Program PWSCF v.5.1.1 starts on 9Oct2015 at 16:20:36 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: ./NaNO2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 35 29 8 766 572 90 Max 36 30 9 768 583 93 Sum 1693 1393 407 36805 27633 4369 bravais-lattice index = 14 lattice parameter (alat) = 8.1341 a.u. unit-cell volume = 373.3911 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 26.00 number of Kohn-Sham states= 34 kinetic-energy cutoff = 67.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.134123 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.642047 celldm(5)= -0.220344 celldm(6)= -0.137609 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.137609 0.990487 0.000000 ) a(3) = ( -0.220344 -0.678826 0.700459 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.138931 0.449211 ) b(2) = ( 0.000000 1.009605 0.978424 ) b(3) = ( 0.000000 0.000000 1.427634 ) PseudoPot. # 1 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Na read from file: /home/autes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 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 1121 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 O 6.00 15.99940 O( 1.00) Na 9.00 22.98980 Na( 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= 452 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022124 k( 2) = ( -0.0057059 0.0049680 0.0111656), wk = 0.0022124 k( 3) = ( -0.0114119 0.0099360 0.0223313), wk = 0.0022124 k( 4) = ( -0.0171178 0.0149040 0.0334969), wk = 0.0022124 k( 5) = ( -0.0228237 0.0198720 0.0446625), wk = 0.0022124 k( 6) = ( -0.0285297 0.0248400 0.0558282), wk = 0.0022124 k( 7) = ( -0.0342356 0.0298080 0.0669938), wk = 0.0022124 k( 8) = ( -0.0399415 0.0347760 0.0781594), wk = 0.0022124 k( 9) = ( -0.0456474 0.0397440 0.0893251), wk = 0.0022124 k( 10) = ( -0.0513534 0.0447120 0.1004907), wk = 0.0022124 k( 11) = ( -0.0570593 0.0496800 0.1116563), wk = 0.0022124 k( 12) = ( -0.0627652 0.0546480 0.1228220), wk = 0.0022124 k( 13) = ( -0.0684712 0.0596161 0.1339876), wk = 0.0022124 k( 14) = ( -0.0741771 0.0645840 0.1451532), wk = 0.0022124 k( 15) = ( -0.0798830 0.0695521 0.1563189), wk = 0.0022124 k( 16) = ( -0.0855889 0.0745201 0.1674845), wk = 0.0022124 k( 17) = ( -0.0912949 0.0794881 0.1786501), wk = 0.0022124 k( 18) = ( -0.0970008 0.0844561 0.1898158), wk = 0.0022124 k( 19) = ( -0.1027067 0.0894241 0.2009814), wk = 0.0022124 k( 20) = ( -0.1084127 0.0943921 0.2121470), wk = 0.0022124 k( 21) = ( -0.1141186 0.0993601 0.2233127), wk = 0.0022124 k( 22) = ( -0.1198245 0.1043281 0.2344783), wk = 0.0022124 k( 23) = ( -0.1255304 0.1092961 0.2456439), wk = 0.0022124 k( 24) = ( -0.1312364 0.1142641 0.2568096), wk = 0.0022124 k( 25) = ( -0.1369423 0.1192321 0.2679752), wk = 0.0022124 k( 26) = ( -0.1426482 0.1242001 0.2791409), wk = 0.0022124 k( 27) = ( -0.1483542 0.1291681 0.2903065), wk = 0.0022124 k( 28) = ( -0.1540601 0.1341361 0.3014721), wk = 