -5.9510 -4.1780 -4.1780 0.2483 0.2483 1.1014 1.1015 1.1324 1.1325 1.2385 1.2385 2.0030 2.0030 2.4146 2.4147 2.4369 2.4369 2.4832 2.4834 4.3448 4.3448 4.9413 4.9416 4.9992 4.9995 5.1218 5.1218 6.0682 6.0682 7.6569 7.6569 8.1540 8.1544 k = 0.0857 0.0753 0.0000 ( 4225 PWs) bands (ev): -9.5382 -9.5382 -9.5009 -9.5009 -8.8421 -8.8421 -8.6963 -8.6962 -8.6168 -8.6168 -8.4674 -8.4674 -6.4025 -6.4024 -6.3796 -6.3796 -5.9707 -5.9707 -4.1770 -4.1770 0.2235 0.2235 1.1140 1.1141 1.1445 1.1447 1.2588 1.2588 2.0235 2.0235 2.4271 2.4273 2.4507 2.4508 2.5087 2.5088 4.3209 4.3209 4.9239 4.9242 4.9801 4.9805 5.1104 5.1104 6.0707 6.0707 7.6946 7.6946 8.1452 8.1456 k = 0.1000 0.0878 0.0000 ( 4241 PWs) bands (ev): -9.5390 -9.5390 -9.5006 -9.5006 -8.8443 -8.8442 -8.6919 -8.6918 -8.6173 -8.6173 -8.4555 -8.4555 -6.4061 -6.4060 -6.3833 -6.3833 -5.9938 -5.9938 -4.1759 -4.1759 0.1959 0.1959 1.1286 1.1288 1.1587 1.1589 1.2825 1.2825 2.0449 2.0449 2.4418 2.4422 2.4666 2.4669 2.5401 2.5402 4.2929 4.2929 4.9037 4.9041 4.9580 4.9584 5.0967 5.0967 6.0753 6.0753 7.7365 7.7365 8.1343 8.1349 k = 0.1143 0.1003 0.0000 ( 4237 PWs) bands (ev): -9.5399 -9.5399 -9.5002 -9.5002 -8.8464 -8.8464 -8.6874 -8.6874 -8.6179 -8.6178 -8.4416 -8.4416 -6.4101 -6.4100 -6.3875 -6.3874 -6.0200 -6.0200 -4.1748 -4.1748 0.1661 0.1661 1.1454 1.1456 1.1749 1.1752 1.3095 1.3095 2.0664 2.0664 2.4587 2.4592 2.4846 2.4851 2.5776 2.5776 4.2608 4.2609 4.8808 4.8812 4.9331 4.9335 5.0808 5.0808 6.0822 6.0822 7.7818 7.7818 8.1212 8.1219 k = 0.1286 0.1129 0.0000 ( 4237 PWs) bands (ev): -9.5409 -9.5409 -9.4998 -9.4998 -8.8486 -8.8485 -8.6830 -8.6829 -8.6185 -8.6184 -8.4257 -8.4257 -6.4145 -6.4144 -6.3921 -6.3920 -6.0492 -6.0492 -4.1737 -4.1737 0.1347 0.1347 1.1640 1.1643 1.1931 1.1933 1.3397 1.3398 2.0874 2.0874 2.4778 2.4784 2.5047 2.5053 2.6212 2.6212 4.2249 4.2249 4.8554 4.8559 4.9056 4.9061 5.0628 5.0628 6.0915 6.0915 7.8295 7.8295 8.1058 8.1065 k = 0.1429 0.1254 0.0000 ( 4229 PWs) bands (ev): -9.5419 -9.5419 -9.4994 -9.4994 -8.8506 -8.8506 -8.6788 -8.6787 -8.6190 -8.6189 -8.4078 -8.4078 -6.4193 -6.4192 -6.3971 -6.3970 -6.0812 -6.0812 -4.1726 -4.1726 0.1020 0.1020 1.1846 1.1848 1.2130 1.2132 1.3730 1.3730 2.1077 2.1078 2.4987 2.4995 2.5267 2.5275 2.6706 2.6706 4.1851 4.1851 4.8277 4.8282 4.8757 4.8763 5.0429 5.0429 6.1031 6.1031 7.8787 7.8787 8.0877 8.0886 k = 0.1571 0.1380 0.0000 ( 4225 PWs) bands (ev): -9.5430 -9.5430 -9.4989 -9.4989 -8.8525 -8.8525 -8.6747 -8.6746 -8.6196 -8.6195 -8.3879 -8.3879 -6.4245 -6.4244 -6.4025 -6.4024 -6.1159 -6.1159 -4.1715 -4.1715 0.0686 0.0686 1.2069 1.2072 1.2346 1.2349 1.4091 1.4091 2.1273 2.1274 2.5216 2.5225 2.5506 2.5515 2.7253 2.7254 4.1417 4.1417 4.7980 4.7986 4.8437 4.8444 5.0215 5.0215 6.1166 6.1166 7.9287 7.9287 8.0669 8.0679 k = 0.1714 0.1505 0.0000 ( 4229 PWs) bands (ev): -9.5441 -9.5441 -9.4984 -9.4984 -8.8542 -8.8542 -8.6709 -8.6708 -8.6202 -8.6201 -8.3661 -8.3660 -6.4300 -6.4299 -6.4083 -6.4082 -6.1531 -6.1531 -4.1705 -4.1705 0.0348 0.0348 1.2308 1.2311 1.2577 1.2581 1.4479 1.4479 2.1464 2.1464 2.5461 2.5471 2.5762 2.5773 2.7848 2.7848 4.0949 4.0950 4.7665 4.7672 4.8100 4.8107 4.9987 4.9987 6.1317 6.1317 7.9783 7.9783 8.0433 8.0444 k = 0.1857 0.1631 0.0000 ( 4241 PWs) bands (ev): -9.5453 -9.5453 -9.4979 -9.4979 -8.8558 -8.8558 -8.6674 -8.6673 -8.6207 -8.6206 -8.3423 -8.3423 -6.4358 -6.4357 -6.4143 -6.4142 -6.1925 -6.1925 -4.1696 -4.1696 0.0011 0.0011 1.2562 1.2565 1.2824 1.2827 1.4891 1.4891 2.1652 2.1652 2.5721 2.5733 2.6034 2.6046 2.8482 2.8483 4.0450 4.0451 4.7335 4.7343 4.7747 4.7756 4.9749 4.9749 6.1478 6.1478 8.0159 8.0165 8.0234 8.0237 k = 0.2000 0.1756 0.0000 ( 4229 PWs) bands (ev): -9.5465 -9.5465 -9.4973 -9.4973 -8.8572 -8.8572 -8.6641 -8.6640 -8.6212 -8.6211 -8.3167 -8.3167 -6.4418 -6.4417 -6.4207 -6.4205 -6.2340 -6.2340 -4.1688 -4.1687 -0.0323 -0.0323 1.2829 1.2833 1.3083 1.3087 1.5326 1.5326 2.1840 2.1840 2.5995 2.6007 2.6320 2.6333 2.9150 2.9150 3.9923 3.9923 4.6993 4.7002 4.7384 4.7393 4.9501 4.9501 6.1645 6.1645 7.9867 7.9879 8.0063 8.0074 k = 0.2143 0.1881 0.0000 ( 4237 PWs) bands (ev): -9.5477 -9.5477 -9.4968 -9.4968 -8.8585 -8.8584 -8.6610 -8.6609 -8.6218 -8.6216 -8.2893 -8.2893 -6.4481 -6.4479 -6.4273 -6.4272 -6.2772 -6.2772 -4.1681 -4.1681 -0.0651 -0.0651 1.3109 1.3113 1.3354 1.3359 1.5781 1.5781 2.2032 2.2032 2.6280 2.6293 2.6618 2.6632 2.9844 2.9844 3.9371 3.9371 4.6643 4.6653 4.7011 4.7022 4.9245 4.9246 6.1812 6.1812 7.9539 7.9552 7.9730 7.9743 k = 0.2286 0.2007 0.0000 ( 4233 PWs) bands (ev): -9.5488 -9.5488 -9.4962 -9.4962 -8.8596 -8.8595 -8.6582 -8.6581 -8.6222 -8.6221 -8.2602 -8.2601 -6.4545 -6.4544 -6.4343 -6.4341 -6.3220 -6.3219 -4.1675 -4.1675 -0.0972 -0.0972 1.3398 1.3404 1.3635 1.3640 1.6253 1.6254 2.2231 2.2231 2.6573 2.6587 2.6925 2.6940 3.0556 3.0556 3.8798 3.8798 4.6287 4.6298 4.6634 4.6646 4.8982 4.8983 6.1975 6.1975 7.9181 7.9194 7.9363 7.9376 k = 0.2429 0.2132 0.0000 ( 4225 PWs) bands (ev): -9.5500 -9.5500 -9.4956 -9.4956 -8.8605 -8.8605 -8.6557 -8.6555 -8.6227 -8.6226 -8.2294 -8.2294 -6.4613 -6.4612 -6.4419 -6.4418 -6.3674 -6.3674 -4.1671 -4.1671 -0.1283 -0.1283 1.3697 1.3703 1.3924 1.3930 1.6741 1.6741 2.2440 2.2440 2.6872 2.6888 2.7240 2.7256 3.1280 3.1280 3.8206 3.8207 4.5930 4.5942 4.6256 4.6268 4.8713 4.8713 6.2131 6.2131 7.8794 7.8807 7.8967 7.8980 k = 0.2571 0.2258 0.0000 ( 4213 PWs) bands (ev): -9.5512 -9.5512 -9.4950 -9.4950 -8.8613 -8.8613 -8.6533 -8.6532 -8.6232 -8.6231 -8.1970 -8.1970 -6.4693 -6.4692 -6.4515 -6.4515 -6.4110 -6.4109 -4.1669 -4.1668 -0.1582 -0.1582 1.4002 1.4008 1.4219 1.4226 1.7240 1.7240 2.2661 2.2661 2.7175 2.7191 2.7558 2.7575 3.2010 3.2010 3.7602 3.7602 4.5574 4.5588 4.5880 4.5894 4.8436 4.8436 6.2275 6.2275 7.8380 7.8394 7.8545 7.8558 k = 0.2714 0.2383 0.0000 ( 4197 PWs) bands (ev): -9.5523 -9.5523 -9.4945 -9.4945 -8.8620 -8.8620 -8.6511 -8.6510 -8.6236 -8.6235 -8.1631 -8.1631 -6.4868 -6.4868 -6.4663 -6.4662 -6.4412 -6.4411 -4.1667 -4.1667 -0.1869 -0.1869 1.4312 1.4319 1.4519 1.4526 1.7748 1.7748 2.2896 2.2896 2.7478 2.7494 2.7878 2.7895 3.2738 3.2738 3.6989 3.6989 4.5224 4.5239 4.5509 4.5525 4.8152 4.8152 6.2406 6.2406 7.7942 7.7956 7.8100 7.8114 k = 0.2857 0.2509 0.0000 ( 4201 PWs) bands (ev): -9.5533 -9.5533 -9.4939 -9.4939 -8.8626 -8.8626 -8.6491 -8.6489 -8.6240 -8.6239 -8.1278 -8.1278 -6.5278 -6.5278 -6.4761 -6.4760 -6.4536 -6.4535 -4.1667 -4.1667 -0.2143 -0.2143 1.4625 1.4632 1.4822 1.4829 1.8261 1.8261 2.3146 2.3146 2.7777 2.7794 2.8195 2.8213 3.3453 3.3453 3.6375 3.6375 4.4883 4.4899 4.5149 4.5166 4.7861 4.7861 6.2522 6.2522 7.7485 7.7498 7.7636 7.7650 k = 0.3000 0.2634 0.0000 ( 4209 PWs) bands (ev): -9.5544 -9.5544 -9.4933 -9.4933 -8.8631 -8.8630 -8.6472 -8.6471 -8.6245 -8.6243 -8.0912 -8.0911 -6.5769 -6.5769 -6.4830 -6.4829 -6.4616 -6.4614 -4.1668 -4.1668 -0.2401 -0.2401 1.4938 1.4946 1.5124 1.5133 1.8778 1.8778 2.3412 2.3412 2.8070 2.8087 2.8506 2.8525 3.4135 3.4135 3.5779 3.5779 4.4554 4.4572 4.4802 4.4820 4.7563 4.7564 6.2622 6.2622 7.7012 7.7024 7.7158 7.7171 k = 0.3143 0.2759 0.0000 ( 4185 PWs) bands (ev): -9.5554 -9.5554 -9.4928 -9.4928 -8.8634 -8.8634 -8.6454 -8.6453 -8.6249 -8.6247 -8.0533 -8.0533 -6.6281 -6.6280 -6.4892 -6.4890 -6.4683 -6.4682 -4.1670 -4.1670 -0.2644 -0.2644 1.5249 1.5258 1.5425 1.5434 1.9295 1.9295 2.3693 2.3694 2.8352 2.8370 2.8808 2.8827 3.4627 3.4627 3.5354 3.5355 4.4242 4.4261 4.4472 4.4492 4.7261 4.7261 6.2706 6.2706 7.6529 7.6541 7.6671 7.6683 k = 0.3286 0.2885 0.0000 ( 4210 PWs) bands (ev): -9.5563 -9.5563 -9.4923 -9.4923 -8.8637 -8.8637 -8.6439 -8.6437 -8.6253 -8.6252 -8.0143 -8.0143 -6.6802 -6.6802 -6.4950 -6.4948 -6.4745 -6.4744 -4.1673 -4.1673 -0.2871 -0.2871 1.5556 1.5565 1.5720 1.5730 1.9808 1.9809 2.3989 2.3989 2.8621 2.8639 2.9096 2.9115 3.4331 3.4331 3.5698 3.5698 4.3949 4.3970 4.4162 4.4184 4.6954 4.6954 6.2775 6.2775 7.6042 7.6053 7.6180 7.6191 k = 0.3429 0.3010 0.0000 ( 4210 PWs) bands (ev): -9.5571 -9.5571 -9.4918 -9.4918 -8.8640 -8.8640 -8.6424 -8.6422 -8.6257 -8.6256 -7.9743 -7.9743 -6.7328 -6.7328 -6.5004 -6.5003 -6.4803 -6.4802 -4.1676 -4.1676 -0.3082 -0.3082 1.5855 1.5865 1.6009 1.6019 2.0317 2.0318 2.4297 2.4298 2.8873 2.8890 2.9368 2.9386 3.3753 3.3753 3.6299 3.6300 4.3678 4.3701 4.3876 4.3900 4.6645 4.6646 6.2830 6.2830 7.5557 7.5567 7.5693 7.5703 k = 0.3571 0.3136 0.0000 ( 4226 PWs) bands (ev): -9.5579 -9.5579 -9.4913 -9.4913 -8.8641 -8.8641 -8.6410 -8.6409 -8.6261 -8.6260 -7.9334 -7.9334 -6.7854 -6.7854 -6.5055 -6.5053 -6.4857 -6.4855 -4.1680 -4.1680 -0.3275 -0.3275 1.6144 1.6155 1.6286 1.6298 2.0819 2.0819 2.4614 2.4615 2.9105 2.9122 2.9619 2.9636 3.3151 3.3151 3.6900 3.6900 4.3432 4.3457 4.3616 4.3641 4.6338 4.6339 6.2872 6.2872 7.5082 7.5091 7.5214 7.5223 k = 0.3714 0.3261 0.0000 ( 4222 PWs) bands (ev): -9.5587 -9.5587 -9.4909 -9.4909 -8.8643 -8.8643 -8.6397 -8.6396 -8.6265 -8.6264 -7.8920 -7.8920 -6.8379 -6.8379 -6.5101 -6.5100 -6.4906 -6.4905 -4.1684 -4.1684 -0.3451 -0.3451 1.6420 1.6431 1.6551 1.6563 2.1312 2.1312 2.4935 2.4935 2.9315 2.9331 2.9846 2.9863 3.2552 3.2552 3.7468 3.7469 4.3214 4.3240 4.3383 4.3410 4.6037 4.6037 6.2903 6.2903 7.4623 7.4630 7.4752 7.4760 k = 0.3857 0.3387 0.0000 ( 4218 PWs) bands (ev): -9.5593 -9.5593 -9.4905 -9.4905 -8.8644 -8.8643 -8.6385 -8.6384 -8.6269 -8.6268 -7.8502 -7.8502 -6.8898 -6.8898 -6.5144 -6.5143 -6.4951 -6.4950 -4.1688 -4.1688 -0.3609 -0.3609 1.6679 1.6691 1.6799 1.6812 2.1794 2.1794 2.5253 2.5254 2.9501 2.9515 3.0047 3.0062 3.1967 3.1967 3.7994 3.7995 4.3023 4.3051 4.3180 4.3208 4.5746 4.5746 6.2925 6.2925 7.4187 7.4194 7.4313 7.4320 k = 0.4000 0.3512 0.0000 ( 4218 PWs) bands (ev): -9.5599 -9.5599 -9.4901 -9.4901 -8.8644 -8.8644 -8.6374 -8.6373 -8.6273 -8.6272 -7.8084 -7.8084 -6.9406 -6.9406 -6.5183 -6.5182 -6.4992 -6.4991 -4.1693 -4.1692 -0.3749 -0.3749 1.6919 1.6932 1.7028 1.7041 2.2263 2.2264 2.5562 2.5563 2.9661 2.9674 3.0217 3.0231 3.1406 3.1406 3.8471 3.8471 4.2862 4.2891 4.3005 4.3034 4.5470 4.5470 6.2939 6.2939 7.3782 7.3788 7.3905 7.3911 k = 0.4143 0.3637 0.0000 ( 4226 PWs) bands (ev): -9.5604 -9.5604 -9.4898 -9.4898 -8.8644 -8.8644 -8.6364 -8.6363 -8.6278 -8.6276 -7.7671 -7.7671 -6.9899 -6.9899 -6.5217 -6.5216 -6.5027 -6.5027 -4.1697 -4.1697 -0.3870 -0.3870 1.7136 1.7149 1.7234 1.7247 2.2716 2.2717 2.5852 2.5853 2.9795 2.9807 3.0338 3.0350 3.0891 3.0892 3.8891 3.8891 4.2729 4.2759 4.2857 4.2888 4.5217 4.5217 6.2947 6.2947 7.3415 7.3420 7.3534 7.3539 k = 0.4286 0.3763 0.0000 ( 4234 PWs) bands (ev): -9.5609 -9.5609 -9.4895 -9.4895 -8.8645 -8.8645 -8.6354 -8.6353 -8.6282 -8.6281 -7.7270 -7.7270 -7.0368 -7.0368 -6.5246 -6.5245 -6.5058 -6.5057 -4.1700 -4.1700 -0.3973 -0.3973 1.7327 1.7339 1.7415 1.7427 2.3149 2.3149 2.6115 2.6116 2.9898 2.9908 3.0240 3.0241 3.0610 3.0619 3.9251 3.9251 4.2624 4.2654 4.2737 4.2768 4.4992 4.4992 6.2951 6.2951 7.3091 7.3095 7.3208 7.3212 k = 0.4429 0.3888 0.0000 ( 4246 PWs) bands (ev): -9.5612 -9.5612 -9.4893 -9.4893 -8.8645 -8.8645 -8.6346 -8.6344 -8.6287 -8.6285 -7.6892 -7.6892 -7.0802 -7.0802 -6.5270 -6.5269 -6.5083 -6.5083 -4.1703 -4.1703 -0.4058 -0.4058 1.7489 1.7500 1.7567 1.7579 2.3552 2.3552 2.6340 2.6341 2.9796 2.9797 3.0022 3.0030 3.0650 3.0658 3.9547 3.9547 4.2544 4.2575 4.2641 4.2672 4.4801 4.4801 6.2951 6.2951 7.2818 7.2821 7.2931 7.2934 k = 0.4571 0.4014 0.0000 ( 4234 PWs) bands (ev): -9.5615 -9.5615 -9.4891 -9.4891 -8.8645 -8.8645 -8.6338 -8.6337 -8.6291 -8.6290 -7.6553 -7.6553 -7.1185 -7.1185 -6.5289 -6.5288 -6.5103 -6.5103 -4.1706 -4.1706 -0.4124 -0.4124 1.7619 1.7629 1.7688 1.7699 2.3911 2.3911 2.6519 2.6520 2.9418 2.9419 3.0073 3.0079 3.0713 3.0719 3.9777 3.9777 4.2488 4.2517 4.2568 4.2598 4.4648 4.4648 6.2951 6.2951 7.2600 7.2602 7.2710 7.2713 k = 0.4714 0.4139 0.0000 ( 4230 PWs) bands (ev): -9.5617 -9.5617 -9.4890 -9.4890 -8.8645 -8.8645 -8.6331 -8.6330 -8.6296 -8.6295 -7.6276 -7.6276 -7.1494 -7.1494 -6.5302 -6.5302 -6.5117 -6.5117 -4.1708 -4.1708 -0.4171 -0.4171 1.7714 1.7722 1.7777 1.7785 2.4205 2.4205 2.6645 2.6646 2.9105 2.9106 3.0116 3.0121 3.0761 3.0765 3.9940 3.9941 4.2453 4.2479 4.2518 4.2544 4.4538 4.4538 6.2949 6.2949 7.2441 7.2442 7.2549 7.2551 k = 0.4857 0.4265 0.0000 ( 4238 PWs) bands (ev): -9.5618 -9.5618 -9.4889 -9.4889 -8.8645 -8.8645 -8.6326 -8.6325 -8.6299 -8.6299 -7.6091 -7.6091 -7.1699 -7.1699 -6.5310 -6.5310 -6.5126 -6.5126 -4.1709 -4.1709 -0.4199 -0.4199 1.7773 1.7778 1.7832 1.7836 2.4403 2.4403 2.6717 2.6718 2.8900 2.8901 3.0143 3.0145 3.0790 3.0792 4.0038 4.0038 4.2437 4.2453 4.2492 4.2508 4.4471 4.4471 6.2948 6.2948 7.2344 7.2345 7.2451 7.2452 k = 0.5000 0.4390 0.0000 ( 4222 PWs) bands (ev): -9.5619 -9.5619 -9.4888 -9.4888 -8.8645 -8.8645 -8.6323 -8.6323 -8.6300 -8.6300 -7.6025 -7.6025 -7.1771 -7.1771 -6.5313 -6.5313 -6.5129 -6.5129 -4.1709 -4.1709 -0.4209 -0.4209 1.7795 1.7795 1.7852 1.7852 2.4473 2.4473 2.6740 2.6740 2.8829 2.8829 3.0152 3.0152 3.0801 3.0801 4.0070 4.0070 4.2438 4.2438 4.2490 4.2490 4.4449 4.4449 6.2948 6.2948 7.2312 7.2312 7.2419 7.2419 k = 0.5000 0.4390 0.0000 ( 4222 PWs) bands (ev): -9.5619 -9.5619 -9.4888 -9.4888 -8.8645 -8.8645 -8.6323 -8.6323 -8.6300 -8.6300 -7.6025 -7.6025 -7.1771 -7.1771 -6.5313 -6.5313 -6.5129 -6.5129 -4.1709 -4.1709 -0.4209 -0.4209 1.7795 1.7795 1.7852 1.7852 2.4473 2.4473 2.6740 2.6740 2.8829 2.8829 3.0152 3.0152 3.0801 3.0801 4.0070 4.0070 4.2438 4.2438 4.2490 4.2490 4.4449 4.4449 6.2948 6.2948 7.2312 7.2312 7.2419 7.2419 k = 0.4915 0.4487 0.0129 ( 4234 PWs) bands (ev): -9.5627 -9.5609 -9.4893 -9.4884 -8.8669 -8.8621 -8.6330 -8.6319 -8.6309 -8.6290 -7.6036 -7.6002 -7.1772 -7.1763 -6.5325 -6.5321 -6.5144 -6.5128 -4.1697 -4.1693 -0.4199 -0.4198 1.7749 1.7757 1.7801 1.7816 2.4480 2.4488 2.6676 2.6749 2.8722 2.8815 3.0177 3.0254 3.0799 3.0903 4.0039 4.0083 4.2399 4.2425 4.2437 4.2551 4.4464 4.4551 6.2962 6.2972 7.2321 7.2327 7.2426 7.2438 k = 0.4829 0.4584 0.0259 ( 4246 PWs) bands (ev): -9.5636 -9.5600 -9.4898 -9.4881 -8.8693 -8.8597 -8.6339 -8.6315 -8.6315 -8.6279 -7.6036 -7.5968 -7.1764 -7.1747 -6.5367 -6.5356 -6.5164 -6.5130 -4.1655 -4.1647 -0.4169 -0.4167 1.7617 1.7638 1.7670 1.7698 2.4503 2.4520 2.6564 2.6694 2.8555 2.8710 3.0247 3.0388 3.0957 3.1132 3.9991 4.0077 4.2310 4.2388 4.2406 4.2591 4.4598 4.4752 6.3013 6.3035 7.2338 7.2347 7.2474 7.2500 k = 0.4744 0.4682 0.0388 ( 4248 PWs) bands (ev): -9.5644 -9.5590 -9.4904 -9.4878 -8.8717 -8.8574 -8.6350 -8.6320 -8.6312 -8.6268 -7.6025 -7.5924 -7.1749 -7.1723 -6.5457 -6.5434 -6.5171 -6.5118 -4.1585 -4.1573 -0.4119 -0.4116 1.7397 1.7435 1.7475 1.7514 2.4537 2.4562 2.6405 2.6567 2.8390 2.8576 3.0285 3.0432 3.1328 3.1501 3.9930 4.0053 4.2217 4.2345 4.2358 4.2619 4.4836 4.5031 6.3101 6.3133 7.2344 7.2355 7.2581 7.2621 k = 0.4659 0.4779 0.0517 ( 4242 PWs) bands (ev): -9.5652 -9.5581 -9.4911 -9.4876 -8.8740 -8.8552 -8.6360 -8.6325 -8.6310 -8.6256 -7.6002 -7.5869 -7.1726 -7.1693 -6.5596 -6.5560 -6.5158 -6.5089 -4.1489 -4.1473 -0.4050 -0.4046 1.7102 1.7153 1.7232 1.7275 2.4567 2.4603 2.6205 2.6369 2.8249 2.8441 3.0295 3.0429 3.1829 3.1977 3.9856 4.0013 4.2121 4.2261 4.2349 4.2655 4.5154 4.5370 6.3223 6.3266 7.2341 7.2357 7.2741 7.2792 k = 0.4573 0.4876 0.0647 ( 4234 PWs) bands (ev): -9.5658 -9.5571 -9.4917 -9.4875 -8.8763 -8.8530 -8.6371 -8.6329 -8.6309 -8.6244 -7.5968 -7.5804 -7.1696 -7.1657 -6.5776 -6.5729 -6.5130 -6.5046 -4.1368 -4.1349 -0.3962 -0.3958 1.6748 1.6807 1.6945 1.6991 2.4578 2.4631 2.5973 2.6115 2.8120 2.8307 3.0295 3.0420 3.2404 3.2527 3.9774 3.9961 4.2016 4.2155 4.2384 4.2716 4.5530 4.5755 6.3378 6.3431 7.2333 7.2355 7.2943 7.3006 k = 0.4488 0.4973 0.0776 ( 4234 PWs) bands (ev): -9.5665 -9.5561 -9.4924 -9.4875 -8.8785 -8.8510 -8.6382 -8.6332 -8.6308 -8.6233 -7.5923 -7.5729 -7.1660 -7.1615 -6.5993 -6.5934 -6.5090 -6.4992 -4.1225 -4.1203 -0.3858 -0.3853 1.6349 1.6414 1.6624 1.6674 2.4552 2.4630 2.5724 2.5828 2.7983 2.8162 3.0301 3.0422 3.3029 3.3130 3.9683 3.9898 4.1899 4.2032 4.2472 4.2817 4.5947 4.6174 6.3561 6.3624 7.2322 7.2350 7.3182 7.3254 k = 0.4403 0.5071 0.0906 ( 4226 PWs) bands (ev): -9.5670 -9.5551 -9.4932 -9.4875 -8.8807 -8.8490 -8.6393 -8.6336 -8.6308 -8.6222 -7.5867 -7.5646 -7.1617 -7.1569 -6.6239 -6.6169 -6.5039 -6.4927 -4.1063 -4.1039 -0.3739 -0.3733 1.5915 1.5985 1.6281 1.6334 2.4466 2.4577 2.5479 2.5538 2.7825 2.7997 3.0320 3.0439 3.3690 3.3771 3.9586 3.9826 4.1770 4.1897 4.2622 4.2969 4.6393 4.6619 6.3769 6.3842 7.2309 7.2343 7.3449 7.3530 k = 0.4317 0.5168 0.1035 ( 4224 PWs) bands (ev): -9.5675 -9.5542 -9.4939 -9.4876 -8.8827 -8.8472 -8.6403 -8.6339 -8.6309 -8.6211 -7.5802 -7.5556 -7.1570 -7.1520 -6.6512 -6.6430 -6.4979 -6.4853 -4.0885 -4.0859 -0.3606 -0.3599 1.5459 1.5531 1.5925 1.5981 2.4294 2.4439 2.5252 2.5292 2.7637 2.7804 3.0353 3.0469 3.4376 3.4438 3.9484 3.9749 4.1634 4.1753 4.2834 4.3177 4.6858 4.7082 6.3998 6.4079 7.2293 7.2334 7.3737 7.3825 k = 0.4232 0.5265 0.1164 ( 4224 PWs) bands (ev): -9.5679 -9.5532 -9.4947 -9.4878 -8.8846 -8.8455 -8.6413 -8.6342 -8.6310 -8.6201 -7.5728 -7.5459 -7.1519 -7.1470 -6.6804 -6.6709 -6.4909 -6.4771 -4.0695 -4.0667 -0.3462 -0.3454 1.4987 1.5061 1.5565 1.5624 2.4030 2.4190 2.5059 2.5112 2.7420 2.7584 3.0397 3.0509 3.5076 3.5123 3.9380 3.9668 4.1495 4.1608 4.3109 4.3444 4.7334 4.7557 6.4242 6.4333 7.2275 7.2323 7.4036 7.4132 k = 0.4146 0.5362 0.1294 ( 4224 PWs) bands (ev): -9.5683 -9.5523 -9.4955 -9.4881 -8.8864 -8.8440 -8.6422 -8.6344 -8.6311 -8.6191 -7.5645 -7.5357 -7.1468 -7.1421 -6.7110 -6.7001 -6.4831 -6.4680 -4.0495 -4.0466 -0.3309 -0.3300 1.4509 1.4582 1.5209 1.5271 2.3694 2.3847 2.4906 2.4961 2.7175 2.7337 3.0445 3.0551 3.5777 3.5818 3.9275 3.9587 4.1363 4.1467 4.3442 4.3766 4.7815 4.8038 6.4497 6.4596 7.2254 7.2310 7.4340 7.4441 k = 0.4061 0.5459 0.1423 ( 4226 PWs) bands (ev): -9.5685 -9.5514 -9.4963 -9.4885 -8.8880 -8.8426 -8.6430 -8.6346 -8.6313 -8.6181 -7.5557 -7.5253 -7.1419 -7.1376 -6.7422 -6.7296 -6.4744 -6.4581 -4.0290 -4.0260 -0.3150 -0.3141 1.4029 1.4102 1.4863 1.4928 2.3309 2.3447 2.4767 2.4817 2.6906 2.7066 3.0493 3.0590 3.6460 3.6515 3.9174 3.9509 4.1248 4.1341 4.3829 4.4140 4.8296 4.8521 6.4758 6.4866 7.2230 7.2296 7.4637 7.4745 k = 0.3976 0.5557 0.1552 ( 4232 PWs) bands (ev): -9.5687 -9.5506 -9.4971 -9.4889 -8.8895 -8.8414 -8.6438 -8.6348 -8.6316 -8.6173 -7.5463 -7.5148 -7.1378 -7.1338 -6.7733 -6.7587 -6.4649 -6.4475 -4.0081 -4.0051 -0.2988 -0.2978 1.3553 1.3626 1.4535 1.4602 2.2893 2.3017 2.4622 2.4664 2.6618 2.6776 3.0535 3.0621 3.7110 3.7199 3.9080 3.9439 4.1163 4.1241 4.4261 4.4557 4.8774 4.9001 6.5021 6.5137 7.2204 7.2279 7.4920 7.5033 k = 0.3890 0.5654 0.1682 ( 4239 PWs) bands (ev): -9.5688 -9.5498 -9.4979 -9.4894 -8.8909 -8.8403 -8.6445 -8.6350 -8.6319 -8.6165 -7.5368 -7.5046 -7.1352 -7.1309 -6.8033 -6.7861 -6.4546 -6.4361 -3.9873 -3.9842 -0.2825 -0.2814 1.3086 1.3157 1.4227 1.4296 2.2458 2.2569 2.4463 2.4499 2.6315 2.6471 3.0565 3.0639 3.7709 3.7847 3.8994 3.9378 4.1129 4.1186 4.4730 4.5010 4.9246 4.9476 6.5281 6.5404 7.2176 7.2260 7.5180 7.5298 k = 0.3805 0.5751 0.1811 ( 4237 PWs) bands (ev): -9.5688 -9.5490 -9.4986 -9.4899 -8.8921 -8.8394 -8.6451 -8.6352 -8.6322 -8.6157 -7.5275 -7.4952 -7.1346 -7.1293 -6.8309 -6.8108 -6.4435 -6.4241 -3.9668 -3.9637 -0.2665 -0.2653 1.2631 1.2700 1.3943 1.4015 2.2011 2.2113 2.4288 2.4320 2.6001 2.6154 3.0578 3.0641 3.8225 3.8427 3.8922 3.9332 4.1161 4.1214 4.5226 4.5489 4.9711 4.9945 6.5535 6.5665 7.2145 7.2239 7.5408 7.5531 k = 0.3720 0.5848 0.1941 ( 4237 PWs) bands (ev): -9.5687 -9.5482 -9.4994 -9.4905 -8.8931 -8.8387 -8.6456 -8.6353 -8.6326 -8.6150 -7.5189 -7.4874 -7.1365 -7.1298 -6.8548 -6.8314 -6.4318 -6.4115 -3.9469 -3.9438 -0.2511 -0.2498 1.2191 1.2258 1.3687 1.3761 2.1558 2.1654 2.4096 2.4129 2.5679 2.5829 3.0570 3.0625 3.8621 3.8813 3.8953 3.9313 4.1277 4.1366 4.5739 4.5984 5.0170 5.0406 6.5780 6.5916 7.2113 7.2217 7.5597 7.5725 k = 0.3634 0.5945 0.2070 ( 4237 PWs) bands (ev): -9.5685 -9.5475 -9.5001 -9.4912 -8.8939 -8.8381 -8.6460 -8.6354 -8.6329 -8.6144 -7.5116 -7.4818 -7.1407 -7.1329 -6.8737 -6.8471 -6.4194 -6.3983 -3.9278 -3.9248 -0.2365 -0.2350 1.1769 1.1834 1.3459 1.3534 2.1106 2.1198 2.3890 2.3927 2.5355 2.5503 3.0538 3.0589 3.8761 3.8910 3.9208 3.9393 4.1508 4.1642 4.6258 4.6484 5.0624 5.0860 6.6015 6.6156 7.2078 7.2192 7.5741 7.5874 k = 0.3549 0.6043 0.2199 ( 4239 PWs) bands (ev): -9.5683 -9.5468 -9.5008 -9.4919 -8.8946 -8.8377 -8.6464 -8.6356 -8.6333 -8.6139 -7.5066 -7.4796 -7.1465 -7.1384 -6.8867 -6.8572 -6.4063 -6.3845 -3.9097 -3.9068 -0.2229 -0.2213 1.1367 1.1430 1.3259 1.3336 2.0658 2.0749 2.3671 2.3714 2.5035 2.5181 3.0478 3.0532 3.8724 3.9022 3.9316 3.9591 4.1847 4.2011 4.6773 4.6976 5.1076 5.1309 6.6238 6.6384 7.2041 7.2166 7.5835 7.5972 k = 0.3464 0.6140 0.2329 ( 4235 PWs) bands (ev): -9.5679 -9.5462 -9.5015 -9.4926 -8.8951 -8.8375 -8.6466 -8.6359 -8.6335 -8.6134 -7.5049 -7.4819 -7.1528 -7.1452 -6.8934 -6.8620 -6.3927 -6.3702 -3.8929 -3.8901 -0.2106 -0.2088 1.0987 1.1047 1.3085 1.3164 2.0218 2.0311 2.3440 2.3489 2.4727 2.4871 3.0389 3.0452 3.8686 3.9045 3.9434 3.9756 4.2247 4.2426 4.7273 4.7452 5.1529 5.1757 6.6451 6.6600 7.2004 7.2139 7.5877 7.6018 k = 0.3464 0.6140 0.2329 ( 4235 PWs) bands (ev): -9.5679 -9.5462 -9.5015 -9.4926 -8.8951 -8.8375 -8.6466 -8.6359 -8.6335 -8.6134 -7.5049 -7.4819 -7.1528 -7.1452 -6.8934 -6.8620 -6.3927 -6.3702 -3.8929 -3.8901 -0.2106 -0.2088 1.0987 1.1047 1.3085 1.3164 2.0218 2.0311 2.3440 2.3489 2.4727 2.4871 3.0389 3.0452 3.8686 3.9045 3.9434 3.9756 4.2247 4.2426 4.7273 4.7452 5.1529 5.1757 6.6451 6.6600 7.2004 7.2139 7.5877 7.6018 k = 0.3299 0.6088 0.2398 ( 4239 PWs) bands (ev): -9.5677 -9.5459 -9.5019 -9.4930 -8.8952 -8.8375 -8.6468 -8.6361 -8.6336 -8.6132 -7.5083 -7.4876 -7.1555 -7.1480 -6.8923 -6.8600 -6.3851 -6.3623 -3.8845 -3.8818 -0.2041 -0.2022 1.0783 1.0843 1.2990 1.3069 1.9983 2.0075 2.3290 2.3357 2.4584 2.4730 3.0345 3.0414 3.8644 3.9015 3.9502 3.9829 4.2448 4.2631 4.7562 4.7727 5.1782 5.2004 6.6561 6.6710 7.1998 7.2138 7.5876 7.6018 k = 0.3134 0.6035 0.2468 ( 4238 PWs) bands (ev): -9.5673 -9.5456 -9.5023 -9.4935 -8.8952 -8.8376 -8.6469 -8.6364 -8.6336 -8.6131 -7.5170 -7.4983 -7.1580 -7.1508 -6.8848 -6.8517 -6.3773 -6.3542 -3.8768 -3.8741 -0.1972 -0.1952 1.0571 1.0630 1.2875 1.2953 1.9746 1.9834 2.3105 2.3201 2.4483 2.4634 3.0326 3.0402 3.8560 3.8936 3.9566 3.9890 4.2604 4.2786 4.7894 4.8045 5.2050 5.2266 6.6667 6.6817 7.2018 7.2164 7.5855 7.5999 k = 0.2969 0.5983 0.2537 ( 4236 PWs) bands (ev): -9.5669 -9.5453 -9.5027 -9.4941 -8.8952 -8.8378 -8.6469 -8.6367 -8.6335 -8.6130 -7.5297 -7.5125 -7.1619 -7.1548 -6.8708 -6.8371 -6.3694 -6.3459 -3.8697 -3.8671 -0.1898 -0.1878 1.0353 1.0410 1.2736 1.2812 1.9510 1.9591 2.2900 2.3024 2.4424 2.4582 3.0334 3.0415 3.8443 3.8821 3.9615 3.9935 4.2718 4.2897 4.8252 4.8390 5.2335 5.2542 6.6772 6.6922 7.2061 7.2215 7.5816 7.5960 k = 0.2804 0.5931 0.2607 ( 4234 PWs) bands (ev): -9.5663 -9.5450 -9.5031 -9.4946 -8.8949 -8.8382 -8.6470 -8.6371 -8.6334 -8.6130 -7.5448 -7.5289 -7.1679 -7.1607 -6.8512 -6.8170 -6.3615 -6.3377 -3.8633 -3.8607 -0.1821 -0.1800 1.0129 1.0185 1.2571 1.2644 1.9275 1.9348 2.2691 2.2842 2.4403 2.4569 3.0369 3.0455 3.8298 3.8678 3.9645 3.9958 4.2799 4.2974 4.8613 4.8740 5.2636 5.2834 6.6878 6.7027 7.2127 7.2286 7.5761 7.5904 k = 0.2639 0.5879 0.2676 ( 4235 PWs) bands (ev): -9.5657 -9.5447 -9.5035 -9.4953 -8.8946 -8.8388 -8.6470 -8.6374 -8.6332 -8.6131 -7.5614 -7.5466 -7.1758 -7.1683 -6.8272 -6.7926 -6.3535 -6.3294 -3.8575 -3.8550 -0.1739 -0.1717 0.9901 0.9956 1.2378 1.2447 1.9042 1.9107 2.2495 2.2670 2.4413 2.4585 3.0428 3.0518 3.8130 3.8512 3.9652 3.9958 4.2860 4.3028 4.8956 4.9075 5.2955 5.3141 6.6988 6.7135 7.2210 7.2377 7.5690 7.5833 k = 0.2474 0.5826 0.2746 ( 4231 PWs) bands (ev): -9.5650 -9.5445 -9.5039 -9.4959 -8.8940 -8.8395 -8.6470 -8.6378 -8.6331 -8.6133 -7.5787 -7.5648 -7.1851 -7.1774 -6.8000 -6.7653 -6.3457 -6.3213 -3.8524 -3.8500 -0.1653 -0.1630 0.9669 0.9723 1.2157 1.2223 1.8808 1.8869 2.2326 2.2525 2.4446 2.4626 3.0508 3.0602 3.7942 3.8325 3.9637 3.9933 4.2910 4.3070 4.9264 4.9377 5.3292 5.3463 6.7104 6.7248 7.2309 7.2482 7.5607 7.5749 k = 0.2309 0.5774 0.2815 ( 4233 PWs) bands (ev): -9.5642 -9.5443 -9.5043 -9.4966 -8.8933 -8.8404 -8.6469 -8.6381 -8.6329 -8.6136 -7.5960 -7.5830 -7.1953 -7.1874 -6.7707 -6.7361 -6.3379 -6.3135 -3.8480 -3.8456 -0.1561 -0.1539 0.9434 0.9485 1.1913 1.1974 1.8573 1.8636 2.2196 2.2415 2.4498 2.4684 3.0605 3.0702 3.7736 3.8120 3.9600 3.9886 4.2958 4.3109 4.9523 4.9634 5.3643 5.3800 6.7228 6.7368 7.2420 7.2600 7.5513 7.5655 k = 0.2144 0.5722 0.2885 ( 4229 PWs) bands (ev): -9.5633 -9.5441 -9.5047 -9.4973 -8.8925 -8.8415 -8.6467 -8.6384 -8.6327 -8.6139 -7.6131 -7.6008 -7.2059 -7.1979 -6.7404 -6.7061 -6.3304 -6.3059 -3.8442 -3.8419 -0.1465 -0.1442 0.9195 0.9244 1.1650 1.1706 1.8339 1.8407 2.2109 2.2346 2.4565 2.4757 3.0716 3.0816 3.7516 3.7899 3.9543 3.9818 4.3010 4.3151 4.9726 4.9836 5.4005 5.4147 6.7362 6.7497 7.2541 7.2727 7.5412 7.5552 k = 0.1979 0.5670 0.2955 ( 4233 PWs) bands (ev): -9.5624 -9.5440 -9.5051 -9.4980 -8.8915 -8.8427 -8.6466 -8.6388 -8.6325 -8.6144 -7.6295 -7.6180 -7.2165 -7.2086 -6.7098 -6.6760 -6.3232 -6.2987 -3.8409 -3.8388 -0.1364 -0.1341 0.8953 0.8999 1.1373 1.1424 1.8110 1.8184 2.2068 2.2318 2.4642 2.4839 3.0836 3.0940 3.7285 3.7666 3.9470 3.9732 4.3069 4.3199 4.9870 4.9979 5.4371 5.4499 6.7506 6.7634 7.2667 7.2860 7.5304 7.5444 k = 0.1814 0.5617 0.3024 ( 4231 PWs) bands (ev): -9.5614 -9.5440 -9.5054 -9.4987 -8.8903 -8.8441 -8.6463 -8.6391 -8.6322 -8.6149 -7.6450 -7.6343 -7.2269 -7.2192 -6.6795 -6.6464 -6.3163 -6.2919 -3.8382 -3.8362 -0.1258 -0.1235 0.8707 0.8750 1.1090 1.1136 1.7891 1.7969 2.2071 2.2327 2.4726 2.4928 3.0963 3.1071 3.7045 3.7423 3.9385 3.9632 4.3139 4.3257 4.9959 5.0065 5.4735 5.4849 6.7659 6.7781 7.2797 7.2997 7.5192 7.5332 k = 0.1649 0.5565 0.3094 ( 4226 PWs) bands (ev): -9.5604 -9.5440 -9.5058 -9.4995 -8.8890 -8.8457 -8.6461 -8.6393 -8.6318 -8.6156 -7.6595 -7.6496 -7.2367 -7.2293 -6.6501 -6.6180 -6.3097 -6.2858 -3.8360 -3.8341 -0.1148 -0.1125 0.8459 0.8498 1.0809 1.0850 1.7684 1.7763 2.2111 2.2369 2.4816 2.5019 3.1094 3.1206 3.6801 3.7173 3.9292 3.9523 4.3217 4.3323 4.9997 5.0097 5.5089 5.5190 6.7822 6.7935 7.2928 7.3134 7.5077 7.5218 k = 0.1484 0.5513 0.3163 ( 4227 PWs) bands (ev): -9.5593 -9.5441 -9.5061 -9.5002 -8.8875 -8.8475 -8.6458 -8.6396 -8.6315 -8.6163 -7.6728 -7.6638 -7.2459 -7.2390 -6.6220 -6.5912 -6.3036 -6.2803 -3.8342 -3.8324 -0.1034 -0.1012 0.8210 0.8245 1.0536 1.0572 1.7494 1.7572 2.2182 2.2437 2.4908 2.5110 3.1226 3.1342 3.6557 3.6920 3.9196 3.9410 4.3304 4.3398 4.9990 5.0084 5.5426 5.5516 6.7990 6.8094 7.3056 7.3270 7.4959 7.5104 k = 0.1319 0.5460 0.3233 ( 4227 PWs) bands (ev): -9.5581 -9.5443 -9.5063 -9.5009 -8.8859 -8.8494 -8.6454 -8.6399 -8.6310 -8.6171 -7.6849 -7.6768 -7.2543 -7.2479 -6.5956 -6.5664 -6.2979 -6.2755 -3.8328 -3.8312 -0.0919 -0.0898 0.7961 0.7992 1.0279 1.0311 1.7323 1.7397 2.2275 2.2521 2.4999 2.5197 3.1358 3.1477 3.6316 3.6668 3.9100 3.9295 4.3398 4.3480 4.9946 5.0033 5.5741 5.5819 6.8161 6.8256 7.3181 7.3402 7.4841 7.4990 k = 0.1155 0.5408 0.3302 ( 4223 PWs) bands (ev): -9.5570 -9.5446 -9.5065 -9.5016 -8.8841 -8.8515 -8.6450 -8.6401 -8.6305 -8.6179 -7.6956 -7.6884 -7.2618 -7.2561 -6.5711 -6.5439 -6.2927 -6.2715 -3.8317 -3.8303 -0.0804 -0.0784 0.7718 0.7745 1.0044 1.0071 1.7172 1.7240 2.2384 2.2616 2.5089 2.5278 3.1487 3.1609 3.6085 3.6420 3.9008 3.9183 4.3496 4.3566 4.9876 4.9953 5.6027 5.6094 6.8331 6.8417 7.3300 7.3529 7.4722 7.4879 k = 0.0990 0.5356 0.3372 ( 4228 PWs) bands (ev): -9.5558 -9.5450 -9.5066 -9.5024 -8.8822 -8.8537 -8.6446 -8.6404 -8.6299 -8.6188 -7.7049 -7.6987 -7.2684 -7.2634 -6.5489 -6.5242 -6.2878 -6.2683 -3.8309 -3.8297 -0.0692 -0.0674 0.7486 0.7508 0.9834 0.9856 1.7043 1.7103 2.2500 2.2712 2.5174 2.5351 3.1612 3.1733 3.5868 3.6180 3.8923 3.9077 4.3595 4.3654 4.9787 4.9854 5.6282 5.6339 6.8495 6.8571 7.3413 7.3649 7.4604 7.4771 k = 0.0825 0.5304 0.3441 ( 4228 PWs) bands (ev): -9.5547 -9.5454 -9.5067 -9.5030 -8.8801 -8.8559 -8.6442 -8.6407 -8.6293 -8.6198 -7.7128 -7.7075 -7.2740 -7.2697 -6.5291 -6.5074 -6.2834 -6.2660 -3.8303 -3.8293 -0.0586 -0.0570 0.7271 0.7289 0.9653 0.9671 1.6935 1.6987 2.2616 2.2803 2.5254 2.5412 3.1730 3.1847 3.5673 3.5955 3.8849 3.8980 4.3691 4.3739 4.9691 4.9746 5.6502 5.6549 6.8648 6.8713 7.3518 7.3761 7.4488 7.4667 k = 0.0660 0.5251 0.3511 ( 4238 PWs) bands (ev): -9.5535 -9.5460 -9.5066 -9.5037 -8.8779 -8.8583 -8.6438 -8.6410 -8.6285 -8.6208 -7.7191 -7.7149 -7.2785 -7.2750 -6.5121 -6.4938 -6.2794 -6.2646 -3.8299 -3.8291 -0.0491 -0.0477 0.7080 0.7094 0.9504 0.9518 1.6849 1.6891 2.2725 2.2883 2.5326 2.5461 3.1839 3.1946 3.5506 3.5750 3.8788 3.8895 4.3780 4.3818 4.9595 4.9640 5.6685 5.6723 6.8784 6.8838 7.3616 7.3866 7.4375 7.4569 k = 0.0495 0.5199 0.3580 ( 4240 PWs) bands (ev): -9.5524 -9.5467 -9.5065 -9.5043 -8.8756 -8.8608 -8.6434 -8.6413 -8.6277 -8.6219 -7.7240 -7.7208 -7.2820 -7.2793 -6.4980 -6.4837 -6.2757 -6.2641 -3.8296 -3.8290 -0.0410 -0.0399 0.6922 0.6932 0.9387 0.9397 1.6784 1.6816 2.2822 2.2945 2.5388 2.5495 3.1936 3.2026 3.5375 3.5570 3.8742 3.8823 4.3856 4.3885 4.9511 4.9544 5.6831 5.6859 6.8898 6.8940 7.3709 7.3963 7.4267 7.4476 k = 0.0330 0.5147 0.3650 ( 4239 PWs) bands (ev): -9.5513 -9.5474 -9.5063 -9.5048 -8.8732 -8.8633 -8.6430 -8.6416 -8.6269 -8.6229 -7.7273 -7.7252 -7.2843 -7.2825 -6.4869 -6.4771 -6.2725 -6.2645 -3.8294 -3.8289 -0.0348 -0.0340 0.6804 0.6810 0.9303 0.9310 1.6740 1.6761 2.2902 2.2986 2.5440 2.5514 3.2016 3.2082 3.5286 3.5424 3.8712 3.8767 4.3916 4.3935 4.9445 4.9467 5.6936 5.6955 6.8986 6.9015 7.3798 7.4053 7.4164 7.4388 k = 0.0165 0.5095 0.3720 ( 4237 PWs) bands (ev): -9.5502 -9.5483 -9.5061 -9.5053 -8.8708 -8.8658 -8.6426 -8.6419 -8.6259 -8.6239 -7.7291 -7.7280 -7.2856 -7.2847 -6.4792 -6.4742 -6.2696 -6.2655 -3.8292 -3.8290 -0.0308 -0.0304 0.6731 0.6734 0.9253 0.9257 1.6715 1.6726 2.2960 2.3003 2.5480 2.5518 3.2074 3.2109 3.5246 3.5317 3.8699 3.8726 4.3956 4.3966 4.9405 4.9416 5.7002 5.7011 6.9044 6.9058 7.3885 7.4066 7.4140 7.4304 k = 0.0000 0.5042 0.3789 ( 4242 PWs) bands (ev): -9.5492 -9.5492 -9.5057 -9.5057 -8.8683 -8.8683 -8.6422 -8.6422 -8.6249 -8.6249 -7.7293 -7.7293 -7.2857 -7.2857 -6.4749 -6.4749 -6.2673 -6.2673 -3.8291 -3.8291 -0.0293 -0.0293 0.6707 0.6707 0.9238 0.9238 1.6711 1.6711 2.2995 2.2995 2.5506 2.5506 3.2106 3.2106 3.5256 3.5256 3.8704 3.8704 4.3973 4.3973 4.9395 4.9395 5.7027 5.7027 6.9068 6.9068 7.3974 7.3974 7.4222 7.4222 k = 0.0000 0.5042 0.3789 ( 4242 PWs) bands (ev): -9.5492 -9.5492 -9.5057 -9.5057 -8.8683 -8.8683 -8.6422 -8.6422 -8.6249 -8.6249 -7.7293 -7.7293 -7.2857 -7.2857 -6.4749 -6.4749 -6.2673 -6.2673 -3.8291 -3.8291 -0.0293 -0.0293 0.6707 0.6707 0.9238 0.9238 1.6711 1.6711 2.2995 2.2995 2.5506 2.5506 3.2106 3.2106 3.5256 3.5256 3.8704 3.8704 4.3973 4.3973 4.9395 4.9395 5.7027 5.7027 6.9068 6.9068 7.3974 7.3974 7.4222 7.4222 k = 0.0086 0.4944 0.3920 ( 4242 PWs) bands (ev): -9.5494 -9.5491 -9.5060 -9.5055 -8.8689 -8.8677 -8.6428 -8.6416 -8.6253 -8.6246 -7.7299 -7.7274 -7.2859 -7.2843 -6.4762 -6.4755 -6.2680 -6.2678 -3.8295 -3.8292 -0.0315 -0.0312 0.6689 0.6703 0.9276 0.9298 1.6692 1.6702 2.2948 2.2990 2.5513 2.5555 3.2078 3.2149 3.5218 3.5271 3.8724 3.8779 4.3967 4.3978 4.9387 4.9399 5.6989 5.7001 6.9022 6.9028 7.3979 7.4016 7.4231 7.4260 k = 0.0172 0.4846 0.4050 ( 4232 PWs) bands (ev): -9.5496 -9.5489 -9.5063 -9.5053 -8.8696 -8.8672 -8.6433 -8.6410 -8.6257 -8.6243 -7.7290 -7.7241 -7.2851 -7.2819 -6.4794 -6.4779 -6.2698 -6.2694 -3.8306 -3.8300 -0.0378 -0.0371 0.6655 0.6680 0.9409 0.9450 1.6649 1.6668 2.2852 2.2933 2.5577 2.5657 3.2065 3.2204 3.5164 3.5261 3.8837 3.8939 4.3961 4.3982 4.9376 4.9399 5.6891 5.6914 6.8893 6.8905 7.4027 7.4104 7.4285 7.4345 k = 0.0259 0.4748 0.4181 ( 4234 PWs) bands (ev): -9.5498 -9.5489 -9.5066 -9.5051 -8.8703 -8.8668 -8.6438 -8.6404 -8.6260 -8.6239 -7.7267 -7.7194 -7.2832 -7.2784 -6.4844 -6.4821 -6.2727 -6.2722 -3.8322 -3.8313 -0.0477 -0.0468 0.6611 0.6646 0.9623 0.9681 1.6586 1.6611 2.2713 2.2829 2.5695 2.5808 3.2066 3.2269 3.5108 3.5237 3.9034 3.9169 4.3955 4.3987 4.9361 4.9395 5.6734 5.6769 6.8688 6.8707 7.4114 7.4232 7.4379 7.4472 k = 0.0345 0.4650 0.4312 ( 4232 PWs) bands (ev): -9.5500 -9.5488 -9.5070 -9.5049 -8.8711 -8.8664 -8.6443 -8.6397 -8.6264 -8.6236 -7.7229 -7.7133 -7.2803 -7.2738 -6.4912 -6.4882 -6.2768 -6.2762 -3.8344 -3.8331 -0.0610 -0.0598 0.6568 0.6610 0.9902 0.9973 1.6508 1.6537 2.2536 2.2683 2.5861 2.6001 3.2079 3.2339 3.5065 3.5210 3.9296 3.9449 4.3949 4.3992 4.9339 4.9385 5.6525 5.6572 6.8420 6.8443 7.4233 7.4393 7.4508 7.4636 k = 0.0431 0.4551 0.4442 ( 4230 PWs) bands (ev): -9.5503 -9.5488 -9.5074 -9.5048 -8.8720 -8.8661 -8.6446 -8.6391 -8.6267 -8.6233 -7.7178 -7.7058 -7.2762 -7.2683 -6.4997 -6.4960 -6.2820 -6.2812 -3.8370 -3.8355 -0.0771 -0.0757 0.6528 0.6577 1.0231 1.0311 1.6424 1.6451 2.2332 2.2505 2.6068 2.6230 3.2102 3.2408 3.5049 3.5198 3.9603 3.9762 4.3945 4.4001 4.9310 4.9367 5.6270 5.6330 6.8097 6.8125 7.4378 7.4576 7.4670 7.4830 k = 0.0517 0.4453 0.4573 ( 4232 PWs) bands (ev): -9.5506 -9.5488 -9.5078 -9.5048 -8.8728 -8.8659 -8.6450 -8.6384 -8.6271 -8.6230 -7.7113 -7.6971 -7.2712 -7.2617 -6.5100 -6.5056 -6.2884 -6.2873 -3.8401 -3.8383 -0.0954 -0.0938 0.6494 0.6551 1.0594 1.0681 1.6340 1.6362 2.2111 2.2306 2.6308 2.6487 3.2129 3.2472 3.5069 3.5211 3.9937 4.0091 4.3944 4.4015 4.9270 4.9340 5.5979 5.6052 6.7731 6.7762 7.4544 7.4767 7.4866 7.5047 k = 0.0603 0.4355 0.4704 ( 4230 PWs) bands (ev): -9.5508 -9.5488 -9.5082 -9.5047 -8.8737 -8.8658 -8.6453 -8.6377 -8.6274 -8.6228 -7.7033 -7.6870 -7.2651 -7.2542 -6.5220 -6.5169 -6.2957 -6.2945 -3.8436 -3.8416 -0.1154 -0.1136 0.6465 0.6531 1.0977 1.1070 1.6262 1.6277 2.1885 2.2102 2.6573 2.6765 3.2158 3.2525 3.5132 3.5260 4.0279 4.0421 4.3949 4.4038 4.9217 4.9299 5.5662 5.5748 6.7330 6.7364 7.4724 7.4959 7.5093 7.5282 k = 0.0690 0.4257 0.4834 ( 4232 PWs) bands (ev): -9.5511 -9.5489 -9.5086 -9.5047 -8.8746 -8.8657 -8.6455 -8.6371 -8.6277 -8.6226 -7.6940 -7.6757 -7.2580 -7.2458 -6.5356 -6.5298 -6.3042 -6.3027 -3.8474 -3.8452 -0.1365 -0.1347 0.6439 0.6514 1.1366 1.1463 1.6192 1.6208 2.1670 2.1906 2.6856 2.7057 3.2183 3.2562 3.5242 3.5353 4.0612 4.0736 4.3962 4.4074 4.9148 4.9242 5.5328 5.5429 6.6901 6.6938 7.4914 7.5152 7.5342 7.5529 k = 0.0776 0.4159 0.4965 ( 4232 PWs) bands (ev): -9.5514 -9.5490 -9.5090 -9.5048 -8.8755 -8.8657 -8.6457 -8.6365 -8.6280 -8.6224 -7.6834 -7.6632 -7.2500 -7.2365 -6.5507 -6.5442 -6.3136 -6.3118 -3.8515 -3.8490 -0.1583 -0.1564 0.6414 0.6499 1.1746 1.1846 1.6134 1.6164 2.1480 2.1736 2.7149 2.7357 3.2201 3.2581 3.5399 3.5494 4.0920 4.1024 4.3989 4.4126 4.9058 4.9165 5.4990 5.5105 6.6449 6.6488 7.5112 7.5348 7.5603 7.5786 k = 0.0862 0.4061 0.5096 ( 4230 PWs) bands (ev): -9.5517 -9.5491 -9.5095 -9.5049 -8.8764 -8.8658 -8.6458 -8.6359 -8.6283 -8.6222 -7.6715 -7.6495 -7.2412 -7.2265 -6.5672 -6.5601 -6.3240 -6.3220 -3.8557 -3.8531 -0.1804 -0.1783 0.6387 0.6481 1.2098 1.2201 1.6099 1.6152 2.1331 2.1606 2.7448 2.7660 3.2210 3.2583 3.5600 3.5682 4.1186 4.1273 4.4033 4.4198 4.8945 4.9064 5.4658 5.4789 6.5980 6.6021 7.5315 7.5546 7.5871 7.6048 k = 0.0948 0.3962 0.5226 ( 4232 PWs) bands (ev): -9.5520 -9.5492 -9.5099 -9.5050 -8.8773 -8.8659 -8.6459 -8.6353 -8.6286 -8.6221 -7.6584 -7.6346 -7.2315 -7.2157 -6.5851 -6.5773 -6.3352 -6.3330 -3.8601 -3.8574 -0.2023 -0.2002 0.6356 0.6460 1.2399 1.2507 1.6102 1.6181 2.1237 2.1533 2.7746 2.7959 3.2208 3.2567 3.5842 3.5918 4.1394 4.1478 4.4096 4.4292 4.8807 4.8936 5.4344 5.4489 6.5499 6.5541 7.5522 7.5748 7.6143 7.6313 k = 0.1034 0.3864 0.5357 ( 4236 PWs) bands (ev): -9.5523 -9.5494 -9.5103 -9.5051 -8.8782 -8.8661 -8.6459 -8.6347 -8.6288 -8.6220 -7.6440 -7.6187 -7.2211 -7.2043 -6.6042 -6.5957 -6.3473 -6.3448 -3.8646 -3.8618 -0.2238 -0.2217 0.6319 0.6433 1.2624 1.2741 1.6160 1.6267 2.1211 2.1525 2.8041 2.8252 3.2194 3.2535 3.6118 3.6196 4.1536 4.1632 4.4179 4.4404 4.8642 4.8780 5.4057 5.4214 6.5008 6.5051 7.5733 7.5952 7.6413 7.6577 k = 0.1121 0.3766 0.5488 ( 4232 PWs) bands (ev): -9.5526 -9.5496 -9.5107 -9.5052 -8.8791 -8.8663 -8.6458 -8.6342 -8.6290 -8.6219 -7.6285 -7.6017 -7.2101 -7.1923 -6.6244 -6.6153 -6.3602 -6.3574 -3.8691 -3.8661 -0.2447 -0.2425 0.6278 0.6401 1.2752 1.2882 1.6291 1.6423 2.1259 2.1591 2.8327 2.8535 3.2169 3.2490 3.6425 3.6510 4.1617 4.1730 4.4278 4.4528 4.8452 4.8598 5.3804 5.3971 6.4512 6.4556 7.5946 7.6160 7.6680 7.6838 k = 0.1207 0.3668 0.5618 ( 4228 PWs) bands (ev): -9.5528 -9.5498 -9.5111 -9.5054 -8.8800 -8.8665 -8.6458 -8.6337 -8.6292 -8.6219 -7.6119 -7.5838 -7.1985 -7.1799 -6.6456 -6.6358 -6.3737 -6.3706 -3.8735 -3.8705 -0.2647 -0.2625 0.6234 0.6364 1.2772 1.2917 1.6503 1.6656 2.1383 2.1730 2.8602 2.8805 3.2132 3.2433 3.6759 3.6850 4.1642 4.1772 4.4382 4.4650 4.8241 4.8394 5.3588 5.3764 6.4015 6.4059 7.6162 7.6371 7.6941 7.7094 k = 0.1293 0.3570 0.5749 ( 4232 PWs) bands (ev): -9.5530 -9.5501 -9.5115 -9.5056 -8.8808 -8.8668 -8.6456 -8.6333 -8.6294 -8.6219 -7.5943 -7.5650 -7.1866 -7.1672 -6.6676 -6.6572 -6.3878 -6.3844 -3.8778 -3.8747 -0.2836 -0.2815 0.6187 0.6323 1.2693 1.2849 1.6793 1.6962 2.1581 2.1940 2.8863 2.9059 3.2083 3.2363 3.7113 3.7211 4.1623 4.1765 4.4478 4.4759 4.8018 4.8176 5.3410 5.3592 6.3520 6.3564 7.6381 7.6586 7.7193 7.7341 k = 0.1379 0.3471 0.5880 ( 4222 