Program PWSCF v.5.1.1 starts on 7Oct2015 at 14:38:15 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 28 15 4 764 295 49 Max 29 16 5 768 306 54 Sum 1351 727 231 36793 14479 2493 bravais-lattice index = 14 lattice parameter (alat) = 7.2061 a.u. unit-cell volume = 367.7108 (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)= 7.206136 celldm(2)= 1.000000 celldm(3)= 0.985466 celldm(4)= 0.043150 celldm(5)= 0.043150 celldm(6)= 0.046419 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.046419 0.998922 0.000000 ) a(3) = ( 0.042523 0.040593 0.983711 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.046469 -0.041310 ) b(2) = ( 0.000000 1.001079 -0.041310 ) b(3) = ( 0.000000 0.000000 1.016559 ) 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= 388 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 2) = ( 0.0086207 0.0082294 -0.0007122), wk = 0.0025773 k( 3) = ( 0.0172414 0.0164588 -0.0014245), wk = 0.0025773 k( 4) = ( 0.0258621 0.0246882 -0.0021367), wk = 0.0025773 k( 5) = ( 0.0344828 0.0329176 -0.0028489), wk = 0.0025773 k( 6) = ( 0.0431035 0.0411470 -0.0035612), wk = 0.0025773 k( 7) = ( 0.0517241 0.0493764 -0.0042734), wk = 0.0025773 k( 8) = ( 0.0603448 0.0576058 -0.0049857), wk = 0.0025773 k( 9) = ( 0.0689655 0.0658352 -0.0056979), wk = 0.0025773 k( 10) = ( 0.0775862 0.0740646 -0.0064101), wk = 0.0025773 k( 11) = ( 0.0862069 0.0822939 -0.0071224), wk = 0.0025773 k( 12) = ( 0.0948276 0.0905233 -0.0078346), wk = 0.0025773 k( 13) = ( 0.1034483 0.0987527 -0.0085468), wk = 0.0025773 k( 14) = ( 0.1120690 0.1069821 -0.0092591), wk = 0.0025773 k( 15) = ( 0.1206897 0.1152115 -0.0099713), wk = 0.0025773 k( 16) = ( 0.1293103 0.1234409 -0.0106835), wk = 0.0025773 k( 17) = ( 0.1379310 0.1316703 -0.0113958), wk = 0.0025773 k( 18) = ( 0.1465517 0.1398997 -0.0121080), wk = 0.0025773 k( 19) = ( 0.1551724 0.1481291 -0.0128202), wk = 0.0025773 k( 20) = ( 0.1637931 0.1563585 -0.0135325), wk = 0.0025773 k( 21) = ( 0.1724138 0.1645879 -0.0142447), wk = 0.0025773 k( 22) = ( 0.1810345 0.1728173 -0.0149570), wk = 0.0025773 k( 23) = ( 0.1896552 0.1810467 -0.0156692), wk = 0.0025773 k( 24) = ( 0.1982759 0.1892761 -0.0163814), wk = 0.0025773 k( 25) = ( 0.2068966 0.1975055 -0.0170937), wk = 0.0025773 k( 26) = ( 0.2155172 0.2057349 -0.0178059), wk = 0.0025773 k( 27) = ( 0.2241379 0.2139642 -0.0185181), wk = 0.0025773 k( 28) = ( 0.2327586 0.2221936 -0.0192304), wk = 0.0025773 k( 29) = ( 0.2413793 0.2304230 -0.0199426), wk = 0.0025773 k( 30) = ( 0.2500000 0.2386524 -0.0206548), wk = 0.0025773 k( 31) = ( 0.2586207 0.2468818 -0.0213671), wk = 0.0025773 k( 32) = ( 0.2672414 0.2551112 -0.0220793), wk = 0.0025773 k( 33) = ( 0.2758621 0.2633406 -0.0227915), wk = 0.0025773 k( 34) = ( 0.2844828 0.2715700 -0.0235038), wk = 0.0025773 k( 35) = ( 0.2931034 0.2797994 -0.0242160), wk = 0.0025773 k( 36) = ( 0.3017241 0.2880288 -0.0249283), wk = 0.0025773 k( 37) = ( 0.3103448 0.2962582 -0.0256405), wk = 0.0025773 k( 38) = ( 0.3189655 0.3044876 -0.0263527), wk = 0.0025773 k( 39) = ( 0.3275862 0.3127170 -0.0270650), wk = 0.0025773 k( 40) = ( 0.3362069 0.3209464 -0.0277772), wk = 0.0025773 k( 41) = ( 0.3448276 0.3291758 -0.0284894), wk = 0.0025773 k( 42) = ( 0.3534483 0.3374052 -0.0292017), wk = 0.0025773 k( 43) = ( 0.3620690 0.3456346 -0.0299139), wk = 0.0025773 k( 44) = ( 0.3706897 0.3538640 -0.0306261), wk = 0.0025773 k( 45) = ( 0.3793103 0.3620933 -0.0313384), wk = 0.0025773 k( 46) = ( 0.3879310 0.3703227 -0.0320506), wk = 0.0025773 k( 47) = ( 0.3965517 0.3785521 -0.0327628), wk = 0.0025773 k( 48) = ( 0.4051724 0.3867815 -0.0334751), wk = 0.0025773 k( 49) = ( 0.4137931 0.3950109 -0.0341873), wk = 0.0025773 k( 50) = ( 0.4224138 0.4032403 -0.0348996), wk = 0.0025773 k( 51) = ( 0.4310345 0.4114697 -0.0356118), wk = 0.0025773 k( 52) = ( 0.4396552 0.4196991 -0.0363240), wk = 0.0025773 k( 53) = ( 0.4482759 0.4279285 -0.0370363), wk = 0.0025773 k( 54) = ( 0.4568966 0.4361579 -0.0377485), wk = 0.0025773 k( 55) = ( 0.4655172 0.4443873 -0.0384607), wk = 0.0025773 k( 56) = ( 0.4741379 0.4526167 -0.0391730), wk = 0.0025773 k( 57) = ( 0.4827586 0.4608461 -0.0398852), wk = 0.0025773 k( 58) = ( 0.4913793 0.4690755 -0.0405974), wk = 0.0025773 k( 59) = ( 0.5000000 0.4773049 -0.0413097), wk = 0.0025773 k( 60) = ( 0.5000000 0.4773049 -0.0413097), wk = 0.0025773 k( 61) = ( 0.5005176 0.4777990 -0.0293361), wk = 0.0025773 k( 62) = ( 0.5010352 0.4782930 -0.0173625), wk = 0.0025773 k( 63) = ( 0.5015528 0.4787871 -0.0053889), wk = 0.0025773 k( 64) = ( 0.5020703 0.4792812 0.0065847), wk = 0.0025773 k( 65) = ( 0.5025879 0.4797753 0.0185582), wk = 0.0025773 k( 66) = ( 0.5031055 0.4802694 0.0305318), wk = 0.0025773 k( 67) = ( 0.5036231 0.4807635 0.0425054), wk = 0.0025773 k( 68) = ( 0.5041407 0.4812576 0.0544790), wk = 0.0025773 k( 69) = ( 0.5046583 0.4817517 0.0664526), wk = 0.0025773 k( 70) = ( 0.5051758 0.4822458 0.0784262), wk = 0.0025773 k( 71) = ( 0.5056934 0.4827399 0.0903997), wk = 0.0025773 k( 72) = ( 0.5062110 0.4832340 0.1023733), wk = 0.0025773 k( 73) = ( 0.5067286 0.4837281 0.1143469), wk = 0.0025773 k( 74) = ( 0.5072462 0.4842221 0.1263205), wk = 0.0025773 k( 75) = ( 0.5077638 0.4847162 0.1382941), wk = 0.0025773 k( 76) = ( 0.5082814 0.4852103 0.1502677), wk = 0.0025773 k( 77) = ( 0.5087989 0.4857044 0.1622412), wk = 0.0025773 k( 78) = ( 0.5093165 0.4861985 0.1742148), wk = 0.0025773 k( 79) = ( 0.5098341 0.4866926 0.1861884), wk = 0.0025773 k( 80) = ( 0.5103517 0.4871867 0.1981620), wk = 0.0025773 k( 81) = ( 0.5108693 0.4876808 0.2101356), wk = 0.0025773 k( 82) = ( 0.5113869 0.4881749 0.2221092), wk = 0.0025773 k( 83) = ( 0.5119045 0.4886690 0.2340827), wk = 0.0025773 k( 84) = ( 0.5124220 0.4891631 0.2460563), wk = 0.0025773 k( 85) = ( 0.5129396 0.4896572 0.2580299), wk = 0.0025773 k( 86) = ( 0.5134572 0.4901512 0.2700035), wk = 0.0025773 k( 87) = ( 0.5139748 0.4906453 0.2819771), wk = 0.0025773 k( 88) = ( 0.5144924 0.4911394 0.2939507), wk = 0.0025773 k( 89) = ( 0.5150100 0.4916335 0.3059242), wk = 0.0025773 k( 90) = ( 0.5155275 0.4921276 0.3178978), wk = 0.0025773 k( 91) = ( 0.5160451 0.4926217 0.3298714), wk = 0.0025773 k( 92) = ( 0.5165627 0.4931158 0.3418450), wk = 0.0025773 k( 93) = ( 0.5170803 0.4936099 0.3538186), wk = 0.0025773 k( 94) = ( 0.5175979 0.4941040 0.3657922), wk = 0.0025773 k( 95) = ( 0.5181155 0.4945981 0.3777658), wk = 0.0025773 k( 96) = ( 0.5186331 0.4950922 0.3897393), wk = 0.0025773 k( 97) = ( 0.5191507 0.4955863 0.4017129), wk = 0.0025773 k( 98) = ( 0.5196682 0.4960803 0.4136865), wk = 0.0025773 k( 99) = ( 0.5201858 0.4965744 0.4256601), wk = 0.0025773 k( 100) = ( 0.5201858 0.4965744 0.4256601), wk = 0.0025773 k( 101) = ( 0.5161486 0.4927205 0.4339220), wk = 0.0025773 k( 102) = ( 0.5121115 0.4888666 0.4421840), wk = 0.0025773 k( 103) = ( 0.5080743 0.4850127 0.4504459), wk = 0.0025773 k( 104) = ( 0.5040372 0.4811588 0.4587078), wk = 0.0025773 k( 105) = ( 0.5000000 0.4773049 0.4669698), wk = 0.0025773 k( 106) = ( 0.5000000 0.4773049 0.4669698), wk = 0.0025773 k( 107) = ( 0.5082777 0.4686335 0.4669698), wk = 0.0025773 k( 108) = ( 0.5165555 0.4599622 0.4669698), wk = 0.0025773 k( 109) = ( 0.5248332 0.4512909 0.4669698), wk = 0.0025773 k( 110) = ( 0.5331109 0.4426196 0.4669698), wk = 0.0025773 k( 111) = ( 0.5413886 0.4339483 0.4669698), wk = 0.0025773 k( 112) = ( 0.4586114 -0.4804177 0.5082794), wk = 0.0025773 k( 113) = ( 0.4502730 -0.4716828 0.5082794), wk = 0.0025773 k( 114) = ( 0.4419346 -0.4629479 0.5082794), wk = 0.0025773 k( 115) = ( 0.4335962 -0.4542131 0.5082794), wk = 0.0025773 k( 116) = ( 0.4252578 -0.4454782 0.5082794), wk = 0.0025773 k( 117) = ( 0.4169194 -0.4367433 0.5082794), wk = 0.0025773 k( 118) = ( 0.4085810 -0.4280085 0.5082794), wk = 0.0025773 k( 119) = ( 0.4002426 -0.4192736 0.5082794), wk = 0.0025773 k( 120) = ( 0.3919043 -0.4105387 0.5082794), wk = 0.0025773 k( 121) = ( 0.3835659 -0.4018039 0.5082794), wk = 0.0025773 k( 122) = ( 0.3752275 -0.3930690 0.5082794), wk = 0.0025773 k( 123) = ( 0.3668891 -0.3843341 0.5082794), wk = 0.0025773 k( 124) = ( 0.3585507 -0.3755993 0.5082794), wk = 0.0025773 k( 125) = ( 0.3502123 -0.3668644 0.5082794), wk = 0.0025773 k( 126) = ( 0.3418739 -0.3581295 0.5082794), wk = 0.0025773 k( 127) = ( 0.3335355 -0.3493947 0.5082794), wk = 0.0025773 k( 128) = ( 0.3251971 -0.3406598 0.5082794), wk = 0.0025773 k( 129) = ( 0.3168588 -0.3319249 0.5082794), wk = 0.0025773 k( 130) = ( 0.3085204 -0.3231901 0.5082794), wk = 0.0025773 k( 131) = ( 0.3001820 -0.3144552 0.5082794), wk = 0.0025773 k( 132) = ( 0.2918436 -0.3057203 0.5082794), wk = 0.0025773 k( 133) = ( 0.2835052 -0.2969855 0.5082794), wk = 0.0025773 k( 134) = ( 0.2751668 -0.2882506 0.5082794), wk = 0.0025773 k( 135) = ( 0.2668284 -0.2795157 0.5082794), wk = 0.0025773 k( 136) = ( 0.2584900 -0.2707809 0.5082794), wk = 0.0025773 k( 137) = ( 0.2501517 -0.2620460 0.5082794), wk = 0.0025773 k( 138) = ( 0.2418133 -0.2533111 0.5082794), wk = 0.0025773 k( 139) = ( 0.2334749 -0.2445763 0.5082794), wk = 0.0025773 k( 140) = ( 0.2251365 -0.2358414 0.5082794), wk = 0.0025773 k( 141) = ( 0.2167981 -0.2271065 0.5082794), wk = 0.0025773 k( 142) = ( 0.2084597 -0.2183717 0.5082794), wk = 0.0025773 k( 143) = ( 0.2001213 -0.2096368 0.5082794), wk = 0.0025773 k( 144) = ( 0.1917829 -0.2009019 0.5082794), wk = 0.0025773 k( 145) = ( 0.1834446 -0.1921671 0.5082794), wk = 0.0025773 k( 146) = ( 0.1751062 -0.1834322 0.5082794), wk = 0.0025773 k( 147) = ( 0.1667678 -0.1746973 0.5082794), wk = 0.0025773 k( 148) = ( 0.1584294 -0.1659625 0.5082794), wk = 0.0025773 k( 149) = ( 0.1500910 -0.1572276 0.5082794), wk = 0.0025773 k( 150) = ( 0.1417526 -0.1484927 0.5082794), wk = 0.0025773 k( 151) = ( 0.1334142 -0.1397579 0.5082794), wk = 0.0025773 k( 152) = ( 0.1250758 -0.1310230 0.5082794), wk = 0.0025773 k( 153) = ( 0.1167374 -0.1222881 0.5082794), wk = 0.0025773 k( 154) = ( 0.1083990 -0.1135533 0.5082794), wk = 0.0025773 k( 155) = ( 0.1000607 -0.1048184 0.5082794), wk = 0.0025773 k( 156) = ( 0.0917223 -0.0960835 0.5082794), wk = 0.0025773 k( 157) = ( 0.0833839 -0.0873487 0.5082794), wk = 0.0025773 k( 158) = ( 0.0750455 -0.0786138 0.5082794), wk = 0.0025773 k( 159) = ( 0.0667071 -0.0698789 0.5082794), wk = 0.0025773 k( 160) = ( 0.0583687 -0.0611441 0.5082794), wk = 0.0025773 k( 161) = ( 0.0500303 -0.0524092 0.5082794), wk = 0.0025773 k( 162) = ( 0.0416919 -0.0436743 0.5082794), wk = 0.0025773 k( 163) = ( 0.0333536 -0.0349395 0.5082794), wk = 0.0025773 k( 164) = ( 0.0250152 -0.0262046 0.5082794), wk = 0.0025773 k( 165) = ( 0.0166768 -0.0174697 0.5082794), wk = 0.0025773 k( 166) = ( 0.0083384 -0.0087349 0.5082794), wk = 0.0025773 k( 167) = ( 0.0000000 0.0000000 0.5082794), wk = 0.0025773 k( 168) = ( 0.0000000 0.0000000 0.5082794), wk = 0.0025773 k( 169) = ( 0.0087239 0.0083279 0.5082794), wk = 0.0025773 k( 170) = ( 0.0174478 0.0166558 0.5082794), wk = 0.0025773 k( 171) = ( 0.0261717 0.0249837 0.5082795), wk = 0.0025773 k( 172) = ( 0.0348956 0.0333117 0.5082795), wk = 0.0025773 k( 173) = ( 0.0436195 0.0416396 0.5082794), wk = 0.0025773 k( 174) = ( 0.0523434 0.0499675 0.5082794), wk = 0.0025773 k( 175) = ( 0.0610673 0.0582954 0.5082794), wk = 0.0025773 k( 176) = ( 0.0697911 0.0666233 0.5082795), wk = 0.0025773 k( 177) = ( 0.0785151 0.0749512 0.5082795), wk = 0.0025773 k( 178) = ( 0.0872389 0.0832791 0.5082795), wk = 0.0025773 k( 179) = ( 0.0959628 0.0916071 0.5082794), wk = 0.0025773 k( 180) = ( 0.1046867 0.0999350 0.5082794), wk = 0.0025773 k( 181) = ( 0.1134106 0.1082629 0.5082794), wk = 0.0025773 k( 182) = ( 0.1221345 0.1165908 0.5082795), wk = 0.0025773 k( 183) = ( 0.1308584 0.1249187 0.5082795), wk = 0.0025773 k( 184) = ( 0.1395823 0.1332466 0.5082794), wk = 0.0025773 k( 185) = ( 0.1483062 0.1415745 0.5082794), wk = 0.0025773 k( 186) = ( 0.1570301 0.1499025 0.5082794), wk = 0.0025773 k( 187) = ( 0.1657540 0.1582304 0.5082795), wk = 0.0025773 k( 188) = ( 0.1744779 0.1665583 0.5082795), wk = 0.0025773 k( 189) = ( 0.1832018 0.1748862 0.5082794), wk = 0.0025773 k( 190) = ( 0.1919257 0.1832141 0.5082794), wk = 0.0025773 k( 191) = ( 0.2006496 0.1915420 0.5082794), wk = 0.0025773 k( 192) = ( 0.2093735 0.1998699 0.5082795), wk = 0.0025773 k( 193) = ( 0.2180974 0.2081979 0.5082795), wk = 0.0025773 k( 194) = ( 0.2268213 0.2165258 0.5082794), wk = 0.0025773 k( 195) = ( 0.2355451 0.2248537 0.5082794), wk = 0.0025773 k( 196) = ( 0.2442690 0.2331816 0.5082794), wk = 0.0025773 k( 197) = ( 0.2529929 0.2415095 0.5082795), wk = 0.0025773 k( 198) = ( 0.2617168 0.2498374 0.5082795), wk = 0.0025773 k( 199) = ( 0.2704407 0.2581653 0.5082794), wk = 0.0025773 k( 200) = ( 0.2791646 0.2664933 0.5082794), wk = 0.0025773 k( 201) = ( 0.2878885 0.2748212 0.5082794), wk = 0.0025773 k( 202) = ( 0.2966124 0.2831491 0.5082795), wk = 0.0025773 k( 203) = ( 0.3053363 0.2914770 0.5082795), wk = 0.0025773 k( 204) = ( 0.3140602 0.2998049 0.5082795), wk = 0.0025773 k( 205) = ( 0.3227841 0.3081328 0.5082794), wk = 0.0025773 k( 206) = ( 0.3315080 0.3164607 0.5082794), wk = 0.0025773 k( 207) = ( 0.3402319 0.3247887 0.5082794), wk = 0.0025773 k( 208) = ( 0.3489558 0.3331166 0.5082795), wk = 0.0025773 k( 209) = ( 0.3576797 0.3414445 0.5082795), wk = 0.0025773 k( 210) = ( 0.3664036 0.3497724 0.5082794), wk = 0.0025773 k( 211) = ( 0.3751274 0.3581003 0.5082794), wk = 0.0025773 k( 212) = ( 0.3838513 0.3664282 0.5082794), wk = 0.0025773 k( 213) = ( 0.3925752 0.3747561 0.5082795), wk = 0.0025773 k( 214) = ( 0.4012991 0.3830841 0.5082795), wk = 0.0025773 k( 215) = ( 0.4100230 0.3914120 0.5082794), wk = 0.0025773 k( 216) = ( 0.4187469 0.3997399 0.5082794), wk = 0.0025773 k( 217) = ( 0.4274708 0.4080678 0.5082794), wk = 0.0025773 k( 218) = ( 0.4361947 0.4163957 0.5082795), wk = 0.0025773 k( 219) = ( 0.4449186 0.4247236 0.5082795), wk = 0.0025773 k( 220) = ( 0.4536425 0.4330515 0.5082794), wk = 0.0025773 k( 221) = ( 0.4623664 0.4413795 0.5082794), wk = 0.0025773 k( 222) = ( 0.4710903 0.4497074 0.5082794), wk = 0.0025773 k( 223) = ( 0.4798142 0.4580353 0.5082795), wk = 0.0025773 k( 224) = ( 0.5000000 0.4773049 -0.0413097), wk = 0.0025773 k( 225) = ( 0.5071221 0.4698441 -0.0413097), wk = 0.0025773 k( 226) = ( 0.5142443 0.4623833 -0.0413097), wk = 0.0025773 k( 227) = ( 0.5213664 0.4549225 -0.0413097), wk = 0.0025773 k( 228) = ( 0.4786336 -0.5013919 0.0000000), wk = 0.0025773 k( 229) = ( 0.4703813 -0.4927472 0.0000000), wk = 0.0025773 k( 230) = ( 0.4621290 -0.4841025 0.0000000), wk = 0.0025773 k( 231) = ( 0.4538767 -0.4754578 0.0000000), wk = 0.0025773 k( 232) = ( 0.4456244 -0.4668131 0.0000000), wk = 0.0025773 k( 233) = ( 0.4373721 -0.4581684 0.0000000), wk = 0.0025773 k( 234) = ( 0.4291198 -0.4495238 0.0000000), wk = 0.0025773 k( 235) = ( 0.4208674 -0.4408791 0.0000000), wk = 0.0025773 k( 236) = ( 0.4126151 -0.4322344 0.0000000), wk = 0.0025773 k( 237) = ( 0.4043628 -0.4235897 0.0000000), wk = 0.0025773 k( 238) = ( 0.3961105 -0.4149450 0.0000000), wk = 0.0025773 k( 239) = ( 0.3878582 -0.4063003 0.0000000), wk = 0.0025773 k( 240) = ( 0.3796059 -0.3976556 0.0000000), wk = 0.0025773 k( 241) = ( 0.3713536 -0.3890109 0.0000000), wk = 0.0025773 k( 242) = ( 0.3631013 -0.3803663 0.0000000), wk = 0.0025773 k( 243) = ( 0.3548490 -0.3717216 0.0000000), wk = 0.0025773 k( 244) = ( 0.3465967 -0.3630769 0.0000000), wk = 0.0025773 k( 245) = ( 0.3383444 -0.3544322 0.0000000), wk = 0.0025773 k( 246) = ( 0.3300921 -0.3457875 0.0000000), wk = 0.0025773 k( 247) = ( 0.3218398 -0.3371428 0.0000000), wk = 0.0025773 k( 248) = ( 0.3135875 -0.3284981 0.0000000), wk = 0.0025773 k( 249) = ( 0.3053352 -0.3198534 0.0000000), wk = 0.0025773 k( 250) = ( 0.2970829 -0.3112088 0.0000000), wk = 0.0025773 k( 251) = ( 0.2888306 -0.3025641 0.0000000), wk = 0.0025773 k( 252) = ( 0.2805783 -0.2939194 0.0000000), wk = 0.0025773 k( 253) = ( 0.2723260 -0.2852747 0.0000000), wk = 0.0025773 k( 254) = ( 0.2640737 -0.2766300 0.0000000), wk = 0.0025773 k( 255) = ( 0.2558214 -0.2679853 0.0000000), wk = 0.0025773 k( 256) = ( 0.2475691 -0.2593406 0.0000000), wk = 0.0025773 k( 257) = ( 0.2393168 -0.2506959 0.0000000), wk = 0.0025773 k( 258) = ( 0.2310645 -0.2420513 0.0000000), wk = 0.0025773 k( 259) = ( 0.2228122 -0.2334066 0.0000000), wk = 0.0025773 k( 260) = ( 0.2145599 -0.2247619 0.0000000), wk = 0.0025773 k( 261) = ( 0.2063076 -0.2161172 0.0000000), wk = 0.0025773 k( 262) = ( 0.1980553 -0.2074725 0.0000000), wk = 0.0025773 k( 263) = ( 0.1898030 -0.1988278 0.0000000), wk = 0.0025773 k( 264) = ( 0.1815507 -0.1901831 0.0000000), wk = 0.0025773 k( 265) = ( 0.1732984 -0.1815384 0.0000000), wk = 0.0025773 k( 266) = ( 0.1650461 -0.1728938 0.0000000), wk = 0.0025773 k( 267) = ( 0.1567938 -0.1642491 0.0000000), wk = 0.0025773 k( 268) = ( 0.1485414 -0.1556044 0.0000000), wk = 0.0025773 k( 269) = ( 0.1402892 -0.1469597 0.0000000), wk = 0.0025773 k( 270) = ( 0.1320369 -0.1383150 0.0000000), wk = 0.0025773 k( 271) = ( 0.1237845 -0.1296703 0.0000000), wk = 0.0025773 k( 272) = ( 0.1155322 -0.1210256 0.0000000), wk = 0.0025773 k( 273) = ( 0.1072799 -0.1123809 0.0000000), wk = 0.0025773 k( 274) = ( 0.0990276 -0.1037362 0.0000000), wk = 0.0025773 k( 275) = ( 0.0907753 -0.0950916 0.0000000), wk = 0.0025773 k( 276) = ( 0.0825230 -0.0864469 0.0000000), wk = 0.0025773 k( 277) = ( 0.0742707 -0.0778022 0.0000000), wk = 0.0025773 k( 278) = ( 0.0660184 -0.0691575 0.0000000), wk = 0.0025773 k( 279) = ( 0.0577661 -0.0605128 0.0000000), wk = 0.0025773 k( 280) = ( 0.0495138 -0.0518681 0.0000000), wk = 0.0025773 k( 281) = ( 0.0412615 -0.0432234 0.0000000), wk = 0.0025773 k( 282) = ( 0.0330092 -0.0345787 0.0000000), wk = 0.0025773 k( 283) = ( 0.0247569 -0.0259341 0.0000000), wk = 0.0025773 k( 284) = ( 0.0165046 -0.0172894 0.0000000), wk = 0.0025773 k( 285) = ( 0.0082523 -0.0086447 0.0000000), wk = 0.0025773 k( 286) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 287) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 288) = ( 0.0119048 -0.0005532 -0.0004918), wk = 0.0025773 k( 289) = ( 0.0238095 -0.0011064 -0.0009836), wk = 0.0025773 k( 290) = ( 0.0357143 -0.0016596 -0.0014753), wk = 0.0025773 k( 291) = ( 0.0476191 -0.0022128 -0.0019671), wk = 0.0025773 k( 292) = ( 0.0595238 -0.0027660 -0.0024589), wk = 0.0025773 k( 293) = ( 0.0714286 -0.0033192 -0.0029507), wk = 0.0025773 k( 294) = ( 0.0833333 -0.0038724 -0.0034425), wk = 0.0025773 k( 295) = ( 0.0952381 -0.0044257 -0.0039343), wk = 0.0025773 k( 296) = ( 0.1071429 -0.0049789 -0.0044260), wk = 0.0025773 k( 297) = ( 0.1190476 -0.0055321 -0.0049178), wk = 0.0025773 k( 298) = ( 0.1309524 -0.0060853 -0.0054096), wk = 0.0025773 k( 299) = ( 0.1428571 -0.0066385 -0.0059014), wk = 0.0025773 k( 300) = ( 0.1547619 -0.0071917 -0.0063932), wk = 0.0025773 k( 301) = ( 0.1666667 -0.0077449 -0.0068849), wk = 0.0025773 k( 302) = ( 0.1785714 -0.0082981 -0.0073767), wk = 0.0025773 k( 303) = ( 0.1904762 -0.0088513 -0.0078685), wk = 0.0025773 k( 304) = ( 0.2023810 -0.0094045 -0.0083603), wk = 0.0025773 k( 305) = ( 0.2142857 -0.0099577 -0.0088521), wk = 0.0025773 k( 306) = ( 0.2261905 -0.0105109 -0.0093439), wk = 0.0025773 k( 307) = ( 0.2380952 -0.0110641 -0.0098356), wk = 0.0025773 k( 308) = ( 0.2500000 -0.0116173 -0.0103274), wk = 0.0025773 k( 309) = ( 0.2619048 -0.0121706 -0.0108192), wk = 0.0025773 k( 310) = ( 0.2738095 -0.0127238 -0.0113110), wk = 0.0025773 k( 311) = ( 0.2857143 -0.0132770 -0.0118028), wk = 0.0025773 k( 312) = ( 0.2976190 -0.0138302 -0.0122945), wk = 0.0025773 k( 313) = ( 0.3095238 -0.0143834 -0.0127863), wk = 0.0025773 k( 314) = ( 0.3214286 -0.0149366 -0.0132781), wk = 0.0025773 k( 315) = ( 0.3333333 -0.0154898 -0.0137699), wk = 0.0025773 k( 316) = ( 0.3452381 -0.0160430 -0.0142617), wk = 0.0025773 k( 317) = ( 0.3571429 -0.0165962 -0.0147535), wk = 0.0025773 k( 318) = ( 0.3690476 -0.0171494 -0.0152452), wk = 0.0025773 k( 319) = ( 0.3809524 -0.0177026 -0.0157370), wk = 0.0025773 k( 320) = ( 0.3928571 -0.0182558 -0.0162288), wk = 0.0025773 k( 321) = ( 0.4047619 -0.0188090 -0.0167206), wk = 0.0025773 k( 322) = ( 0.4166667 -0.0193622 -0.0172124), wk = 0.0025773 k( 323) = ( 0.4285714 -0.0199155 -0.0177041), wk = 0.0025773 k( 324) = ( 0.4404762 -0.0204687 -0.0181959), wk = 0.0025773 k( 325) = ( 0.4523810 -0.0210219 -0.0186877), wk = 0.0025773 k( 326) = ( 0.4642857 -0.0215751 -0.0191795), wk = 0.0025773 k( 327) = ( 0.4761905 -0.0221283 -0.0196713), wk = 0.0025773 k( 328) = ( 0.4880952 -0.0226815 -0.0201631), wk = 0.0025773 k( 329) = ( 0.5000000 -0.0232347 -0.0206548), wk = 0.0025773 k( 330) = ( 0.5000000 -0.0232347 0.4876246), wk = 0.0025773 k( 331) = ( 0.4913793 -0.0228341 0.4792173), wk = 0.0025773 k( 332) = ( 0.4827586 -0.0224335 0.4708100), wk = 0.0025773 k( 333) = ( 0.4741379 -0.0220329 0.4624026), wk = 0.0025773 k( 334) = ( 0.4655172 -0.0216323 0.4539953), wk = 0.0025773 k( 335) = ( 0.4568966 -0.0212317 0.4455880), wk = 0.0025773 k( 336) = ( 0.4482759 -0.0208311 0.4371807), wk = 0.0025773 k( 337) = ( 0.4396552 -0.0204305 0.4287734), wk = 0.0025773 k( 338) = ( 0.4310345 -0.0200299 0.4203660), wk = 0.0025773 k( 339) = ( 0.4224138 -0.0196293 0.4119587), wk = 0.0025773 k( 340) = ( 0.4137931 -0.0192287 0.4035514), wk = 0.0025773 k( 341) = ( 0.4051724 -0.0188281 0.3951441), wk = 0.0025773 k( 342) = ( 0.3965517 -0.0184275 0.3867368), wk = 0.0025773 k( 343) = ( 0.3879310 -0.0180269 0.3783294), wk = 0.0025773 k( 344) = ( 0.3793103 -0.0176263 0.3699221), wk = 0.0025773 k( 345) = ( 0.3706897 -0.0172257 0.3615148), wk = 0.0025773 k( 346) = ( 0.3620690 -0.0168251 0.3531075), wk = 0.0025773 k( 347) = ( 0.3534483 -0.0164245 0.3447002), wk = 0.0025773 k( 348) = ( 0.3448276 -0.0160239 0.3362928), wk = 0.0025773 k( 349) = ( 0.3362069 -0.0156233 0.3278855), wk = 0.0025773 k( 350) = ( 0.3275862 -0.0152227 0.3194782), wk = 0.0025773 k( 351) = ( 0.3189655 -0.0148221 0.3110709), wk = 0.0025773 k( 352) = ( 