0.0022124 k( 29) = ( -0.1597660 0.1391041 0.3126378), wk = 0.0022124 k( 30) = ( -0.1654720 0.1440721 0.3238034), wk = 0.0022124 k( 31) = ( -0.1711779 0.1490401 0.3349690), wk = 0.0022124 k( 32) = ( -0.1768838 0.1540081 0.3461347), wk = 0.0022124 k( 33) = ( -0.1825897 0.1589761 0.3573003), wk = 0.0022124 k( 34) = ( -0.1882957 0.1639441 0.3684659), wk = 0.0022124 k( 35) = ( -0.1940016 0.1689121 0.3796316), wk = 0.0022124 k( 36) = ( -0.1997075 0.1738801 0.3907972), wk = 0.0022124 k( 37) = ( -0.2054135 0.1788481 0.4019628), wk = 0.0022124 k( 38) = ( -0.2111194 0.1838162 0.4131285), wk = 0.0022124 k( 39) = ( -0.2168253 0.1887841 0.4242941), wk = 0.0022124 k( 40) = ( -0.2225313 0.1937522 0.4354597), wk = 0.0022124 k( 41) = ( -0.2282372 0.1987202 0.4466254), wk = 0.0022124 k( 42) = ( -0.2339431 0.2036882 0.4577910), wk = 0.0022124 k( 43) = ( -0.2396490 0.2086562 0.4689566), wk = 0.0022124 k( 44) = ( -0.2453550 0.2136242 0.4801223), wk = 0.0022124 k( 45) = ( -0.2510609 0.2185922 0.4912879), wk = 0.0022124 k( 46) = ( -0.2567668 0.2235602 0.5024535), wk = 0.0022124 k( 47) = ( -0.2624728 0.2285282 0.5136192), wk = 0.0022124 k( 48) = ( -0.2681787 0.2334962 0.5247848), wk = 0.0022124 k( 49) = ( -0.2738846 0.2384642 0.5359504), wk = 0.0022124 k( 50) = ( -0.2795905 0.2434322 0.5471161), wk = 0.0022124 k( 51) = ( -0.2852965 0.2484002 0.5582817), wk = 0.0022124 k( 52) = ( -0.2910024 0.2533682 0.5694473), wk = 0.0022124 k( 53) = ( -0.2967083 0.2583362 0.5806130), wk = 0.0022124 k( 54) = ( -0.3024143 0.2633042 0.5917786), wk = 0.0022124 k( 55) = ( -0.3081202 0.2682722 0.6029442), wk = 0.0022124 k( 56) = ( -0.3138261 0.2732402 0.6141099), wk = 0.0022124 k( 57) = ( -0.3195321 0.2782082 0.6252755), wk = 0.0022124 k( 58) = ( -0.3252380 0.2831762 0.6364412), wk = 0.0022124 k( 59) = ( -0.3309439 0.2881442 0.6476068), wk = 0.0022124 k( 60) = ( -0.3366498 0.2931122 0.6587724), wk = 0.0022124 k( 61) = ( -0.3423558 0.2980802 0.6699381), wk = 0.0022124 k( 62) = ( -0.3480617 0.3030482 0.6811037), wk = 0.0022124 k( 63) = ( -0.3537676 0.3080163 0.6922693), wk = 0.0022124 k( 64) = ( -0.3537676 0.3080163 0.6922693), wk = 0.0022124 k( 65) = ( -0.3457729 0.3010555 0.6994519), wk = 0.0022124 k( 66) = ( -0.3377782 0.2940947 0.7066345), wk = 0.0022124 k( 67) = ( -0.3297835 0.2871339 0.7138171), wk = 0.0022124 k( 68) = ( -0.3297835 0.2871339 0.7138171), wk = 0.0022124 k( 69) = ( -0.3194778 0.2781610 0.7138171), wk = 0.0022124 k( 70) = ( -0.3091721 0.2691880 0.7138171), wk = 0.0022124 k( 71) = ( -0.2988663 0.2602151 0.7138171), wk = 0.0022124 k( 72) = ( -0.2885606 0.2512422 0.7138172), wk = 0.0022124 k( 73) = ( -0.2782548 0.2422692 0.7138171), wk = 0.0022124 k( 74) = ( -0.2679491 0.2332963 0.7138171), wk = 0.0022124 k( 75) = ( -0.2576434 0.2243234 0.7138171), wk = 0.0022124 k( 76) = ( -0.2473376 0.2153504 0.7138171), wk = 0.0022124 k( 77) = ( -0.2370319 0.2063775 0.7138172), wk = 0.0022124 