PWs) bands (ev): -9.5533 -9.5503 -9.5119 -9.5058 -8.8816 -8.8671 -8.6455 -8.6328 -8.6296 -8.6219 -7.5758 -7.5454 -7.1743 -7.1543 -6.6902 -6.6791 -6.4023 -6.3987 -3.8819 -3.8788 -0.3015 -0.2994 0.6139 0.6281 1.2533 1.2696 1.7146 1.7326 2.1845 2.2213 2.9106 2.9295 3.2021 3.2282 3.7483 3.7585 4.1567 4.1717 4.4556 4.4842 4.7790 4.7952 5.3269 5.3453 6.3031 6.3074 7.6601 7.6803 7.7435 7.7579 k = 0.1466 0.3373 0.6010 ( 4222 PWs) bands (ev): -9.5535 -9.5506 -9.5122 -9.5061 -8.8824 -8.8674 -8.6453 -8.6325 -8.6297 -8.6220 -7.5565 -7.5251 -7.1620 -7.1415 -6.7132 -6.7013 -6.4171 -6.4133 -3.8859 -3.8828 -0.3182 -0.3162 0.6094 0.6241 1.2312 1.2479 1.7545 1.7732 2.2164 2.2541 2.9328 2.9509 3.1945 3.2187 3.7862 3.7963 4.1486 4.1640 4.4604 4.4888 4.7570 4.7734 5.3160 5.3344 6.2553 6.2594 7.6822 7.7021 7.7665 7.7806 k = 0.1552 0.3275 0.6141 ( 4222 PWs) bands (ev): -9.5537 -9.5508 -9.5125 -9.5063 -8.8831 -8.8678 -8.6450 -8.6322 -8.6298 -8.6220 -7.5366 -7.5043 -7.1499 -7.1288 -6.7363 -6.7237 -6.4321 -6.4281 -3.8896 -3.8865 -0.3336 -0.3317 0.6054 0.6203 1.2051 1.2217 1.7972 1.8165 2.2529 2.2913 2.9526 2.9700 3.1856 3.2080 3.8240 3.8339 4.1391 4.1543 4.4618 4.4891 4.7367 4.7530 5.3078 5.3261 6.2088 6.2127 7.7042 7.7238 7.7881 7.8021 k = 0.1638 0.3177 0.6272 ( 4228 PWs) bands (ev): -9.5538 -9.5511 -9.5128 -9.5065 -8.8837 -8.8681 -8.6448 -8.6320 -8.6299 -8.6221 -7.5162 -7.4830 -7.1381 -7.1167 -6.7593 -6.7458 -6.4471 -6.4430 -3.8930 -3.8900 -0.3478 -0.3459 0.6020 0.6172 1.1767 1.1929 1.8414 1.8612 2.2930 2.3319 2.9695 2.9865 3.1751 3.1957 3.8607 3.8701 4.1296 4.1442 4.4595 4.4848 4.7186 4.7345 5.3018 5.3198 6.1642 6.1679 7.7257 7.7453 7.8084 7.8221 k = 0.1724 0.3079 0.6402 ( 4226 PWs) bands (ev): -9.5539 -9.5514 -9.5131 -9.5067 -8.8843 -8.8684 -8.6445 -8.6318 -8.6299 -8.6222 -7.4954 -7.4616 -7.1269 -7.1054 -6.7819 -6.7673 -6.4619 -6.4577 -3.8962 -3.8932 -0.3606 -0.3588 0.5995 0.6147 1.1471 1.1628 1.8859 1.9062 2.3356 2.3753 2.9831 3.0000 3.1631 3.1820 3.8947 3.9041 4.1219 4.1351 4.4538 4.4763 4.7030 4.7179 5.2975 5.3151 6.1219 6.1253 7.7466 7.7661 7.8271 7.8406 k = 0.1810 0.2980 0.6533 ( 4226 PWs) bands (ev): -9.5540 -9.5517 -9.5133 -9.5070 -8.8849 -8.8687 -8.6442 -8.6318 -8.6298 -8.6223 -7.4746 -7.4401 -7.1168 -7.0952 -6.8036 -6.7877 -6.4762 -6.4721 -3.8991 -3.8961 -0.3720 -0.3703 0.5979 0.6130 1.1177 1.1326 1.9294 1.9504 2.3801 2.4204 2.9928 3.0104 3.1496 3.1670 3.9231 3.9348 4.1178 4.1296 4.4453 4.4644 4.6896 4.7031 5.2944 5.3115 6.0825 6.0856 7.7665 7.7860 7.8441 7.8576 k = 0.1897 0.2882 0.6664 ( 4232 PWs) bands (ev): -9.5541 -9.5519 -9.5135 -9.5072 -8.8854 -8.8690 -8.6440 -8.6317 -8.6297 -8.6225 -7.4540 -7.4190 -7.1079 -7.0866 -6.8240 -6.8066 -6.4899 -6.4859 -3.9016 -3.8987 -0.3821 -0.3806 0.5972 0.6122 1.0892 1.1032 1.9711 1.9927 2.4257 2.4667 2.9974 3.0173 3.1341 3.1518 3.9435 3.9608 4.1189 4.1310 4.4345 4.4502 4.6778 4.6898 5.2923 5.3088 6.0463 6.0491 7.7850 7.8046 7.8595 7.8728 k = 0.1983 0.2784 0.6794 ( 4238 PWs) bands (ev): -9.5542 -9.5522 -9.5137 -9.5073 -8.8858 -8.8692 -8.6437 -8.6318 -8.6296 -8.6226 -7.4340 -7.3986 -7.1008 -7.0800 -6.8426 -6.8233 -6.5026 -6.4989 -3.9038 -3.9010 -0.3909 -0.3894 0.5975 0.6122 1.0626 1.0754 2.0099 2.0321 2.4717 2.5134 2.9958 3.0208 3.1164 3.1383 3.9552 3.9798 4.1262 4.1413 4.4220 4.4349 4.6672 4.6775 5.2908 5.3066 6.0138 6.0163 7.8018 7.8216 7.8731 7.8863 k = 0.2069 0.2686 0.6925 ( 4242 PWs) bands (ev): -9.5542 -9.5524 -9.5139 -9.5075 -8.8862 -8.8695 -8.6434 -8.6318 -8.6295 -8.6227 -7.4151 -7.3793 -7.0954 -7.0758 -6.8587 -6.8375 -6.5140 -6.5107 -3.9057 -3.9030 -0.3983 -0.3969 0.5985 0.6129 1.0386 1.0500 2.0448 2.0676 2.5175 2.5596 2.9871 3.0201 3.0971 3.1280 3.9601 3.9909 4.1404 4.1587 4.4082 4.4196 4.6576 4.6663 5.2898 5.3049 5.9855 5.9878 7.8166 7.8365 7.8848 7.8980 k = 0.2155 0.2588 0.7056 ( 4246 PWs) bands (ev): -9.5542 -9.5527 -9.5140 -9.5077 -8.8865 -8.8697 -8.6432 -8.6319 -8.6294 -8.6228 -7.3979 -7.3618 -7.0919 -7.0742 -6.8719 -6.8489 -6.5239 -6.5210 -3.9072 -3.9045 -0.4043 -0.4031 0.6001 0.6140 1.0179 1.0277 2.0749 2.0982 2.5621 2.6044 2.9715 3.0134 3.0795 3.1211 3.9609 3.9960 4.1596 4.1795 4.3935 4.4051 4.6490 4.6562 5.2890 5.3035 5.9618 5.9638 7.8290 7.8490 7.8946 7.9076 k = 0.2241 0.2490 0.7186 ( 4248 PWs) bands (ev): -9.5542 -9.5529 -9.5141 -9.5078 -8.8868 -8.8698 -8.6431 -8.6319 -8.6293 -8.6229 -7.3831 -7.3469 -7.0897 -7.0749 -6.8820 -6.8573 -6.5319 -6.5296 -3.9084 -3.9058 -0.4090 -0.4079 0.6019 0.6153 1.0012 1.0092 2.0992 2.1230 2.6041 2.6460 2.9513 2.9987 3.0674 3.1169 3.9600 3.9979 4.1804 4.2002 4.3790 4.3921 4.6417 4.6475 5.2885 5.3024 5.9430 5.9448 7.8389 7.8590 7.9023 7.9153 k = 0.2328 0.2391 0.7317 ( 4240 PWs) bands (ev): -9.5542 -9.5530 -9.5142 -9.5078 -8.8869 -8.8699 -8.6429 -8.6320 -8.6292 -8.6229 -7.3716 -7.3354 -7.0883 -7.0773 -6.8889 -6.8630 -6.5378 -6.5361 -3.9093 -3.9067 -0.4123 -0.4113 0.6036 0.6165 0.9890 0.9952 2.1172 2.1413 2.6410 2.6815 2.9301 2.9786 3.0611 3.1144 3.9588 3.9983 4.1994 4.2180 4.3659 4.3810 4.6360 4.6406 5.2881 5.3015 5.9294 5.9310 7.8460 7.8663 7.9080 7.9208 k = 0.2414 0.2293 0.7448 ( 4238 PWs) bands (ev): -9.5541 -9.5531 -9.5142 -9.5079 -8.8870 -8.8700 -8.6428 -8.6320 -8.6292 -8.6230 -7.3642 -7.3280 -7.0867 -7.0805 -6.8928 -6.8662 -6.5412 -6.5403 -3.9098 -3.9072 -0.4143 -0.4133 0.6048 0.6174 0.9817 0.9863 2.1283 2.1525 2.6682 2.7063 2.9135 2.9605 3.0583 3.1132 3.9579 3.9983 4.2134 4.2301 4.3565 4.3731 4.6325 4.6362 5.2879 5.3010 5.9211 5.9227 7.8504 7.8707 7.9114 7.9242 k = 0.2500 0.2195 0.7578 ( 4236 PWs) bands (ev): -9.5541 -9.5531 -9.5142 -9.5079 -8.8871 -8.8700 -8.6428 -8.6320 -8.6292 -8.6230 -7.3617 -7.3255 -7.0854 -7.0827 -6.8941 -6.8672 -6.5422 -6.5419 -3.9100 -3.9074 -0.4150 -0.4140 0.6052 0.6177 0.9794 0.9832 2.1320 2.1563 2.6786 2.7153 2.9070 2.9529 3.0576 3.1128 3.9575 3.9982 4.2187 4.2343 4.3530 4.3701 4.6313 4.6347 5.2878 5.3008 5.9183 5.9199 7.8518 7.8721 7.9125 7.9253 k = 0.2500 0.2195 0.7578 ( 4236 PWs) bands (ev): -9.5541 -9.5531 -9.5142 -9.5079 -8.8871 -8.8700 -8.6428 -8.6320 -8.6292 -8.6230 -7.3617 -7.3255 -7.0854 -7.0827 -6.8941 -6.8672 -6.5422 -6.5419 -3.9100 -3.9074 -0.4150 -0.4140 0.6052 0.6177 0.9794 0.9832 2.1320 2.1563 2.6786 2.7153 2.9070 2.9529 3.0576 3.1128 3.9575 3.9982 4.2187 4.2343 4.3530 4.3701 4.6313 4.6347 5.2878 5.3008 5.9183 5.9199 7.8518 7.8721 7.9125 7.9253 k = 0.2604 0.2286 0.7457 ( 4236 PWs) bands (ev): -9.5541 -9.5531 -9.5142 -9.5079 -8.8870 -8.8700 -8.6428 -8.6322 -8.6290 -8.6230 -7.3628 -7.3268 -7.0862 -7.0817 -6.8932 -6.8665 -6.5418 -6.5412 -3.9100 -3.9075 -0.4156 -0.4146 0.6056 0.6181 0.9822 0.9863 2.1301 2.1544 2.6734 2.7107 2.9065 2.9502 3.0633 3.1156 3.9589 3.9994 4.2162 4.2324 4.3496 4.3663 4.6370 4.6408 5.2867 5.2998 5.9195 5.9211 7.8454 7.8621 7.9210 7.9302 k = 0.2708 0.2378 0.7335 ( 4240 PWs) bands (ev): -9.5542 -9.5530 -9.5142 -9.5079 -8.8869 -8.8700 -8.6429 -8.6326 -8.6286 -8.6229 -7.3658 -7.3299 -7.0874 -7.0805 -6.8911 -6.8650 -6.5404 -6.5394 -3.9101 -3.9076 -0.4170 -0.4161 0.6070 0.6195 0.9904 0.9952 2.1247 2.1488 2.6584 2.6967 2.9062 2.9460 3.0765 3.1225 3.9627 4.0024 4.2082 4.2264 4.3405 4.3564 4.6531 4.6584 5.2833 5.2965 5.9234 5.9250 7.8299 7.8424 7.9360 7.9409 k = 0.2812 0.2469 0.7213 ( 4245 PWs) bands (ev): -9.5543 -9.5529 -9.5141 -9.5079 -8.8868 -8.8700 -8.6430 -8.6331 -8.6281 -8.6228 -7.3699 -7.3344 -7.0888 -7.0798 -6.8881 -6.8628 -6.5381 -6.5367 -3.9102 -3.9076 -0.4194 -0.4184 0.6096 0.6222 1.0036 1.0092 2.1160 2.1399 2.6355 2.6741 2.9072 2.9434 3.0923 3.1317 3.9683 4.0069 4.1951 4.2161 4.3298 4.3453 4.6759 4.6834 5.2775 5.2908 5.9303 5.9321 7.8110 7.8210 7.9494 7.9517 k = 0.2917 0.2561 0.7091 ( 4248 PWs) bands (ev): -9.5545 -9.5527 -9.5140 -9.5079 -8.8865 -8.8700 -8.6431 -8.6337 -8.6276 -8.6226 -7.3746 -7.3395 -7.0902 -7.0796 -6.8846 -6.8603 -6.5351 -6.5334 -3.9101 -3.9076 -0.4224 -0.4214 0.6137 0.6263 1.0213 1.0276 2.1044 2.1280 2.6072 2.6454 2.9090 2.9422 3.1079 3.1415 3.9748 4.0120 4.1782 4.2022 4.3201 4.3357 4.7025 4.7126 5.2692 5.2826 5.9407 5.9428 7.7911 7.7995 7.9593 7.9600 k = 0.3021 0.2652 0.6970 ( 4245 PWs) bands (ev): -9.5548 -9.5524 -9.5139 -9.5078 -8.8863 -8.8700 -8.6432 -8.6343 -8.6271 -8.6223 -7.3796 -7.3450 -7.0917 -7.0799 -6.8810 -6.8578 -6.5319 -6.5298 -3.9098 -3.9073 -0.4259 -0.4249 0.6194 0.6319 1.0429 1.0498 2.0903 2.1135 2.5758 2.6129 2.9110 2.9414 3.1219 3.1507 3.9810 4.0163 4.1604 4.1868 4.3124 4.3282 4.7309 4.7437 5.2583 5.2718 5.9548 5.9574 7.7713 7.7786 7.9647 7.9653 k = 0.3125 0.2744 0.6848 ( 4248 PWs) bands (ev): -9.5551 -9.5521 -9.5137 -9.5077 -8.8861 -8.8698 -8.6434 -8.6350 -8.6266 -8.6219 -7.3845 -7.3504 -7.0931 -7.0805 -6.8776 -6.8556 -6.5287 -6.5262 -3.9092 -3.9067 -0.4296 -0.4287 0.6267 0.6391 1.0676 1.0751 2.0742 2.0970 2.5431 2.5786 2.9124 2.9401 3.1337 3.1587 3.9852 4.0182 4.1448 4.1723 4.3066 4.3224 4.7599 4.7754 5.2448 5.2582 5.9728 5.9759 7.7521 7.7587 7.9656 7.9671 k = 0.3229 0.2835 0.6726 ( 4250 PWs) bands (ev): -9.5555 -9.5517 -9.5135 -9.5076 -8.8859 -8.8696 -8.6436 -8.6357 -8.6262 -8.6215 -7.3891 -7.3556 -7.0943 -7.0812 -6.8747 -6.8536 -6.5260 -6.5229 -3.9082 -3.9057 -0.4333 -0.4324 0.6356 0.6478 1.0950 1.1028 2.0566 2.0788 2.5103 2.5440 2.9124 2.9375 3.1431 3.1653 3.9861 4.0159 4.1341 4.1607 4.3021 4.3177 4.7890 4.8070 5.2287 5.2419 5.9947 5.9986 7.7338 7.7399 7.9628 