Program PWSCF v.5.1.1 starts on 6Oct2015 at 21:36:50 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: ./KCN.save/ file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 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 27 14 4 750 291 49 Max 28 15 5 757 306 53 Sum 1339 719 231 36173 14267 2467 bravais-lattice index = 14 lattice parameter (alat) = 7.1788 a.u. unit-cell volume = 362.7971 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 3 number of electrons = 18.00 number of Kohn-Sham states= 26 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.178811 celldm(2)= 1.000000 celldm(3)= 0.985321 celldm(4)= 0.056100 celldm(5)= 0.056100 celldm(6)= 0.059797 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.059797 0.998211 0.000000 ) a(3) = ( 0.055277 0.052065 0.982391 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.059905 -0.053093 ) b(2) = ( 0.000000 1.001793 -0.053093 ) b(3) = ( 0.000000 0.000000 1.017925 ) PseudoPot. # 1 for K read from file: /home/autes/Pseudo/K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3dd1b7807415f540a701f2a402ca1bb0 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1165 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for C read from file: /home/autes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for N read from file: /home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd 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 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential K 9.00 39.09830 K( 1.00) C 4.00 12.01070 C( 1.00) N 5.00 14.00670 N( 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= 389 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025707 k( 2) = ( 0.0087719 0.0082622 -0.0009315), wk = 0.0025707 k( 3) = ( 0.0175439 0.0165244 -0.0018629), wk = 0.0025707 k( 4) = ( 0.0263158 0.0247865 -0.0027944), wk = 0.0025707 k( 5) = ( 0.0350877 0.0330487 -0.0037258), wk = 0.0025707 k( 6) = ( 0.0438597 0.0413109 -0.0046573), wk = 0.0025707 k( 7) = ( 0.0526316 0.0495731 -0.0055887), wk = 0.0025707 k( 8) = ( 0.0614035 0.0578352 -0.0065202), wk = 0.0025707 k( 9) = ( 0.0701754 0.0660974 -0.0074516), wk = 0.0025707 k( 10) = ( 0.0789474 0.0743596 -0.0083831), wk = 0.0025707 k( 11) = ( 0.0877193 0.0826218 -0.0093145), wk = 0.0025707 k( 12) = ( 0.0964912 0.0908839 -0.0102460), wk = 0.0025707 k( 13) = ( 0.1052632 0.0991461 -0.0111774), wk = 0.0025707 k( 14) = ( 0.1140351 0.1074083 -0.0121089), wk = 0.0025707 k( 15) = ( 0.1228070 0.1156705 -0.0130403), wk = 0.0025707 k( 16) = ( 0.1315790 0.1239326 -0.0139718), wk = 0.0025707 k( 17) = ( 0.1403509 0.1321948 -0.0149033), wk = 0.0025707 k( 18) = ( 0.1491228 0.1404570 -0.0158347), wk = 0.0025707 k( 19) = ( 0.1578947 0.1487192 -0.0167662), wk = 0.0025707 k( 20) = ( 0.1666667 0.1569813 -0.0176976), wk = 0.0025707 k( 21) = ( 0.1754386 0.1652435 -0.0186291), wk = 0.0025707 k( 22) = ( 0.1842105 0.1735057 -0.0195605), wk = 0.0025707 k( 23) = ( 0.1929825 0.1817679 -0.0204920), wk = 0.0025707 k( 24) = ( 0.2017544 0.1900300 -0.0214234), wk = 0.0025707 k( 25) = ( 0.2105263 0.1982922 -0.0223549), wk = 0.0025707 k( 26) = ( 0.2192983 0.2065544 -0.0232863), wk = 0.0025707 k( 27) = ( 0.2280702 0.2148166 -0.0242178), wk = 0.0025707 k( 28) = ( 0.2368421 0.2230787 -0.0251492), wk = 0.0025707 k( 29) = ( 0.2456140 0.2313409 -0.0260807), wk = 0.0025707 k( 30) = ( 0.2543860 0.2396031 -0.0270121), wk = 0.0025707 k( 31) = ( 0.2631579 0.2478653 -0.0279436), wk = 0.0025707 k( 32) = ( 0.2719298 0.2561274 -0.0288750), wk = 0.0025707 k( 33) = ( 0.2807018 0.2643896 -0.0298065), wk = 0.0025707 k( 34) = ( 0.2894737 0.2726518 -0.0307380), wk = 0.0025707 k( 35) = ( 0.2982456 0.2809140 -0.0316694), wk = 0.0025707 k( 36) = ( 0.3070175 0.2891761 -0.0326009), wk = 0.0025707 k( 37) = ( 0.3157895 0.2974383 -0.0335323), wk = 0.0025707 k( 38) = ( 0.3245614 0.3057005 -0.0344638), wk = 0.0025707 k( 39) = ( 0.3333333 0.3139627 -0.0353952), wk = 0.0025707 k( 40) = ( 0.3421053 0.3222248 -0.0363267), wk = 0.0025707 k( 41) = ( 0.3508772 0.3304870 -0.0372581), wk = 0.0025707 k( 42) = ( 0.3596491 0.3387492 -0.0381896), wk = 0.0025707 k( 43) = ( 0.3684211 0.3470114 -0.0391210), wk = 0.0025707 k( 44) = ( 0.3771930 0.3552735 -0.0400525), wk = 0.0025707 k( 45) = ( 0.3859649 0.3635357 -0.0409839), wk = 0.0025707 k( 46) = ( 0.3947368 0.3717979 -0.0419154), wk = 0.0025707 k( 47) = ( 0.4035088 0.3800601 -0.0428468), wk = 0.0025707 k( 48) = ( 0.4122807 0.3883222 -0.0437783), wk = 0.0025707 k( 49) = ( 0.4210526 0.3965844 -0.0447098), wk = 0.0025707 k( 50) = ( 0.4298246 0.4048466 -0.0456412), wk = 0.0025707 k( 51) = ( 0.4385965 0.4131088 -0.0465727), wk = 0.0025707 k( 52) = ( 0.4473684 0.4213709 -0.0475041), wk = 0.0025707 k( 53) = ( 0.4561404 0.4296331 -0.0484356), wk = 0.0025707 k( 54) = ( 0.4649123 0.4378953 -0.0493670), wk = 0.0025707 k( 55) = ( 0.4736842 0.4461575 -0.0502985), wk = 0.0025707 k( 56) = ( 0.4824561 0.4544197 -0.0512299), wk = 0.0025707 k( 57) = ( 0.4912281 0.4626818 -0.0521614), wk = 0.0025707 k( 58) = ( 0.5000000 0.4709440 -0.0530928), wk = 0.0025707 k( 59) = ( 0.5000000 0.4709440 -0.0530928), wk = 0.0025707 k( 60) = ( 0.5006750 0.4715798 -0.0410963), wk = 0.0025707 k( 61) = ( 0.5013500 0.4722156 -0.0290997), wk = 0.0025707 k( 62) = ( 0.5020251 0.4728514 -0.0171031), wk = 0.0025707 k( 63) = ( 0.5027001 0.4734872 -0.0051066), wk = 0.0025707 k( 64) = ( 0.5033751 0.4741230 0.0068900), wk = 0.0025707 k( 65) = ( 0.5040501 0.4747588 0.0188866), wk = 0.0025707 k( 66) = ( 0.5047251 0.4753945 0.0308832), wk = 0.0025707 k( 67) = ( 0.5054002 0.4760303 0.0428797), wk = 0.0025707 k( 68) = ( 0.5060752 0.4766661 0.0548763), wk = 0.0025707 k( 69) = ( 0.5067502 0.4773019 0.0668729), wk = 0.0025707 k( 70) = ( 0.5074252 0.4779377 0.0788694), wk = 0.0025707 k( 71) = ( 0.5081002 0.4785735 0.0908660), wk = 0.0025707 k( 72) = ( 0.5087753 0.4792093 0.1028626), wk = 0.0025707 k( 73) = ( 0.5094503 0.4798451 0.1148592), wk = 0.0025707 k( 74) = ( 0.5101253 0.4804809 0.1268557), wk = 0.0025707 k( 75) = ( 0.5108003 0.4811167 0.1388523), wk = 0.0025707 k( 76) = ( 0.5114753 0.4817525 0.1508489), wk = 0.0025707 k( 77) = ( 0.5121503 0.4823883 0.1628454), wk = 0.0025707 k( 78) = ( 0.5128254 0.4830241 0.1748420), wk = 0.0025707 k( 79) = ( 0.5135004 0.4836598 0.1868386), wk = 0.0025707 k( 80) = ( 0.5141754 0.4842956 0.1988351), wk = 0.0025707 k( 81) = ( 0.5148504 0.4849314 0.2108317), wk = 0.0025707 k( 82) = ( 0.5155254 0.4855672 0.2228283), wk = 0.0025707 k( 83) = ( 0.5162005 0.4862030 0.2348249), wk = 0.0025707 k( 84) = ( 0.5168755 0.4868388 0.2468214), wk = 0.0025707 k( 85) = ( 0.5175505 0.4874746 0.2588180), wk = 0.0025707 k( 86) = ( 0.5182255 0.4881104 0.2708146), wk = 0.0025707 k( 87) = ( 0.5189005 0.4887462 0.2828111), wk = 0.0025707 k( 88) = ( 0.5195755 0.4893820 0.2948077), wk = 0.0025707 k( 89) = ( 0.5202506 0.4900178 0.3068043), wk = 0.0025707 k( 90) = ( 0.5209256 0.4906536 0.3188009), wk = 0.0025707 k( 91) = ( 0.5216006 0.4912893 0.3307974), wk = 0.0025707 k( 92) = ( 0.5222756 0.4919251 0.3427940), wk = 0.0025707 k( 93) = ( 0.5229506 0.4925609 0.3547906), wk = 0.0025707 k( 94) = ( 0.5236257 0.4931967 0.3667871), wk = 0.0025707 k( 95) = ( 0.5243007 0.4938325 0.3787837), wk = 0.0025707 k( 96) = ( 0.5249757 0.4944683 0.3907803), wk = 0.0025707 k( 97) = ( 0.5256507 0.4951041 0.4027768), wk = 0.0025707 k( 98) = ( 0.5256507 0.4951041 0.4027768), wk = 0.0025707 k( 99) = ( 0.5213756 0.4910774 0.4116256), wk = 0.0025707 k( 100) = ( 0.5171005 0.4870507 0.4204744), wk = 0.0025707 k( 101) = ( 0.5128254 0.4830241 0.4293233), wk = 0.0025707 k( 102) = ( 0.5085502 0.4789974 0.4381721), wk = 0.0025707 k( 103) = ( 0.5042751 0.4749707 0.4470209), wk = 0.0025707 k( 104) = ( 0.5000000 0.4709440 0.4558697), wk = 0.0025707 k( 105) = ( 0.5000000 0.4709440 0.4558697), wk = 0.0025707 k( 106) = ( 0.5074704 0.4630127 0.4558697), wk = 0.0025707 k( 107) = ( 0.5149409 0.4550813 0.4558697), wk = 0.0025707 k( 108) = ( 0.5224113 0.4471500 0.4558697), wk = 0.0025707 k( 109) = ( 0.5298817 0.4392187 0.4558697), wk = 0.0025707 k( 110) = ( 0.5373521 0.4312873 0.4558697), wk = 0.0025707 k( 111) = ( 0.5448226 0.4233560 0.4558697), wk = 0.0025707 k( 112) = ( 0.5522930 0.4154247 0.4558697), wk = 0.0025707 k( 113) = ( 0.4477070 -0.4753293 0.5089625), wk = 0.0025707 k( 114) = ( 0.4395669 -0.4666870 0.5089625), wk = 0.0025707 k( 115) = ( 0.4314268 -0.4580446 0.5089625), wk = 0.0025707 k( 116) = ( 0.4232866 -0.4494023 0.5089625), wk = 0.0025707 k( 117) = ( 0.4151465 -0.4407599 0.5089625), wk = 0.0025707 k( 118) = ( 0.4070064 -0.4321176 0.5089625), wk = 0.0025707 k( 119) = ( 0.3988662 -0.4234752 0.5089625), wk = 0.0025707 k( 120) = ( 0.3907261 -0.4148329 0.5089625), wk = 0.0025707 k( 121) = ( 0.3825860 -0.4061905 0.5089625), wk = 0.0025707 k( 122) = ( 0.3744459 -0.3975482 0.5089625), wk = 0.0025707 k( 123) = ( 0.3663057 -0.3889058 0.5089625), wk = 0.0025707 k( 124) = ( 0.3581656 -0.3802635 0.5089625), wk = 0.0025707 k( 125) = ( 0.3500255 -0.3716211 0.5089625), wk = 0.0025707 k( 126) = ( 0.3418853 -0.3629788 0.5089625), wk = 0.0025707 k( 127) = ( 0.3337452 -0.3543364 0.5089625), wk = 0.0025707 k( 128) = ( 0.3256051 -0.3456941 0.5089625), wk = 0.0025707 k( 129) = ( 0.3174650 -0.3370517 0.5089625), wk = 0.0025707 k( 130) = ( 0.3093248 -0.3284094 0.5089625), wk = 0.0025707 k( 131) = ( 0.3011847 -0.3197670 0.5089625), wk = 0.0025707 k( 132) = ( 0.2930446 -0.3111247 0.5089625), wk = 0.0025707 k( 133) = ( 0.2849044 -0.3024823 0.5089625), wk = 0.0025707 k( 134) = ( 0.2767643 -0.2938400 0.5089625), wk = 0.0025707 k( 135) = ( 0.2686242 -0.2851976 0.5089625), wk = 0.0025707 k( 136) = ( 0.2604841 -0.2765552 0.5089625), wk = 0.0025707 k( 137) = ( 0.2523439 -0.2679129 0.5089625), wk = 0.0025707 k( 138) = ( 0.2442038 -0.2592705 0.5089625), wk = 0.0025707 k( 139) = ( 0.2360637 -0.2506282 0.5089625), wk = 0.0025707 k( 140) = ( 0.2279236 -0.2419858 0.5089625), wk = 0.0025707 k( 141) = ( 0.2197834 -0.2333435 0.5089625), wk = 0.0025707 k( 142) = ( 0.2116433 -0.2247011 0.5089625), wk = 0.0025707 k( 143) = ( 0.2035032 -0.2160588 0.5089625), wk = 0.0025707 k( 144) = ( 0.1953631 -0.2074164 0.5089625), wk = 0.0025707 k( 145) = ( 0.1872229 -0.1987741 0.5089625), wk = 0.0025707 k( 146) = ( 0.1790828 -0.1901317 0.5089625), wk = 0.0025707 k( 147) = ( 0.1709427 -0.1814894 0.5089625), wk = 0.0025707 k( 148) = ( 0.1628025 -0.1728470 0.5089625), wk = 0.0025707 k( 149) = ( 0.1546624 -0.1642047 0.5089625), wk = 0.0025707 k( 150) = ( 0.1465223 -0.1555623 0.5089625), wk = 0.0025707 k( 151) = ( 0.1383822 -0.1469200 0.5089625), wk = 0.0025707 k( 152) = ( 0.1302420 -0.1382776 0.5089625), wk = 0.0025707 k( 153) = ( 0.1221019 -0.1296353 0.5089625), wk = 0.0025707 k( 154) = ( 0.1139618 -0.1209929 0.5089625), wk = 0.0025707 k( 155) = ( 0.1058217 -0.1123506 0.5089625), wk = 0.0025707 k( 156) = ( 0.0976815 -0.1037082 0.5089625), wk = 0.0025707 k( 157) = ( 0.0895414 -0.0950659 0.5089625), wk = 0.0025707 k( 158) = ( 0.0814013 -0.0864235 0.5089625), wk = 0.0025707 k( 159) = ( 0.0732611 -0.0777812 0.5089625), wk = 0.0025707 k( 160) = ( 0.0651210 -0.0691388 0.5089625), wk = 0.0025707 k( 161) = ( 0.0569809 -0.0604965 0.5089625), wk = 0.0025707 k( 162) = ( 0.0488408 -0.0518541 0.5089625), wk = 0.0025707 k( 163) = ( 0.0407006 -0.0432118 0.5089625), wk = 0.0025707 k( 164) = ( 0.0325605 -0.0345694 0.5089625), wk = 0.0025707 k( 165) = ( 0.0244204 -0.0259271 0.5089625), wk = 0.0025707 k( 166) = ( 0.0162802 -0.0172847 0.5089625), wk = 0.0025707 k( 167) = ( 0.0081401 -0.0086424 0.5089625), wk = 0.0025707 k( 168) = ( 0.0000000 0.0000000 0.5089625), wk = 0.0025707 k( 169) = ( 0.0000000 0.0000000 0.5089625), wk = 0.0025707 k( 170) = ( 0.0087843 0.0082738 0.5089625), wk = 0.0025707 k( 171) = ( 0.0175685 0.0165476 0.5089625), wk = 0.0025707 k( 172) = ( 0.0263527 0.0248213 0.5089625), wk = 0.0025707 k( 173) = ( 0.0351370 0.0330951 0.5089625), wk = 0.0025707 k( 174) = ( 0.0439212 0.0413689 0.5089625), wk = 0.0025707 k( 175) = ( 0.0527055 0.0496427 0.5089625), wk = 0.0025707 k( 176) = ( 0.0614897 0.0579164 0.5089625), wk = 0.0025707 k( 177) = ( 0.0702740 0.0661902 0.5089625), wk = 0.0025707 k( 178) = ( 0.0790582 0.0744640 0.5089625), wk = 0.0025707 k( 179) = ( 0.0878425 0.0827378 0.5089625), wk = 0.0025707 k( 180) = ( 0.0966267 0.0910115 0.5089625), wk = 0.0025707 k( 181) = ( 0.1054110 0.0992853 0.5089625), wk = 0.0025707 k( 182) = ( 0.1141952 0.1075591 0.5089625), wk = 0.0025707 k( 183) = ( 0.1229794 0.1158329 0.5089625), wk = 0.0025707 k( 184) = ( 0.1317637 0.1241066 0.5089625), wk = 0.0025707 k( 185) = ( 0.1405479 0.1323804 0.5089625), wk = 0.0025707 k( 186) = ( 0.1493322 0.1406542 0.5089625), wk = 0.0025707 k( 187) = ( 0.1581164 0.1489280 0.5089625), wk = 0.0025707 k( 188) = ( 0.1669007 0.1572017 0.5089625), wk = 0.0025707 k( 189) = ( 0.1756849 0.1654755 0.5089625), wk = 0.0025707 k( 190) = ( 0.1844692 0.1737493 0.5089625), wk = 0.0025707 k( 191) = ( 0.1932534 0.1820231 0.5089625), wk = 0.0025707 k( 192) = ( 0.2020377 0.1902968 0.5089625), wk = 0.0025707 k( 193) = ( 0.2108219 0.1985706 0.5089625), wk = 0.0025707 k( 194) = ( 0.2196061 0.2068444 0.5089625), wk = 0.0025707 k( 195) = ( 0.2283904 0.2151182 0.5089625), wk = 0.0025707 k( 196) = ( 0.2371746 0.2233919 0.5089625), wk = 0.0025707 k( 197) = ( 0.2459589 0.2316657 0.5089625), wk = 0.0025707 k( 198) = ( 0.2547431 0.2399395 0.5089625), wk = 0.0025707 k( 199) = ( 0.2635274 0.2482133 0.5089625), wk = 0.0025707 k( 200) = ( 0.2723116 0.2564871 0.5089625), wk = 0.0025707 k( 201) = ( 0.2810959 0.2647608 0.5089625), wk = 0.0025707 k( 202) = ( 0.2898801 0.2730346 0.5089625), wk = 0.0025707 k( 203) = ( 0.2986644 0.2813084 0.5089625), wk = 0.0025707 k( 204) = ( 0.3074486 0.2895822 0.5089625), wk = 0.0025707 k( 205) = ( 0.3162329 0.2978559 0.5089625), wk = 0.0025707 k( 206) = ( 0.3250171 0.3061297 0.5089625), wk = 0.0025707 k( 207) = ( 0.3338013 0.3144035 0.5089625), wk = 0.0025707 k( 208) = ( 0.3425856 0.3226773 0.5089625), wk = 0.0025707 k( 209) = ( 0.3513698 0.3309510 0.5089625), wk = 0.0025707 k( 210) = ( 0.3601541 0.3392248 0.5089625), wk = 0.0025707 k( 211) = ( 0.3689383 0.3474986 0.5089625), wk = 0.0025707 k( 212) = ( 0.3777226 0.3557724 0.5089625), wk = 0.0025707 k( 213) = ( 0.3865068 0.3640461 0.5089625), wk = 0.0025707 k( 214) = ( 0.3952911 0.3723199 0.5089625), wk = 0.0025707 k( 215) = ( 0.4040753 0.3805937 0.5089625), wk = 0.0025707 k( 216) = ( 0.4128596 0.3888675 0.5089625), wk = 0.0025707 k( 217) = ( 0.4216438 0.3971412 0.5089625), wk = 0.0025707 k( 218) = ( 0.4304281 0.4054150 0.5089625), wk = 0.0025707 k( 219) = ( 0.4392123 0.4136888 0.5089625), wk = 0.0025707 k( 220) = ( 0.4479965 0.4219626 0.5089625), wk = 0.0025707 k( 221) = ( 0.4567808 0.4302363 0.5089625), wk = 0.0025707 k( 222) = ( 0.4655650 0.4385101 0.5089625), wk = 0.0025707 k( 223) = ( 0.4743493 0.4467839 0.5089625), wk = 0.0025707 k( 224) = ( 0.5000000 0.4709440 -0.0530928), wk = 0.0025707 k( 225) = ( 0.5067217 0.4638076 -0.0530928), wk = 0.0025707 k( 226) = ( 0.5134433 0.4566713 -0.0530928), wk = 0.0025707 k( 227) = ( 0.5201649 0.4495349 -0.0530928), wk = 0.0025707 k( 228) = ( 0.5268866 0.4423986 -0.0530928), wk = 0.0025707 k( 229) = ( 0.4731134 -0.5023032 -0.0000000), wk = 0.0025707 k( 230) = ( 0.4649563 -0.4936428 -0.0000000), wk = 0.0025707 k( 231) = ( 0.4567991 -0.4849824 0.0000000), wk = 0.0025707 k( 232) = ( 0.4486420 -0.4763220 -0.0000000), wk = 0.0025707 k( 233) = ( 0.4404849 -0.4676616 -0.0000000), wk = 0.0025707 k( 234) = ( 0.4323278 -0.4590012 -0.0000000), wk = 0.0025707 k( 235) = ( 0.4241706 -0.4503408 0.0000000), wk = 0.0025707 k( 236) = ( 0.4160135 -0.4416804 0.0000000), wk = 0.0025707 k( 237) = ( 0.4078564 -0.4330200 -0.0000000), wk = 0.0025707 k( 238) = ( 0.3996993 -0.4243596 -0.0000000), wk = 0.0025707 k( 239) = ( 0.3915421 -0.4156992 0.0000000), wk = 0.0025707 k( 240) = ( 0.3833850 -0.4070388 0.0000000), wk = 0.0025707 k( 241) = ( 0.3752279 -0.3983784 -0.0000000), wk = 0.0025707 k( 242) = ( 0.3670707 -0.3897180 -0.0000000), wk = 0.0025707 k( 243) = ( 0.3589136 -0.3810576 0.0000000), wk = 0.0025707 k( 244) = ( 0.3507565 -0.3723972 0.0000000), wk = 0.0025707 k( 245) = ( 0.3425994 -0.3637368 -0.0000000), wk = 0.0025707 k( 246) = ( 0.3344422 -0.3550764 -0.0000000), wk = 0.0025707 k( 247) = ( 0.3262851 -0.3464160 0.0000000), wk = 0.0025707 k( 248) = ( 0.3181280 -0.3377556 0.0000000), wk = 0.0025707 k( 249) = ( 0.3099709 -0.3290952 -0.0000000), wk = 0.0025707 k( 250) = ( 0.3018137 -0.3204348 -0.0000000), wk = 0.0025707 k( 251) = ( 0.2936566 -0.3117744 -0.0000000), wk = 0.0025707 k( 252) = ( 0.2854995 -0.3031140 -0.0000000), wk = 0.0025707 k( 253) = ( 0.2773423 -0.2944536 -0.0000000), wk = 0.0025707 k( 254) = ( 0.2691852 -0.2857932 -0.0000000), wk = 0.0025707 k( 255) = ( 0.2610281 -0.2771328 -0.0000000), wk = 0.0025707 k( 256) = ( 0.2528709 -0.2684724 -0.0000000), wk = 0.0025707 k( 257) = ( 0.2447138 -0.2598120 -0.0000000), wk = 0.0025707 k( 258) = ( 0.2365567 -0.2511516 -0.0000000), wk = 0.0025707 k( 259) = ( 0.2283996 -0.2424912 0.0000000), wk = 0.0025707 k( 260) = ( 0.2202424 -0.2338308 -0.0000000), wk = 0.0025707 k( 261) = ( 0.2120853 -0.2251704 -0.0000000), wk = 0.0025707 k( 262) = ( 0.2039282 -0.2165100 -0.0000000), wk = 0.0025707 k( 263) = ( 0.1957711 -0.2078496 0.0000000), wk = 0.0025707 k( 264) = ( 0.1876139 -0.1991892 -0.0000000), wk = 0.0025707 k( 265) = ( 0.1794568 -0.1905288 -0.0000000), wk = 0.0025707 k( 266) = ( 0.1712997 -0.1818684 -0.0000000), wk = 0.0025707 k( 267) = ( 0.1631425 -0.1732080 0.0000000), wk = 0.0025707 k( 268) = ( 0.1549854 -0.1645476 -0.0000000), wk = 0.0025707 k( 269) = ( 0.1468283 -0.1558872 -0.0000000), wk = 0.0025707 k( 270) = ( 0.1386712 -0.1472268 -0.0000000), wk = 0.0025707 k( 271) = ( 0.1305140 -0.1385664 -0.0000000), wk = 0.0025707 k( 272) = ( 0.1223569 -0.1299060 -0.0000000), wk = 0.0025707 k( 273) = ( 0.1141998 -0.1212456 -0.0000000), wk = 0.0025707 k( 274) = ( 0.1060427 -0.1125852 -0.0000000), wk = 0.0025707 k( 275) = ( 0.0978855 -0.1039248 0.0000000), wk = 0.0025707 k( 276) = ( 0.0897284 -0.0952644 -0.0000000), wk = 0.0025707 k( 277) = ( 0.0815713 -0.0866040 -0.0000000), wk = 0.0025707 k( 278) = ( 0.0734141 -0.0779436 -0.0000000), wk = 0.0025707 k( 279) = ( 0.0652570 -0.0692832 -0.0000000), wk = 0.0025707 k( 280) = ( 0.0570999 -0.0606228 -0.0000000), wk = 0.0025707 k( 281) = ( 0.0489428 -0.0519624 -0.0000000), wk = 0.0025707 k( 282) = ( 0.0407856 -0.0433020 -0.0000000), wk = 0.0025707 k( 283) = ( 0.0326285 -0.0346416 -0.0000000), wk = 0.0025707 k( 284) = ( 0.0244714 -0.0259812 -0.0000000), wk = 0.0025707 k( 285) = ( 0.0163143 -0.0173208 -0.0000000), wk = 0.0025707 k( 286) = ( 0.0081571 -0.0086604 -0.0000000), wk = 0.0025707 k( 287) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025707 k( 288) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025707 k( 289) = ( 0.0119048 -0.0007132 -0.0006321), wk = 0.0025707 k( 290) = ( 0.0238095 -0.0014263 -0.0012641), wk = 0.0025707 k( 291) = ( 0.0357143 -0.0021395 -0.0018962), wk = 0.0025707 k( 292) = ( 0.0476191 -0.0028526 -0.0025282), wk = 0.0025707 k( 293) = ( 0.0595238 -0.0035658 -0.0031603), wk = 0.0025707 k( 294) = ( 0.0714286 -0.0042789 -0.0037923), wk = 0.0025707 k( 295) = ( 0.0833333 -0.0049921 -0.0044244), wk = 0.0025707 k( 296) = ( 0.0952381 -0.0057052 -0.0050565), wk = 0.0025707 k( 297) = ( 0.1071429 -0.0064184 -0.0056885), wk = 0.0025707 k( 298) = ( 0.1190476 -0.0071315 -0.0063206), wk = 0.0025707 k( 299) = ( 0.1309524 -0.0078447 -0.0069526), wk = 0.0025707 k( 300) = ( 0.1428571 -0.0085578 -0.0075847), wk = 0.0025707 k( 301) = ( 0.1547619 -0.0092710 -0.0082167), wk = 0.0025707 k( 302) = ( 0.1666667 -0.0099841 -0.0088488), wk = 0.0025707 k( 303) = ( 0.1785714 -0.0106973 -0.0094809), wk = 0.0025707 k( 304) = ( 0.1904762 -0.0114104 -0.0101129), wk = 0.0025707 k( 305) = ( 0.2023810 -0.0121236 -0.0107450), wk = 0.0025707 k( 306) = ( 0.2142857 -0.0128367 -0.0113770), wk = 0.0025707 k( 307) = ( 0.2261905 -0.0135499 -0.0120091), wk = 0.0025707 k( 308) = ( 0.2380952 -0.0142630 -0.0126412), wk = 0.0025707 k( 309) = ( 0.2500000 -0.0149762 -0.0132732), wk = 0.0025707 k( 310) = ( 0.2619048 -0.0156893 -0.0139053), wk = 0.0025707 k( 311) = ( 0.2738095 -0.0164025 -0.0145373), wk = 0.0025707 k( 312) = ( 0.2857143 -0.0171156 -0.0151694), wk = 0.0025707 k( 313) = ( 0.2976190 -0.0178288 -0.0158014), wk = 0.0025707 k( 314) = ( 0.3095238 -0.0185419 -0.0164335), wk = 0.0025707 k( 315) = ( 0.3214286 -0.0192551 -0.0170656), wk = 0.0025707 k( 316) = ( 0.3333333 -0.0199682 -0.0176976), wk = 0.0025707 k( 317) = ( 0.3452381 -0.0206814 -0.0183297), wk = 0.0025707 k( 318) = ( 0.3571429 -0.0213945 -0.0189617), wk = 0.0025707 k( 319) = ( 0.3690476 -0.0221077 -0.0195938), wk = 0.0025707 k( 320) = ( 0.3809524 -0.0228208 -0.0202258), wk = 0.0025707 k( 321) = ( 0.3928571 -0.0235340 -0.0208579), wk = 0.0025707 k( 322) = ( 0.4047619 -0.0242471 -0.0214900), wk = 0.0025707 k( 323) = ( 0.4166667 -0.0249603 -0.0221220), wk = 0.0025707 k( 324) = ( 0.4285714 -0.0256734 -0.0227541), wk = 0.0025707 k( 325) = ( 0.4404762 -0.0263866 -0.0233861), wk = 0.0025707 k( 326) = ( 0.4523810 -0.0270997 -0.0240182), wk = 0.0025707 k( 327) = ( 0.4642857 -0.0278129 -0.0246502), wk = 0.0025707 k( 328) = ( 0.4761905 -0.0285260 -0.0252823), wk = 0.0025707 k( 329) = ( 0.4880952 -0.0292392 -0.0259144), wk = 0.0025707 k( 330) = ( 0.5000000 -0.0299523 -0.0265464), wk = 0.0025707 k( 331) = ( 0.5000000 -0.0299523 0.4824161), wk = 0.0025707 k( 332) = ( 0.4913793 -0.0294359 0.4740986), wk = 0.0025707 k( 333) = ( 0.4827586 -0.0289195 0.4657811), wk = 0.0025707 k( 334) = ( 0.4741379 -0.0284031 0.4574635), wk = 0.0025707 k( 335) = ( 0.4655172 -0.0278867 0.4491460), wk = 0.0025707 k( 336) = ( 0.4568966 -0.0273702 0.4408285), wk = 0.0025707 k( 337) = ( 0.4482759 -0.0268538 0.4325110), wk = 0.0025707 k( 338) = ( 0.4396552 -0.0263374 