0.3103448 -0.0144215 0.3026636), wk = 0.0025773 k( 353) = ( 0.3017241 -0.0140209 0.2942562), wk = 0.0025773 k( 354) = ( 0.2931034 -0.0136203 0.2858489), wk = 0.0025773 k( 355) = ( 0.2844828 -0.0132197 0.2774416), wk = 0.0025773 k( 356) = ( 0.2758621 -0.0128191 0.2690343), wk = 0.0025773 k( 357) = ( 0.2672414 -0.0124185 0.2606269), wk = 0.0025773 k( 358) = ( 0.2586207 -0.0120179 0.2522196), wk = 0.0025773 k( 359) = ( 0.2500000 -0.0116173 0.2438123), wk = 0.0025773 k( 360) = ( 0.2413793 -0.0112168 0.2354050), wk = 0.0025773 k( 361) = ( 0.2327586 -0.0108162 0.2269977), wk = 0.0025773 k( 362) = ( 0.2241379 -0.0104156 0.2185903), wk = 0.0025773 k( 363) = ( 0.2155172 -0.0100150 0.2101830), wk = 0.0025773 k( 364) = ( 0.2068966 -0.0096144 0.2017757), wk = 0.0025773 k( 365) = ( 0.1982759 -0.0092138 0.1933684), wk = 0.0025773 k( 366) = ( 0.1896552 -0.0088132 0.1849611), wk = 0.0025773 k( 367) = ( 0.1810345 -0.0084126 0.1765537), wk = 0.0025773 k( 368) = ( 0.1724138 -0.0080120 0.1681464), wk = 0.0025773 k( 369) = ( 0.1637931 -0.0076114 0.1597391), wk = 0.0025773 k( 370) = ( 0.1551724 -0.0072108 0.1513318), wk = 0.0025773 k( 371) = ( 0.1465517 -0.0068102 0.1429245), wk = 0.0025773 k( 372) = ( 0.1379310 -0.0064096 0.1345171), wk = 0.0025773 k( 373) = ( 0.1293103 -0.0060090 0.1261098), wk = 0.0025773 k( 374) = ( 0.1206897 -0.0056084 0.1177025), wk = 0.0025773 k( 375) = ( 0.1120690 -0.0052078 0.1092952), wk = 0.0025773 k( 376) = ( 0.1034483 -0.0048072 0.1008879), wk = 0.0025773 k( 377) = ( 0.0948276 -0.0044066 0.0924805), wk = 0.0025773 k( 378) = ( 0.0862069 -0.0040060 0.0840732), wk = 0.0025773 k( 379) = ( 0.0775862 -0.0036054 0.0756659), wk = 0.0025773 k( 380) = ( 0.0689655 -0.0032048 0.0672586), wk = 0.0025773 k( 381) = ( 0.0603448 -0.0028042 0.0588512), wk = 0.0025773 k( 382) = ( 0.0517241 -0.0024036 0.0504439), wk = 0.0025773 k( 383) = ( 0.0431035 -0.0020030 0.0420366), wk = 0.0025773 k( 384) = ( 0.0344828 -0.0016024 0.0336293), wk = 0.0025773 k( 385) = ( 0.0258621 -0.0012018 0.0252220), wk = 0.0025773 k( 386) = ( 0.0172414 -0.0008012 0.0168146), wk = 0.0025773 k( 387) = ( 0.0086207 -0.0004006 0.0084073), wk = 0.0025773 k( 388) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 2) = ( 0.0086207 0.0086207 -0.0000000), wk = 0.0025773 k( 3) = ( 0.0172414 0.0172414 -0.0000000), wk = 0.0025773 k( 4) = ( 0.0258621 0.0258621 0.0000000), wk = 0.0025773 k( 5) = ( 0.0344828 0.0344828 -0.0000000), wk = 0.0025773 k( 6) = ( 0.0431035 0.0431035 0.0000000), wk = 0.0025773 k( 7) = ( 0.0517241 0.0517241 0.0000000), wk = 0.0025773 k( 8) = ( 0.0603448 0.0603448 0.0000000), wk = 0.0025773 k( 9) = ( 0.0689655 0.0689655 -0.0000000), wk = 0.0025773 k( 10) = ( 0.0775862 0.0775862 -0.0000000), wk = 0.0025773 k( 11) = ( 0.0862069 0.0862069 0.0000000), wk = 0.0025773 k( 12) = ( 0.0948276 0.0948276 0.0000000), wk = 0.0025773 k( 13) = ( 0.1034483 0.1034483 0.0000000), wk = 0.0025773 k( 14) = ( 0.1120690 0.1120690 0.0000000), wk = 0.0025773 k( 15) = ( 0.1206897 0.1206897 0.0000000), wk = 0.0025773 k( 16) = ( 0.1293103 0.1293103 -0.0000000), wk = 0.0025773 k( 17) = ( 0.1379310 0.1379310 -0.0000000), wk = 0.0025773 k( 18) = ( 0.1465517 0.1465517 0.0000000), wk = 0.0025773 k( 19) = ( 0.1551724 0.1551724 -0.0000000), wk = 0.0025773 k( 20) = ( 0.1637931 0.1637931 -0.0000000), wk = 0.0025773 k( 21) = ( 0.1724138 0.1724138 -0.0000000), wk = 0.0025773 k( 22) = ( 0.1810345 0.1810345 0.0000000), wk = 0.0025773 k( 23) = ( 0.1896552 0.1896552 0.0000000), wk = 0.0025773 k( 24) = ( 0.1982759 0.1982759 0.0000000), wk = 0.0025773 k( 25) = ( 0.2068966 0.2068966 0.0000000), wk = 0.0025773 k( 26) = ( 0.2155172 0.2155172 0.0000000), wk = 0.0025773 k( 27) = ( 0.2241379 0.2241379 0.0000000), wk = 0.0025773 k( 28) = ( 0.2327586 0.2327586 0.0000000), wk = 0.0025773 k( 29) = ( 0.2413793 0.2413793 0.0000000), wk = 0.0025773 k( 30) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0025773 k( 31) = ( 0.2586207 0.2586207 -0.0000000), wk = 0.0025773 k( 32) = ( 0.2672414 0.2672414 0.0000000), wk = 0.0025773 k( 33) = ( 0.2758621 0.2758621 0.0000000), wk = 0.0025773 k( 34) = ( 0.2844828 0.2844828 0.0000000), wk = 0.0025773 k( 35) = ( 0.2931034 0.2931034 -0.0000000), wk = 0.0025773 k( 36) = ( 0.3017241 0.3017241 0.0000000), wk = 0.0025773 k( 37) = ( 0.3103448 0.3103448 -0.0000000), wk = 0.0025773 k( 38) = ( 0.3189655 0.3189655 0.0000000), wk = 0.0025773 k( 39) = ( 0.3275862 0.3275862 0.0000000), wk = 0.0025773 k( 40) = ( 0.3362069 0.3362069 0.0000000), wk = 0.0025773 k( 41) = ( 0.3448276 0.3448276 0.0000000), wk = 0.0025773 k( 42) = ( 0.3534483 0.3534483 -0.0000000), wk = 0.0025773 k( 43) = ( 0.3620690 0.3620690 0.0000000), wk = 0.0025773 k( 44) = ( 0.3706897 0.3706897 0.0000000), wk = 0.0025773 k( 45) = ( 0.3793103 0.3793103 0.0000000), wk = 0.0025773 k( 46) = ( 0.3879310 0.3879310 0.0000000), wk = 0.0025773 k( 47) = ( 0.3965517 0.3965517 0.0000000), wk = 0.0025773 k( 48) = ( 0.4051724 0.4051724 0.0000000), wk = 0.0025773 k( 49) = ( 0.4137931 0.4137931 0.0000000), wk = 0.0025773 k( 50) = ( 0.4224138 0.4224138 0.0000000), wk = 0.0025773 k( 51) = ( 0.4310345 0.4310345 0.0000000), wk = 0.0025773 k( 52) = ( 0.4396552 0.4396552 0.0000000), wk = 0.0025773 k( 53) = ( 0.4482759 0.4482759 0.0000000), wk = 0.0025773 k( 54) = ( 0.4568966 0.4568966 0.0000000), wk = 0.0025773 k( 55) = ( 0.4655172 0.4655172 0.0000000), wk = 0.0025773 k( 56) = ( 0.4741379 0.4741379 0.0000000), wk = 0.0025773 k( 57) = ( 0.4827586 0.4827586 0.0000000), wk = 0.0025773 k( 58) = ( 0.4913793 0.4913793 0.0000000), wk = 0.0025773 k( 59) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025773 k( 60) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025773 k( 61) = ( 0.5005176 0.5005176 0.0118206), wk = 0.0025773 k( 62) = ( 0.5010352 0.5010352 0.0236412), wk = 0.0025773 k( 63) = ( 0.5015528 0.5015528 0.0354618), wk = 0.0025773 k( 64) = ( 0.5020703 0.5020703 0.0472824), wk = 0.0025773 k( 65) = ( 0.5025879 0.5025879 0.0591031), wk = 0.0025773 k( 66) = ( 0.5031055 0.5031055 0.0709237), wk = 0.0025773 k( 67) = ( 0.5036231 0.5036231 0.0827443), wk = 0.0025773 k( 68) = ( 0.5041407 0.5041407 0.0945649), wk = 0.0025773 k( 69) = ( 0.5046583 0.5046583 0.1063855), wk = 0.0025773 k( 70) = ( 0.5051758 0.5051758 0.1182061), wk = 0.0025773 k( 71) = ( 0.5056934 0.5056934 0.1300267), wk = 0.0025773 k( 72) = ( 0.5062110 0.5062110 0.1418473), wk = 0.0025773 k( 73) = ( 0.5067286 0.5067286 0.1536679), wk = 0.0025773 k( 74) = ( 0.5072462 0.5072462 0.1654885), wk = 0.0025773 k( 75) = ( 0.5077638 0.5077638 0.1773091), wk = 0.0025773 k( 76) = ( 0.5082814 0.5082814 0.1891298), wk = 0.0025773 k( 77) = ( 0.5087989 0.5087989 0.2009504), wk = 0.0025773 k( 78) = ( 0.5093165 0.5093165 0.2127710), wk = 0.0025773 k( 79) = ( 0.5098341 0.5098341 0.2245916), wk = 0.0025773 k( 80) = ( 0.5103517 0.5103517 0.2364122), wk = 0.0025773 k( 81) = ( 0.5108693 0.5108693 0.2482328), wk = 0.0025773 k( 82) = ( 0.5113869 0.5113869 0.2600534), wk = 0.0025773 k( 83) = ( 0.5119045 0.5119045 0.2718740), wk = 0.0025773 k( 84) = ( 0.5124220 0.5124220 0.2836946), wk = 0.0025773 k( 85) = ( 0.5129396 0.5129396 0.2955153), wk = 0.0025773 k( 86) = ( 0.5134572 0.5134572 0.3073359), wk = 0.0025773 k( 87) = ( 0.5139748 0.5139748 0.3191565), wk = 0.0025773 k( 88) = ( 0.5144924 0.5144924 0.3309771), wk = 0.0025773 k( 89) = ( 0.5150100 0.5150100 0.3427977), wk = 0.0025773 k( 90) = ( 0.5155275 0.5155275 0.3546183), wk = 0.0025773 k( 91) = ( 0.5160451 0.5160451 0.3664389), wk = 0.0025773 k( 92) = ( 0.5165627 0.5165627 0.3782595), wk = 0.0025773 k( 93) = ( 0.5170803 0.5170803 0.3900801), wk = 0.0025773 k( 94) = ( 0.5175979 0.5175979 0.4019007), wk = 0.0025773 k( 95) = ( 0.5181155 0.5181155 0.4137214), wk = 0.0025773 k( 96) = ( 0.5186331 0.5186331 0.4255420), wk = 0.0025773 k( 97) = ( 0.5191507 0.5191506 0.4373626), wk = 0.0025773 k( 98) = ( 0.5196682 0.5196682 0.4491832), wk = 0.0025773 k( 99) = ( 0.5201858 0.5201858 0.4610038), wk = 0.0025773 k( 100) = ( 0.5201858 0.5201858 0.4610038), wk = 0.0025773 k( 101) = ( 0.5161486 0.5161486 0.4688030), wk = 0.0025773 k( 102) = ( 0.5121115 0.5121115 0.4766023), wk = 0.0025773 k( 103) = ( 0.5080743 0.5080743 0.4844015), wk = 0.0025773 k( 104) = ( 0.5040372 0.5040372 0.4922008), wk = 0.0025773 k( 105) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025773 k( 106) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025773 k( 107) = ( 0.5082777 0.4917223 0.5000000), wk = 0.0025773 k( 108) = ( 0.5165555 0.4834445 0.5000000), wk = 0.0025773 k( 109) = ( 0.5248332 0.4751668 0.5000000), wk = 0.0025773 k( 110) = ( 0.5331109 0.4668891 0.5000000), wk = 0.0025773 k( 111) = ( 0.5413886 0.4586114 0.5000000), wk = 0.0025773 k( 112) = ( 0.4586114 -0.4586114 0.5000000), wk = 0.0025773 k( 113) = ( 0.4502730 -0.4502730 0.5000000), wk = 0.0025773 k( 114) = ( 0.4419346 -0.4419346 0.5000000), wk = 0.0025773 k( 115) = ( 0.4335962 -0.4335962 0.5000000), wk = 0.0025773 k( 116) = ( 0.4252578 -0.4252578 0.5000000), wk = 0.0025773 k( 117) = ( 0.4169194 -0.4169194 0.5000000), wk = 0.0025773 k( 118) = ( 0.4085810 -0.4085810 0.5000000), wk = 0.0025773 k( 119) = ( 0.4002426 -0.4002426 0.5000000), wk = 0.0025773 k( 120) = ( 0.3919043 -0.3919043 0.5000000), wk = 0.0025773 k( 121) = ( 0.3835659 -0.3835659 0.5000000), wk = 0.0025773 k( 122) = ( 0.3752275 -0.3752275 0.5000000), wk = 0.0025773 k( 123) = ( 0.3668891 -0.3668891 0.5000000), wk = 0.0025773 k( 124) = ( 0.3585507 -0.3585507 0.5000000), wk = 0.0025773 k( 125) = ( 0.3502123 -0.3502123 0.5000000), wk = 0.0025773 k( 126) = ( 0.3418739 -0.3418739 0.5000000), wk = 0.0025773 k( 127) = ( 0.3335355 -0.3335355 0.5000000), wk = 0.0025773 k( 128) = ( 0.3251971 -0.3251971 0.5000000), wk = 0.0025773 k( 129) = ( 0.3168588 -0.3168588 0.5000000), wk = 0.0025773 k( 130) = ( 0.3085204 -0.3085204 0.5000000), wk = 0.0025773 k( 131) = ( 0.3001820 -0.3001820 0.5000000), wk = 0.0025773 k( 132) = ( 0.2918436 -0.2918436 0.5000000), wk = 0.0025773 k( 133) = ( 0.2835052 -0.2835052 0.5000000), wk = 0.0025773 k( 134) = ( 0.2751668 -0.2751668 0.5000000), wk = 0.0025773 k( 135) = ( 0.2668284 -0.2668284 0.5000000), wk = 0.0025773 k( 136) = ( 0.2584900 -0.2584900 0.5000000), wk = 0.0025773 k( 137) = ( 0.2501517 -0.2501517 0.5000000), wk = 0.0025773 k( 138) = ( 0.2418133 -0.2418133 0.5000000), wk = 0.0025773 k( 139) = ( 0.2334749 -0.2334749 0.5000000), wk = 0.0025773 k( 140) = ( 0.2251365 -0.2251365 0.5000000), wk = 0.0025773 k( 141) = ( 0.2167981 -0.2167981 0.5000000), wk = 0.0025773 k( 142) = ( 0.2084597 -0.2084597 0.5000000), wk = 0.0025773 k( 143) = ( 0.2001213 -0.2001213 0.5000000), wk = 0.0025773 k( 144) = ( 0.1917829 -0.1917829 0.5000000), wk = 0.0025773 k( 145) = ( 0.1834446 -0.1834446 0.5000000), wk = 0.0025773 k( 146) = ( 0.1751062 -0.1751062 0.5000000), wk = 0.0025773 k( 147) = ( 0.1667678 -0.1667678 0.5000000), wk = 0.0025773 k( 148) = ( 0.1584294 -0.1584294 0.5000000), wk = 0.0025773 k( 149) = ( 0.1500910 -0.1500910 0.5000000), wk = 0.0025773 k( 150) = ( 0.1417526 -0.1417526 0.5000000), wk = 0.0025773 k( 151) = ( 0.1334142 -0.1334142 0.5000000), wk = 0.0025773 k( 152) = ( 0.1250758 -0.1250758 0.5000000), wk = 0.0025773 k( 153) = ( 0.1167374 -0.1167374 0.5000000), wk = 0.0025773 k( 154) = ( 0.1083990 -0.1083990 0.5000000), wk = 0.0025773 k( 155) = ( 0.1000607 -0.1000607 0.5000000), wk = 0.0025773 k( 156) = ( 0.0917223 -0.0917223 0.5000000), wk = 0.0025773 k( 157) = ( 0.0833839 -0.0833839 0.5000000), wk = 0.0025773 k( 158) = ( 0.0750455 -0.0750455 0.5000000), wk = 0.0025773 k( 159) = ( 0.0667071 -0.0667071 0.5000000), wk = 0.0025773 k( 160) = ( 0.0583687 -0.0583687 0.5000000), wk = 0.0025773 k( 161) = ( 0.0500303 -0.0500303 0.5000000), wk = 0.0025773 k( 162) = ( 0.0416919 -0.0416919 0.5000000), wk = 0.0025773 k( 163) = ( 0.0333536 -0.0333535 0.5000000), wk = 0.0025773 k( 164) = ( 0.0250152 -0.0250152 0.5000000), wk = 0.0025773 k( 165) = ( 0.0166768 -0.0166768 0.5000000), wk = 0.0025773 k( 166) = ( 0.0083384 -0.0083384 0.5000000), wk = 0.0025773 k( 167) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025773 k( 168) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025773 k( 169) = ( 0.0087239 0.0087239 0.5007090), wk = 0.0025773 k( 170) = ( 0.0174478 0.0174478 0.5014180), wk = 0.0025773 k( 171) = ( 0.0261717 0.0261717 0.5021271), wk = 0.0025773 k( 172) = ( 0.0348956 0.0348956 0.5028361), wk = 0.0025773 k( 173) = ( 0.0436195 0.0436195 0.5035451), wk = 0.0025773 k( 174) = ( 0.0523434 0.0523434 0.5042541), wk = 0.0025773 k( 175) = ( 0.0610673 0.0610673 0.5049632), wk = 0.0025773 k( 176) = ( 0.0697911 0.0697911 0.5056722), wk = 0.0025773 k( 177) = ( 0.0785151 0.0785151 0.5063812), wk = 0.0025773 k( 178) = ( 0.0872389 0.0872389 0.5070902), wk = 0.0025773 k( 179) = ( 0.0959628 0.0959628 0.5077992), wk = 0.0025773 k( 180) = ( 0.1046867 0.1046867 0.5085083), wk = 0.0025773 k( 181) = ( 0.1134106 0.1134106 0.5092173), wk = 0.0025773 k( 182) = ( 0.1221345 0.1221345 0.5099263), wk = 0.0025773 k( 183) = ( 0.1308584 0.1308584 0.5106353), wk = 0.0025773 k( 184) = ( 0.1395823 0.1395823 0.5113444), wk = 0.0025773 k( 185) = ( 0.1483062 0.1483062 0.5120534), wk = 0.0025773 k( 186) = ( 0.1570301 0.1570301 0.5127624), wk = 0.0025773 k( 187) = ( 0.1657540 0.1657540 0.5134714), wk = 0.0025773 k( 188) = ( 0.1744779 0.1744779 0.5141804), wk = 0.0025773 k( 189) = ( 0.1832018 0.1832018 0.5148895), wk = 0.0025773 k( 190) = ( 0.1919257 0.1919257 0.5155985), wk = 0.0025773 k( 191) = ( 0.2006496 0.2006496 0.5163075), wk = 0.0025773 k( 192) = ( 0.2093735 0.2093735 0.5170165), wk = 0.0025773 k( 193) = ( 0.2180974 0.2180974 0.5177255), wk = 0.0025773 k( 194) = ( 0.2268213 0.2268213 0.5184346), wk = 0.0025773 k( 195) = ( 0.2355451 0.2355451 0.5191436), wk = 0.0025773 k( 196) = ( 0.2442690 0.2442690 0.5198526), wk = 0.0025773 k( 197) = ( 0.2529929 0.2529929 0.5205616), wk = 0.0025773 k( 198) = ( 0.2617168 0.2617168 0.5212707), wk = 0.0025773 k( 199) = ( 0.2704407 0.2704407 0.5219797), wk = 0.0025773 k( 200) = ( 0.2791646 0.2791646 0.5226887), wk = 0.0025773 k( 201) = ( 0.2878885 0.2878885 0.5233977), wk = 0.0025773 k( 202) = ( 0.2966124 0.2966124 0.5241068), wk = 0.0025773 k( 203) = ( 0.3053363 0.3053363 0.5248158), wk = 0.0025773 k( 204) = ( 0.3140602 0.3140602 0.5255248), wk = 0.0025773 k( 205) = ( 0.3227841 0.3227841 0.5262338), wk = 0.0025773 k( 206) = ( 0.3315080 0.3315080 0.5269428), wk = 0.0025773 k( 207) = ( 0.3402319 0.3402319 0.5276519), wk = 0.0025773 k( 208) = ( 0.3489558 0.3489558 0.5283609), wk = 0.0025773 k( 209) = ( 0.3576797 0.3576797 0.5290699), wk = 0.0025773 k( 210) = ( 0.3664036 0.3664036 0.5297789), wk = 0.0025773 k( 211) = ( 0.3751274 0.3751274 0.5304879), wk = 0.0025773 k( 212) = ( 0.3838513 0.3838513 0.5311970), wk = 0.0025773 k( 213) = ( 0.3925752 0.3925752 0.5319060), wk = 0.0025773 k( 214) = ( 0.4012991 0.4012991 0.5326150), wk = 0.0025773 k( 215) = ( 0.4100230 0.4100230 0.5333240), wk = 0.0025773 k( 216) = ( 0.4187469 0.4187469 0.5340331), wk = 0.0025773 k( 217) = ( 0.4274708 0.4274708 0.5347421), wk = 0.0025773 k( 218) = ( 0.4361947 0.4361947 0.5354511), wk = 0.0025773 k( 219) = ( 0.4449186 0.4449186 0.5361601), wk = 0.0025773 k( 220) = ( 0.4536425 0.4536425 0.5368691), wk = 0.0025773 k( 221) = ( 0.4623664 0.4623664 0.5375782), wk = 0.0025773 k( 222) = ( 0.4710903 0.4710903 0.5382872), wk = 0.0025773 k( 223) = ( 0.4798142 0.4798142 0.5389962), wk = 0.0025773 k( 224) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025773 k( 225) = ( 0.5071221 0.4928779 0.0000000), wk = 0.0025773 k( 226) = ( 0.5142443 0.4857557 0.0000000), wk = 0.0025773 k( 227) = ( 0.5213664 0.4786336 0.0000000), wk = 0.0025773 k( 228) = ( 0.4786336 -0.4786336 0.0000000), wk = 0.0025773 k( 229) = ( 0.4703813 -0.4703813 0.0000000), wk = 0.0025773 k( 230) = ( 0.4621290 -0.4621290 0.0000000), wk = 0.0025773 k( 231) = ( 0.4538767 -0.4538767 0.0000000), wk = 0.0025773 k( 232) = ( 0.4456244 -0.4456244 0.0000000), wk = 0.0025773 k( 233) = ( 0.4373721 -0.4373721 -0.0000000), wk = 0.0025773 k( 234) = ( 0.4291198 -0.4291198 0.0000000), wk = 0.0025773 k( 235) = ( 0.4208674 -0.4208674 0.0000000), wk = 0.0025773 k( 236) = ( 0.4126151 -0.4126151 0.0000000), wk = 0.0025773 k( 237) = ( 0.4043628 -0.4043628 0.0000000), wk = 0.0025773 k( 238) = ( 0.3961105 -0.3961105 -0.0000000), wk = 0.0025773 k( 239) = ( 0.3878582 -0.3878582 0.0000000), wk = 0.0025773 k( 240) = ( 0.3796059 -0.3796059 0.0000000), wk = 0.0025773 k( 241) = ( 0.3713536 -0.3713536 0.0000000), wk = 0.0025773 k( 242) = ( 0.3631013 -0.3631013 0.0000000), wk = 0.0025773 k( 243) = ( 0.3548490 -0.3548490 0.0000000), wk = 0.0025773 k( 244) = ( 0.3465967 -0.3465967 0.0000000), wk = 0.0025773 k( 245) = ( 0.3383444 -0.3383444 0.0000000), wk = 0.0025773 k( 246) = ( 0.3300921 -0.3300921 0.0000000), wk = 0.0025773 k( 247) = ( 0.3218398 -0.3218398 0.0000000), wk = 0.0025773 k( 248) = ( 0.3135875 -0.3135875 0.0000000), wk = 0.0025773 k( 249) = ( 0.3053352 -0.3053352 -0.0000000), wk = 0.0025773 k( 250) = ( 0.2970829 -0.2970829 0.0000000), wk = 0.0025773 k( 251) = ( 0.2888306 -0.2888306 0.0000000), wk = 0.0025773 k( 252) = ( 0.2805783 -0.2805783 0.0000000), wk = 0.0025773 k( 253) = ( 0.2723260 -0.2723260 0.0000000), wk = 0.0025773 k( 254) = ( 0.2640737 -0.2640737 0.0000000), wk = 0.0025773 k( 255) = ( 0.2558214 -0.2558214 0.0000000), wk = 0.0025773 k( 256) = ( 0.2475691 -0.2475691 -0.0000000), wk = 0.0025773 k( 257) = ( 0.2393168 -0.2393168 0.0000000), wk = 0.0025773 k( 258) = ( 0.2310645 -0.2310645 0.0000000), wk = 0.0025773 k( 259) = ( 0.2228122 -0.2228122 0.0000000), wk = 0.0025773 k( 260) = ( 0.2145599 -0.2145599 0.0000000), wk = 0.0025773 k( 261) = ( 0.2063076 -0.2063076 -0.0000000), wk = 0.0025773 k( 262) = ( 0.1980553 -0.1980553 -0.0000000), wk = 0.0025773 k( 263) = ( 0.1898030 -0.1898030 -0.0000000), wk = 0.0025773 k( 264) = ( 0.1815507 -0.1815507 0.0000000), wk = 0.0025773 k( 265) = ( 0.1732984 -0.1732984 0.0000000), wk = 0.0025773 k( 266) = ( 0.1650461 -0.1650461 0.0000000), wk = 0.0025773 k( 267) = ( 0.1567938 -0.1567938 0.0000000), wk = 0.0025773 k( 268) = ( 0.1485414 -0.1485414 0.0000000), wk = 0.0025773 k( 269) = ( 0.1402892 -0.1402892 0.0000000), wk = 0.0025773 k( 270) = ( 0.1320369 -0.1320369 0.0000000), wk = 0.0025773 k( 271) = ( 0.1237845 -0.1237845 0.0000000), wk = 0.0025773 k( 272) = ( 0.1155322 -0.1155322 0.0000000), wk = 0.0025773 k( 273) = ( 0.1072799 -0.1072799 0.0000000), wk = 0.0025773 k( 274) = ( 0.0990276 -0.0990276 0.0000000), wk = 0.0025773 k( 275) = ( 0.0907753 -0.0907753 0.0000000), wk = 0.0025773 k( 276) = ( 0.0825230 -0.0825230 0.0000000), wk = 0.0025773 k( 277) = ( 0.0742707 -0.0742707 0.0000000), wk = 0.0025773 k( 278) = ( 0.0660184 -0.0660184 0.0000000), wk = 0.0025773 k( 279) = ( 0.0577661 -0.0577661 0.0000000), wk = 0.0025773 k( 280) = ( 0.0495138 -0.0495138 0.0000000), wk = 0.0025773 k( 281) = ( 0.0412615 -0.0412615 0.0000000), wk = 0.0025773 k( 282) = ( 0.0330092 -0.0330092 0.0000000), wk = 0.0025773 k( 283) = ( 0.0247569 -0.0247569 0.0000000), wk = 0.0025773 k( 284) = ( 0.0165046 -0.0165046 0.0000000), wk = 0.0025773 k( 285) = ( 0.0082523 -0.0082523 0.0000000), wk = 0.0025773 k( 286) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 287) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 288) = ( 0.0119048 0.0000000 0.0000000), wk = 0.0025773 k( 289) = ( 0.0238095 0.0000000 0.0000000), wk = 0.0025773 k( 290) = ( 0.0357143 0.0000000 0.0000000), wk = 0.0025773 k( 291) = ( 0.0476191 0.0000000 0.0000000), wk = 0.0025773 k( 292) = ( 0.0595238 0.0000000 0.0000000), wk = 0.0025773 k( 293) = ( 0.0714286 0.0000000 0.0000000), wk = 0.0025773 k( 294) = ( 0.0833333 0.0000000 0.0000000), wk = 0.0025773 k( 295) = ( 0.0952381 0.0000000 0.0000000), wk = 0.0025773 k( 296) = ( 0.1071429 0.0000000 0.0000000), wk = 0.0025773 k( 297) = ( 0.1190476 0.0000000 0.0000000), wk = 0.0025773 k( 298) = ( 0.1309524 0.0000000 0.0000000), wk = 0.0025773 k( 299) = ( 0.1428571 0.0000000 0.0000000), wk = 0.0025773 k( 300) = ( 0.1547619 0.0000000 0.0000000), wk = 0.0025773 k( 301) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0025773 k( 302) = ( 0.1785714 0.0000000 0.0000000), wk = 0.0025773 k( 303) = ( 0.1904762 0.0000000 0.0000000), wk = 0.0025773 k( 304) = ( 0.2023810 0.0000000 0.0000000), wk = 0.0025773 k( 305) = ( 0.2142857 0.0000000 0.0000000), wk = 0.0025773 k( 306) = ( 0.2261905 0.0000000 0.0000000), wk = 0.0025773 k( 307) = ( 0.2380952 0.0000000 0.0000000), wk = 0.0025773 k( 308) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0025773 k( 309) = ( 0.2619048 0.0000000 0.0000000), wk = 0.0025773 k( 310) = ( 0.2738095 0.0000000 0.0000000), wk = 0.0025773 k( 311) = ( 0.2857143 0.0000000 0.0000000), wk = 0.0025773 k( 312) = ( 0.2976190 0.0000000 0.0000000), wk = 0.0025773 k( 313) = ( 0.3095238 0.0000000 0.0000000), wk = 0.0025773 k( 314) = ( 0.3214286 0.0000000 0.0000000), wk = 0.0025773 k( 315) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0025773 k( 316) = ( 0.3452381 0.0000000 0.0000000), wk = 0.0025773 k( 317) = ( 0.3571429 0.0000000 0.0000000), wk = 0.0025773 k( 318) = ( 0.3690476 0.0000000 0.0000000), wk = 0.0025773 k( 319) = ( 0.3809524 0.0000000 0.0000000), wk = 0.0025773 k( 320) = ( 0.3928571 0.0000000 0.0000000), wk = 0.0025773 k( 321) = ( 0.4047619 0.0000000 0.0000000), wk = 0.0025773 k( 322) = ( 0.4166667 0.0000000 0.0000000), wk = 0.0025773 k( 323) = ( 0.4285714 0.0000000 0.0000000), wk = 0.0025773 k( 324) = ( 0.4404762 0.0000000 0.0000000), wk = 0.0025773 k( 325) = ( 0.4523810 0.0000000 0.0000000), wk = 0.0025773 k( 326) = ( 0.4642857 0.0000000 0.0000000), wk = 0.0025773 k( 327) = ( 0.4761905 0.0000000 0.0000000), wk = 0.0025773 k( 328) = ( 0.4880952 0.0000000 0.0000000), wk = 0.0025773 k( 329) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0025773 