k( 78) = ( -0.2267262 0.1974046 0.7138171), wk = 0.0022124 k( 79) = ( -0.2164204 0.1884316 0.7138171), wk = 0.0022124 k( 80) = ( -0.2061147 0.1794587 0.7138171), wk = 0.0022124 k( 81) = ( -0.1958090 0.1704858 0.7138171), wk = 0.0022124 k( 82) = ( -0.1855032 0.1615128 0.7138171), wk = 0.0022124 k( 83) = ( -0.1751975 0.1525399 0.7138171), wk = 0.0022124 k( 84) = ( -0.1648918 0.1435670 0.7138171), wk = 0.0022124 k( 85) = ( -0.1545860 0.1345940 0.7138171), wk = 0.0022124 k( 86) = ( -0.1442803 0.1256211 0.7138171), wk = 0.0022124 k( 87) = ( -0.1339746 0.1166482 0.7138172), wk = 0.0022124 k( 88) = ( -0.1236688 0.1076752 0.7138171), wk = 0.0022124 k( 89) = ( -0.1133631 0.0987023 0.7138171), wk = 0.0022124 k( 90) = ( -0.1030574 0.0897293 0.7138171), wk = 0.0022124 k( 91) = ( -0.0927516 0.0807564 0.7138172), wk = 0.0022124 k( 92) = ( -0.0824459 0.0717835 0.7138172), wk = 0.0022124 k( 93) = ( -0.0721402 0.0628105 0.7138171), wk = 0.0022124 k( 94) = ( -0.0618344 0.0538376 0.7138171), wk = 0.0022124 k( 95) = ( -0.0515287 0.0448647 0.7138171), wk = 0.0022124 k( 96) = ( -0.0412229 0.0358917 0.7138171), wk = 0.0022124 k( 97) = ( -0.0309172 0.0269188 0.7138172), wk = 0.0022124 k( 98) = ( -0.0206115 0.0179459 0.7138171), wk = 0.0022124 k( 99) = ( -0.0103057 0.0089729 0.7138171), wk = 0.0022124 k( 100) = ( 0.0000000 0.0000000 0.7138171), wk = 0.0022124 k( 101) = ( 0.0000000 0.0000000 0.7138171), wk = 0.0022124 k( 102) = ( 0.0089286 0.0102548 0.7138171), wk = 0.0022124 k( 103) = ( 0.0178571 0.0205096 0.7138171), wk = 0.0022124 k( 104) = ( 0.0267857 0.0307643 0.7138171), wk = 0.0022124 k( 105) = ( 0.0357143 0.0410191 0.7138171), wk = 0.0022124 k( 106) = ( 0.0446429 0.0512739 0.7138171), wk = 0.0022124 k( 107) = ( 0.0535714 0.0615287 0.7138171), wk = 0.0022124 k( 108) = ( 0.0625000 0.0717835 0.7138171), wk = 0.0022124 k( 109) = ( 0.0714286 0.0820383 0.7138171), wk = 0.0022124 k( 110) = ( 0.0803571 0.0922930 0.7138171), wk = 0.0022124 k( 111) = ( 0.0892857 0.1025478 0.7138171), wk = 0.0022124 k( 112) = ( 0.0982143 0.1128026 0.7138171), wk = 0.0022124 k( 113) = ( 0.1071429 0.1230574 0.7138171), wk = 0.0022124 k( 114) = ( 0.1160714 0.1333122 0.7138171), wk = 0.0022124 k( 115) = ( 0.1250000 0.1435670 0.7138171), wk = 0.0022124 k( 116) = ( 0.1339286 0.1538217 0.7138171), wk = 0.0022124 k( 117) = ( 0.1428571 0.1640765 0.7138171), wk = 0.0022124 k( 118) = ( 0.1517857 0.1743313 0.7138171), wk = 0.0022124 k( 119) = ( 0.1607143 0.1845861 0.7138171), wk = 0.0022124 k( 120) = ( 0.1696429 0.1948409 0.7138171), wk = 0.0022124 k( 121) = ( 0.1785714 0.2050957 0.7138171), wk = 0.0022124 k( 122) = ( 0.1875000 0.2153504 0.7138171), wk = 0.0022124 k( 123) = ( 0.1964286 0.2256052 0.7138171), wk = 0.0022124 k( 124) = ( 0.2053571 0.2358600 0.7138171), wk = 0.0022124 k( 125) = ( 0.2142857 0.2461148 0.7138171), wk = 0.0022124 k( 126) = ( 0.2232143 0.2563696 0.7138171), wk = 0.0022124 k( 