7.9648 k = 0.3333 0.2927 0.6605 ( 4249 PWs) bands (ev): -9.5559 -9.5513 -9.5133 -9.5075 -8.8858 -8.8693 -8.6438 -8.6363 -8.6259 -8.6209 -7.3933 -7.3603 -7.0952 -7.0818 -6.8723 -6.8521 -6.5239 -6.5203 -3.9066 -3.9042 -0.4368 -0.4359 0.6458 0.6577 1.1241 1.1322 2.0381 2.0597 2.4782 2.5102 2.9106 2.9329 3.1503 3.1709 3.9826 4.0081 4.1299 4.1528 4.2989 4.3138 4.8177 4.8380 5.2101 5.2231 6.0204 6.0251 7.7167 7.7225 7.9562 7.9588 k = 0.3438 0.3018 0.6483 ( 4251 PWs) bands (ev): -9.5564 -9.5508 -9.5131 -9.5074 -8.8858 -8.8688 -8.6439 -8.6370 -8.6257 -8.6202 -7.3968 -7.3644 -7.0958 -7.0822 -6.8705 -6.8510 -6.5229 -6.5186 -3.9046 -3.9021 -0.4398 -0.4389 0.6572 0.6687 1.1545 1.1628 2.0194 2.0401 2.4476 2.4777 2.9065 2.9259 3.1558 3.1760 3.9751 3.9957 4.1311 4.1480 4.2965 4.3107 4.8457 4.8679 5.1896 5.2021 6.0498 6.0552 7.7010 7.7067 7.9462 7.9491 k = 0.3542 0.3110 0.6361 ( 4253 PWs) bands (ev): -9.5570 -9.5504 -9.5129 -9.5072 -8.8859 -8.8681 -8.6441 -8.6377 -8.6256 -8.6195 -7.3995 -7.3678 -7.0960 -7.0823 -6.8694 -6.8504 -6.5232 -6.5180 -3.9020 -3.8995 -0.4421 -0.4412 0.6694 0.6805 1.1852 1.1938 2.0010 2.0209 2.4189 2.4472 2.9000 2.9162 3.1603 3.1813 3.9644 3.9803 4.1352 4.1449 4.2948 4.3088 4.8724 4.8959 5.1677 5.1796 6.0825 6.0886 7.6867 7.6924 7.9328 7.9360 k = 0.3646 0.3201 0.6239 ( 4249 PWs) bands (ev): -9.5576 -9.5499 -9.5126 -9.5069 -8.8861 -8.8673 -8.6443 -8.6383 -8.6255 -8.6188 -7.4015 -7.3704 -7.0956 -7.0820 -6.8689 -6.8502 -6.5250 -6.5187 -3.8988 -3.8963 -0.4435 -0.4427 0.6821 0.6928 1.2156 1.2246 1.9835 2.0024 2.3928 2.4193 2.8906 2.9037 3.1648 3.1876 3.9515 3.9635 4.1394 4.1425 4.2936 4.3083 4.8969 4.9208 5.1459 5.1570 6.1180 6.1249 7.6739 7.6798 7.9162 7.9195 k = 0.3750 0.3293 0.6118 ( 4238 PWs) bands (ev): -9.5582 -9.5494 -9.5123 -9.5066 -8.8864 -8.8664 -8.6445 -8.6389 -8.6254 -8.6181 -7.4027 -7.3721 -7.0948 -7.0813 -6.8691 -6.8505 -6.5282 -6.5208 -3.8950 -3.8925 -0.4438 -0.4430 0.6952 0.7053 1.2449 1.2544 1.9677 1.9852 2.3697 2.3943 2.8784 2.8882 3.1701 3.1953 3.9371 3.9460 4.1373 4.1444 4.2928 4.3091 4.9173 4.9399 5.1263 5.1370 6.1560 6.1635 7.6627 7.6689 7.8964 7.8997 k = 0.3854 0.3384 0.5996 ( 4234 PWs) bands (ev): -9.5588 -9.5490 -9.5120 -9.5063 -8.8868 -8.8652 -8.6446 -8.6395 -8.6254 -8.6173 -7.4031 -7.3730 -7.0934 -7.0802 -6.8700 -6.8512 -6.5330 -6.5243 -3.8906 -3.8881 -0.4431 -0.4423 0.7083 0.7178 1.2721 1.2826 1.9538 1.9698 2.3501 2.3728 2.8632 2.8702 3.1768 3.2049 3.9213 3.9285 4.1319 4.1461 4.2925 4.3110 4.9299 4.9492 5.1121 5.1246 6.1959 6.2040 7.6531 7.6596 7.8734 7.8765 k = 0.3958 0.3475 0.5874 ( 4237 PWs) bands (ev): -9.5595 -9.5485 -9.5116 -9.5059 -8.8874 -8.8640 -8.6448 -8.6401 -8.6255 -8.6166 -7.4027 -7.3730 -7.0915 -7.0786 -6.8716 -6.8524 -6.5392 -6.5290 -3.8859 -3.8833 -0.4411 -0.4403 0.7213 0.7302 1.2965 1.3082 1.9423 1.9566 2.3347 2.3553 2.8453 2.8498 3.1854 3.2166 3.9044 3.9112 4.1248 4.1454 4.2925 4.3134 4.9299 4.9447 5.1072 5.1249 6.2373 6.2458 7.6451 7.6520 7.8471 7.8501 k = 0.4062 0.3567 0.5753 ( 4230 PWs) bands (ev): -9.5602 -9.5481 -9.5113 -9.5055 -8.8880 -8.8627 -8.6449 -8.6406 -8.6255 -8.6159 -7.4015 -7.3721 -7.0891 -7.0766 -6.8739 -6.8540 -6.5467 -6.5350 -3.8807 -3.8781 -0.4378 -0.4370 0.7339 0.7423 1.3174 1.3309 1.9332 1.9456 2.3239 2.3425 2.8248 2.8277 3.1962 3.2303 3.8866 3.8940 4.1162 4.1424 4.2928 4.3157 4.9154 4.9272 5.1140 5.1370 6.2796 6.2885 7.6385 7.6459 7.8176 7.8205 k = 0.4167 0.3658 0.5631 ( 4226 PWs) bands (ev): -9.5609 -9.5476 -9.5109 -9.5051 -8.8886 -8.8613 -8.6451 -8.6410 -8.6256 -8.6153 -7.3996 -7.3705 -7.0864 -7.0742 -6.8769 -6.8561 -6.5552 -6.5418 -3.8754 -3.8727 -0.4333 -0.4325 0.7462 0.7539 1.3345 1.3499 1.9266 1.9371 2.3182 2.3346 2.8017 2.8047 3.2092 3.2461 3.8683 3.8766 4.1063 4.1371 4.2929 4.3175 4.8900 4.9007 5.1297 5.1565 6.3224 6.3317 7.6332 7.6412 7.7851 7.7879 k = 0.4271 0.3750 0.5509 ( 4222 PWs) bands (ev): -9.5615 -9.5473 -9.5106 -9.5046 -8.8892 -8.8599 -8.6453 -8.6414 -8.6256 -8.6147 -7.3972 -7.3682 -7.0834 -7.0717 -6.8804 -6.8587 -6.5643 -6.5492 -3.8699 -3.8672 -0.4276 -0.4267 0.7581 0.7651 1.3475 1.3650 1.9220 1.9310 2.3178 2.3321 2.7769 2.7810 3.2242 3.2637 3.8498 3.8591 4.0954 4.1299 4.2925 4.3183 4.8586 4.8688 5.1504 5.1792 6.3653 6.3749 7.6291 7.6377 7.7498 7.7526 k = 0.4375 0.3841 0.5388 ( 4214 PWs) bands (ev): -9.5622 -9.5469 -9.5102 -9.5041 -8.8899 -8.8585 -8.6454 -8.6418 -8.6257 -8.6142 -7.3945 -7.3654 -7.0803 -7.0691 -6.8844 -6.8618 -6.5737 -6.5569 -3.8645 -3.8617 -0.4207 -0.4197 0.7695 0.7759 1.3565 1.3762 1.9190 1.9271 2.3225 2.3348 2.7515 2.7568 3.2408 3.2827 3.8313 3.8414 4.0835 4.1212 4.2909 4.3177 4.8245 4.8343 5.1728 5.2029 6.4078 6.4177 7.6258 7.6353 7.7121 7.7151 k = 0.4479 0.3933 0.5266 ( 4220 PWs) bands (ev): -9.5629 -9.5466 -9.5098 -9.5035 -8.8905 -8.8570 -8.6456 -8.6420 -8.6258 -8.6137 -7.3916 -7.3622 -7.0773 -7.0667 -6.8885 -6.8651 -6.5829 -6.5645 -3.8593 -3.8565 -0.4127 -0.4117 0.7804 0.7863 1.3622 1.3839 1.9170 1.9249 2.3320 2.3422 2.7263 2.7328 3.2584 3.3026 3.8131 3.8240 4.0709 4.1113 4.2880 4.3154 4.7900 4.7993 5.1953 5.2260 6.4496 6.4596 7.6225 7.6335 7.6725 7.6767 k = 0.4583 0.4024 0.5144 ( 4219 PWs) bands (ev): -9.5635 -9.5463 -9.5095 -9.5029 -8.8911 -8.8556 -8.6458 -8.6422 -8.6259 -8.6133 -7.3889 -7.3590 -7.0746 -7.0646 -6.8925 -6.8686 -6.5915 -6.5717 -3.8546 -3.8516 -0.4038 -0.4027 0.7909 0.7962 1.3653 1.3888 1.9156 1.9240 2.3449 2.3534 2.7026 2.7100 3.2762 3.3224 3.7957 3.8070 4.0579 4.1006 4.2831 4.3111 4.7565 4.7653 5.2166 5.2475 6.4900 6.5003 7.6138 7.6282 7.6346 7.6437 k = 0.4688 0.4116 0.5022 ( 4223 PWs) bands (ev): -9.5641 -9.5461 -9.5091 -9.5023 -8.8917 -8.8543 -8.6460 -8.6423 -8.6260 -8.6130 -7.3868 -7.3562 -7.0725 -7.0631 -6.8958 -6.8718 -6.5991 -6.5781 -3.8504 -3.8474 -0.3940 -0.3929 0.8009 0.8057 1.3669 1.3919 1.9145 1.9235 2.3594 2.3665 2.6820 2.6899 3.2932 3.3412 3.7794 3.7910 4.0445 4.0890 4.2762 4.3046 4.7256 4.7336 5.2360 5.2669 6.5288 6.5393 7.5833 7.5886 7.6280 7.6348 k = 0.4792 0.4207 0.4901 ( 4218 PWs) bands (ev): -9.5646 -9.5459 -9.5087 -9.5016 -8.8922 -8.8530 -8.6461 -8.6424 -8.6261 -8.6128 -7.3857 -7.3542 -7.0711 -7.0623 -6.8978 -6.8741 -6.6054 -6.5835 -3.8470 -3.8438 -0.3836 -0.3824 0.8103 0.8146 1.3683 1.3944 1.9133 1.9229 2.3729 2.3787 2.6666 2.6748 3.3084 3.3578 3.7647 3.7765 4.0308 4.0769 4.2672 4.2957 4.6982 4.7055 5.2527 5.2835 6.5653 6.5761 7.5428 7.5462 7.6260 7.6339 k = 0.4896 0.4299 0.4779 ( 4226 PWs) bands (ev): -9.5651 -9.5458 -9.5083 -9.5010 -8.8926 -8.8518 -8.6463 -8.6425 -8.6262 -8.6126 -7.3864 -7.3537 -7.0703 -7.0620 -6.8981 -6.8751 -6.6102 -6.5876 -3.8444 -3.8412 -0.3727 -0.3714 0.8190 0.8228 1.3707 1.3977 1.9117 1.9217 2.3821 2.3868 2.6592 2.6671 3.3203 3.3706 3.7519 3.7639 4.0173 4.0643 4.2563 4.2849 4.6753 4.6819 5.2665 5.2970 6.5991 6.6102 7.5013 7.5043 7.6252 7.6336 k = 0.5000 0.4390 0.4657 ( 4220 PWs) bands (ev): -9.5655 -9.5457 -9.5079 -9.5004 -8.8930 -8.8507 -8.6464 -8.6425 -8.6263 -8.6125 -7.3895 -7.3556 -7.0700 -7.0618 -6.8962 -6.8743 -6.6134 -6.5905 -3.8428 -3.8395 -0.3614 -0.3601 0.8268 0.8303 1.3754 1.4029 1.9094 1.9195 2.3839 2.3876 2.6621 2.6693 3.3278 3.3784 3.7408 3.7531 4.0041 4.0515 4.2446 4.2728 4.6572 4.6634 5.2769 5.3071 6.6296 6.6410 7.4607 7.4637 7.6245 7.6332 k = 0.5000 0.4390 0.4657 ( 4220 PWs) bands (ev): -9.5655 -9.5457 -9.5079 -9.5004 -8.8930 -8.8507 -8.6464 -8.6425 -8.6263 -8.6125 -7.3895 -7.3556 -7.0700 -7.0618 -6.8962 -6.8743 -6.6134 -6.5905 -3.8428 -3.8395 -0.3614 -0.3601 0.8268 0.8303 1.3754 1.4029 1.9094 1.9195 2.3839 2.3876 2.6621 2.6693 3.3278 3.3784 3.7408 3.7531 4.0041 4.0515 4.2446 4.2728 4.6572 4.6634 5.2769 5.3071 6.6296 6.6410 7.4607 7.4637 7.6245 7.6332 k = 0.5000 0.4390 0.4471 ( 4224 PWs) bands (ev): -9.5661 -9.5456 -9.5073 -9.4994 -8.8935 -8.8490 -8.6465 -8.6425 -8.6264 -8.6125 -7.3972 -7.3615 -7.0697 -7.0618 -6.8903 -6.8702 -6.6165 -6.5934 -3.8422 -3.8388 -0.3445 -0.3430 0.8379 0.8409 1.3878 1.4159 1.9054 1.9157 2.3807 2.3836 2.6750 2.6812 3.3355 3.3860 3.7237 3.7370 3.9849 4.0317 4.2274 4.2547 4.6332 4.6389 5.2878 5.3174 6.6692 6.6810 7.4038 7.4069 7.6222 7.6311 k = 0.5000 0.4390 0.4285 ( 4220 PWs) bands (ev): -9.5666 -9.5456 -9.5066 -9.4984 -8.8938 -8.8475 -8.6466 -8.6425 -8.6265 -8.6125 -7.4063 -7.3690 -7.0704 -7.0627 -6.8822 -6.8636 -6.6185 -6.5953 -3.8439 -3.8404 -0.3288 -0.3273 0.8490 0.8516 1.4066 1.4350 1.9019 1.9124 2.3795 2.3817 2.6878 2.6934 3.3433 3.3933 3.7046 3.7193 3.9665 4.0125 4.2118 4.2381 4.6090 4.6143 5.2933 5.3223 6.6988 6.7112 7.3561 7.3596 7.6177 7.6267 k = 0.5000 0.4390 0.4098 ( 4214 PWs) bands (ev): -9.5671 -9.5457 -9.5059 -9.4974 -8.8941 -8.8462 -8.6466 -8.6424 -8.6266 -8.6126 -7.4165 -7.3780 -7.0721 -7.0645 -6.8718 -6.8545 -6.6194 -6.5962 -3.8479 -3.8443 -0.3146 -0.3130 0.8606 0.8629 1.4318 1.4602 1.8992 1.9097 2.3803 2.3820 2.7005 2.7058 3.3508 3.4001 3.6834 3.6997 3.9494 3.9944 4.1978 4.2232 4.5847 4.5896 5.2924 5.3207 6.7165 6.7294 7.3199 7.3239 7.6108 7.6197 k = 0.5000 0.4390 0.3912 ( 4214 PWs) bands (ev): -9.5676 -9.5458 -9.5052 -9.4964 -8.8943 -8.8449 -8.6466 -8.6424 -8.6266 -8.6128 -7.4278 -7.3883 -7.0748 -7.0673 -6.8594 -6.8430 -6.6192 -6.5961 -3.8543 -3.8505 -0.3023 -0.3008 0.8731 0.8753 1.4632 1.4914 1.8973 1.9079 2.3830 2.3843 2.7131 2.7183 3.3576 3.4060 3.6601 3.6782 3.9342 3.9782 4.1854 4.2099 4.5603 4.5649 5.2846 