0.4241935), wk = 0.0025707 k( 339) = ( 0.4310345 -0.0258210 0.4158759), wk = 0.0025707 k( 340) = ( 0.4224138 -0.0253046 0.4075584), wk = 0.0025707 k( 341) = ( 0.4137931 -0.0247881 0.3992409), wk = 0.0025707 k( 342) = ( 0.4051724 -0.0242717 0.3909234), wk = 0.0025707 k( 343) = ( 0.3965517 -0.0237553 0.3826059), wk = 0.0025707 k( 344) = ( 0.3879310 -0.0232389 0.3742883), wk = 0.0025707 k( 345) = ( 0.3793103 -0.0227225 0.3659708), wk = 0.0025707 k( 346) = ( 0.3706897 -0.0222060 0.3576533), wk = 0.0025707 k( 347) = ( 0.3620690 -0.0216896 0.3493358), wk = 0.0025707 k( 348) = ( 0.3534483 -0.0211732 0.3410183), wk = 0.0025707 k( 349) = ( 0.3448276 -0.0206568 0.3327008), wk = 0.0025707 k( 350) = ( 0.3362069 -0.0201404 0.3243832), wk = 0.0025707 k( 351) = ( 0.3275862 -0.0196239 0.3160657), wk = 0.0025707 k( 352) = ( 0.3189655 -0.0191075 0.3077482), wk = 0.0025707 k( 353) = ( 0.3103448 -0.0185911 0.2994307), wk = 0.0025707 k( 354) = ( 0.3017241 -0.0180747 0.2911132), wk = 0.0025707 k( 355) = ( 0.2931034 -0.0175583 0.2827956), wk = 0.0025707 k( 356) = ( 0.2844828 -0.0170418 0.2744781), wk = 0.0025707 k( 357) = ( 0.2758621 -0.0165254 0.2661606), wk = 0.0025707 k( 358) = ( 0.2672414 -0.0160090 0.2578431), wk = 0.0025707 k( 359) = ( 0.2586207 -0.0154926 0.2495256), wk = 0.0025707 k( 360) = ( 0.2500000 -0.0149762 0.2412080), wk = 0.0025707 k( 361) = ( 0.2413793 -0.0144597 0.2328905), wk = 0.0025707 k( 362) = ( 0.2327586 -0.0139433 0.2245730), wk = 0.0025707 k( 363) = ( 0.2241379 -0.0134269 0.2162555), wk = 0.0025707 k( 364) = ( 0.2155172 -0.0129105 0.2079380), wk = 0.0025707 k( 365) = ( 0.2068966 -0.0123941 0.1996205), wk = 0.0025707 k( 366) = ( 0.1982759 -0.0118777 0.1913029), wk = 0.0025707 k( 367) = ( 0.1896552 -0.0113612 0.1829854), wk = 0.0025707 k( 368) = ( 0.1810345 -0.0108448 0.1746679), wk = 0.0025707 k( 369) = ( 0.1724138 -0.0103284 0.1663504), wk = 0.0025707 k( 370) = ( 0.1637931 -0.0098120 0.1580329), wk = 0.0025707 k( 371) = ( 0.1551724 -0.0092956 0.1497153), wk = 0.0025707 k( 372) = ( 0.1465517 -0.0087791 0.1413978), wk = 0.0025707 k( 373) = ( 0.1379310 -0.0082627 0.1330803), wk = 0.0025707 k( 374) = ( 0.1293103 -0.0077463 0.1247628), wk = 0.0025707 k( 375) = ( 0.1206897 -0.0072299 0.1164453), wk = 0.0025707 k( 376) = ( 0.1120690 -0.0067135 0.1081277), wk = 0.0025707 k( 377) = ( 0.1034483 -0.0061970 0.0998102), wk = 0.0025707 k( 378) = ( 0.0948276 -0.0056806 0.0914927), wk = 0.0025707 k( 379) = ( 0.0862069 -0.0051642 0.0831752), wk = 0.0025707 k( 380) = ( 0.0775862 -0.0046478 0.0748577), wk = 0.0025707 k( 381) = ( 0.0689655 -0.0041314 0.0665402), wk = 0.0025707 k( 382) = ( 0.0603448 -0.0036149 0.0582226), wk = 0.0025707 k( 383) = ( 0.0517241 -0.0030985 0.0499051), wk = 0.0025707 k( 384) = ( 0.0431035 -0.0025821 0.0415876), wk = 0.0025707 k( 385) = ( 0.0344828 -0.0020657 0.0332701), wk = 0.0025707 k( 386) = ( 0.0258621 -0.0015493 0.0249526), wk = 0.0025707 k( 387) = ( 0.0172414 -0.0010328 0.0166350), wk = 0.0025707 k( 388) = ( 0.0086207 -0.0005164 0.0083175), wk = 0.0025707 k( 389) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025707 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025707 k( 2) = ( 0.0087719 0.0087719 0.0000000), wk = 0.0025707 k( 3) = ( 0.0175439 0.0175439 0.0000000), wk = 0.0025707 k( 4) = ( 0.0263158 0.0263158 0.0000000), wk = 0.0025707 k( 5) = ( 0.0350877 0.0350877 0.0000000), wk = 0.0025707 k( 6) = ( 0.0438597 0.0438597 -0.0000000), wk = 0.0025707 k( 7) = ( 0.0526316 0.0526316 0.0000000), wk = 0.0025707 k( 8) = ( 0.0614035 0.0614035 -0.0000000), wk = 0.0025707 k( 9) = ( 0.0701754 0.0701754 0.0000000), wk = 0.0025707 k( 10) = ( 0.0789474 0.0789474 -0.0000000), wk = 0.0025707 k( 11) = ( 0.0877193 0.0877193 -0.0000000), wk = 0.0025707 k( 12) = ( 0.0964912 0.0964912 0.0000000), wk = 0.0025707 k( 13) = ( 0.1052632 0.1052632 0.0000000), wk = 0.0025707 k( 14) = ( 0.1140351 0.1140351 0.0000000), wk = 0.0025707 k( 15) = ( 0.1228070 0.1228070 -0.0000000), wk = 0.0025707 k( 16) = ( 0.1315790 0.1315790 0.0000000), wk = 0.0025707 k( 17) = ( 0.1403509 0.1403509 0.0000000), wk = 0.0025707 k( 18) = ( 0.1491228 0.1491228 -0.0000000), wk = 0.0025707 k( 19) = ( 0.1578947 0.1578947 -0.0000000), wk = 0.0025707 k( 20) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0025707 k( 21) = ( 0.1754386 0.1754386 -0.0000000), wk = 0.0025707 k( 22) = ( 0.1842105 0.1842105 -0.0000000), wk = 0.0025707 k( 23) = ( 0.1929825 0.1929825 0.0000000), wk = 0.0025707 k( 24) = ( 0.2017544 0.2017544 0.0000000), wk = 0.0025707 k( 25) = ( 0.2105263 0.2105263 0.0000000), wk = 0.0025707 k( 26) = ( 0.2192983 0.2192983 0.0000000), wk = 0.0025707 k( 27) = ( 0.2280702 0.2280702 0.0000000), wk = 0.0025707 k( 28) = ( 0.2368421 0.2368421 0.0000000), wk = 0.0025707 k( 29) = ( 0.2456140 0.2456140 -0.0000000), wk = 0.0025707 k( 30) = ( 0.2543860 0.2543860 0.0000000), wk = 0.0025707 k( 31) = ( 0.2631579 0.2631579 0.0000000), wk = 0.0025707 k( 32) = ( 0.2719298 0.2719298 0.0000000), wk = 0.0025707 k( 33) = ( 0.2807018 0.2807017 -0.0000000), wk = 0.0025707 k( 34) = ( 0.2894737 0.2894737 0.0000000), wk = 0.0025707 k( 35) = ( 0.2982456 0.2982456 -0.0000000), wk = 0.0025707 k( 36) = ( 0.3070175 0.3070175 0.0000000), wk = 0.0025707 k( 37) = ( 0.3157895 0.3157895 -0.0000000), wk = 0.0025707 k( 38) = ( 0.3245614 0.3245614 0.0000000), wk = 0.0025707 k( 39) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0025707 k( 40) = ( 0.3421053 0.3421053 -0.0000000), wk = 0.0025707 k( 41) = ( 0.3508772 0.3508772 0.0000000), wk = 0.0025707 k( 42) = ( 0.3596491 0.3596491 0.0000000), wk = 0.0025707 k( 43) = ( 0.3684211 0.3684211 0.0000000), wk = 0.0025707 k( 44) = ( 0.3771930 0.3771930 0.0000000), wk = 0.0025707 k( 45) = ( 0.3859649 0.3859649 0.0000000), wk = 0.0025707 k( 46) = ( 0.3947368 0.3947368 0.0000000), wk = 0.0025707 k( 47) = ( 0.4035088 0.4035088 0.0000000), wk = 0.0025707 k( 48) = ( 0.4122807 0.4122807 0.0000000), wk = 0.0025707 k( 49) = ( 0.4210526 0.4210526 -0.0000000), wk = 0.0025707 k( 50) = ( 0.4298246 0.4298246 0.0000000), wk = 0.0025707 k( 51) = ( 0.4385965 0.4385965 0.0000000), wk = 0.0025707 k( 52) = ( 0.4473684 0.4473684 0.0000000), wk = 0.0025707 k( 53) = ( 0.4561404 0.4561404 0.0000000), wk = 0.0025707 k( 54) = ( 0.4649123 0.4649123 -0.0000000), wk = 0.0025707 k( 55) = ( 0.4736842 0.4736842 -0.0000000), wk = 0.0025707 k( 56) = ( 0.4824561 0.4824561 -0.0000000), wk = 0.0025707 k( 57) = ( 0.4912281 0.4912281 -0.0000000), wk = 0.0025707 k( 58) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025707 k( 59) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025707 k( 60) = ( 0.5006750 0.5006750 0.0118557), wk = 0.0025707 k( 61) = ( 0.5013500 0.5013500 0.0237115), wk = 0.0025707 k( 62) = ( 0.5020251 0.5020251 0.0355672), wk = 0.0025707 k( 63) = ( 0.5027001 0.5027001 0.0474229), wk = 0.0025707 k( 64) = ( 0.5033751 0.5033751 0.0592787), wk = 0.0025707 k( 65) = ( 0.5040501 0.5040501 0.0711344), wk = 0.0025707 k( 66) = ( 0.5047251 0.5047251 0.0829901), wk = 0.0025707 k( 67) = ( 0.5054002 0.5054002 0.0948459), wk = 0.0025707 k( 68) = ( 0.5060752 0.5060752 0.1067016), wk = 0.0025707 k( 69) = ( 0.5067502 0.5067502 0.1185573), wk = 0.0025707 k( 70) = ( 0.5074252 0.5074252 0.1304131), wk = 0.0025707 k( 71) = ( 0.5081002 0.5081002 0.1422688), wk = 0.0025707 k( 72) = ( 0.5087753 0.5087753 0.1541245), wk = 0.0025707 k( 73) = ( 0.5094503 0.5094503 0.1659803), wk = 0.0025707 k( 74) = ( 0.5101253 0.5101253 0.1778360), wk = 0.0025707 k( 75) = ( 0.5108003 0.5108003 0.1896917), wk = 0.0025707 k( 76) = ( 0.5114753 0.5114753 0.2015475), wk = 0.0025707 k( 77) = ( 0.5121503 0.5121503 0.2134032), wk = 0.0025707 k( 78) = ( 0.5128254 0.5128254 0.2252589), wk = 0.0025707 k( 79) = ( 0.5135004 0.5135004 0.2371147), wk = 0.0025707 k( 80) = ( 0.5141754 0.5141754 0.2489704), wk = 0.0025707 k( 81) = ( 0.5148504 0.5148504 0.2608261), wk = 0.0025707 k( 82) = ( 0.5155254 0.5155254 0.2726819), wk = 0.0025707 k( 83) = ( 0.5162005 0.5162005 0.2845376), wk = 0.0025707 k( 84) = ( 0.5168755 0.5168755 0.2963933), wk = 0.0025707 k( 85) = ( 0.5175505 0.5175505 0.3082491), wk = 0.0025707 k( 86) = ( 0.5182255 0.5182255 0.3201048), wk = 0.0025707 k( 87) = ( 0.5189005 0.5189005 0.3319605), wk = 0.0025707 k( 88) = ( 0.5195755 0.5195755 0.3438163), wk = 0.0025707 k( 89) = ( 0.5202506 0.5202506 0.3556720), wk = 0.0025707 k( 90) = ( 0.5209256 0.5209256 0.3675277), wk = 0.0025707 k( 91) = ( 0.5216006 0.5216006 0.3793835), wk = 0.0025707 k( 92) = ( 0.5222756 0.5222756 0.3912392), wk = 0.0025707 k( 93) = ( 0.5229506 0.5229506 0.4030949), wk = 0.0025707 k( 94) = ( 0.5236257 0.5236257 0.4149507), wk = 0.0025707 k( 95) = ( 0.5243007 0.5243007 0.4268064), wk = 0.0025707 k( 96) = ( 0.5249757 0.5249757 0.4386621), wk = 0.0025707 k( 97) = ( 0.5256507 0.5256507 0.4505179), wk = 0.0025707 k( 98) = ( 0.5256507 0.5256507 0.4505179), wk = 0.0025707 k( 99) = ( 0.5213756 0.5213756 0.4587649), wk = 0.0025707 k( 100) = ( 0.5171005 0.5171005 0.4670119), wk = 0.0025707 k( 101) = ( 0.5128254 0.5128254 0.4752589), wk = 0.0025707 k( 102) = ( 0.5085502 0.5085502 0.4835060), wk = 0.0025707 k( 103) = ( 0.5042751 0.5042751 0.4917530), wk = 0.0025707 k( 104) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025707 k( 105) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025707 k( 106) = ( 0.5074704 0.4925296 0.5000000), wk = 0.0025707 k( 107) = ( 0.5149409 0.4850591 0.5000000), wk = 0.0025707 k( 108) = ( 0.5224113 0.4775887 0.5000000), wk = 0.0025707 k( 109) = ( 0.5298817 0.4701183 0.5000000), wk = 0.0025707 k( 110) = ( 0.5373521 0.4626479 0.5000000), wk = 0.0025707 k( 111) = ( 0.5448226 0.4551774 0.5000000), wk = 0.0025707 k( 112) = ( 0.5522930 0.4477070 0.5000000), wk = 0.0025707 k( 113) = ( 0.4477070 -0.4477070 0.5000000), wk = 0.0025707 k( 114) = ( 0.4395669 -0.4395669 0.5000000), wk = 0.0025707 k( 115) = ( 0.4314268 -0.4314268 0.5000000), wk = 0.0025707 k( 116) = ( 0.4232866 -0.4232866 0.5000000), wk = 0.0025707 k( 117) = ( 0.4151465 -0.4151465 0.5000000), wk = 0.0025707 k( 118) = ( 0.4070064 -0.4070064 0.5000000), wk = 0.0025707 k( 119) = ( 0.3988662 -0.3988662 0.5000000), wk = 0.0025707 k( 120) = ( 0.3907261 -0.3907261 0.5000000), wk = 0.0025707 k( 121) = ( 0.3825860 -0.3825860 0.5000000), wk = 0.0025707 k( 122) = ( 0.3744459 -0.3744459 0.5000000), wk = 0.0025707 k( 123) = ( 0.3663057 -0.3663057 0.5000000), wk = 0.0025707 k( 124) = ( 0.3581656 -0.3581656 0.5000000), wk = 0.0025707 k( 125) = ( 0.3500255 -0.3500255 0.5000000), wk = 0.0025707 k( 126) = ( 0.3418853 -0.3418853 0.5000000), wk = 0.0025707 k( 127) = ( 0.3337452 -0.3337452 0.5000000), wk = 0.0025707 k( 128) = ( 0.3256051 -0.3256051 0.5000000), wk = 0.0025707 k( 129) = ( 0.3174650 -0.3174650 0.5000000), wk = 0.0025707 k( 130) = ( 0.3093248 -0.3093248 0.5000000), wk = 0.0025707 k( 131) = ( 0.3011847 -0.3011847 0.5000000), wk = 0.0025707 k( 132) = ( 0.2930446 -0.2930446 0.5000000), wk = 0.0025707 k( 133) = ( 0.2849044 -0.2849044 0.5000000), wk = 0.0025707 k( 134) = ( 0.2767643 -0.2767643 0.5000000), wk = 0.0025707 k( 135) = ( 0.2686242 -0.2686242 0.5000000), wk = 0.0025707 k( 136) = ( 0.2604841 -0.2604841 0.5000000), wk = 0.0025707 k( 137) = ( 0.2523439 -0.2523439 0.5000000), wk = 0.0025707 k( 138) = ( 0.2442038 -0.2442038 0.5000000), wk = 0.0025707 k( 139) = ( 0.2360637 -0.2360637 0.5000000), wk = 0.0025707 k( 140) = ( 0.2279236 -0.2279236 0.5000000), wk = 0.0025707 k( 141) = ( 0.2197834 -0.2197834 0.5000000), wk = 0.0025707 k( 142) = ( 0.2116433 -0.2116433 0.5000000), wk = 0.0025707 k( 143) = ( 0.2035032 -0.2035032 0.5000000), wk = 0.0025707 k( 144) = ( 0.1953631 -0.1953631 0.5000000), wk = 0.0025707 k( 145) = ( 0.1872229 -0.1872229 0.5000000), wk = 0.0025707 k( 146) = ( 0.1790828 -0.1790828 0.5000000), wk = 0.0025707 k( 147) = ( 0.1709427 -0.1709427 0.5000000), wk = 0.0025707 k( 148) = ( 0.1628025 -0.1628025 0.5000000), wk = 0.0025707 k( 149) = ( 0.1546624 -0.1546624 0.5000000), wk = 0.0025707 k( 150) = ( 0.1465223 -0.1465223 0.5000000), wk = 0.0025707 k( 151) = ( 0.1383822 -0.1383822 0.5000000), wk = 0.0025707 k( 152) = ( 0.1302420 -0.1302420 0.5000000), wk = 0.0025707 k( 153) = ( 0.1221019 -0.1221019 0.5000000), wk = 0.0025707 k( 154) = ( 0.1139618 -0.1139618 0.5000000), wk = 0.0025707 k( 155) = ( 0.1058217 -0.1058217 0.5000000), wk = 0.0025707 k( 156) = ( 0.0976815 -0.0976815 0.5000000), wk = 0.0025707 k( 157) = ( 0.0895414 -0.0895414 0.5000000), wk = 0.0025707 k( 158) = ( 0.0814013 -0.0814013 0.5000000), wk = 0.0025707 k( 159) = ( 0.0732611 -0.0732612 0.5000000), wk = 0.0025707 k( 160) = ( 0.0651210 -0.0651210 0.5000000), wk = 0.0025707 k( 161) = ( 0.0569809 -0.0569809 0.5000000), wk = 0.0025707 k( 162) = ( 0.0488408 -0.0488408 0.5000000), wk = 0.0025707 k( 163) = ( 0.0407006 -0.0407006 0.5000000), wk = 0.0025707 k( 164) = ( 0.0325605 -0.0325605 0.5000000), wk = 0.0025707 k( 165) = ( 0.0244204 -0.0244204 0.5000000), wk = 0.0025707 k( 166) = ( 0.0162802 -0.0162802 0.5000000), wk = 0.0025707 k( 167) = ( 0.0081401 -0.0081401 0.5000000), wk = 0.0025707 k( 168) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025707 k( 169) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025707 k( 170) = ( 0.0087843 0.0087843 0.5009163), wk = 0.0025707 k( 171) = ( 0.0175685 0.0175685 0.5018327), wk = 0.0025707 k( 172) = ( 0.0263527 0.0263527 0.5027490), wk = 0.0025707 k( 173) = ( 0.0351370 0.0351370 0.5036653), wk = 0.0025707 k( 174) = ( 0.0439212 0.0439212 0.5045817), wk = 0.0025707 k( 175) = ( 0.0527055 0.0527055 0.5054980), wk = 0.0025707 k( 176) = ( 0.0614897 0.0614897 0.5064143), wk = 0.0025707 k( 177) = ( 0.0702740 0.0702740 0.5073307), wk = 0.0025707 k( 178) = ( 0.0790582 0.0790582 0.5082470), wk = 0.0025707 k( 179) = ( 0.0878425 0.0878425 0.5091634), wk = 0.0025707 k( 180) = ( 0.0966267 0.0966267 0.5100797), wk = 0.0025707 k( 181) = ( 0.1054110 0.1054110 0.5109960), wk = 0.0025707 k( 182) = ( 0.1141952 0.1141952 0.5119124), wk = 0.0025707 k( 183) = ( 0.1229794 0.1229794 0.5128287), wk = 0.0025707 k( 184) = ( 0.1317637 0.1317637 0.5137450), wk = 0.0025707 k( 185) = ( 0.1405479 0.1405479 0.5146614), wk = 0.0025707 k( 186) = ( 0.1493322 0.1493322 0.5155777), wk = 0.0025707 k( 187) = ( 0.1581164 0.1581164 0.5164940), wk = 0.0025707 k( 188) = ( 0.1669007 0.1669007 0.5174104), wk = 0.0025707 k( 189) = ( 0.1756849 0.1756849 0.5183267), wk = 0.0025707 k( 190) = ( 0.1844692 0.1844692 0.5192431), wk = 0.0025707 k( 191) = ( 0.1932534 0.1932534 0.5201594), wk = 0.0025707 k( 192) = ( 0.2020377 0.2020377 0.5210757), wk = 0.0025707 k( 193) = ( 0.2108219 0.2108219 0.5219921), wk = 0.0025707 k( 194) = ( 0.2196061 0.2196061 0.5229084), wk = 0.0025707 k( 195) = ( 0.2283904 0.2283904 0.5238247), wk = 0.0025707 k( 196) = ( 0.2371746 0.2371746 0.5247411), wk = 0.0025707 k( 197) = ( 0.2459589 0.2459589 0.5256574), wk = 0.0025707 k( 198) = ( 0.2547431 0.2547431 0.5265737), wk = 0.0025707 k( 199) = ( 0.2635274 0.2635274 0.5274901), wk = 0.0025707 k( 200) = ( 0.2723116 0.2723116 0.5284064), wk = 0.0025707 k( 201) = ( 0.2810959 0.2810959 0.5293227), wk = 0.0025707 k( 202) = ( 0.2898801 0.2898801 0.5302391), wk = 0.0025707 k( 203) = ( 0.2986644 0.2986644 0.5311554), wk = 0.0025707 k( 204) = ( 0.3074486 0.3074486 0.5320717), wk = 0.0025707 k( 205) = ( 0.3162329 0.3162329 0.5329881), wk = 0.0025707 k( 206) = ( 0.3250171 0.3250171 0.5339044), wk = 0.0025707 k( 207) = ( 0.3338013 0.3338014 0.5348208), wk = 0.0025707 k( 208) = ( 0.3425856 0.3425856 0.5357371), wk = 0.0025707 k( 209) = ( 0.3513698 0.3513698 0.5366534), wk = 0.0025707 k( 210) = ( 0.3601541 0.3601541 0.5375698), wk = 0.0025707 k( 211) = ( 0.3689383 0.3689383 0.5384861), wk = 0.0025707 k( 212) = ( 0.3777226 0.3777226 0.5394024), wk = 0.0025707 k( 213) = ( 0.3865068 0.3865068 0.5403188), wk = 0.0025707 k( 214) = ( 0.3952911 0.3952911 0.5412351), wk = 0.0025707 k( 215) = ( 0.4040753 0.4040753 0.5421514), wk = 0.0025707 k( 216) = ( 0.4128596 0.4128596 0.5430678), wk = 0.0025707 k( 217) = ( 0.4216438 0.4216438 0.5439841), wk = 0.0025707 k( 218) = ( 0.4304281 0.4304281 0.5449005), wk = 0.0025707 k( 219) = ( 0.4392123 0.4392123 0.5458168), wk = 0.0025707 k( 220) = ( 0.4479965 0.4479966 0.5467331), wk = 0.0025707 k( 221) = ( 0.4567808 0.4567808 0.5476495), wk = 0.0025707 k( 222) = ( 0.4655650 0.4655650 0.5485658), wk = 0.0025707 k( 223) = ( 0.4743493 0.4743493 0.5494821), wk = 0.0025707 k( 224) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025707 k( 225) = ( 0.5067217 0.4932783 0.0000000), wk = 0.0025707 k( 226) = ( 0.5134433 0.4865567 0.0000000), wk = 0.0025707 k( 227) = ( 0.5201649 0.4798350 0.0000000), wk = 0.0025707 k( 228) = ( 0.5268866 0.4731134 0.0000000), wk = 0.0025707 k( 229) = ( 0.4731134 -0.4731134 -0.0000000), wk = 0.0025707 k( 230) = ( 0.4649563 -0.4649563 -0.0000000), wk = 0.0025707 k( 231) = ( 0.4567991 -0.4567991 0.0000000), wk = 0.0025707 k( 232) = ( 0.4486420 -0.4486420 -0.0000000), wk = 0.0025707 k( 233) = ( 0.4404849 -0.4404849 -0.0000000), wk = 0.0025707 k( 234) = ( 0.4323278 -0.4323278 -0.0000000), wk = 0.0025707 k( 235) = ( 0.4241706 -0.4241706 0.0000000), wk = 0.0025707 k( 236) = ( 0.4160135 -0.4160135 0.0000000), wk = 0.0025707 k( 237) = ( 0.4078564 -0.4078564 -0.0000000), wk = 0.0025707 k( 238) = ( 0.3996993 -0.3996992 0.0000000), wk = 0.0025707 k( 239) = ( 0.3915421 -0.3915421 -0.0000000), wk = 0.0025707 k( 240) = ( 0.3833850 -0.3833850 0.0000000), wk = 0.0025707 k( 241) = ( 0.3752279 -0.3752279 -0.0000000), wk = 0.0025707 k( 242) = ( 0.3670707 -0.3670707 -0.0000000), wk = 0.0025707 k( 243) = ( 0.3589136 -0.3589136 -0.0000000), wk = 0.0025707 k( 244) = ( 0.3507565 -0.3507565 0.0000000), wk = 0.0025707 k( 245) = ( 0.3425994 -0.3425994 -0.0000000), wk = 0.0025707 k( 246) = ( 0.3344422 -0.3344422 0.0000000), wk = 0.0025707 k( 247) = ( 0.3262851 -0.3262851 0.0000000), wk = 0.0025707 k( 248) = ( 0.3181280 -0.3181280 0.0000000), wk = 0.0025707 k( 249) = ( 0.3099709 -0.3099709 -0.0000000), wk = 0.0025707 k( 250) = ( 0.3018137 -0.3018137 -0.0000000), wk = 0.0025707 k( 251) = ( 0.2936566 -0.2936566 -0.0000000), wk = 0.0025707 k( 252) = ( 0.2854995 -0.2854995 -0.0000000), wk = 0.0025707 k( 253) = ( 0.2773423 -0.2773423 -0.0000000), wk = 0.0025707 k( 254) = ( 0.2691852 -0.2691852 0.0000000), wk = 0.0025707 k( 255) = ( 0.2610281 -0.2610281 0.0000000), wk = 0.0025707 k( 256) = ( 0.2528709 -0.2528710 -0.0000000), wk = 0.0025707 k( 257) = ( 0.2447138 -0.2447138 -0.0000000), wk = 0.0025707 k( 258) = ( 0.2365567 -0.2365567 -0.0000000), wk = 0.0025707 k( 259) = ( 0.2283996 -0.2283996 0.0000000), wk = 0.0025707 k( 260) = ( 0.2202424 -0.2202424 0.0000000), wk = 0.0025707 k( 261) = ( 0.2120853 -0.2120853 -0.0000000), wk = 0.0025707 k( 262) = ( 0.2039282 -0.2039282 -0.0000000), wk = 0.0025707 k( 263) = ( 0.1957711 -0.1957711 -0.0000000), wk = 0.0025707 k( 264) = ( 0.1876139 -0.1876139 -0.0000000), wk = 0.0025707 k( 265) = ( 0.1794568 -0.1794568 -0.0000000), wk = 0.0025707 k( 266) = ( 0.1712997 -0.1712997 -0.0000000), wk = 0.0025707 k( 267) = ( 0.1631425 -0.1631425 0.0000000), wk = 0.0025707 k( 268) = ( 0.1549854 -0.1549854 -0.0000000), wk = 0.0025707 k( 269) = ( 0.1468283 -0.1468283 -0.0000000), wk = 0.0025707 k( 270) = ( 0.1386712 -0.1386712 -0.0000000), wk = 0.0025707 k( 271) = ( 0.1305140 -0.1305140 0.0000000), wk = 0.0025707 k( 272) = ( 0.1223569 -0.1223569 -0.0000000), wk = 0.0025707 k( 273) = ( 0.1141998 -0.1141998 -0.0000000), wk = 0.0025707 k( 274) = ( 0.1060427 -0.1060427 -0.0000000), wk = 0.0025707 k( 275) = ( 0.0978855 -0.0978855 -0.0000000), wk = 0.0025707 k( 276) = ( 0.0897284 -0.0897284 -0.0000000), wk = 0.0025707 k( 277) = ( 0.0815713 -0.0815713 0.0000000), wk = 0.0025707 k( 278) = ( 0.0734141 -0.0734141 -0.0000000), wk = 0.0025707 k( 279) = ( 0.0652570 -0.0652570 0.0000000), wk = 0.0025707 k( 280) = ( 0.0570999 -0.0570999 -0.0000000), wk = 0.0025707 k( 281) = ( 0.0489428 -0.0489428 -0.0000000), wk = 0.0025707 k( 282) = ( 0.0407856 -0.0407856 0.0000000), wk = 0.0025707 k( 283) = ( 0.0326285 -0.0326285 0.0000000), wk = 0.0025707 k( 284) = ( 0.0244714 -0.0244714 -0.0000000), wk = 0.0025707 k( 285) = ( 0.0163143 -0.0163143 -0.0000000), wk = 0.0025707 k( 286) = ( 0.0081571 -0.0081571 -0.0000000), wk = 0.0025707 k( 287) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025707 k( 288) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025707 k( 289) = ( 0.0119048 0.0000000 -0.0000000), wk = 0.0025707 k( 290) = ( 0.0238095 0.0000000 -0.0000000), wk = 0.0025707 k( 291) = ( 0.0357143 0.0000000 -0.0000000), wk = 0.0025707 k( 292) = ( 0.0476191 0.0000000 0.0000000), wk = 0.0025707 k( 293) = ( 0.0595238 0.0000000 0.0000000), wk = 0.0025707 k( 294) = ( 0.0714286 0.0000000 0.0000000), wk = 0.0025707 k( 295) = ( 0.0833333 0.0000000 -0.0000000), wk = 0.0025707 k( 296) = ( 0.0952381 0.0000000 0.0000000), wk = 0.0025707 k( 297) = ( 0.1071429 0.0000000 0.0000000), wk = 0.0025707 k( 298) = ( 0.1190476 0.0000000 0.0000000), wk = 0.0025707 k( 299) = ( 0.1309524 0.0000000 -0.0000000), wk = 0.0025707 k( 300) = ( 0.1428571 0.0000000 0.0000000), wk = 0.0025707 k( 301) = ( 0.1547619 0.0000000 -0.0000000), wk = 0.0025707 k( 302) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0025707 k( 303) = ( 0.1785714 0.0000000 0.0000000), wk = 0.0025707 k( 304) = ( 0.1904762 0.0000000 -0.0000000), wk = 0.0025707 k( 305) = ( 0.2023810 0.0000000 0.0000000), wk = 0.0025707 k( 306) = ( 0.2142857 0.0000000 0.0000000), wk = 0.0025707 k( 307) = ( 0.2261905 0.0000000 -0.0000000), wk = 0.0025707 k( 308) = ( 0.2380952 0.0000000 0.0000000), wk = 0.0025707 k( 309) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0025707 k( 310) = ( 0.2619048 0.0000000 -0.0000000), wk = 0.0025707 k( 311) = ( 0.2738095 0.0000000 -0.0000000), wk = 0.0025707 k( 312) = ( 0.2857143 0.0000000 -0.0000000), wk = 0.0025707 k( 313) = ( 0.2976190 0.0000000 -0.0000000), wk = 0.0025707 k( 314) = ( 0.3095238 