127) = ( 0.2321429 0.2666243 0.7138171), wk = 0.0022124 k( 128) = ( 0.2410714 0.2768791 0.7138171), wk = 0.0022124 k( 129) = ( 0.2500000 0.2871339 0.7138171), wk = 0.0022124 k( 130) = ( 0.2500000 0.2871339 0.7138171), wk = 0.0022124 k( 131) = ( 0.2416667 0.2943895 0.7063303), wk = 0.0022124 k( 132) = ( 0.2333333 0.3016451 0.6988435), wk = 0.0022124 k( 133) = ( 0.2250000 0.3089008 0.6913566), wk = 0.0022124 k( 134) = ( 0.2166667 0.3161564 0.6838698), wk = 0.0022124 k( 135) = ( 0.2083333 0.3234120 0.6763829), wk = 0.0022124 k( 136) = ( 0.2000000 0.3306676 0.6688961), wk = 0.0022124 k( 137) = ( 0.1916667 0.3379232 0.6614093), wk = 0.0022124 k( 138) = ( 0.1833333 0.3451788 0.6539224), wk = 0.0022124 k( 139) = ( 0.1750000 0.3524345 0.6464356), wk = 0.0022124 k( 140) = ( 0.1666667 0.3596901 0.6389487), wk = 0.0022124 k( 141) = ( 0.1583333 0.3669457 0.6314619), wk = 0.0022124 k( 142) = ( 0.1500000 0.3742013 0.6239750), wk = 0.0022124 k( 143) = ( 0.1416667 0.3814569 0.6164882), wk = 0.0022124 k( 144) = ( 0.1333333 0.3887125 0.6090014), wk = 0.0022124 k( 145) = ( 0.1250000 0.3959681 0.6015145), wk = 0.0022124 k( 146) = ( 0.1166667 0.4032238 0.5940277), wk = 0.0022124 k( 147) = ( 0.1083333 0.4104794 0.5865408), wk = 0.0022124 k( 148) = ( 0.1000000 0.4177350 0.5790540), wk = 0.0022124 k( 149) = ( 0.0916667 0.4249906 0.5715671), wk = 0.0022124 k( 150) = ( 0.0833333 0.4322462 0.5640803), wk = 0.0022124 k( 151) = ( 0.0750000 0.4395018 0.5565935), wk = 0.0022124 k( 152) = ( 0.0666667 0.4467575 0.5491066), wk = 0.0022124 k( 153) = ( 0.0583333 0.4540131 0.5416198), wk = 0.0022124 k( 154) = ( 0.0500000 0.4612687 0.5341329), wk = 0.0022124 k( 155) = ( 0.0416667 0.4685243 0.5266461), wk = 0.0022124 k( 156) = ( 0.0333333 0.4757799 0.5191592), wk = 0.0022124 k( 157) = ( 0.0250000 0.4830355 0.5116724), wk = 0.0022124 k( 158) = ( 0.0166667 0.4902911 0.5041856), wk = 0.0022124 k( 159) = ( 0.0083333 0.4975468 0.4966987), wk = 0.0022124 k( 160) = ( 0.0000000 0.5048024 0.4892119), wk = 0.0022124 k( 161) = ( 0.0000000 0.5048024 0.4892119), wk = 0.0022124 k( 162) = ( 0.0104049 0.5105902 0.4832396), wk = 0.0022124 k( 163) = ( 0.0208099 0.5163780 0.4772673), wk = 0.0022124 k( 164) = ( 0.0312148 0.5221659 0.4712951), wk = 0.0022124 k( 165) = ( 0.0416197 0.5279537 0.4653228), wk = 0.0022124 k( 166) = ( 0.0520246 0.5337415 0.4593505), wk = 0.0022124 k( 167) = ( 0.0624296 0.5395293 0.4533782), wk = 0.0022124 k( 168) = ( 0.0728345 0.5453172 0.4474059), wk = 0.0022124 k( 169) = ( 0.0832394 0.5511050 0.4414337), wk = 0.0022124 k( 170) = ( 0.0936444 0.5568928 0.4354614), wk = 0.0022124 k( 171) = ( 0.1040493 0.5626807 0.4294891), wk = 0.0022124 k( 172) = ( 0.1144542 0.5684685 0.4235168), wk = 0.0022124 k( 173) = ( 0.1248592 0.5742563 0.4175445), wk = 0.0022124 k( 174) = ( 0.1352641 0.5800441 0.4115723), wk = 0.0022124 k( 175) = ( 0.1456690 0.5858320 0.4056000), wk = 0.0022124 k( 