k( 330) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025773 k( 331) = ( 0.4913793 0.0000000 0.4913793), wk = 0.0025773 k( 332) = ( 0.4827586 0.0000000 0.4827586), wk = 0.0025773 k( 333) = ( 0.4741379 0.0000000 0.4741379), wk = 0.0025773 k( 334) = ( 0.4655172 0.0000000 0.4655172), wk = 0.0025773 k( 335) = ( 0.4568966 0.0000000 0.4568966), wk = 0.0025773 k( 336) = ( 0.4482759 0.0000000 0.4482759), wk = 0.0025773 k( 337) = ( 0.4396552 0.0000000 0.4396552), wk = 0.0025773 k( 338) = ( 0.4310345 0.0000000 0.4310345), wk = 0.0025773 k( 339) = ( 0.4224138 0.0000000 0.4224138), wk = 0.0025773 k( 340) = ( 0.4137931 0.0000000 0.4137931), wk = 0.0025773 k( 341) = ( 0.4051724 0.0000000 0.4051724), wk = 0.0025773 k( 342) = ( 0.3965517 0.0000000 0.3965517), wk = 0.0025773 k( 343) = ( 0.3879310 0.0000000 0.3879310), wk = 0.0025773 k( 344) = ( 0.3793103 0.0000000 0.3793103), wk = 0.0025773 k( 345) = ( 0.3706897 0.0000000 0.3706897), wk = 0.0025773 k( 346) = ( 0.3620690 0.0000000 0.3620690), wk = 0.0025773 k( 347) = ( 0.3534483 0.0000000 0.3534483), wk = 0.0025773 k( 348) = ( 0.3448276 0.0000000 0.3448276), wk = 0.0025773 k( 349) = ( 0.3362069 0.0000000 0.3362069), wk = 0.0025773 k( 350) = ( 0.3275862 0.0000000 0.3275862), wk = 0.0025773 k( 351) = ( 0.3189655 0.0000000 0.3189655), wk = 0.0025773 k( 352) = ( 0.3103448 0.0000000 0.3103448), wk = 0.0025773 k( 353) = ( 0.3017241 0.0000000 0.3017241), wk = 0.0025773 k( 354) = ( 0.2931034 0.0000000 0.2931034), wk = 0.0025773 k( 355) = ( 0.2844828 0.0000000 0.2844828), wk = 0.0025773 k( 356) = ( 0.2758621 0.0000000 0.2758621), wk = 0.0025773 k( 357) = ( 0.2672414 0.0000000 0.2672414), wk = 0.0025773 k( 358) = ( 0.2586207 0.0000000 0.2586207), wk = 0.0025773 k( 359) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0025773 k( 360) = ( 0.2413793 0.0000000 0.2413793), wk = 0.0025773 k( 361) = ( 0.2327586 0.0000000 0.2327586), wk = 0.0025773 k( 362) = ( 0.2241379 0.0000000 0.2241379), wk = 0.0025773 k( 363) = ( 0.2155172 0.0000000 0.2155172), wk = 0.0025773 k( 364) = ( 0.2068966 0.0000000 0.2068965), wk = 0.0025773 k( 365) = ( 0.1982759 0.0000000 0.1982759), wk = 0.0025773 k( 366) = ( 0.1896552 0.0000000 0.1896552), wk = 0.0025773 k( 367) = ( 0.1810345 0.0000000 0.1810345), wk = 0.0025773 k( 368) = ( 0.1724138 0.0000000 0.1724138), wk = 0.0025773 k( 369) = ( 0.1637931 0.0000000 0.1637931), wk = 0.0025773 k( 370) = ( 0.1551724 0.0000000 0.1551724), wk = 0.0025773 k( 371) = ( 0.1465517 0.0000000 0.1465517), wk = 0.0025773 k( 372) = ( 0.1379310 0.0000000 0.1379310), wk = 0.0025773 k( 373) = ( 0.1293103 0.0000000 0.1293103), wk = 0.0025773 k( 374) = ( 0.1206897 0.0000000 0.1206897), wk = 0.0025773 k( 375) = ( 0.1120690 0.0000000 0.1120690), wk = 0.0025773 k( 376) = ( 0.1034483 0.0000000 0.1034483), wk = 0.0025773 k( 377) = ( 0.0948276 0.0000000 0.0948276), wk = 0.0025773 k( 378) = ( 0.0862069 0.0000000 0.0862069), wk = 0.0025773 k( 379) = ( 0.0775862 0.0000000 0.0775862), wk = 0.0025773 k( 380) = ( 0.0689655 0.0000000 0.0689655), wk = 0.0025773 k( 381) = ( 0.0603448 0.0000000 0.0603448), wk = 0.0025773 k( 382) = ( 0.0517241 0.0000000 0.0517241), wk = 0.0025773 k( 383) = ( 0.0431035 0.0000000 0.0431035), wk = 0.0025773 k( 384) = ( 0.0344828 0.0000000 0.0344828), wk = 0.0025773 k( 385) = ( 0.0258621 0.0000000 0.0258621), wk = 0.0025773 k( 386) = ( 0.0172414 0.0000000 0.0172414), wk = 0.0025773 k( 387) = ( 0.0086207 0.0000000 0.0086207), wk = 0.0025773 k( 388) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 Dense grid: 36793 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 14479 G-vectors FFT dimensions: ( 32, 32, 30) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.03 Mb ( 86, 26) NL pseudopotentials 0.04 Mb ( 43, 62) Each V/rho on FFT grid 0.03 Mb ( 2025) Each G-vector array 0.01 Mb ( 768) G-vector shells 0.01 Mb ( 730) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.14 Mb ( 86, 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 41.0 secs Computing kpt #: 2 total cpu time spent up to now is 41.5 secs Computing kpt #: 3 total cpu time spent up to now is 42.0 secs Computing kpt #: 4 total cpu time spent up to now is 42.6 secs Computing kpt #: 5 total cpu time spent up to now is 43.1 secs Computing kpt #: 6 total cpu time spent up to now is 43.6 secs Computing kpt #: 7 total cpu time spent up to now is 44.1 secs Computing kpt #: 8 total cpu time spent up to now is 44.6 secs Computing kpt #: 9 total cpu time spent up to now is 45.0 secs Computing kpt #: 10 total cpu time spent up to now is 45.5 secs Computing kpt #: 11 total cpu time spent up to now is 46.0 secs Computing kpt #: 12 total cpu time spent up to now is 46.5 secs Computing kpt #: 13 total cpu time spent up to now is 46.9 secs Computing kpt #: 14 total cpu time spent up to now is 47.3 secs Computing kpt #: 15 total cpu time spent up to now is 47.7 secs Computing kpt #: 16 total cpu time spent up to now is 48.1 secs Computing kpt #: 17 total cpu time spent up to now is 48.6 secs Computing kpt #: 18 total cpu time spent up to now is 49.0 secs Computing kpt #: 19 total cpu time spent up to now is 49.4 secs Computing kpt #: 20 total cpu time spent up to now is 49.8 secs Computing kpt #: 21 total cpu time spent up to now is 50.2 secs Computing kpt #: 22 total cpu time spent up to now is 50.7 secs Computing kpt #: 23 total cpu time spent up to now is 51.1 secs Computing kpt #: 24 total cpu time spent up to now is 51.5 secs Computing kpt #: 25 total cpu time spent up to now is 52.0 secs Computing kpt #: 26 total cpu time spent up to now is 52.4 secs Computing kpt #: 27 total cpu time spent up to now is 52.9 secs Computing kpt #: 28 total cpu time spent up to now is 53.4 secs Computing kpt #: 29 total cpu time spent up to now is 53.9 secs Computing kpt #: 30 total cpu time spent up to now is 54.4 secs Computing kpt #: 31 total cpu time spent up to now is 55.0 secs Computing kpt #: 32 total cpu time spent up to now is 55.6 secs Computing kpt #: 33 total cpu time spent up to now is 56.3 secs Computing kpt #: 34 total cpu time spent up to now is 56.8 secs Computing kpt #: 35 total cpu time spent up to now is 57.3 secs Computing kpt #: 36 total cpu time spent up to now is 57.8 secs Computing kpt #: 37 total cpu time spent up to now is 58.3 secs Computing kpt #: 38 total cpu time spent up to now is 58.8 secs Computing kpt #: 39 total cpu time spent up to now is 59.1 secs Computing kpt #: 40 total cpu time spent up to now is 59.5 secs Computing kpt #: 41 total cpu time spent up to now is 59.9 secs Computing kpt #: 42 total cpu time spent up to now is 60.4 secs Computing kpt #: 43 total cpu time spent up to now is 60.9 secs Computing kpt #: 44 total cpu time spent up to now is 61.5 secs Computing kpt #: 45 total cpu time spent up to now is 62.0 secs Computing kpt #: 46 total cpu time spent up to now is 62.5 secs Computing kpt #: 47 total cpu time spent up to now is 63.0 secs Computing kpt #: 48 total cpu time spent up to now is 63.4 secs Computing kpt #: 49 total cpu time spent up to now is 63.8 secs Computing kpt #: 50 total cpu time spent up to now is 64.2 secs Computing kpt #: 51 total cpu time spent up to now is 64.6 secs Computing kpt #: 52 total cpu time spent up to now is 65.0 secs Computing kpt #: 53 total cpu time spent up to now is 65.3 secs Computing kpt #: 54 total cpu time spent up to now is 65.7 secs Computing kpt #: 55 total cpu time spent up to now is 66.1 secs Computing kpt #: 56 total cpu time spent up to now is 66.4 secs Computing kpt #: 57 total cpu time spent up to now is 66.8 secs Computing kpt #: 58 total cpu time spent up to now is 67.1 secs Computing kpt #: 59 total cpu time spent up to now is 67.5 secs Computing kpt #: 60 total cpu time spent up to now is 67.8 secs Computing kpt #: 61 total cpu time spent up to now is 68.1 secs Computing kpt #: 62 total cpu time spent up to now is 68.5 secs Computing kpt #: 63 total cpu time spent up to now is 68.8 secs Computing kpt #: 64 total cpu time spent up to now is 69.1 secs Computing kpt #: 65 total cpu time spent up to now is 69.4 secs Computing kpt #: 66 total cpu time spent up to now is 69.8 secs Computing kpt #: 67 total cpu time spent up to now is 70.1 secs Computing kpt #: 68 total cpu time spent up to now is 70.4 secs Computing kpt #: 69 total cpu time spent up to now is 70.8 secs Computing kpt #: 70 total cpu time spent up to now is 71.1 secs Computing kpt #: 71 total cpu time spent up to now is 71.4 secs Computing kpt #: 72 total cpu time spent up to now is 71.8 secs Computing kpt #: 73 total cpu time spent up to now is 72.1 secs Computing kpt #: 74 total cpu time spent up to now is 72.4 secs Computing kpt #: 75 total cpu time spent up to now is 72.8 secs Computing kpt #: 76 total cpu time spent up to now is 73.1 secs Computing kpt #: 77 total cpu time spent up to now is 73.5 secs Computing kpt #: 78 total cpu time spent up to now is 73.8 secs Computing kpt #: 79 total cpu time spent up to now is 74.1 secs Computing kpt #: 80 total cpu time spent up to now is 74.5 secs Computing kpt #: 81 total cpu time spent up to now is 74.9 secs Computing kpt #: 82 total cpu time spent up to now is 75.4 secs Computing kpt #: 83 total cpu time spent up to now is 75.7 secs Computing kpt #: 84 total cpu time spent up to now is 76.2 secs Computing kpt #: 85 total cpu time spent up to now is 76.5 secs Computing kpt #: 86 total cpu time spent up to now is 76.9 secs Computing kpt #: 87 total cpu time spent up to now is 77.2 secs Computing kpt #: 88 total cpu time spent up to now is 77.6 secs Computing kpt #: 89 total cpu time spent up to now is 77.9 secs Computing kpt #: 90 total cpu time spent up to now is 78.3 secs Computing kpt #: 91 total cpu time spent up to now is 78.6 secs Computing kpt #: 92 total cpu time spent up to now is 79.0 secs Computing kpt #: 93 total cpu time spent up to now is 79.9 secs Computing kpt #: 94 total cpu time spent up to now is 80.8 secs Computing kpt #: 95 total cpu time spent up to now is 81.2 secs Computing kpt #: 96 total cpu time spent up to now is 81.6 secs Computing kpt #: 97 total cpu time spent up to now is 82.0 secs Computing kpt #: 98 total cpu time spent up to now is 82.5 secs Computing kpt #: 99 total cpu time spent up to now is 82.9 secs Computing kpt #: 100 total cpu time spent up to now is 83.3 secs Computing kpt #: 101 total cpu time spent up to now is 83.7 secs Computing kpt #: 102 total cpu time spent up to now is 84.0 secs Computing kpt #: 103 total cpu time spent up to now is 84.5 secs Computing kpt #: 104 total cpu time spent up to now is 84.9 secs Computing kpt #: 105 total cpu time spent up to now is 85.3 secs Computing kpt #: 106 total cpu time spent up to now is 85.8 secs Computing kpt #: 107 total cpu time spent up to now is 86.2 secs Computing kpt #: 108 total cpu time spent up to now is 86.6 secs Computing kpt #: 109 total cpu time spent up to now is 87.1 secs Computing kpt #: 110 total cpu time spent up to now is 87.5 secs Computing kpt #: 111 total cpu time spent up to now is 87.9 secs Computing kpt #: 112 total cpu time spent up to now is 88.3 secs Computing kpt #: 113 total cpu time spent up to now is 88.8 secs Computing kpt #: 114 total cpu time spent up to now is 89.2 secs Computing kpt #: 115 total cpu time spent up to now is 89.7 secs Computing kpt #: 116 total cpu time spent up to now is 90.2 secs Computing kpt #: 117 total cpu time spent up to now is 90.8 secs Computing kpt #: 118 total cpu time spent up to now is 91.3 secs Computing kpt #: 119 total cpu time spent up to now is 91.8 secs Computing kpt #: 120 total cpu time spent up to now is 92.2 secs Computing kpt #: 121 total cpu time spent up to now is 92.8 secs Computing kpt #: 122 total cpu time spent up to now is 93.1 secs Computing kpt #: 123 total cpu time spent up to now is 93.8 secs Computing kpt #: 124 total cpu time spent up to now is 94.5 secs Computing kpt #: 125 total cpu time spent up to now is 95.0 secs Computing kpt #: 126 total cpu time spent up to now is 95.4 secs Computing kpt #: 127 total cpu time spent up to now is 96.1 secs Computing kpt #: 128 total cpu time spent up to now is 96.6 secs Computing kpt #: 129 total cpu time spent up to now is 97.0 secs Computing kpt #: 130 total cpu time spent up to now is 97.6 secs Computing kpt #: 131 total cpu time spent up to now is 98.0 secs Computing kpt #: 132 total cpu time spent up to now is 98.4 secs Computing kpt #: 133 total cpu time spent up to now is 98.9 secs Computing kpt #: 134 total cpu time spent up to now is 99.4 secs Computing kpt #: 135 total cpu time spent up to now is 99.8 secs Computing kpt #: 136 total cpu time spent up to now is 100.2 secs Computing kpt #: 137 total cpu time spent up to now is 101.1 secs Computing kpt #: 138 total cpu time spent up to now is 101.7 secs Computing kpt #: 139 total cpu time spent up to now is 102.2 secs Computing kpt #: 140 total cpu time spent up to now is 103.0 secs Computing kpt #: 141 total cpu time spent up to now is 103.4 secs Computing kpt #: 142 total cpu time spent up to now is 103.8 secs Computing kpt #: 143 total cpu time spent up to now is 104.2 secs Computing kpt #: 144 total cpu time spent up to now is 104.5 secs Computing kpt #: 145 total cpu time spent up to now is 105.0 secs Computing kpt #: 146 total cpu time spent up to now is 105.6 secs Computing kpt #: 147 total cpu time spent up to now is 106.0 secs Computing kpt #: 148 total cpu time spent up to now is 106.4 secs Computing kpt #: 149 total cpu time spent up to now is 106.9 secs Computing kpt #: 150 total cpu time spent up to now is 107.4 secs Computing kpt #: 151 total cpu time spent up to now is 107.8 secs Computing kpt #: 152 total cpu time spent up to now is 108.3 secs Computing kpt #: 153 total cpu time spent up to now is 108.7 secs Computing kpt #: 154 total cpu time spent up to now is 109.1 secs Computing kpt #: 155 total cpu time spent up to now is 109.6 secs Computing kpt #: 156 total cpu time spent up to now is 110.0 secs Computing kpt #: 157 total cpu time spent up to now is 110.4 secs Computing kpt #: 158 total cpu time spent up to now is 110.8 secs Computing kpt #: 159 total cpu time spent up to now is 111.2 secs Computing kpt #: 160 total cpu time spent up to now is 111.5 secs Computing kpt #: 161 total cpu time spent up to now is 112.0 secs Computing kpt #: 162 total cpu time spent up to now is 112.4 secs Computing kpt #: 163 total cpu time spent up to now is 112.8 secs Computing kpt #: 164 total cpu time spent up to now is 113.3 secs Computing kpt #: 165 total cpu time spent up to now is 113.6 secs Computing kpt #: 166 total cpu time spent up to now is 114.0 secs Computing kpt #: 167 total cpu time spent up to now is 114.4 secs Computing kpt #: 168 total cpu time spent up to now is 114.7 secs Computing kpt #: 169 total cpu time spent up to now is 115.2 secs Computing kpt #: 170 total cpu time spent up to now is 115.5 secs Computing kpt #: 171 total cpu time spent up to now is 115.9 secs Computing kpt #: 172 total cpu time spent up to now is 116.2 secs Computing kpt #: 173 total cpu time spent up to now is 116.5 secs Computing kpt #: 174 total cpu time spent up to now is 116.9 secs Computing kpt #: 175 total cpu time spent up to now is 117.3 secs Computing kpt #: 176 total cpu time spent up to now is 117.7 secs Computing kpt #: 177 total cpu time spent up to now is 118.0 secs Computing kpt #: 178 total cpu time spent up to now is 118.4 secs Computing kpt #: 179 total cpu time spent up to now is 118.9 secs Computing kpt #: 180 total cpu time spent up to now is 119.2 secs Computing kpt #: 181 total cpu time spent up to now is 119.8 secs Computing kpt #: 182 total cpu time spent up to now is 120.2 secs Computing kpt #: 183 total cpu time spent up to now is 120.7 secs Computing kpt #: 184 total cpu time spent up to now is 121.2 secs Computing kpt #: 185 total cpu time spent up to now is 121.7 secs Computing kpt #: 186 total cpu time spent up to now is 122.0 secs Computing kpt #: 187 total cpu time spent up to now is 122.4 secs Computing kpt #: 188 total cpu time spent up to now is 122.7 secs Computing kpt #: 189 total cpu time spent up to now is 123.3 secs Computing kpt #: 190 total cpu time spent up to now is 123.7 secs Computing kpt #: 191 total cpu time spent up to now is 124.2 secs Computing kpt #: 192 total cpu time spent up to now is 124.5 secs Computing kpt #: 193 total cpu time spent up to now is 124.9 secs Computing kpt #: 194 total cpu time spent up to now is 125.3 secs Computing kpt #: 195 total cpu time spent up to now is 125.7 secs Computing kpt #: 196 total cpu time spent up to now is 126.1 secs Computing kpt #: 197 total cpu time spent up to now is 126.6 secs Computing kpt #: 198 total cpu time spent up to now is 126.9 secs Computing kpt #: 199 total cpu time spent up to now is 127.3 secs Computing kpt #: 200 total cpu time spent up to now is 127.7 secs Computing kpt #: 201 total cpu time spent up to now is 128.1 secs Computing kpt #: 202 total cpu time spent up to now is 128.4 secs Computing kpt #: 203 total cpu time spent up to now is 128.8 secs Computing kpt #: 204 total cpu time spent up to now is 129.2 secs Computing kpt #: 205 total cpu time spent up to now is 129.5 secs Computing kpt #: 206 total cpu time spent up to now is 129.9 secs Computing kpt #: 207 total cpu time spent up to now is 130.3 secs Computing kpt #: 208 total cpu time spent up to now is 130.6 secs Computing kpt #: 209 total cpu time spent up to now is 131.1 secs Computing kpt #: 210 total cpu time spent up to now is 131.9 secs Computing kpt #: 211 total cpu time spent up to now is 132.7 secs Computing kpt #: 212 total cpu time spent up to now is 133.4 secs Computing kpt #: 213 total cpu time spent up to now is 134.0 secs Computing kpt #: 214 total cpu time spent up to now is 134.4 secs Computing kpt #: 215 total cpu time spent up to now is 134.9 secs Computing kpt #: 216 total cpu time spent up to now is 135.2 secs Computing kpt #: 217 total cpu time spent up to now is 135.7 secs Computing kpt #: 218 total cpu time spent up to now is 136.2 secs Computing kpt #: 219 total cpu time spent up to now is 136.5 secs Computing kpt #: 220 total cpu time spent up to now is 137.0 secs Computing kpt #: 221 total cpu time spent up to now is 137.4 secs Computing kpt #: 222 total cpu time spent up to now is 137.8 secs Computing kpt #: 223 total cpu time spent up to now is 138.3 secs Computing kpt #: 224 total cpu time spent up to now is 138.6 secs Computing kpt #: 225 total cpu time spent up to now is 139.8 secs Computing kpt #: 226 total cpu time spent up to now is 140.2 secs Computing kpt #: 227 total cpu time spent up to now is 140.5 secs Computing kpt #: 228 total cpu time spent up to now is 140.9 secs Computing kpt #: 229 total cpu time spent up to now is 141.3 secs Computing kpt #: 230 total cpu time spent up to now is 141.6 secs Computing kpt #: 231 total cpu time spent up to now is 142.0 secs Computing kpt #: 232 total cpu time spent up to now is 142.4 secs Computing kpt #: 233 total cpu time spent up to now is 142.9 secs Computing kpt #: 234 total cpu time spent up to now is 143.3 secs Computing kpt #: 235 total cpu time spent up to now is 143.9 secs Computing kpt #: 236 total cpu time spent up to now is 144.4 secs Computing kpt #: 237 total cpu time spent up to now is 144.9 secs Computing kpt #: 238 total cpu time spent up to now is 145.4 secs Computing kpt #: 239 total cpu time spent up to now is 145.8 secs Computing kpt #: 240 total cpu time spent up to now is 146.1 secs Computing kpt #: 241 total cpu time spent up to now is 146.6 secs Computing kpt #: 242 total cpu time spent up to now is 146.9 secs Computing kpt #: 243 total cpu time spent up to now is 147.3 secs Computing kpt #: 244 total cpu time spent up to now is 147.7 secs Computing kpt #: 245 total cpu time spent up to now is 148.0 secs Computing kpt #: 246 total cpu time spent up to now is 148.5 secs Computing kpt #: 247 total cpu time spent up to now is 149.1 secs Computing kpt #: 248 total cpu time spent up to now is 149.5 secs Computing kpt #: 249 total cpu time spent up to now is 149.9 secs Computing kpt #: 250 total cpu time spent up to now is 150.2 secs Computing kpt #: 251 total cpu time spent up to now is 150.6 secs Computing kpt #: 252 total cpu time spent up to now is 150.9 secs Computing kpt #: 253 total cpu time spent up to now is 151.4 secs Computing kpt #: 254 total cpu time spent up to now is 151.8 secs Computing kpt #: 255 total cpu time spent up to now is 152.1 secs Computing kpt #: 256 total cpu time spent up to now is 152.5 secs Computing kpt #: 257 total cpu time spent up to now is 152.8 secs Computing kpt #: 258 total cpu time spent up to now is 153.2 secs Computing kpt #: 259 total cpu time spent up to now is 153.7 secs Computing kpt #: 260 total cpu time spent up to now is 154.3 secs Computing kpt #: 261 total cpu time spent up to now is 154.7 secs Computing kpt #: 262 total cpu time spent up to now is 155.0 secs Computing kpt #: 263 total cpu time spent up to now is 155.4 secs Computing kpt #: 264 total cpu time spent up to now is 155.8 secs Computing kpt #: 265 total cpu time spent up to now is 156.1 secs Computing kpt #: 266 total cpu time spent up to now is 156.5 secs Computing kpt #: 267 total cpu time spent up to now is 156.9 secs Computing kpt #: 268 total cpu time spent up to now is 157.3 secs Computing kpt #: 269 total cpu time spent up to now is 157.7 secs Computing kpt #: 270 total cpu time spent up to now is 158.2 secs Computing kpt #: 271 total cpu time spent up to now is 158.6 secs Computing kpt #: 272 total cpu time spent up to now is 159.1 secs Computing kpt #: 273 total cpu time