0.0000000 0.0000000), wk = 0.0025707 k( 315) = ( 0.3214286 0.0000000 0.0000000), wk = 0.0025707 k( 316) = ( 0.3333333 0.0000000 -0.0000000), wk = 0.0025707 k( 317) = ( 0.3452381 0.0000000 -0.0000000), wk = 0.0025707 k( 318) = ( 0.3571429 0.0000000 0.0000000), wk = 0.0025707 k( 319) = ( 0.3690476 0.0000000 0.0000000), wk = 0.0025707 k( 320) = ( 0.3809524 0.0000000 -0.0000000), wk = 0.0025707 k( 321) = ( 0.3928571 0.0000000 -0.0000000), wk = 0.0025707 k( 322) = ( 0.4047619 0.0000000 0.0000000), wk = 0.0025707 k( 323) = ( 0.4166667 0.0000000 0.0000000), wk = 0.0025707 k( 324) = ( 0.4285714 0.0000000 -0.0000000), wk = 0.0025707 k( 325) = ( 0.4404762 0.0000000 0.0000000), wk = 0.0025707 k( 326) = ( 0.4523810 0.0000000 0.0000000), wk = 0.0025707 k( 327) = ( 0.4642857 0.0000000 0.0000000), wk = 0.0025707 k( 328) = ( 0.4761905 0.0000000 0.0000000), wk = 0.0025707 k( 329) = ( 0.4880952 0.0000000 -0.0000000), wk = 0.0025707 k( 330) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0025707 k( 331) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025707 k( 332) = ( 0.4913793 0.0000000 0.4913793), wk = 0.0025707 k( 333) = ( 0.4827586 0.0000000 0.4827586), wk = 0.0025707 k( 334) = ( 0.4741379 0.0000000 0.4741379), wk = 0.0025707 k( 335) = ( 0.4655172 0.0000000 0.4655172), wk = 0.0025707 k( 336) = ( 0.4568966 0.0000000 0.4568966), wk = 0.0025707 k( 337) = ( 0.4482759 0.0000000 0.4482759), wk = 0.0025707 k( 338) = ( 0.4396552 0.0000000 0.4396552), wk = 0.0025707 k( 339) = ( 0.4310345 0.0000000 0.4310345), wk = 0.0025707 k( 340) = ( 0.4224138 0.0000000 0.4224138), wk = 0.0025707 k( 341) = ( 0.4137931 0.0000000 0.4137931), wk = 0.0025707 k( 342) = ( 0.4051724 0.0000000 0.4051724), wk = 0.0025707 k( 343) = ( 0.3965517 0.0000000 0.3965517), wk = 0.0025707 k( 344) = ( 0.3879310 0.0000000 0.3879310), wk = 0.0025707 k( 345) = ( 0.3793103 0.0000000 0.3793103), wk = 0.0025707 k( 346) = ( 0.3706897 0.0000000 0.3706897), wk = 0.0025707 k( 347) = ( 0.3620690 0.0000000 0.3620690), wk = 0.0025707 k( 348) = ( 0.3534483 0.0000000 0.3534483), wk = 0.0025707 k( 349) = ( 0.3448276 0.0000000 0.3448276), wk = 0.0025707 k( 350) = ( 0.3362069 0.0000000 0.3362069), wk = 0.0025707 k( 351) = ( 0.3275862 0.0000000 0.3275862), wk = 0.0025707 k( 352) = ( 0.3189655 0.0000000 0.3189655), wk = 0.0025707 k( 353) = ( 0.3103448 0.0000000 0.3103448), wk = 0.0025707 k( 354) = ( 0.3017241 0.0000000 0.3017241), wk = 0.0025707 k( 355) = ( 0.2931034 0.0000000 0.2931034), wk = 0.0025707 k( 356) = ( 0.2844828 0.0000000 0.2844828), wk = 0.0025707 k( 357) = ( 0.2758621 0.0000000 0.2758621), wk = 0.0025707 k( 358) = ( 0.2672414 0.0000000 0.2672414), wk = 0.0025707 k( 359) = ( 0.2586207 0.0000000 0.2586207), wk = 0.0025707 k( 360) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0025707 k( 361) = ( 0.2413793 0.0000000 0.2413793), wk = 0.0025707 k( 362) = ( 0.2327586 0.0000000 0.2327586), wk = 0.0025707 k( 363) = ( 0.2241379 0.0000000 0.2241379), wk = 0.0025707 k( 364) = ( 0.2155172 0.0000000 0.2155172), wk = 0.0025707 k( 365) = ( 0.2068966 0.0000000 0.2068966), wk = 0.0025707 k( 366) = ( 0.1982759 0.0000000 0.1982759), wk = 0.0025707 k( 367) = ( 0.1896552 0.0000000 0.1896552), wk = 0.0025707 k( 368) = ( 0.1810345 0.0000000 0.1810345), wk = 0.0025707 k( 369) = ( 0.1724138 0.0000000 0.1724138), wk = 0.0025707 k( 370) = ( 0.1637931 0.0000000 0.1637931), wk = 0.0025707 k( 371) = ( 0.1551724 0.0000000 0.1551724), wk = 0.0025707 k( 372) = ( 0.1465517 -0.0000000 0.1465517), wk = 0.0025707 k( 373) = ( 0.1379310 0.0000000 0.1379310), wk = 0.0025707 k( 374) = ( 0.1293103 0.0000000 0.1293103), wk = 0.0025707 k( 375) = ( 0.1206897 0.0000000 0.1206897), wk = 0.0025707 k( 376) = ( 0.1120690 0.0000000 0.1120690), wk = 0.0025707 k( 377) = ( 0.1034483 0.0000000 0.1034483), wk = 0.0025707 k( 378) = ( 0.0948276 0.0000000 0.0948276), wk = 0.0025707 k( 379) = ( 0.0862069 0.0000000 0.0862069), wk = 0.0025707 k( 380) = ( 0.0775862 0.0000000 0.0775862), wk = 0.0025707 k( 381) = ( 0.0689655 0.0000000 0.0689655), wk = 0.0025707 k( 382) = ( 0.0603448 0.0000000 0.0603448), wk = 0.0025707 k( 383) = ( 0.0517241 0.0000000 0.0517241), wk = 0.0025707 k( 384) = ( 0.0431035 0.0000000 0.0431035), wk = 0.0025707 k( 385) = ( 0.0344828 0.0000000 0.0344828), wk = 0.0025707 k( 386) = ( 0.0258621 0.0000000 0.0258621), wk = 0.0025707 k( 387) = ( 0.0172414 0.0000000 0.0172414), wk = 0.0025707 k( 388) = ( 0.0086207 0.0000000 0.0086207), wk = 0.0025707 k( 389) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025707 Dense grid: 36173 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 14267 G-vectors FFT dimensions: ( 32, 32, 30) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.03 Mb ( 76, 26) NL pseudopotentials 0.04 Mb ( 38, 62) Each V/rho on FFT grid 0.03 Mb ( 2025) Each G-vector array 0.01 Mb ( 750) G-vector shells 0.01 Mb ( 711) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.12 Mb ( 76, 104) Each subspace H/S matrix 0.17 Mb ( 104, 104) Each matrix 0.05 Mb ( 62, 2, 26) Check: negative/imaginary core charge= -0.000007 0.000000 The potential is recalculated from file : ./KCN.save/charge-density.dat Starting wfc are 32 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 41.3 secs Computing kpt #: 2 total cpu time spent up to now is 41.8 secs Computing kpt #: 3 total cpu time spent up to now is 42.3 secs Computing kpt #: 4 total cpu time spent up to now is 42.8 secs Computing kpt #: 5 total cpu time spent up to now is 43.3 secs Computing kpt #: 6 total cpu time spent up to now is 43.8 secs Computing kpt #: 7 total cpu time spent up to now is 44.2 secs Computing kpt #: 8 total cpu time spent up to now is 44.7 secs Computing kpt #: 9 total cpu time spent up to now is 45.2 secs Computing kpt #: 10 total cpu time spent up to now is 45.7 secs Computing kpt #: 11 total cpu time spent up to now is 46.2 secs Computing kpt #: 12 total cpu time spent up to now is 46.6 secs Computing kpt #: 13 total cpu time spent up to now is 47.1 secs Computing kpt #: 14 total cpu time spent up to now is 47.6 secs Computing kpt #: 15 total cpu time spent up to now is 48.1 secs Computing kpt #: 16 total cpu time spent up to now is 48.6 secs Computing kpt #: 17 total cpu time spent up to now is 49.1 secs Computing kpt #: 18 total cpu time spent up to now is 49.5 secs Computing kpt #: 19 total cpu time spent up to now is 50.0 secs Computing kpt #: 20 total cpu time spent up to now is 50.5 secs Computing kpt #: 21 total cpu time spent up to now is 50.9 secs Computing kpt #: 22 total cpu time spent up to now is 51.5 secs Computing kpt #: 23 total cpu time spent up to now is 52.0 secs Computing kpt #: 24 total cpu time spent up to now is 52.5 secs Computing kpt #: 25 total cpu time spent up to now is 53.0 secs Computing kpt #: 26 total cpu time spent up to now is 53.5 secs Computing kpt #: 27 total cpu time spent up to now is 54.0 secs Computing kpt #: 28 total cpu time spent up to now is 54.5 secs Computing kpt #: 29 total cpu time spent up to now is 55.0 secs Computing kpt #: 30 total cpu time spent up to now is 55.7 secs Computing kpt #: 31 total cpu time spent up to now is 56.3 secs Computing kpt #: 32 total cpu time spent up to now is 56.9 secs Computing kpt #: 33 total cpu time spent up to now is 57.5 secs Computing kpt #: 34 total cpu time spent up to now is 58.1 secs Computing kpt #: 35 total cpu time spent up to now is 58.7 secs Computing kpt #: 36 total cpu time spent up to now is 59.3 secs Computing kpt #: 37 total cpu time spent up to now is 60.0 secs Computing kpt #: 38 total cpu time spent up to now is 60.8 secs Computing kpt #: 39 total cpu time spent up to now is 61.4 secs Computing kpt #: 40 total cpu time spent up to now is 62.0 secs Computing kpt #: 41 total cpu time spent up to now is 62.5 secs Computing kpt #: 42 total cpu time spent up to now is 62.9 secs Computing kpt #: 43 total cpu time spent up to now is 63.3 secs Computing kpt #: 44 total cpu time spent up to now is 63.7 secs Computing kpt #: 45 total cpu time spent up to now is 64.1 secs Computing kpt #: 46 total cpu time spent up to now is 64.5 secs Computing kpt #: 47 total cpu time spent up to now is 64.9 secs Computing kpt #: 48 total cpu time spent up to now is 65.3 secs Computing kpt #: 49 total cpu time spent up to now is 65.6 secs Computing kpt #: 50 total cpu time spent up to now is 66.1 secs Computing kpt #: 51 total cpu time spent up to now is 66.4 secs Computing kpt #: 52 total cpu time spent up to now is 66.8 secs Computing kpt #: 53 total cpu time spent up to now is 67.2 secs Computing kpt #: 54 total cpu time spent up to now is 67.6 secs Computing kpt #: 55 total cpu time spent up to now is 68.0 secs Computing kpt #: 56 total cpu time spent up to now is 68.3 secs Computing kpt #: 57 total cpu time spent up to now is 68.6 secs Computing kpt #: 58 total cpu time spent up to now is 69.0 secs Computing kpt #: 59 total cpu time spent up to now is 69.3 secs Computing kpt #: 60 total cpu time spent up to now is 69.6 secs Computing kpt #: 61 total cpu time spent up to now is 70.3 secs Computing kpt #: 62 total cpu time spent up to now is 71.1 secs Computing kpt #: 63 total cpu time spent up to now is 71.9 secs Computing kpt #: 64 total cpu time spent up to now is 72.8 secs Computing kpt #: 65 total cpu time spent up to now is 73.6 secs Computing kpt #: 66 total cpu time spent up to now is 74.4 secs Computing kpt #: 67 total cpu time spent up to now is 74.7 secs Computing kpt #: 68 total cpu time spent up to now is 75.0 secs Computing kpt #: 69 total cpu time spent up to now is 75.3 secs Computing kpt #: 70 total cpu time spent up to now is 75.7 secs Computing kpt #: 71 total cpu time spent up to now is 76.0 secs Computing kpt #: 72 total cpu time spent up to now is 76.3 secs Computing kpt #: 73 total cpu time spent up to now is 76.6 secs Computing kpt #: 74 total cpu time spent up to now is 77.0 secs Computing kpt #: 75 total cpu time spent up to now is 77.3 secs Computing kpt #: 76 total cpu time spent up to now is 77.6 secs Computing kpt #: 77 total cpu time spent up to now is 78.0 secs Computing kpt #: 78 total cpu time spent up to now is 78.4 secs Computing kpt #: 79 total cpu time spent up to now is 78.9 secs Computing kpt #: 80 total cpu time spent up to now is 79.3 secs Computing kpt #: 81 total cpu time spent up to now is 79.6 secs Computing kpt #: 82 total cpu time spent up to now is 80.2 secs Computing kpt #: 83 total cpu time spent up to now is 80.6 secs Computing kpt #: 84 total cpu time spent up to now is 81.2 secs Computing kpt #: 85 total cpu time spent up to now is 81.7 secs Computing kpt #: 86 total cpu time spent up to now is 82.1 secs Computing kpt #: 87 total cpu time spent up to now is 82.6 secs Computing kpt #: 88 total cpu time spent up to now is 83.0 secs Computing kpt #: 89 total cpu time spent up to now is 83.5 secs Computing kpt #: 90 total cpu time spent up to now is 83.8 secs Computing kpt #: 91 total cpu time spent up to now is 84.3 secs Computing kpt #: 92 total cpu time spent up to now is 84.7 secs Computing kpt #: 93 total cpu time spent up to now is 85.1 secs Computing kpt #: 94 total cpu time spent up to now is 85.5 secs Computing kpt #: 95 total cpu time spent up to now is 85.9 secs Computing kpt #: 96 total cpu time spent up to now is 86.3 secs Computing kpt #: 97 total cpu time spent up to now is 86.7 secs Computing kpt #: 98 total cpu time spent up to now is 87.1 secs Computing kpt #: 99 total cpu time spent up to now is 87.5 secs Computing kpt #: 100 total cpu time spent up to now is 87.9 secs Computing kpt #: 101 total cpu time spent up to now is 88.4 secs Computing kpt #: 102 total cpu time spent up to now is 88.8 secs Computing kpt #: 103 total cpu time spent up to now is 89.2 secs Computing kpt #: 104 total cpu time spent up to now is 89.6 secs Computing kpt #: 105 total cpu time spent up to now is 90.1 secs Computing kpt #: 106 total cpu time spent up to now is 90.6 secs Computing kpt #: 107 total cpu time spent up to now is 91.2 secs Computing kpt #: 108 total cpu time spent up to now is 91.7 secs Computing kpt #: 109 total cpu time spent up to now is 92.1 secs Computing kpt #: 110 total cpu time spent up to now is 92.7 secs Computing kpt #: 111 total cpu time spent up to now is 93.1 secs Computing kpt #: 112 total cpu time spent up to now is 94.0 secs Computing kpt #: 113 total cpu time spent up to now is 95.3 secs Computing kpt #: 114 total cpu time spent up to now is 96.5 secs Computing kpt #: 115 total cpu time spent up to now is 97.3 secs Computing kpt #: 116 total cpu time spent up to now is 97.8 secs Computing kpt #: 117 total cpu time spent up to now is 98.4 secs Computing kpt #: 118 total cpu time spent up to now is 99.0 secs Computing kpt #: 119 total cpu time spent up to now is 99.5 secs Computing kpt #: 120 total cpu time spent up to now is 99.9 secs Computing kpt #: 121 total cpu time spent up to now is 100.9 secs Computing kpt #: 122 total cpu time spent up to now is 101.3 secs Computing kpt #: 123 total cpu time spent up to now is 102.9 secs Computing kpt #: 124 total cpu time spent up to now is 103.3 secs Computing kpt #: 125 total cpu time spent up to now is 103.7 secs Computing kpt #: 126 total cpu time spent up to now is 104.1 secs Computing kpt #: 127 total cpu time spent up to now is 105.3 secs Computing kpt #: 128 total cpu time spent up to now is 105.7 secs Computing kpt #: 129 total cpu time spent up to now is 106.1 secs Computing kpt #: 130 total cpu time spent up to now is 107.0 secs Computing kpt #: 131 total cpu time spent up to now is 107.4 secs Computing kpt #: 132 total cpu time spent up to now is 107.9 secs Computing kpt #: 133 total cpu time spent up to now is 109.0 secs Computing kpt #: 134 total cpu time spent up to now is 109.6 secs Computing kpt #: 135 total cpu time spent up to now is 110.7 secs Computing kpt #: 136 total cpu time spent up to now is 111.6 secs Computing kpt #: 137 total cpu time spent up to now is 112.7 secs Computing kpt #: 138 total cpu time spent up to now is 113.8 secs Computing kpt #: 139 total cpu time spent up to now is 114.2 secs Computing kpt #: 140 total cpu time spent up to now is 114.7 secs Computing kpt #: 141 total cpu time spent up to now is 115.3 secs Computing kpt #: 142 total cpu time spent up to now is 115.9 secs Computing kpt #: 143 total cpu time spent up to now is 116.3 secs Computing kpt #: 144 total cpu time spent up to now is 116.7 secs Computing kpt #: 145 total cpu time spent up to now is 117.1 secs Computing kpt #: 146 total cpu time spent up to now is 117.5 secs Computing kpt #: 147 total cpu time spent up to now is 117.8 secs Computing kpt #: 148 total cpu time spent up to now is 118.2 secs Computing kpt #: 149 total cpu time spent up to now is 118.6 secs Computing kpt #: 150 total cpu time spent up to now is 119.0 secs Computing kpt #: 151 total cpu time spent up to now is 119.5 secs Computing kpt #: 152 total cpu time spent up to now is 119.8 secs Computing kpt #: 153 total cpu time spent up to now is 120.3 secs Computing kpt #: 154 total cpu time spent up to now is 120.7 secs Computing kpt #: 155 total cpu time spent up to now is 121.0 secs Computing kpt #: 156 total cpu time spent up to now is 121.3 secs Computing kpt #: 157 total cpu time spent up to now is 121.7 secs Computing kpt #: 158 total cpu time spent up to now is 122.1 secs Computing kpt #: 159 total cpu time spent up to now is 122.4 secs Computing kpt #: 160 total cpu time spent up to now is 122.8 secs Computing kpt #: 161 total cpu time spent up to now is 123.2 secs Computing kpt #: 162 total cpu time spent up to now is 123.5 secs Computing kpt #: 163 total cpu time spent up to now is 123.9 secs Computing kpt #: 164 total cpu time spent up to now is 124.3 secs Computing kpt #: 165 total cpu time spent up to now is 124.6 secs Computing kpt #: 166 total cpu time spent up to now is 125.0 secs Computing kpt #: 167 total cpu time spent up to now is 125.3 secs Computing kpt #: 168 total cpu time spent up to now is 125.6 secs Computing kpt #: 169 total cpu time spent up to now is 126.0 secs Computing kpt #: 170 total cpu time spent up to now is 126.7 secs Computing kpt #: 171 total cpu time spent up to now is 127.6 secs Computing kpt #: 172 total cpu time spent up to now is 128.3 secs Computing kpt #: 173 total cpu time spent up to now is 129.1 secs Computing kpt #: 174 total cpu time spent up to now is 129.9 secs Computing kpt #: 175 total cpu time spent up to now is 130.5 secs Computing kpt #: 176 total cpu time spent up to now is 130.8 secs Computing kpt #: 177 total cpu time spent up to now is 131.1 secs Computing kpt #: 178 total cpu time spent up to now is 131.5 secs Computing kpt #: 179 total cpu time spent up to now is 131.8 secs Computing kpt #: 180 total cpu time spent up to now is 132.2 secs Computing kpt #: 181 total cpu time spent up to now is 132.5 secs Computing kpt #: 182 total cpu time spent up to now is 132.8 secs Computing kpt #: 183 total cpu time spent up to now is 133.2 secs Computing kpt #: 184 total cpu time spent up to now is 133.5 secs Computing kpt #: 185 total cpu time spent up to now is 133.9 secs Computing kpt #: 186 total cpu time spent up to now is 134.3 secs Computing kpt #: 187 total cpu time spent up to now is 134.6 secs Computing kpt #: 188 total cpu time spent up to now is 135.0 secs Computing kpt #: 189 total cpu time spent up to now is 135.3 secs Computing kpt #: 190 total cpu time spent up to now is 135.6 secs Computing kpt #: 191 total cpu time spent up to now is 136.0 secs Computing kpt #: 192 total cpu time spent up to now is 136.3 secs Computing kpt #: 193 total cpu time spent up to now is 136.7 secs Computing kpt #: 194 total cpu time spent up to now is 137.0 secs Computing kpt #: 195 total cpu time spent up to now is 137.4 secs Computing kpt #: 196 total cpu time spent up to now is 137.8 secs Computing kpt #: 197 total cpu time spent up to now is 138.1 secs Computing kpt #: 198 total cpu time spent up to now is 138.6 secs Computing kpt #: 199 total cpu time spent up to now is 139.1 secs Computing kpt #: 200 total cpu time spent up to now is 139.6 secs Computing kpt #: 201 total cpu time spent up to now is 140.1 secs Computing kpt #: 202 total cpu time spent up to now is 140.5 secs Computing kpt #: 203 total cpu time spent up to now is 140.9 secs Computing kpt #: 204 total cpu time spent up to now is 141.3 secs Computing kpt #: 205 total cpu time spent up to now is 141.7 secs Computing kpt #: 206 total cpu time spent up to now is 142.1 secs Computing kpt #: 207 total cpu time spent up to now is 142.5 secs Computing kpt #: 208 total cpu time spent up to now is 142.8 secs Computing kpt #: 209 total cpu time spent up to now is 143.2 secs Computing kpt #: 210 total cpu time spent up to now is 143.6 secs Computing kpt #: 211 total cpu time spent up to now is 144.1 secs Computing kpt #: 212 total cpu time spent up to now is 144.6 secs Computing kpt #: 213 total cpu time spent up to now is 145.0 secs Computing kpt #: 214 total cpu time spent up to now is 145.7 secs Computing kpt #: 215 total cpu time spent up to now is 146.7 secs Computing kpt #: 216 total cpu time spent up to now is 147.7 secs Computing kpt #: 217 total cpu time spent up to now is 148.7 secs Computing kpt #: 218 total cpu time spent up to now is 149.5 secs Computing kpt #: 219 total cpu time spent up to now is 149.9 secs Computing kpt #: 220 total cpu time spent up to now is 150.4 secs Computing kpt #: 221 total cpu time spent up to now is 150.9 secs Computing kpt #: 222 total cpu time spent up to now is 151.4 secs Computing kpt #: 223 total cpu time spent up to now is 151.8 secs Computing kpt #: 224 total cpu time spent up to now is 152.2 secs Computing kpt #: 225 total cpu time spent up to now is 152.7 secs Computing kpt #: 226 total cpu time spent up to now is 153.1 secs Computing kpt #: 227 total cpu time spent up to now is 153.4 secs Computing kpt #: 228 total cpu time spent up to now is 153.7 secs Computing kpt #: 229 total cpu time spent up to now is 154.1 secs Computing kpt #: 230 total cpu time spent up to now is 154.4 secs Computing kpt #: 231 total cpu time spent up to now is 154.8 secs Computing kpt #: 232 total cpu time spent up to now is 155.1 secs Computing kpt #: 233 total cpu time spent up to now is 155.5 secs Computing kpt #: 234 total cpu time spent up to now is 155.9 secs Computing kpt #: 235 total cpu time spent up to now is 156.3 secs Computing kpt #: 236 total cpu time spent up to now is 156.8 secs Computing kpt #: 237 total cpu time spent up to now is 157.1 secs Computing kpt #: 238 total cpu time spent up to now is 157.5 secs Computing kpt #: 239 total cpu time spent up to now is 157.9 secs Computing kpt #: 240 total cpu time spent up to now is 158.2 secs Computing kpt #: 241 total cpu time spent up to now is 158.6 secs Computing kpt #: 242 total cpu time spent up to now is 159.0 secs Computing kpt #: 243 total cpu time spent up to now is 159.3 secs Computing kpt #: 244 total cpu time spent up to now is 159.7 secs Computing kpt #: 245 total cpu time spent up to now is 160.1 secs Computing kpt #: 246 total cpu time spent up to now is 160.5 secs Computing kpt #: 247 total cpu time spent up to now is 160.9 secs Computing kpt #: 248 total cpu time spent up to now is 161.2 secs Computing kpt #: 249 total cpu time spent up to now is 161.6 secs Computing kpt #: 250 total cpu time spent up to now is 162.1 secs Computing kpt #: 251 total cpu time spent up to now is 162.5 secs Computing kpt #: 252 total cpu time spent up to now is 162.9 secs Computing kpt #: 253 total cpu time spent up to now is 163.4 secs Computing kpt #: 254 total cpu time spent up to now is 163.9 secs Computing kpt #: 255 total cpu time spent up to now is 164.3 secs Computing kpt #: 256 