176) = ( 0.1560740 0.5916198 0.3996277), wk = 0.0022124 k( 177) = ( 0.1664789 0.5974076 0.3936554), wk = 0.0022124 k( 178) = ( 0.1768838 0.6031955 0.3876832), wk = 0.0022124 k( 179) = ( 0.1872888 0.6089833 0.3817109), wk = 0.0022124 k( 180) = ( 0.1976937 0.6147711 0.3757386), wk = 0.0022124 k( 181) = ( 0.2080986 0.6205589 0.3697663), wk = 0.0022124 k( 182) = ( 0.2185035 0.6263468 0.3637940), wk = 0.0022124 k( 183) = ( 0.2289085 0.6321346 0.3578218), wk = 0.0022124 k( 184) = ( 0.2393134 0.6379224 0.3518495), wk = 0.0022124 k( 185) = ( 0.2497183 0.6437102 0.3458772), wk = 0.0022124 k( 186) = ( 0.2601233 0.6494981 0.3399049), wk = 0.0022124 k( 187) = ( 0.2705282 0.6552859 0.3339327), wk = 0.0022124 k( 188) = ( 0.2809331 0.6610737 0.3279604), wk = 0.0022124 k( 189) = ( 0.2913381 0.6668616 0.3219881), wk = 0.0022124 k( 190) = ( 0.3017430 0.6726494 0.3160158), wk = 0.0022124 k( 191) = ( 0.3121479 0.6784372 0.3100436), wk = 0.0022124 k( 192) = ( 0.3225528 0.6842250 0.3040713), wk = 0.0022124 k( 193) = ( 0.3329578 0.6900129 0.2980990), wk = 0.0022124 k( 194) = ( 0.3433627 0.6958007 0.2921267), wk = 0.0022124 k( 195) = ( 0.3537676 0.7015885 0.2861544), wk = 0.0022124 k( 196) = ( 0.3537676 0.7015885 0.2861544), wk = 0.0022124 k( 197) = ( 0.3593920 0.6966916 0.2751485), wk = 0.0022124 k( 198) = ( 0.3650163 0.6917946 0.2641426), wk = 0.0022124 k( 199) = ( 0.3706406 0.6868977 0.2531366), wk = 0.0022124 k( 200) = ( 0.3762649 0.6820007 0.2421307), wk = 0.0022124 k( 201) = ( 0.3818892 0.6771038 0.2311247), wk = 0.0022124 k( 202) = ( 0.3875136 0.6722068 0.2201188), wk = 0.0022124 k( 203) = ( 0.3931379 0.6673099 0.2091129), wk = 0.0022124 k( 204) = ( 0.3987622 0.6624129 0.1981069), wk = 0.0022124 k( 205) = ( 0.4043865 0.6575160 0.1871010), wk = 0.0022124 k( 206) = ( 0.4100108 0.6526190 0.1760950), wk = 0.0022124 k( 207) = ( 0.4156352 0.6477221 0.1650891), wk = 0.0022124 k( 208) = ( 0.4212595 0.6428251 0.1540832), wk = 0.0022124 k( 209) = ( 0.4268838 0.6379282 0.1430772), wk = 0.0022124 k( 210) = ( 0.4325081 0.6330312 0.1320713), wk = 0.0022124 k( 211) = ( 0.4381325 0.6281343 0.1210653), wk = 0.0022124 k( 212) = ( 0.4437568 0.6232373 0.1100594), wk = 0.0022124 k( 213) = ( 0.4493811 0.6183404 0.0990535), wk = 0.0022124 k( 214) = ( 0.4550054 0.6134434 0.0880475), wk = 0.0022124 k( 215) = ( 0.4606298 0.6085465 0.0770416), wk = 0.0022124 k( 216) = ( 0.4662541 0.6036495 0.0660356), wk = 0.0022124 k( 217) = ( 0.4718784 0.5987526 0.0550297), wk = 0.0022124 k( 218) = ( 0.4775027 0.5938556 0.0440238), wk = 0.0022124 k( 219) = ( 0.4831270 0.5889587 0.0330178), wk = 0.0022124 k( 220) = ( 0.4887514 0.5840617 0.0220119), wk = 0.0022124 k( 221) = ( 0.4943757 0.5791648 0.0110059), wk = 0.0022124 k( 222) = ( 0.5000000 0.5742678 0.0000000), wk = 0.0022124 k( 223) = ( 0.5000000 0.5742678 0.0000000), wk = 0.0022124 k( 224) = ( 0.4910714 0.5640130 0.0000000), wk = 0.0022124 k( 225) = ( 