5.3121 6.7214 6.7345 7.2963 7.3009 7.6014 7.6102 k = 0.5000 0.4390 0.3726 ( 4214 PWs) bands (ev): -9.5680 -9.5461 -9.5044 -9.4954 -8.8943 -8.8438 -8.6465 -8.6422 -8.6267 -8.6130 -7.4399 -7.3997 -7.0786 -7.0709 -6.8449 -6.8294 -6.6178 -6.5950 -3.8630 -3.8592 -0.2923 -0.2908 0.8876 0.8898 1.5000 1.5278 1.8968 1.9073 2.3873 2.3886 2.7253 2.7309 3.3632 3.4105 3.6349 3.6548 3.9209 3.9643 4.1745 4.1985 4.5360 4.5403 5.2694 5.2960 6.7142 6.7274 7.2846 7.2897 7.5896 7.5982 k = 0.5000 0.4390 0.3540 ( 4210 PWs) bands (ev): -9.5683 -9.5464 -9.5036 -9.4944 -8.8942 -8.8429 -8.6462 -8.6421 -8.6267 -8.6134 -7.4526 -7.4121 -7.0833 -7.0755 -6.8287 -6.8138 -6.6153 -6.5929 -3.8741 -3.8703 -0.2849 -0.2834 0.9050 0.9072 1.5411 1.5682 1.8981 1.9085 2.3933 2.3949 2.7372 2.7435 3.3672 3.4132 3.6080 3.6296 3.9101 3.9531 4.1650 4.1887 4.5119 4.5159 5.2466 5.2723 6.6974 6.7103 7.2823 7.2877 7.5754 7.5837 k = 0.5000 0.4390 0.3353 ( 4206 PWs) bands (ev): -9.5686 -9.5468 -9.5028 -9.4935 -8.8939 -8.8422 -8.6460 -8.6419 -8.6267 -8.6138 -7.4657 -7.4251 -7.0888 -7.0808 -6.8109 -6.7966 -6.6119 -6.5899 -3.8874 -3.8835 -0.2803 -0.2788 0.9262 0.9284 1.5850 1.6110 1.9022 1.9124 2.4008 2.4028 2.7488 2.7559 3.3689 3.4136 3.5797 3.6029 3.9018 3.9447 4.1568 4.1805 4.4880 4.4919 5.2165 5.2412 6.6740 6.6866 7.2860 7.2916 7.5589 7.5670 k = 0.5000 0.4390 0.3167 ( 4208 PWs) bands (ev): -9.5688 -9.5472 -9.5019 -9.4926 -8.8935 -8.8417 -8.6456 -8.6417 -8.6268 -8.6142 -7.4789 -7.4386 -7.0950 -7.0868 -6.7918 -6.7780 -6.6075 -6.5861 -3.9027 -3.8988 -0.2786 -0.2772 0.9520 0.9542 1.6294 1.6539 1.9109 1.9204 2.4097 2.4121 2.7600 2.7680 3.3676 3.4109 3.5505 3.5751 3.8963 3.9392 4.1499 4.1740 4.4644 4.4683 5.1795 5.2031 6.6469 6.6590 7.2924 7.2980 7.5405 7.5482 k = 0.5000 0.4390 0.2981 ( 4216 PWs) bands (ev): -9.5690 -9.5478 -9.5011 -9.4918 -8.8930 -8.8415 -8.6451 -8.6414 -8.6268 -8.6148 -7.4921 -7.4524 -7.1017 -7.0933 -6.7717 -6.7584 -6.6024 -6.5816 -3.9198 -3.9160 -0.2799 -0.2785 0.9829 0.9851 1.6717 1.6937 1.9264 1.9345 2.4197 2.4226 2.7708 2.7797 3.3629 3.4046 3.5206 3.5466 3.8934 3.9364 4.1442 4.1691 4.4413 4.4453 5.1364 5.1589 6.6181 6.6296 7.2991 7.3048 7.5202 7.5276 k = 0.5000 0.4390 0.2794 ( 4216 PWs) bands (ev): -9.5691 -9.5484 -9.5002 -9.4910 -8.8923 -8.8414 -8.6446 -8.6411 -8.6269 -8.6154 -7.5051 -7.4662 -7.1087 -7.1003 -6.7508 -6.7381 -6.5966 -6.5765 -3.9385 -3.9347 -0.2841 -0.2827 1.0192 1.0214 1.7084 1.7268 1.9516 1.9575 2.4307 2.4342 2.7811 2.7909 3.3540 3.3942 3.4904 3.5177 3.8933 3.9361 4.1398 4.1657 4.4188 4.4231 5.0880 5.1095 6.5888 6.5997 7.3046 7.3102 7.4983 7.5054 k = 0.5000 0.4390 0.2608 ( 4208 PWs) bands (ev): -9.5691 -9.5490 -9.4993 -9.4903 -8.8914 -8.8416 -8.6440 -8.6407 -8.6270 -8.6161 -7.5177 -7.4800 -7.1159 -7.1075 -6.7295 -6.7174 -6.5903 -6.5711 -3.9585 -3.9547 -0.2908 -0.2896 1.0610 1.0633 1.7368 1.7510 1.9877 1.9916 2.4425 2.4466 2.7908 2.8015 3.3407 3.3792 3.4603 3.4887 3.8958 3.9381 4.1367 4.1638 4.3971 4.4018 5.0357 5.0562 6.5598 6.5701 7.3078 7.3134 7.4753 7.4820 k = 0.5000 0.4390 0.2422 ( 4212 PWs) bands (ev): -9.5690 -9.5498 -9.4984 -9.4897 -8.8903 -8.8420 -8.6433 -8.6403 -8.6271 -8.6169 -7.5298 -7.4935 -7.1231 -7.1149 -6.7079 -6.6964 -6.5836 -6.5653 -3.9794 -3.9757 -0.2997 -0.2986 1.1082 1.1104 1.7564 1.7667 2.0331 2.0367 2.4548 2.4595 2.7998 2.8114 3.3227 3.3594 3.4304 3.4597 3.9006 3.9419 4.1350 4.1634 4.3764 4.3815 4.9804 5.0001 6.5313 6.5411 7.3085 7.3139 7.4513 7.4577 k = 0.5000 0.4390 0.2235 ( 4214 PWs) bands (ev): -9.5689 -9.5505 -9.4975 -9.4891 -8.8891 -8.8426 -8.6426 -8.6398 -8.6272 -8.6177 -7.5413 -7.5066 -7.1303 -7.1222 -6.6864 -6.6756 -6.5767 -6.5594 -4.0009 -3.9972 -0.3105 -0.3094 1.1603 1.1626 1.7689 1.7761 2.0854 2.0900 2.4675 2.4729 2.8080 2.8204 3.3003 3.3350 3.4008 3.4307 3.9073 3.9472 4.1347 4.1646 4.3567 4.3624 4.9235 4.9425 6.5034 6.5127 7.3066 7.3119 7.4269 7.4329 k = 0.5000 0.4390 0.2049 ( 4214 PWs) bands (ev): -9.5687 -9.5514 -9.4967 -9.4886 -8.8877 -8.8435 -8.6418 -8.6393 -8.6273 -8.6186 -7.5520 -7.5193 -7.1373 -7.1294 -6.6652 -6.6552 -6.5697 -6.5535 -4.0225 -4.0191 -0.3225 -0.3215 1.2168 1.2192 1.7765 1.7815 2.1422 2.1475 2.4805 2.4867 2.8153 2.8284 3.2740 3.3066 3.3709 3.4011 3.9155 3.9536 4.1361 4.1673 4.3384 4.3446 4.8659 4.8844 6.4763 6.4850 7.3024 7.3074 7.4024 7.4080 k = 0.5000 0.4390 0.1863 ( 4210 PWs) bands (ev): -9.5684 -9.5522 -9.4958 -9.4882 -8.8862 -8.8446 -8.6409 -8.6387 -8.6275 -8.6195 -7.5619 -7.5313 -7.1439 -7.1365 -6.6447 -6.6354 -6.5627 -6.5476 -4.0440 -4.0407 -0.3353 -0.3344 1.2770 1.2795 1.7810 1.7844 2.2008 2.2067 2.4937 2.5008 2.8214 2.8353 3.2448 3.2751 3.3403 3.3707 3.9249 3.9606 4.1393 4.1715 4.3216 4.3283 4.8087 4.8271 6.4500 6.4582 7.2963 7.3009 7.3783 7.3835 k = 0.5000 0.4390 0.1677 ( 4200 PWs) bands (ev): -9.5680 -9.5531 -9.4950 -9.4879 -8.8845 -8.8459 -8.6401 -8.6381 -8.6278 -8.6205 -7.5709 -7.5427 -7.1501 -7.1431 -6.6250 -6.6166 -6.5558 -6.5420 -4.0649 -4.0618 -0.3485 -0.3477 1.3401 1.3427 1.7834 1.7859 2.2587 2.2651 2.5073 2.5154 2.8264 2.8408 3.2135 3.2417 3.3087 3.3391 3.9349 3.9680 4.1443 4.1773 4.3063 4.3135 4.7528 4.7713 6.4246 6.4323 7.2887 7.2929 7.3549 7.3597 k = 0.5000 0.4390 0.1490 ( 4214 PWs) bands (ev): -9.5676 -9.5541 -9.4941 -9.4877 -8.8827 -8.8474 -8.6392 -8.6374 -8.6280 -8.6215 -7.5788 -7.5532 -7.1559 -7.1494 -6.6066 -6.5990 -6.5492 -6.5366 -4.0849 -4.0820 -0.3615 -0.3608 1.4050 1.4078 1.7846 1.7864 2.3134 2.3204 2.5218 2.5311 2.8301 2.8448 3.1815 3.2072 3.2761 3.3062 3.9453 3.9755 4.1512 4.1845 4.2928 4.3003 4.6990 4.7179 6.4005 6.4076 7.2803 7.2840 7.3328 7.3371 k = 0.5000 0.4390 0.1304 ( 4208 PWs) bands (ev): -9.5671 -9.5550 -9.4933 -9.4875 -8.8807 -8.8491 -8.6382 -8.6367 -8.6284 -8.6226 -7.5858 -7.5630 -7.1610 -7.1552 -6.5896 -6.5830 -6.5429 -6.5316 -4.1035 -4.1009 -0.3740 -0.3733 1.4707 1.4735 1.7851 1.7864 2.3618 2.3695 2.5385 2.5492 2.8325 2.8473 3.1499 3.1729 3.2428 3.2721 3.9558 3.9828 4.1600 4.1930 4.2811 4.2887 4.6478 4.6673 6.3779 6.3844 7.2716 7.2746 7.3123 7.3160 k = 0.5000 0.4390 0.1118 ( 4220 PWs) bands (ev): -9.5665 -9.5560 -9.4926 -9.4875 -8.8786 -8.8509 -8.6373 -8.6359 -8.6287 -8.6236 -7.5916 -7.5717 -7.1656 -7.1604 -6.5743 -6.5688 -6.5369 -6.5271 -4.1204 -4.1182 -0.3855 -0.3850 1.5355 1.5384 1.7851 1.7860 2.4008 2.4084 2.5591 2.5713 2.8340 2.8486 3.1202 3.1399 3.2090 3.2372 3.9659 3.9897 4.1706 4.2027 4.2712 4.2788 4.6000 4.6201 6.3572 6.3630 7.2630 7.2652 7.2938 7.2969 k = 0.5000 0.4390 0.0931 ( 4232 PWs) bands (ev): -9.5659 -9.5570 -9.4918 -9.4875 -8.8764 -8.8530 -8.6364 -8.6350 -8.6292 -8.6247 -7.5964 -7.5796 -7.1694 -7.1650 -6.5611 -6.5567 -6.5313 -6.5230 -4.1354 -4.1334 -0.3958 -0.3953 1.5979 1.6008 1.7849 1.7856 2.4277 2.4343 2.5842 2.5980 2.8352 2.8500 3.0937 3.1096 3.1753 3.2022 3.9755 3.9959 4.1828 4.2132 4.2631 4.2704 4.5563 4.5768 6.3388 6.3438 7.2549 7.2562 7.2777 7.2803 k = 0.5000 0.4390 0.0745 ( 4238 PWs) bands (ev): -9.5652 -9.5580 -9.4911 -9.4876 -8.8741 -8.8551 -8.6355 -8.6342 -8.6296 -8.6258 -7.5999 -7.5863 -7.1725 -7.1689 -6.5502 -6.5469 -6.5261 -6.5195 -4.1480 -4.1464 -0.4046 -0.4042 1.6556 1.6583 1.7846 1.7851 2.4429 2.4476 2.6111 2.6266 2.8377 2.8533 3.0708 3.0831 3.1428 3.1680 3.9844 4.0012 4.1963 4.2237 4.2568 4.2636 4.5175 4.5377 6.3231 6.3273 7.2477 7.2480 7.2643 7.2664 k = 0.5000 0.4390 0.0559 ( 4238 PWs) bands (ev): -9.5644 -9.5590 -9.4905 -9.4878 -8.8718 -8.8573 -8.6347 -8.6333 -8.6302 -8.6269 -7.6024 -7.5921 -7.1749 -7.1721 -6.5418 -6.5397 -6.5213 -6.5165 -4.1580 -4.1568 -0.4116 -0.4113 1.7058 1.7082 1.7843 1.7847 2.4489 2.4520 2.6357 2.6514 2.8443 2.8604 3.0509 3.0609 3.1135 3.1362 3.9923 4.0052 4.2108 4.2331 4.2521 4.2586 4.4850 4.5036 6.3106 6.3138 7.2410 7.2414 7.2538 7.2557 k = 0.5000 0.4390 0.0373 ( 4238 PWs) bands (ev): -9.5636 -9.5600 -9.4899 -9.4881 -8.8693 -8.8597 -8.6338 -8.6324 -8.6307 -8.6280 -7.6036 -7.5967 -7.1764 -7.1746 -6.5359 -6.5348 -6.5173 -6.5142 -4.1653 -4.1645 -0.4168 -0.4166 1.7456 1.7472 1.7841 1.7844 2.4494 2.4512 2.6548 2.6678 2.8568 2.8713 3.0327 3.0420 3.0912 3.1094 3.9988 4.0077 4.2252 4.2397 4.2488 4.2558 4.4605 4.4756 6.3015 6.3037 7.2355 7.2363 7.2467 7.2482 k = 0.5000 0.4390 0.0186 ( 4234 PWs) bands (ev): -9.5628 -9.5609 -9.4893 -9.4884 -8.8669 -8.8620 -8.6330 -8.6319 -8.6308 -8.6290 -7.6036 -7.6001 -7.1772 -7.1762 -6.5325 -6.5321 -6.5144 -6.5129 -4.1696 -4.1692 -0.4199 -0.4198 1.7712 1.7719 1.7841 1.7847 2.4479 2.4488 2.6673 2.6747 2.8723 2.8815 3.0187 3.0252 3.0799 3.0901 4.0038 4.0083 4.2381 4.2429 4.2465 4.2537 4.4465 4.4553 6.2962 6.2973 7.2322 7.2327 7.2428 7.2437 k = 0.5000 0.4390 0.0000 ( 4222 PWs) bands (ev): -9.5619 -9.5619 -9.4888 -9.4888 -8.8645 -8.8645 -8.6323 -8.6323 -8.6300 -8.6300 -7.6025 -7.6025 -7.1771 -7.1771 -6.5313 -6.5313 -6.5129 -6.5129 -4.1709 -4.1709 -0.4209 -0.4209 1.7795 1.7795 1.7852 1.7852 2.4473 2.4473 2.6740 2.6740 2.8829 2.8829 3.0152 3.0152 3.0801 3.0801 4.0070 4.0070 4.2438 4.2438 4.2490 4.2490 4.4449 4.4449 6.2948 6.2948 7.2312 7.2312 7.2419 7.2419 k = 0.0000 0.0000 0.7578 ( 4220 PWs) bands (ev): -9.5541 -9.5541 -9.5108 -9.5108 -8.8776 -8.8776 -8.6423 -8.6423 -8.6200 -8.6200 -7.3776 -7.3776 -7.0922 -7.0922 -6.8357 -6.8357 -6.5301 -6.5301 -3.9405 -3.9405 -0.5676 -0.5676 0.7381 0.7381 1.4650 1.4650 1.9858 1.9858 2.5022 2.5022 2.5880 2.5880 3.2995 3.2995 3.8479 3.8479 4.2084 