total cpu time spent up to now is 164.7 secs Computing kpt #: 257 total cpu time spent up to now is 165.5 secs Computing kpt #: 258 total cpu time spent up to now is 166.3 secs Computing kpt #: 259 total cpu time spent up to now is 167.2 secs Computing kpt #: 260 total cpu time spent up to now is 168.1 secs Computing kpt #: 261 total cpu time spent up to now is 169.0 secs Computing kpt #: 262 total cpu time spent up to now is 169.9 secs Computing kpt #: 263 total cpu time spent up to now is 170.3 secs Computing kpt #: 264 total cpu time spent up to now is 170.7 secs Computing kpt #: 265 total cpu time spent up to now is 171.1 secs Computing kpt #: 266 total cpu time spent up to now is 171.5 secs Computing kpt #: 267 total cpu time spent up to now is 171.9 secs Computing kpt #: 268 total cpu time spent up to now is 172.3 secs Computing kpt #: 269 total cpu time spent up to now is 172.7 secs Computing kpt #: 270 total cpu time spent up to now is 173.1 secs Computing kpt #: 271 total cpu time spent up to now is 173.5 secs Computing kpt #: 272 total cpu time spent up to now is 173.9 secs Computing kpt #: 273 total cpu time spent up to now is 174.5 secs Computing kpt #: 274 total cpu time spent up to now is 175.0 secs Computing kpt #: 275 total cpu time spent up to now is 175.5 secs Computing kpt #: 276 total cpu time spent up to now is 176.1 secs Computing kpt #: 277 total cpu time spent up to now is 176.5 secs Computing kpt #: 278 total cpu time spent up to now is 177.0 secs Computing kpt #: 279 total cpu time spent up to now is 177.4 secs Computing kpt #: 280 total cpu time spent up to now is 177.9 secs Computing kpt #: 281 total cpu time spent up to now is 178.3 secs Computing kpt #: 282 total cpu time spent up to now is 178.8 secs Computing kpt #: 283 total cpu time spent up to now is 179.2 secs Computing kpt #: 284 total cpu time spent up to now is 179.6 secs Computing kpt #: 285 total cpu time spent up to now is 180.1 secs Computing kpt #: 286 total cpu time spent up to now is 180.6 secs Computing kpt #: 287 total cpu time spent up to now is 181.1 secs Computing kpt #: 288 total cpu time spent up to now is 181.6 secs Computing kpt #: 289 total cpu time spent up to now is 182.0 secs Computing kpt #: 290 total cpu time spent up to now is 182.6 secs Computing kpt #: 291 total cpu time spent up to now is 183.0 secs Computing kpt #: 292 total cpu time spent up to now is 183.5 secs Computing kpt #: 293 total cpu time spent up to now is 184.0 secs Computing kpt #: 294 total cpu time spent up to now is 184.4 secs Computing kpt #: 295 total cpu time spent up to now is 184.8 secs Computing kpt #: 296 total cpu time spent up to now is 185.3 secs Computing kpt #: 297 total cpu time spent up to now is 185.7 secs Computing kpt #: 298 total cpu time spent up to now is 186.1 secs Computing kpt #: 299 total cpu time spent up to now is 186.5 secs Computing kpt #: 300 total cpu time spent up to now is 187.0 secs Computing kpt #: 301 total cpu time spent up to now is 187.9 secs Computing kpt #: 302 total cpu time spent up to now is 188.9 secs Computing kpt #: 303 total cpu time spent up to now is 189.8 secs Computing kpt #: 304 total cpu time spent up to now is 190.4 secs Computing kpt #: 305 total cpu time spent up to now is 190.7 secs Computing kpt #: 306 total cpu time spent up to now is 191.0 secs Computing kpt #: 307 total cpu time spent up to now is 191.4 secs Computing kpt #: 308 total cpu time spent up to now is 191.7 secs Computing kpt #: 309 total cpu time spent up to now is 192.2 secs Computing kpt #: 310 total cpu time spent up to now is 192.6 secs Computing kpt #: 311 total cpu time spent up to now is 192.9 secs Computing kpt #: 312 total cpu time spent up to now is 193.3 secs Computing kpt #: 313 total cpu time spent up to now is 193.7 secs Computing kpt #: 314 total cpu time spent up to now is 194.1 secs Computing kpt #: 315 total cpu time spent up to now is 194.4 secs Computing kpt #: 316 total cpu time spent up to now is 194.8 secs Computing kpt #: 317 total cpu time spent up to now is 195.1 secs Computing kpt #: 318 total cpu time spent up to now is 195.4 secs Computing kpt #: 319 total cpu time spent up to now is 195.7 secs Computing kpt #: 320 total cpu time spent up to now is 196.0 secs Computing kpt #: 321 total cpu time spent up to now is 196.2 secs Computing kpt #: 322 total cpu time spent up to now is 196.5 secs Computing kpt #: 323 total cpu time spent up to now is 196.8 secs Computing kpt #: 324 total cpu time spent up to now is 197.1 secs Computing kpt #: 325 total cpu time spent up to now is 197.4 secs Computing kpt #: 326 total cpu time spent up to now is 197.8 secs Computing kpt #: 327 total cpu time spent up to now is 198.2 secs Computing kpt #: 328 total cpu time spent up to now is 198.6 secs Computing kpt #: 329 total cpu time spent up to now is 199.0 secs Computing kpt #: 330 total cpu time spent up to now is 199.3 secs Computing kpt #: 331 total cpu time spent up to now is 199.6 secs Computing kpt #: 332 total cpu time spent up to now is 200.0 secs Computing kpt #: 333 total cpu time spent up to now is 200.4 secs Computing kpt #: 334 total cpu time spent up to now is 200.7 secs Computing kpt #: 335 total cpu time spent up to now is 201.2 secs Computing kpt #: 336 total cpu time spent up to now is 201.5 secs Computing kpt #: 337 total cpu time spent up to now is 201.8 secs Computing kpt #: 338 total cpu time spent up to now is 202.4 secs Computing kpt #: 339 total cpu time spent up to now is 203.3 secs Computing kpt #: 340 total cpu time spent up to now is 204.1 secs Computing kpt #: 341 total cpu time spent up to now is 204.8 secs Computing kpt #: 342 total cpu time spent up to now is 205.2 secs Computing kpt #: 343 total cpu time spent up to now is 205.5 secs Computing kpt #: 344 total cpu time spent up to now is 205.9 secs Computing kpt #: 345 total cpu time spent up to now is 206.3 secs Computing kpt #: 346 total cpu time spent up to now is 206.6 secs Computing kpt #: 347 total cpu time spent up to now is 206.9 secs Computing kpt #: 348 total cpu time spent up to now is 207.3 secs Computing kpt #: 349 total cpu time spent up to now is 207.7 secs Computing kpt #: 350 total cpu time spent up to now is 208.0 secs Computing kpt #: 351 total cpu time spent up to now is 208.4 secs Computing kpt #: 352 total cpu time spent up to now is 208.8 secs Computing kpt #: 353 total cpu time spent up to now is 209.2 secs Computing kpt #: 354 total cpu time spent up to now is 209.8 secs Computing kpt #: 355 total cpu time spent up to now is 210.2 secs Computing kpt #: 356 total cpu time spent up to now is 210.7 secs Computing kpt #: 357 total cpu time spent up to now is 211.1 secs Computing kpt #: 358 total cpu time spent up to now is 211.5 secs Computing kpt #: 359 total cpu time spent up to now is 212.0 secs Computing kpt #: 360 total cpu time spent up to now is 212.4 secs Computing kpt #: 361 total cpu time spent up to now is 212.9 secs Computing kpt #: 362 total cpu time spent up to now is 213.3 secs Computing kpt #: 363 total cpu time spent up to now is 213.7 secs Computing kpt #: 364 total cpu time spent up to now is 214.1 secs Computing kpt #: 365 total cpu time spent up to now is 214.5 secs Computing kpt #: 366 total cpu time spent up to now is 214.9 secs Computing kpt #: 367 total cpu time spent up to now is 215.3 secs Computing kpt #: 368 total cpu time spent up to now is 215.6 secs Computing kpt #: 369 total cpu time spent up to now is 216.1 secs Computing kpt #: 370 total cpu time spent up to now is 216.7 secs Computing kpt #: 371 total cpu time spent up to now is 217.1 secs Computing kpt #: 372 total cpu time spent up to now is 217.9 secs Computing kpt #: 373 total cpu time spent up to now is 218.9 secs Computing kpt #: 374 total cpu time spent up to now is 219.9 secs Computing kpt #: 375 total cpu time spent up to now is 220.9 secs Computing kpt #: 376 total cpu time spent up to now is 221.4 secs Computing kpt #: 377 total cpu time spent up to now is 221.8 secs Computing kpt #: 378 total cpu time spent up to now is 222.2 secs Computing kpt #: 379 total cpu time spent up to now is 222.7 secs Computing kpt #: 380 total cpu time spent up to now is 223.2 secs Computing kpt #: 381 total cpu time spent up to now is 223.6 secs Computing kpt #: 382 total cpu time spent up to now is 224.0 secs Computing kpt #: 383 total cpu time spent up to now is 224.5 secs Computing kpt #: 384 total cpu time spent up to now is 224.9 secs Computing kpt #: 385 total cpu time spent up to now is 225.3 secs Computing kpt #: 386 total cpu time spent up to now is 225.8 secs Computing kpt #: 387 total cpu time spent up to now is 226.3 secs Computing kpt #: 388 total cpu time spent up to now is 226.7 secs Computing kpt #: 389 total cpu time spent up to now is 227.1 secs ethr = 5.56E-11, avg # of iterations = 32.1 total cpu time spent up to now is 227.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1795 PWs) bands (ev): -25.5132 -25.5132 -13.9301 -13.9301 -9.0914 -9.0914 -8.8429 -8.8429 -8.7967 -8.7967 -0.9050 -0.9050 0.4868 0.4868 0.4989 0.4989 0.5895 0.5895 7.1254 7.1254 7.2187 7.2187 10.4076 10.4076 11.6176 11.6176 k = 0.0088 0.0083-0.0009 ( 1797 PWs) bands (ev): -25.5132 -25.5132 -13.9300 -13.9300 -9.0915 -9.0915 -8.8430 -8.8430 -8.7968 -8.7967 -0.9066 -0.9066 0.4855 0.4858 0.4949 0.4950 0.5955 0.5959 7.1271 7.1272 7.2208 7.2208 10.4068 10.4068 11.6175 11.6175 k = 0.0175 0.0165-0.0019 ( 1797 PWs) bands (ev): -25.5131 -25.5131 -13.9299 -13.9299 -9.0918 -9.0917 -8.8432 -8.8432 -8.7971 -8.7969 -0.9115 -0.9115 0.4800 0.4811 0.4870 0.4875 0.6113 0.6119 7.1322 7.1324 7.2272 7.2272 10.4044 10.4044 11.6171 11.6172 k = 0.0263 0.0248-0.0028 ( 1803 PWs) bands (ev): -25.5130 -25.5130 -13.9297 -13.9297 -9.0922 -9.0921 -8.8437 -8.8436 -8.7976 -8.7973 -0.9194 -0.9194 0.4688 0.4698 0.4814 0.4819 0.6331 0.6338 7.1408 7.1410 7.2377 7.2377 10.4003 10.4004 11.6166 11.6167 k = 0.0351 0.0330-0.0037 ( 1811 PWs) bands (ev): -25.5127 -25.5127 -13.9294 -13.9294 -9.0928 -9.0926 -8.8443 -8.8442 -8.7982 -8.7978 -0.9303 -0.9303 0.4559 0.4569 0.4757 0.4760 0.6587 0.6595 7.1526 7.1530 7.2525 7.2525 10.3944 10.3945 11.6159 11.6161 k = 0.0439 0.0413-0.0047 ( 1813 PWs) bands (ev): -25.5124 -25.5124 -13.9291 -13.9290 -9.0936 -9.0933 -8.8450 -8.8450 -8.7989 -8.7984 -0.9440 -0.9440 0.4434 0.4443 0.4686 0.4689 0.6870 0.6878 7.1679 7.1683 7.2713 7.2713 10.3865 10.3866 11.6151 11.6153 k = 0.0526 0.0496-0.0056 ( 1813 PWs) bands (ev): -25.5121 -25.5121 -13.9286 -13.9286 -9.0945 -9.0941 -8.8460 -8.8459 -8.7997 -8.7992 -0.9601 -0.9601 0.4317 0.4325 0.4602 0.4604 0.7173 0.7181 7.1864 7.1868 7.2942 7.2942 10.3764 10.3766 11.6142 11.6144 k = 0.0614 0.0578-0.0065 ( 1815 PWs) bands (ev): -25.5116 -25.5116 -13.9281 -13.9280 -9.0956 -9.0952 -8.8471 -8.8470 -8.8007 -8.8000 -0.9785 -0.9785 0.4209 0.4216 0.4504 0.4506 0.7492 0.7500 7.2081 7.2086 7.3210 7.3210 10.3639 10.3641 11.6131 11.6134 k = 0.0702 0.0661-0.0075 ( 1820 PWs) bands (ev): -25.5112 -25.5112 -13.9274 -13.9274 -9.0969 -9.0964 -8.8485 -8.8483 -8.8018 -8.8010 -0.9988 -0.9988 0.4111 0.4118 0.4392 0.4395 0.7825 0.7833 7.2328 7.2334 7.3517 7.3517 10.3487 10.3489 11.6120 11.6123 k = 0.0789 0.0744-0.0084 ( 1810 PWs) bands (ev): -25.5106 -25.5106 -13.9267 -13.9266 -9.0984 -9.0978 -8.8500 -8.8497 -8.8030 -8.8020 -1.0208 -1.0208 0.4023 0.4029 0.4270 0.4272 0.8168 0.8176 7.2606 7.2613 7.3860 7.3860 10.3306 10.3309 11.6107 11.6112 k = 0.0877 0.0826-0.0093 ( 1802 PWs) bands (ev): -25.5099 -25.5099 -13.9258 -13.9258 -9.1000 -9.0993 -8.8517 -8.8514 -8.8042 -8.8030 -1.0441 -1.0441 0.3942 0.3948 0.4136 0.4139 0.8520 0.8527 7.2912 7.2920 7.4239 7.4239 10.3094 10.3097 11.6071 11.6086 k = 0.0965 0.0909-0.0102 ( 1796 PWs) bands (ev): -25.5092 -25.5092 -13.9249 -13.9248 -9.1019 -9.1011 -8.8537 -8.8533 -8.8056 -8.8042 -1.0685 -1.0684 0.3864 0.3871 0.3996 0.4001 0.8877 0.8884 7.3246 7.3253 7.4652 7.4653 10.2849 10.2853 11.5937 11.5952 k = 0.1053 0.0991-0.0112 ( 1800 PWs) bands (ev): -25.5085 -25.5085 -13.9238 -13.9238 -9.1040 -9.1031 -8.8560 -8.8555 -8.8070 -8.8053 -1.0937 -1.0936 0.3770 0.3777 0.3869 0.3875 0.9237 0.9244 7.3604 7.3612 7.5098 7.5098 10.2571 10.2574 11.5798 11.5813 k = 0.1140 0.1074-0.0121 ( 1802 PWs) bands (ev): -25.5077 -25.5077 -13.9227 -13.9226 -9.1063 -9.1053 -8.8585 -8.8580 -8.8084 -8.8065 -1.1194 -1.1194 0.3630 0.3634 0.3790 0.3793 0.9598 0.9605 7.3985 7.3994 7.5574 7.5574 10.2259 10.2263 11.5678 11.5694 k = 0.1228 0.1157-0.0130 ( 1802 PWs) bands (ev): -25.5069 -25.5069 -13.9214 -13.9214 -9.1088 -9.1077 -8.8614 -8.8607 -8.8098 -8.8077 -1.1454 -1.1454 0.3462 0.3464 0.3736 0.3738 0.9959 0.9965 7.4387 7.4397 7.6078 7.6079 10.1916 10.1920 11.5582 11.5598 k = 0.1316 0.1239-0.0140 ( 1801 PWs) bands (ev): -25.5060 -25.5060 -13.9200 -13.9200 -9.1116 -9.1104 -8.8645 -8.8636 -8.8112 -8.8089 -1.1715 -1.1715 0.3280 0.3282 0.3693 0.3695 1.0316 1.0322 7.4808 7.4818 7.6610 7.6610 10.1542 10.1547 11.5513 11.5529 k = 0.1404 0.1322-0.0149 ( 1802 PWs) bands (ev): -25.5051 -25.5051 -13.9186 -13.9185 -9.1145 -9.1133 -8.8679 -8.8669 -8.8126 -8.8100 -1.1975 -1.1974 0.3090 0.3091 0.3657 0.3659 1.0669 1.0675 7.5243 7.5254 7.7165 7.7166 10.1143 10.1148 11.5473 11.5489 k = 0.1491 0.1405-0.0158 ( 1802 PWs) bands (ev): -25.5041 -25.5041 -13.9170 -13.9169 -9.1178 -9.1164 -8.8716 -8.8706 -8.8139 -8.8111 -1.2231 -1.2231 0.2892 0.2893 0.3627 0.3630 1.1016 1.1021 7.5691 7.5702 7.7744 7.7744 10.0723 10.0729 11.5462 11.5478 k = 0.1579 0.1487-0.0168 ( 1798 PWs) bands (ev): -25.5030 -25.5030 -13.9152 -13.9152 -9.1212 -9.1197 -8.8757 -8.8745 -8.8152 -8.8121 -1.2483 -1.2482 0.2689 0.2690 0.3604 0.3607 1.1354 1.1359 7.6146 7.6158 7.8342 7.8342 10.0288 10.0294 11.5482 11.5498 k = 0.1667 0.1570-0.0177 ( 1800 PWs) bands (ev): -25.5020 -25.5020 -13.9134 -13.9133 -9.1249 -9.1233 -8.8800 -8.8788 -8.8163 -8.8130 -1.2729 -1.2728 0.2481 0.2482 0.3585 0.3589 1.1683 1.1688 7.6605 7.6617 7.8957 7.8958 9.9845 9.9851 11.5532 11.5547 k = 0.1754 0.1652-0.0186 ( 1798 PWs) bands (ev): -25.5009 -25.5009 -13.9114 -13.9113 -9.1288 -9.1271 -8.8847 -8.8834 -8.8174 -8.8138 -1.2967 -1.2965 0.2270 0.2270 0.3572 0.3576 1.2001 1.2006 7.7062 7.7074 7.9587 7.9588 9.9401 9.9407 11.5611 11.5626 k = 0.1842 0.1735-0.0196 ( 1796 PWs) bands (ev): -25.4998 -25.4998 -13.9093 -13.9093 -9.1330 -9.1311 -8.8898 -8.8883 -8.8183 -8.8146 -1.3196 -1.3194 0.2055 0.2055 0.3563 0.3568 1.2307 1.2311 7.7511 7.7523 8.0230 8.0231 9.8965 9.8971 11.5720 11.5734 k = 0.1930 0.1818-0.0205 ( 1795 PWs) bands (ev): -25.4987 -25.4987 -13.9071 -13.9071 -9.1374 -9.1354 -8.8951 -8.8936 -8.8192 -8.8152 -1.3415 -1.3414 0.1838 0.1838 0.3559 0.3564 1.2599 1.2603 7.7946 7.7958 8.0882 8.0883 9.8545 9.8551 11.5858 11.5871 k = 0.2018 0.1900-0.0214 ( 1794 PWs) bands (ev): -25.4975 -25.4975 -13.9048 -13.9047 -9.1420 -9.1399 -8.9007 -8.8992 -8.8199 -8.8158 -1.3624 -1.3622 0.1620 0.1620 0.3560 0.3565 1.2877 1.2880 7.8360 7.8371 8.1541 8.1542 9.8151 9.8158 11.6024 11.6036 k = 0.2105 0.1983-0.0224 ( 1785 PWs) bands (ev): -25.4963 -25.4963 -13.9024 -13.9023 -9.1467 -9.1446 -8.9067 -8.9051 -8.8205 -8.8162 -1.3822 -1.3820 0.1402 0.1402 0.3565 0.3570 1.3139 1.3143 7.8744 7.8755 8.2204 8.2205 9.7794 9.7800 11.6218 11.6230 k = 0.2193 0.2066-0.0233 ( 1785 PWs) bands (ev): -25.4951 -25.4951 -13.8998 -13.8997 -9.1517 -9.1495 -8.9129 -8.9113 -8.8209 -8.8166 -1.4007 -1.4005 0.1183 0.1183 0.3574 0.3580 1.3386 1.3389 7.9090 7.9101 8.2869 8.2869 9.7482 9.7489 11.6441 11.6451 k = 0.2281 0.2148-0.0242 ( 1787 PWs) bands (ev): -25.4939 -25.4939 -13.8972 -13.8971 -9.1569 -9.1546 -8.9194 -8.9178 -8.8213 -8.8169 -1.4181 -1.4178 0.0966 0.0966 0.3587 0.3593 1.3615 1.3618 7.9390 7.9400 8.3531 8.3532 9.7228 9.7234 11.6691 11.6700 k = 0.2368 0.2231-0.0251 ( 1791 PWs) bands (ev): -25.4927 -25.4927 -13.8944 -13.8944 -9.1623 -9.1598 -8.9261 -8.9246 -8.8216 -8.8171 -1.4342 -1.4339 0.0749 0.0750 0.3604 0.3610 1.3827 1.3830 7.9636 7.9645 8.4188 8.4189 9.7039 9.7044 11.6966 11.6973 k = 0.2456 0.2313-0.0261 ( 1793 PWs) bands (ev): -25.4915 -25.4915 -13.8916 -13.8915 -9.1678 -9.1653 -8.9331 -8.9316 -8.8218 -8.8172 -1.4490 -1.4487 0.0535 0.0536 0.3624 0.3630 1.4022 1.4025 7.9820 7.9828 8.4838 8.4839 9.6923 9.6928 11.7236 11.7240 k = 0.2544 0.2396-0.0270 ( 1793 PWs) bands (ev): -25.4903 -25.4903 -13.8886 -13.8886 -9.1734 -9.1709 -8.9402 -8.9388 -8.8219 -8.8172 -1.4625 -1.4622 0.0325 0.0325 0.3648 0.3654 1.4199 1.4202 7.9938 7.9945 8.5478 8.5479 9.6887 9.6891 11.7472 11.7479 k = 0.2632 0.2479-0.0279 ( 1803 PWs) bands (ev): -25.4891 -25.4891 -13.8856 -13.8856 -9.1792 -9.1766 -8.9476 -8.9462 -8.8219 -8.8172 -1.4747 -1.4744 0.0117 0.0117 0.3675 0.3682 1.4359 1.4361 7.9987 7.9992 8.6103 8.6104 9.6934 9.6936 11.7726 11.7734 k = 0.2719 0.2561-0.0289 ( 1801 PWs) bands (ev): -25.4879 -25.4879 -13.8826 -13.8825 -9.1851 -9.1824 -8.9551 -8.9537 -8.8217 -8.8171 -1.4857 -1.4853 -0.0088 -0.0088 0.3706 0.3713 1.4501 1.4503 7.9966 7.9970 8.6713 8.6714 9.7063 9.7064 11.8006 11.8015 k = 0.2807 0.2644-0.0298 ( 1801 PWs) bands (ev): -25.4867 -25.4867 -13.8794 -13.8793 -9.1910 -9.1883 -8.9627 -8.9614 -8.8216 -8.8170 -1.4953 -1.4950 -0.0288 -0.0287 0.3739 0.3746 1.4625 1.4627 7.9879 7.9882 8.7304 8.7306 9.7272 9.7272 11.8315 11.8325 k = 0.2895 0.2727-0.0307 ( 1799 PWs) bands (ev): -25.4855 -25.4855 -13.8762 -13.8761 -9.1970 -9.1943 -8.9703 -8.9691 -8.8213 -8.8168 -1.5037 -1.5034 -0.0483 -0.0482 0.3776 0.3783 1.4733 1.4734 7.9731 7.9732 8.7875 8.7876 9.7554 9.7555 11.8654 11.8664 k = 0.2982 0.2809-0.0317 ( 1799 PWs) bands (ev): -25.4843 -25.4843 -13.8730 -13.8729 -9.2030 -9.2003 -8.9780 -8.9769 -8.8210 -8.8166 -1.5110 -1.5106 -0.0673 -0.0673 0.3814 0.3821 1.4824 1.4825 7.9528 7.9528 8.8422 8.8423 9.7903 9.7905 11.9023 11.9033 k = 0.3070 0.2892-0.0326 ( 1795 PWs) bands (ev): -25.4832 -25.4832 -13.8697 -13.8696 -9.2091 -9.2063 -8.9858 -8.9847 -8.8206 -8.8163 -1.5170 -1.5166 -0.0857 -0.0857 0.3855 0.3862 1.4899 1.4900 7.9278 7.9279 8.8945 8.8946 9.8310 9.8313 11.9422 11.9433 k = 0.3158 0.2974-0.0335 ( 1792 PWs) bands (ev): -25.4820 -25.4820 -13.8664 -13.8664 -9.2151 -9.2124 -8.9935 -8.9925 -8.8202 -8.8160 -1.5220 -1.5216 -0.1035 -0.1035 0.3898 0.3905 1.4959 1.4960 7.8989 7.8991 8.9442 8.9443 9.8766 9.8769 11.9850 11.9861 k = 0.3246 0.3057-0.0345 ( 1792 PWs) bands (ev): -25.4809 -25.4809 -13.8632 -13.8631 -9.2211 -9.2184 -9.0011 -9.0003 -8.8197 -8.8156 -1.5259 -1.5255 -0.1207 -0.1207 0.3942 0.3949 1.5005 1.5006 7.8671 7.8674 8.9910 8.9912 9.9261 9.9265 12.0299 12.0308 k = 0.3333 0.3140-0.0354 ( 1792 PWs) bands (ev): -25.4799 -25.4799 -13.8599 -13.8599 -9.2271 -9.2244 -9.0086 -9.0079 -8.8193 -8.8153 -1.5289 -1.5285 -0.1373 -0.1373 0.3987 0.3994 1.5038 1.5038 7.8331 7.8335 9.0351 9.0352 9.9786 9.9791 12.0331 12.0341 k = 0.3421 0.3222-0.0363 ( 1794 PWs) bands (ev): -25.4789 -25.4789 -13.8567 -13.8567 -9.2329 -9.2303 -9.0161 -9.0154 -8.8188 -8.8149 -1.5310 -1.5306 -0.1532 -0.1532 0.4033 0.4040 1.5058 1.5058 7.7976 7.7981 9.0763 9.0764 10.0333 10.0339 12.0022 12.0033 k = 0.3509 0.3305-0.0373 ( 1794 PWs) bands (ev): -25.4779 -25.4779 -13.8535 -13.8535 -9.2387 -9.2361 -9.0233 -9.0227 -8.8182 -8.8145 -1.5323 -1.5319 -0.1683 -0.1683 0.4080 0.4087 1.5067 1.5068 7.7614 7.7618 9.1145 9.1146 10.0894 10.0899 11.9596 11.9606 k = 0.3596 0.3387-0.0382 ( 1792 PWs) bands (ev): -25.4769 -25.4769 -13.8504 -13.8504 -9.2443 -9.2418 -9.0303 -9.0298 -8.8177 -8.8142 -1.5328 -1.5324 -0.1827 -0.1827 0.4126 0.4133 1.5067 1.5067 7.7249 7.7254 9.1499 9.1500 10.1460 10.1466 11.9119 11.9128 k = 0.3684 0.3470-0.0391 ( 1790 PWs) bands (ev): -25.4760 -25.4760 -13.8474 -13.8474 -9.2498 -9.2473 -9.0371 -9.0367 -8.8171 -8.8138 -1.5326 -1.5323 -0.1963 -0.1963 0.4173 0.4179 1.5057 1.5057 7.6886 7.6891 9.1824 9.1825 10.2026 10.2032 11.8627 11.8635 k = 0.3772 0.3553-0.0401 ( 1785 PWs) bands (ev): -25.4751 -25.4751 -13.8445 -13.8445 -9.2550 -9.2527 -9.0436 -9.0433 -8.8166 -8.8134 -1.5319 -1.5316 -0.2091 -0.2091 0.4219 0.4225 1.5041 1.5041 7.6531 7.6536 9.2122 9.2123 10.2584 10.2590 11.8140 11.8148 k = 0.3860 0.3635-0.0410 ( 1788 PWs) bands (ev): -25.4743 -25.4743 -13.8417 -13.8417 -9.2601 -9.2578 -9.0498 -9.0495 -8.8160 -8.8131 -1.5308 -1.5304 -0.2212 -0.2212 0.4263 0.4269 1.5018 1.5018 7.6187 7.6192 9.2392 9.2393 10.3129 10.3135 11.7670 11.7676 k = 0.3947 0.3718-0.0419 ( 1785 PWs) bands (ev): -25.4736 -25.4736 -13.8390 -13.8390 -9.2649 -9.2627 -9.0557 -9.0555 -8.8155 -8.8127 -1.5292 -1.5289 -0.2324 -0.2324 0.4307 0.4312 1.4990 1.4990 7.5857 7.5862 9.2636 9.2637 10.3655 10.3661 11.7223 11.7229 k = 0.4035 0.3801-0.0428 ( 1779 PWs) bands (ev): -25.4728 -25.4728 -13.8365 -13.8365 -9.2694 -9.2674 -9.0612 -9.0610 -8.8150 -8.8124 -1.5274 -1.5271 -0.2428 -0.2428 0.4348 0.4353 1.4959 1.4960 7.5545 7.5550 9.2855 9.2856 10.4157 10.4163 11.6805 11.6810 k = 0.4123 0.3883-0.0438 ( 1777 PWs) bands (ev): -25.4722 -25.4722 -13.8341 -13.8341 -9.2736 -9.2717 -9.0663 -9.0661 -8.8145 -8.8121 -1.5254 -1.5251 -0.2523 -0.2523 0.4387 0.4392 1.4926 1.4927 7.5252 7.5257 9.3050 9.3051 10.4630 10.4635 11.6419 11.6424 k = 0.4211 0.3966-0.0447 ( 1775 PWs) bands (ev): -25.4716 -25.4716 -13.8319 -13.8319 -9.2775 -9.2758 -9.0710 -9.0709 -8.8140 -8.8119 -1.5232 -1.5230 -0.2609 -0.2609 0.4424 0.4428 1.4892 1.4892 7.4981 7.4985 9.3223 9.3224 10.5070 10.5075 11.6067 11.6071 k = 0.4298 0.4048-0.0456 ( 1775 PWs) bands (ev): -25.4710 -25.4710 -13.8299 -13.8299 -9.2810 -9.2795 -9.0752 -9.0751 -8.8136 -8.8117 -1.5211 -1.5208 -0.2687 -0.2687 0.4458 0.4462 1.4858 1.4858 7.4734 7.4738 9.3374 9.3374 10.5472 10.5477 11.5751 11.5755 k = 0.4386 0.4131-0.0466 ( 1777 PWs) bands (ev): -25.4706 -25.4706 -13.8282 -13.8281 -9.2842 -9.2829 -9.0790 -9.0790 -8.8131 -8.8115 -1.5190 -1.5187 -0.2756 -0.2756 0.4488 0.4492 1.4825 1.4825 7.4512 7.4516 9.3504 9.3504 10.5834 10.5839 11.5472 11.5476 k = 0.4474 0.4214-0.0475 ( 