spent up to now is 159.7 secs Computing kpt #: 274 total cpu time spent up to now is 160.4 secs Computing kpt #: 275 total cpu time spent up to now is 160.9 secs Computing kpt #: 276 total cpu time spent up to now is 161.3 secs Computing kpt #: 277 total cpu time spent up to now is 161.8 secs Computing kpt #: 278 total cpu time spent up to now is 162.3 secs Computing kpt #: 279 total cpu time spent up to now is 162.8 secs Computing kpt #: 280 total cpu time spent up to now is 163.3 secs Computing kpt #: 281 total cpu time spent up to now is 163.8 secs Computing kpt #: 282 total cpu time spent up to now is 164.3 secs Computing kpt #: 283 total cpu time spent up to now is 164.8 secs Computing kpt #: 284 total cpu time spent up to now is 165.3 secs Computing kpt #: 285 total cpu time spent up to now is 165.8 secs Computing kpt #: 286 total cpu time spent up to now is 166.4 secs Computing kpt #: 287 total cpu time spent up to now is 166.8 secs Computing kpt #: 288 total cpu time spent up to now is 167.4 secs Computing kpt #: 289 total cpu time spent up to now is 167.9 secs Computing kpt #: 290 total cpu time spent up to now is 168.4 secs Computing kpt #: 291 total cpu time spent up to now is 168.9 secs Computing kpt #: 292 total cpu time spent up to now is 169.4 secs Computing kpt #: 293 total cpu time spent up to now is 169.8 secs Computing kpt #: 294 total cpu time spent up to now is 170.3 secs Computing kpt #: 295 total cpu time spent up to now is 170.8 secs Computing kpt #: 296 total cpu time spent up to now is 171.3 secs Computing kpt #: 297 total cpu time spent up to now is 171.8 secs Computing kpt #: 298 total cpu time spent up to now is 172.2 secs Computing kpt #: 299 total cpu time spent up to now is 172.7 secs Computing kpt #: 300 total cpu time spent up to now is 173.1 secs Computing kpt #: 301 total cpu time spent up to now is 173.6 secs Computing kpt #: 302 total cpu time spent up to now is 174.0 secs Computing kpt #: 303 total cpu time spent up to now is 174.3 secs Computing kpt #: 304 total cpu time spent up to now is 174.7 secs Computing kpt #: 305 total cpu time spent up to now is 175.1 secs Computing kpt #: 306 total cpu time spent up to now is 175.4 secs Computing kpt #: 307 total cpu time spent up to now is 175.7 secs Computing kpt #: 308 total cpu time spent up to now is 176.1 secs Computing kpt #: 309 total cpu time spent up to now is 176.4 secs Computing kpt #: 310 total cpu time spent up to now is 176.7 secs Computing kpt #: 311 total cpu time spent up to now is 177.1 secs Computing kpt #: 312 total cpu time spent up to now is 177.4 secs Computing kpt #: 313 total cpu time spent up to now is 177.7 secs Computing kpt #: 314 total cpu time spent up to now is 178.1 secs Computing kpt #: 315 total cpu time spent up to now is 178.4 secs Computing kpt #: 316 total cpu time spent up to now is 178.7 secs Computing kpt #: 317 total cpu time spent up to now is 179.1 secs Computing kpt #: 318 total cpu time spent up to now is 179.4 secs Computing kpt #: 319 total cpu time spent up to now is 179.8 secs Computing kpt #: 320 total cpu time spent up to now is 180.1 secs Computing kpt #: 321 total cpu time spent up to now is 180.4 secs Computing kpt #: 322 total cpu time spent up to now is 180.7 secs Computing kpt #: 323 total cpu time spent up to now is 181.0 secs Computing kpt #: 324 total cpu time spent up to now is 181.3 secs Computing kpt #: 325 total cpu time spent up to now is 181.6 secs Computing kpt #: 326 total cpu time spent up to now is 182.0 secs Computing kpt #: 327 total cpu time spent up to now is 182.3 secs Computing kpt #: 328 total cpu time spent up to now is 182.6 secs Computing kpt #: 329 total cpu time spent up to now is 183.0 secs Computing kpt #: 330 total cpu time spent up to now is 183.3 secs Computing kpt #: 331 total cpu time spent up to now is 183.7 secs Computing kpt #: 332 total cpu time spent up to now is 184.1 secs Computing kpt #: 333 total cpu time spent up to now is 184.4 secs Computing kpt #: 334 total cpu time spent up to now is 184.8 secs Computing kpt #: 335 total cpu time spent up to now is 185.1 secs Computing kpt #: 336 total cpu time spent up to now is 185.5 secs Computing kpt #: 337 total cpu time spent up to now is 185.9 secs Computing kpt #: 338 total cpu time spent up to now is 186.2 secs Computing kpt #: 339 total cpu time spent up to now is 186.6 secs Computing kpt #: 340 total cpu time spent up to now is 186.9 secs Computing kpt #: 341 total cpu time spent up to now is 187.3 secs Computing kpt #: 342 total cpu time spent up to now is 187.6 secs Computing kpt #: 343 total cpu time spent up to now is 188.0 secs Computing kpt #: 344 total cpu time spent up to now is 188.4 secs Computing kpt #: 345 total cpu time spent up to now is 188.8 secs Computing kpt #: 346 total cpu time spent up to now is 189.2 secs Computing kpt #: 347 total cpu time spent up to now is 189.6 secs Computing kpt #: 348 total cpu time spent up to now is 190.1 secs Computing kpt #: 349 total cpu time spent up to now is 190.5 secs Computing kpt #: 350 total cpu time spent up to now is 191.0 secs Computing kpt #: 351 total cpu time spent up to now is 191.4 secs Computing kpt #: 352 total cpu time spent up to now is 192.0 secs Computing kpt #: 353 total cpu time spent up to now is 192.5 secs Computing kpt #: 354 total cpu time spent up to now is 192.9 secs Computing kpt #: 355 total cpu time spent up to now is 193.3 secs Computing kpt #: 356 total cpu time spent up to now is 193.7 secs Computing kpt #: 357 total cpu time spent up to now is 194.2 secs Computing kpt #: 358 total cpu time spent up to now is 194.6 secs Computing kpt #: 359 total cpu time spent up to now is 195.0 secs Computing kpt #: 360 total cpu time spent up to now is 195.5 secs Computing kpt #: 361 total cpu time spent up to now is 196.0 secs Computing kpt #: 362 total cpu time spent up to now is 196.5 secs Computing kpt #: 363 total cpu time spent up to now is 196.9 secs Computing kpt #: 364 total cpu time spent up to now is 197.2 secs Computing kpt #: 365 total cpu time spent up to now is 197.6 secs Computing kpt #: 366 total cpu time spent up to now is 198.0 secs Computing kpt #: 367 total cpu time spent up to now is 198.3 secs Computing kpt #: 368 total cpu time spent up to now is 198.7 secs Computing kpt #: 369 total cpu time spent up to now is 199.1 secs Computing kpt #: 370 total cpu time spent up to now is 199.4 secs Computing kpt #: 371 total cpu time spent up to now is 199.8 secs Computing kpt #: 372 total cpu time spent up to now is 200.2 secs Computing kpt #: 373 total cpu time spent up to now is 200.5 secs Computing kpt #: 374 total cpu time spent up to now is 201.0 secs Computing kpt #: 375 total cpu time spent up to now is 201.5 secs Computing kpt #: 376 total cpu time spent up to now is 201.9 secs Computing kpt #: 377 total cpu time spent up to now is 202.4 secs Computing kpt #: 378 total cpu time spent up to now is 202.8 secs Computing kpt #: 379 total cpu time spent up to now is 203.3 secs Computing kpt #: 380 total cpu time spent up to now is 203.8 secs Computing kpt #: 381 total cpu time spent up to now is 204.3 secs Computing kpt #: 382 total cpu time spent up to now is 204.7 secs Computing kpt #: 383 total cpu time spent up to now is 205.2 secs Computing kpt #: 384 total cpu time spent up to now is 205.7 secs Computing kpt #: 385 total cpu time spent up to now is 206.2 secs Computing kpt #: 386 total cpu time spent up to now is 206.7 secs Computing kpt #: 387 total cpu time spent up to now is 207.2 secs Computing kpt #: 388 total cpu time spent up to now is 207.9 secs ethr = 5.56E-11, avg # of iterations = 31.1 total cpu time spent up to now is 208.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1821 PWs) bands (ev): -25.7494 -25.7494 -15.0097 -15.0097 -9.3283 -9.3283 -9.0813 -9.0813 -9.0299 -9.0299 -0.6690 -0.6690 -0.4367 -0.4367 -0.3639 -0.3639 0.5597 0.5597 7.6868 7.6868 7.7086 7.7086 10.1274 10.1274 11.9624 11.9624 k = 0.0086 0.0082-0.0007 ( 1823 PWs) bands (ev): -25.7493 -25.7493 -15.0097 -15.0097 -9.3284 -9.3284 -9.0813 -9.0813 -9.0300 -9.0299 -0.6710 -0.6705 -0.4373 -0.4372 -0.3643 -0.3635 0.5616 0.5619 7.6885 7.6886 7.7107 7.7107 10.1267 10.1267 11.9617 11.9617 k = 0.0172 0.0165-0.0014 ( 1817 PWs) bands (ev): -25.7492 -25.7492 -15.0096 -15.0096 -9.3287 -9.3286 -9.0816 -9.0816 -9.0303 -9.0302 -0.6764 -0.6753 -0.4390 -0.4389 -0.3645 -0.3631 0.5675 0.5681 7.6937 7.6938 7.7168 7.7168 10.1245 10.1246 11.9597 11.9598 k = 0.0259 0.0247-0.0021 ( 1819 PWs) bands (ev): -25.7491 -25.7491 -15.0095 -15.0094 -9.3291 -9.3290 -9.0820 -9.0820 -9.0308 -9.0307 -0.6851 -0.6835 -0.4419 -0.4417 -0.3647 -0.3626 0.5772 0.5781 7.7023 7.7025 7.7269 7.7269 10.1208 10.1210 11.9562 11.9565 k = 0.0345 0.0329-0.0028 ( 1824 PWs) bands (ev): -25.7489 -25.7489 -15.0093 -15.0092 -9.3297 -9.3296 -9.0825 -9.0825 -9.0315 -9.0314 -0.6968 -0.6948 -0.4459 -0.4456 -0.3647 -0.3621 0.5907 0.5918 7.7143 7.7146 7.7411 7.7411 10.1156 10.1158 11.9495 11.9502 k = 0.0431 0.0411-0.0036 ( 1826 PWs) bands (ev): -25.7486 -25.7486 -15.0090 -15.0089 -9.3304 -9.3303 -9.0832 -9.0832 -9.0324 -9.0322 -0.7113 -0.7089 -0.4509 -0.4506 -0.3647 -0.3616 0.6075 0.6089 7.7297 7.7301 7.7592 7.7592 10.1088 10.1090 11.9343 11.9352 k = 0.0517 0.0494-0.0043 ( 1826 PWs) bands (ev): -25.7483 -25.7483 -15.0086 -15.0086 -9.3313 -9.3312 -9.0841 -9.0841 -9.0334 -9.0332 -0.7281 -0.7255 -0.4570 -0.4567 -0.3646 -0.3611 0.6274 0.6290 7.7485 7.7490 7.7813 7.7813 10.1002 10.1005 11.9145 11.9156 k = 0.0603 0.0576-0.0050 ( 1826 PWs) bands (ev): -25.7479 -25.7479 -15.0082 -15.0081 -9.3325 -9.3323 -9.0852 -9.0852 -9.0347 -9.0343 -0.7469 -0.7442 -0.4641 -0.4638 -0.3643 -0.3607 0.6500 0.6518 7.7706 7.7712 7.8073 7.8073 10.0898 10.0902 11.8920 11.8931 k = 0.0690 0.0658-0.0057 ( 1826 PWs) bands (ev): -25.7474 -25.7474 -15.0077 -15.0076 -9.3337 -9.3335 -9.0865 -9.0864 -9.0360 -9.0356 -0.7675 -0.7647 -0.4722 -0.4719 -0.3640 -0.3601 0.6750 0.6769 7.7960 7.7966 7.8370 7.8370 10.0775 10.0779 11.8673 11.8686 k = 0.0776 0.0741-0.0064 ( 1824 PWs) bands (ev): -25.7469 -25.7469 -15.0071 -15.0070 -9.3352 -9.3349 -9.0879 -9.0878 -9.0375 -9.0370 -0.7895 -0.7867 -0.4813 -0.4810 -0.3636 -0.3597 0.7020 0.7039 7.8245 7.8252 7.8705 7.8705 10.0631 10.0636 11.8410 11.8423 k = 0.0862 0.0823-0.0071 ( 1824 PWs) bands (ev): -25.7463 -25.7463 -15.0064 -15.0064 -9.3369 -9.3365 -9.0896 -9.0894 -9.0392 -9.0385 -0.8126 -0.8098 -0.4913 -0.4910 -0.3631 -0.3592 0.7306 0.7326 7.8560 7.8568 7.9076 7.9076 10.0466 10.0471 11.8136 11.8150 k = 0.0948 0.0905-0.0078 ( 1820 PWs) bands (ev): -25.7457 -25.7457 -15.0057 -15.0056 -9.3387 -9.3383 -9.0914 -9.0912 -9.0409 -9.0400 -0.8364 -0.8337 -0.5021 -0.5019 -0.3626 -0.3586 0.7605 0.7626 7.8906 7.8914 7.9482 7.9482 10.0277 10.0283 11.7857 11.7872 k = 0.1034 0.0988-0.0085 ( 1819 PWs) bands (ev): -25.7450 -25.7450 -15.0049 -15.0048 -9.3408 -9.3403 -9.0935 -9.0933 -9.0427 -9.0416 -0.8608 -0.8581 -0.5138 -0.5136 -0.3619 -0.3580 0.7914 0.7935 7.9279 7.9289 7.9922 7.9922 10.0064 10.0070 11.7577 11.7593 k = 0.1121 0.1070-0.0093 ( 1819 PWs) bands (ev): -25.7443 -25.7443 -15.0040 -15.0040 -9.3431 -9.3424 -9.0959 -9.0956 -9.0446 -9.0433 -0.8855 -0.8829 -0.5263 -0.5261 -0.3612 -0.3574 0.8230 0.8251 7.9680 7.9690 8.0395 8.0396 9.9827 9.9834 11.7302 11.7318 k = 0.1207 0.1152-0.0100 ( 1817 PWs) bands (ev): -25.7435 -25.7435 -15.0031 -15.0030 -9.3456 -9.3448 -9.0985 -9.0981 -9.0464 -9.0449 -0.9103 -0.9077 -0.5394 -0.5392 -0.3604 -0.3567 0.8551 0.8572 8.0105 8.0116 8.0900 8.0901 9.9566 9.9573 11.7037 11.7053 k = 0.1293 0.1234-0.0107 ( 1820 PWs) bands (ev): -25.7427 -25.7427 -15.0021 -15.0020 -9.3483 -9.3474 -9.1015 -9.1009 -9.0483 -9.0465 -0.9350 -0.9325 -0.5532 -0.5530 -0.3595 -0.3559 0.8874 0.8894 8.0554 8.0566 8.1435 8.1436 9.9280 9.9287 11.6785 11.6801 k = 0.1379 0.1317-0.0114 ( 1820 PWs) bands (ev): -25.7418 -25.7418 -15.0009 -15.0009 -9.3512 -9.3502 -9.1047 -9.1040 -9.0502 -9.0481 -0.9593 -0.9569 -0.5675 -0.5674 -0.3584 -0.3550 0.9196 0.9217 8.1024 8.1036 8.1999 8.2000 9.8971 9.8979 11.6552 11.6568 k = 0.1466 0.1399-0.0121 ( 1824 PWs) bands (ev): -25.7410 -25.7410 -14.9998 -14.9997 -9.3544 -9.3532 -9.1082 -9.1074 -9.0520 -9.0496 -0.9832 -0.9808 -0.5824 -0.5823 -0.3574 -0.3541 0.9516 0.9536 8.1512 8.1524 8.2591 8.2591 9.8642 9.8650 11.6340 11.6356 k = 0.1552 0.1481-0.0128 ( 1826 PWs) bands (ev): -25.7400 -25.7400 -14.9985 -14.9985 -9.3577 -9.3564 -9.1120 -9.1111 -9.0537 -9.0510 -1.0065 -1.0042 -0.5978 -0.5977 -0.3562 -0.3531 0.9833 0.9852 8.2014 8.2028 8.3207 8.3208 9.8294 9.8303 11.6153 11.6169 k = 0.1638 0.1564-0.0135 ( 1824 PWs) bands (ev): -25.7391 -25.7391 -14.9972 -14.9971 -9.3613 -9.3597 -9.1162 -9.1151 -9.0553 -9.0523 -1.0291 -1.0268 -0.6136 -0.6135 -0.3548 -0.3519 1.0144 1.0163 8.2527 8.2541 8.3848 8.3849 9.7932 9.7942 11.5994 11.6009 k = 0.1724 0.1646-0.0142 ( 1821 PWs) bands (ev): -25.7381 -25.7381 -14.9957 -14.9957 -9.3650 -9.3633 -9.1206 -9.1194 -9.0568 -9.0535 -1.0508 -1.0486 -0.6297 -0.6296 -0.3534 -0.3506 1.0447 1.0466 8.3046 8.3061 8.4511 8.4512 9.7561 9.7571 11.5864 11.5880 k = 0.1810 0.1728-0.0150 ( 1820 PWs) bands (ev): -25.7370 -25.7370 -14.9942 -14.9942 -9.3690 -9.3671 -9.1253 -9.1241 -9.0582 -9.0545 -1.0717 -1.0696 -0.6461 -0.6460 -0.3518 -0.3491 1.0742 1.0760 8.3565 8.3580 8.5194 8.5194 9.7188 9.7198 11.5767 11.5782 k = 0.1897 0.1810-0.0157 ( 1818 PWs) bands (ev): -25.7360 -25.7360 -14.9927 -14.9926 -9.3731 -9.3711 -9.1304 -9.1290 -9.0594 -9.0555 -1.0916 -1.0895 -0.6627 -0.6626 -0.3501 -0.3475 1.1027 1.1045 8.4075 8.4090 8.5894 8.5895 9.6821 9.6831 11.5703 11.5717 k = 0.1983 0.1893-0.0164 ( 1816 PWs) bands (ev): -25.7349 -25.7349 -14.9910 -14.9909 -9.3775 -9.3753 -9.1357 -9.1342 -9.0605 -9.0563 -1.1105 -1.1084 -0.6795 -0.6794 -0.3482 -0.3458 1.1302 1.1319 8.4568 8.4583 8.6611 8.6612 9.6470 9.6480 11.5674 11.5688 k = 0.2069 0.1975-0.0171 ( 1815 PWs) bands (ev): -25.7338 -25.7338 -14.9893 -14.9892 -9.3820 -9.3797 -9.1412 -9.1397 -9.0615 -9.0571 -1.1283 -1.1262 -0.6964 -0.6963 -0.3462 -0.3439 1.1564 1.1580 8.5031 8.5046 8.7341 8.7343 9.6148 9.6159 11.5682 11.5695 k = 0.2155 0.2057-0.0178 ( 1817 PWs) bands (ev): -25.7327 -25.7327 -14.9875 -14.9874 -9.3867 -9.3842 -9.1471 -9.1455 -9.0623 -9.0577 -1.1449 -1.1429 -0.7133 -0.7133 -0.3441 -0.3419 1.1814 1.1829 8.5449 8.5464 8.8083 8.8084 9.5871 9.5881 11.5726 11.5739 k = 0.2241 0.2140-0.0185 ( 1819 PWs) bands (ev): -25.7316 -25.7316 -14.9856 -14.9855 -9.3916 -9.3889 -9.1531 -9.1515 -9.0630 -9.0582 -1.1605 -1.1585 -0.7303 -0.7302 -0.3418 -0.3398 1.2050 1.2065 8.5807 8.5822 8.8832 8.8833 9.5656 9.5665 11.5810 11.5821 k = 0.2328 0.2222-0.0192 ( 1819 PWs) bands (ev): -25.7305 -25.7305 -14.9837 -14.9836 -9.3966 -9.3938 -9.1593 -9.1577 -9.0636 -9.0586 -1.1748 -1.1728 -0.7472 -0.7472 -0.3394 -0.3375 1.2272 1.2286 8.6087 8.6100 8.9588 8.9589 9.5521 9.5530 11.5932 11.5943 k = 0.2414 0.2304-0.0199 ( 1819 PWs) bands (ev): -25.7293 -25.7293 -14.9817 -14.9816 -9.4017 -9.3988 -9.1658 -9.1641 -9.0641 -9.0589 -1.1880 -1.1861 -0.7640 -0.7640 -0.3369 -0.3351 1.2479 1.2493 8.6273 8.6285 9.0346 9.0347 9.5484 9.5491 11.6095 11.6104 k = 0.2500 0.2387-0.0207 ( 1821 PWs) bands (ev): -25.7282 -25.7282 -14.9796 -14.9796 -9.4069 -9.4039 -9.1723 -9.1707 -9.0644 -9.0591 -1.2000 -1.1981 -0.7807 -0.7807 -0.3342 -0.3325 1.2672 1.2685 8.6354 8.6363 9.1104 9.1105 9.5555 9.5560 11.6296 11.6303 k = 0.2586 0.2469-0.0214 ( 1821 PWs) bands (ev): -25.7271 -25.7271 -14.9775 -14.9775 -9.4123 -9.4091 -9.1790 -9.1774 -9.0647 -9.0593 -1.2108 -1.2089 -0.7972 -0.7972 -0.3314 -0.3298 1.2850 1.2863 8.6327 8.6334 9.1858 9.1860 9.5737 9.5740 11.6415 11.6423 k = 0.2672 0.2551-0.0221 ( 1825 PWs) bands (ev): -25.7260 -25.7260 -14.9754 -14.9754 -9.4177 -9.4145 -9.1858 -9.1842 -9.0648 -9.0594 -1.2204 -1.2186 -0.8134 -0.8134 -0.3285 -0.3270 1.3013 1.3025 8.6198 8.6202 9.2606 9.2608 9.6024 9.6025 11.6382 11.6392 k = 0.2759 0.2633-0.0228 ( 1824 PWs) bands (ev): -25.7249 -25.7249 -14.9732 -14.9732 -9.4231 -9.4198 -9.1927 -9.1912 -9.0649 -9.0594 -1.2289 -1.2271 -0.8294 -0.8294 -0.3255 -0.3241 1.3161 1.3172 8.5980 8.5982 9.3342 9.3345 9.6401 9.6403 11.6369 11.6379 k = 0.2845 0.2716-0.0235 ( 1818 PWs) bands (ev): -25.7237 -25.7237 -14.9710 -14.9710 -9.4286 -9.4253 -9.1996 -9.1981 -9.0649 -9.0593 -1.2363 -1.2345 -0.8450 -0.8450 -0.3224 -0.3210 1.3294 1.3304 8.5689 8.5690 9.4065 9.4067 9.6854 9.6858 11.6382 11.6393 k = 0.2931 0.2798-0.0242 ( 1818 PWs) bands (ev): -25.7226 -25.7226 -14.9688 -14.9687 -9.4341 -9.4307 -9.2066 -9.2051 -9.0647 -9.0592 -1.2426 -1.2408 -0.8603 -0.8603 -0.3192 -0.3179 1.3412 1.3422 8.5341 8.5342 9.4769 9.4772 9.7365 9.7370 11.6424 11.6436 k = 0.3017 0.2880-0.0249 ( 1818 PWs) bands (ev): -25.7216 -25.7216 -14.9665 -14.9665 -9.4397 -9.4362 -9.2135 -9.2121 -9.0646 -9.0591 -1.2478 -1.2460 -0.8753 -0.8752 -0.3159 -0.3147 1.3516 1.3525 8.4951 8.4954 9.5452 9.5454 9.7920 9.7927 11.6498 11.6510 k = 0.3103 0.2963-0.0256 ( 1820 PWs) bands (ev): -25.7205 -25.7205 -14.9643 -14.9643 -9.4452 -9.4417 -9.2204 -9.2191 -9.0644 -9.0590 -1.2521 -1.2504 -0.8898 -0.8898 -0.3126 -0.3114 1.3606 1.3615 8.4532 8.4536 9.6108 9.6111 9.8505 9.8513 11.6606 11.6619 k = 0.3190 0.3045-0.0264 ( 1821 PWs) bands (ev): -25.7195 -25.7195 -14.9621 -14.9620 -9.4506 -9.4471 -9.2272 -9.2260 -9.0641 -9.0587 -1.2555 -1.2538 -0.9038 -0.9038 -0.3092 -0.3081 1.3683 1.3691 8.4095 8.4100 9.6735 9.6738 9.9109 9.9117 11.6751 11.6764 k = 0.3276 0.3127-0.0271 ( 1819 PWs) bands (ev): -25.7185 -25.7185 -14.9598 -14.9598 -9.4560 -9.4525 -9.2340 -9.2329 -9.0637 -9.0585 -1.2580 -1.2563 -0.9174 -0.9174 -0.3058 -0.3048 1.3747 1.3755 8.3648 8.3653 9.7329 9.7332 9.9722 9.9732 11.6934 11.6947 k = 0.3362 0.3209-0.0278 ( 1819 PWs) bands (ev): -25.7175 -25.7175 -14.9576 -14.9576 -9.4613 -9.4579 -9.2406 -9.2396 -9.0634 -9.0583 -1.2596 -1.2580 -0.9305 -0.9304 -0.3024 -0.3014 1.3800 1.3807 8.3197 8.3203 9.7888 9.7891 10.0338 10.0348 11.7156 11.7170 k = 0.3448 0.3292-0.0285 ( 1820 PWs) bands (ev): -25.7166 -25.7166 -14.9555 -14.9554 -9.4665 -9.4631 -9.2471 -9.2462 -9.0630 -9.0580 -1.2605 -1.2589 -0.9430 -0.9430 -0.2990 -0.2981 1.3841 1.3848 8.2749 8.2756 9.8408 9.8411 10.0949 10.0959 11.7418 11.7432 k = 0.3534 0.3374-0.0292 ( 1816 PWs) bands (ev): -25.7157 -25.7157 -14.9533 -14.9533 -9.4715 -9.4682 -9.2534 -9.2525 -9.0625 -9.0578 -1.2608 -1.2592 -0.9550 -0.9550 -0.2956 -0.2948 1.3873 1.3879 8.2308 8.2315 9.8888 9.8890 10.1550 10.1560 11.7718 11.7733 k = 0.3621 0.3456-0.0299 ( 1818 PWs) bands (ev): -25.7148 -25.7148 -14.9513 -14.9512 -9.4764 -9.4732 -9.2595 -9.2587 -9.0621 -9.0575 -1.2604 -1.2589 -0.9664 -0.9664 -0.2923 -0.2915 1.3895 1.3901 8.1878 8.1885 9.9326 9.9329 10.2135 10.2145 11.8053 11.8071 k = 0.3707 0.3539-0.0306 ( 1818 PWs) bands (ev): -25.7140 -25.7140 -14.9493 -14.9492 -9.4811 -9.4780 -9.2654 -9.2647 -9.0616 -9.0573 -1.2596 -1.2581 -0.9772 -0.9772 -0.2890 -0.2883 1.3909 1.3914 8.1462 8.1469 9.9724 9.9727 10.2701 10.2712 11.7985 11.7997 k = 0.3793 0.3621-0.0313 ( 1816 PWs) bands (ev): -25.7132 -25.7132 -14.9473 -14.9473 -9.4856 -9.4827 -9.2710 -9.2704 -9.0612 -9.0570 -1.2583 -1.2569 -0.9874 -0.9874 -0.2858 -0.2852 1.3916 1.3921 8.1062 8.1069 10.0081 10.0084 10.3244 10.3255 11.7541 11.7550 k = 0.3879 0.3703-0.0321 ( 1809 PWs) bands (ev): -25.7124 -25.7124 -14.9455 -14.9454 -9.4899 -9.4871 -9.2763 -9.2758 -9.0606 -9.0567 -1.2566 -1.2553 -0.9969 -0.9969 -0.2827 -0.2821 1.3917 1.3921 8.0682 8.0689 10.0399 10.0401 10.3761 10.3771 11.7114 11.7123 k = 0.3966 0.3786-0.0328 ( 1807 PWs) bands (ev): -25.7117 -25.7117 -14.9437 -14.9437 -9.4940 -9.4913 -9.2813 -9.2809 -9.0602 -9.0565 -1.2546 -1.2534 -1.0058 -1.0058 -0.2798 -0.2793 1.3912 1.3916 8.0323 8.0330 10.0679 10.0681 10.4247 10.4257 11.6714 11.6722 k = 0.4052 0.3868-0.0335 ( 1810 PWs) bands (ev): -25.7111 -25.7111 -14.9421 -14.9420 -9.4978 -9.4953 -9.2861 -9.2856 -9.0597 -9.0563 -1.2525 -1.2514 -1.0141 -1.0141 -0.2770 -0.2765 1.3903 1.3907 7.9987 7.9993 10.0923 10.0926 10.4701 10.4711 11.6343 11.6350 k = 0.4138 0.3950-0.0342 ( 1804 PWs) bands (ev): -25.7105 -25.7105 -14.9405 -14.9405 -9.5013 -9.4990 -9.2904 -9.2901 -9.0593 -9.0561 -1.2502 -1.2492 -1.0217 -1.0216 -0.2744 -0.2739 1.3891 1.3894 7.9676 7.9682 10.1136 10.1138 10.5120 10.5129 11.6004 11.6011 k = 0.4224 0.4032-0.0349 ( 1800 PWs) bands (ev): -25.7099 -25.7099 -14.9390 -14.9390 -9.5046 -9.5024 -9.2944 -9.2941 -9.0588 -9.0560 -1.2479 -1.2469 -1.0285 -1.0285 -0.2720 -0.2716 1.3877 1.3880 7.9390 7.9396 10.1318 10.1320 10.5502 10.5510 11.5699 11.5705 k = 0.4310 0.4115-0.0356 ( 1800 PWs) bands (ev): -25.7094 -25.7094 -14.9377 -14.9377 -9.5075 -9.5056 -9.2981 -9.2978 -9.0584 -9.0558 -1.2456 -1.2447 -1.0347 -1.0347 -0.2697 -0.2693 1.3862 1.3864 7.9132 7.9137 10.1472 10.1474 10.5844 10.5852 11.5429 11.5435 k = 0.4397 0.4197-0.0363 ( 1804 PWs) bands (ev): -25.7090 -25.7090 -14.9366 -14.9366 -9.5101 -9.5084 -9.3013 -9.3011 -9.0580 -9.0557 -1.2434 -1.2426 -1.0402 -1.0402 -0.2677 -0.2674 1.3846 1.3848 7.8901 7.8906 10.1602 10.1603 10.6146 10.6153 11.5194 11.5199 k = 0.4483 0.4279-0.0370 ( 1801 PWs) bands (ev): -25.7086 -25.7086 -14.9356 -14.9356 -9.5124 -9.5109 -9.3041 -9.3040 -9.0576 -9.0557 -1.2414 -1.2407 -1.0450 -1.0450 -0.2659 -0.2656 1.3831 1.3832 7.8700 7.8704 10.1709 10.1711 10.6408 10.6414 11.4994 11.4998 k = 0.4569 0.4362-0.0377 ( 1803 PWs) bands (ev): -25.7083 -25.7083 -14.9347 -14.9347 -9.5143 -9.5131 -9.3066 -9.3064 -9.0573 -9.0556 -1.2395 -1.2389 -1.0490 -1.0490 -0.2644 -0.2642 1.3816 1.3818 7.8528 7.8532 10.1796 10.1798 10.6628 10.6633 11.4828 11.4831 k = 0.4655 0.4444-0.0385 ( 1805 PWs) bands (ev): -25.7080 -25.7080 -14.9340 -14.9340 -9.5159 -9.5149 -9.3086 -9.3085 -9.0570 -9.0557 -1.2379 -1.2375 -1.0523 -1.0523 -0.2631 -0.2630 1.3804 1.3805 