0.4821429 0.5537583 0.0000000), wk = 0.0022124 k( 226) = ( 0.4732143 0.5435035 0.0000000), wk = 0.0022124 k( 227) = ( 0.4642857 0.5332487 0.0000000), wk = 0.0022124 k( 228) = ( 0.4553571 0.5229939 0.0000000), wk = 0.0022124 k( 229) = ( 0.4464286 0.5127391 0.0000000), wk = 0.0022124 k( 230) = ( 0.4375000 0.5024843 0.0000000), wk = 0.0022124 k( 231) = ( 0.4285714 0.4922296 0.0000000), wk = 0.0022124 k( 232) = ( 0.4196429 0.4819748 0.0000000), wk = 0.0022124 k( 233) = ( 0.4107143 0.4717200 0.0000000), wk = 0.0022124 k( 234) = ( 0.4017857 0.4614652 0.0000000), wk = 0.0022124 k( 235) = ( 0.3928571 0.4512104 0.0000000), wk = 0.0022124 k( 236) = ( 0.3839286 0.4409556 0.0000000), wk = 0.0022124 k( 237) = ( 0.3750000 0.4307009 0.0000000), wk = 0.0022124 k( 238) = ( 0.3660714 0.4204461 0.0000000), wk = 0.0022124 k( 239) = ( 0.3571429 0.4101913 0.0000000), wk = 0.0022124 k( 240) = ( 0.3482143 0.3999365 0.0000000), wk = 0.0022124 k( 241) = ( 0.3392857 0.3896817 0.0000000), wk = 0.0022124 k( 242) = ( 0.3303571 0.3794269 0.0000000), wk = 0.0022124 k( 243) = ( 0.3214286 0.3691722 0.0000000), wk = 0.0022124 k( 244) = ( 0.3125000 0.3589174 0.0000000), wk = 0.0022124 k( 245) = ( 0.3035714 0.3486626 0.0000000), wk = 0.0022124 k( 246) = ( 0.2946429 0.3384078 0.0000000), wk = 0.0022124 k( 247) = ( 0.2857143 0.3281530 0.0000000), wk = 0.0022124 k( 248) = ( 0.2767857 0.3178983 0.0000000), wk = 0.0022124 k( 249) = ( 0.2678571 0.3076435 0.0000000), wk = 0.0022124 k( 250) = ( 0.2589286 0.2973887 0.0000000), wk = 0.0022124 k( 251) = ( 0.2500000 0.2871339 0.0000000), wk = 0.0022124 k( 252) = ( 0.2410714 0.2768791 0.0000000), wk = 0.0022124 k( 253) = ( 0.2321429 0.2666243 0.0000000), wk = 0.0022124 k( 254) = ( 0.2232143 0.2563696 0.0000000), wk = 0.0022124 k( 255) = ( 0.2142857 0.2461148 0.0000000), wk = 0.0022124 k( 256) = ( 0.2053571 0.2358600 0.0000000), wk = 0.0022124 k( 257) = ( 0.1964286 0.2256052 0.0000000), wk = 0.0022124 k( 258) = ( 0.1875000 0.2153504 0.0000000), wk = 0.0022124 k( 259) = ( 0.1785714 0.2050957 0.0000000), wk = 0.0022124 k( 260) = ( 0.1696429 0.1948409 0.0000000), wk = 0.0022124 k( 261) = ( 0.1607143 0.1845861 0.0000000), wk = 0.0022124 k( 262) = ( 0.1517857 0.1743313 0.0000000), wk = 0.0022124 k( 263) = ( 0.1428571 0.1640765 0.0000000), wk = 0.0022124 k( 264) = ( 0.1339286 0.1538217 0.0000000), wk = 0.0022124 k( 265) = ( 0.1250000 0.1435670 0.0000000), wk = 0.0022124 k( 266) = ( 0.1160714 0.1333122 0.0000000), wk = 0.0022124 k( 267) = ( 0.1071429 0.1230574 0.0000000), wk = 0.0022124 k( 268) = ( 0.0982143 0.1128026 0.0000000), wk = 0.0022124 k( 269) = ( 0.0892857 0.1025478 0.0000000), wk = 0.0022124 k( 270) = ( 0.0803571 0.0922930 0.0000000), wk = 0.0022124 k( 271) = ( 0.0714286 0.0820383 0.0000000), wk = 0.0022124 k( 272) = ( 0.0625000 0.0717835 0.0000000), wk = 0.0022124 k( 273) = ( 0.0535714 0.0615287 0.0000000), wk = 0.0022124 k( 274) = ( 