1775 PWs) bands (ev): -25.4702 -25.4702 -13.8266 -13.8266 -9.2870 -9.2859 -9.0824 -9.0823 -8.8127 -8.8113 -1.5170 -1.5168 -0.2815 -0.2815 0.4515 0.4519 1.4794 1.4795 7.4318 7.4321 9.3614 9.3615 10.6153 10.6157 11.5231 11.5234 k = 0.4561 0.4296-0.0484 ( 1777 PWs) bands (ev): -25.4698 -25.4698 -13.8252 -13.8252 -9.2894 -9.2884 -9.0852 -9.0852 -8.8124 -8.8112 -1.5152 -1.5150 -0.2866 -0.2866 0.4539 0.4542 1.4767 1.4767 7.4151 7.4154 9.3706 9.3707 10.6426 10.6429 11.5029 11.5031 k = 0.4649 0.4379-0.0494 ( 1775 PWs) bands (ev): -25.4695 -25.4695 -13.8241 -13.8241 -9.2914 -9.2906 -9.0875 -9.0875 -8.8121 -8.8111 -1.5136 -1.5135 -0.2908 -0.2908 0.4558 0.4561 1.4743 1.4743 7.4014 7.4016 9.3780 9.3781 10.6651 10.6654 11.4864 11.4866 k = 0.4737 0.4462-0.0503 ( 1777 PWs) bands (ev): -25.4693 -25.4693 -13.8232 -13.8232 -9.2929 -9.2923 -9.0894 -9.0894 -8.8118 -8.8111 -1.5123 -1.5122 -0.2940 -0.2940 0.4574 0.4576 1.4724 1.4724 7.3906 7.3908 9.3837 9.3837 10.6826 10.6829 11.4737 11.4739 k = 0.4825 0.4544-0.0512 ( 1777 PWs) bands (ev): -25.4691 -25.4691 -13.8226 -13.8226 -9.2939 -9.2935 -9.0907 -9.0907 -8.8116 -8.8111 -1.5114 -1.5113 -0.2963 -0.2963 0.4585 0.4586 1.4710 1.4710 7.3829 7.3830 9.3877 9.3878 10.6953 10.6954 11.4647 11.4648 k = 0.4912 0.4627-0.0522 ( 1774 PWs) bands (ev): -25.4690 -25.4690 -13.8222 -13.8222 -9.2945 -9.2943 -9.0915 -9.0915 -8.8114 -8.8112 -1.5108 -1.5108 -0.2977 -0.2977 0.4592 0.4592 1.4702 1.4702 7.3782 7.3783 9.3902 9.3902 10.7029 10.7030 11.4593 11.4594 k = 0.5000 0.4709-0.0531 ( 1776 PWs) bands (ev): -25.4690 -25.4690 -13.8221 -13.8221 -9.2947 -9.2947 -9.0917 -9.0917 -8.8113 -8.8113 -1.5106 -1.5106 -0.2982 -0.2982 0.4594 0.4594 1.4699 1.4699 7.3767 7.3767 9.3910 9.3910 10.7055 10.7055 11.4576 11.4576 k = 0.5000 0.4709-0.0531 ( 1776 PWs) bands (ev): -25.4690 -25.4690 -13.8221 -13.8221 -9.2947 -9.2947 -9.0917 -9.0917 -8.8113 -8.8113 -1.5106 -1.5106 -0.2982 -0.2982 0.4594 0.4594 1.4699 1.4699 7.3767 7.3767 9.3910 9.3910 10.7055 10.7055 11.4576 11.4576 k = 0.5007 0.4716-0.0411 ( 1775 PWs) bands (ev): -25.4690 -25.4690 -13.8220 -13.8220 -9.2946 -9.2945 -9.0916 -9.0916 -8.8117 -8.8116 -1.5113 -1.5111 -0.2983 -0.2983 0.4566 0.4568 1.4722 1.4724 7.3792 7.3793 9.3906 9.3906 10.7076 10.7077 11.4571 11.4572 k = 0.5014 0.4722-0.0291 ( 1775 PWs) bands (ev): -25.4689 -25.4689 -13.8217 -13.8217 -9.2945 -9.2942 -9.0913 -9.0913 -8.8129 -8.8126 -1.5131 -1.5129 -0.2988 -0.2988 0.4482 0.4486 1.4794 1.4797 7.3867 7.3871 9.3892 9.3892 10.7141 10.7142 11.4559 11.4559 k = 0.5020 0.4729-0.0171 ( 1775 PWs) bands (ev): -25.4687 -25.4687 -13.8212 -13.8212 -9.2942 -9.2938 -9.0907 -9.0907 -8.8149 -8.8144 -1.5163 -1.5159 -0.2996 -0.2996 0.4348 0.4354 1.4910 1.4915 7.3993 7.3999 9.3869 9.3869 10.7249 10.7251 11.4538 11.4540 k = 0.5027 0.4735-0.0051 ( 1775 PWs) bands (ev): -25.4685 -25.4685 -13.8206 -13.8206 -9.2937 -9.2933 -9.0899 -9.0899 -8.8175 -8.8170 -1.5206 -1.5201 -0.3007 -0.3007 0.4167 0.4174 1.5067 1.5073 7.4170 7.4177 9.3838 9.3838 10.7400 10.7402 11.4512 11.4513 k = 0.5034 0.4741 0.0069 ( 1777 PWs) bands (ev): -25.4682 -25.4682 -13.8198 -13.8198 -9.2932 -9.2926 -9.0889 -9.0889 -8.8209 -8.8202 -1.5261 -1.5255 -0.3021 -0.3021 0.3944 0.3953 1.5260 1.5266 7.4395 7.4404 9.3798 9.3798 10.7593 10.7596 11.4479 11.4481 k = 0.5041 0.4748 0.0189 ( 1777 PWs) bands (ev): -25.4679 -25.4679 -13.8188 -13.8188 -9.2925 -9.2917 -9.0877 -9.0877 -8.8250 -8.8241 -1.5328 -1.5321 -0.3038 -0.3038 0.3686 0.3696 1.5482 1.5489 7.4669 7.4679 9.3750 9.3750 10.7827 10.7830 11.4443 11.4446 k = 0.5047 0.4754 0.0309 ( 1774 PWs) bands (ev): -25.4674 -25.4674 -13.8176 -13.8176 -9.2916 -9.2908 -9.0862 -9.0862 -8.8297 -8.8287 -1.5406 -1.5399 -0.3058 -0.3058 0.3399 0.3410 1.5728 1.5736 7.4989 7.5001 9.3694 9.3694 10.8101 10.8105 11.4406 11.4410 k = 0.5054 0.4760 0.0429 ( 1770 PWs) bands (ev): -25.4670 -25.4670 -13.8162 -13.8162 -9.2907 -9.2897 -9.0846 -9.0846 -8.8350 -8.8339 -1.5495 -1.5487 -0.3080 -0.3080 0.3088 0.3100 1.5993 1.6001 7.5355 7.5368 9.3631 9.3631 10.8414 10.8418 11.4370 11.4375 k = 0.5061 0.4767 0.0549 ( 1767 PWs) bands (ev): -25.4665 -25.4665 -13.8147 -13.8147 -9.2897 -9.2886 -9.0828 -9.0828 -8.8409 -8.8396 -1.5596 -1.5587 -0.3105 -0.3105 0.2759 0.2771 1.6272 1.6281 7.5764 7.5779 9.3561 9.3561 10.8764 10.8767 11.4338 11.4345 k = 0.5068 0.4773 0.0669 ( 1774 PWs) bands (ev): -25.4659 -25.4659 -13.8131 -13.8131 -9.2886 -9.2874 -9.0808 -9.0808 -8.8474 -8.8460 -1.5707 -1.5697 -0.3133 -0.3133 0.2416 0.2428 1.6560 1.6569 7.6215 7.6231 9.3485 9.3485 10.9148 10.9149 11.4315 11.4324 k = 0.5074 0.4779 0.0789 ( 1772 PWs) bands (ev): -25.4653 -25.4653 -13.8113 -13.8113 -9.2874 -9.2861 -9.0786 -9.0786 -8.8543 -8.8528 -1.5828 -1.5817 -0.3164 -0.3164 0.2064 0.2076 1.6854 1.6863 7.6706 7.6723 9.3403 9.3403 10.9560 10.9562 11.4305 11.4318 k = 0.5081 0.4786 0.0909 ( 1774 PWs) bands (ev): -25.4647 -25.4647 -13.8094 -13.8094 -9.2862 -9.2847 -9.0763 -9.0762 -8.8617 -8.8601 -1.5958 -1.5947 -0.3196 -0.3196 0.1706 0.1719 1.7151 1.7160 7.7233 7.7252 9.3317 9.3317 10.9995 11.0000 11.4316 11.4333 k = 0.5088 0.4792 0.1029 ( 1774 PWs) bands (ev): -25.4640 -25.4640 -13.8074 -13.8074 -9.2849 -9.2833 -9.0738 -9.0738 -8.8695 -8.8677 -1.6098 -1.6086 -0.3231 -0.3231 0.1346 0.1359 1.7448 1.7456 7.7796 7.7815 9.3226 9.3226 11.0446 11.0456 11.4356 11.4379 k = 0.5095 0.4798 0.1149 ( 1774 PWs) bands (ev): -25.4633 -25.4633 -13.8053 -13.8053 -9.2836 -9.2819 -9.0712 -9.0711 -8.8776 -8.8757 -1.6245 -1.6233 -0.3267 -0.3267 0.0986 0.0999 1.7742 1.7750 7.8389 7.8409 9.3132 9.3132 11.0900 11.0917 11.4437 11.4468 k = 0.5101 0.4805 0.1269 ( 1768 PWs) bands (ev): -25.4625 -25.4625 -13.8030 -13.8030 -9.2823 -9.2805 -9.0684 -9.0684 -8.8859 -8.8839 -1.6400 -1.6388 -0.3306 -0.3306 0.0629 0.0641 1.8032 1.8040 7.9012 7.9032 9.3034 9.3035 11.1343 11.1369 11.4576 11.4616 k = 0.5108 0.4811 0.1389 ( 1769 PWs) bands (ev): -25.4617 -25.4617 -13.8007 -13.8007 -9.2810 -9.2791 -9.0656 -9.0655 -8.8945 -8.8923 -1.6562 -1.6550 -0.3345 -0.3345 0.0277 0.0289 1.8316 1.8323 7.9660 7.9680 9.2935 9.2935 11.1756 11.1792 11.4793 11.4844 k = 0.5115 0.4818 0.1508 ( 1769 PWs) bands (ev): -25.4609 -25.4609 -13.7983 -13.7983 -9.2797 -9.2778 -9.0626 -9.0626 -8.9032 -8.9009 -1.6730 -1.6718 -0.3386 -0.3386 -0.0069 -0.0057 1.8592 1.8599 8.0330 8.0351 9.2834 9.2834 11.2122 11.2167 11.5107 11.5169 k = 0.5122 0.4824 0.1628 ( 1774 PWs) bands (ev): -25.4601 -25.4601 -13.7959 -13.7959 -9.2786 -9.2765 -9.0597 -9.0596 -8.9120 -8.9096 -1.6903 -1.6891 -0.3429 -0.3429 -0.0406 -0.0395 1.8860 1.8866 8.1018 8.1039 9.2732 9.2732 11.2432 11.2486 11.5528 11.5599 k = 0.5128 0.4830 0.1748 ( 1776 PWs) bands (ev): -25.4592 -25.4592 -13.7934 -13.7934 -9.2774 -9.2754 -9.0566 -9.0565 -8.9208 -8.9184 -1.7081 -1.7068 -0.3472 -0.3472 -0.0735 -0.0724 1.9118 1.9124 8.1721 8.1742 9.2630 9.2630 11.2693 11.2752 11.6051 11.6129 k = 0.5135 0.4837 0.1868 ( 1770 PWs) bands (ev): -25.4584 -25.4584 -13.7909 -13.7909 -9.2764 -9.2743 -9.0535 -9.0534 -8.9295 -8.9270 -1.7261 -1.7249 -0.3515 -0.3515 -0.1052 -0.1042 1.9366 1.9371 8.2435 8.2456 9.2528 9.2528 11.2918 11.2980 11.6661 11.6743 k = 0.5142 0.4843 0.1988 ( 1770 PWs) bands (ev): -25.4575 -25.4575 -13.7884 -13.7883 -9.2755 -9.2733 -9.0504 -9.0503 -8.9381 -8.9355 -1.7443 -1.7431 -0.3559 -0.3559 -0.1358 -0.1348 1.9603 1.9608 8.3156 8.3176 9.2428 9.2428 11.3123 11.3188 11.7340 11.7425 k = 0.5149 0.4849 0.2108 ( 1772 PWs) bands (ev): -25.4567 -25.4567 -13.7858 -13.7858 -9.2747 -9.2725 -9.0473 -9.0471 -8.9465 -8.9439 -1.7626 -1.7614 -0.3603 -0.3603 -0.1652 -0.1643 1.9828 1.9833 8.3878 8.3898 9.2328 9.2328 11.3324 11.3389 11.8070 11.8158 k = 0.5155 0.4856 0.2228 ( 1772 PWs) bands (ev): -25.4558 -25.4558 -13.7833 -13.7833 -9.2741 -9.2718 -9.0442 -9.0440 -8.9547 -8.9521 -1.7809 -1.7798 -0.3647 -0.3647 -0.1933 -0.1925 2.0042 2.0045 8.4599 8.4618 9.2231 9.2231 11.3531 11.3597 11.8837 11.8928 k = 0.5162 0.4862 0.2348 ( 1778 PWs) bands (ev): -25.4550 -25.4550 -13.7808 -13.7808 -9.2736 -9.2714 -9.0411 -9.0410 -8.9626 -8.9600 -1.7991 -1.7980 -0.3690 -0.3690 -0.2201 -0.2193 2.0243 2.0246 8.5314 8.5332 9.2135 9.2135 11.3751 11.3819 11.9627 11.9723 k = 0.5169 0.4868 0.2468 ( 1778 PWs) bands (ev): -25.4542 -25.4542 -13.7784 -13.7783 -9.2733 -9.2711 -9.0382 -9.0380 -8.9701 -8.9675 -1.8170 -1.8160 -0.3733 -0.3733 -0.2455 -0.2448 2.0431 2.0434 8.6018 8.6035 9.2043 9.2043 11.3991 11.4060 12.0419 12.0527 k = 0.5176 0.4875 0.2588 ( 1778 PWs) bands (ev): -25.4534 -25.4534 -13.7759 -13.7759 -9.2731 -9.2710 -9.0353 -9.0351 -8.9772 -8.9746 -1.8346 -1.8336 -0.3775 -0.3775 -0.2696 -0.2689 2.0607 2.0610 8.6707 8.6723 9.1954 9.1954 11.4254 11.4324 12.0241 12.0245 k = 0.5182 0.4881 0.2708 ( 1779 PWs) bands (ev): -25.4526 -25.4526 -13.7736 -13.7736 -9.2731 -9.2710 -9.0325 -9.0323 -8.9838 -8.9813 -1.8517 -1.8508 -0.3816 -0.3816 -0.2922 -0.2916 2.0770 2.0772 8.7377 8.7392 9.1869 9.1869 11.4543 11.4615 11.9904 11.9907 k = 0.5189 0.4887 0.2828 ( 1777 PWs) bands (ev): -25.4518 -25.4518 -13.7714 -13.7713 -9.2733 -9.2713 -9.0299 -9.0296 -8.9899 -8.9874 -1.8682 -1.8674 -0.3856 -0.3855 -0.3133 -0.3128 2.0920 2.0922 8.8025 8.8038 9.1787 9.1787 11.4859 11.4932 11.9584 11.9587 k = 0.5196 0.4894 0.2948 ( 1775 PWs) bands (ev): -25.4511 -25.4511 -13.7692 -13.7692 -9.2736 -9.2717 -9.0276 -9.0272 -8.9954 -8.9930 -1.8841 -1.8833 -0.3894 -0.3893 -0.3330 -0.3325 2.1057 2.1059 8.8645 8.8657 9.1710 9.1710 11.5204 11.5278 11.9283 11.9286 k = 0.5203 0.4900 0.3068 ( 1775 PWs) bands (ev): -25.4504 -25.4504 -13.7671 -13.7671 -9.2740 -9.2723 -9.0255 -9.0252 -9.0001 -8.9979 -1.8991 -1.8984 -0.3930 -0.3929 -0.3512 -0.3508 2.1182 2.1183 8.9235 8.9246 9.1637 9.1637 11.5575 11.5651 11.9003 11.9005 k = 0.5209 0.4907 0.3188 ( 1778 PWs) bands (ev): -25.4497 -25.4497 -13.7652 -13.7652 -9.2746 -9.2730 -9.0240 -9.0236 -9.0041 -9.0021 -1.9133 -1.9127 -0.3965 -0.3964 -0.3679 -0.3676 2.1293 2.1294 8.9791 8.9800 9.1568 9.1568 11.5973 11.6051 11.8743 11.8746 k = 0.5216 0.4913 0.3308 ( 1776 PWs) bands (ev): -25.4491 -25.4491 -13.7634 -13.7634 -9.2752 -9.2738 -9.0231 -9.0228 -9.0069 -9.0051 -1.9265 -1.9259 -0.4000 -0.3998 -0.3829 -0.3827 2.1391 2.1392 9.0309 9.0317 9.1506 9.1506 11.6395 11.6474 11.8506 11.8509 k = 0.5223 0.4919 0.3428 ( 1772 PWs) bands (ev): -25.4486 -25.4486 -13.7617 -13.7617 -9.2759 -9.2747 -9.0231 -9.0231 -9.0083 -9.0070 -1.9387 -1.9382 -0.4042 -0.4038 -0.3956 -0.3955 2.1477 2.1478 9.0784 9.0792 9.1453 9.1453 11.6838 11.6918 11.8293 11.8295 k = 0.5230 0.4926 0.3548 ( 1771 PWs) bands (ev): -25.4480 -25.4480 -13.7602 -13.7602 -9.2766 -9.2756 -9.0243 -9.0241 -9.0084 -9.0076 -1.9497 -1.9493 -0.4121 -0.4115 -0.4029 -0.4027 2.1551 2.1551 9.1188 9.1194 9.1436 9.1436 11.7297 11.7379 11.8103 11.8106 k = 0.5236 0.4932 0.3668 ( 1767 PWs) bands (ev): -25.4476 -25.4476 -13.7589 -13.7589 -9.2773 -9.2765 -9.0259 -9.0257 -9.0078 -9.0073 -1.9595 -1.9591 -0.4222 -0.4218 -0.4061 -0.4060 2.1612 2.1612 9.1299 9.1301 9.1674 9.1678 11.7763 11.7848 11.7942 11.7948 k = 0.5243 0.4938 0.3788 ( 1768 PWs) bands (ev): -25.4472 -25.4472 -13.7577 -13.7577 -9.2779 -9.2774 -9.0277 -9.0274 -9.0069 -9.0066 -1.9680 -1.9678 -0.4315 -0.4311 -0.4084 -0.4083 2.1660 2.1661 9.1269 9.1270 9.2015 9.2018 11.7794 11.7795 11.8257 11.8335 k = 0.5250 0.4945 0.3908 ( 1768 PWs) bands (ev): -25.4468 -25.4468 -13.7567 -13.7567 -9.2785 -9.2783 -9.0292 -9.0291 -9.0059 -9.0058 -1.9753 -1.9751 -0.4395 -0.4392 -0.4102 -0.4102 2.1697 2.1698 9.1233 9.1233 9.2322 9.2325 11.7681 11.7682 11.8735 11.8813 k = 0.5257 0.4951 0.4028 ( 1768 PWs) bands (ev): -25.4466 -25.4466 -13.7559 -13.7559 -9.2791 -9.2790 -9.0306 -9.0305 -9.0050 -9.0049 -1.9811 -1.9810 -0.4462 -0.4459 -0.4117 -0.4116 2.1722 2.1722 9.1198 9.1199 9.2587 9.2589 11.7592 11.7594 11.9207 11.9283 k = 0.5257 0.4951 0.4028 ( 1768 PWs) bands (ev): -25.4466 -25.4466 -13.7559 -13.7559 -9.2791 -9.2790 -9.0306 -9.0305 -9.0050 -9.0049 -1.9811 -1.9810 -0.4462 -0.4459 -0.4117 -0.4116 2.1722 2.1722 9.1198 9.1199 9.2587 9.2589 11.7592 11.7594 11.9207 11.9283 k = 0.5214 0.4911 0.4116 ( 1768 PWs) bands (ev): -25.4463 -25.4463 -13.7552 -13.7551 -9.2795 -9.2795 -9.0313 -9.0313 -9.0047 -9.0047 -1.9860 -1.9860 -0.4513 -0.4511 -0.4142 -0.4142 2.1740 2.1740 9.1202 9.1202 9.2799 9.2801 11.7562 11.7563 11.9691 11.9765 k = 0.5171 0.4871 0.4205 ( 1773 PWs) bands (ev): -25.4461 -25.4461 -13.7546 -13.7546 -9.2799 -9.2798 -9.0320 -9.0320 -9.0045 -9.0045 -1.9901 -1.9901 -0.4555 -0.4554 -0.4164 -0.4163 2.1755 2.1755 9.1205 9.1205 9.2977 9.2978 11.7537 11.7538 12.0142 12.0212 k = 0.5128 0.4830 0.4293 ( 1778 PWs) bands (ev): -25.4460 -25.4460 -13.7541 -13.7541 -9.2801 -9.2801 -9.0325 -9.0325 -9.0044 -9.0044 -1.9933 -1.9933 -0.4589 -0.4587 -0.4180 -0.4180 2.1766 2.1767 9.1206 9.1207 9.3117 9.3118 11.7517 11.7518 12.0544 12.0606 k = 0.5086 0.4790 0.4382 ( 1774 PWs) bands (ev): -25.4459 -25.4459 -13.7538 -13.7538 -9.2803 -9.2803 -9.0328 -9.0328 -9.0042 -9.0042 -1.9956 -1.9956 -0.4612 -0.4611 -0.4192 -0.4192 2.1775 2.1775 9.1208 9.1208 9.3219 9.3220 11.7503 11.7504 12.0874 12.0923 k = 0.5043 0.4750 0.4470 ( 1776 PWs) bands (ev): -25.4458 -25.4458 -13.7536 -13.7536 -9.2805 -9.2805 -9.0330 -9.0330 -9.0042 -9.0042 -1.9970 -1.9969 -0.4627 -0.4626 -0.4199 -0.4199 2.1780 2.1780 9.1209 9.1209 9.3281 9.3281 11.7495 11.7496 12.1101 12.1128 k = 0.5000 0.4709 0.4559 ( 1776 PWs) bands (ev): -25.4458 -25.4458 -13.7535 -13.7535 -9.2805 -9.2805 -9.0331 -9.0331 -9.0041 -9.0041 -1.9974 -1.9974 -0.4631 -0.4631 -0.4201 -0.4201 2.1781 2.1781 9.1209 9.1209 9.3301 9.3301 11.7493 11.7493 12.1192 12.1192 k = 0.5000 0.4709 0.4559 ( 1776 PWs) bands (ev): -25.4458 -25.4458 -13.7535 -13.7535 -9.2805 -9.2805 -9.0331 -9.0331 -9.0041 -9.0041 -1.9974 -1.9974 -0.4631 -0.4631 -0.4201 -0.4201 2.1781 2.1781 9.1209 9.1209 9.3301 9.3301 11.7493 11.7493 12.1192 12.1192 k = 0.5075 0.4630 0.4559 ( 1776 PWs) bands (ev): -25.4458 -25.4458 -13.7536 -13.7536 -9.2808 -9.2802 -9.0335 -9.0328 -9.0043 -9.0037 -1.9970 -1.9969 -0.4633 -0.4625 -0.4198 -0.4192 2.1780 2.1780 9.1186 9.1187 9.3302 9.3303 11.7434 11.7450 12.1196 12.1207 k = 0.5149 0.4551 0.4559 ( 1778 PWs) bands (ev): -25.4459 -25.4459 -13.7538 -13.7538 -9.2811 -9.2799 -9.0339 -9.0325 -9.0043 -9.0032 -1.9957 -1.9956 -0.4630 -0.4616 -0.4183 -0.4171 2.1775 2.1776 9.1118 9.1122 9.3303 9.3305 11.7279 11.7308 12.1220 12.1240 k = 0.5224 0.4471 0.4559 ( 1776 PWs) bands (ev): -25.4460 -25.4460 -13.7541 -13.7541 -9.2813 -9.2795 -9.0344 -9.0324 -9.0041 -9.0024 -1.9936 -1.9934 -0.4623 -0.4602 -0.4155 -0.4137 2.1767 2.1769 9.1008 9.1013 9.3307 9.3309 11.7038 11.7079 12.1254 12.1282 k = 0.5299 0.4392 0.4559 ( 1782 PWs) bands (ev): -25.4462 -25.4462 -13.7546 -13.7545 -9.2816 -9.2792 -9.0350 -9.0323 -9.0038 -9.0015 -1.9906 -1.9903 -0.4611 -0.4585 -0.4115 -0.4093 2.1756 2.1758 9.0855 9.0862 9.3311 9.3315 11.6725 11.6774 12.1292 12.1325 k = 0.5374 0.4313 0.4559 ( 1780 PWs) bands (ev): -25.4463 -25.4463 -13.7551 -13.7551 -9.2818 -9.2788 -9.0356 -9.0322 -9.0032 -9.0003 -1.9867 -1.9864 -0.4593 -0.4563 -0.4063 -0.4038 2.1743 2.1745 9.0663 9.0671 9.3318 9.3322 11.6354 11.6409 12.1326 12.1362 k = 0.5448 0.4234 0.4559 ( 1780 PWs) bands (ev): -25.4466 -25.4466 -13.7558 -13.7558 -9.2819 -9.2784 -9.0362 -9.0322 -9.0024 -8.9990 -1.9820 -1.9816 -0.4570 -0.4537 -0.4000 -0.3974 2.1726 2.1729 9.0434 9.0442 9.3326 9.3330 11.5937 11.5995 12.1350 12.1387 k = 0.5523 0.4154 0.4559 ( 1786 PWs) bands (ev): -25.4469 -25.4469 -13.7566 -13.7566 -9.2821 -9.2781 -9.0369 -9.0323 -9.0014 -8.9976 -1.9765 -1.9761 -0.4541 -0.4506 -0.3928 -0.3899 2.1706 2.1709 9.0169 9.0178 9.3336 9.3340 11.5484 11.5545 12.1360 12.1399 k = 0.4477-0.4753 0.5090 ( 1786 PWs) bands (ev): -25.4469 -25.4469 -13.7566 -13.7566 -9.2821 -9.2781 -9.0369 -9.0323 -9.0014 -8.9976 -1.9765 -1.9761 -0.4541 -0.4506 -0.3928 -0.3899 2.1706 2.1709 9.0169 9.0178 9.3336 9.3340 11.5484 11.5545 12.1360 12.1399 k = 0.4396-0.4667 0.5090 ( 1780 PWs) bands (ev): -25.4472 -25.4472 -13.7576 -13.7576 -9.2822 -9.2776 -9.0376 -9.0324 -9.0001 -8.9957 -1.9696 -1.9692 -0.4503 -0.4466 -0.3836 -0.3807 2.1680 2.1684 8.9845 8.9854 9.3349 9.3353 11.4961 11.5022 12.1355 12.1394 k = 0.4314-0.4580 0.5090 ( 1782 PWs) bands (ev): -25.4476 -25.4476 -13.7588 -13.7588 -9.2823 -9.2772 -9.0384 -9.0325 -8.9985 -8.9937 -1.9619 -1.9613 -0.4459 -0.4421 -0.3735 -0.3705 2.1650 2.1654 8.9486 8.9496 9.3363 9.3367 11.4415 11.4476 12.1332 12.1371 k = 0.4233-0.4494 0.5090 ( 1780 PWs) bands (ev): -25.4480 -25.4480 -13.7601 -13.7601 -9.2823 -9.2768 -9.0391 -9.0326 -8.9967 -8.9914 -1.9533 -1.9527 -0.4409 -0.4370 -0.3622 -0.3593 2.1616 2.1621 8.9099 8.9109 9.3380 9.3383 11.3854 11.3914 12.1290 12.1330 k = 0.4151-0.4408 0.5090 ( 1778 PWs) bands (ev): -25.4485 -25.4485 -13.7615 -13.7615 -9.2823 -9.2763 -9.0397 -9.0328 -8.9946 -8.9889 -1.9439 -1.9432 -0.4352 -0.4314 -0.3500 -0.3471 2.1578 2.1583 8.8687 8.8697 9.3397 9.3400 11.3284 11.3344 12.1230 12.1271 k = 0.4070-0.4321 0.5090 ( 1778 PWs) bands (ev): -25.4490 -25.4490 -13.7631 -13.7631 -9.2822 -9.2759 -9.0403 -9.0330 -8.9923 -8.9861 -1.9337 -1.9330 -0.4291 -0.4253 -0.3369 -0.3341 2.1535 2.1540 8.8254 8.8265 9.3416 9.3419 11.2713 11.2771 12.1151 12.1193 k = 0.3989-0.4235 0.5090 ( 1776 PWs) bands (ev): -25.4496 -25.4496 -13.7649 -13.7648 -9.2821 -9.2755 -9.0409 -9.0331 -8.9897 -8.9832 -1.9229 -1.9221 -0.4224 -0.4186 -0.3228 -0.3201 2.1487 2.1493 8.7806 8.7817 9.3436 9.3439 11.2145 11.2200 12.1051 12.1096 k = 0.3907-0.4148 0.5090 ( 1774 PWs) bands (ev): -25.4502 -25.4502 -13.7667 -13.7667 -9.2820 -9.2750 -9.0413 -9.0332 -8.9869 -8.9800 -1.9115 -1.9107 -0.4152 -0.4116 -0.3080 -0.3053 2.1435 2.1441 8.7346 8.7358 9.3456 9.3459 11.1584 11.1637 12.0929 12.0977 k = 0.3826-0.4062 0.5090 ( 1774 PWs) bands (ev): -25.4509 -25.4509 -13.7688 -13.7687 -9.2818 -9.2746 -9.0416 -9.0332 -8.9838 -8.9766 -1.8995 -1.8986 -0.4077 -0.4042 -0.2924 -0.2897 2.1377 2.1383 8.6880 8.6891 9.3477 9.3480 11.1035 11.1086 12.0780 12.0833 k = 0.3744-0.3975 0.5090 ( 1774 PWs) bands (ev): -25.4516 -25.4516 -13.7709 -13.7709 -9.2815 -9.2742 -9.0417 -9.0331 -8.9804 -8.9730 -1.8871 -1.8861 -0.3999 -0.3965 -0.2760 -0.2734 2.1314 2.1321 8.6410 8.6422 9.3496 9.3499 11.0502 11.0550 12.0600 12.0659 k = 0.3663-0.3889 0.5090 ( 1774 PWs) bands (ev): -25.4523 -25.4523 -13.7732 -13.7732 -9.2811 -9.2737 -9.0417 -9.0330 -8.9768 -8.9692 -1.8742 -1.8733 -0.3917 -0.3885 -0.2589 -0.2564 2.1245 2.1252 8.5941 8.5954 9.3514 9.3517 10.9988 11.0034 12.0384 12.0448 k = 0.3582-0.3803 0.5090 ( 1776 PWs) bands (ev): -25.4531 -25.4531 -13.7757 -13.7756 -9.2807 -9.2733 -9.0415 -9.0327 -8.9730 -8.9651 -1.8611 -1.8601 -0.3834 -0.3802 -0.2413 -0.2388 2.1170 2.1178 8.5477 8.5490 9.3529 9.3533 10.9497 10.9541 12.0126 12.0196 k = 0.3500-0.3716 0.5090 ( 1774 PWs) bands (ev): -25.4539 -25.4539 -13.7782 -13.7782 -9.2802 -9.2728 -9.0411 -9.0322 -8.9690 -8.9609 -1.8477 -1.8466 -0.3748 -0.3718 -0.2230 -0.2205 2.1090 2.1098 8.5021 8.5034 9.3540 9.3545 10.9033 10.9075 11.9826 11.9901 k = 0.3419-0.3630 0.5090 ( 1778 PWs) bands (ev): -25.4547 -25.4547 -13.7809 -13.7809 -9.2796 -9.2723 -9.0404 -9.0317 -8.9647 -8.9564 -1.8342 -1.8331 -0.3661 -0.3632 -0.2041 -0.2016 2.1003 2.1011 8.4576 8.4589 9.3547 9.3551 10.8599 10.8638 11.9485 11.9562 k = 0.3337-0.3543 0.5090 ( 1774 PWs) bands (ev): -25.4555 -25.4555 -13.7837 -13.7837 -9.2790 -9.2718 -9.0395 -9.0309 -8.9602 -8.9518 -1.8207 -1.8195 -0.3573 -0.3546 -0.1847 -0.1822 2.0910 2.0918 8.4144 8.4158 9.3547 9.3552 10.8198 10.8234 11.9108 11.9187 k = 0.3256-0.3457 0.5090 ( 1772 PWs) bands (ev): -25.4564 -25.4564 -13.7867 -13.7866 -9.2782 -9.2712 -9.0384 -9.0299 -8.9555 -8.9469 -1.8072 -1.8060 -0.3484 -0.3459 -0.1649 -0.1623 2.0811 2.0819 8.3729 8.3743 9.3540 9.3545 10.7832 10.7866 11.8702 11.8780 k = 0.3175-0.3371 0.5090 ( 1774 PWs) bands (ev): -25.4574 -25.4574 -13.7897 -13.7897 -9.2774 -9.2706 -9.0370 -9.0287 -8.9506 -8.9419 -1.7938 -1.7926 -0.3395 -0.3371 -0.1446 -0.1421 2.0705 2.0713 8.3332 8.3347 9.3523 9.3529 10.7505 10.7537 11.8272 11.8349 k = 0.3093-0.3284 0.5090 ( 1776 PWs) bands (ev): -25.4583 -25.4583 -13.7929 -13.7928 -9.2765 -9.2700 -9.0354 -9.0273 -8.9455 -8.9367 -1.7807 -1.7794 -0.3306 -0.3283 -0.1240 -0.1215 2.0593 2.0601 8.2956 8.2971 9.3496 9.3502 10.7219 10.7248 11.7826 11.7900 k = 0.3012-0.3198 0.5090 ( 1776 PWs) bands (ev): -25.4593 -25.4593 -13.7962 -13.7961 -9.2754 -9.2693 -9.0334 -9.0257 -8.9402 -8.9314 -1.7679 -1.7667 -0.3217 -0.3196 -0.1031 -0.1006 2.0474 2.0482 8.2601 8.2617 9.3456 9.3463 10.6975 10.7002 11.7367 11.7438 k = 0.2930-0.3111 0.5090 ( 1782 PWs) bands (ev): -25.4603 -25.4603 -13.7996 -13.7995 -9.2743 -9.2685 -9.0313 -9.0238 -8.9348 -8.9259 -1.7556 -1.7543 -0.3128 -0.3108 -0.0819 -0.0794 2.0348 2.0356 8.2270 8.2287 9.3404 9.3411 10.6776 10.6800 11.6901 11.6969 k = 0.2849-0.3025 0.5090 ( 1778 PWs) bands (ev): -25.4612 -25.4612 -13.8030 -13.8029 -9.2731 -9.2676 -9.0288 -9.0216 -8.9292 -8.9203 -1.7438 -1.7425 -0.3039 -0.3020 -0.0604 -0.0579 2.0216 2.0224 8.1964 8.1981 9.3337 9.3346 10.6622 10.6644 11.6432 11.6496 k = 0.2768-0.2938 0.5090 ( 1780 PWs) bands (ev): -25.4623 -25.4623 -13.8066 -13.8065 -9.2717 -9.2667 -9.0261 -9.0192 -8.9235 -8.9146 -1.7327 -1.7313 -0.2950 -0.2933 -0.0388 -0.0363 2.0078 2.0086 8.1683 8.1700 9.3257 9.3266 10.6512 10.6532 11.5962 11.6023 k = 0.2686-0.2852 0.5090 ( 1780 PWs) bands (ev): -25.4633 -25.4633 -13.8102 -13.8101 -9.2703 -9.2656 -9.0231 -9.0165 -8.9177 -8.9088 -1.7223 -1.7209 -0.2861 -0.2845 -0.0170 -0.0145 1.9932 1.9940 8.1427 8.1445 9.3161 9.3171 10.6447 10.6464 11.5494 11.5552 k = 0.2605-0.2766 0.5090 ( 1782 PWs) bands (ev): -25.4643 -25.4643 -13.8139 -13.8138 -9.2688 -9.2645 -9.0199 -9.0136 -8.9118 -8.9028 -1.7126 -1.7112 -0.2772 -0.2757 0.0049 0.0073 1.9782 1.9789 8.1198 8.1217 9.3052 9.3063 10.6424 10.6438 11.5034 11.5088 k = 0.2523-0.2679 0.5090 ( 1782 PWs) bands (ev): -25.4654 -25.4654 -13.8176 -13.8175 -9.2672 -9.2632 -9.0164 -9.0104 -8.9058 -8.8969 -1.7039 -1.7025 -0.2683 -0.2669 0.0269 0.0292 1.9625 1.9633 8.0995 8.1014 9.2930 9.2941 10.6440 10.6452 11.4583 11.4633 k = 0.2442-0.2593 0.5090 ( 1778 PWs) bands (ev): -25.4664 -25.4664 -13.8214 -13.8213 -9.2654 -9.2619 -9.0128 -9.0069 -8.8997 -8.8908 -1.6960 -1.6946 -0.2593 -0.2581 0.0489 0.0512 1.9463 1.9471 8.0817 8.0838 9.2795 9.2807 10.6491 10.6501 11.4146 11.4193 k = 0.2361-0.2506 0.5090 ( 1780 PWs) bands (ev): -25.4674 -25.4674 -13.8252 -13.8251 -9.2637 -9.2604 -9.0089 -9.0031 -8.8936 -8.8847 -1.6892 -1.6878 -0.2502 -0.2491 0.0708 0.0731 1.9295 1.9303 8.0665 8.0686 9.2649 9.2662 10.6571 10.6580 11.3727 11.3770 k = 0.2279-0.2420 0.5090 ( 1782 PWs) bands (ev): -25.4685 -25.4685 -13.8290 -13.8289 -9.2618 -9.2588 -9.0048 -8.9992 -8.8874 -8.8786 -1.6835 -1.6821 -0.2411 -0.2401 0.0927 0.0949 1.9123 1.9131 8.0538 8.0559 9.2494 9.2507 10.6674 10.6680 11.3332 11.3371 k = 0.2198-0.2333 0.5090 ( 1782 PWs) bands (ev): -25.4695 -25.4695 -13.8329 -13.8328 -9.2599 -9.2571 -9.0006 -8.9950 -8.8812 -8.8725 -1.6788 -1.6774 -0.2319 -0.2310 0.1145 0.1166 1.8947 1.8955 8.0435 8.0457 9.2332 9.2345 10.6790 10.6794 11.2967 11.3003 k = 0.2116-0.2247 0.5090 ( 1780 PWs) bands (ev): -25.4705 -25.4705 -13.8368 -13.8366 -9.2579 -9.2552 -8.9962 -8.9906 -8.8750 -8.8664 -1.6752 -1.6738 -0.2225 -0.2217 0.1361 0.1381 1.8767 1.8775 8.0354 8.0376 9.2163 9.2177 10.6907 10.6911 11.2641 11.2673 k = 0.2035-0.2161 0.5090 ( 1782 PWs) bands (ev): -25.4715 -25.4715 -13.8406 -13.8405 -9.2559 -9.2533 -8.9916 -8.9861 -8.8688 -8.8604 -1.6727 -1.6714 -0.2130 -0.2123 0.1575 0.1595 1.8585 1.8592 8.0295 8.0318 9.1990 9.2004 10.7012 10.7016 11.2364 11.2391 k = 0.1954-0.2074 0.5090 ( 1780 PWs) bands (ev): -25.4725 -25.4725 -13.8444 -13.8443 -9.2538 -9.2512 -8.9870 -8.9814 -8.8626 -8.8544 -1.6713 -1.6700 -0.2034 -0.2028 0.1787 0.1806 1.8399 1.8407 8.0256 8.0280 9.1815 9.1829 10.7089 10.7096 11.2145 11.2169 k = 0.1872-0.1988 0.5090 ( 1778 PWs) bands (ev): -25.4735 -25.4735 -13.8482 -13.8481 -9.2517 -9.2490 -8.9822 -8.9766 -8.8565 -8.8484 -1.6710 -1.6697 -0.1936 -0.1931 0.1996 0.2014 1.8212 1.8220 8.0236 8.0260 9.1638 9.1652 10.7126 10.7134 11.1996 11.2015 k = 0.1791-0.1901 0.5090 ( 1778 PWs) bands (ev): -25.4745 -25.4745 -13.8520 -13.8519 -9.2495 -9.2468 -8.9774 -8.9717 -8.8505 -8.8425 -1.6717 -1.6704 -0.1838 -0.1834 0.2201 0.2218 1.8024 1.8032 8.0234 8.0258 9.1461 9.1475 10.7109 10.7120 11.1921 11.1935 k = 0.1709-0.1815 0.5090 ( 1778 PWs) bands (ev): -25.4754 -25.4754 -13.8557 -13.8556 -9.2473 -9.2445 -8.9725 -8.9668 -8.8445 -8.8368 -1.6734 -1.6722 -0.1739 -0.1735 0.2403 0.2419 1.7837 1.7844 8.0247 8.0271 9.1285 9.1300 10.7035 10.7048 11.1918 11.1929 k = 0.1628-0.1728 0.5090 ( 1778 PWs) bands (ev): -25.4763 -25.4763 -13.8593 -13.8592 -9.2451 -9.2422 -8.9675 -8.9618 -8.8387 -8.8311 -1.6760 -1.6748 -0.1640 -0.1636 0.2600 0.2616 1.7649 1.7657 8.0274 8.0299 9.1113 9.1127 10.6905 10.6919 11.1976 11.1985 k = 0.1547-0.1642 0.5090 ( 1776 PWs) bands (ev): -25.4772 -25.4772 -13.8629 -13.8627 -9.2428 -9.2399 -8.9626 -8.9569 -8.8329 -8.8256 -1.6795 -1.6783 -0.1540 -0.1536 0.2793 0.2808 1.7463 1.7471 8.0314 8.0338 9.0943 9.0957 10.6728 10.6743 11.2080 11.2086 k = 0.1465-0.1556 0.5090 ( 1778 PWs) bands (ev): -25.4781 -25.4781 -13.8663 -13.8662 -9.2405 -9.2375 -8.9576 -8.9520 -8.8273 -8.8203 -1.6837 -1.6825 -0.1440 -0.1437 0.2980 0.2995 1.7279 1.7287 8.0364 8.0388 9.0778 9.0791 10.6514 10.6529 11.2207 11.2213 k = 0.1384-0.1469 0.5090 ( 1778 PWs) bands (ev): -25.4789 -25.4789 -13.8696 -13.8695 -9.2383 -9.2352 -8.9528 -8.9471 -8.8219 -8.8151 -1.6885 -1.6874 -0.1342 -0.1338 0.3162 0.3176 1.7098 1.7106 8.0423 8.0447 9.0618 9.0631 10.6275 10.6290 11.2339 11.2344 k = 0.1302-0.1383 0.5090 ( 1778 PWs) bands (ev): -25.4797 -25.4797 -13.8729 -13.8727 -9.2360 -9.2329 -8.9479 -8.9424 -8.8166 -8.8101 -1.6939 -1.6929 -0.1244 -0.1240 0.3337 0.3350 1.6921 1.6929 8.0490 8.0513 9.0463 9.0476 10.6021 10.6035 11.2457 11.2463 k = 0.1221-0.1296 0.5090 ( 1780 PWs) bands (ev): -25.4805 -25.4805 -13.8760 -13.8758 -9.2338 -9.2307 -8.9433 -8.9379 -8.8115 -8.8053 -1.6997 -1.6987 -0.1148 -0.1144 0.3506 0.3518 1.6749 1.6757 8.0562 8.0585 9.0315 9.0327 10.5758 10.5771 11.2549 11.2555 k = 0.1140-0.1210 0.5090 ( 1780 PWs) bands (ev): -25.4812 -25.4812 -13.8789 -13.8788 -9.2316 -9.2286 -8.9387 -8.9334 -8.8066 -8.8007 -1.7058 -1.7049 -0.1055 -0.1051 0.3667 0.3679 1.6583 1.6591 8.0638 8.0661 9.0174 9.0186 10.5494 10.5506 11.2609 11.2615 k = 0.1058-0.1124 0.5090 ( 1778 PWs) bands (ev): -25.4819 -25.4819 -13.8817 -13.8816 -9.2294 -9.2265 -8.9342 -8.9292 -8.8020 -8.7964 -1.7121 -1.7113 -0.0964 -0.0960 0.3821 0.3832 1.6424 1.6431 8.0717 8.0739 9.0041 9.0052 10.5233 10.5244 11.2634 11.2640 k = 0.0977-0.1037 0.5090 ( 1780 PWs) bands (ev): -25.4825 -25.4825 -13.8843 -13.8842 -9.2274 -9.2245 -8.9300 -8.9252 -8.7976 -8.7924 -1.7185 -1.7177 -0.0877 -0.0873 0.3966 0.3976 1.6271 1.6278 8.0796 8.0817 8.9916 8.9926 10.4979 10.4990 11.2627 11.2633 k = 0.0895-0.0951 0.5090 ( 1784 PWs) bands (ev): -25.4831 -25.4831 -13.8868 -13.8867 -9.2254 -9.2227 -8.9260 -8.9215 -8.7934 -8.7886 -1.7249 -1.7242 -0.0794 -0.0790 0.4101 0.4110 1.6128 1.6134 8.0875 8.0895 8.9798 8.9808 10.4736 10.4746 11.2595 11.2600 k = 0.0814-0.0864 0.5090 ( 1792 PWs) bands (ev): -25.4837 -25.4837 -13.8891 -13.8890 -9.2235 -9.2209 -8.9223 -8.9180 -8.7896 -8.7851 -1.7311 -1.7305 -0.0716 -0.0712 0.4227 0.4236 1.5993 1.5999 8.0952 8.0971 8.9690 8.9699 10.4507 10.4515 11.2542 11.2548 k = 0.0733-0.0778 0.5090 ( 1792 PWs) bands (ev): -25.4842 -25.4842 -13.8912 -13.8911 -9.2217 -9.2193 -8.9187 -8.9148 -8.7860 -8.7820 -1.7371 -1.7365 -0.0643 -0.0640 0.4343 0.4352 1.5868 1.5874 8.1026 8.1044 8.9591 8.9599 10.4293 10.4300 11.2477 11.2482 k = 0.0651-0.0691 0.5090 ( 1790 PWs) bands (ev): -25.4847 -25.4847 -13.8931 -13.8930 -9.2201 -9.2179 -8.9155 -8.9119 -8.7828 -8.7791 -1.7427 -1.7422 -0.0576 -0.0573 0.4449 0.4457 1.5755 1.5760 8.1096 8.1113 8.9502 8.9509 10.4096 10.4102 11.2405 11.2410 k = 0.0570-0.0605 0.5090 ( 1792 PWs) bands (ev): -25.4851 -25.4851 -13.8948 -13.8947 -9.2186 -9.2166 -8.9125 -8.9094 -8.7798 -8.7766 -1.7479 -1.7475 -0.0516 -0.0513 0.4544 0.4550 1.5653 1.5658 8.1161 8.1176 8.9422 8.9428 10.3919 10.3924 11.2331 11.2335 k = 0.0488-0.0519 0.5090 ( 1794 PWs) bands (ev): -25.4854 -25.4854 -13.8963 -13.8962 -9.2172 -9.2155 -8.9099 -8.9072 -8.7772 -8.7744 -1.7526 -1.7522 -0.0463 -0.0460 0.4627 0.4633 1.5563 1.5567 8.1219 8.1232 8.9352 8.9357 10.3762 10.3767 11.2260 11.2264 k = 0.0407-0.0432 0.5090 ( 1798 PWs) bands (ev): -25.4858 -25.4858 -13.8975 -13.8975 -9.2161 -9.2146 -8.9076 -8.9053 -8.7749 -8.7726 -1.7567 -1.7564 -0.0417 -0.0414 0.4698 0.4703 1.5485 1.5489 8.1270 8.1281 8.9293 8.9297 10.3628 10.3632 11.2195 11.2198 k = 0.0326-0.0346 0.5090 ( 1796 PWs) bands (ev): -25.4860 -25.4860 -13.8986 -13.8985 -9.2150 -9.2139 -8.9057 -8.9038 -8.7730 -8.7711 -1.7601 -1.7599 -0.0378 -0.0376 0.4757 0.4761 1.5422 1.5425 8.1313 8.1322 8.9244 8.9248 10.3516 10.3519 11.2139 11.2141 k = 0.0244-0.0259 0.5090 ( 1794 PWs) bands (ev): -25.4862 -25.4862 -13.8994 -13.8993 -9.2142 -9.2133 -8.9041 -8.9027 -8.7714 -8.7700 -1.7628 -1.7626 -0.0348 -0.0346 0.4803 0.4806 1.5372 1.5374 8.1348 8.1354 8.9206 8.9209 10.3429 10.3431 11.2093 11.2095 k = 0.0163-0.0173 0.5090 ( 1794 PWs) bands (ev): -25.4863 -25.4863 -13.8999 -13.8999 -9.2136 -9.2130 -8.9029 -8.9020 -8.7702 -8.7693 -1.7648 -1.7647 -0.0326 -0.0325 0.4837 0.4839 1.5336 1.5337 8.1373 8.1377 8.9179 8.9181 10.3366 10.3368 11.2059 11.2061 k = 0.0081-0.0086 0.5090 ( 1796 PWs) bands (ev): -25.4864 -25.4864 -13.9003 -13.9003 -9.2131 -9.2128 -8.9021 -8.9016 -8.7694 -8.7690 -1.7660 -1.7659 -0.0313 -0.0313 0.4857 0.4858 1.5314 1.5315 8.1389 8.1391 8.9163 8.9164 10.3328 10.3329 11.2039 11.2039 k = 0.0000 0.0000 0.5090 ( 1796 PWs) bands (ev): -25.4864 -25.4864 -13.9004 -13.9004 -9.2129 -9.2129 -8.9017 -8.9017 -8.7690 -8.7690 -1.7663 -1.7663 -0.0308 -0.0308 0.4865 0.4865 1.5307 1.5307 8.1395 8.1395 8.9158 8.9158 10.3316 10.3316 11.2032 11.2032 k = 0.0000 0.0000 0.5090 ( 1796 PWs) bands (ev): -25.4864 -25.4864 -13.9004 -13.9004 -9.2129 -9.2129 -8.9017 -8.9017 -8.7690 -8.7690 -1.7663 -1.7663 -0.0308 -0.0308 0.4865 0.4865 1.5307 1.5307 8.1395 8.1395 8.9158 8.9158 10.3316 10.3316 11.2032 11.2032 k = 0.0088 0.0083 0.5090 ( 1794 PWs) bands (ev): -25.4864 -25.4864 -13.9003 -13.9003 -9.2130 -9.2129 -8.9018 -8.9018 -8.7692 -8.7692 -1.7659 -1.7658 -0.0312 -0.0312 0.4857 0.4857 1.5309 1.5310 8.1400 8.1400 8.9153 8.9153 10.3336 10.3337 11.2036 11.2036 k = 0.0176 0.0165 0.5090 ( 1796 PWs) bands (ev): -25.4863 -25.4863 -13.8999 -13.8999 -9.2133 -9.2132 -8.9023 -8.9023 -8.7700 -8.7700 -1.7644 -1.7643 -0.0324 -0.0323 0.4832 0.4832 1.5314 1.5316 8.1414 8.1415 8.9138 8.9138 10.3398 10.3399 11.2047 11.2048 k = 0.0264 0.0248 0.5090 ( 1798 PWs) bands (ev): -25.4862 -25.4862 -13.8993 -13.8993 -9.2137 -9.2136 -8.9032 -8.9031 -8.7711 -8.7711 -1.7621 -1.7619 -0.0343 -0.0341 0.4792 0.4792 1.5323 1.5325 8.1439 8.1439 8.9112 8.9114 10.3500 10.3501 11.2066 11.2068 k = 0.0351 0.0331 0.5090 ( 1797 PWs) bands (ev): -25.4859 -25.4859 -13.8984 -13.8984 -9.2143 -9.2141 -8.9043 -8.9043 -8.7728 -8.7728 -1.7587 -1.7585 -0.0369 -0.0366 0.4736 0.4736 1.5337 1.5340 8.1474 8.1474 8.9078 8.9079 10.3642 10.3644 11.2092 11.2094 k = 0.0439 0.0414 0.5090 ( 1792 PWs) bands (ev): -25.4856 -25.4856 -13.8973 -13.8973 -9.2151 -9.2148 -8.9058 -8.9057 -8.7748 -8.7748 -1.7546 -1.7543 -0.0402 -0.0399 0.4664 0.4664 1.5355 1.5358 8.1519 8.1520 8.9035 8.9036 10.3825 10.3827 11.2125 11.2128 k = 0.0527 0.0496 0.5090 ( 1794 PWs) bands (ev): -25.4853 -25.4853 -13.8960 -13.8959 -9.2160 -9.2157 -8.9076 -8.9075 -8.7774 -8.7774 -1.7496 -1.7492 -0.0443 -0.0439 0.4577 0.4577 1.5377 1.5381 8.1574 8.1575 8.8983 8.8985 10.4045 10.4048 11.2165 11.2169 k = 0.0615 0.0579 0.5090 ( 1793 PWs) bands (ev): -25.4849 -25.4849 -13.8944 -13.8943 -9.2170 -9.2168 -8.9097 -8.9096 -8.7803 -8.7803 -1.7438 -1.7435 -0.0492 -0.0487 0.4475 0.4475 1.5405 1.5409 8.1640 8.1640 8.8924 8.8926 10.4304 10.4308 11.2211 11.2215 k = 0.0703 0.0662 0.5090 ( 1796 PWs) bands (ev): -25.4845 -25.4845 -13.8926 -13.8925 -9.2182 -9.2179 -8.9120 -8.9119 -8.7837 -8.7837 -1.7375 -1.7370 -0.0547 -0.0542 0.4359 0.4359 1.5437 1.5442 8.1715 8.1716 8.8858 8.8861 10.4599 10.4603 11.2263 11.2268 k = 0.0791 0.0745 0.5090 ( 1796 PWs) bands (ev): -25.4840 -25.4840 -13.8905 -13.8905 -9.2195 -9.2192 -8.9147 -8.9146 -8.7874 -8.7874 -1.7306 -1.7301 -0.0610 -0.0604 0.4229 0.4229 1.5476 1.5481 8.1802 8.1803 8.8787 8.8789 10.4929 10.4934 11.2320 11.2325 k = 0.0878 0.0827 0.5090 ( 1798 PWs) bands (ev): -25.4834 -25.4834 -13.8883 -13.8883 -9.2209 -9.2207 -8.9176 -8.9176 -8.7915 -8.7915 -1.7232 -1.7227 -0.0680 -0.0672 0.4086 0.4086 1.5521 1.5526 8.1899 8.1900 8.8711 8.8714 10.5293 10.5298 11.2381 11.2387 k = 0.0966 0.0910 0.5090 ( 1790 PWs) bands (ev): -25.4828 -25.4828 -13.8859 -13.8858 -9.2224 -9.2222 -8.9207 -8.9207 -8.7959 -8.7959 -1.7155 -1.7150 -0.0756 -0.0747 0.3930 0.3930 1.5573 1.5578 8.2007 8.2008 8.8633 8.8636 10.5689 10.5694 11.2447 11.2453 k = 0.1054 0.0993 0.5090 ( 1786 PWs) bands (ev): -25.4821 -25.4821 -13.8832 -13.8832 -9.2240 -9.2239 -8.9241 -8.9241 -8.8007 -8.8007 -1.7077 -1.7071 -0.0838 -0.0829 0.3763 0.3763 1.5632 1.5637 8.2125 8.2126 8.8552 8.8556 10.6114 10.6120 11.2515 11.2522 k = 0.1142 0.1076 0.5090 ( 1786 PWs) bands (ev): -25.4814 -25.4814 -13.8804 -13.8803 -9.2257 -9.2256 -8.9278 -8.9276 -8.8058 -8.8057 -1.6998 -1.6992 -0.0927 -0.0916 0.3584 0.3584 1.5698 1.5703 8.2254 8.2255 8.8472 8.8475 10.6567 10.6574 11.2586 11.2594 k = 0.1230 0.1158 0.5090 ( 1790 PWs) bands (ev): -25.4806 -25.4806 -13.8774 -13.8773 -9.2275 -9.2274 -8.9317 -8.9314 -8.8111 -8.8111 -1.6920 -1.6913 -0.1020 -0.1009 0.3395 0.3395 1.5772 1.5777 8.2394 8.2395 8.8393 8.8396 10.7046 10.7053 11.2659 11.2667 k = 0.1318 0.1241 0.5090 ( 1792 PWs) bands (ev): -25.4798 -25.4798 -13.8743 -13.8742 -9.2293 -9.2292 -8.9357 -8.9354 -8.8167 -8.8167 -1.6844 -1.6837 -0.1119 -0.1107 0.3196 0.3196 1.5854 1.5859 8.2545 8.2546 8.8316 8.8319 10.7547 10.7555 11.2733 11.2742 k = 0.1405 0.1324 0.5090 ( 1792 PWs) bands (ev): -25.4790 -25.4790 -13.8710 -13.8709 -9.2313 -9.2310 -8.9399 -8.9395 -8.8226 -8.8225 -1.6772 -1.6766 -0.1223 -0.1210 0.2988 0.2988 1.5944 1.5949 8.2706 8.2707 8.8244 8.8247 10.8070 10.8078 11.2808 11.2817 k = 0.1493 0.1407 0.5090 ( 1795 PWs) bands (ev): -25.4781 -25.4781 -13.8675 -13.8674 -9.2333 -9.2329 -8.9443 -8.9437 -8.8286 -8.8285 -1.6706 -1.6699 -0.1330 -0.1316 0.2772 0.2772 1.6043 1.6047 8.2878 8.2879 8.8177 8.8181 10.8609 10.8618 11.2883 11.2893 k = 0.1581 0.1489 0.5090 ( 1795 PWs) bands (ev): -25.4772 -25.4772 -13.8640 -13.8639 -9.2353 -9.2347 -8.9488 -8.9480 -8.8348 -8.8346 -1.6647 -1.6640 -0.1440 -0.1425 0.2549 0.2549 1.6150 1.6154 8.3060 8.3061 8.8118 8.8121 10.9163 10.9173 11.2958 11.2969 k = 0.1669 0.1572 0.5090 ( 1795 PWs) bands (ev): -25.4762 -25.4762 -13.8603 -13.8602 -9.2373 -9.2366 -8.9534 -8.9524 -8.8411 -8.8409 -1.6596 -1.6589 -0.1552 -0.1536 0.2320 0.2320 1.6267 1.6270 8.3252 8.3253 8.8068 8.8071 10.9728 10.9738 11.3034 11.3044 k = 0.1757 0.1655 0.5090 ( 1795 PWs) bands (ev): -25.4752 -25.4752 -13.8565 -13.8564 -9.2393 -9.2384 -8.9580 -8.9569 -8.8475 -8.8474 -1.6554 -1.6548 -0.1665 -0.1649 0.2085 0.2085 1.6392 1.6395 8.3454 8.3455 8.8027 8.8030 11.0301 11.0312 11.3108 11.3119 k = 0.1845 0.1737 0.5090 ( 1793 PWs) bands (ev): -25.4742 -25.4742 -13.8526 -13.8525 -9.2414 -9.2403 -8.9627 -8.9613 -8.8541 -8.8539 -1.6524 -1.6518 -0.1779 -0.1762 0.1846 0.1846 1.6526 1.6528 8.3666 8.3667 8.7998 8.8001 11.0877 11.0888 11.3183 11.3194 k = 0.1933 0.1820 0.5090 ( 1795 PWs) bands (ev): -25.4732 -25.4732 -13.8487 -13.8486 -9.2434 -9.2421 -8.9674 -8.9658 -8.8607 -8.8605 -1.6506 -1.6500 -0.1893 -0.1876 0.1603 0.1603 1.6668 1.6670 8.3887 8.3888 8.7982 8.7985 11.1452 11.1464 11.3258 11.3268 k = 0.2020 0.1903 0.5090 ( 1795 PWs) bands (ev): -25.4721 -25.4721 -13.8447 -13.8446 -9.2454 -9.2439 -8.9721 -8.9703 -8.8673 -8.8671 -1.6501 -1.6495 -0.2007 -0.1989 0.1357 0.1357 1.6818 1.6820 8.4117 8.4118 8.7980 8.7982 11.2021 11.2034 11.3332 11.3343 k = 0.2108 0.1986 0.5090 ( 1791 PWs) bands (ev): -25.4710 -25.4710 -13.8406 -13.8405 -9.2474 -9.2456 -8.9767 -8.9747 -8.8740 -8.8737 -1.6509 -1.6504 -0.2119 -0.2101 0.1109 0.1109 1.6977 1.6978 8.4355 8.4356 8.7992 8.7994 11.2580 11.2594 11.3408 11.3418 k = 0.2196 0.2068 0.5090 ( 1791 PWs) bands (ev): -25.4699 -25.4699 -13.8366 -13.8365 -9.2493 -9.2473 -8.9813 -8.9790 -8.8807 -8.8804 -1.6532 -1.6527 -0.2230 -0.2212 0.0859 0.0859 1.7144 1.7144 8.4601 8.4603 8.8019 8.8021 11.3122 11.3137 11.3487 11.3495 k = 0.2284 0.2151 0.5090 ( 1795 PWs) bands (ev): -25.4689 -25.4689 -13.8325 -13.8324 -9.2512 -9.2489 -8.9858 -8.9832 -8.8873 -8.8871 -1.6569 -1.6565 -0.2339 -0.2320 0.0609 0.0609 1.7317 1.7317 8.4855 8.4856 8.8062 8.8064 11.3550 11.3562 11.3659 11.3671 k = 0.2372 0.2234 0.5090 ( 1793 PWs) bands (ev): -25.4678 -25.4678 -13.8284 -13.8283 -9.2530 -9.2505 -8.9902 -8.9874 -8.8939 -8.8936 -1.6621 -1.6618 -0.2445 -0.2427 0.0359 0.0360 1.7497 1.7498 8.5115 8.5117 8.8121 8.8123 11.3641 11.3648 11.4148 11.4163 k = 0.2460 0.2317 0.5090 ( 1791 PWs) bands (ev): -25.4666 -25.4666 -13.8243 -13.8242 -9.2548 -9.2521 -8.9944 -8.9913 -8.9005 -8.9002 -1.6688 -1.6685 -0.2549 -0.2531 0.0111 0.0111 1.7683 1.7684 8.5382 8.5383 8.8197 8.8199 11.3726 11.3732 11.4613 11.4629 k = 0.2547 0.2399 0.5090 ( 1791 PWs) bands (ev): -25.4655 -25.4655 -13.8203 -13.8202 -9.2566 -9.2536 -8.9984 -8.9952 -8.9069 -8.9066 -1.6768 -1.6766 -0.2651 -0.2633 -0.0136 -0.0136 1.7875 1.7877 8.5654 8.5655 8.8290 8.8291 11.3816 11.3819 11.5045 11.5061 k = 0.2635 0.2482 0.5090 ( 1789 PWs) bands (ev): -25.4644 -25.4644 -13.8162 -13.8161 -9.2583 -9.2551 -9.0023 -8.9988 -8.9133 -8.9130 -1.6862 -1.6861 -0.2750 -0.2732 -0.0380 -0.0380 1.8072 1.8074 8.5930 8.5932 8.8398 8.8399 11.3911 11.3912 11.5438 11.5455 k = 0.2723 0.2565 0.5090 ( 1787 PWs) bands (ev): -25.4633 -25.4633 -13.8123 -13.8122 -9.2599 -9.2565 -9.0060 -9.0023 -8.9195 -8.9192 -1.6969 -1.6968 -0.2846 -0.2829 -0.0622 -0.0622 1.8273 1.8275 8.6211 8.6212 8.8522 8.8523 11.4012 11.4012 11.5791 11.5808 k = 0.2811 0.2648 0.5090 ( 1783 PWs) bands (ev): -25.4622 -25.4622 -13.8084 -13.8083 -9.2615 -9.2578 -9.0094 -9.0055 -8.9256 -8.9253 -1.7087 -1.7087 -0.2941 -0.2924 -0.0859 -0.0859 1.8477 1.8480 8.6494 8.6495 8.8661 8.8662 11.4119 11.4122 11.6103 11.6120 k = 0.2899 0.2730 0.5090 ( 1785 PWs) bands (ev): -25.4611 -25.4611 -13.8045 -13.8044 -9.2630 -9.2592 -9.0127 -9.0086 -8.9316 -8.9313 -1.7216 -1.7216 -0.3034 -0.3018 -0.1093 -0.1092 1.8684 1.8687 8.6780 8.6781 8.8814 8.8815 11.4234 11.4240 11.6373 11.6390 k = 0.2987 0.2813 0.5090 ( 1787 PWs) bands (ev): -25.4601 -25.4601 -13.8008 -13.8007 -9.2644 -9.2605 -9.0156 -9.0114 -8.9375 -8.9371 -1.7354 -1.7353 -0.3124 -0.3109 -0.1321 -0.1321 1.8893 1.8896 8.7066 8.7067 8.8980 8.8981 11.4359 11.4368 11.6604 11.6620 k = 0.3074 0.2896 0.5090 ( 1785 PWs) bands (ev): -25.4590 -25.4590 -13.7971 -13.7970 -9.2658 -9.2618 -9.0184 -9.0140 -8.9431 -8.9427 -1.7500 -1.7498 -0.3213 -0.3199 -0.1543 -0.1543 1.9102 1.9105 8.7352 8.7353 8.9158 8.9159 11.4495 11.4507 11.6797 11.6813 k = 0.3162 0.2979 0.5090 ( 1784 PWs) bands (ev): -25.4580 -25.4580 -13.7936 -13.7935 -9.2672 -9.2630 -9.0208 -9.0164 -8.9486 -8.9482 -1.7652 -1.7650 -0.3301 -0.3287 -0.1759 -0.1759 1.9310 1.9314 8.7637 8.7638 8.9346 8.9347 11.4643 11.4658 11.6957 11.6972 k = 0.3250 0.3061 0.5090 ( 1783 PWs) bands (ev): -25.4570 -25.4570 -13.7901 -13.7900 -9.2684 -9.2642 -9.0230 -9.0186 -8.9538 -8.9534 -1.7808 -1.7805 -0.3388 -0.3374 -0.1969 -0.1969 1.9517 1.9521 8.7920 8.7921 8.9543 8.9543 11.4803 11.4822 11.7085 11.7100 k = 0.3338 0.3144 0.5090 ( 1781 PWs) bands (ev): -25.4560 -25.4560 -13.7868 -13.7867 -9.2696 -9.2654 -9.0249 -9.0205 -8.9589 -8.9585 -1.7967 -1.7964 -0.3473 -0.3460 -0.2171 -0.2171 1.9721 1.9725 8.8200 8.8201 8.9746 8.9747 11.4976 11.4999 11.7187 11.7201 k = 0.3426 0.3227 0.5090 ( 1774 PWs) bands (ev): -25.4551 -25.4551 -13.7836 -13.7835 -9.2708 -9.2666 -9.0266 -9.0223 -8.9637 -8.9632 -1.8128 -1.8125 -0.3556 -0.3545 -0.2365 -0.2365 1.9922 1.9925 8.8475 8.8476 8.9956 8.9956 11.5163 11.5190 11.7266 11.7279 k = 0.3514 0.3310 0.5090 ( 1774 PWs) bands (ev): -25.4542 -25.4542 -13.7806 -13.7805 -9.2718 -9.2677 -9.0280 -9.0238 -8.9683 -8.9678 -1.8289 -1.8285 -0.3639 -0.3628 -0.2551 -0.2551 2.0117 2.0120 8.8744 8.8745 9.0168 9.0169 11.5364 11.5395 11.7325 11.7337 k = 0.3602 0.3392 0.5090 ( 1775 PWs) bands (ev): -25.4533 -25.4533 -13.7777 -13.7776 -9.2729 -9.2688 -9.0292 -9.0251 -8.9727 -8.9722 -1.8448 -1.8444 -0.3720 -0.3710 -0.2729 -0.2729 2.0306 2.0309 8.9006 8.9007 9.0382 9.0383 11.5579 11.5613 11.7367 11.7380 k = 0.3689 0.3475 0.5090 ( 1772 PWs) bands (ev): -25.4525 -25.4525 -13.7749 -13.7749 -9.2738 -9.2699 -9.0301 -9.0263 -8.9768 -8.9763 -1.8603 -1.8599 -0.3799 -0.3789 -0.2898 -0.2898 2.0487 2.0491 8.9260 8.9260 9.0597 9.0597 11.5807 11.5846 11.7398 11.7409 k = 0.3777 0.3558 0.5090 ( 1772 PWs) bands (ev): -25.4517 -25.4517 -13.7724 -13.7723 -9.2747 -9.2710 -9.0309 -9.0272 -8.9807 -8.9801 -1.8754 -1.8751 -0.3876 -0.3867 -0.3058 -0.3057 2.0660 2.0663 8.9503 8.9504 9.0809 9.0809 11.6049 11.6091 11.7418 11.7429 k = 0.3865 0.3640 0.5090 ( 1770 PWs) bands (ev): -25.4510 -25.4510 -13.7700 -13.7699 -9.2755 -9.2720 -9.0314 -9.0281 -8.9843 -8.9837 -1.8900 -1.8896 -0.3950 -0.3942 -0.3207 -0.3207 2.0823 2.0826 8.9736 8.9736 9.1017 9.1018 11.6303 11.6349 11.7431 11.7441 k = 0.3953 0.3723 0.5090 ( 1769 PWs) bands (ev): -25.4503 -25.4503 -13.7677 -13.7677 -9.2762 -9.2729 -9.0318 -9.0287 -8.9877 -8.9870 -1.9038 -1.9035 -0.4022 -0.4014 -0.3347 -0.3347 2.0975 2.0978 8.9956 8.9956 9.1220 9.1221 11.6568 11.6619 11.7440 11.7450 k = 0.4041 0.3806 0.5090 ( 1767 PWs) bands (ev): -25.4497 -25.4497 -13.7657 -13.7656 -9.2769 -9.2739 -9.0320 -9.0293 -8.9907 -8.9901 -1.9168 -1.9165 -0.4090 -0.4083 -0.3477 -0.3476 2.1116 2.1119 9.0162 9.0163 9.1416 9.1417 11.6844 11.6898 11.7446 11.7456 k = 0.4129 0.3889 0.5090 ( 1765 PWs) bands (ev): -25.4491 -25.4491 -13.7638 -13.7637 -9.2774 -9.2747 -9.0321 -9.0297 -8.9935 -8.9928 -1.9289 -1.9286 -0.4155 -0.4148 -0.3596 -0.3595 2.1244 2.1246 9.0354 9.0355 9.1604 9.1604 11.7126 11.7185 11.7453 11.7463 k = 0.4216 0.3971 0.5090 ( 1767 PWs) bands (ev): -25.4485 -25.4485 -13.7621 -13.7620 -9.2779 -9.2756 -9.0320 -9.0300 -8.9960 -8.9954 -1.9400 -1.9398 -0.4215 -0.4209 -0.3704 -0.3704 2.1358 2.1360 9.0530 9.0530 9.1782 9.1782 11.7396 11.7438 11.7493 11.7503 k = 0.4304 0.4054 0.5090 ( 1773 PWs) bands (ev): -25.4481 -25.4481 -13.7606 -13.7605 -9.2784 -9.2764 -9.0319 -9.0303 -8.9983 -8.9976 -1.9500 -1.9498 -0.4271 -0.4266 -0.3801 -0.3801 2.1458 2.1460 9.0688 9.0689 9.1948 9.1948 11.7464 11.7465 11.7730 11.7788 k = 0.4392 0.4137 0.5090 ( 1767 PWs) bands (ev): -25.4476 -25.4476 -13.7592 -13.7592 -9.2787 -9.2770 -9.0317 -9.0304 -9.0002 -8.9996 -1.9588 -1.9586 -0.4321 -0.4317 -0.3887 -0.3887 2.1543 2.1544 9.0830 9.0830 9.2103 9.2104 11.7479 11.7482 11.8027 11.8090 k = 0.4480 0.4220 0.5090 ( 1770 PWs) bands (ev): -25.4473 -25.4473 -13.7581 -13.7581 -9.2789 -9.2777 -9.0315 -9.0305 -9.0018 -9.0013 -1.9663 -1.9662 -0.4366 -0.4362 -0.3962 -0.3961 2.1612 2.1613 9.0952 9.0952 9.2245 9.2245 11.7498 11.7501 11.8327 11.8394 k = 0.4568 0.4302 0.5090 ( 1774 PWs) bands (ev): -25.4470 -25.4470 -13.7572 -13.7572 -9.2791 -9.2782 -9.0312 -9.0306 -9.0032 -9.0028 -1.9725 -1.9725 -0.4405 -0.4401 -0.4025 -0.4025 2.1665 2.1666 9.1054 9.1054 9.2373 9.2374 11.7523 11.7526 11.8626 11.8696 k = 0.4656 0.4385 0.5090 ( 1771 PWs) bands (ev): -25.4468 -25.4468 -13.7564 -13.7564 -9.2791 -9.2787 -9.0309 -9.0306 -9.0042 -9.0040 -1.9775 -1.9774 -0.4437 -0.4434 -0.4077 -0.4076 2.1702 2.1702 9.1136 9.1136 9.2487 9.2489 11.7554 11.7557 11.8921 11.8994 k = 0.4743 0.4468 0.5090 ( 1768 PWs) bands (ev): -25.4466 -25.4466 -13.7559 -13.7559 -9.2791 -9.2790 -9.0306 -9.0305 -9.0050 -9.0049 -1.9811 -1.9810 -0.4462 -0.4459 -0.4117 -0.4116 2.1722 2.1722 9.1198 9.1199 9.2587 9.2589 11.7592 11.7594 11.9207 11.9283 k = 0.5000 0.4709-0.0531 ( 1776 PWs) bands (ev): -25.4690 -25.4690 -13.8221 -13.8221 -9.2947 -9.2947 -9.0917 -9.0917 -8.8113 -8.8113 -1.5106 -1.5106 -0.2982 -0.2982 0.4594 0.4594 1.4699 1.4699 7.3767 7.3767 9.3910 9.3910 10.7055 10.7055 11.4576 11.4576 k = 0.5067 0.4638-0.0531 ( 1776 PWs) bands (ev): -25.4690 -25.4690 -13.8222 -13.8222 -9.2955 -9.2936 -9.0926 -9.0905 -8.8114 -8.8111 -1.5104 -1.5103 -0.2985 -0.2983 0.4593 0.4594 1.4699 1.4699 7.3774 7.3776 9.3912 9.3912 10.7060 10.7061 11.4578 11.4578 k = 0.5134 0.4567-0.0531 ( 1782 PWs) bands (ev): -25.4691 -25.4691 -13.8225 -13.8224 -9.2960 -9.2922 -9.0932 -9.0890 -8.8116 -8.8110 -1.5097 -1.5097 -0.2993 -0.2990 0.4592 0.4593 1.4699 1.4700 7.3797 7.3799 9.3916 9.3918 10.7076 10.7078 11.4584 11.4586 k = 0.5202 0.4495-0.0531 ( 1784 PWs) bands (ev): -25.4692 -25.4692 -13.8229 -13.8229 -9.2963 -9.2905 -9.0935 -9.0871 -8.8118 -8.8109 -1.5086 -1.5085 -0.3006 -0.3002 0.4589 0.4591 1.4699 1.4700 7.3835 7.3839 9.3925 9.3928 10.7104 10.7106 11.4596 11.4597 k = 0.5269 0.4424-0.0531 ( 1782 PWs) bands (ev): -25.4693 -25.4693 -13.8235 -13.8235 -9.2962 -9.2885 -9.0934 -9.0849 -8.8121 -8.8108 -1.5070 -1.5069 -0.3024 -0.3018 0.4585 0.4589 1.4700 1.4702 7.3888 7.3893 9.3938 9.3941 10.7143 10.7146 11.4612 11.4614 k = 0.4731-0.5023-0.0000 ( 1782 PWs) bands (ev): -25.4693 -25.4693 -13.8235 -13.8235 -9.2962 -9.2885 -9.0934 -9.0849 -8.8121 -8.8108 -1.5070 -1.5069 -0.3024 -0.3018 0.4585 0.4589 1.4700 1.4702 7.3888 7.3893 9.3938 9.3941 10.7143 10.7146 11.4612 11.4614 k = 0.4650-0.4936-0.0000 ( 1784 PWs) bands (ev): -25.4695 -25.4695 -13.8245 -13.8244 -9.2957 -9.2858 -9.0928 -9.0819 -8.8123 -8.8107 -1.5044 -1.5043 -0.3052 -0.3044 0.4580 0.4584 1.4701 1.4703 7.3972 7.3979 9.3955 9.3959 10.7206 10.7210 11.4637 11.4640 k = 0.4568-0.4850 0.0000 ( 1784 PWs) bands (ev): -25.4698 -25.4698 -13.8258 -13.8257 -9.2948 -9.2827 -9.0918 -9.0784 -8.8126 -8.8106 -1.5012 -1.5011 -0.3085 -0.3076 0.4573 0.4578 1.4703 1.4705 7.4077 7.4085 9.3975 9.3980 10.7284 10.7289 11.4668 11.4672 k = 0.4486-0.4763-0.0000 ( 1784 PWs) bands (ev): -25.4701 -25.4701 -13.8272 -13.8271 -9.2935 -9.2792 -9.0903 -9.0745 -8.8130 -8.8105 -1.4973 -1.4972 -0.3125 -0.3114 0.4565 0.4572 1.4704 1.4706 7.4200 7.4211 9.3996 9.4002 10.7379 10.7384 11.4705 11.4709 k = 0.4405-0.4677-0.0000 ( 1782 PWs) bands (ev): -25.4704 -25.4704 -13.8289 -13.8288 -9.2918 -9.2754 -9.0883 -9.0701 -8.8133 -8.8105 -1.4928 -1.4927 -0.3170 -0.3157 0.4557 0.4564 1.4705 1.4708 7.4342 7.4354 9.4014 9.4021 10.7488 10.7494 11.4748 11.4752 k = 0.4323-0.4590-0.0000 ( 1784 PWs) bands (ev): -25.4709 -25.4709 -13.8308 -13.8307 -9.2897 -9.2712 -9.0859 -9.0654 -8.8137 -8.8105 -1.4876 -1.4875 -0.3220 -0.3205 0.4547 0.4555 1.4705 1.4709 7.4499 7.4512 9.4028 9.4036 10.7613 10.7619 11.4794 11.4799 k = 0.4242-0.4503 0.0000 ( 1780 PWs) bands (ev): -25.4713 -25.4713 -13.8329 -13.8328 -9.2871 -9.2667 -9.0830 -9.0604 -8.8141 -8.8105 -1.4818 -1.4816 -0.3273 -0.3257 0.4538 0.4547 1.4705 1.4709 7.4670 7.4685 9.4034 9.4043 10.7752 10.7759 11.4843 11.4849 k = 0.4160-0.4417 0.0000 ( 1780 PWs) bands (ev): -25.4718 -25.4718 -13.8353 -13.8351 -9.2842 -9.2620 -9.0796 -9.0549 -8.8145 -8.8105 -1.4753 -1.4752 -0.3329 -0.3312 0.4527 0.4537 1.4703 1.4708 7.4853 7.4869 9.4028 9.4038 10.7905 10.7912 11.4895 11.4901 k = 0.4079-0.4330-0.0000 ( 1776 PWs) bands (ev): -25.4724 -25.4724 -13.8377 -13.8375 -9.2810 -9.2570 -9.0759 -9.0492 -8.8149 -8.8105 -1.4682 -1.4681 -0.3387 -0.3368 0.4517 0.4527 1.4701 1.4705 7.5045 7.5062 9.4008 9.4018 10.8071 10.8080 11.4947 11.4953 k = 0.3997-0.4244-0.0000 ( 1780 PWs) bands (ev): -25.4730 -25.4730 -13.8404 -13.8402 -9.2774 -9.2518 -9.0717 -9.0432 -8.8153 -8.8106 -1.4606 -1.4604 -0.3446 -0.3426 0.4506 0.4518 1.4696 1.4701 7.5243 7.5261 9.3968 9.3979 10.8251 10.8260 11.4999 11.5005 k = 0.3915-0.4157 0.0000 ( 1780 PWs) bands (ev): -25.4736 -25.4736 -13.8432 -13.8430 -9.2735 -9.2463 -9.0672 -9.0368 -8.8158 -8.8107 -1.4523 -1.4521 -0.3506 -0.3485 0.4496 0.4508 1.4689 1.4694 7.5445 7.5464 9.3904 9.3917 10.8443 10.8453 11.5048 11.5054 k = 0.3834-0.4070 0.0000 ( 1778 PWs) bands (ev): -25.4743 -25.4743 -13.8461 -13.8459 -9.2693 -9.2407 -9.0623 -9.0303 -8.8162 -8.8108 -1.4434 -1.4432 -0.3564 -0.3543 0.4486 0.4499 1.4679 1.4685 7.5648 7.5668 9.3813 9.3827 10.8648 10.8659 11.5092 11.5099 k = 0.3752-0.3984-0.0000 ( 1778 PWs) bands (ev): -25.4751 -25.4751 -13.8491 -13.8489 -9.2648 -9.2350 -9.0571 -9.0235 -8.8167 -8.8109 -1.4339 -1.4337 -0.3621 -0.3598 0.4477 0.4490 1.4667 1.4673 7.5850 7.5871 9.3691 9.3705 10.8866 10.8877 11.5131 11.5139 k = 0.3671-0.3897-0.0000 ( 1774 PWs) bands (ev): -25.4758 -25.4758 -13.8522 -13.8520 -9.2601 -9.2291 -9.0515 -9.0165 -8.8171 -8.8110 -1.4239 -1.4237 -0.3675 -0.3651 0.4468 0.4482 1.4651 1.4657 7.6047 7.6068 9.3533 9.3547 10.9096 10.9108 11.5163 11.5171 k = 0.3589-0.3811 0.0000 ( 1774 PWs) bands (ev): -25.4767 -25.4767 -13.8554 -13.8552 -9.2551 -9.2231 -9.0456 -9.0094 -8.8176 -8.8111 -1.4134 -1.4131 -0.3725 -0.3701 0.4461 0.4476 1.4631 1.4637 7.6236 7.6258 9.3335 9.3351 10.9337 10.9351 11.5186 11.5196 k = 0.3508-0.3724 0.0000 ( 1782 PWs) bands (ev): -25.4776 -25.4775 -13.8587 -13.8585 -9.2500 -9.2171 -9.0396 -9.0022 -8.8181 -8.8113 -1.4023 -1.4020 -0.3771 -0.3747 0.4455 0.4471 1.4606 1.4613 7.6414 7.6436 9.3095 9.3111 10.9590 10.9605 11.5201 11.5211 k = 0.3426-0.3637-0.0000 ( 1782 PWs) bands (ev): -25.4784 -25.4784 -13.8620 -13.8618 -9.2446 -9.2110 -9.0332 -8.9949 -8.8186 -8.8114 -1.3907 -1.3905 -0.3811 -0.3786 0.4451 0.4467 1.4577 1.4584 7.6579 7.6602 9.2812 9.2828 10.9855 10.9871 11.5205 11.5217 k = 0.3344-0.3551-0.0000 ( 1780 PWs) bands (ev): -25.4794 -25.4794 -13.8654 -13.8651 -9.2391 -9.2048 -9.0267 -8.9875 -8.8190 -8.8116 -1.3787 -1.3784 -0.3845 -0.3820 0.4449 0.4465 1.4542 1.4550 7.6728 7.6751 9.2484 9.2500 11.0129 11.0147 11.5199 11.5213 k = 0.3263-0.3464 0.0000 ( 1784 PWs) bands (ev): -25.4803 -25.4803 -13.8687 -13.8684 -9.2334 -9.1987 -9.0200 -8.9801 -8.8195 -8.8117 -1.3662 -1.3659 -0.3871 -0.3846 0.4449 0.4465 1.4501 1.4509 7.6859 7.6882 9.2110 9.2126 11.0414 11.0434 11.5181 11.5197 k = 0.3181-0.3378 0.0000 ( 1784 PWs) bands (ev): -25.4813 -25.4813 -13.8721 -13.8718 -9.2277 -9.1926 -9.0132 -8.9726 -8.8199 -8.8119 -1.3533 -1.3529 -0.3888 -0.3863 0.4450 0.4467 1.4454 1.4462 7.6969 7.6992 9.1692 9.1708 11.0706 11.0728 11.5150 11.5167 k = 0.3100-0.3291-0.0000 ( 1788 PWs) bands (ev): -25.4824 -25.4824 -13.8754 -13.8751 -9.2219 -9.1865 -9.0062 -8.9652 -8.8204 -8.8120 -1.3399 -1.3396 -0.3896 -0.3871 0.4454 0.4472 1.4400 1.4408 7.7056 7.7078 9.1231 9.1246 11.1003 11.1028 11.5104 11.5123 k = 0.3018-0.3204-0.0000 ( 1788 PWs) bands (ev): -25.4834 -25.4834 -13.8787 -13.8784 -9.2160 -9.1806 -8.9991 -8.9578 -8.8208 -8.8122 -1.3262 -1.3259 -0.3894 -0.3869 0.4461 0.4479 1.4338 1.4347 7.7118 7.7141 9.0729 9.0745 11.1304 11.1331 11.5040 11.5061 k = 0.2937-0.3118-0.0000 ( 1792 PWs) bands (ev): -25.4845 -25.4845 -13.8819 -13.8816 -9.2101 -9.1747 -8.9920 -8.9505 -8.8212 -8.8123 -1.3122 -1.3118 -0.3882 -0.3856 0.4470 0.4489 1.4268 1.4277 7.7156 7.7178 9.0190 9.0205 11.1601 11.1633 11.4957 11.4980 k = 0.2855-0.3031-0.0000 ( 1794 PWs) bands (ev): -25.4856 -25.4856 -13.8851 -13.8848 -9.2041 -9.1689 -8.9849 -8.9433 -8.8216 -8.8125 -1.2978 -1.2974 -0.3857 -0.3832 0.4482 0.4501 1.4190 1.4199 7.7166 7.7188 8.9617 8.9631 11.1889 11.1925 11.4855 11.4880 k = 0.2773-0.2945-0.0000 ( 1790 PWs) bands (ev): -25.4866 -25.4866 -13.8881 -13.8879 -9.1982 -9.1632 -8.9777 -8.9362 -8.8219 -8.8125 -1.2831 -1.2827 -0.3820 -0.3795 0.4497 0.4517 1.4104 1.4113 7.7149 7.7170 8.9014 8.9028 11.2156 11.2197 11.4740 11.4767 k = 0.2692-0.2858-0.0000 ( 1790 PWs) bands (ev): -25.4877 -25.4877 -13.8912 -13.8909 -9.1923 -9.1577 -8.9706 -8.9292 -8.8222 -8.8126 -1.2682 -1.2678 -0.3771 -0.3746 0.4516 0.4536 1.4007 1.4017 7.7105 7.7126 8.8385 8.8398 11.2383 11.2430 11.4624 11.4655 k = 0.2610-0.2771-0.0000 ( 1794 PWs) bands (ev): -25.4889 -25.4889 -13.8941 -13.8938 -9.1865 -9.1524 -8.9635 -8.9224 -8.8224 -8.8127 -1.2531 -1.2527 -0.3709 -0.3685 0.4537 0.4557 1.3902 1.3911 7.7034 7.7053 8.7733 8.7745 11.2541 11.2594 11.4535 11.4568 k = 0.2529-0.2685-0.0000 ( 1790 PWs) bands (ev): -25.4900 -25.4900 -13.8969 -13.8966 -9.1808 -9.1472 -8.9564 -8.9158 -8.8227 -8.8128 -1.2378 -1.2374 -0.3632 -0.3609 0.4561 0.4582 1.3786 1.3796 7.6936 7.6955 8.7064 8.7075 11.2595 11.2651 11.4508 11.4542 k = 0.2447-0.2598-0.0000 ( 1792 PWs) bands (ev): -25.4911 -25.4911 -13.8996 -13.8993 -9.1752 -9.1423 -8.9494 -8.9094 -8.8229 -8.8128 -1.2224 -1.2219 -0.3542 -0.3519 0.4588 0.4609 1.3659 1.3670 7.6813 7.6831 8.6379 8.6390 11.2523 11.2577 11.4569 11.4601 k = 0.2366-0.2512-0.0000 ( 1790 PWs) bands (ev): -25.4923 -25.4923 -13.9022 -13.9019 -9.1697 -9.1375 -8.9425 -8.9032 -8.8230 -8.8128 -1.2068 -1.2064 -0.3437 -0.3415 0.4618 0.4640 1.3522 1.3533 7.6665 7.6682 8.5685 8.5696 11.2335 11.2385 11.4707 11.4736 k = 0.2284-0.2425 0.0000 ( 1788 PWs) bands (ev): -25.4934 -25.4934 -13.9046 -13.9043 -9.1643 -9.1330 -8.9357 -8.8972 -8.8231 -8.8128 -1.1913 -1.1908 -0.3318 -0.3296 0.4651 0.4673 1.3374 1.3385 7.6495 7.6511 8.4983 8.4994 11.2062 11.2108 11.4890 11.4917 k = 0.2202-0.2338-0.0000 ( 1788 PWs) bands (ev): -25.4945 -25.4945 -13.9069 -13.9067 -9.1591 -9.1287 -8.9291 -8.8914 -8.8232 -8.8128 -1.1757 -1.1752 -0.3183 -0.3163 0.4687 0.4709 1.3215 1.3226 7.6304 7.6319 8.4278 8.4289 11.1733 11.1776 11.5091 11.5119 k = 0.2121-0.2252-0.0000 ( 1790 PWs) bands (ev): -25.4956 -25.4956 -13.9091 -13.9089 -9.1541 -9.1246 -8.9226 -8.8859 -8.8232 -8.8127 -1.1601 -1.1596 -0.3034 -0.3015 0.4726 0.4748 1.3044 1.3056 7.6094 7.6108 8.3572 8.3584 11.1368 11.1408 11.5293 11.5322 k = 0.2039-0.2165-0.0000 ( 1790 PWs) bands (ev): -25.4968 -25.4968 -13.9112 -13.9110 -9.1493 -9.1208 -8.9163 -8.8806 -8.8231 -8.8126 -1.1446 -1.1441 -0.2871 -0.2851 0.4767 0.4790 1.2862 1.2874 7.5868 7.5882 8.2869 8.2881 11.0980 11.1017 11.5485 11.5516 k = 0.1958-0.2078 0.0000 ( 1793 PWs) bands (ev): -25.4979 -25.4979 -13.9132 -13.9129 -9.1446 -9.1172 -8.9102 -8.8757 -8.8230 -8.8124 -1.1292 -1.1287 -0.2692 -0.2674 0.4810 0.4833 1.2668 1.2680 7.5628 7.5641 8.2172 8.2184 11.0578 11.0613 11.5661 11.5695 k = 0.1876-0.1992-0.0000 ( 1789 PWs) bands (ev): -25.4989 -25.4989 -13.9150 -13.9147 -9.1402 -9.1139 -8.9042 -8.8710 -8.8228 -8.8122 -1.1140 -1.1134 -0.2498 -0.2481 0.4855 0.4879 1.2462 1.2475 7.5377 7.5388 8.1483 8.1496 11.0168 11.0201 11.5818 11.5855 k = 0.1795-0.1905-0.0000 ( 1789 PWs) bands (ev): -25.5000 -25.5000 -13.9167 -13.9164 -9.1360 -9.1108 -8.8985 -8.8666 -8.8225 -8.8119 -1.0990 -1.0984 -0.2290 -0.2274 0.4902 0.4926 1.2245 1.2257 7.5117 7.5127 8.0804 8.0817 10.9754 10.9785 11.5954 11.5993 k = 0.1713-0.1819-0.0000 ( 1785 PWs) bands (ev): -25.5010 -25.5010 -13.9182 -13.9180 -9.1319 -9.1080 -8.8930 -8.8626 -8.8221 -8.8115 -1.0842 -1.0836 -0.2068 -0.2052 0.4951 0.4975 1.2015 1.2028 7.4850 7.4859 8.0138 8.0152 10.9340 10.9369 11.6069 11.6111 k = 0.1631-0.1732 0.0000 ( 1787 PWs) bands (ev): -25.5020 -25.5020 -13.9197 -13.9194 -9.1282 -9.1054 -8.8877 -8.8589 -8.8216 -8.8111 -1.0697 -1.0691 -0.1832 -0.1816 0.5001 0.5025 1.1774 1.1788 7.4579 7.4588 7.9488 7.9502 10.8928 10.8957 11.6163 11.6207 k = 0.1550-0.1645-0.0000 ( 1793 PWs) bands (ev): -25.5031 -25.5031 -13.9210 -13.9208 -9.1246 -9.1031 -8.8828 -8.8556 -8.8209 -8.8106 -1.0555 -1.0549 -0.1582 -0.1567 0.5051 0.5076 1.1522 1.1535 7.4307 7.4315 7.8855 7.8869 10.8522 10.8549 11.6238 11.6284 k = 0.1468-0.1559-0.0000 ( 1791 PWs) bands (ev): -25.5040 -25.5040 -13.9222 -13.9220 -9.1213 -9.1009 -8.8781 -8.8526 -8.8201 -8.8100 -1.0418 -1.0412 -0.1319 -0.1304 0.5102 0.5128 1.1258 1.1272 7.4035 7.4043 7.8241 7.8255 10.8124 10.8150 11.6295 11.6344 k = 0.1387-0.1472-0.0000 ( 1789 PWs) bands (ev): -25.5049 -25.5049 -13.9233 -13.9231 -9.1182 -9.0990 -8.8737 -8.8500 -8.8192 -8.8093 -1.0284 -1.0278 -0.1043 -0.1029 0.5154 0.5179 1.0983 1.0997 7.3767 7.3775 7.7649 7.7663 10.7736 10.7760 11.6336 11.6387 k = 0.1305-0.1386-0.0000 ( 1789 PWs) bands (ev): -25.5058 -25.5058 -13.9242 -13.9241 -9.1153 -9.0973 -8.8696 -8.8479 -8.8181 -8.8084 -1.0156 -1.0150 -0.0754 -0.0741 0.5205 0.5231 1.0697 1.0712 7.3504 7.3512 7.7079 7.7093 10.7358 10.7382 11.6363 11.6416 k = 0.1224-0.1299-0.0000 ( 1791 PWs) bands (ev): -25.5067 -25.5067 -13.9251 -13.9249 -9.1126 -9.0959 -8.8659 -8.8461 -8.8168 -8.8075 -1.0032 -1.0026 -0.0455 -0.0441 0.5256 0.5282 1.0401 1.0416 7.3248 7.3257 7.6534 7.6547 10.6995 10.7017 11.6378 11.6432 k = 0.1142-0.1212-0.0000 ( 1787 PWs) bands (ev): -25.5074 -25.5074 -13.9259 -13.9257 -9.1101 -9.0946 -8.8626 -8.8446 -8.8154 -8.8064 -0.9914 -0.9908 -0.0144 -0.0130 0.5305 0.5332 1.0095 1.0110 7.3002 7.3011 7.6014 7.6027 10.6646 10.6667 11.6383 11.6438 k = 0.1060-0.1126-0.0000 ( 1789 PWs) bands (ev): -25.5082 -25.5082 -13.9266 -13.9264 -9.1078 -9.0935 -8.8596 -8.8435 -8.8139 -8.8053 -0.9802 -0.9796 0.0178 0.0191 0.5353 0.5381 0.9779 0.9795 7.2767 7.2777 7.5522 7.5535 10.6314 10.6334 11.6379 11.6434 k = 0.0979-0.1039 0.0000 ( 1791 PWs) bands (ev): -25.5089 -25.5089 -13.9272 -13.9271 -9.1057 -9.0925 -8.8569 -8.8427 -8.8123 -8.8042 -0.9697 -0.9691 0.0509 0.0522 0.5400 0.5428 0.9453 0.9470 7.2544 7.2555 7.5059 7.5071 10.6000 10.6019 11.6369 11.6424 k = 0.0897-0.0953-0.0000 ( 1795 PWs) bands (ev): -25.5096 -25.5096 -13.9278 -13.9276 -9.1037 -9.0918 -8.8546 -8.8420 -8.8106 -8.8030 -0.9598 -0.9593 0.0849 0.0862 0.5443 0.5473 0.9120 0.9137 7.2337 7.2348 7.4626 7.4638 10.5706 10.5723 11.6353 11.6407 k = 0.0816-0.0866-0.0000 ( 1795 PWs) bands (ev): -25.5102 -25.5102 -13.9282 -13.9281 -9.1020 -9.0911 -8.8525 -8.8416 -8.8089 -8.8018 -0.9506 -0.9502 0.1197 0.1211 0.5484 0.5515 0.8778 0.8796 7.2145 7.2157 7.4224 7.4236 10.5433 10.5449 11.6333 11.6386 k = 0.0734-0.0779-0.0000 ( 1795 PWs) bands (ev): -25.5108 -25.5108 -13.9286 -13.9285 -9.1003 -9.0907 -8.8508 -8.8413 -8.8072 -8.8007 -0.9422 -0.9418 0.1553 0.1567 0.5522 0.5554 0.8429 0.8449 7.1970 7.1983 7.3854 7.3866 10.5183 10.5197 11.6311 11.6361 k = 0.0653-0.0693-0.0000 ( 1797 PWs) bands (ev): -25.5113 -25.5113 -13.9290 -13.9289 -9.0989 -9.0903 -8.8493 -8.8412 -8.8056 -8.7996 -0.9346 -0.9342 0.1915 0.1930 0.5555 0.5590 0.8073 0.8095 7.1814 7.1827 7.3518 7.3529 10.4955 10.4968 11.6287 11.6334 k = 0.0571-0.0606-0.0000 ( 1793 PWs) bands (ev): -25.5117 -25.5117 -13.9292 -13.9291 -9.0975 -9.0901 -8.8480 -8.8412 -8.8040 -8.7987 -0.9278 -0.9275 0.2284 0.2299 0.5583 0.5622 0.7712 0.7736 7.1676 7.1690 7.3217 7.3228 10.4752 10.4763 11.6263 11.6306 k = 0.0489-0.0520-0.0000 ( 1801 PWs) bands (ev): -25.5122 -25.5122 -13.9295 -13.9294 -9.0964 -9.0900 -8.8470 -8.8413 -8.8025 -8.7979 -0.9219 -0.9216 0.2656 0.2673 0.5604 0.5648 0.7347 0.7375 7.1559 7.1571 7.2951 7.2961 10.4574 10.4584 11.6240 11.6279 k = 0.0408-0.0433-0.0000 ( 1801 PWs) bands (ev): -25.5125 -25.5125 -13.9297 -13.9296 -9.0953 -9.0900 -8.8460 -8.8414 -8.8011 -8.7972 -0.9168 -0.9165 0.3033 0.3051 0.5617 0.5668 0.6980 0.7014 7.1461 7.1473 7.2722 7.2732 10.4423 10.4431 11.6220 11.6253 k = 0.0326-0.0346-0.0000 ( 1801 PWs) bands (ev): -25.5128 -25.5128 -13.9298 -13.9298 -9.0943 -9.0901 -8.8452 -8.8416 -8.7999 -8.7967 -0.9126 -0.9124 0.3412 0.3432 0.5613 0.5677 0.6618 0.6661 7.1382 7.1393 7.2532 7.2541 10.4298 10.4304 11.6202 11.6229 k = 0.0245-0.0260-0.0000 ( 1799 PWs) bands (ev): -25.5130 -25.5130 -13.9300 -13.9299 -9.0934 -9.0903 -8.8445 -8.8418 -8.7988 -8.7964 -0.9093 -0.9092 0.3792 0.3815 0.5578 0.5660 0.6274 0.6334 7.1324 7.1333 7.2381 7.2389 10.4201 10.4205 11.6189 11.6209 k = 0.0163-0.0173-0.0000 ( 1797 PWs) bands (ev): -25.5131 -25.5131 -13.9300 -13.9300 -9.0927 -9.0905 -8.8439 -8.8421 -8.7979 -8.7963 -0.9069 -0.9068 0.4169 0.4197 0.5466 0.5562 0.6009 0.6077 7.1283 7.1290 7.2273 7.2278 10.4131 10.4134 11.6179 11.6193 k = 0.0082-0.0087-0.0000 ( 1795 PWs) bands (ev): -25.5132 -25.5132 -13.9301 -13.9300 -9.0920 -9.0909 -8.8434 -8.8425 -8.7972 -8.7964 -0.9055 -0.9055 0.4541 0.4576 0.5233 0.5304 0.5904 0.5941 7.1261 7.1264 7.2208 7.2211 10.4089 10.4091 11.6175 11.6182 k = 0.0000 0.0000 0.0000 ( 1795 PWs) bands (ev): -25.5132 -25.5132 -13.9301 -13.9301 -9.0914 -9.0914 -8.8429 -8.8429 -8.7967 -8.7967 -0.9050 -0.9050 0.4868 0.4868 0.4989 0.4989 0.5895 0.5895 7.1254 7.1254 7.2187 7.2187 10.4076 10.4076 11.6176 11.6176 k = 0.0000 0.0000 0.0000 ( 1795 PWs) bands (ev): -25.5132 -25.5132 -13.9301 -13.9301 -9.0914 -9.0914 -8.8429 -8.8429 -8.7967 -8.7967 -0.9050 -0.9050 0.4868 0.4868 0.4989 0.4989 0.5895 0.5895 7.1254 7.1254 7.2187 7.2187 10.4076 10.4076 11.6176 11.6176 k = 0.0119-0.0007-0.0006 ( 1794 PWs) bands (ev): -25.5132 -25.5132 -13.9300 -13.9300 -9.0918 -9.0911 -8.8433 -8.8426 -8.7971 -8.7965 -0.9060 -0.9060 0.4631 0.4667 0.5137 0.5198 0.5927 0.5951 7.1265 7.1268 7.2208 7.2210 10.4079 10.4081 11.6174 11.6179 k = 0.0238-0.0014-0.0013 ( 1796 PWs) bands (ev): -25.5131 -25.5131 -13.9300 -13.9300 -9.0924 -9.0909 -8.8438 -8.8425 -8.7976 -8.7965 -0.9090 -0.9090 0.4346 0.4376 0.5293 0.5359 0.6059 0.6097 7.1300 7.1305 7.2272 7.2276 10.4090 10.4093 11.6172 11.6182 k = 0.0357-0.0021-0.0019 ( 1800 PWs) bands (ev): -25.5130 -25.5130 -13.9298 -13.9298 -9.0931 -9.0908 -8.8444 -8.8424 -8.7983 -8.7966 -0.9140 -0.9139 0.4053 0.4077 0.5384 0.5443 0.6285 0.6321 7.1357 7.1364 7.2381 7.2387 10.4109 10.4113 11.6164 11.6179 k = 0.0476-0.0029-0.0025 ( 1806 PWs) bands (ev): -25.5128 -25.5128 -13.9297 -13.9296 -9.0939 -9.0909 -8.8451 -8.8425 -8.7992 -8.7969 -0.9210 -0.9209 0.3759 0.3780 0.5432 0.5481 0.6564 0.6594 7.1435 7.1444 7.2536 7.2544 10.4135 10.4140 11.6140 11.6160 k = 0.0595-0.0036-0.0032 ( 1807 PWs) bands (ev): -25.5125 -25.5125 -13.9294 -13.9294 -9.0949 -9.0911 -8.8460 -8.8428 -8.8001 -8.7973 -0.9299 -0.9297 0.3469 0.3486 0.5458 0.5499 0.6867 0.6893 7.1532 7.1542 7.2738 7.2747 10.4169 10.4175 11.6088 11.6112 k = 0.0714-0.0043-0.0038 ( 1803 PWs) bands (ev): -25.5121 -25.5121 -13.9291 -13.9291 -9.0960 -9.0914 -8.8471 -8.8432 -8.8009 -8.7978 -0.9408 -0.9405 0.3184 0.3200 0.5472 0.5507 0.7182 0.7204 7.1646 7.1657 7.2987 7.2996 10.4209 10.4216 11.5998 11.6023 k = 0.0833-0.0050-0.0044 ( 1802 PWs) bands (ev): -25.5117 -25.5117 -13.9288 -13.9287 -9.0972 -9.0919 -8.8484 -8.8438 -8.8018 -8.7983 -0.9535 -0.9532 0.2907 0.2921 0.5480 0.5510 0.7501 0.7520 7.1777 7.1789 7.3281 7.3291 10.4256 10.4264 11.5865 11.5890 k = 0.0952-0.0057-0.0051 ( 1801 PWs) bands (ev): -25.5113 -25.5113 -13.9284 -13.9283 -9.0985 -9.0926 -8.8499 -8.8446 -8.8026 -8.7988 -0.9680 -0.9677 0.2639 0.2652 0.5484 0.5510 0.7821 0.7839 7.1924 7.1936 7.3620 7.3629 10.4309 10.4318 11.5689 11.5712 k = 0.1071-0.0064-0.0057 ( 1800 PWs) bands (ev): -25.5107 -25.5107 -13.9280 -13.9279 -9.1001 -9.0935 -8.8517 -8.8456 -8.8032 -8.7993 -0.9843 -0.9839 0.2381 0.2393 0.5485 0.5509 0.8141 0.8157 7.2086 7.2098 7.4001 7.4011 10.4367 10.4377 11.5474 11.5495 k = 0.1190-0.0071-0.0063 ( 1803 PWs) bands (ev): -25.5102 -25.5102 -13.9275 -13.9274 -9.1018 -9.0945 -8.8537 -8.8470 -8.8037 -8.7997 -1.0022 -1.0018 0.2134 0.2145 0.5485 0.5506 0.8458 0.8474 7.2263 7.2276 7.4422 7.4431 10.4430 10.4442 11.5223 11.5243 k = 0.1310-0.0078-0.0070 ( 1802 PWs) bands (ev): -25.5096 -25.5096 -13.9270 -13.9269 -9.1036 -9.0958 -8.8559 -8.8486 -8.8039 -8.7999 -1.0218 -1.0214 0.1899 0.1909 0.5484 0.5502 0.8773 0.8788 7.2456 7.2468 7.4880 7.4890 10.4498 10.4510 11.4942 11.4960 k = 0.1429-0.0086-0.0076 ( 1798 PWs) bands (ev): -25.5089 -25.5089 -13.9264 -13.9263 -9.1056 -9.0972 -8.8583 -8.8504 -8.8039 -8.8000 -1.0428 -1.0423 0.1675 0.1685 0.5481 0.5498 0.9083 0.9098 7.2664 7.2676 7.5373 7.5382 10.4570 10.4583 11.4633 11.4650 k = 0.1548-0.0093-0.0082 ( 1798 PWs) bands (ev): -25.5082 -25.5082 -13.9259 -13.9257 -9.1079 -9.0989 -8.8610 -8.8525 -8.8038 -8.7999 -1.0651 -1.0647 0.1464 0.1473 0.5478 0.5493 0.9389 0.9404 7.2887 7.2899 7.5896 7.5906 10.4645 10.4659 11.4300 11.4315 k = 0.1667-0.0100-0.0088 ( 1795 PWs) bands (ev): -25.5075 -25.5075 -13.9252 -13.9251 -9.1103 -9.1009 -8.8637 -8.8547 -8.8034 -8.7996 -1.0887 -1.0882 0.1265 0.1274 0.5474 0.5488 0.9689 0.9704 7.3125 7.3137 7.6448 7.6458 10.4722 10.4737 11.3945 11.3960 k = 0.1786-0.0107-0.0095 ( 1793 PWs) bands (ev): -25.5067 -25.5067 -13.9246 -13.9245 -9.1128 -9.1031 -8.8666 -8.8571 -8.8028 -8.7992 -1.1134 -1.1129 0.1077 0.1086 0.5470 0.5483 0.9984 0.9999 7.3377 7.3388 7.7025 7.7034 10.4802 10.4817 11.3571 11.3585 k = 0.1905-0.0114-0.0101 ( 1791 PWs) bands (ev): -25.5059 -25.5059 -13.9240 -13.9238 -9.1156 -9.1055 -8.8695 -8.8596 -8.8021 -8.7986 -1.1389 -1.1384 0.0902 0.0911 0.5465 0.5477 1.0273 1.0288 7.3642 7.3654 7.7623 7.7632 10.4882 10.4899 11.3180 11.3194 k = 0.2024-0.0121-0.0107 ( 1792 PWs) bands (ev): -25.5051 -25.5051 -13.9233 -13.9232 -9.1186 -9.1082 -8.8724 -8.8622 -8.8012 -8.7980 -1.1653 -1.1647 0.0739 0.0747 0.5460 0.5471 1.0555 1.0570 7.3921 7.3933 7.8238 7.8248 10.4963 10.4979 11.2776 11.2789 k = 0.2143-0.0128-0.0114 ( 1794 PWs) bands (ev): -25.5042 -25.5042 -13.9226 -13.9225 -9.1218 -9.1112 -8.8753 -8.8648 -8.8002 -8.7971 -1.1922 -1.1916 0.0586 0.0595 0.5454 0.5464 1.0830 1.0845 7.4213 7.4224 7.8867 7.8877 10.5042 10.5059 11.2361 11.2375 k = 0.2262-0.0135-0.0120 ( 1793 PWs) bands (ev): -25.5034 -25.5034 -13.9219 -13.9218 -9.1251 -9.1143 -8.8780 -8.8674 -8.7991 -8.7962 -1.2194 -1.2189 0.0445 0.0453 0.5448 0.5457 1.1097 1.1113 7.4517 7.4528 7.9507 7.9517 10.5117 10.5135 11.1939 11.1953 k = 0.2381-0.0143-0.0126 ( 1795 PWs) bands (ev): -25.5025 -25.5025 -13.9212 -13.9211 -9.1286 -9.1178 -8.8807 -8.8700 -8.7979 -8.7952 -1.2470 -1.2464 0.0314 0.0322 0.5442 0.5450 1.1356 1.1372 7.4831 7.4842 8.0153 8.0163 10.5188 10.5205 11.1514 11.1528 k = 0.2500-0.0150-0.0133 ( 1793 PWs) bands (ev): -25.5017 -25.5017 -13.9205 -13.9204 -9.1322 -9.1214 -8.8832 -8.8724 -8.7967 -8.7941 -1.2745 -1.2740 0.0193 0.0200 0.5436 0.5443 