7.8387 7.8390 10.1865 10.1866 10.6806 10.6811 11.4695 11.4698 k = 0.4741 0.4526-0.0392 ( 1802 PWs) bands (ev): -25.7078 -25.7078 -14.9334 -14.9334 -9.5171 -9.5163 -9.3101 -9.3100 -9.0567 -9.0557 -1.2366 -1.2363 -1.0549 -1.0549 -0.2621 -0.2620 1.3793 1.3794 7.8277 7.8279 10.1917 10.1918 10.6944 10.6948 11.4593 11.4596 k = 0.4828 0.4608-0.0399 ( 1802 PWs) bands (ev): -25.7077 -25.7077 -14.9330 -14.9330 -9.5179 -9.5174 -9.3112 -9.3112 -9.0564 -9.0558 -1.2357 -1.2354 -1.0568 -1.0568 -0.2614 -0.2613 1.3786 1.3786 7.8198 7.8200 10.1953 10.1954 10.7043 10.7045 11.4522 11.4524 k = 0.4914 0.4691-0.0406 ( 1801 PWs) bands (ev): -25.7076 -25.7076 -14.9328 -14.9328 -9.5183 -9.5181 -9.3119 -9.3119 -9.0562 -9.0559 -1.2351 -1.2349 -1.0579 -1.0579 -0.2609 -0.2609 1.3781 1.3781 7.8151 7.8152 10.1975 10.1975 10.7101 10.7102 11.4480 11.4481 k = 0.5000 0.4773-0.0413 ( 1796 PWs) bands (ev): -25.7075 -25.7075 -14.9327 -14.9327 -9.5184 -9.5184 -9.3121 -9.3121 -9.0560 -9.0560 -1.2348 -1.2348 -1.0582 -1.0582 -0.2607 -0.2607 1.3780 1.3780 7.8135 7.8135 10.1982 10.1982 10.7121 10.7121 11.4467 11.4467 k = 0.5000 0.4773-0.0413 ( 1796 PWs) bands (ev): -25.7075 -25.7075 -14.9327 -14.9327 -9.5184 -9.5184 -9.3121 -9.3121 -9.0560 -9.0560 -1.2348 -1.2348 -1.0582 -1.0582 -0.2607 -0.2607 1.3780 1.3780 7.8135 7.8135 10.1982 10.1982 10.7121 10.7121 11.4467 11.4467 k = 0.5005 0.4778-0.0293 ( 1800 PWs) bands (ev): -25.7075 -25.7075 -14.9326 -14.9326 -9.5183 -9.5183 -9.3120 -9.3120 -9.0564 -9.0564 -1.2350 -1.2350 -1.0584 -1.0584 -0.2630 -0.2630 1.3797 1.3798 7.8161 7.8162 10.1976 10.1976 10.7138 10.7139 11.4460 11.4461 k = 0.5010 0.4783-0.0174 ( 1800 PWs) bands (ev): -25.7074 -25.7074 -14.9324 -14.9324 -9.5182 -9.5181 -9.3117 -9.3117 -9.0574 -9.0574 -1.2357 -1.2356 -1.0587 -1.0587 -0.2696 -0.2695 1.3850 1.3851 7.8238 7.8241 10.1959 10.1959 10.7188 10.7190 11.4441 11.4442 k = 0.5016 0.4788-0.0054 ( 1796 PWs) bands (ev): -25.7072 -25.7072 -14.9321 -14.9321 -9.5179 -9.5178 -9.3112 -9.3112 -9.0592 -9.0591 -1.2368 -1.2367 -1.0593 -1.0593 -0.2804 -0.2803 1.3937 1.3938 7.8367 7.8371 10.1930 10.1930 10.7272 10.7275 11.4411 11.4411 k = 0.5021 0.4793 0.0066 ( 1798 PWs) bands (ev): -25.7070 -25.7070 -14.9316 -14.9316 -9.5175 -9.5174 -9.3105 -9.3104 -9.0616 -9.0615 -1.2383 -1.2382 -1.0602 -1.0602 -0.2952 -0.2951 1.4055 1.4057 7.8547 7.8553 10.1890 10.1890 10.7389 10.7392 11.4369 11.4370 k = 0.5026 0.4798 0.0186 ( 1795 PWs) bands (ev): -25.7068 -25.7068 -14.9310 -14.9310 -9.5169 -9.5169 -9.3095 -9.3095 -9.0647 -9.0646 -1.2403 -1.2401 -1.0613 -1.0613 -0.3138 -0.3136 1.4203 1.4205 7.8777 7.8785 10.1839 10.1839 10.7537 10.7540 11.4319 11.4320 k = 0.5031 0.4803 0.0305 ( 1798 PWs) bands (ev): -25.7065 -25.7065 -14.9304 -14.9304 -9.5163 -9.5162 -9.3085 -9.3085 -9.0684 -9.0683 -1.2427 -1.2425 -1.0626 -1.0626 -0.3358 -0.3356 1.4378 1.4380 7.9058 7.9067 10.1778 10.1778 10.7715 10.7719 11.4262 11.4264 k = 0.5036 0.4808 0.0425 ( 1803 PWs) bands (ev): -25.7061 -25.7061 -14.9296 -14.9296 -9.5156 -9.5155 -9.3072 -9.3072 -9.0728 -9.0726 -1.2455 -1.2453 -1.0642 -1.0642 -0.3609 -0.3607 1.4576 1.4578 7.9387 7.9397 10.1706 10.1706 10.7922 10.7925 11.4201 11.4204 k = 0.5041 0.4813 0.0545 ( 1809 PWs) bands (ev): -25.7057 -25.7057 -14.9287 -14.9287 -9.5149 -9.5147 -9.3058 -9.3057 -9.0777 -9.0775 -1.2488 -1.2485 -1.0660 -1.0660 -0.3888 -0.3885 1.4794 1.4796 7.9764 7.9776 10.1626 10.1626 10.8153 10.8156 11.4139 11.4143 k = 0.5047 0.4818 0.0665 ( 1807 PWs) bands (ev): -25.7052 -25.7052 -14.9277 -14.9277 -9.5140 -9.5139 -9.3041 -9.3041 -9.0831 -9.0829 -1.2524 -1.2521 -1.0680 -1.0680 -0.4189 -0.4187 1.5030 1.5032 8.0188 8.0200 10.1538 10.1538 10.8407 10.8409 11.4081 11.4087 k = 0.5052 0.4822 0.0784 ( 1811 PWs) bands (ev): -25.7047 -25.7047 -14.9265 -14.9265 -9.5131 -9.5129 -9.3024 -9.3023 -9.0890 -9.0889 -1.2565 -1.2562 -1.0702 -1.0702 -0.4510 -0.4508 1.5278 1.5281 8.0656 8.0670 10.1442 10.1442 10.8678 10.8679 11.4033 11.4041 k = 0.5057 0.4827 0.0904 ( 1810 PWs) bands (ev): -25.7041 -25.7041 -14.9253 -14.9253 -9.5121 -9.5119 -9.3004 -9.3004 -9.0954 -9.0952 -1.2609 -1.2606 -1.0726 -1.0725 -0.4847 -0.4845 1.5538 1.5540 8.1168 8.1183 10.1340 10.1340 10.8960 10.8961 11.4000 11.4011 k = 0.5062 0.4832 0.1024 ( 1811 PWs) bands (ev): -25.7035 -25.7035 -14.9240 -14.9240 -9.5110 -9.5109 -9.2983 -9.2983 -9.1022 -9.1020 -1.2658 -1.2655 -1.0751 -1.0751 -0.5197 -0.5195 1.5806 1.5808 8.1721 8.1737 10.1232 10.1232 10.9245 10.9250 11.3990 11.4006 k = 0.5067 0.4837 0.1143 ( 1809 PWs) bands (ev): -25.7028 -25.7028 -14.9226 -14.9226 -9.5100 -9.5098 -9.2961 -9.2961 -9.1093 -9.1091 -1.2711 -1.2707 -1.0778 -1.0778 -0.5556 -0.5554 1.6079 1.6081 8.2313 8.2330 10.1119 10.1119 10.9525 10.9534 11.4013 11.4034 k = 0.5072 0.4842 0.1263 ( 1809 PWs) bands (ev): -25.7022 -25.7022 -14.9211 -14.9211 -9.5089 -9.5088 -9.2938 -9.2938 -9.1168 -9.1166 -1.2767 -1.2764 -1.0806 -1.0806 -0.5922 -0.5920 1.6354 1.6356 8.2942 8.2959 10.1002 10.1002 10.9791 10.9805 11.4079 11.4105 k = 0.5078 0.4847 0.1383 ( 1807 PWs) bands (ev): -25.7014 -25.7014 -14.9195 -14.9195 -9.5079 -9.5077 -9.2914 -9.2914 -9.1245 -9.1243 -1.2828 -1.2825 -1.0836 -1.0836 -0.6291 -0.6289 1.6631 1.6633 8.3606 8.3623 10.0883 10.0883 11.0032 11.0052 11.4198 11.4231 k = 0.5083 0.4852 0.1503 ( 1807 PWs) bands (ev): -25.7007 -25.7007 -14.9180 -14.9180 -9.5069 -9.5067 -9.2889 -9.2889 -9.1323 -9.1321 -1.2892 -1.2890 -1.0867 -1.0867 -0.6661 -0.6660 1.6907 1.6908 8.4301 8.4319 10.0761 10.0761 11.0241 11.0267 11.4378 11.4419 k = 0.5088 0.4857 0.1622 ( 1809 PWs) bands (ev): -25.6999 -25.6999 -14.9163 -14.9163 -9.5059 -9.5057 -9.2863 -9.2863 -9.1403 -9.1401 -1.2961 -1.2958 -1.0899 -1.0899 -0.7029 -0.7028 1.7179 1.7180 8.5025 8.5043 10.0638 10.0638 11.0413 11.0445 11.4623 11.4672 k = 0.5093 0.4862 0.1742 ( 1809 PWs) bands (ev): -25.6992 -25.6992 -14.9146 -14.9146 -9.5050 -9.5048 -9.2837 -9.2837 -9.1484 -9.1482 -1.3033 -1.3031 -1.0932 -1.0932 -0.7393 -0.7392 1.7447 1.7448 8.5774 8.5792 10.0515 10.0515 11.0549 11.0587 11.4933 11.4990 k = 0.5098 0.4867 0.1862 ( 1807 PWs) bands (ev): -25.6983 -25.6983 -14.9129 -14.9129 -9.5041 -9.5040 -9.2810 -9.2810 -9.1564 -9.1562 -1.3110 -1.3108 -1.0966 -1.0966 -0.7750 -0.7750 1.7710 1.7711 8.6545 8.6563 10.0392 10.0392 11.0655 11.0699 11.5300 11.5364 k = 0.5104 0.4872 0.1982 ( 1807 PWs) bands (ev): -25.6975 -25.6975 -14.9112 -14.9112 -9.5034 -9.5033 -9.2783 -9.2783 -9.1644 -9.1642 -1.3190 -1.3189 -1.1000 -1.1000 -0.8099 -0.8099 1.7966 1.7966 8.7334 8.7351 10.0271 10.0272 11.0739 11.0788 11.5715 11.5786 k = 0.5109 0.4877 0.2101 ( 1807 PWs) bands (ev): -25.6967 -25.6967 -14.9094 -14.9094 -9.5028 -9.5027 -9.2756 -9.2756 -9.1722 -9.1721 -1.3275 -1.3274 -1.1034 -1.1034 -0.8437 -0.8437 1.8213 1.8214 8.8136 8.8153 10.0153 10.0153 11.0810 11.0863 11.6155 11.6239 k = 0.5114 0.4882 0.2221 ( 1809 PWs) bands (ev): -25.6959 -25.6959 -14.9077 -14.9077 -9.5023 -9.5023 -9.2730 -9.2730 -9.1799 -9.1798 -1.3363 -1.3363 -1.1069 -1.1069 -0.8764 -0.8763 1.8453 1.8453 8.8948 8.8964 10.0037 10.0037 11.0877 11.0934 11.5974 11.5979 k = 0.5119 0.4887 0.2341 ( 1813 PWs) bands (ev): -25.6951 -25.6951 -14.9060 -14.9060 -9.5020 -9.5020 -9.2704 -9.2704 -9.1873 -9.1872 -1.3456 -1.3456 -1.1103 -1.1103 -0.9077 -0.9075 1.8682 1.8683 8.9763 8.9779 9.9924 9.9924 11.0948 11.1009 11.5541 11.5544 k = 0.5124 0.4892 0.2461 ( 1813 PWs) bands (ev): -25.6943 -25.6943 -14.9042 -14.9042 -9.5018 -9.5018 -9.2679 -9.2679 -9.1944 -9.1943 -1.3552 -1.3552 -1.1137 -1.1137 -0.9374 -0.9373 1.8902 1.8902 9.0579 9.0593 9.9816 9.9816 11.1030 11.1095 11.5117 11.5120 k = 0.5129 0.4897 0.2580 ( 1809 PWs) bands (ev): -25.6935 -25.6935 -14.9025 -14.9025 -9.5018 -9.5017 -9.2655 -9.2655 -9.2011 -9.2010 -1.3652 -1.3652 -1.1171 -1.1171 -0.9655 -0.9653 1.9111 1.9111 9.1387 9.1401 9.9712 9.9712 11.1129 11.1198 11.4707 11.4709 k = 0.5135 0.4902 0.2700 ( 1814 PWs) bands (ev): -25.6928 -25.6928 -14.9009 -14.9009 -9.5020 -9.5018 -9.2633 -9.2633 -9.2074 -9.2072 -1.3756 -1.3754 -1.1204 -1.1204 -0.9919 -0.9917 1.9309 1.9309 9.2184 9.2196 9.9613 9.9613 11.1249 11.1322 11.4311 11.4313 k = 0.5140 0.4906 0.2820 ( 1811 PWs) bands (ev): -25.6920 -25.6920 -14.8993 -14.8992 -9.5023 -9.5021 -9.2613 -9.2613 -9.2131 -9.2129 -1.3861 -1.3860 -1.1237 -1.1237 -1.0165 -1.0162 1.9496 1.9496 9.2962 9.2972 9.9519 9.9519 11.1395 11.1472 11.3932 11.3934 k = 0.5145 0.4911 0.2940 ( 1809 PWs) bands (ev): -25.6913 -25.6913 -14.8977 -14.8977 -9.5027 -9.5025 -9.2597 -9.2596 -9.2182 -9.2179 -1.3969 -1.3967 -1.1268 -1.1268 -1.0391 -1.0387 1.9670 1.9670 9.3717 9.3725 9.9430 9.9430 11.1570 11.1652 11.3572 11.3574 k = 0.5150 0.4916 0.3059 ( 1811 PWs) bands (ev): -25.6906 -25.6906 -14.8962 -14.8962 -9.5034 -9.5031 -9.2584 -9.2583 -9.2226 -9.2222 -1.4077 -1.4075 -1.1298 -1.1298 -1.0599 -1.0595 1.9833 1.9833 9.4441 9.4447 9.9346 9.9346 11.1777 11.1863 11.3230 11.3233 k = 0.5155 0.4921 0.3179 ( 1813 PWs) bands (ev): -25.6899 -25.6899 -14.8948 -14.8948 -9.5041 -9.5037 -9.2576 -9.2575 -9.2262 -9.2257 -1.4186 -1.4182 -1.1327 -1.1327 -1.0787 -1.0784 1.9983 1.9983 9.5129 9.5133 9.9268 9.9268 11.2018 11.2108 11.2910 11.2913 k = 0.5160 0.4926 0.3299 ( 1813 PWs) bands (ev): -25.6893 -25.6893 -14.8934 -14.8934 -9.5049 -9.5045 -9.2574 -9.2573 -9.2289 -9.2283 -1.4292 -1.4289 -1.1355 -1.1355 -1.0958 -1.0954 2.0120 2.0121 9.5776 9.5778 9.9196 9.9196 11.2290 11.2386 11.2613 11.2618 k = 0.5166 0.4931 0.3418 ( 1811 PWs) bands (ev): -25.6887 -25.6887 -14.8922 -14.8922 -9.5058 -9.5053 -9.2578 -9.2577 -9.2306 -9.2299 -1.4396 -1.4392 -1.1382 -1.1382 -1.1109 -1.1105 2.0245 2.0246 9.6377 9.6378 9.9129 9.9130 11.2332 11.2336 11.2610 11.2701 k = 0.5171 0.4936 0.3538 ( 1811 PWs) bands (ev): -25.6882 -25.6882 -14.8910 -14.8910 -9.5068 -9.5062 -9.2587 -9.2587 -9.2314 -9.2308 -1.4496 -1.4491 -1.1409 -1.1409 -1.1241 -1.1237 2.0358 2.0358 9.6928 9.6929 9.9068 9.9069 11.2086 11.2087 11.2946 11.3043 k = 0.5176 0.4941 0.3658 ( 1799 PWs) bands (ev): -25.6876 -25.6876 -14.8899 -14.8899 -9.5078 -9.5071 -9.2601 -9.2599 -9.2316 -9.2309 -1.4589 -1.4584 -1.1442 -1.1441 -1.1348 -1.1345 2.0458 2.0458 9.7426 9.7428 9.9014 9.9014 11.1863 11.1863 11.3312 11.3412 k = 0.5181 0.4946 0.3778 ( 1797 PWs) bands (ev): -25.6872 -25.6872 -14.8890 -14.8890 -9.5087 -9.5079 -9.2616 -9.2613 -9.2314 -9.2307 -1.4675 -1.4670 -1.1500 -1.1497 -1.1413 -1.1412 2.0545 2.0545 9.7869 9.7872 9.8965 9.8966 11.1665 11.1666 11.3700 11.3801 k = 0.5186 0.4951 0.3897 ( 1800 PWs) bands (ev): -25.6868 -25.6868 -14.8882 -14.8882 -9.5097 -9.5088 -9.2631 -9.2628 -9.2310 -9.2303 -1.4753 -1.4748 -1.1576 -1.1572 -1.1442 -1.1442 2.0619 2.0619 9.8253 9.8258 9.8926 9.8927 11.1496 11.1496 11.4101 11.4202 k = 0.5192 0.4956 0.4017 ( 1802 PWs) bands (ev): -25.6865 -25.6865 -14.8875 -14.8875 -9.5105 -9.5095 -9.2645 -9.2641 -9.2304 -9.2298 -1.4820 -1.4815 -1.1647 -1.1643 -1.1461 -1.1461 2.0680 2.0680 9.8567 9.8572 9.8908 9.8909 11.1354 11.1355 11.4505 11.4604 k = 0.5197 0.4961 0.4137 ( 1800 PWs) bands (ev): -25.6862 -25.6862 -14.8869 -14.8869 -9.5112 -9.5102 -9.2657 -9.2652 -9.2299 -9.2292 -1.4877 -1.4872 -1.1707 -1.1703 -1.1474 -1.1474 2.0729 2.0729 9.8738 9.8742 9.8987 9.8987 11.1243 11.1243 11.4902 11.4995 k = 0.5202 0.4966 0.4257 ( 1798 PWs) bands (ev): -25.6860 -25.6860 -14.8864 -14.8864 -9.5119 -9.5107 -9.2666 -9.2660 -9.2294 -9.2287 -1.4922 -1.4917 -1.1754 -1.1751 -1.1485 -1.1484 2.0765 2.0765 9.8752 9.8754 9.9173 9.9175 11.1160 11.1161 11.5274 11.5359 k = 0.5202 0.4966 0.4257 ( 1798 PWs) bands (ev): -25.6860 -25.6860 -14.8864 -14.8864 -9.5119 -9.5107 -9.2666 -9.2660 -9.2294 -9.2287 -1.4922 -1.4917 -1.1754 -1.1751 -1.1485 -1.1484 2.0765 2.0765 9.8752 9.8754 9.9173 9.9175 11.1160 11.1161 11.5274 11.5359 k = 0.5161 0.4927 0.4339 ( 1806 PWs) bands (ev): -25.6858 -25.6858 -14.8861 -14.8861 -9.5121 -9.5112 -9.2671 -9.2666 -9.2292 -9.2287 -1.4953 -1.4949 -1.1790 -1.1788 -1.1500 -1.1500 2.0791 2.0791 9.8767 9.8768 9.9344 9.9346 11.1123 11.1123 11.5543 11.5619 k = 0.5121 0.4889 0.4422 ( 1811 PWs) bands (ev): -25.6857 -25.6857 -14.8858 -14.8858 -9.5123 -9.5116 -9.2674 -9.2670 -9.2291 -9.2287 -1.4977 -1.4974 -1.1818 -1.1816 -1.1513 -1.1512 2.0811 2.0811 9.8776 9.8776 9.9483 9.9484 11.1094 11.1094 11.5773 11.5835 k = 0.5081 0.4850 0.4504 ( 1809 PWs) bands (ev): -25.6856 -25.6856 -14.8856 -14.8856 -9.5124 -9.5119 -9.2676 -9.2674 -9.2290 -9.2287 -1.4994 -1.4992 -1.1838 -1.1837 -1.1521 -1.1521 2.0825 2.0825 9.8780 9.8781 9.9585 9.9586 11.1073 11.1073 11.5953 11.5998 k = 0.5040 0.4812 0.4587 ( 1809 PWs) bands (ev): -25.6856 -25.6856 -14.8855 -14.8855 -9.5124 -9.5121 -9.2677 -9.2676 -9.2289 -9.2288 -1.5004 -1.5003 -1.1850 -1.1849 -1.1526 -1.1526 2.0834 2.0834 9.8783 9.8783 9.9647 9.9647 11.1061 11.1061 11.6071 11.6095 k = 0.5000 0.4773 0.4670 ( 1804 PWs) bands (ev): -25.6855 -25.6855 -14.8854 -14.8854 -9.5123 -9.5123 -9.2677 -9.2677 -9.2288 -9.2288 -1.5007 -1.5007 -1.1853 -1.1853 -1.1528 -1.1528 2.0837 2.0837 9.8784 9.8784 9.9668 9.9668 11.1057 11.1057 11.6121 11.6121 k = 0.5000 0.4773 0.4670 ( 1804 PWs) bands (ev): -25.6855 -25.6855 -14.8854 -14.8854 -9.5123 -9.5123 -9.2677 -9.2677 -9.2288 -9.2288 -1.5007 -1.5007 -1.1853 -1.1853 -1.1528 -1.1528 2.0837 2.0837 9.8784 9.8784 9.9668 9.9668 11.1057 11.1057 11.6121 11.6121 k = 0.5083 0.4686 0.4670 ( 1806 PWs) bands (ev): -25.6856 -25.6856 -14.8855 -14.8855 -9.5128 -9.5117 -9.2683 -9.2671 -9.2293 -9.2282 -1.5004 -1.5003 -1.1858 -1.1846 -1.1525 -1.1515 2.0833 2.0834 9.8738 9.8757 9.9662 9.9679 11.1022 11.1028 11.6126 11.6134 k = 0.5166 0.4600 0.4670 ( 1800 PWs) bands (ev): -25.6856 -25.6856 -14.8856 -14.8856 -9.5132 -9.5112 -9.2689 -9.2666 -9.2294 -9.2273 -1.4992 -1.4989 -1.1857 -1.1836 -1.1507 -1.1488 2.0823 2.0825 9.8621 9.8654 9.9664 9.9694 11.0925 11.0938 11.6150 11.6165 k = 0.5248 0.4513 0.4670 ( 1796 PWs) bands (ev): -25.6857 -25.6857 -14.8859 -14.8859 -9.5136 -9.5105 -9.2695 -9.2661 -9.2294 -9.2262 -1.4971 -1.4968 -1.1852 -1.1822 -1.1474 -1.1449 2.0806 2.0809 9.8437 9.8479 9.9674 9.9711 11.0772 11.0789 11.6189 11.6211 k = 0.5331 0.4426 0.4670 ( 1794 PWs) bands (ev): -25.6859 -25.6859 -14.8863 -14.8863 -9.5140 -9.5099 -9.2702 -9.2657 -9.2291 -9.2248 -1.4943 -1.4938 -1.1841 -1.1805 -1.1428 -1.1397 2.0782 2.0786 9.8188 9.8235 9.9692 9.9732 11.0567 11.0589 11.6238 11.6265 k = 0.5414 0.4339 0.4670 ( 1796 PWs) bands (ev): -25.6861 -25.6861 -14.8868 -14.8868 -9.5143 -9.5093 -9.2709 -9.2653 -9.2285 -9.2233 -1.4906 -1.4900 -1.1823 -1.1783 -1.1368 -1.1335 2.0752 2.0757 9.7878 9.7928 9.9715 9.9755 11.0319 11.0344 11.6292 11.6324 k = 0.4586-0.4804 0.5083 ( 1796 PWs) bands (ev): -25.6861 -25.6861 -14.8868 -14.8868 -9.5143 -9.5093 -9.2709 -9.2653 -9.2285 -9.2233 -1.4906 -1.4900 -1.1823 -1.1783 -1.1368 -1.1335 2.0752 2.0757 9.7878 9.7928 9.9715 9.9755 11.0319 11.0344 11.6292 11.6324 k = 0.4503-0.4717 0.5083 ( 1794 PWs) bands (ev): -25.6864 -25.6864 -14.8874 -14.8874 -9.5146 -9.5086 -9.2716 -9.2650 -9.2277 -9.2215 -1.4862 -1.4855 -1.1798 -1.1755 -1.1297 -1.1262 2.0714 2.0720 9.7512 9.7561 9.9744 9.9783 11.0032 11.0060 11.6346 11.6381 k = 0.4419-0.4629 0.5083 ( 1792 PWs) bands (ev): -25.6867 -25.6867 -14.8881 -14.8881 -9.5148 -9.5080 -9.2723 -9.2646 -9.2266 -9.2195 -1.4810 -1.4802 -1.1766 -1.1722 -1.1214 -1.1180 2.0670 2.0677 9.7095 9.7144 9.9777 9.9814 10.9717 10.9745 11.6395 11.6433 k = 0.4336-0.4542 0.5083 ( 1790 PWs) bands (ev): -25.6871 -25.6871 -14.8890 -14.8889 -9.5149 -9.5073 -9.2729 -9.2644 -9.2252 -9.2173 -1.4751 -1.4742 -1.1726 -1.1682 -1.1121 -1.1088 2.0619 2.0627 9.6635 9.6683 9.9814 9.9849 10.9379 10.9408 11.6437 11.6477 k = 0.4253-0.4455 0.5083 ( 1784 PWs) bands (ev): -25.6875 -25.6875 -14.8899 -14.8899 -9.5150 -9.5067 -9.2735 -9.2641 -9.2235 -9.2148 -1.4686 -1.4676 -1.1680 -1.1635 -1.1019 -1.0987 2.0562 2.0571 9.6138 9.6185 9.9855 9.9888 10.9025 10.9054 11.6468 11.6509 k = 0.4169-0.4367 0.5083 ( 1788 PWs) bands (ev): -25.6879 -25.6879 -14.8910 -14.8909 -9.5150 -9.5061 -9.2740 -9.2638 -9.2216 -9.2122 -1.4614 -1.4604 -1.1626 -1.1583 -1.0909 -1.0879 2.0497 2.0507 9.5612 9.5658 9.9898 9.9928 10.8660 10.8690 11.6486 11.6529 k = 0.4086-0.4280 0.5083 ( 1792 PWs) bands (ev): -25.6885 -25.6885 -14.8922 -14.8921 -9.5150 -9.5055 -9.2745 -9.2636 -9.2195 -9.2093 -1.4538 -1.4527 -1.1565 -1.1523 -1.0790 -1.0762 2.0426 2.0436 9.5063 9.5107 9.9942 9.9970 10.8291 10.8321 11.6490 11.6534 k = 0.4002-0.4193 0.5083 ( 1794 PWs) bands (ev): -25.6890 -25.6890 -14.8934 -14.8934 -9.5149 -9.5049 -9.2748 -9.2633 -9.2170 -9.2063 -1.4457 -1.4446 -1.1498 -1.1457 -1.0664 -1.0638 2.0347 2.0359 9.4497 9.4540 9.9986 10.0013 10.7924 10.7953 11.6479 11.6523 k = 0.3919-0.4105 0.5083 ( 1792 PWs) bands (ev): -25.6896 -25.6896 -14.8948 -14.8948 -9.5147 -9.5043 -9.2750 -9.2630 -9.2143 -9.2030 -1.4372 -1.4361 -1.1423 -1.1385 -1.0530 -1.0507 2.0263 2.0275 9.3920 9.3962 10.0028 10.0053 10.7563 10.7591 11.6450 11.6496 k = 0.3836-0.4018 0.5083 ( 1792 PWs) bands (ev): -25.6903 -25.6903 -14.8963 -14.8963 -9.5145 -9.5037 -9.2751 -9.2627 -9.2113 -9.1994 -1.4285 -1.4274 -1.1343 -1.1307 -1.0389 -1.0369 2.0171 2.0184 9.3338 9.3379 10.0066 10.0089 10.7214 10.7241 11.6403 11.6450 k = 0.3752-0.3931 0.5083 ( 1792 PWs) bands (ev): -25.6909 -25.6909 -14.8979 -14.8978 -9.5142 -9.5032 -9.2749 -9.2623 -9.2081 -9.1957 -1.4197 -1.4185 -1.1256 -1.1223 -1.0242 -1.0224 2.0073 2.0087 9.2756 9.2797 10.0098 10.0119 10.6883 10.6909 11.6332 11.6383 k = 0.3669-0.3843 0.5083 ( 1792 PWs) bands (ev): -25.6916 -25.6916 -14.8995 -14.8995 -9.5138 -9.5027 -9.2746 -9.2618 -9.2046 -9.1918 -1.4108 -1.4096 -1.1163 -1.1133 -1.0089 -1.0074 1.9968 1.9983 9.2179 9.2219 10.0119 10.0138 10.6576 10.6601 11.6235 11.6288 k = 0.3586-0.3756 0.5083 ( 1792 PWs) bands (ev): -25.6924 -25.6924 -14.9013 -14.9012 -9.5133 -9.5023 -9.2741 -9.2612 -9.2008 -9.1877 -1.4020 -1.4008 -1.1063 -1.1036 -0.9931 -0.9917 1.9856 1.9872 9.1611 9.1650 10.0126 10.0143 10.6300 10.6323 11.6104 11.6161 k = 0.3502-0.3669 0.5083 ( 1790 PWs) bands (ev): -25.6932 -25.6932 -14.9031 -14.9031 -9.5128 -9.5018 -9.2734 -9.2605 -9.1968 -9.1834 -1.3934 -1.3923 -1.0957 -1.0933 -0.9768 -0.9755 1.9738 1.9754 9.1055 9.1094 10.0114 10.0129 10.6060 10.6082 11.5936 11.5996 k = 0.3419-0.3581 0.5083 ( 1790 PWs) bands (ev): -25.6940 -25.6940 -14.9051 -14.9050 -9.5122 -9.5014 -9.2724 -9.2597 -9.1926 -9.1789 -1.3852 -1.3841 -1.0845 -1.0824 -0.9601 -0.9589 1.9613 1.9630 9.0517 9.0554 10.0080 10.0092 10.5864 10.5884 11.5726 11.5788 k = 0.3335-0.3494 0.5083 ( 1790 PWs) bands (ev): -25.6948 -25.6948 -14.9071 -14.9071 -9.5115 -9.5010 -9.2712 -9.2587 -9.1882 -9.1742 -1.3775 -1.3765 -1.0726 -1.0708 -0.9429 -0.9417 1.9482 1.9500 8.9998 9.0035 10.0019 10.0029 10.5716 10.5735 11.5478 11.5539 k = 0.3252-0.3407 0.5083 ( 1792 PWs) bands (ev): -25.6957 -25.6957 -14.9092 -14.9092 -9.5107 -9.5007 -9.2698 -9.2575 -9.1836 -9.1693 -1.3705 -1.3695 -1.0601 -1.0586 -0.9254 -0.9241 1.9344 1.9363 8.9501 8.9538 9.9928 9.9936 10.5620 10.5637 11.5197 11.5256 k = 0.3169-0.3319 0.5083 ( 1792 PWs) bands (ev): -25.6966 -25.6966 -14.9114 -14.9114 -9.5099 -9.5003 -9.2681 -9.2562 -9.1787 -9.1643 -1.3642 -1.3633 -1.0468 -1.0457 -0.9076 -0.9062 1.9201 1.9220 8.9030 8.9066 9.9808 9.9813 10.5580 10.5595 11.4889 11.4946 k = 0.3085-0.3232 0.5083 ( 1798 PWs) bands (ev): -25.6976 -25.6976 -14.9137 -14.9136 -9.5090 -9.5000 -9.2662 -9.2546 -9.1737 -9.1592 -1.3589 -1.3581 -1.0329 -1.0322 -0.8895 -0.8880 1.9051 1.9072 8.8586 8.8622 9.9658 9.9661 10.5594 10.5607 11.4561 11.4615 k = 0.3002-0.3145 0.5083 ( 1796 PWs) bands (ev): -25.6985 -25.6985 -14.9160 -14.9159 -9.5081 -9.4996 -9.2640 -9.2529 -9.1685 -9.1539 -1.3546 -1.3538 -1.0183 -1.0179 -0.8712 -0.8695 1.8897 1.8918 8.8171 8.8206 9.9481 9.9484 10.5660 10.5673 11.4218 11.4269 k = 0.2918-0.3057 0.5083 ( 1798 PWs) bands (ev): -25.6995 -25.6995 -14.9184 -14.9183 -9.5071 -9.4992 -9.2616 -9.2509 -9.1632 -9.1485 -1.3515 -1.3506 -1.0030 -1.0029 -0.8526 -0.8508 1.8737 1.8758 8.7787 8.7822 9.9280 9.9284 10.5777 10.5788 11.3864 11.3912 k = 0.2835-0.2970 0.5083 ( 1798 PWs) bands (ev): -25.7004 -25.7004 -14.9208 -14.9208 -9.5060 -9.4987 -9.2589 -9.2486 -9.1577 -9.1429 -1.3495 -1.3486 -0.9873 -0.9871 -0.8339 -0.8319 1.8572 1.8594 8.7435 8.7469 9.9061 9.9067 10.5939 10.5949 11.3502 11.3546 k = 0.2752-0.2883 0.5083 ( 1794 PWs) bands (ev): -25.7014 -25.7014 -14.9233 -14.9232 -9.5049 -9.4982 -9.2561 -9.2461 -9.1521 -9.1373 -1.3487 -1.3478 -0.9711 -0.9705 -0.8150 -0.8129 1.8402 1.8425 8.7116 8.7150 9.8828 9.8837 10.6143 10.6153 11.3134 11.3175 k = 0.2668-0.2795 0.5083 ( 1800 PWs) bands (ev): -25.7024 -25.7024 -14.9258 -14.9258 -9.5038 -9.4977 -9.2530 -9.2433 -9.1463 -9.1316 -1.3493 -1.3483 -0.9543 -0.9533 -0.7961 -0.7939 1.8228 1.8252 8.6830 8.6864 9.8585 9.8596 10.6384 10.6394 11.2761 11.2800 k = 0.2585-0.2708 0.5083 ( 1798 PWs) bands (ev): -25.7034 -25.7034 -14.9284 -14.9283 -9.5026 -9.4970 -9.2497 -9.2403 -9.1405 -9.1258 -1.3511 -1.3501 -0.9369 -0.9357 -0.7773 -0.7749 1.8050 1.8075 8.6579 8.6612 9.8337 9.8349 10.6659 10.6669 11.2387 11.2423 k = 0.2502-0.2620 0.5083 ( 1798 PWs) bands (ev): -25.7044 -25.7044 -14.9310 -14.9309 -9.5014 -9.4963 -9.2463 -9.2370 -9.1346 -9.1200 -1.3541 -1.3531 -0.9191 -0.9175 -0.7584 -0.7559 1.7869 1.7894 8.6361 8.6394 9.8085 9.8098 10.6964 10.6974 11.2012 11.2046 k = 0.2418-0.2533 0.5083 ( 1798 PWs) bands (ev): -25.7055 -25.7055 -14.9336 -14.9335 -9.5002 -9.4954 -9.2427 -9.2335 -9.1286 -9.1141 -1.3584 -1.3573 -0.9009 -0.8990 -0.7397 -0.7370 1.7686 1.7711 8.6178 8.6211 9.7831 9.7847 10.7296 10.7306 11.1639 11.1670 k = 0.2335-0.2446 0.5083 ( 1802 PWs) bands (ev): -25.7065 -25.7065 -14.9363 -14.9362 -9.4990 -9.4945 -9.2390 -9.2298 -9.1226 -9.1082 -1.3638 -1.3627 -0.8823 -0.8802 -0.7211 -0.7183 1.7500 1.7526 8.6029 8.6061 9.7580 9.7596 10.7651 10.7661 11.1269 11.1297 k = 0.2251-0.2358 0.5083 ( 1800 PWs) bands (ev): -25.7075 -25.7075 -14.9389 -14.9388 -9.4978 -9.4934 -9.2351 -9.2258 -9.1165 -9.1023 -1.3703 -1.3692 -0.8635 -0.8611 -0.7028 -0.6998 1.7312 1.7339 8.5914 8.5945 9.7331 9.7349 10.8024 10.8034 11.0906 11.0932 k = 0.2168-0.2271 0.5083 ( 1800 PWs) bands (ev): -25.7085 -25.7085 -14.9415 -14.9414 -9.4966 -9.4922 -9.2311 -9.2217 -9.1104 -9.0965 -1.3779 -1.3767 -0.8445 -0.8419 -0.6846 -0.6815 1.7124 1.7151 8.5831 8.5861 9.7086 9.7105 10.8407 10.8418 11.0556 11.0580 k = 0.2085-0.2184 0.5083 ( 1800 PWs) bands (ev): -25.7095 -25.7095 -14.9441 -14.9440 -9.4955 -9.4909 -9.2269 -9.2174 -9.1044 -9.0906 -1.3865 -1.3853 -0.8255 -0.8226 -0.6669 -0.6636 1.6935 1.6963 8.5779 8.5809 9.6846 9.6866 10.8780 10.8791 11.0238 11.0259 k = 0.2001-0.2096 0.5083 ( 1802 PWs) bands (ev): -25.7105 -25.7105 -14.9468 -14.9466 -9.4943 -9.4895 -9.2227 -9.2129 -9.0983 -9.0848 -1.3960 -1.3947 -0.8064 -0.8034 -0.6495 -0.6461 1.6747 1.6775 8.5759 8.5788 9.6611 9.6632 10.9070 10.9082 11.0024 11.0040 k = 0.1918-0.2009 0.5083 ( 1802 PWs) bands (ev): -25.7114 -25.7114 -14.9494 -14.9492 -9.4930 -9.4880 -9.2183 -9.2084 -9.0923 -9.0791 -1.4062 -1.4049 -0.7874 -0.7842 -0.6325 -0.6289 1.6560 1.6588 8.5768 8.5796 9.6382 9.6404 10.9086 10.9103 11.0099 11.0112 k = 0.1834-0.1922 0.5083 ( 1802 PWs) bands (ev): -25.7124 -25.7124 -14.9519 -14.9518 -9.4918 -9.4865 -9.2139 -9.2038 -9.0864 -9.0735 -1.4171 -1.4158 -0.7686 -0.7651 -0.6159 -0.6123 1.6375 1.6403 8.5805 8.5833 9.6159 9.6181 10.8854 10.8872 11.0439 11.0450 k = 0.1751-0.1834 0.5083 ( 1800 PWs) bands (ev): -25.7133 -25.7133 -14.9544 -14.9543 -9.4905 -9.4850 -9.2094 -9.1992 -9.0805 -9.0679 -1.4286 -1.4273 -0.7499 -0.7463 -0.5999 -0.5961 1.6192 1.6220 8.5869 8.5896 9.5942 9.5965 10.8547 10.8565 11.0865 11.0876 k = 0.1668-0.1747 0.5083 ( 1800 PWs) bands (ev): -25.7142 -25.7142 -14.9569 -14.9567 -9.4891 -9.4834 -9.2049 -9.1946 -9.0747 -9.0625 -1.4405 -1.4393 -0.7315 -0.7277 -0.5844 -0.5805 1.6013 1.6041 8.5957 8.5984 9.5731 9.5755 10.8223 10.8239 11.1317 11.1328 k = 0.1584-0.1660 0.5083 ( 1796 PWs) bands (ev): -25.7151 -25.7151 -14.9593 -14.9591 -9.4877 -9.4818 -9.2003 -9.1900 -9.0690 -9.0572 -1.4528 -1.4516 -0.7135 -0.7095 -0.5696 -0.5656 1.5838 1.5866 8.6069 8.6095 9.5526 9.5550 10.7895 10.7910 11.1773 11.1784 k = 0.1501-0.1572 0.5083 ( 1798 PWs) bands (ev): -25.7159 -25.7159 -14.9616 -14.9615 -9.4863 -9.4803 -9.1958 -9.1855 -9.0635 -9.0521 -1.4654 -1.4641 -0.6958 -0.6918 -0.5555 -0.5513 1.5667 1.5695 8.6203 8.6227 9.5327 9.5351 10.7571 10.7585 11.2217 11.2228 k = 0.1418-0.1485 0.5083 ( 1802 PWs) bands (ev): -25.7168 -25.7168 -14.9639 -14.9637 -9.4849 -9.4788 -9.1913 -9.1811 -9.0581 -9.0472 -1.4780 -1.4768 -0.6787 -0.6744 -0.5421 -0.5378 1.5502 1.5529 8.6355 8.6379 9.5133 9.5158 10.7252 10.7265 11.2635 11.2645 k = 0.1334-0.1398 0.5083 ( 1802 PWs) bands (ev): -25.7176 -25.7176 -14.9661 -14.9659 -9.4834 -9.4773 -9.1869 -9.1767 -9.0529 -9.0424 -1.4907 -1.4895 -0.6620 -0.6577 -0.5294 -0.5250 1.5343 1.5369 8.6526 8.6548 9.4945 9.4970 10.6941 10.6953 11.3004 11.3015 k = 0.1251-0.1310 0.5083 ( 1800 PWs) bands (ev): -25.7183 -25.7183 -14.9681 -14.9680 -9.4819 -9.4758 -9.1825 -9.1726 -9.0479 -9.0379 -1.5033 -1.5021 -0.6459 -0.6415 -0.5174 -0.5130 1.5191 1.5216 8.6711 8.6733 9.4762 9.4786 10.6639 10.6650 11.3302 11.3313 k = 0.1167-0.1223 0.5083 ( 1796 PWs) bands (ev): -25.7190 -25.7190 -14.9701 -14.9700 -9.4804 -9.4744 -9.1782 -9.1685 -9.0430 -9.0336 -1.5156 -1.5145 -0.6303 -0.6259 -0.5063 -0.5018 1.5046 1.5071 8.6910 8.6931 9.4583 9.4607 10.6347 10.6357 11.3505 11.3515 k = 0.1084-0.1136 0.5083 ( 1798 PWs) bands (ev): -25.7197 -25.7197 -14.9720 -14.9719 -9.4789 -9.4731 -9.1740 -9.1647 -9.0384 -9.0295 -1.5277 -1.5266 -0.6155 -0.6110 -0.4960 -0.4915 1.4908 1.4932 8.7120 8.7139 9.4409 9.4432 10.6067 10.6076 11.3599 11.3609 k = 0.1001-0.1048 0.5083 ( 1800 PWs) bands (ev): -25.7203 -25.7203 -14.9738 -14.9737 -9.4775 -9.4719 -9.1700 -9.1612 -9.0340 -9.0257 -1.5393 -1.5383 -0.6014 -0.5969 -0.4866 -0.4821 1.4779 1.4802 8.7337 8.7356 9.4238 9.4261 10.5800 10.5808 11.3592 11.3602 k = 0.0917-0.0961 0.5083 ( 1802 PWs) bands (ev): -25.7209 -25.7209 -14.9755 -14.9754 -9.4761 -9.4707 -9.1662 -9.1578 -9.0299 -9.0222 -1.5503 -1.5494 -0.5881 -0.5836 -0.4781 -0.4736 1.4659 1.4681 8.7561 8.7578 9.4072 9.4094 10.5547 10.5555 11.3506 11.3516 k = 0.0834-0.0873 0.5083 ( 1804 PWs) bands (ev): -25.7215 -25.7215 -14.9770 -14.9769 -9.4747 -9.4696 -9.1626 -9.1548 -9.0260 -9.0190 -1.5608 -1.5599 -0.5755 -0.5711 -0.4704 -0.4659 1.4549 1.4569 8.7788 8.7804 9.3909 9.3930 10.5310 10.5316 11.3367 11.3377 k = 0.0750-0.0786 0.5083 ( 1804 PWs) bands (ev): -25.7220 -25.7220 -14.9784 -14.9783 -9.4734 -9.4687 -9.1592 -9.1520 -9.0225 -9.0160 -1.5705 -1.5697 -0.5638 -0.5595 -0.4636 -0.4592 1.4448 1.4466 8.8014 8.8029 9.3751 9.3771 10.5089 10.5095 11.3200 11.3209 k = 0.0667-0.0699 0.5083 ( 1806 PWs) bands (ev): -25.7225 -25.7225 -14.9797 -14.9796 -9.4721 -9.4678 -9.1560 -9.1495 -9.0192 -9.0134 -1.5795 -1.5787 -0.5530 -0.5489 -0.4576 -0.4534 1.4357 1.4374 8.8237 8.8251 9.3598 9.3616 10.4886 10.4892 11.3022 11.3030 k = 0.0584-0.0611 0.5083 ( 1808 PWs) bands (ev): -25.7229 -25.7229 -14.9808 -14.9808 -9.4710 -9.4671 -9.1532 -9.1473 -9.0162 -9.0111 -1.5875 -1.5869 -0.5432 -0.5393 -0.4524 -0.4485 1.4276 1.4291 8.8453 8.8466 9.3451 9.3468 10.4704 10.4708 11.2846 11.2853 k = 0.0500-0.0524 0.5083 ( 1812 PWs) bands (ev): -25.7232 -25.7232 -14.9818 -14.9818 -9.4699 -9.4665 -9.1506 -9.1455 -9.0136 -9.0092 -1.5947 -1.5941 -0.5345 -0.5309 -0.4481 -0.4445 1.4205 1.4219 8.8658 8.8670 9.3312 9.3327 10.4542 10.4546 11.2680 11.2687 k = 0.0417-0.0437 0.5083 ( 1814 PWs) bands (ev): -25.7235 -25.7235 -14.9827 -14.9826 -9.4689 -9.4661 -9.1483 -9.1440 -9.0112 -9.0076 -1.6008 -1.6003 -0.5268 -0.5236 -0.4445 -0.4413 1.4146 1.4157 8.8847 8.8857 9.3184 9.3197 10.4402 10.4405 11.2533 11.2539 k = 0.0334-0.0349 0.5083 ( 1814 PWs) bands (ev): -25.7238 -25.7238 -14.9834 -14.9834 -9.4680 -9.4657 -9.1463 -9.1428 -9.0092 -9.0063 -1.6059 -1.6055 -0.5203 -0.5176 -0.4416 -0.4388 1.4097 1.4106 8.9014 8.9023 9.3069 9.3081 10.4286 10.4289 11.2407 11.2412 k = 0.0250-0.0262 0.5083 ( 1814 PWs) bands (ev): -25.7240 -25.7240 -14.9839 -14.9839 -9.4673 -9.4655 -9.1446 -9.1420 -9.0076 -9.0054 -1.6099 -1.6096 -0.5151 -0.5129 -0.4393 -0.4371 1.4059 1.4066 8.9154 8.9161 9.2974 9.2982 10.4195 10.4197 11.2306 11.2310 k = 0.0167-0.0175 0.5083 ( 1816 PWs) bands (ev): -25.7241 -25.7241 -14.9843 -14.9843 -9.4667 -9.4655 -9.1433 -9.1415 -9.0063 -9.0048 -1.6127 -1.6125 -0.5111 -0.5097 -0.4376 -0.4361 1.4032 1.4037 8.9260 8.9265 9.2901 9.2907 10.4129 10.4130 11.2233 11.2236 k = 0.0083-0.0087 0.5083 ( 1818 PWs) bands (ev): -25.7242 -25.7242 -14.9846 -14.9846 -9.4662 -9.4656 -9.1423 -9.1415 -9.0054 -9.0047 -1.6144 -1.6143 -0.5086 -0.5078 -0.4364 -0.4356 1.4017 1.4019 8.9327 8.9329 9.2855 9.2858 10.4089 10.4090 11.2189 11.2190 k = 0.0000 0.0000 0.5083 ( 1818 PWs) bands (ev): -25.7242 -25.7242 -14.9846 -14.9846 -9.4658 -9.4658 -9.1417 -9.1417 -9.0049 -9.0049 -1.6150 -1.6150 -0.5075 -0.5075 -0.4357 -0.4357 1.4012 1.4012 8.9350 8.9350 9.2841 9.2841 10.4076 10.4076 11.2175 11.2175 k = 0.0000 0.0000 0.5083 ( 1818 PWs) bands (ev): -25.7242 -25.7242 -14.9846 -14.9846 -9.4658 -9.4658 -9.1417 -9.1417 -9.0049 -9.0049 -1.6150 -1.6150 -0.5075 -0.5075 -0.4357 -0.4357 1.4012 1.4012 8.9350 8.9350 9.2841 9.2841 10.4076 10.4076 11.2175 11.2175 k = 0.0087 0.0083 0.5083 ( 1818 PWs) bands (ev): -25.7242 -25.7242 -14.9846 -14.9846 -9.4660 -9.4658 -9.1419 -9.1418 -9.0051 -9.0051 -1.6144 -1.6144 -0.5079 -0.5078 -0.4364 -0.4363 1.4014 1.4016 8.9351 8.9351 9.2837 9.2838 10.4094 10.4095 11.2174 11.2175 k = 0.0174 0.0167 0.5083 ( 1817 PWs) bands (ev): -25.7241 -25.7241 -14.9843 -14.9843 -9.4662 -9.4658 -9.1425 -9.1422 -9.0058 -9.0057 -1.6128 -1.6127 -0.5091 -0.5090 -0.4382 -0.4382 1.4020 1.4024 8.9353 8.9354 9.2824 9.2826 10.4148 10.4150 11.2174 11.2175 k = 0.0262 0.0250 0.5083 ( 1815 PWs) bands (ev): -25.7240 -25.7240 -14.9839 -14.9839 -9.4665 -9.4660 -9.1433 -9.1429 -9.0069 -9.0067 -1.6101 -1.6099 -0.5112 -0.5110 -0.4412 -0.4412 1.4032 1.4038 8.9358 8.9359 9.2805 9.2807 10.4238 10.4241 11.2173 11.2175 k = 0.0349 0.0333 0.5083 ( 1815 PWs) bands (ev): -25.7238 -25.7238 -14.9833 -14.9833 -9.4669 -9.4662 -9.1444 -9.1439 -9.0084 -9.0082 -1.6063 -1.6060 -0.5141 -0.5139 -0.4454 -0.4453 1.4049 1.4057 8.9365 8.9366 9.2778 9.2781 10.4363 10.4367 11.2172 11.2175 k = 0.0436 0.0416 0.5083 ( 1813 PWs) bands (ev): -25.7235 -25.7235 -14.9826 -14.9826 -9.4674 -9.4665 -9.1458 -9.1451 -9.0103 -9.0101 -1.6015 -1.6011 -0.5178 -0.5176 -0.4507 -0.4507 1.4071 1.4081 8.9374 8.9376 9.2744 9.2749 10.4521 10.4526 11.2170 11.2173 k = 0.0523 0.0500 0.5083 ( 1811 PWs) bands (ev): -25.7232 -25.7232 -14.9817 -14.9817 -9.4680 -9.4670 -9.1475 -9.1467 -9.0126 -9.0124 -1.5957 -1.5953 -0.5224 -0.5221 -0.4572 -0.4572 1.4099 1.4111 8.9388 8.9390 9.2704 9.2710 10.4712 10.4718 11.2166 11.2170 k = 0.0611 0.0583 0.5083 ( 1809 PWs) bands (ev): -25.7228 -25.7228 -14.9807 -14.9807 -9.4687 -9.4675 -9.1495 -9.1486 -9.0153 -9.0151 -1.5889 -1.5884 -0.5278 -0.5275 -0.4648 -0.4648 1.4133 1.4147 8.9406 8.9408 9.2659 9.2665 10.4932 10.4939 11.2161 11.2165 k = 0.0698 0.0666 0.5083 ( 1811 PWs) bands (ev): -25.7224 -25.7224 -14.9795 -14.9795 -9.4694 -9.4681 -9.1517 -9.1507 -9.0185 -9.0182 -1.5812 -1.5807 -0.5342 -0.5338 -0.4735 -0.4735 1.4173 1.4188 8.9429 8.9431 9.2609 9.2616 10.5181 10.5189 11.2152 11.2158 k = 0.0785 0.0750 0.5083 ( 1808 PWs) bands (ev): -25.7219 -25.7219 -14.9782 -14.9781 -9.4702 -9.4688 -9.1541 -9.1531 -9.0219 -9.0217 -1.5727 -1.5722 -0.5413 -0.5410 -0.4833 -0.4832 1.4219 1.4236 8.9458 8.9460 9.2556 9.2563 10.5455 10.5464 11.2141 11.2147 k = 0.0872 0.0833 0.5083 ( 1810 PWs) bands (ev): -25.7213 -25.7213 -14.9767 -14.9767 -9.4711 -9.4696 -9.1569 -9.1558 -9.0257 -9.0255 -1.5635 -1.5629 -0.5495 -0.5491 -0.4941 -0.4940 1.4273 1.4291 8.9494 8.9496 9.2499 9.2508 10.5752 10.5762 11.2126 11.2132 k = 0.0960 0.0916 0.5083 ( 1808 PWs) bands (ev): -25.7208 -25.7208 -14.9751 -14.9751 -9.4720 -9.4705 -9.1598 -9.1586 -9.0298 -9.0296 -1.5536 -1.5530 -0.5584 -0.5581 -0.5058 -0.5057 1.4333 1.4352 8.9537 8.9540 9.2442 9.2451 10.6070 10.6080 11.2106 11.2113 k = 0.1047 0.0999 0.5083 ( 1810 PWs) bands (ev): -25.7201 -25.7201 -14.9734 -14.9733 -9.4729 -9.4714 -9.1629 -9.1618 -9.0343 -9.0340 -1.5432 -1.5425 -0.5684 -0.5681 -0.5185 -0.5184 1.4401 1.4421 8.9589 8.9592 9.2384 9.2394 10.6405 10.6416 11.2083 11.2091 k = 0.1134 0.1083 0.5083 ( 1814 PWs) bands (ev): -25.7195 -25.7195 -14.9716 -14.9715 -9.4739 -9.4724 -9.1662 -9.1651 -9.0390 -9.0388 -1.5322 -1.5315 -0.5793 -0.5790 -0.5320 -0.5319 1.4477 1.4498 8.9651 8.9653 9.2327 9.2338 10.6754 10.6765 11.2056 11.2063 k = 0.1221 0.1166 0.5083 ( 1810 PWs) bands (ev): -25.7187 -25.7187 -14.9696 -14.9695 -9.4749 -9.4735 -9.1697 -9.1687 -9.0439 -9.0437 -1.5208 -1.5201 -0.5910 -0.5908 -0.5464 -0.5463 1.4561 1.4582 8.9722 8.9725 9.2273 9.2285 10.7114 10.7126 11.2025 11.2033 k = 0.1309 0.1249 0.5083 ( 1814 PWs) bands (ev): -25.7180 -25.7180 -14.9675 -14.9674 -9.4759 -9.4746 -9.1733 -9.1724 -9.0492 -9.0490 -1.5092 -1.5084 -0.6038 -0.6035 -0.5616 -0.5614 1.4653 1.4674 8.9804 8.9807 9.2223 9.2235 10.7481 10.7494 11.1991 11.1999 k = 0.1396 0.1332 0.5083 ( 1816 PWs) bands (ev): -25.7172 -25.7172 -14.9654 -14.9653 -9.4770 -9.4758 -9.1771 -9.1763 -9.0546 -9.0544 -1.4974 -1.4966 -0.6174 -0.6172 -0.5774 -0.5772 1.4753 1.4775 8.9897 8.9900 9.2179 9.2191 10.7853 10.7866 11.1954 11.1962 k = 0.1483 0.1416 0.5083 ( 1818 PWs) bands (ev): -25.7164 -25.7164 -14.9631 -14.9630 -9.4780 -9.4770 -9.1810 -9.1803 -9.0602 -9.0601 -1.4854 -1.4847 -0.6318 -0.6317 -0.5939 -0.5937 1.4862 1.4883 9.0001 9.0004 9.2142 9.2155 10.8226 10.8239 11.1916 11.1924 k = 0.1570 0.1499 0.5083 ( 1820 PWs) bands (ev): -25.7155 -25.7155 -14.9607 -14.9606 -9.4790 -9.4782 -9.1849 -9.1844 -9.0660 -9.0659 -1.4735 -1.4728 -0.6471 -0.6471 -0.6110 -0.6108 1.4980 1.5001 9.0117 9.0120 9.2113 9.2126 10.8595 10.8609 11.1877 11.1886 k = 0.1658 0.1582 0.5083 ( 1822 PWs) bands (ev): -25.7146 -25.7146 -14.9583 -14.9582 -9.4801 -9.4794 -9.1889 -9.1886 -9.0719 -9.0719 -1.4618 -1.4610 -0.6634 -0.6633 -0.6286 -0.6284 1.5106 1.5127 9.0246 9.0248 9.2095 9.2108 10.8959 10.8973 11.1839 11.1848 k = 0.1745 0.1666 0.5083 ( 1820 PWs) bands (ev): -25.7137 -25.7137 -14.9558 -14.9557 -9.4811 -9.4807 -9.1930 -9.1929 -9.0779 -9.0779 -1.4503 -1.4495 -0.6803 -0.6802 -0.6467 -0.6464 1.5241 1.5261 9.0386 9.0389 9.2088 9.2102 10.9312 10.9327 11.1804 11.1813 k = 0.1832 0.1749 0.5083 ( 1818 PWs) bands (ev): -25.7127 -25.7127 -14.9532 -14.9531 -9.4821 -9.4820 -9.1973 -9.1971 -9.0841 -9.0840 -1.4392 -1.4384 -0.6980 -0.6978 -0.6652 -0.6649 1.5384 1.5403 9.0539 9.0541 9.2094 9.2108 10.9654 10.9668 11.1773 11.1781 k = 0.1919 0.1832 0.5083 ( 1820 PWs) bands (ev): -25.7117 -25.7117 -14.9506 -14.9505 -9.4833 -9.4831 -9.2016 -9.2011 -9.0904 -9.0903 -1.4285 -1.4277 -0.7164 -0.7160 -0.6840 -0.6838 1.5535 1.5554 9.0705 9.0707 9.2114 9.2129 10.9979 10.9994 11.1746 11.1754 k = 0.2006 0.1915 0.5083 ( 1820 PWs) bands (ev): -25.7107 -25.7107 -14.9480 -14.9479 -9.4846 -9.4840 -9.2060 -9.2052 -9.0967 -9.0965 -1.4183 -1.4176 -0.7353 -0.7348 -0.7032 -0.7029 1.5695 1.5712 9.0882 9.0884 9.2150 9.2165 11.0287 11.0301 11.1727 11.1734 k = 0.2094 0.1999 0.5083 ( 1819 PWs) bands (ev): -25.7097 -25.7097 -14.9453 -14.9452 -9.4859 -9.4850 -9.2104 -9.2092 -9.1030 -9.1028 -1.4089 -1.4082 -0.7547 -0.7542 -0.7226 -0.7222 1.5862 1.5878 9.1072 9.1074 9.2203 9.2218 11.0574 11.0589 11.1716 11.1722 k = 0.2181 0.2082 0.5083 ( 1819 PWs) bands (ev): -25.7087 -25.7087 -14.9426 -14.9425 -9.4872 -9.4859 -9.2147 -9.2131 -9.1094 -9.1091 -1.4002 -1.3995 -0.7745 -0.7739 -0.7421 -0.7418 1.6036 1.6051 9.1275 9.1276 9.2273 9.2288 11.0839 11.0853 11.1714 11.1720 k = 0.2268 0.2165 0.5083 ( 1817 PWs) bands (ev): -25.7076 -25.7076 -14.9398 -14.9397 -9.4886 -9.4868 -9.2189 -9.2169 -9.1157 -9.1154 -1.3923 -1.3917 -0.7946 -0.7939 -0.7617 -0.7613 1.6217 1.6231 9.1489 9.1490 9.2362 9.2376 11.1080 11.1095 11.1723 11.1728 k = 0.2355 0.2249 0.5083 ( 1819 PWs) bands (ev): -25.7066 -25.7066 -14.9371 -14.9370 -9.4899 -9.4877 -9.2231 -9.2207 -9.1220 -9.1216 -1.3853 -1.3848 -0.8150 -0.8142 -0.7813 -0.7810 1.6403 1.6417 9.1714 9.1715 9.2469 9.2484 11.1297 11.1311 11.1744 11.1748 k = 0.2443 0.2332 0.5083 ( 1815 PWs) bands (ev): -25.7055 -25.7055 -14.9343 -14.9343 -9.4912 -9.4885 -9.2271 -9.2243 -9.1283 -9.1278 -1.3794 -1.3789 -0.8354 -0.8346 -0.8009 -0.8006 1.6596 1.6608 9.1951 9.1951 9.2596 9.2610 11.1489 11.1502 11.1778 11.1781 k = 0.2530 0.2415 0.5083 ( 1817 PWs) bands (ev): -25.7045 -25.7045 -14.9316 -14.9315 -9.4925 -9.4894 -9.2310 -9.2278 -9.1345 -9.1340 -1.3745 -1.3741 -0.8559 -0.8550 -0.8205 -0.8202 1.6793 1.6804 9.2198 9.2198 9.2743 9.2756 11.1655 11.1667 11.1826 11.1828 k = 0.2617 0.2498 0.5083 ( 1815 PWs) bands (ev): -25.7034 -25.7034 -14.9289 -14.9288 -9.4937 -9.4902 -9.2347 -9.2312 -9.1406 -9.1400 -1.3707 -1.3704 -0.8763 -0.8754 -0.8399 -0.8396 1.6994 1.7004 9.2454 9.2456 9.2909 9.2921 11.1793 11.1803 11.1891 11.1893 k = 0.2704 0.2582 0.5083 ( 1811 PWs) bands (ev): -25.7024 -25.7024 -14.9262 -14.9261 -9.4950 -9.4911 -9.2383 -9.2343 -9.1465 -9.1459 -1.3680 -1.3679 -0.8964 -0.8955 -0.8591 -0.8588 1.7199 1.7208 9.2720 9.2722 9.3094 9.3106 11.1905 11.1910 11.1974 11.1978 k = 0.2792 0.2665 0.5083 ( 1812 PWs) bands (ev): -25.7013 -25.7013 -14.9236 -14.9235 -9.4962 -9.4919 -9.2417 -9.2374 -9.1524 -9.1517 -1.3666 -1.3666 -0.9163 -0.9154 -0.8781 -0.8778 1.7406 1.7413 9.2994 9.2998 9.3299 9.3309 11.1998 11.2001 11.2067 11.2071 k = 0.2879 0.2748 0.5083 ( 1813 PWs) bands (ev): -25.7003 -25.7003 -14.9210 -14.9209 -9.4975 -9.4928 -9.2448 -9.2402 -9.1582 -9.1574 -1.3664 -1.3663 -0.9357 -0.9348 -0.8967 -0.8964 1.7614 1.7621 9.3275 9.3280 9.3522 9.3531 11.2076 11.2080 11.2167 11.2168 k = 0.2966 0.2831 0.5083 ( 1813 PWs) bands (ev): -25.6993 -25.6993 -14.9184 -14.9184 -9.4987 -9.4936 -9.2478 -9.2429 -9.1638 -9.1630 -1.3675 -1.3672 -0.9546 -0.9538 -0.9150 -0.9148 1.7823 1.7829 9.3561 9.3569 9.3764 9.3770 11.2133 11.2138 11.2277 11.2283 k = 0.3053 0.2915 0.5083 ( 1813 PWs) bands (ev): -25.6983 -25.6983 -14.9159 -14.9159 -9.4998 -9.4945 -9.2506 -9.2454 -9.1692 -9.1683 -1.3697 -1.3692 -0.9729 -0.9721 -0.9329 -0.9327 1.8032 1.8037 9.3852 9.3863 9.4023 9.4026 11.2167 11.2173 11.2404 11.2415 k = 0.3141 0.2998 0.5083 ( 1810 PWs) bands (ev): -25.6973 -25.6973 -14.9135 -14.9134 -9.5010 -9.4953 -9.2531 -9.2477 -9.1745 -9.1735 -1.3730 -1.3724 -0.9905 -0.9898 -0.9504 -0.9501 1.8240 1.8244 9.4146 9.4160 9.4298 9.4298 11.2181 11.2188 11.2546 11.2562 k = 0.3228 0.3081 0.5083 ( 1809 PWs) bands (ev): -25.6964 -25.6964 -14.9111 -14.9111 -9.5021 -9.4962 -9.2553 -9.2499 -9.1796 -9.1785 -1.3774 -1.3766 -1.0073 -1.0068 -0.9673 -0.9671 1.8446 1.8449 9.4443 9.4460 9.4584 9.4587 11.2176 11.2183 11.2702 11.2723 k = 0.3315 0.3165 0.5083 ( 1805 PWs) bands (ev): -25.6954 -25.6954 -14.9089 -14.9088 -9.5032 -9.4971 -9.2574 -9.2518 -9.1844 -9.1832 -1.3827 -1.3818 -1.0234 -1.0230 -0.9837 -0.9835 1.8648 1.8651 9.4743 9.4762 9.4881 9.4887 11.2156 11.2163 11.2869 11.2894 k = 0.3402 0.3248 0.5083 ( 1799 PWs) bands (ev): -25.6945 -25.6945 -14.9066 -14.9066 -9.5042 -9.4980 -9.2592 -9.2536 -9.1891 -9.1878 -1.3889 -1.3878 -1.0387 -1.0384 -0.9995 -0.9993 1.8847 1.8849 9.5046 9.5066 9.5187 9.5194 11.2121 11.2127 11.3045 11.3075 k = 0.3490 0.3331 0.5083 ( 1797 PWs) bands (ev): -25.6936 -25.6936 -14.9045 -14.9045 -9.5052 -9.4989 -9.2608 -9.2552 -9.1935 -9.1921 -1.3958 -1.3946 -1.0531 -1.0530 -1.0147 -1.0145 1.9041 1.9042 9.5351 9.5371 9.5497 9.5505 11.2073 11.2079 11.3227 11.3263 k = 0.3577 0.3414 0.5083 ( 1801 PWs) bands (ev): -25.6928 -25.6928 -14.9025 -14.9025 -9.5061 -9.4999 -9.2622 -9.2567 -9.1978 -9.1962 -1.4034 -1.4020 -1.0668 -1.0667 -1.0293 -1.0291 1.9228 1.9229 9.5657 9.5676 9.5810 9.5817 11.2013 11.2019 11.3413 11.3455 k = 0.3664 0.3498 0.5083 ( 1799 PWs) bands (ev): -25.6920 -25.6920 -14.9006 -14.9006 -9.5070 -9.5008 -9.2634 -9.2581 -9.2017 -9.2001 -1.4113 -1.4099 -1.0797 -1.0796 -1.0431 -1.0429 1.9408 1.9409 9.5962 9.5980 9.6123 9.6129 11.1944 11.1949 11.3600 11.3648 k = 0.3751 0.3581 0.5083 ( 1795 PWs) bands (ev): -25.6913 -25.6913 -14.8988 -14.8987 -9.5078 -9.5017 -9.2643 -9.2593 -9.2055 -9.2037 -1.4196 -1.4181 -1.0917 -1.0915 -1.0562 -1.0561 1.9581 1.9581 9.6264 9.6281 9.6433 9.6439 11.1868 11.1873 11.3784 11.3839 k = 0.3839 0.3664 0.5083 ( 1799 PWs) bands (ev): -25.6906 -25.6906 -14.8971 -14.8971 -9.5086 -9.5027 -9.2651 -9.2604 -9.2090 -9.2071 -1.4280 -1.4264 -1.1030 -1.1027 -1.0686 -1.0685 1.9744 1.9744 9.6561 9.6577 9.6738 9.6743 11.1786 11.1790 11.3963 11.4023 k = 0.3926 0.3748 0.5083 ( 1799 PWs) bands (ev): -25.6899 -25.6899 -14.8955 -14.8955 -9.5093 -9.5036 -9.2658 -9.2613 -9.2122 -9.2103 -1.4364 -1.4348 -1.1135 -1.1131 -1.0802 -1.0801 1.9898 1.9898 9.6849 9.6864 9.7036 9.7040 11.1700 11.1705 11.4133 11.4199 k = 0.4013 0.3831 0.5083 ( 1802 PWs) bands (ev): -25.6893 -25.6893 -14.8940 -14.8940 -9.5100 -9.5045 -9.2663 -9.2622 -9.2152 -9.2132 -1.4446 -1.4430 -1.1232 -1.1228 -1.0910 -1.0909 2.0041 2.0042 9.7128 9.7141 9.7324 9.7329 11.1614 11.1618 11.4293 11.4363 k = 0.4100 0.3914 0.5083 ( 1804 PWs) bands (ev): -25.6887 -25.6887 -14.8927 -14.8927 -9.5105 -9.5054 -9.2667 -9.2630 -9.2178 -9.2159 -1.4526 -1.4510 -1.1321 -1.1316 -1.1010 -1.1009 2.0174 2.0174 9.7393 9.7405 9.7602 9.7605 11.1528 11.1532 11.4441 11.4515 k = 0.4187 0.3997 0.5083 ( 1802 PWs) bands (ev): -25.6882 -25.6882 -14.8915 -14.8914 -9.5110 -9.5063 -9.2669 -9.2636 -9.2203 -9.2183 -1.4600 -1.4585 -1.1403 -1.1397 -1.1101 -1.1100 2.0294 2.0295 9.7643 9.7654 9.7866 9.7868 11.1447 11.1450 11.4577 11.4654 k = 0.4275 0.4081 0.5083 ( 1804 PWs) bands (ev): -25.6877 -25.6877 -14.8904 -14.8903 -9.5114 -9.5071 -9.2670 -9.2642 -9.2224 -9.2205 -1.4670 -1.4655 -1.1476 -1.1471 -1.1183 -1.1182 2.0402 2.0403 9.7875 9.7884 9.8113 9.8115 11.1371 11.1374 11.4700 11.4779 k = 0.4362 0.4164 0.5083 ( 1800 PWs) bands (ev): -25.6873 -25.6873 -14.8893 -14.8893 -9.5117 -9.5078 -9.2671 -9.2647 -9.2242 -9.2224 -1.4732 -1.4719 -1.1542 -1.1537 -1.1257 -1.1256 2.0498 2.0498 9.8087 9.8095 9.8344 9.8345 11.1304 11.1306 11.4813 11.4894 k = 0.4449 0.4247 0.5083 ( 1799 PWs) bands (ev): -25.6869 -25.6869 -14.8885 -14.8885 -9.5119 -9.5085 -9.2671 -9.2651 -9.2258 -9.2241 -1.4788 -1.4776 -1.1600 -1.1595 -1.1321 -1.1320 2.0579 2.0580 9.8275 9.8281 9.8555 9.8555 11.1247 11.1249 11.4917 11.4999 k = 0.4536 0.4331 0.5083 ( 1801 PWs) bands (ev): -25.6866 -25.6866 -14.8878 -14.8878 -9.5120 -9.5092 -9.2671 -9.2654 -9.2271 -9.2256 -1.4835 -1.4824 -1.1651 -1.1646 -1.1376 -1.1375 2.0647 2.0647 9.8438 9.8443 9.8744 9.8745 11.1202 11.1204 11.5014 11.5096 k = 0.4624 0.4414 0.5083 ( 1798 PWs) bands (ev): -25.6863 -25.6863 -14.8872 -14.8872 -9.5121 -9.5098 -9.2669 -9.2657 -9.2281 -9.2268 -1.4874 -1.4865 -1.1693 -1.1689 -1.1421 -1.1421 2.0701 2.0701 9.8573 9.8576 9.8911 9.8912 11.1172 11.1174 11.5105 11.5188 k = 0.4711 0.4497 0.5083 ( 1800 PWs) bands (ev): -25.6861 -25.6861 -14.8867 -14.8867 -9.5120 -9.5103 -9.2668 -9.2659 -9.2289 -9.2279 -1.4903 -1.4896 -1.1728 -1.1724 -1.1458 -1.1457 2.0740 2.0740 9.8678 9.8680 9.9054 9.9055 11.1158 11.1159 11.5192 11.5275 k = 0.4798 0.4580 0.5083 ( 1798 PWs) bands (ev): -25.6860 -25.6860 -14.8864 -14.8864 -9.5119 -9.5107 -9.2666 -9.2660 -9.2294 -9.2287 -1.4922 -1.4917 -1.1754 -1.1751 -1.1485 -1.1484 2.0765 2.0765 9.8752 9.8754 9.9173 9.9175 11.1160 11.1161 11.5274 11.5359 k = 0.5000 0.4773-0.0413 ( 1796 PWs) bands (ev): -25.7075 -25.7075 -14.9327 -14.9327 -9.5184 -9.5184 -9.3121 -9.3121 -9.0560 -9.0560 -1.2348 -1.2348 -1.0582 -1.0582 -0.2607 -0.2607 1.3780 1.3780 7.8135 7.8135 10.1982 10.1982 10.7121 10.7121 11.4467 11.4467 k = 0.5071 0.4698-0.0413 ( 1798 PWs) bands (ev): -25.7075 -25.7075 -14.9327 -14.9327 -9.5190 -9.5175 -9.3127 -9.3111 -9.0563 -9.0558 -1.2345 -1.2345 -1.0585 -1.0583 -0.2609 -0.2608 1.3779 1.3780 7.8144 7.8145 10.1983 10.1985 10.7128 10.7129 11.4467 11.4469 k = 0.5142 0.4624-0.0413 ( 1800 PWs) bands (ev): -25.7076 -25.7076 -14.9329 -14.9329 -9.5193 -9.5164 -9.3130 -9.3099 -9.0565 -9.0556 -1.2338 -1.2337 -1.0591 -1.0587 -0.2613 -0.2611 1.3776 1.3780 7.8170 7.8172 10.1987 10.1991 10.7149 10.7150 11.4471 11.4475 k = 0.5214 0.4549-0.0413 ( 1800 PWs) bands (ev): -25.7077 -25.7077 -14.9333 -14.9333 -9.5193 -9.5149 -9.3130 -9.3083 -9.0568 -9.0554 -1.2325 -1.2323 -1.0599 -1.0594 -0.2619 -0.2616 1.3774 1.3778 7.8214 7.8217 10.1996 10.2002 10.7184 10.7185 11.4477 11.4483 k = 0.4786-0.5014 0.0000 ( 1800 PWs) bands (ev): -25.7077 -25.7077 -14.9333 -14.9333 -9.5193 -9.5149 -9.3130 -9.3083 -9.0568 -9.0554 -1.2325 -1.2323 -1.0599 -1.0594 -0.2619 -0.2616 1.3774 1.3778 7.8214 7.8217 10.1996 10.2002 10.7184 10.7185 11.4477 11.4483 k = 0.4704-0.4927 0.0000 ( 1792 PWs) bands (ev): -25.7078 -25.7078 -14.9338 -14.9338 -9.5189 -9.5129 -9.3126 -9.3061 -9.0571 -9.0552 -1.2304 -1.2301 -1.0612 -1.0605 -0.2628 -0.2624 1.3769 1.3776 7.8286 7.8290 10.2010 10.2019 10.7239 10.7241 11.4488 11.4496 k = 0.4621-0.4841 0.0000 ( 1792 PWs) bands (ev): -25.7081 -25.7081 -14.9345 -14.9345 -9.5181 -9.5105 -9.3117 -9.3035 -9.0575 -9.0550 -1.2276 -1.2273 -1.0629 -1.0620 -0.2641 -0.2636 1.3764 1.3772 7.8380 7.8385 10.2028 10.2039 10.7308 10.7311 11.4502 11.4513 k = 0.4539-0.4755 0.0000 ( 1792 PWs) bands (ev): -25.7083 -25.7083 -14.9354 -14.9353 -9.5170 -9.5078 -9.3104 -9.3004 -9.0578 -9.0549 -1.2241 -1.2237 -1.0648 -1.0637 -0.2656 -0.2650 1.3756 1.3766 7.8496 7.8502 10.2050 10.2063 10.7389 10.7393 11.4519 11.4533 k = 0.4456-0.4668 0.0000 ( 1788 PWs) bands (ev): -25.7086 -25.7086 -14.9364 -14.9364 -9.5155 -9.5047 -9.3087 -9.2970 -9.0582 -9.0548 -1.2200 -1.2196 -1.0670 -1.0657 -0.2674 -0.2667 1.3747 1.3759 7.8632 7.8639 10.2073 10.2088 10.7477 10.7482 11.4539 11.4555 k = 0.4374-0.4582 0.0000 ( 1790 PWs) bands (ev): -25.7090 -25.7090 -14.9376 -14.9376 -9.5136 -9.5013 -9.3066 -9.2933 -9.0587 -9.0547 -1.2153 -1.2149 -1.0693 -1.0678 -0.2695 -0.2687 1.3735 1.3749 7.8786 7.8794 10.2096 10.2113 10.7568 10.7575 11.4561 11.4580 k = 0.4291-0.4495 0.0000 ( 1790 PWs) bands (ev): -25.7094 -25.7094 -14.9390 -14.9389 -9.5114 -9.4976 -9.3041 -9.2891 -9.0591 -9.0546 -1.2101 -1.2097 -1.0716 -1.0700 -0.2718 -0.2709 1.3721 1.3737 7.8957 7.8967 10.2116 10.2135 10.7659 10.7668 11.4584 11.4606 k = 0.4209-0.4409 0.0000 ( 1790 PWs) bands (ev): -25.7099 -25.7099 -14.9405 -14.9404 -9.5088 -9.4936 -9.3012 -9.2847 -9.0595 -9.0546 -1.2044 -1.2040 -1.0739 -1.0722 -0.2744 -0.2734 1.3705 1.3722 7.9144 7.9154 10.2129 10.2150 10.7745 10.7757 11.4607 11.4631 k = 0.4126-0.4322 0.0000 ( 1794 PWs) bands (ev): -25.7104 -25.7104 -14.9421 -14.9420 -9.5059 -9.4894 -9.2979 -9.2799 -9.0600 -9.0546 -1.1984 -1.1979 -1.0759 -1.0741 -0.2771 -0.2760 1.3685 1.3703 7.9344 7.9354 10.2129 10.2153 10.7823 10.7838 11.4628 11.4655 k = 0.4044-0.4236 0.0000 ( 1800 PWs) bands (ev): -25.7110 -25.7110 -14.9439 -14.9438 -9.5027 -9.4850 -9.2942 -9.2748 -9.0605 -9.0546 -1.1921 -1.1917 -1.0776 -1.0756 -0.2801 -0.2789 1.3661 1.3681 7.9554 7.9566 10.2111 10.2137 10.7890 10.7909 11.4646 11.4676 k = 0.3961-0.4149 0.0000 ( 1800 PWs) bands (ev): -25.7116 -25.7116 -14.9457 -14.9456 -9.4992 -9.4802 -9.2902 -9.2694 -9.0609 -9.0546 -1.1856 -1.1853 -1.0785 -1.0765 -0.2831 -0.2819 1.3633 1.3655 7.9773 7.9785 10.2066 10.2095 10.7946 10.7970 11.4659 11.4692 k = 0.3879-0.4063 0.0000 ( 1798 PWs) bands (ev): -25.7122 -25.7122 -14.9476 -14.9475 -9.4954 -9.4753 -9.2858 -9.2638 -9.0614 -9.0547 -1.1793 -1.1791 -1.0785 -1.0765 -0.2864 -0.2850 1.3601 1.3625 7.9997 8.0010 10.1984 10.2016 10.7995 10.8023 11.4666 11.4702 k = 0.3796-0.3977 0.0000 ( 1800 PWs) bands (ev): -25.7129 -25.7129 -14.9497 -14.9496 -9.4914 -9.4703 -9.2812 -9.2579 -9.0618 -9.0547 -1.1733 -1.1732 -1.0774 -1.0753 -0.2897 -0.2883 1.3564 1.3589 8.0224 8.0238 10.1855 10.1890 10.8040 10.8072 11.4665 11.4704 k = 0.3714-0.3890 0.0000 ( 1808 PWs) bands (ev): -25.7137 -25.7137 -14.9518 -14.9517 -9.4871 -9.4651 -9.2762 -9.2519 -9.0623 -9.0548 -1.1681 -1.1677 -1.0748 -1.0727 -0.2932 -0.2916 1.3521 1.3547 8.0451 8.0465 10.1669 10.1707 10.8090 10.8126 11.4656 11.4698 k = 0.3631-0.3804 0.0000 ( 1812 PWs) bands (ev): -25.7145 -25.7145 -14.9540 -14.9539 -9.4826 -9.4597 -9.2710 -9.2456 -9.0627 -9.0549 -1.1637 -1.1629 -1.0705 -1.0684 -0.2967 -0.2951 1.3473 1.3500 8.0676 8.0690 10.1416 10.1457 10.8152 10.8192 11.4637 11.4682 k = 0.3548-0.3717 0.0000 ( 1810 PWs) bands (ev): -25.7153 -25.7153 -14.9562 -14.9561 -9.4779 -9.4543 -9.2655 -9.2392 -9.0631 -9.0550 -1.1601 -1.1589 -1.0643 -1.0622 -0.3003 -0.2986 1.3417 1.3446 8.0894 8.0909 10.1092 10.1135 10.8235 10.8279 11.4608 11.4657 k = 0.3466-0.3631 0.0000 ( 1812 PWs) bands (ev): -25.7161 -25.7161 -14.9585 -14.9584 -9.4731 -9.4487 -9.2598 -9.2326 -9.0636 -9.0551 -1.1573 -1.1556 -1.0564 -1.0541 -0.3039 -0.3021 1.3355 1.3385 8.1104 8.1119 10.0692 10.0737 10.8344 10.8392 11.4566 11.4619 k = 0.3383-0.3544 0.0000 ( 1812 PWs) bands (ev): -25.7170 -25.7170 -14.9608 -14.9607 -9.4680 -9.4431 -9.2538 -9.2259 -9.0639 -9.0552 -1.1550 -1.1530 -1.0467 -1.0443 -0.3075 -0.3057 1.3286 1.3316 8.1301 8.1316 10.0219 10.0265 10.8482 10.8532 11.4511 11.4567 k = 0.3301-0.3458 0.0000 ( 1812 PWs) bands (ev): -25.7179 -25.7179 -14.9631 -14.9630 -9.4629 -9.4375 -9.2477 -9.2191 -9.0643 -9.0553 -1.1530 -1.1507 -1.0356 -1.0330 -0.3111 -0.3092 1.3209 1.3240 8.1484 8.1499 9.9679 9.9725 10.8647 10.8700 11.4441 11.4499 k = 0.3218-0.3371 0.0000 ( 1812 PWs) bands (ev): -25.7188 -25.7188 -14.9654 -14.9653 -9.4576 -9.4318 -9.2414 -9.2123 -9.0646 -9.0554 -1.1511 -1.1485 -1.0231 -1.0203 -0.3147 -0.3127 1.3123 1.3156 8.1649 8.1664 9.9078 9.9124 10.8833 10.8889 11.4355 11.4416 k = 0.3136-0.3285 0.0000 ( 1812 PWs) bands (ev): -25.7198 -25.7198 -14.9677 -14.9676 -9.4523 -9.4262 -9.2349 -9.2054 -9.0649 -9.0555 -1.1490 -1.1461 -1.0095 -1.0065 -0.3183 -0.3162 1.3029 1.3062 8.1794 8.1809 9.8425 9.8470 10.9033 10.9092 11.4256 11.4318 k = 0.3053-0.3199 0.0000 ( 1808 PWs) bands (ev): -25.7208 -25.7208 -14.9700 -14.9699 -9.4468 -9.4206 -9.2284 -9.1984 -9.0652 -9.0556 -1.1465 -1.1434 -0.9949 -0.9918 -0.3218 -0.3196 1.2926 1.2960 8.1916 8.1932 9.7730 9.7773 10.9234 10.9295 11.4151 11.4214 k = 0.2971-0.3112 0.0000 ( 1814 PWs) bands (ev): -25.7218 -25.7218 -14.9724 -14.9722 -9.4414 -9.4151 -9.2218 -9.1916 -9.0654 -9.0557 -1.1436 -1.1403 -0.9795 -0.9762 -0.3252 -0.3229 1.2813 1.2847 8.2014 8.2029 9.6999 9.7039 10.9418 10.9481 11.4055 11.4116 k = 0.2888-0.3026 0.0000 ( 1816 PWs) bands (ev): -25.7228 -25.7228 -14.9746 -14.9745 -9.4359 -9.4096 -9.2151 -9.1847 -9.0656 -9.0558 -1.1401 -1.1366 -0.9634 -0.9598 -0.3285 -0.3262 1.2690 1.2725 8.2085 8.2100 9.6240 9.6278 10.9564 10.9628 11.3987 11.4046 k = 0.2806-0.2939 0.0000 ( 1818 PWs) bands (ev): -25.7239 -25.7239 -14.9769 -14.9767 -9.4305 -9.4043 -9.2083 -9.1779 -9.0658 -9.0559 -1.1358 -1.1322 -0.9466 -0.9428 -0.3317 -0.3293 1.2558 1.2594 8.2129 8.2143 9.5461 9.5497 10.9649 10.9712 11.3974 11.4026 k = 0.2723-0.2853 0.0000 ( 1818 PWs) bands (ev): -25.7249 -25.7249 -14.9790 -14.9789 -9.4250 -9.3990 -9.2016 -9.1712 -9.0658 -9.0559 -1.1308 -1.1270 -0.9292 -0.9252 -0.3348 -0.3323 1.2415 1.2452 8.2144 8.2158 9.4668 9.4700 10.9651 10.9713 11.4037 11.4082 k = 0.2641-0.2766 0.0000 ( 1816 PWs) bands (ev): -25.7260 -25.7260 -14.9811 -14.9810 -9.4196 -9.3939 -9.1948 -9.1645 -9.0659 -9.0559 -1.1248 -1.1208 -0.9114 -0.9071 -0.3377 -0.3351 1.2263 1.2300 8.2129 8.2143 9.3866 9.3894 10.9560 10.9620 11.4190 11.4225 k = 0.2558-0.2680 0.0000 ( 1812 PWs) bands (ev): -25.7271 -25.7271 -14.9832 -14.9831 -9.4143 -9.3889 -9.1881 -9.1580 -9.0658 -9.0558 -1.1179 -1.1138 -0.8931 -0.8886 -0.3405 -0.3378 1.2100 1.2137 8.2086 8.2099 9.3058 9.3084 10.9381 10.9438 11.4431 11.4457 k = 0.2476-0.2593 0.0000 ( 1805 PWs) bands (ev): -25.7281 -25.7281 -14.9852 -14.9850 -9.4090 -9.3840 -9.1814 -9.1517 -9.0657 -9.0557 -1.1100 -1.1058 -0.8744 -0.8697 -0.3432 -0.3404 1.1927 1.1965 8.2014 8.2026 9.2250 9.2272 10.9128 10.9182 11.4745 11.4765 k = 0.2393-0.2507 0.0000 ( 1805 PWs) bands (ev): -25.7292 -25.7292 -14.9871 -14.9869 -9.4039 -9.3794 -9.1748 -9.1455 -9.0655 -9.0556 -1.1011 -1.0968 -0.8555 -0.8505 -0.3456 -0.3427 1.1743 1.1782 8.1913 8.1925 9.1443 9.1463 10.8818 10.8869 11.5116 11.5133 k = 0.2311-0.2421 0.0000 ( 1805 PWs) bands (ev): -25.7303 -25.7303 -14.9889 -14.9888 -9.3989 -9.3749 -9.1683 -9.1395 -9.0653 -9.0554 -1.0912 -1.0867 -0.8363 -0.8311 -0.3480 -0.3449 1.1550 1.1588 8.1786 8.1798 9.0642 9.0659 10.8468 10.8517 11.5526 11.5542 k = 0.2228-0.2334 0.0000 ( 1809 PWs) bands (ev): -25.7314 -25.7314 -14.9907 -14.9905 -9.3940 -9.3707 -9.1620 -9.1337 -9.0650 -9.0552 -1.0803 -1.0757 -0.8169 -0.8114 -0.3501 -0.3470 1.1346 1.1385 8.1634 8.1645 8.9849 8.9863 10.8092 10.8139 11.5959 11.5977 k = 0.2146-0.2248 0.0000 ( 1819 PWs) bands (ev): -25.7325 -25.7325 -14.9924 -14.9922 -9.3893 -9.3666 -9.1558 -9.1282 -9.0646 -9.0549 -1.0684 -1.0636 -0.7974 -0.7916 -0.3522 -0.3489 1.1132 1.1171 8.1459 8.1469 8.9065 8.9078 10.7701 10.7745 11.6401 11.6423 k = 0.2063-0.2161 0.0000 ( 1819 PWs) bands (ev): -25.7336 -25.7336 -14.9940 -14.9938 -9.3847 -9.3628 -9.1497 -9.1228 -9.0641 -9.0545 -1.0554 -1.0505 -0.7777 -0.7717 -0.3540 -0.3506 1.0909 1.0949 8.1263 8.1273 8.8295 8.8306 10.7301 10.7343 11.6841 11.6867 k = 0.1981-0.2075 0.0000 ( 1821 PWs) bands (ev): -25.7346 -25.7346 -14.9955 -14.9953 -9.3804 -9.3591 -9.1438 -9.1178 -9.0636 -9.0540 -1.0415 -1.0364 -0.7581 -0.7518 -0.3557 -0.3522 1.0677 1.0717 8.1048 8.1058 8.7538 8.7549 10.6900 10.6939 11.7265 11.7295 k = 0.1898-0.1988 0.0000 ( 1821 PWs) bands (ev): -25.7357 -25.7357 -14.9969 -14.9968 -9.3761 -9.3557 -9.1381 -9.1130 -9.0629 -9.0534 -1.0265 -1.0213 -0.7386 -0.7320 -0.3572 -0.3535 1.0437 1.0477 8.0819 8.0828 8.6797 8.6808 10.6500 10.6537 11.7664 11.7697 k = 0.1816-0.1902 0.0000 ( 1817 PWs) bands (ev): -25.7367 -25.7367 -14.9982 -14.9981 -9.3721 -9.3525 -9.1326 -9.1086 -9.0620 -9.0528 -1.0107 -1.0053 -0.7191 -0.7122 -0.3585 -0.3547 1.0190 1.0230 8.0576 8.0585 8.6074 8.6085 10.6105 10.6141 11.8026 11.8064 k = 0.1733-0.1815 0.0000 ( 1819 PWs) bands (ev): -25.7377 -25.7377 -14.9995 -14.9993 -9.3683 -9.3495 -9.1274 -9.1045 -9.0611 -9.0520 -0.9939 -0.9884 -0.6998 -0.6926 -0.3597 -0.3557 0.9935 0.9975 8.0323 8.0332 8.5370 8.5382 10.5718 10.5753 11.8346 11.8386 k = 0.1650-0.1729 0.0000 ( 1819 PWs) bands (ev): -25.7386 -25.7386 -15.0006 -15.0005 -9.3646 -9.3467 -9.1225 -9.1007 -9.0600 -9.0511 -0.9764 -0.9708 -0.6807 -0.6732 -0.3607 -0.3566 0.9673 0.9714 8.0064 8.0072 8.4686 8.4699 10.5341 10.5374 11.8619 11.8662 k = 0.1568-0.1642 0.0000 ( 1817 PWs) bands (ev): -25.7396 -25.7396 -15.0017 -15.0015 -9.3612 -9.3442 -9.1178 -9.0973 -9.0588 -9.0500 -0.9582 -0.9523 -0.6619 -0.6540 -0.3616 -0.3574 0.9407 0.9447 7.9800 7.9808 8.4025 8.4039 10.4975 10.5006 11.8844 11.8889 k = 0.1485-0.1556 0.0000 ( 1819 PWs) bands (ev): -25.7405 -25.7405 -15.0027 -15.0025 -9.3580 -9.3418 -9.1135 -9.0943 -9.0574 -9.0489 -0.9393 -0.9333 -0.6435 -0.6353 -0.3624 -0.3580 0.9136 0.9177 7.9534 7.9543 8.3387 8.3401 10.4621 10.4651 11.9024 11.9071 k = 0.1403-0.1470 0.0000 ( 1817 PWs) bands (ev): -25.7414 -25.7414 -15.0036 -15.0034 -9.3549 -9.3397 -9.1095 -9.0916 -9.0559 -9.0476 -0.9199 -0.9137 -0.6254 -0.6169 -0.3631 -0.3585 0.8863 0.8903 7.9270 7.9278 8.2775 8.2789 10.4281 10.4310 11.9163 11.9212 k = 0.1320-0.1383 0.0000 ( 1825 PWs) bands (ev): -25.7423 -25.7423 -15.0044 -15.0043 -9.3521 -9.3377 -9.1058 -9.0893 -9.0543 -9.0462 -0.9000 -0.8938 -0.6079 -0.5991 -0.3637 -0.3589 0.8587 0.8627 7.9009 7.9018 8.2188 8.2202 10.3956 10.3983 11.9268 11.9317 k = 0.1238-0.1297 0.0000 ( 1825 PWs) bands (ev): -25.7431 -25.7431 -15.0052 -15.0050 -9.3494 -9.3360 -9.1025 -9.0874 -9.0525 -9.0447 -0.8799 -0.8735 -0.5909 -0.5817 -0.3642 -0.3592 0.8312 0.8352 7.8754 7.8764 8.1628 8.1642 10.3646 10.3671 11.9343 11.9394 k = 0.1155-0.1210 0.0000 ( 1827 PWs) bands (ev): -25.7438 -25.7438 -15.0058 -15.0057 -9.3470 -9.3344 -9.0995 -9.0857 -9.0507 -9.0431 -0.8596 -0.8531 -0.5744 -0.5650 -0.3645 -0.3595 0.8038 0.8077 7.8508 7.8518 8.1096 8.1110 10.3352 10.3376 11.9396 11.9447 k = 0.1073-0.1124 0.0000 ( 1825 PWs) bands (ev): -25.7446 -25.7446 -15.0065 -15.0064 -9.3447 -9.3330 -9.0968 -9.0844 -9.0487 -9.0414 -0.8394 -0.8327 -0.5586 -0.5489 -0.3649 -0.3596 0.7767 0.7805 7.8272 7.8283 8.0594 8.0607 10.3076 10.3098 11.9430 11.9482 k = 0.0990-0.1037 0.0000 ( 1825 PWs) bands (ev): -25.7453 -25.7453 -15.0070 -15.0069 -9.3426 -9.3318 -9.0944 -9.0833 -9.0467 -9.0398 -0.8193 -0.8126 -0.5435 -0.5336 -0.3651 -0.3597 0.7501 0.7538 7.8049 7.8060 8.0121 8.0135 10.2817 10.2838 11.9452 11.9505 k = 0.0908-0.0951 0.0000 ( 1821 PWs) bands (ev): -25.7459 -25.7459 -15.0075 -15.0074 -9.3406 -9.3307 -9.0923 -9.0823 -9.0447 -9.0382 -0.7996 -0.7929 -0.5291 -0.5191 -0.3653 -0.3598 0.7242 0.7279 7.7841 7.7853 7.9680 7.9693 10.2576 10.2595 11.9464 11.9518 k = 0.0825-0.0864 0.0000 ( 1821 PWs) bands (ev): -25.7465 -25.7465 -15.0079 -15.0078 -9.3388 -9.3298 -9.0905 -9.0816 -9.0428 -9.0366 -0.7805 -0.7739 -0.5155 -0.5054 -0.3654 -0.3599 0.6993 0.7028 7.7648 7.7661 7.9270 7.9283 10.2354 10.2372 11.9470 11.9524 k = 0.0743-0.0778 0.0000 ( 1827 PWs) bands (ev): -25.7470 -25.7470 -15.0083 -15.0082 -9.3372 -9.3291 -9.0889 -9.0811 -9.0409 -9.0352 -0.7622 -0.7558 -0.5027 -0.4927 -0.3655 -0.3600 0.6755 0.6789 7.7473 7.7487 7.8893 7.8906 10.2152 10.2168 11.9473 11.9528 k = 0.0660-0.0692 0.0000 ( 1825 PWs) bands (ev): -25.7475 -25.7475 -15.0086 -15.0086 -9.3357 -9.3285 -9.0875 -9.0807 -9.0391 -9.0339 -0.7449 -0.7387 -0.4908 -0.4810 -0.3656 -0.3601 0.6533 0.6564 7.7318 7.7333 7.8549 7.8562 10.1969 10.1984 11.9476 11.9531 k = 0.0578-0.0605 0.0000 ( 1827 PWs) bands (ev): -25.7480 -25.7479 -15.0089 -15.0089 -9.3343 -9.3281 -9.0863 -9.0804 -9.0373 -9.0327 -0.7289 -0.7230 -0.4799 -0.4704 -0.3656 -0.3603 0.6328 0.6356 7.7183 7.7199 7.8238 7.8251 10.1807 10.1820 11.9480 11.9536 k = 0.0495-0.0519 0.0000 ( 1829 PWs) bands (ev): -25.7483 -25.7483 -15.0092 -15.0091 -9.3331 -9.3278 -9.0853 -9.0803 -9.0357 -9.0317 -0.7144 -0.7090 -0.4700 -0.4611 -0.3657 -0.3606 0.6142 0.6168 7.7071 7.7087 7.7961 7.7975 10.1666 10.1677 11.9487 11.9543 k = 0.0413-0.0432 0.0000 ( 1823 PWs) bands (ev): -25.7486 -25.7486 -15.0093 -15.0093 -9.3320 -9.3275 -9.0843 -9.0802 -9.0342 -9.0309 -0.7015 -0.6967 -0.4611 -0.4531 -0.3656 -0.3609 0.5981 0.6003 7.6982 7.6999 7.7718 7.7733 10.1546 10.1556 11.9499 11.9554 k = 0.0330-0.0346 0.0000 ( 1821 PWs) bands (ev): -25.7489 -25.7489 -15.0095 -15.0095 -9.3310 -9.3275 -9.0835 -9.0803 -9.0330 -9.0302 -0.6905 -0.6865 -0.4534 -0.4465 -0.3655 -0.3614 0.5844 0.5863 7.6916 7.6934 7.7511 7.7526 10.1448 10.1456 11.9516 11.9570 k = 0.0248-0.0259 0.0000 ( 1823 PWs) bands (ev): -25.7491 -25.7491 -15.0096 -15.0096 -9.3302 -9.3275 -9.0828 -9.0804 -9.0319 -9.0298 -0.6817 -0.6785 -0.4471 -0.4415 -0.3653 -0.3620 0.5736 0.5750 7.6876 7.6892 7.7338 7.7353 10.1372 10.1377 11.9539 11.9591 k = 0.0165-0.0173 0.0000 ( 1823 PWs) bands (ev): -25.7493 -25.7493 -15.0097 -15.0097 -9.3295 -9.3277 -9.0822 -9.0806 -9.0310 -9.0296 -0.6751 -0.6729 -0.4420 -0.4382 -0.3650 -0.3626 0.5657 0.5667 7.6858 7.6873 7.7205 7.7218 10.1317 10.1321 11.9568 11.9613 k = 0.0083-0.0086 0.0000 ( 1821 PWs) bands (ev): -25.7493 -25.7493 -15.0097 -15.0097 -9.3288 -9.3279 -9.0817 -9.0809 -9.0303 -9.0296 -0.6708 -0.6697 -0.4386 -0.4365 -0.3645 -0.3633 0.5611 0.5616 7.6860 7.6870 7.7116 7.7125 10.1285 10.1286 11.9599 11.9628 k = 0.0000 0.0000 0.0000 ( 1821 PWs) bands (ev): -25.7494 -25.7494 -15.0097 -15.0097 -9.3283 -9.3283 -9.0813 -9.0813 -9.0299 -9.0299 -0.6690 -0.6690 -0.4367 -0.4367 -0.3639 -0.3639 0.5597 0.5597 7.6868 7.6868 7.7086 7.7086 10.1274 10.1274 11.9624 11.9624 k = 0.0000 0.0000 0.0000 ( 1821 PWs) bands (ev): -25.7494 -25.7494 -15.0097 -15.0097 -9.3283 -9.3283 -9.0813 -9.0813 -9.0299 -9.0299 -0.6690 -0.6690 -0.4367 -0.4367 -0.3639 -0.3639 0.5597 0.5597 7.6868 7.6868 7.7086 7.7086 10.1274 10.1274 11.9624 11.9624 k = 0.0119-0.0006-0.0005 ( 1821 PWs) bands (ev): -25.7493 -25.7493 -15.0097 -15.0097 -9.3287 -9.3281 -9.0816 -9.0810 -9.0302 -9.0297 -0.6709 -0.6700 -0.4381 -0.4367 -0.3644 -0.3634 0.5613 0.5617 7.6870 7.6878 7.7111 7.7118 10.1276 10.1277 11.9603 11.9626 k = 0.0238-0.0011-0.0010 ( 1821 PWs) bands (ev): -25.7492 -25.7492 -15.0097 -15.0096 -9.3293 -9.3280 -9.0821 -9.0809 -9.0308 -9.0298 -0.6758 -0.6741 -0.4409 -0.4381 -0.3648 -0.3628 0.5665 0.5673 7.6889 7.6901 7.7189 7.7201 10.1283 10.1285 11.9560 11.9598 k = 0.0357-0.0017-0.0015 ( 1822 PWs) bands (ev): -25.7491 -25.7491 -15.0095 -15.0095 -9.3299 -9.3280 -9.0827 -9.0809 -9.0315 -9.0300 -0.6837 -0.6811 -0.4447 -0.4407 -0.3650 -0.3623 0.5752 0.5764 7.6929 7.6943 7.7317 7.7330 10.1294 10.1298 11.9488 11.9529 k = 0.0476-0.0022-0.0020 ( 1823 PWs) bands (ev): -25.7489 -25.7489 -15.0094 -15.0094 -9.3307 -9.3282 -9.0834 -9.0811 -9.0324 -9.0305 -0.6945 -0.6913 -0.4492 -0.4443 -0.3651 -0.3619 0.5872 0.5887 7.6990 7.7006 7.7490 7.7503 10.1310 10.1315 11.9381 11.9420 k = 0.0595-0.0028-0.0025 ( 1825 PWs) bands (ev): -25.7486 -25.7486 -15.0092 -15.0091 -9.3317 -9.3285 -9.0843 -9.0814 -9.0334 -9.0310 -0.7084 -0.7046 -0.4542 -0.4486 -0.3651 -0.3615 0.6021 0.6040 7.7075 7.7090 7.7707 7.7720 10.1331 10.1338 11.9240 11.9274 k = 0.0714-0.0033-0.0030 ( 1827 PWs) bands (ev): -25.7483 -25.7483 -15.0089 -15.0089 -9.3328 -9.3290 -9.0854 -9.0819 -9.0344 -9.0317 -0.7251 -0.7210 -0.4593 -0.4532 -0.3650 -0.3612 0.6198 0.6220 7.7181 7.7196 7.7967 7.7979 10.1357 10.1365 11.9064 11.9094 k = 0.0833-0.0039-0.0034 ( 1824 PWs) bands (ev): -25.7479 -25.7479 -15.0086 -15.0086 -9.3340 -9.3296 -9.0867 -9.0826 -9.0354 -9.0324 -0.7447 -0.7404 -0.4643 -0.4578 -0.3649 -0.3610 0.6398 0.6422 7.7310 7.7324 7.8268 7.8280 10.1388 10.1397 11.8855 11.8882 k = 0.0952-0.0044-0.0039 ( 1823 PWs) bands (ev): -25.7475 -25.7475 -15.0083 -15.0082 -9.3354 -9.3305 -9.0882 -9.0835 -9.0364 -9.0332 -0.7669 -0.7625 -0.4690 -0.4624 -0.3647 -0.3609 0.6619 0.6645 7.7459 7.7473 7.8610 7.8621 10.1424 10.1435 11.8614 11.8638 k = 0.1071-0.0050-0.0044 ( 1824 PWs) bands (ev): -25.7470 -25.7470 -15.0079 -15.0078 -9.3371 -9.3315 -9.0900 -9.0847 -9.0373 -9.0339 -0.7916 -0.7871 -0.4734 -0.4668 -0.3646 -0.3609 0.6857 0.6885 7.7629 7.7642 7.8989 7.9000 10.1466 10.1478 11.8343 11.8365 k = 0.1190-0.0055-0.0049 ( 1825 PWs) bands (ev): -25.7465 -25.7465 -15.0075 -15.0074 -9.3388 -9.3328 -9.0920 -9.0862 -9.0380 -9.0345 -0.8184 -0.8140 -0.4773 -0.4708 -0.3645 -0.3609 0.7109 0.7138 7.7819 7.7832 7.9406 7.9416 10.1513 10.1527 11.8041 11.8062 k = 0.1310-0.0061-0.0054 ( 1823 PWs) bands (ev): -25.7459 -25.7459 -15.0070 -15.0069 -9.3408 -9.3342 -9.0943 -9.0879 -9.0385 -9.0350 -0.8469 -0.8427 -0.4809 -0.4745 -0.3643 -0.3609 0.7372 0.7403 7.8030 7.8042 7.9857 7.9867 10.1567 10.1582 11.7710 11.7730 k = 0.1429-0.0066-0.0059 ( 1823 PWs) bands (ev): -25.7453 -25.7453 -15.0065 -15.0064 -9.3430 -9.3359 -9.0968 -9.0899 -9.0389 -9.0353 -0.8771 -0.8730 -0.4841 -0.4779 -0.3642 -0.3610 0.7644 0.7676 7.8260 7.8272 8.0340 8.0350 10.1626 10.1642 11.7352 11.7370 k = 0.1548-0.0072-0.0064 ( 1823 PWs) bands (ev): -25.7446 -25.7446 -15.0060 -15.0059 -9.3454 -9.3379 -9.0995 -9.0921 -9.0390 -9.0355 -0.9084 -0.9045 -0.4869 -0.4811 -0.3642 -0.3610 0.7923 0.7955 7.8510 7.8521 8.0852 8.0862 10.1692 10.1710 11.6966 11.6983 k = 0.1667-0.0077-0.0069 ( 1822 PWs) bands (ev): -25.7439 -25.7439 -15.0055 -15.0054 -9.3480 -9.3401 -9.1023 -9.0946 -9.0389 -9.0355 -0.9407 -0.9370 -0.4895 -0.4839 -0.3641 -0.3611 0.8207 0.8239 7.8778 7.8790 8.1390 8.1400 10.1765 10.1783 11.6554 11.6571 k = 0.1786-0.0083-0.0074 ( 1821 PWs) bands (ev): -25.7432 -25.7432 -15.0049 -15.0048 -9.3508 -9.3426 -9.1053 -9.0972 -9.0386 -9.0354 -0.9737 -0.9702 -0.4918 -0.4865 -0.3640 -0.3612 0.8493 0.8526 7.9066 7.9077 8.1951 8.1962 10.1844 10.1864 11.6117 11.6133 k = 0.1905-0.0089-0.0079 ( 1822 PWs) bands (ev): -25.7425 -25.7425 -15.0043 -15.0042 -9.3538 -9.3453 -9.1083 -9.0999 -9.0381 -9.0351 -1.0071 -1.0039 -0.4940 -0.4889 -0.3640 -0.3614 0.8780 0.8813 7.9372 7.9383 8.2532 8.2543 10.1931 10.1952 11.5657 11.5672 k = 0.2024-0.0094-0.0084 ( 1820 PWs) bands (ev): -25.7417 -25.7417 -15.0037 -15.0036 -9.3570 -9.3483 -9.1114 -9.1027 -9.0375 -9.0346 -1.0407 -1.0377 -0.4960 -0.4912 -0.3640 -0.3615 0.9066 0.9099 7.9696 7.9707 8.3130 8.3141 10.2025 10.2047 11.5174 11.5189 k = 0.2143-0.0100-0.0089 ( 1821 PWs) bands (ev): -25.7409 -25.7409 -15.0031 -15.0030 -9.3605 -9.3516 -9.1144 -9.1055 -9.0368 -9.0340 -1.0744 -1.0716 -0.4978 -0.4932 -0.3640 -0.3617 0.9351 0.9384 8.0038 8.0049 8.3739 8.3751 10.2127 10.2149 11.4670 11.4685 k = 0.2262-0.0105-0.0093 ( 1821 PWs) bands (ev): -25.7401 -25.7401 -15.0025 -15.0024 -9.3641 -9.3552 -9.1173 -9.1084 -9.0359 -9.0333 -1.1079 -1.1052 -0.4995 -0.4952 -0.3640 -0.3618 0.9632 0.9665 8.0397 8.0408 8.4357 8.4369 10.2235 10.2259 11.4148 11.4163 k = 0.2381-0.0111-0.0098 ( 1819 PWs) bands (ev): -25.7393 -25.7393 -15.0018 -15.0017 -9.3679 -9.3589 -9.1201 -9.1111 -9.0350 -9.0325 -1.1410 -1.1385 -0.5011 -0.4971 -0.3640 -0.3620 0.9909 0.9941 8.0772 8.0783 8.4980 8.4992 10.2350 10.2374 11.3610 11.3624 k = 0.2500-0.0116-0.0103 ( 1818 PWs) bands (ev): -25.7384 -25.7384 -15.0012 -15.0011 -9.3719 -9.3629 -9.1228 -9.1138 -9.0339 -9.0316 -1.1736 -1.1713 -0.5026 -0.4988 -0.3641 -0.3622 1.0181 1.0212 8.1164 8.1175 8.5603 8.5615 10.2470 10.2496 11.3058 11.3072 k = 0.2619-0.0122-0.0108 ( 1818 PWs) bands (ev): -25.7376 -25.7376 -15.0006 -15.0005 -9.3761 -9.3672 -9.1253 -9.1164 -9.0328 -9.0306 -1.2056 -1.2035 -0.5040 -0.5005 -0.3642 -0.3624 1.0446 1.0477 8.1572 8.1582 8.6221 8.6234 10.2595 10.2621 11.2497 11.2511 k = 0.2738-0.0127-0.0113 ( 1818 