4.2084 4.3974 4.3974 4.9400 4.9400 5.1589 5.1589 5.9016 5.9016 7.5314 7.5314 7.9564 7.9564 k = 0.0139 0.0122 0.7578 ( 4226 PWs) bands (ev): -9.5541 -9.5540 -9.5111 -9.5105 -8.8783 -8.8769 -8.6425 -8.6420 -8.6202 -8.6200 -7.3787 -7.3760 -7.0922 -7.0920 -6.8370 -6.8350 -6.5302 -6.5302 -3.9404 -3.9402 -0.5666 -0.5666 0.7365 0.7377 1.4599 1.4599 1.9870 1.9901 2.5041 2.5048 2.5869 2.5911 3.2985 3.2992 3.8495 3.8508 4.2072 4.2086 4.3907 4.3959 4.9425 4.9458 5.1561 5.1567 5.9017 5.9018 7.5326 7.5329 7.9576 7.9579 k = 0.0278 0.0244 0.7578 ( 4222 PWs) bands (ev): -9.5541 -9.5540 -9.5113 -9.5102 -8.8791 -8.8761 -8.6428 -8.6416 -8.6203 -8.6200 -7.3794 -7.3739 -7.0921 -7.0917 -6.8390 -6.8350 -6.5305 -6.5305 -3.9398 -3.9394 -0.5637 -0.5636 0.7328 0.7352 1.4450 1.4450 1.9933 1.9994 2.5103 2.5118 2.5880 2.5962 3.2964 3.2978 3.8556 3.8583 4.2050 4.2077 4.3767 4.3868 4.9531 4.9595 5.1482 5.1494 5.9021 5.9024 7.5365 7.5371 7.9614 7.9620 k = 0.0417 0.0366 0.7578 ( 4226 PWs) bands (ev): -9.5542 -9.5539 -9.5116 -9.5100 -8.8799 -8.8754 -8.6429 -8.6412 -8.6206 -8.6201 -7.3796 -7.3713 -7.0919 -7.0914 -6.8416 -6.8356 -6.5309 -6.5309 -3.9387 -3.9381 -0.5588 -0.5586 0.7272 0.7307 1.4216 1.4218 2.0036 2.0125 2.5208 2.5230 2.5910 2.6032 3.2930 3.2953 3.8663 3.8702 4.2016 4.2053 4.3572 4.3711 4.9707 4.9795 5.1354 5.1372 5.9029 5.9033 7.5429 7.5439 7.9678 7.9685 k = 0.0556 0.0488 0.7578 ( 4224 PWs) bands (ev): -9.5542 -9.5539 -9.5119 -9.5097 -8.8806 -8.8748 -8.6431 -8.6408 -8.6209 -8.6202 -7.3793 -7.3684 -7.0916 -7.0909 -6.8447 -6.8368 -6.5315 -6.5314 -3.9372 -3.9364 -0.5521 -0.5518 0.7198 0.7245 1.3915 1.3919 2.0166 2.0280 2.5353 2.5381 2.5960 2.6118 3.2883 3.2915 3.8813 3.8865 4.1968 4.2009 4.3342 4.3510 4.9936 5.0043 5.1179 5.1203 5.9039 5.9044 7.5520 7.5533 7.9763 7.9772 k = 0.0694 0.0610 0.7578 ( 4232 PWs) bands (ev): -9.5542 -9.5538 -9.5121 -9.5095 -8.8814 -8.8742 -8.6432 -8.6403 -8.6213 -8.6203 -7.3787 -7.3650 -7.0912 -7.0903 -6.8484 -6.8385 -6.5322 -6.5321 -3.9354 -3.9343 -0.5436 -0.5434 0.7111 0.7168 1.3563 1.3571 2.0308 2.0445 2.5534 2.5568 2.6028 2.6219 3.2822 3.2863 3.9007 3.9071 4.1900 4.1935 4.3106 4.3286 5.0201 5.0321 5.0959 5.0989 5.9051 5.9058 7.5636 7.5653 7.9866 7.9876 k = 0.0833 0.0732 0.7578 ( 4234 PWs) bands (ev): -9.5542 -9.5537 -9.5124 -9.5093 -8.8821 -8.8736 -8.6432 -8.6398 -8.6217 -8.6205 -7.3777 -7.3614 -7.0908 -7.0897 -6.8525 -6.8406 -6.5331 -6.5330 -3.9332 -3.9319 -0.5337 -0.5334 0.7011 0.7078 1.3178 1.3190 2.0454 2.0611 2.5748 2.5782 2.6117 2.6332 3.2744 3.2798 3.9243 3.9318 4.1807 4.1816 4.2892 4.3062 5.0476 5.0598 5.0716 5.0746 5.9065 5.9073 7.5776 7.5796 7.9983 7.9992 k = 0.0972 0.0854 0.7578 ( 4230 PWs) bands (ev): -9.5542 -9.5537 -9.5127 -9.5091 -8.8828 -8.8730 -8.6432 -8.6392 -8.6222 -8.6208 -7.3763 -7.3575 -7.0902 -7.0890 -6.8569 -6.8431 -6.5340 -6.5339 -3.9308 -3.9293 -0.5225 -0.5221 0.6903 0.6980 1.2774 1.2789 2.0594 2.0769 2.5986 2.6000 2.6243 2.6457 3.2650 3.2718 3.9517 3.9604 4.1643 4.1679 4.2722 4.2860 5.0381 5.0407 5.0817 5.0935 5.9081 5.9090 7.5940 7.5964 8.0104 8.0111 k = 0.1111 0.0976 0.7578 ( 4238 PWs) bands (ev): -9.5542 -9.5536 -9.5129 -9.5089 -8.8835 -8.8725 -8.6432 -8.6386 -8.6228 -8.6210 -7.3748 -7.3534 -7.0897 -7.0882 -6.8616 -6.8459 -6.5350 -6.5348 -3.9282 -3.9266 -0.5102 -0.5098 0.6790 0.6875 1.2363 1.2381 2.0725 2.0915 2.6171 2.6235 2.6449 2.6599 3.2537 3.2621 3.9824 3.9925 4.1424 4.1513 4.2603 4.2694 5.0043 5.0079 5.1110 5.1238 5.9096 5.9106 7.6126 7.6154 8.0222 8.0225 k = 0.1250 0.1098 0.7578 ( 4238 PWs) bands (ev): -9.5542 -9.5535 -9.5131 -9.5087 -8.8841 -8.8720 -8.6432 -8.6379 -8.6234 -8.6213 -7.3730 -7.3493 -7.0891 -7.0874 -6.8664 -6.8489 -6.5360 -6.5359 -3.9255 -3.9237 -0.4972 -0.4967 0.6676 0.6768 1.1955 1.1977 2.0844 2.1046 2.6290 2.6467 2.6732 2.6780 3.2404 3.2507 4.0154 4.0275 4.1186 4.1319 4.2524 4.2570 4.9671 4.9713 5.1402 5.1533 5.9112 5.9123 7.6333 7.6364 8.0321 8.0325 k = 0.1389 0.1219 0.7578 ( 4238 PWs) bands (ev): -9.5542 -9.5535 -9.5133 -9.5085 -8.8847 -8.8716 -8.6432 -8.6372 -8.6240 -8.6216 -7.3712 -7.3451 -7.0885 -7.0866 -6.8712 -6.8520 -6.5371 -6.5369 -3.9228 -3.9209 -0.4839 -0.4833 0.6564 0.6663 1.1561 1.1586 2.0948 2.1161 2.6390 2.6645 2.7026 2.7053 3.2249 3.2374 4.0452 4.0637 4.1000 4.1123 4.2471 4.2481 4.9271 4.9316 5.1681 5.1814 5.9127 5.9139 7.6559 7.6595 8.0382 8.0395 k = 0.1528 0.1341 0.7578 ( 4238 PWs) bands (ev): -9.5542 -9.5534 -9.5135 -9.5084 -8.8852 -8.8713 -8.6431 -8.6365 -8.6247 -8.6219 -7.3693 -7.3411 -7.0879 -7.0859 -6.8759 -6.8550 -6.5381 -6.5379 -3.9202 -3.9181 -0.4706 -0.4700 0.6456 0.6562 1.1188 1.1216 2.1039 2.1260 2.6478 2.6776 2.7324 2.7395 3.2072 3.2223 4.0478 4.0797 4.1118 4.1146 4.2422 4.2434 4.8847 4.8896 5.1941 5.2074 5.9140 5.9153 7.6802 7.6843 8.0392 8.0413 k = 0.1667 0.1463 0.7578 ( 4236 PWs) bands (ev): -9.5542 -9.5533 -9.5137 -9.5083 -8.8857 -8.8709 -8.6431 -8.6358 -8.6254 -8.6221 -7.3675 -7.3373 -7.0873 -7.0851 -6.8803 -6.8579 -6.5390 -6.5388 -3.9177 -3.9155 -0.4578 -0.4571 0.6357 0.6467 1.0846 1.0876 2.1116 2.1344 2.6557 2.6879 2.7645 2.7751 3.1872 3.2054 4.0292 4.0628 4.1487 4.1519 4.2390 4.2407 4.8408 4.8458 5.2176 5.2309 5.9152 5.9166 7.7060 7.7106 8.0337 8.0363 k = 0.1806 0.1585 0.7578 ( 4252 PWs) bands (ev): -9.5542 -9.5533 -9.5139 -9.5082 -8.8861 -8.8707 -8.6430 -8.6350 -8.6262 -8.6224 -7.3658 -7.3339 -7.0868 -7.0845 -6.8842 -6.8606 -6.5399 -6.5397 -3.9155 -3.9132 -0.4460 -0.4452 0.6269 0.6383 1.0541 1.0574 2.1180 2.1413 2.6625 2.6964 2.7971 2.8113 3.1650 3.1870 4.0090 4.0445 4.1898 4.1908 4.2388 4.2409 4.7959 4.8010 5.2382 5.2514 5.9162 5.9177 7.7330 7.7384 8.0215 8.0239 k = 0.1944 0.1707 0.7578 ( 4252 PWs) bands (ev): -9.5542 -9.5532 -9.5140 -9.5081 -8.8865 -8.8704 -8.6429 -8.6343 -8.6270 -8.6226 -7.3644 -7.3310 -7.0863 -7.0839 -6.8877 -6.8629 -6.5407 -6.5404 -3.9136 -3.9112 -0.4355 -0.4346 0.6193 0.6311 1.0281 1.0315 2.1231 2.1468 2.6683 2.7032 2.8289 2.8474 3.1408 3.1676 3.9912 4.0284 4.2129 4.2314 4.2400 4.2592 4.7512 4.7563 5.2556 5.2688 5.9171 5.9185 7.7609 7.7672 8.0036 8.0052 k = 0.2083 0.1829 0.7578 ( 4242 PWs) bands (ev): -9.5541 -9.5532 -9.5141 -9.5080 -8.8867 -8.8703 -8.6429 -8.6335 -8.6277 -8.6228 -7.3632 -7.3286 -7.0860 -7.0834 -6.8905 -6.8648 -6.5413 -6.5410 -3.9120 -3.9096 -0.4268 -0.4259 0.6132 0.6253 1.0071 1.0107 2.1270 2.1510 2.6728 2.7085 2.8583 2.8826 3.1152 3.1482 3.9767 4.0154 4.2181 4.2354 4.2768 4.2947 4.7085 4.7133 5.2695 5.2826 5.9177 5.9192 7.7890 7.7967 7.9818 7.9819 k = 0.2222 0.1951 0.7578 ( 4240 PWs) bands (ev): -9.5541 -9.5532 -9.5142 -9.5080 -8.8869 -8.8701 -8.6428 -8.6328 -8.6284 -8.6229 -7.3623 -7.3268 -7.0857 -7.0830 -6.8925 -6.8662 -6.5418 -6.5415 -3.9109 -3.9084 -0.4203 -0.4193 0.6088 0.6211 0.9918 0.9955 2.1298 2.1539 2.6760 2.7123 2.8833 2.9153 3.0896 3.1306 3.9661 4.0059 4.2188 4.2349 4.3141 4.3309 4.6706 4.6749 5.2796 5.2926 5.9181 5.9196 7.8163 7.8263 7.9559 7.9582 k = 0.2361 0.2073 0.7578 ( 4236 PWs) bands (ev): -9.5541 -9.5532 -9.5142 -9.5079 -8.8870 -8.8701 -8.6428 -8.6322 -8.6290 -8.6230 -7.3618 -7.3258 -7.0855 -7.0828 -6.8937 -6.8670 -6.5421 -6.5418 -3.9102 -3.9076 -0.4163 -0.4153 0.6061 0.6185 0.9825 0.9863 2.1314 2.1557 2.6780 2.7146 2.9007 2.9417 3.0674 3.1177 3.9597 4.0001 4.2187 4.2344 4.3419 4.3587 4.6425 4.6462 5.2857 5.2988 5.9183 5.9199 7.8401 7.8546 7.9295 7.9364 k = 0.2500 0.2195 0.7578 ( 4236 PWs) bands (ev): -9.5541 -9.5531 -9.5142 -9.5079 -8.8871 -8.8700 -8.6428 -8.6320 -8.6292 -8.6230 -7.3617 -7.3255 -7.0854 -7.0827 -6.8941 -6.8672 -6.5422 -6.5419 -3.9100 -3.9074 -0.4150 -0.4140 0.6052 0.6177 0.9794 0.9832 2.1320 2.1563 2.6786 2.7153 2.9070 2.9529 3.0576 3.1128 3.9575 3.9982 4.2187 4.2343 4.3530 4.3701 4.6313 4.6347 5.2878 5.3008 5.9183 5.9199 7.8518 7.8721 7.9125 7.9253 Writing output data file InPS4.save init_run : 2.97s CPU 12.06s WALL ( 1 calls) electrons : 483.35s CPU 488.27s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.33s CPU 1.57s WALL ( 1 calls) Called by electrons: c_bands : 483.34s CPU 488.06s WALL ( 1 calls) v_of_rho : 0.08s CPU 1.02s WALL ( 1 calls) v_h : 0.00s CPU 0.01s WALL ( 1 calls) v_xc : 0.07s CPU 0.63s WALL ( 1 calls) newd : 0.49s CPU 0.75s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.08s WALL ( 294 calls) cegterg : 448.44s CPU 450.93s WALL ( 403 calls) Called by sum_band: Called by *egterg: h_psi : 222.77s CPU 227.61s WALL ( 6652 calls) s_psi : 33.78s CPU 33.87s WALL ( 6652 calls) g_psi : 0.48s CPU 0.56s WALL ( 5955 calls) cdiaghg : 143.23s CPU 141.89s WALL ( 6249 calls) cegterg:over : 38.68s CPU 36.74s WALL ( 5955 calls) cegterg:upda : 7.31s CPU 9.15s WALL ( 5955 calls) cegterg:last : 6.17s CPU 6.67s WALL ( 1324 calls) Called by h_psi: h_psi:vloc : 161.34s CPU 164.54s WALL ( 6652 calls) h_psi:vnl : 61.30s CPU 62.32s WALL ( 6652 calls) add_vuspsi : 23.34s CPU 25.59s WALL ( 6652 calls) General routines calbec : 37.93s CPU 36.68s WALL ( 6652 calls) fft : 0.60s CPU 1.51s WALL ( 19 calls) ffts : 0.08s CPU 0.09s WALL ( 4 calls) fftw : 153.36s CPU 155.86s WALL ( 869716 calls) interpolate : 0.10s CPU 0.11s WALL ( 4 calls) davcio : 0.03s CPU 0.81s WALL ( 588 calls) Parallel routines fft_scatter : 108.54s CPU 108.13s WALL ( 869739 calls) PWSCF : 8m51.86s CPU 10m 3.48s WALL This run was terminated on: 19:35:30 12Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=