1.1607 1.1623 7.5156 7.5167 8.0802 8.0811 10.5250 10.5267 11.1091 11.1105 k = 0.2619-0.0157-0.0139 ( 1794 PWs) bands (ev): -25.5008 -25.5008 -13.9198 -13.9197 -9.1359 -9.1252 -8.8855 -8.8748 -8.7954 -8.7929 -1.3020 -1.3014 0.0081 0.0088 0.5429 0.5436 1.1849 1.1865 7.5490 7.5501 8.1449 8.1459 10.5299 10.5317 11.0675 11.0689 k = 0.2738-0.0164-0.0145 ( 1796 PWs) bands (ev): -25.4999 -25.4999 -13.9191 -13.9190 -9.1398 -9.1292 -8.8876 -8.8771 -8.7940 -8.7917 -1.3292 -1.3286 -0.0022 -0.0015 0.5422 0.5429 1.2083 1.2098 7.5833 7.5843 8.2091 8.2101 10.5332 10.5349 11.0274 11.0288 k = 0.2857-0.0171-0.0152 ( 1798 PWs) bands (ev): -25.4991 -25.4991 -13.9185 -13.9183 -9.1437 -9.1334 -8.8895 -8.8792 -8.7927 -8.7905 -1.3559 -1.3554 -0.0117 -0.0110 0.5416 0.5422 1.2306 1.2321 7.6182 7.6192 8.2724 8.2734 10.5340 10.5356 10.9895 10.9909 k = 0.2976-0.0178-0.0158 ( 1796 PWs) bands (ev): -25.4982 -25.4982 -13.9178 -13.9177 -9.1476 -9.1376 -8.8913 -8.8812 -8.7913 -8.7893 -1.3821 -1.3816 -0.0204 -0.0198 0.5409 0.5415 1.2520 1.2535 7.6536 7.6546 8.3344 8.3354 10.5317 10.5332 10.9549 10.9562 k = 0.3095-0.0185-0.0164 ( 1795 PWs) bands (ev): -25.4974 -25.4974 -13.9171 -13.9170 -9.1515 -9.1418 -8.8928 -8.8831 -8.7900 -8.7881 -1.4075 -1.4070 -0.0284 -0.0278 0.5403 0.5408 1.2723 1.2738 7.6893 7.6904 8.3948 8.3957 10.5254 10.5268 10.9246 10.9258 k = 0.3214-0.0193-0.0171 ( 1794 PWs) bands (ev): -25.4966 -25.4966 -13.9165 -13.9164 -9.1554 -9.1461 -8.8941 -8.8848 -8.7887 -8.7868 -1.4321 -1.4316 -0.0357 -0.0351 0.5397 0.5402 1.2916 1.2930 7.7253 7.7263 8.4531 8.4540 10.5145 10.5157 10.8994 10.9005 k = 0.3333-0.0200-0.0177 ( 1795 PWs) bands (ev): -25.4959 -25.4959 -13.9159 -13.9158 -9.1592 -9.1504 -8.8953 -8.8864 -8.7874 -8.7857 -1.4557 -1.4552 -0.0424 -0.0418 0.5390 0.5395 1.3098 1.3112 7.7612 7.7621 8.5090 8.5099 10.4987 10.4995 10.8798 10.8809 k = 0.3452-0.0207-0.0183 ( 1795 PWs) bands (ev): -25.4951 -25.4951 -13.9154 -13.9152 -9.1629 -9.1546 -8.8962 -8.8879 -8.7861 -8.7845 -1.4781 -1.4777 -0.0484 -0.0479 0.5384 0.5389 1.3269 1.3282 7.7968 7.7977 8.5623 8.5631 10.4780 10.4786 10.8659 10.8669 k = 0.3571-0.0214-0.0190 ( 1798 PWs) bands (ev): -25.4944 -25.4944 -13.9148 -13.9147 -9.1665 -9.1587 -8.8970 -8.8892 -8.7849 -8.7834 -1.4993 -1.4989 -0.0539 -0.0534 0.5379 0.5382 1.3429 1.3441 7.8319 7.8328 8.6124 8.6133 10.4532 10.4537 10.8571 10.8581 k = 0.3690-0.0221-0.0196 ( 1798 PWs) bands (ev): -25.4938 -25.4938 -13.9143 -13.9142 -9.1699 -9.1627 -8.8977 -8.8904 -8.7837 -8.7824 -1.5192 -1.5189 -0.0588 -0.0584 0.5373 0.5376 1.3577 1.3588 7.8662 7.8671 8.6593 8.6601 10.4256 10.4259 10.8526 10.8536 k = 0.3810-0.0228-0.0202 ( 1796 PWs) bands (ev): -25.4931 -25.4931 -13.9138 -13.9137 -9.1731 -9.1665 -8.8982 -8.8915 -8.7826 -8.7814 -1.5377 -1.5374 -0.0632 -0.0628 0.5368 0.5371 1.3712 1.3723 7.8994 7.9002 8.7027 8.7034 10.3962 10.3965 10.8513 10.8523 k = 0.3929-0.0235-0.0209 ( 1796 PWs) bands (ev): -25.4926 -25.4926 -13.9134 -13.9133 -9.1760 -9.1700 -8.8986 -8.8925 -8.7816 -8.7805 -1.5547 -1.5544 -0.0672 -0.0668 0.5363 0.5366 1.3836 1.3846 7.9312 7.9319 8.7422 8.7429 10.3663 10.3667 10.8524 10.8533 k = 0.4048-0.0242-0.0215 ( 1797 PWs) bands (ev): -25.4921 -25.4921 -13.9130 -13.9129 -9.1787 -9.1733 -8.8989 -8.8934 -8.7807 -8.7797 -1.5700 -1.5698 -0.0706 -0.0703 0.5359 0.5361 1.3948 1.3957 7.9611 7.9618 8.7778 8.7785 10.3371 10.3374 10.8550 10.8559 k = 0.4167-0.0250-0.0221 ( 1797 PWs) bands (ev): -25.4916 -25.4916 -13.9126 -13.9126 -9.1811 -9.1764 -8.8990 -8.8942 -8.7799 -8.7790 -1.5838 -1.5835 -0.0736 -0.0733 0.5355 0.5357 1.4046 1.4054 7.9888 7.9894 8.8094 8.8100 10.3093 10.3097 10.8585 10.8593 k = 0.4286-0.0257-0.0228 ( 1797 PWs) bands (ev): -25.4912 -25.4912 -13.9123 -13.9123 -9.1832 -9.1791 -8.8991 -8.8950 -8.7791 -8.7783 -1.5958 -1.5956 -0.0762 -0.0759 0.5351 0.5353 1.4132 1.4139 8.0140 8.0145 8.8367 8.8372 10.2838 10.2841 10.8623 10.8630 k = 0.4405-0.0264-0.0234 ( 1795 PWs) bands (ev): -25.4908 -25.4908 -13.9121 -13.9120 -9.1849 -9.1815 -8.8991 -8.8956 -8.7784 -8.7778 -1.6060 -1.6058 -0.0783 -0.0781 0.5348 0.5350 1.4206 1.4211 8.0361 8.0366 8.8598 8.8602 10.2611 10.2615 10.8661 10.8668 k = 0.4524-0.0271-0.0240 ( 1800 PWs) bands (ev): -25.4906 -25.4906 -13.9118 -13.9118 -9.1863 -9.1836 -8.8990 -8.8962 -8.7779 -8.7774 -1.6145 -1.6143 -0.0801 -0.0799 0.5346 0.5347 1.4265 1.4270 8.0548 8.0552 8.8786 8.8790 10.2420 10.2422 10.8696 10.8701 k = 0.4643-0.0278-0.0247 ( 1799 PWs) bands (ev): -25.4903 -25.4903 -13.9117 -13.9116 -9.1873 -9.1853 -8.8989 -8.8968 -8.7774 -8.7770 -1.6211 -1.6210 -0.0814 -0.0813 0.5344 0.5345 1.4312 1.4316 8.0699 8.0702 8.8932 8.8935 10.2266 10.2268 10.8726 10.8730 k = 0.4762-0.0285-0.0253 ( 1796 PWs) bands (ev): -25.4902 -25.4902 -13.9116 -13.9115 -9.1880 -9.1866 -8.8986 -8.8973 -8.7771 -8.7768 -1.6258 -1.6257 -0.0823 -0.0822 0.5343 0.5343 1.4346 1.4349 8.0809 8.0811 8.9036 8.9038 10.2154 10.2156 10.8748 10.8751 k = 0.4881-0.0292-0.0259 ( 1798 PWs) bands (ev): -25.4901 -25.4901 -13.9115 -13.9115 -9.1882 -9.1875 -8.8984 -8.8977 -8.7768 -8.7767 -1.6286 -1.6286 -0.0829 -0.0829 0.5342 0.5342 1.4367 1.4368 8.0876 8.0877 8.9098 8.9099 10.2087 10.2088 10.8762 10.8764 k = 0.5000-0.0300-0.0265 ( 1798 PWs) bands (ev): -25.4900 -25.4900 -13.9114 -13.9114 -9.1881 -9.1881 -8.8981 -8.8981 -8.7767 -8.7767 -1.6296 -1.6296 -0.0831 -0.0831 0.5342 0.5342 1.4374 1.4374 8.0899 8.0899 8.9119 8.9119 10.2064 10.2064 10.8767 10.8767 k = 0.5000-0.0300 0.4824 ( 1764 PWs) bands (ev): -25.4654 -25.4654 -13.8118 -13.8118 -9.3105 -9.3105 -9.1058 -9.1058 -8.8016 -8.8016 -1.5919 -1.5919 -0.3149 -0.3149 0.4234 0.4234 1.6141 1.6141 7.3296 7.3296 9.4459 9.4459 10.8179 10.8179 10.9847 10.9847 k = 0.4914-0.0294 0.4741 ( 1765 PWs) bands (ev): -25.4654 -25.4654 -13.8119 -13.8119 -9.3108 -9.3097 -9.1061 -9.1050 -8.8017 -8.8016 -1.5920 -1.5920 -0.3144 -0.3144 0.4231 0.4231 1.6142 1.6144 7.3312 7.3312 9.4451 9.4451 10.8155 10.8157 10.9867 10.9869 k = 0.4828-0.0289 0.4658 ( 1769 PWs) bands (ev): -25.4656 -25.4656 -13.8123 -13.8123 -9.3105 -9.3085 -9.1059 -9.1037 -8.8019 -8.8016 -1.5925 -1.5924 -0.3130 -0.3129 0.4223 0.4224 1.6148 1.6151 7.3359 7.3359 9.4425 9.4427 10.8083 10.8088 10.9927 10.9931 k = 0.4741-0.0284 0.4575 ( 1769 PWs) bands (ev): -25.4657 -25.4657 -13.8130 -13.8130 -9.3098 -9.3068 -9.1051 -9.1019 -8.8021 -8.8017 -1.5933 -1.5931 -0.3106 -0.3104 0.4210 0.4211 1.6159 1.6162 7.3437 7.3438 9.4383 9.4385 10.7967 10.7973 11.0028 11.0033 k = 0.4655-0.0279 0.4491 ( 1771 PWs) bands (ev): -25.4660 -25.4660 -13.8139 -13.8139 -9.3086 -9.3046 -9.1039 -9.0996 -8.8023 -8.8018 -1.5943 -1.5941 -0.3072 -0.3070 0.4193 0.4194 1.6173 1.6178 7.3546 7.3547 9.4323 9.4326 10.7806 10.7813 11.0168 11.0173 k = 0.4569-0.0274 0.4408 ( 1774 PWs) bands (ev): -25.4663 -25.4663 -13.8151 -13.8150 -9.3069 -9.3019 -9.1021 -9.0968 -8.8026 -8.8020 -1.5955 -1.5952 -0.3029 -0.3026 0.4170 0.4172 1.6191 1.6196 7.3685 7.3686 9.4246 9.4249 10.7602 10.7610 11.0347 11.0352 k = 0.4483-0.0269 0.4325 ( 1776 PWs) bands (ev): -25.4667 -25.4667 -13.8165 -13.8164 -9.3047 -9.2988 -9.0999 -9.0935 -8.8030 -8.8022 -1.5970 -1.5966 -0.2976 -0.2973 0.4143 0.4145 1.6211 1.6218 7.3854 7.3855 9.4150 9.4153 10.7357 10.7365 11.0563 11.0568 k = 0.4397-0.0263 0.4242 ( 1777 PWs) bands (ev): -25.4671 -25.4671 -13.8182 -13.8181 -9.3021 -9.2953 -9.0971 -9.0898 -8.8034 -8.8024 -1.5985 -1.5981 -0.2914 -0.2910 0.4112 0.4114 1.6234 1.6241 7.4051 7.4052 9.4034 9.4038 10.7073 10.7080 11.0816 11.0820 k = 0.4310-0.0258 0.4159 ( 1778 PWs) bands (ev): -25.4676 -25.4676 -13.8201 -13.8200 -9.2991 -9.2914 -9.0939 -9.0856 -8.8038 -8.8027 -1.6001 -1.5996 -0.2842 -0.2837 0.4076 0.4078 1.6258 1.6266 7.4275 7.4277 9.3898 9.3903 10.6752 10.6759 11.1103 11.1107 k = 0.4224-0.0253 0.4076 ( 1777 PWs) bands (ev): -25.4682 -25.4682 -13.8222 -13.8220 -9.2956 -9.2871 -9.0901 -9.0809 -8.8043 -8.8031 -1.6017 -1.6012 -0.2760 -0.2755 0.4037 0.4040 1.6282 1.6291 7.4526 7.4527 9.3741 9.3747 10.6395 10.6402 11.1423 11.1428 k = 0.4138-0.0248 0.3992 ( 1777 PWs) bands (ev): -25.4688 -25.4688 -13.8245 -13.8243 -9.2918 -9.2825 -9.0859 -9.0759 -8.8048 -8.8035 -1.6032 -1.6027 -0.2670 -0.2664 0.3995 0.3998 1.6305 1.6315 7.4800 7.4801 9.3562 9.3568 10.6007 10.6013 11.1775 11.1779 k = 0.4052-0.0243 0.3909 ( 1775 PWs) bands (ev): -25.4695 -25.4695 -13.8269 -13.8268 -9.2875 -9.2775 -9.0813 -9.0705 -8.8054 -8.8039 -1.6046 -1.6040 -0.2570 -0.2564 0.3950 0.3953 1.6326 1.6338 7.5097 7.5098 9.3359 9.3366 10.5589 10.5596 11.2154 11.2160 k = 0.3966-0.0238 0.3826 ( 1774 PWs) bands (ev): -25.4702 -25.4702 -13.8296 -13.8294 -9.2830 -9.2723 -9.0762 -9.0646 -8.8060 -8.8043 -1.6057 -1.6051 -0.2461 -0.2454 0.3902 0.3905 1.6345 1.6357 7.5413 7.5415 9.3132 9.3139 10.5146 10.5153 11.2559 11.2566 k = 0.3879-0.0232 0.3743 ( 1779 PWs) bands (ev): -25.4710 -25.4710 -13.8324 -13.8322 -9.2781 -9.2669 -9.0708 -9.0585 -8.8066 -8.8048 -1.6066 -1.6060 -0.2343 -0.2336 0.3852 0.3855 1.6359 1.6371 7.5748 7.5750 9.2879 9.2886 10.4681 10.4688 11.2984 11.2993 k = 0.3793-0.0227 0.3660 ( 1780 PWs) bands (ev): -25.4718 -25.4718 -13.8353 -13.8352 -9.2730 -9.2611 -9.0649 -9.0520 -8.8073 -8.8053 -1.6070 -1.6064 -0.2216 -0.2209 0.3801 0.3803 1.6367 1.6381 7.6096 7.6099 9.2600 9.2606 10.4199 10.4206 11.3426 11.3437 k = 0.3707-0.0222 0.3577 ( 1784 PWs) bands (ev): -25.4728 -25.4728 -13.8384 -13.8382 -9.2676 -9.2553 -9.0587 -9.0453 -8.8080 -8.8059 -1.6070 -1.6063 -0.2080 -0.2073 0.3748 0.3750 1.6369 1.6383 7.6457 7.6459 9.2293 9.2300 10.3705 10.3712 11.3877 11.3890 k = 0.3621-0.0217 0.3493 ( 1785 PWs) bands (ev): -25.4737 -25.4737 -13.8416 -13.8414 -9.2620 -9.2492 -9.0521 -9.0382 -8.8087 -8.8064 -1.6064 -1.6057 -0.1936 -0.1929 0.3694 0.3697 1.6362 1.6377 7.6825 7.6828 9.1958 9.1965 10.3203 10.3210 11.4328 11.4343 k = 0.3534-0.0212 0.3410 ( 1784 PWs) bands (ev): -25.4747 -25.4747 -13.8449 -13.8447 -9.2561 -9.2430 -9.0453 -9.0310 -8.8094 -8.8069 -1.6051 -1.6045 -0.1784 -0.1777 0.3640 0.3643 1.6346 1.6361 7.7196 7.7199 9.1595 9.1602 10.2699 10.2706 11.4768 11.4787 k = 0.3448-0.0207 0.3327 ( 1784 PWs) bands (ev): -25.4757 -25.4757 -13.8482 -13.8480 -9.2501 -9.2367 -9.0382 -9.0235 -8.8101 -8.8074 -1.6031 -1.6025 -0.1624 -0.1616 0.3586 0.3589 1.6320 1.6336 7.7565 7.7570 9.1203 9.1210 10.2200 10.2208 11.5183 11.5206 k = 0.3362-0.0201 0.3244 ( 1785 PWs) bands (ev): -25.4768 -25.4768 -13.8517 -13.8514 -9.2440 -9.2303 -9.0308 -9.0159 -8.8108 -8.8080 -1.6003 -1.5997 -0.1457 -0.1448 0.3532 0.3535 1.6282 1.6298 7.7928 7.7933 9.0783 9.0790 10.1713 10.1720 11.5554 11.5581 k = 0.3276-0.0196 0.3161 ( 1784 PWs) bands (ev): -25.4779 -25.4779 -13.8551 -13.8549 -9.2377 -9.2239 -9.0233 -9.0081 -8.8116 -8.8085 -1.5966 -1.5960 -0.1281 -0.1273 0.3480 0.3482 1.6231 1.6247 7.8278 7.8283 9.0335 9.0341 10.1244 10.1252 11.5860 11.5893 k = 0.3190-0.0191 0.3077 ( 1785 PWs) bands (ev): -25.4791 -25.4791 -13.8586 -13.8584 -9.2313 -9.2174 -9.0156 -9.0003 -8.8123 -8.8090 -1.5920 -1.5913 -0.1099 -0.1090 0.3428 0.3431 1.6166 1.6183 7.8607 7.8614 8.9858 8.9865 10.0803 10.0811 11.6078 11.6117 k = 0.3103-0.0186 0.2994 ( 1787 PWs) bands (ev): -25.4802 -25.4802 -13.8621 -13.8619 -9.2249 -9.2110 -9.0078 -8.9924 -8.8130 -8.8094 -1.5863 -1.5857 -0.0909 -0.0901 0.3379 0.3381 1.6087 1.6104 7.8910 7.8918 8.9355 8.9361 10.0398 10.0406 11.6192 11.6237 k = 0.3017-0.0181 0.2911 ( 1787 PWs) bands (ev): -25.4814 -25.4814 -13.8656 -13.8654 -9.2185 -9.2045 -8.9999 -8.9844 -8.8138 -8.8098 -1.5795 -1.5789 -0.0714 -0.0705 0.3331 0.3333 1.5992 1.6008 7.9179 7.9187 8.8825 8.8832 10.0037 10.0045 11.6196 11.6246 k = 0.2931-0.0176 0.2828 ( 1786 PWs) bands (ev): -25.4827 -25.4827 -13.8691 -13.8688 -9.2120 -9.1981 -8.9919 -8.9765 -8.8145 -8.8102 -1.5716 -1.5710 -0.0511 -0.0503 0.3286 0.3288 1.5880 1.5897 7.9405 7.9415 8.8272 8.8279 9.9729 9.9737 11.6098 11.6151 k = 0.2845-0.0170 0.2745 ( 1788 PWs) bands (ev): -25.4839 -25.4839 -13.8725 -13.8723 -9.2056 -9.1918 -8.9839 -8.9686 -8.8151 -8.8105 -1.5625 -1.5619 -0.0304 -0.0295 0.3243 0.3245 1.5751 1.5768 7.9583 7.9594 8.7695 8.7702 9.9482 9.9491 11.5917 11.5971 k = 0.2759-0.0165 0.2662 ( 1790 PWs) bands (ev): -25.4852 -25.4852 -13.8759 -13.8757 -9.1992 -9.1856 -8.9759 -8.9608 -8.8157 -8.8108 -1.5521 -1.5516 -0.0091 -0.0082 0.3204 0.3206 1.5605 1.5622 7.9706 7.9718 8.7098 8.7106 9.9303 9.9312 11.5676 11.5729 k = 0.2672-0.0160 0.2578 ( 1789 PWs) bands (ev): -25.4865 -25.4865 -13.8792 -13.8790 -9.1929 -9.1794 -8.9680 -8.9531 -8.8163 -8.8110 -1.5405 -1.5400 0.0127 0.0135 0.3167 0.3170 1.5440 1.5457 7.9768 7.9782 8.6481 8.6490 9.9198 9.9208 11.5397 11.5448 k = 0.2586-0.0155 0.2495 ( 1792 PWs) bands (ev): -25.4878 -25.4878 -13.8825 -13.8823 -9.1867 -9.1734 -8.9602 -8.9455 -8.8169 -8.8112 -1.5276 -1.5272 0.0349 0.0357 0.3135 0.3137 1.5258 1.5275 7.9768 7.9783 8.5849 8.5858 9.9169 9.9179 11.5097 11.5145 k = 0.2500-0.0150 0.2412 ( 1790 PWs) bands (ev): -25.4891 -25.4891 -13.8857 -13.8855 -9.1805 -9.1675 -8.9525 -8.9381 -8.8173 -8.8113 -1.5134 -1.5130 0.0574 0.0583 0.3106 0.3108 1.5057 1.5074 7.9704 7.9721 8.5202 8.5212 9.9217 9.9228 11.4790 11.4834 k = 0.2414-0.0145 0.2329 ( 1791 PWs) bands (ev): -25.4903 -25.4903 -13.8888 -13.8886 -9.1746 -9.1618 -8.9450 -8.9308 -8.8177 -8.8113 -1.4978 -1.4975 0.0803 0.0811 0.3081 0.3084 1.4837 1.4854 7.9578 7.9596 8.4543 8.4554 9.9340 9.9351 11.4485 11.4526 k = 0.2328-0.0139 0.2246 ( 1790 PWs) bands (ev): -25.4916 -25.4916 -13.8919 -13.8916 -9.1687 -9.1563 -8.9376 -8.9238 -8.8180 -8.8112 -1.4810 -1.4807 0.1034 0.1042 0.3060 0.3064 1.4600 1.4616 7.9394 7.9412 8.3876 8.3887 9.9532 9.9544 11.4189 11.4227 k = 0.2241-0.0134 0.2163 ( 1795 PWs) bands (ev): -25.4929 -25.4929 -13.8948 -13.8946 -9.1631 -9.1509 -8.9305 -8.9170 -8.8183 -8.8111 -1.4628 -1.4626 0.1266 0.1275 0.3044 0.3049 1.4344 1.4360 7.9155 7.9175 8.3202 8.3215 9.9787 9.9799 11.3908 11.3943 k = 0.2155-0.0129 0.2079 ( 1797 PWs) bands (ev): -25.4942 -25.4942 -13.8976 -13.8974 -9.1576 -9.1458 -8.9235 -8.9105 -8.8184 -8.8108 -1.4434 -1.4432 0.1499 0.1509 0.3033 0.3039 1.4071 1.4086 7.8870 7.8891 8.2526 8.2539 10.0096 10.0109 11.3647 11.3679 k = 0.2069-0.0124 0.1996 ( 1800 PWs) bands (ev): -25.4955 -25.4955 -13.9003 -13.9001 -9.1523 -9.1408 -8.9169 -8.9042 -8.8184 -8.8105 -1.4228 -1.4226 0.1732 0.1743 0.3027 0.3035 1.3781 1.3796 7.8545 7.8566 8.1850 8.1863 10.0448 10.0461 11.3410 11.3438 k = 0.1983-0.0119 0.1913 ( 1800 PWs) bands (ev): -25.4967 -25.4967 -13.9029 -13.9027 -9.1473 -9.1361 -8.9104 -8.8983 -8.8183 -8.8102 -1.4009 -1.4008 0.1963 0.1976 0.3026 0.3037 1.3474 1.3489 7.8187 7.8208 8.1176 8.1190 10.0832 10.0845 11.3200 11.3226 k = 0.1897-0.0114 0.1830 ( 1798 PWs) bands (ev): -25.4980 -25.4980 -13.9053 -13.9051 -9.1424 -9.1315 -8.9043 -8.8926 -8.8181 -8.8097 -1.3779 -1.3778 0.2190 0.2206 0.3033 0.3048 1.3153 1.3167 7.7803 7.7825 8.0509 8.0523 10.1236 10.1250 11.3023 11.3046 k = 0.1810-0.0108 0.1747 ( 1800 PWs) bands (ev): -25.4992 -25.4992 -13.9077 -13.9075 -9.1378 -9.1273 -8.8984 -8.8872 -8.8178 -8.8091 -1.3539 -1.3538 0.2410 0.2431 0.3047 0.3069 1.2816 1.2831 7.7400 7.7422 7.9850 7.9865 10.1648 10.1662 11.2881 11.2902 k = 0.1724-0.0103 0.1664 ( 1801 PWs) bands (ev): -25.5003 -25.5003 -13.9099 -13.9097 -9.1334 -9.1233 -8.8929 -8.8822 -8.8173 -8.8085 -1.3289 -1.3288 0.2615 0.2646 0.3075 0.3107 1.2467 1.2481 7.6984 7.7006 7.9203 7.9219 10.2056 10.2070 11.2781 11.2799 k = 0.1638-0.0098 0.1580 ( 1798 PWs) bands (ev): -25.5015 -25.5015 -13.9120 -13.9118 -9.1293 -9.1195 -8.8877 -8.8775 -8.8167 -8.8078 -1.3030 -1.3029 0.2789 0.2836 0.3130 0.3178 1.2105 1.2119 7.6559 7.6582 7.8571 7.8587 10.2448 10.2462 11.2727 11.2743 k = 0.1552-0.0093 0.1497 ( 1797 PWs) bands (ev): -25.5026 -25.5026 -13.9140 -13.9138 -9.1254 -9.1159 -8.8827 -8.8731 -8.8159 -8.8071 -1.2764 -1.2762 0.2915 0.2968 0.3244 0.3299 1.1733 1.1746 7.6132 7.6155 7.7956 7.7973 10.2814 10.2828 11.2722 11.2735 k = 0.1466-0.0088 0.1414 ( 1797 PWs) bands (ev): -25.5036 -25.5036 -13.9158 -13.9156 -9.1218 -9.1127 -8.8782 -8.8691 -8.8150 -8.8063 -1.2491 -1.2489 0.2996 0.3041 0.3418 0.3465 1.1351 1.1363 7.5706 7.5729 7.7362 7.7379 10.3143 10.3157 11.2770 11.2781 k = 0.1379-0.0083 0.1331 ( 1796 PWs) bands (ev): -25.5047 -25.5047 -13.9175 -13.9174 -9.1183 -9.1096 -8.8739 -8.8654 -8.8140 -8.8054 -1.2213 -1.2211 0.3056 0.3093 0.3613 0.3652 1.0961 1.0973 7.5285 7.5308 7.6790 7.6808 10.3429 10.3443 11.2872 11.2881 k = 0.1293-0.0077 0.1248 ( 1794 PWs) bands (ev): -25.5056 -25.5056 -13.9191 -13.9190 -9.1152 -9.1068 -8.8699 -8.8621 -8.8129 -8.8046 -1.1933 -1.1931 0.3111 0.3142 0.3810 0.3844 1.0565 1.0577 7.4872 7.4895 7.6245 7.6262 10.3668 10.3682 11.3027 11.3033 k = 0.1207-0.0072 0.1164 ( 1795 PWs) bands (ev): -25.5066 -25.5066 -13.9206 -13.9205 -9.1122 -9.1043 -8.8663 -8.8590 -8.8117 -8.8037 -1.1651 -1.1649 0.3167 0.3194 0.4002 0.4034 1.0165 1.0177 7.4470 7.4493 7.5727 7.5745 10.3859 10.3872 11.3230 11.3234 k = 0.1121-0.0067 0.1081 ( 1796 PWs) bands (ev): -25.5074 -25.5074 -13.9220 -13.9218 -9.1095 -9.1020 -8.8630 -8.8563 -8.8104 -8.8028 -1.1370 -1.1368 0.3227 0.3252 0.4188 0.4218 0.9763 0.9774 7.4081 7.4104 7.5241 7.5258 10.4003 10.4016 11.3473 11.3477 k = 0.1034-0.0062 0.0998 ( 1799 PWs) bands (ev): -25.5083 -25.5083 -13.9232 -13.9231 -9.1070 -9.1000 -8.8600 -8.8539 -8.8090 -8.8019 -1.1093 -1.1090 0.3292 0.3316 0.4364 0.4394 0.9360 0.9371 7.3708 7.3730 7.4787 7.4804 10.4105 10.4117 11.3748 11.3752 k = 0.0948-0.0057 0.0915 ( 1802 PWs) bands (ev): -25.5091 -25.5091 -13.9244 -13.9243 -9.1047 -9.0982 -8.8573 -8.8518 -8.8076 -8.8011 -1.0821 -1.0819 0.3365 0.3389 0.4530 0.4560 0.8959 0.8970 7.3353 7.3373 7.4368 7.4384 10.4171 10.4182 11.4045 11.4050 k = 0.0862-0.0052 0.0832 ( 1802 PWs) bands (ev): -25.5098 -25.5098 -13.9254 -13.9253 -9.1027 -9.0966 -8.8548 -8.8499 -8.8062 -8.8002 -1.0558 -1.0555 0.3447 0.3470 0.4685 0.4715 0.8562 0.8574 7.3017 7.3036 7.3985 7.4001 10.4206 10.4217 11.4352 11.4359 k = 0.0776-0.0046 0.0749 ( 1802 PWs) bands (ev): -25.5104 -25.5104 -13.9263 -13.9262 -9.1008 -9.0952 -8.8526 -8.8483 -8.8048 -8.7994 -1.0306 -1.0303 0.3539 0.3561 0.4826 0.4857 0.8173 0.8185 7.2704 7.2721 7.3639 7.3654 10.4219 10.4229 11.4659 11.4668 k = 0.0690-0.0041 0.0665 ( 1802 PWs) bands (ev): -25.5110 -25.5110 -13.9271 -13.9270 -9.0991 -9.0941 -8.8507 -8.8469 -8.8035 -8.7987 -1.0068 -1.0066 0.3641 0.3664 0.4953 0.4986 0.7792 0.7806 7.2415 7.2431 7.3331 7.3344 10.4215 10.4224 11.4956 11.4966 k = 0.0603-0.0036 0.0582 ( 1801 PWs) bands (ev): -25.5115 -25.5115 -13.9278 -13.9278 -9.0975 -9.0931 -8.8490 -8.8457 -8.8022 -8.7981 -0.9848 -0.9846 0.3755 0.3778 0.5063 0.5099 0.7424 0.7440 7.2153 7.2167 7.3060 7.3071 10.4199 10.4207 11.5232 11.5244 k = 0.0517-0.0031 0.0499 ( 1804 PWs) bands (ev): -25.5120 -25.5120 -13.9284 -13.9284 -9.0962 -9.0924 -8.8476 -8.8448 -8.8011 -8.7975 -0.9649 -0.9647 0.3881 0.3906 0.5154 0.5195 0.7073 0.7091 7.1921 7.1933 7.2826 7.2836 10.4177 10.4184 11.5481 11.5493 k = 0.0431-0.0026 0.0416 ( 1804 PWs) bands (ev): -25.5124 -25.5124 -13.9290 -13.9289 -9.0950 -9.0918 -8.8463 -8.8440 -8.8000 -8.7971 -0.9474 -0.9472 0.4022 0.4047 0.5223 0.5269 0.6743 0.6765 7.1721 7.1730 7.2629 7.2637 10.4152 10.4157 11.5695 11.5707 k = 0.0345-0.0021 0.0333 ( 1802 PWs) bands (ev): -25.5127 -25.5127 -13.9294 -13.9293 -9.0940 -9.0914 -8.8453 -8.8434 -8.7991 -8.7967 -0.9326 -0.9324 0.4176 0.4203 0.5263 0.5316 0.6444 0.6471 7.1554 7.1562 7.2469 7.2475 10.4127 10.4132 11.5870 11.5882 k = 0.0259-0.0015 0.0250 ( 1796 PWs) bands (ev): -25.5129 -25.5129 -13.9297 -13.9296 -9.0931 -9.0911 -8.8444 -8.8430 -8.7983 -8.7965 -0.9207 -0.9206 0.4344 0.4374 0.5262 0.5322 0.6192 0.6223 7.1424 7.1429 7.2345 7.2350 10.4106 10.4109 11.6005 11.6015 k = 0.0172-0.0010 0.0166 ( 1798 PWs) bands (ev): -25.5131 -25.5131 -13.9299 -13.9299 -9.0924 -9.0911 -8.8437 -8.8428 -8.7976 -8.7964 -0.9121 -0.9120 0.4523 0.4557 0.5203 0.5266 0.6010 0.6040 7.1329 7.1333 7.2257 7.2260 10.4089 10.4092 11.6100 11.6107 k = 0.0086-0.0005 0.0083 ( 1797 PWs) bands (ev): -25.5132 -25.5132 -13.9300 -13.9300 -9.0918 -9.0912 -8.8432 -8.8428 -8.7971 -8.7965 -0.9068 -0.9068 0.4709 0.4747 0.5083 0.5139 0.5916 0.5934 7.1273 7.1274 7.2204 7.2205 10.4079 10.4080 11.6156 11.6160 k = 0.0000 0.0000 0.0000 ( 1795 PWs) bands (ev): -25.5132 -25.5132 -13.9301 -13.9301 -9.0914 -9.0914 -8.8429 -8.8429 -8.7967 -8.7967 -0.9050 -0.9050 0.4868 0.4868 0.4989 0.4989 0.5895 0.5895 7.1254 7.1254 7.2187 7.2187 10.4076 10.4076 11.6176 11.6176 Writing output data file KCN.save init_run : 3.59s CPU 12.00s WALL ( 1 calls) electrons : 184.37s CPU 189.40s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.42s CPU 1.38s WALL ( 1 calls) Called by electrons: c_bands : 184.35s CPU 189.11s WALL ( 1 calls) v_of_rho : 0.12s CPU 0.88s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.12s CPU 0.55s WALL ( 1 calls) newd : 0.17s CPU 0.42s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.14s WALL ( 389 calls) cegterg : 162.45s CPU 163.77s WALL ( 835 calls) Called by sum_band: Called by *egterg: h_psi : 71.53s CPU 77.56s WALL ( 13720 calls) s_psi : 5.52s CPU 6.25s WALL ( 13720 calls) g_psi : 0.13s CPU 0.19s WALL ( 12496 calls) cdiaghg : 61.82s CPU 59.41s WALL ( 12885 calls) cegterg:over : 12.90s CPU 10.81s WALL ( 12496 calls) cegterg:upda : 0.86s CPU 2.02s WALL ( 12496 calls) cegterg:last : 0.78s CPU 1.33s WALL ( 2002 calls) Called by h_psi: h_psi:vloc : 59.24s CPU 65.02s WALL ( 13720 calls) h_psi:vnl : 12.24s CPU 12.39s WALL ( 13720 calls) add_vuspsi : 2.49s CPU 4.43s WALL ( 13720 calls) General routines calbec : 9.72s CPU 7.88s WALL ( 13720 calls) fft : 0.33s CPU 1.63s WALL ( 19 calls) ffts : 0.00s CPU 0.02s WALL ( 4 calls) fftw : 56.13s CPU 61.48s WALL ( 658736 calls) interpolate : 0.09s CPU 0.15s WALL ( 4 calls) davcio : 0.03s CPU 1.44s WALL ( 778 calls) Parallel routines fft_scatter : 44.32s CPU 49.11s WALL ( 658759 calls) PWSCF : 3m38.69s CPU 5m 3.51s WALL This run was terminated on: 21:41:53 6Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=