PWs) bands (ev): -25.7368 -25.7368 -14.9999 -14.9998 -9.3803 -9.3716 -9.1276 -9.1189 -9.0317 -9.0296 -1.2367 -1.2348 -0.5054 -0.5020 -0.3642 -0.3626 1.0704 1.0734 8.1994 8.2004 8.6832 8.6845 10.2721 10.2747 11.1931 11.1944 k = 0.2857-0.0133-0.0118 ( 1817 PWs) bands (ev): -25.7360 -25.7360 -14.9993 -14.9992 -9.3846 -9.3761 -9.1298 -9.1212 -9.0306 -9.0286 -1.2670 -1.2652 -0.5066 -0.5035 -0.3643 -0.3627 1.0953 1.0982 8.2430 8.2441 8.7430 8.7443 10.2846 10.2872 11.1364 11.1378 k = 0.2976-0.0138-0.0123 ( 1812 PWs) bands (ev): -25.7352 -25.7352 -14.9987 -14.9986 -9.3890 -9.3807 -9.1317 -9.1233 -9.0294 -9.0275 -1.2962 -1.2945 -0.5078 -0.5049 -0.3644 -0.3629 1.1194 1.1222 8.2879 8.2890 8.8012 8.8025 10.2964 10.2990 11.0805 11.0818 k = 0.3095-0.0144-0.0128 ( 1812 PWs) bands (ev): -25.7344 -25.7344 -14.9981 -14.9980 -9.3933 -9.3853 -9.1334 -9.1254 -9.0282 -9.0264 -1.3242 -1.3227 -0.5090 -0.5063 -0.3644 -0.3631 1.1425 1.1452 8.3341 8.3351 8.8573 8.8586 10.3068 10.3093 11.0262 11.0274 k = 0.3214-0.0149-0.0133 ( 1816 PWs) bands (ev): -25.7337 -25.7337 -14.9975 -14.9974 -9.3977 -9.3900 -9.1349 -9.1272 -9.0271 -9.0254 -1.3511 -1.3497 -0.5101 -0.5076 -0.3646 -0.3633 1.1645 1.1671 8.3812 8.3823 8.9110 8.9124 10.3149 10.3174 10.9745 10.9757 k = 0.3333-0.0155-0.0138 ( 1816 PWs) bands (ev): -25.7330 -25.7330 -14.9970 -14.9969 -9.4019 -9.3947 -9.1363 -9.1289 -9.0259 -9.0243 -1.3766 -1.3753 -0.5111 -0.5088 -0.3646 -0.3635 1.1854 1.1879 8.4293 8.4303 8.9621 8.9634 10.3196 10.3219 10.9268 10.9280 k = 0.3452-0.0160-0.0143 ( 1818 PWs) bands (ev): -25.7323 -25.7323 -14.9965 -14.9964 -9.4061 -9.3993 -9.1374 -9.1305 -9.0248 -9.0233 -1.4007 -1.3995 -0.5121 -0.5099 -0.3647 -0.3637 1.2052 1.2075 8.4782 8.4791 9.0101 9.0113 10.3194 10.3216 10.8847 10.8857 k = 0.3571-0.0166-0.0148 ( 1818 PWs) bands (ev): -25.7316 -25.7316 -14.9959 -14.9959 -9.4101 -9.4037 -9.1384 -9.1319 -9.0238 -9.0224 -1.4233 -1.4222 -0.5130 -0.5110 -0.3648 -0.3639 1.2237 1.2259 8.5275 8.5285 9.0548 9.0560 10.3129 10.3149 10.8495 10.8505 k = 0.3690-0.0171-0.0152 ( 1820 PWs) bands (ev): -25.7310 -25.7310 -14.9955 -14.9954 -9.4140 -9.4080 -9.1392 -9.1332 -9.0227 -9.0214 -1.4443 -1.4434 -0.5138 -0.5120 -0.3649 -0.3640 1.2409 1.2429 8.5771 8.5780 9.0961 9.0973 10.2991 10.3008 10.8226 10.8235 k = 0.3810-0.0177-0.0157 ( 1822 PWs) bands (ev): -25.7304 -25.7304 -14.9950 -14.9950 -9.4176 -9.4121 -9.1399 -9.1344 -9.0218 -9.0206 -1.4637 -1.4629 -0.5146 -0.5130 -0.3650 -0.3642 1.2568 1.2587 8.6266 8.6275 9.1337 9.1348 10.2776 10.2791 10.8043 10.8052 k = 0.3929-0.0183-0.0162 ( 1823 PWs) bands (ev): -25.7299 -25.7299 -14.9946 -14.9946 -9.4209 -9.4160 -9.1404 -9.1354 -9.0209 -9.0198 -1.4815 -1.4807 -0.5153 -0.5138 -0.3651 -0.3644 1.2714 1.2731 8.6756 8.6765 9.1675 9.1686 10.2492 10.2505 10.7940 10.7948 k = 0.4048-0.0188-0.0167 ( 1820 PWs) bands (ev): -25.7294 -25.7294 -14.9943 -14.9942 -9.4240 -9.4196 -9.1408 -9.1364 -9.0200 -9.0190 -1.4975 -1.4968 -0.5159 -0.5146 -0.3651 -0.3645 1.2845 1.2861 8.7237 8.7245 9.1975 9.1985 10.2156 10.2166 10.7903 10.7911 k = 0.4167-0.0194-0.0172 ( 1822 PWs) bands (ev): -25.7290 -25.7290 -14.9939 -14.9939 -9.4267 -9.4228 -9.1411 -9.1372 -9.0193 -9.0184 -1.5117 -1.5111 -0.5164 -0.5153 -0.3652 -0.3646 1.2962 1.2976 8.7701 8.7709 9.2236 9.2245 10.1788 10.1796 10.7914 10.7922 k = 0.4286-0.0199-0.0177 ( 1826 PWs) bands (ev): -25.7286 -25.7286 -14.9936 -14.9936 -9.4291 -9.4258 -9.1414 -9.1380 -9.0186 -9.0178 -1.5241 -1.5236 -0.5169 -0.5159 -0.3653 -0.3648 1.3064 1.3076 8.8142 8.8150 9.2457 9.2465 10.1410 10.1417 10.7957 10.7964 k = 0.4405-0.0205-0.0182 ( 1826 PWs) bands (ev): -25.7283 -25.7283 -14.9934 -14.9934 -9.4312 -9.4284 -9.1415 -9.1386 -9.0180 -9.0174 -1.5346 -1.5342 -0.5173 -0.5165 -0.3653 -0.3649 1.3151 1.3161 8.8550 8.8557 9.2638 9.2645 10.1044 10.1050 10.8015 10.8022 k = 0.4524-0.0210-0.0187 ( 1826 PWs) bands (ev): -25.7280 -25.7280 -14.9932 -14.9932 -9.4328 -9.4305 -9.1415 -9.1392 -9.0175 -9.0170 -1.5433 -1.5430 -0.5176 -0.5169 -0.3653 -0.3650 1.3223 1.3231 8.8913 8.8919 9.2782 9.2788 10.0710 10.0715 10.8078 10.8084 k = 0.4643-0.0216-0.0192 ( 1826 PWs) bands (ev): -25.7278 -25.7278 -14.9930 -14.9930 -9.4340 -9.4323 -9.1414 -9.1397 -9.0171 -9.0167 -1.5500 -1.5498 -0.5178 -0.5173 -0.3653 -0.3651 1.3279 1.3285 8.9219 8.9223 9.2888 9.2893 10.0427 10.0431 10.8136 10.8141 k = 0.4762-0.0221-0.0197 ( 1825 PWs) bands (ev): -25.7276 -25.7276 -14.9929 -14.9929 -9.4348 -9.4337 -9.1413 -9.1402 -9.0168 -9.0165 -1.5549 -1.5547 -0.5179 -0.5176 -0.3653 -0.3652 1.3319 1.3323 8.9451 8.9455 9.2961 9.2965 10.0210 10.0213 10.8183 10.8185 k = 0.4881-0.0227-0.0202 ( 1821 PWs) bands (ev): -25.7275 -25.7275 -14.9928 -14.9928 -9.4351 -9.4346 -9.1411 -9.1406 -9.0166 -9.0164 -1.5577 -1.5576 -0.5179 -0.5178 -0.3653 -0.3652 1.3344 1.3346 8.9598 8.9600 9.3004 9.3005 10.0075 10.0076 10.8212 10.8214 k = 0.5000-0.0232-0.0207 ( 1820 PWs) bands (ev): -25.7275 -25.7275 -14.9928 -14.9928 -9.4351 -9.4351 -9.1409 -9.1409 -9.0164 -9.0164 -1.5586 -1.5586 -0.5179 -0.5179 -0.3653 -0.3653 1.3353 1.3353 8.9649 8.9649 9.3018 9.3018 10.0029 10.0029 10.8223 10.8223 k = 0.5000-0.0232 0.4876 ( 1800 PWs) bands (ev): -25.7043 -25.7043 -14.9276 -14.9276 -9.5344 -9.5344 -9.3269 -9.3269 -9.0366 -9.0366 -1.2732 -1.2732 -1.0680 -1.0680 -0.3612 -0.3612 1.5539 1.5539 7.7471 7.7471 10.0834 10.0834 10.6606 10.6606 11.0732 11.0732 k = 0.4914-0.0228 0.4792 ( 1798 PWs) bands (ev): -25.7043 -25.7043 -14.9277 -14.9277 -9.5346 -9.5338 -9.3272 -9.3262 -9.0367 -9.0365 -1.2734 -1.2733 -1.0676 -1.0675 -0.3614 -0.3613 1.5539 1.5540 7.7488 7.7488 10.0828 10.0829 10.6604 10.6606 11.0733 11.0734 k = 0.4828-0.0224 0.4708 ( 1802 PWs) bands (ev): -25.7044 -25.7044 -14.9279 -14.9279 -9.5345 -9.5327 -9.3270 -9.3251 -9.0368 -9.0365 -1.2738 -1.2737 -1.0664 -1.0663 -0.3619 -0.3618 1.5539 1.5542 7.7540 7.7540 10.0811 10.0814 10.6600 10.6605 11.0738 11.0741 k = 0.4741-0.0220 0.4624 ( 1803 PWs) bands (ev): -25.7046 -25.7046 -14.9284 -14.9283 -9.5339 -9.5313 -9.3263 -9.3235 -9.0370 -9.0366 -1.2745 -1.2743 -1.0645 -1.0643 -0.3627 -0.3627 1.5541 1.5545 7.7625 7.7625 10.0783 10.0788 10.6593 10.6599 11.0749 11.0754 k = 0.4655-0.0216 0.4540 ( 1803 PWs) bands (ev): -25.7048 -25.7048 -14.9290 -14.9289 -9.5329 -9.5294 -9.3252 -9.3215 -9.0373 -9.0367 -1.2753 -1.2751 -1.0617 -1.0615 -0.3639 -0.3638 1.5543 1.5548 7.7744 7.7744 10.0743 10.0750 10.6578 10.6586 11.0770 11.0777 k = 0.4569-0.0212 0.4456 ( 1800 PWs) bands (ev): -25.7051 -25.7051 -14.9297 -14.9297 -9.5315 -9.5272 -9.3237 -9.3190 -9.0375 -9.0368 -1.2764 -1.2761 -1.0582 -1.0579 -0.3654 -0.3653 1.5545 1.5552 7.7896 7.7896 10.0689 10.0698 10.6551 10.6561 11.0806 11.0813 k = 0.4483-0.0208 0.4372 ( 1799 PWs) bands (ev): -25.7054 -25.7054 -14.9306 -14.9306 -9.5297 -9.5246 -9.3217 -9.3161 -9.0379 -9.0370 -1.2776 -1.2773 -1.0539 -1.0536 -0.3672 -0.3670 1.5547 1.5555 7.8080 7.8081 10.0620 10.0631 10.6505 10.6517 11.0861 11.0869 k = 0.4397-0.0204 0.4288 ( 1805 PWs) bands (ev): -25.7058 -25.7058 -14.9317 -14.9316 -9.5275 -9.5216 -9.3193 -9.3129 -9.0383 -9.0372 -1.2790 -1.2786 -1.0488 -1.0484 -0.3693 -0.3691 1.5547 1.5557 7.8296 7.8297 10.0534 10.0546 10.6436 10.6450 11.0941 11.0949 k = 0.4310-0.0200 0.4204 ( 1804 PWs) bands (ev): -25.7063 -25.7063 -14.9329 -14.9329 -9.5250 -9.5183 -9.3165 -9.3092 -9.0387 -9.0375 -1.2804 -1.2800 -1.0428 -1.0424 -0.3717 -0.3715 1.5547 1.5557 7.8543 7.8543 10.0428 10.0442 10.6338 10.6353 11.1050 11.1059 k = 0.4224-0.0196 0.4120 ( 1806 PWs) bands (ev): -25.7068 -25.7068 -14.9343 -14.9342 -9.5221 -9.5147 -9.3132 -9.3052 -9.0392 -9.0378 -1.2818 -1.2814 -1.0362 -1.0357 -0.3743 -0.3740 1.5543 1.5555 7.8818 7.8819 10.0300 10.0316 10.6205 10.6221 11.1193 11.1201 k = 0.4138-0.0192 0.4036 ( 1805 PWs) bands (ev): -25.7074 -25.7074 -14.9358 -14.9357 -9.5188 -9.5107 -9.3096 -9.3008 -9.0397 -9.0382 -1.2832 -1.2828 -1.0287 -1.0282 -0.3772 -0.3769 1.5537 1.5550 7.9122 7.9123 10.0148 10.0165 10.6033 10.6051 11.1371 11.1379 k = 0.4052-0.0188 0.3951 ( 1806 PWs) bands (ev): -25.7081 -25.7081 -14.9374 -14.9373 -9.5152 -9.5065 -9.3055 -9.2960 -9.0402 -9.0386 -1.2846 -1.2840 -1.0205 -1.0200 -0.3802 -0.3799 1.5527 1.5541 7.9452 7.9453 9.9969 9.9987 10.5822 10.5841 11.1583 11.1591 k = 0.3966-0.0184 0.3867 ( 1806 PWs) bands (ev): -25.7088 -25.7088 -14.9391 -14.9390 -9.5113 -9.5020 -9.3011 -9.2910 -9.0408 -9.0390 -1.2857 -1.2851 -1.0115 -1.0110 -0.3835 -0.3831 1.5512 1.5527 7.9806 7.9807 9.9761 9.9780 10.5569 10.5590 11.1828 11.1837 k = 0.3879-0.0180 0.3783 ( 1807 PWs) bands (ev): -25.7095 -25.7095 -14.9410 -14.9409 -9.5071 -9.4972 -9.2963 -9.2856 -9.0414 -9.0394 -1.2866 -1.2860 -1.0017 -1.0012 -0.3869 -0.3865 1.5492 1.5508 8.0183 8.0184 9.9522 9.9542 10.5276 10.5298 11.2101 11.2112 k = 0.3793-0.0176 0.3699 ( 1807 PWs) bands (ev): -25.7103 -25.7103 -14.9429 -14.9428 -9.5026 -9.4923 -9.2912 -9.2799 -9.0420 -9.0399 -1.2872 -1.2866 -0.9913 -0.9907 -0.3904 -0.3900 1.5464 1.5481 8.0578 8.0580 9.9249 9.9269 10.4946 10.4969 11.2396 11.2410 k = 0.3707-0.0172 0.3615 ( 1807 PWs) bands (ev): -25.7112 -25.7112 -14.9450 -14.9448 -9.4979 -9.4871 -9.2858 -9.2740 -9.0427 -9.0404 -1.2874 -1.2868 -0.9801 -0.9795 -0.3941 -0.3936 1.5429 1.5447 8.0991 8.0992 9.8941 9.8962 10.4580 10.4604 11.2705 11.2723 k = 0.3621-0.0168 0.3531 ( 1806 PWs) bands (ev): -25.7121 -25.7121 -14.9471 -14.9469 -9.4929 -9.4818 -9.2801 -9.2678 -9.0434 -9.0409 -1.2872 -1.2865 -0.9682 -0.9676 -0.3978 -0.3972 1.5386 1.5404 8.1416 8.1418 9.8597 9.8617 10.4183 10.4207 11.3019 11.3041 k = 0.3534-0.0164 0.3447 ( 1806 PWs) bands (ev): -25.7130 -25.7130 -14.9492 -14.9491 -9.4877 -9.4763 -9.2740 -9.2614 -9.0441 -9.0414 -1.2864 -1.2857 -0.9556 -0.9550 -0.4016 -0.4009 1.5333 1.5352 8.1851 8.1853 9.8215 9.8235 10.3760 10.3784 11.3324 11.3351 k = 0.3448-0.0160 0.3363 ( 1810 PWs) bands (ev): -25.7140 -25.7140 -14.9515 -14.9514 -9.4824 -9.4706 -9.2678 -9.2549 -9.0448 -9.0419 -1.2850 -1.2843 -0.9424 -0.9418 -0.4054 -0.4047 1.5269 1.5289 8.2290 8.2292 9.7795 9.7814 10.3317 10.3340 11.3604 11.3638 k = 0.3362-0.0156 0.3279 ( 1810 PWs) bands (ev): -25.7150 -25.7150 -14.9538 -14.9536 -9.4769 -9.4649 -9.2613 -9.2481 -9.0455 -9.0424 -1.2830 -1.2823 -0.9286 -0.9280 -0.4091 -0.4084 1.5194 1.5215 8.2728 8.2731 9.7338 9.7356 10.2860 10.2883 11.3843 11.3884 k = 0.3276-0.0152 0.3195 ( 1813 PWs) bands (ev): -25.7160 -25.7160 -14.9561 -14.9560 -9.4712 -9.4591 -9.2547 -9.2413 -9.0462 -9.0430 -1.2801 -1.2794 -0.9142 -0.9135 -0.4129 -0.4121 1.5107 1.5128 8.3158 8.3163 9.6843 9.6859 10.2399 10.2420 11.4022 11.4069 k = 0.3190-0.0148 0.3111 ( 1816 PWs) bands (ev): -25.7171 -25.7171 -14.9584 -14.9583 -9.4654 -9.4532 -9.2479 -9.2343 -9.0469 -9.0435 -1.2765 -1.2758 -0.8992 -0.8985 -0.4166 -0.4157 1.5008 1.5029 8.3575 8.3580 9.6312 9.6327 10.1941 10.1962 11.4123 11.4175 k = 0.3103-0.0144 0.3027 ( 1817 PWs) bands (ev): -25.7183 -25.7183 -14.9608 -14.9607 -9.4596 -9.4473 -9.2409 -9.2272 -9.0476 -9.0439 -1.2720 -1.2713 -0.8837 -0.8830 -0.4202 -0.4192 1.4895 1.4917 8.3969 8.3975 9.5747 9.5759 10.1498 10.1516 11.4138 11.4194 k = 0.3017-0.0140 0.2943 ( 1817 PWs) bands (ev): -25.7194 -25.7194 -14.9632 -14.9630 -9.4537 -9.4414 -9.2338 -9.2201 -9.0483 -9.0444 -1.2666 -1.2658 -0.8677 -0.8670 -0.4237 -0.4227 1.4768 1.4790 8.4332 8.4339 9.5150 9.5160 10.1079 10.1096 11.4070 11.4128 k = 0.2931-0.0136 0.2858 ( 1815 PWs) bands (ev): -25.7205 -25.7205 -14.9655 -14.9654 -9.4477 -9.4354 -9.2266 -9.2129 -9.0489 -9.0448 -1.2601 -1.2594 -0.8512 -0.8505 -0.4271 -0.4260 1.4627 1.4649 8.4654 8.4662 9.4523 9.4531 10.0696 10.0711 11.3934 11.3991 k = 0.2845-0.0132 0.2774 ( 1819 PWs) bands (ev): -25.7217 -25.7217 -14.9679 -14.9678 -9.4417 -9.4295 -9.2194 -9.2058 -9.0496 -9.0452 -1.2526 -1.2519 -0.8343 -0.8336 -0.4304 -0.4291 1.4471 1.4494 8.4924 8.4934 9.3870 9.3875 10.0359 10.0374 11.3752 11.3805 k = 0.2759-0.0128 0.2690 ( 1818 PWs) bands (ev): -25.7229 -25.7229 -14.9702 -14.9701 -9.4357 -9.4236 -9.2121 -9.1987 -9.0501 -9.0455 -1.2441 -1.2433 -0.8170 -0.8163 -0.4335 -0.4321 1.4299 1.4323 8.5133 8.5144 9.3193 9.3197 10.0080 10.0094 11.3545 11.3595 k = 0.2672-0.0124 0.2606 ( 1819 PWs) bands (ev): -25.7241 -25.7241 -14.9725 -14.9724 -9.4298 -9.4178 -9.2049 -9.1916 -9.0507 -9.0458 -1.2344 -1.2336 -0.7994 -0.7986 -0.4364 -0.4349 1.4113 1.4136 8.5272 8.5285 9.2496 9.2500 9.9866 9.9879 11.3334 11.3381 k = 0.2586-0.0120 0.2522 ( 1820 PWs) bands (ev): -25.7253 -25.7253 -14.9748 -14.9747 -9.4239 -9.4121 -9.1977 -9.1845 -9.0512 -9.0460 -1.2236 -1.2228 -0.7815 -0.7806 -0.4391 -0.4376 1.3911 1.3934 8.5335 8.5349 9.1783 9.1788 9.9722 9.9736 11.3135 11.3177 k = 0.2500-0.0116 0.2438 ( 1820 PWs) bands (ev): -25.7266 -25.7266 -14.9771 -14.9769 -9.4180 -9.4065 -9.1905 -9.1776 -9.0516 -9.0462 -1.2117 -1.2108 -0.7633 -0.7624 -0.4416 -0.4400 1.3693 1.3717 8.5317 8.5333 9.1058 9.1065 9.9652 9.9665 11.2958 11.2997 k = 0.2414-0.0112 0.2354 ( 1819 PWs) bands (ev): -25.7278 -25.7278 -14.9792 -14.9791 -9.4123 -9.4010 -9.1835 -9.1708 -9.0519 -9.0463 -1.1985 -1.1976 -0.7449 -0.7440 -0.4438 -0.4421 1.3460 1.3484 8.5221 8.5238 9.0325 9.0333 9.9651 9.9666 11.2813 11.2848 k = 0.2328-0.0108 0.2270 ( 1820 PWs) bands (ev): -25.7290 -25.7290 -14.9814 -14.9812 -9.4067 -9.3956 -9.1765 -9.1641 -9.0522 -9.0463 -1.1842 -1.1832 -0.7264 -0.7254 -0.4459 -0.4441 1.3213 1.3236 8.5049 8.5068 8.9587 8.9597 9.9715 9.9729 11.2706 11.2738 k = 0.2241-0.0104 0.2186 ( 1820 PWs) bands (ev): -25.7302 -25.7302 -14.9834 -14.9833 -9.4012 -9.3904 -9.1697 -9.1576 -9.0523 -9.0463 -1.1687 -1.1676 -0.7077 -0.7068 -0.4477 -0.4458 1.2950 1.2974 8.4809 8.4829 8.8849 8.8860 9.9831 9.9846 11.2642 11.2672 k = 0.2155-0.0100 0.2102 ( 1824 PWs) bands (ev): -25.7314 -25.7314 -14.9855 -14.9853 -9.3958 -9.3853 -9.1630 -9.1513 -9.0524 -9.0461 -1.1521 -1.1509 -0.6891 -0.6881 -0.4493 -0.4473 1.2673 1.2697 8.4510 8.4530 8.8113 8.8125 9.9988 10.0003 11.2627 11.2654 k = 0.2069-0.0096 0.2018 ( 1825 PWs) bands (ev): -25.7326 -25.7326 -14.9874 -14.9873 -9.3907 -9.3805 -9.1565 -9.1453 -9.0524 -9.0459 -1.1342 -1.1330 -0.6705 -0.6694 -0.4506 -0.4485 1.2383 1.2407 8.4162 8.4183 8.7383 8.7396 10.0172 10.0187 11.2662 11.2687 k = 0.1983-0.0092 0.1934 ( 1824 PWs) bands (ev): -25.7338 -25.7338 -14.9892 -14.9891 -9.3857 -9.3758 -9.1503 -9.1394 -9.0522 -9.0456 -1.1153 -1.1140 -0.6519 -0.6508 -0.4517 -0.4494 1.2080 1.2104 8.3775 8.3796 8.6661 8.6675 10.0371 10.0386 11.2751 11.2773 k = 0.1897-0.0088 0.1850 ( 1826 PWs) bands (ev): -25.7350 -25.7350 -14.9910 -14.9909 -9.3809 -9.3713 -9.1442 -9.1338 -9.0520 -9.0452 -1.0953 -1.0939 -0.6336 -0.6323 -0.4525 -0.4501 1.1765 1.1789 8.3358 8.3380 8.5951 8.5965 10.0571 10.0586 11.2894 11.2914 k = 0.1810-0.0084 0.1766 ( 1826 PWs) bands (ev): -25.7361 -25.7361 -14.9927 -14.9926 -9.3762 -9.3670 -9.1384 -9.1284 -9.0516 -9.0447 -1.0743 -1.0728 -0.6155 -0.6140 -0.4530 -0.4504 1.1440 1.1463 8.2922 8.2943 8.5256 8.5270 10.0763 10.0778 11.3091 11.3109 k = 0.1724-0.0080 0.1681 ( 1825 PWs) bands (ev): -25.7372 -25.7372 -14.9944 -14.9942 -9.3718 -9.3629 -9.1329 -9.1233 -9.0510 -9.0441 -1.0523 -1.0506 -0.5977 -0.5961 -0.4533 -0.4505 1.1104 1.1127 8.2472 8.2494 8.4577 8.4591 10.0940 10.0955 11.3340 11.3356 k = 0.1638-0.0076 0.1597 ( 1824 PWs) bands (ev): -25.7383 -25.7383 -14.9959 -14.9958 -9.3676 -9.3591 -9.1276 -9.1185 -9.0504 -9.0435 -1.0294 -1.0277 -0.5803 -0.5784 -0.4532 -0.4502 1.0760 1.0783 8.2017 8.2039 8.3916 8.3931 10.1094 10.1109 11.3638 11.3651 k = 0.1552-0.0072 0.1513 ( 1825 PWs) bands (ev): -25.7393 -25.7393 -14.9974 -14.9973 -9.3637 -9.3555 -9.1226 -9.1140 -9.0496 -9.0427 -1.0058 -1.0039 -0.5634 -0.5613 -0.4528 -0.4496 1.0408 1.0431 8.1561 8.1583 8.3277 8.3292 10.1225 10.1239 11.3978 11.3990 k = 0.1466-0.0068 0.1429 ( 1823 PWs) bands (ev): -25.7403 -25.7403 -14.9987 -14.9986 -9.3599 -9.3521 -9.1179 -9.1098 -9.0486 -9.0419 -0.9815 -0.9795 -0.5472 -0.5447 -0.4519 -0.4485 1.0051 1.0073 8.1111 8.1133 8.2660 8.2676 10.1329 10.1344 11.4356 11.4365 k = 0.1379-0.0064 0.1345 ( 1826 PWs) bands (ev): -25.7413 -25.7413 -15.0000 -14.9999 -9.3564 -9.3489 -9.1136 -9.1060 -9.0476 -9.0410 -0.9566 -0.9545 -0.5318 -0.5288 -0.4507 -0.4469 0.9690 0.9712 8.0670 8.0692 8.2069 8.2084 10.1408 10.1422 11.4763 11.4771 k = 0.1293-0.0060 0.1261 ( 1825 PWs) bands (ev): -25.7422 -25.7422 -15.0013 -15.0012 -9.3531 -9.3460 -9.1095 -9.1024 -9.0464 -9.0400 -0.9314 -0.9291 -0.5174 -0.5137 -0.4489 -0.4446 0.9327 0.9348 8.0243 8.0265 8.1503 8.1519 10.1464 10.1478 11.5191 11.5198 k = 0.1207-0.0056 0.1177 ( 1824 PWs) bands (ev): -25.7431 -25.7431 -15.0024 -15.0023 -9.3500 -9.3433 -9.1057 -9.0992 -9.0451 -9.0390 -0.9060 -0.9036 -0.5043 -0.4997 -0.4464 -0.4415 0.8963 0.8985 7.9832 7.9854 8.0966 8.0983 10.1499 10.1512 11.5632 11.5639 k = 0.1121-0.0052 0.1093 ( 1825 PWs) bands (ev): -25.7439 -25.7439 -15.0034 -15.0033 -9.3472 -9.3409 -9.1023 -9.0963 -9.0438 -9.0380 -0.8805 -0.8780 -0.4927 -0.4871 -0.4428 -0.4373 0.8602 0.8623 7.9441 7.9462 8.0459 8.0476 10.1515 10.1528 11.6079 11.6086 k = 0.1034-0.0048 0.1009 ( 1825 PWs) bands (ev): -25.7447 -25.7447 -15.0044 -15.0043 -9.3446 -9.3387 -9.0991 -9.0936 -9.0424 -9.0370 -0.8553 -0.8526 -0.4828 -0.4764 -0.4379 -0.4319 0.8246 0.8266 7.9071 7.9092 7.9983 8.0000 10.1517 10.1529 11.6522 11.6531 k = 0.0948-0.0044 0.0925 ( 1825 PWs) bands (ev): -25.7454 -25.7454 -15.0053 -15.0052 -9.3421 -9.3367 -9.0963 -9.0913 -9.0409 -9.0359 -0.8305 -0.8277 -0.4748 -0.4678 -0.4314 -0.4251 0.7897 0.7917 7.8725 7.8746 7.9539 7.9556 10.1507 10.1519 11.6956 11.6966 k = 0.0862-0.0040 0.0841 ( 1826 PWs) bands (ev): -25.7461 -25.7461 -15.0061 -15.0060 -9.3399 -9.3349 -9.0937 -9.0892 -9.0395 -9.0349 -0.8064 -0.8036 -0.4683 -0.4613 -0.4235 -0.4174 0.7559 0.7577 7.8405 7.8426 7.9128 7.9145 10.1488 10.1499 11.7372 11.7384 k = 0.0776-0.0036 0.0757 ( 1825 PWs) bands (ev): -25.7467 -25.7467 -15.0068 -15.0067 -9.3379 -9.3334 -9.0914 -9.0874 -9.0380 -9.0339 -0.7833 -0.7805 -0.4630 -0.4563 -0.4148 -0.4092 0.7235 0.7252 7.8113 7.8133 7.8752 7.8770 10.1463 10.1473 11.7766 11.7780 k = 0.0690-0.0032 0.0673 ( 1820 PWs) bands (ev): -25.7472 -25.7472 -15.0074 -15.0073 -9.3361 -9.3320 -9.0894 -9.0859 -9.0366 -9.0330 -0.7616 -0.7587 -0.4585 -0.4522 -0.4059 -0.4009 0.6928 0.6945 7.7849 7.7869 7.8412 7.8429 10.1434 10.1443 11.8132 11.8148 k = 0.0603-0.0028 0.0589 ( 1820 PWs) bands (ev): -25.7477 -25.7477 -15.0080 -15.0079 -9.3345 -9.3309 -9.0876 -9.0846 -9.0353 -9.0321 -0.7415 -0.7387 -0.4545 -0.4486 -0.3974 -0.3929 0.6643 0.6658 7.7615 7.7635 7.8108 7.8126 10.1404 10.1412 11.8464 11.8483 k = 0.0517-0.0024 0.0504 ( 1821 PWs) bands (ev): -25.7482 -25.7482 -15.0084 -15.0084 -9.3331 -9.3300 -9.0861 -9.0835 -9.0341 -9.0314 -0.7234 -0.7208 -0.4508 -0.4455 -0.3895 -0.3856 0.6383 0.6397 7.7412 7.7432 7.7841 7.7859 10.1374 10.1381 11.8759 11.8781 k = 0.0431-0.0020 0.0420 ( 1823 PWs) bands (ev): -25.7485 -25.7485 -15.0089 -15.0088 -9.3319 -9.3292 -9.0848 -9.0826 -9.0330 -9.0308 -0.7076 -0.7051 -0.4474 -0.4428 -0.3824 -0.3791 0.6154 0.6166 7.7241 7.7260 7.7613 7.7630 10.1345 10.1351 11.9013 11.9038 k = 0.0345-0.0016 0.0336 ( 1823 PWs) bands (ev): -25.7488 -25.7488 -15.0092 -15.0092 -9.3308 -9.3287 -9.0837 -9.0820 -9.0321 -9.0303 -0.6942 -0.6921 -0.4442 -0.4404 -0.3762 -0.3736 0.5959 0.5969 7.7102 7.7119 7.7424 7.7440 10.1321 10.1326 11.9225 11.9253 k = 0.0259-0.0012 0.0252 ( 1823 PWs) bands (ev): -25.7491 -25.7491 -15.0094 -15.0094 -9.3299 -9.3283 -9.0828 -9.0815 -9.0313 -9.0299 -0.6835 -0.6819 -0.4415 -0.4385 -0.3712 -0.3692 0.5803 0.5810 7.6996 7.7011 7.7276 7.7290 10.1301 10.1304 11.9393 11.9421 k = 0.0172-0.0008 0.0168 ( 1823 PWs) bands (ev): -25.7492 -25.7492 -15.0096 -15.0096 -9.3292 -9.3282 -9.0821 -9.0812 -9.0307 -9.0297 -0.6757 -0.6745 -0.4392 -0.4372 -0.3674 -0.3661 0.5688 0.5694 7.6922 7.6933 7.7169 7.7179 10.1286 10.1288 11.9515 11.9540 k = 0.0086-0.0004 0.0084 ( 1822 PWs) bands (ev): -25.7493 -25.7493 -15.0097 -15.0097 -9.3287 -9.3282 -9.0816 -9.0811 -9.0302 -9.0297 -0.6709 -0.6703 -0.4376 -0.4366 -0.3650 -0.3643 0.5619 0.5622 7.6880 7.6886 7.7106 7.7111 10.1277 10.1278 11.9592 11.9608 k = 0.0000 0.0000 0.0000 ( 1821 PWs) bands (ev): -25.7494 -25.7494 -15.0097 -15.0097 -9.3283 -9.3283 -9.0813 -9.0813 -9.0299 -9.0299 -0.6690 -0.6690 -0.4367 -0.4367 -0.3639 -0.3639 0.5597 0.5597 7.6868 7.6868 7.7086 7.7086 10.1274 10.1274 11.9624 11.9624 Writing output data file KCN.save init_run : 3.50s CPU 11.74s WALL ( 1 calls) electrons : 167.42s CPU 170.49s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.19s CPU 1.36s WALL ( 1 calls) Called by electrons: c_bands : 167.40s CPU 170.25s WALL ( 1 calls) v_of_rho : 0.07s CPU 0.80s WALL ( 1 calls) v_h : 0.05s CPU 0.05s WALL ( 1 calls) v_xc : 0.02s CPU 0.41s WALL ( 1 calls) newd : 0.11s CPU 0.39s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.04s WALL ( 388 calls) cegterg : 142.49s CPU 143.50s WALL ( 847 calls) Called by sum_band: Called by *egterg: h_psi : 63.59s CPU 69.01s WALL ( 13316 calls) s_psi : 5.24s CPU 5.49s WALL ( 13316 calls) g_psi : 0.14s CPU 0.19s WALL ( 12081 calls) cdiaghg : 49.02s CPU 50.46s WALL ( 12469 calls) cegterg:over : 11.45s CPU 9.96s WALL ( 12081 calls) cegterg:upda : 1.88s CPU 2.00s WALL ( 12081 calls) cegterg:last : 1.30s CPU 1.33s WALL ( 2011 calls) Called by h_psi: h_psi:vloc : 52.39s CPU 57.50s WALL ( 13316 calls) h_psi:vnl : 11.15s CPU 11.34s WALL ( 13316 calls) add_vuspsi : 2.35s CPU 3.92s WALL ( 13316 calls) General routines calbec : 8.78s CPU 7.33s WALL ( 13316 calls) fft : 0.59s CPU 1.59s WALL ( 19 calls) ffts : 0.00s CPU 0.03s WALL ( 4 calls) fftw : 50.03s CPU 54.38s WALL ( 666144 calls) interpolate : 0.03s CPU 0.06s WALL ( 4 calls) davcio : 0.06s CPU 1.09s WALL ( 776 calls) Parallel routines fft_scatter : 40.60s CPU 43.95s WALL ( 666167 calls) PWSCF : 3m19.65s CPU 4m43.02s WALL This run was terminated on: 14:42:57 7Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=