0.0446429 0.0512739 0.0000000), wk = 0.0022124 k( 275) = ( 0.0357143 0.0410191 0.0000000), wk = 0.0022124 k( 276) = ( 0.0267857 0.0307643 0.0000000), wk = 0.0022124 k( 277) = ( 0.0178571 0.0205096 0.0000000), wk = 0.0022124 k( 278) = ( 0.0089286 0.0102548 0.0000000), wk = 0.0022124 k( 279) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022124 k( 280) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022124 k( 281) = ( 0.0085003 -0.0074010 0.0076368), wk = 0.0022124 k( 282) = ( 0.0170006 -0.0148020 0.0152737), wk = 0.0022124 k( 283) = ( 0.0255008 -0.0222029 0.0229105), wk = 0.0022124 k( 284) = ( 0.0340011 -0.0296039 0.0305473), wk = 0.0022124 k( 285) = ( 0.0425014 -0.0370049 0.0381842), wk = 0.0022124 k( 286) = ( 0.0510017 -0.0444058 0.0458210), wk = 0.0022124 k( 287) = ( 0.0595020 -0.0518068 0.0534578), wk = 0.0022124 k( 288) = ( 0.0680023 -0.0592078 0.0610947), wk = 0.0022124 k( 289) = ( 0.0765026 -0.0666088 0.0687315), wk = 0.0022124 k( 290) = ( 0.0850028 -0.0740098 0.0763683), wk = 0.0022124 k( 291) = ( 0.0935031 -0.0814107 0.0840052), wk = 0.0022124 k( 292) = ( 0.1020034 -0.0888117 0.0916420), wk = 0.0022124 k( 293) = ( 0.1105037 -0.0962127 0.0992788), wk = 0.0022124 k( 294) = ( 0.1190040 -0.1036137 0.1069157), wk = 0.0022124 k( 295) = ( 0.1275043 -0.1110146 0.1145525), wk = 0.0022124 k( 296) = ( 0.1360045 -0.1184156 0.1221893), wk = 0.0022124 k( 297) = ( 0.1445048 -0.1258166 0.1298262), wk = 0.0022124 k( 298) = ( 0.1530051 -0.1332176 0.1374630), wk = 0.0022124 k( 299) = ( 0.1615054 -0.1406185 0.1450998), wk = 0.0022124 k( 300) = ( 0.1700057 -0.1480195 0.1527367), wk = 0.0022124 k( 301) = ( 0.1785060 -0.1554205 0.1603735), wk = 0.0022124 k( 302) = ( 0.1870062 -0.1628215 0.1680103), wk = 0.0022124 k( 303) = ( 0.1955065 -0.1702224 0.1756472), wk = 0.0022124 k( 304) = ( 0.2040068 -0.1776234 0.1832840), wk = 0.0022124 k( 305) = ( 0.2125071 -0.1850244 0.1909208), wk = 0.0022124 k( 306) = ( 0.2210074 -0.1924254 0.1985577), wk = 0.0022124 k( 307) = ( 0.2295077 -0.1998263 0.2061945), wk = 0.0022124 k( 308) = ( 0.2380079 -0.2072273 0.2138314), wk = 0.0022124 k( 309) = ( 0.2465082 -0.2146283 0.2214682), wk = 0.0022124 k( 310) = ( 0.2550085 -0.2220293 0.2291050), wk = 0.0022124 k( 311) = ( 0.2635088 -0.2294302 0.2367419), wk = 0.0022124 k( 312) = ( 0.2720091 -0.2368312 0.2443787), wk = 0.0022124 k( 313) = ( 0.2805094 -0.2442322 0.2520155), wk = 0.0022124 k( 314) = ( 0.2890097 -0.2516332 0.2596524), wk = 0.0022124 k( 315) = ( 0.2975099 -0.2590341 0.2672892), wk = 0.0022124 k( 316) = ( 0.3060102 -0.2664351 0.2749260), wk = 0.0022124 k( 317) = ( 0.3145105 -0.2738361 0.2825629), wk = 0.0022124 k( 318) = ( 0.3230108 -0.2812371 0.2901997), wk = 0.0022124 k( 319) = ( 0.3315111 -0.2886380 0.2978365), wk = 0.0022124 k( 320) = ( 0.3400113 -0.2960390 0.3054734), wk = 0.0022124 k( 321) = ( 0.3485116 -0.3034400 0.3131102), wk = 0.0022124 k( 322) = ( 0.3570119 -0.3108410 0.3207470), wk = 0.0022124 k( 323) = ( 0.3655122 -0.3182419 0.3283839), wk = 0.0022124 k( 324) = ( 0.3740125 -0.3256429 0.3360207), wk = 0.0022124 k( 325) = ( 0.3825128 -0.3330439 0.3436575), wk = 0.0022124 k( 326) = ( 0.3910130 -0.3404449 0.3512944), wk = 0.0022124 k( 327) = ( 0.3995133 -0.3478458 0.3589312), wk = 0.0022124 k( 328) = ( 0.4080136 -0.3552468 0.3665680), wk = 0.0022124 k( 329) = ( 0.4165139 -0.3626478 0.3742049), wk = 0.0022124 k( 330) = ( 0.4250142 -0.3700488 0.3818417), wk = 0.0022124 k( 331) = ( 0.4335145 -0.3774497 0.3894785), wk = 0.0022124 k( 332) = ( 0.4420148 -0.3848507 0.3971154), wk = 0.0022124 k( 333) = ( 0.4505150 -0.3922517 0.4047522), wk = 0.0022124 k( 334) = ( 0.4590153 -0.3996527 0.4123890), wk = 0.0022124 k( 335) = ( 0.4675156 -0.4070536 0.4200259), wk = 0.0022124 k( 336) = ( 0.4760159 -0.4144546 0.4276627), wk = 0.0022124 k( 337) = ( 0.4760159 -0.4144546 0.4276627), wk = 0.0022124 k( 338) = ( 0.4766309 -0.4020464 0.4224561), wk = 0.0022124 k( 339) = ( 0.4772459 -0.3896382 0.4172495), wk = 0.0022124 k( 340) = ( 0.4778608 -0.3772300 0.4120429), wk = 0.0022124 k( 341) = ( 0.4784758 -0.3648218 0.4068363), wk = 0.0022124 k( 342) = ( 0.4790908 -0.3524136 0.4016297), wk = 0.0022124 k( 343) = ( 0.4797057 -0.3400054 0.3964231), wk = 0.0022124 k( 344) = ( 0.4803207 -0.3275972 0.3912165), wk = 0.0022124 k( 345) = ( 0.4809357 -0.3151890 0.3860099), wk = 0.0022124 k( 346) = ( 0.4815507 -0.3027808 0.3808033), wk = 0.0022124 k( 347) = ( 0.4821657 -0.2903725 0.3755967), wk = 0.0022124 k( 348) = ( 0.4827806 -0.2779643 0.3703901), wk = 0.0022124 k( 349) = ( 0.4833956 -0.2655561 0.3651835), wk = 0.0022124 k( 350) = ( 0.4840106 -0.2531479 0.3599769), wk = 0.0022124 k( 351) = ( 0.4846256 -0.2407397 0.3547703), wk = 0.0022124 k( 352) = ( 0.4852405 -0.2283315 0.3495637), wk = 0.0022124 k( 353) = ( 0.4858555 -0.2159233 0.3443571), wk = 0.0022124 k( 354) = ( 0.4864705 -0.2035151 0.3391505), wk = 0.0022124 k( 355) = ( 0.4870855 -0.1911069 0.3339439), wk = 0.0022124 k( 356) = ( 0.4877005 -0.1786987 0.3287373), wk = 0.0022124 k( 357) = ( 0.4883154 -0.1662905 0.3235307), wk = 0.0022124 k( 358) = ( 0.4889304 -0.1538823 0.3183241), wk = 0.0022124 k( 359) = ( 0.4895454 -0.1414741 0.3131175), wk = 0.0022124 k( 360) = ( 0.4901604 -0.1290659 0.3079109), wk = 0.0022124 k( 361) = ( 0.4907753 -0.1166577 0.3027043), wk = 0.0022124 k( 362) = ( 0.4913903 -0.1042495 0.2974977), wk = 0.0022124 k( 363) = ( 0.4920053 -0.0918412 0.2922911), wk = 0.0022124 k( 364) = ( 0.4926203 -0.0794330 0.2870845), wk = 0.0022124 k( 365) = ( 0.4932353 -0.0670248 0.2818779), wk = 0.0022124 k( 366) = ( 0.4938502 -0.0546166 0.2766713), wk = 0.0022124 k( 367) = ( 0.4944652 -0.0422084 0.2714647), wk = 0.0022124 k( 368) = ( 0.4950802 -0.0298002 0.2662581), wk = 0.0022124 k( 369) = ( 0.4956952 -0.0173920 0.2610515), wk = 0.0022124 k( 370) = ( 0.4963101 -0.0049838 0.2558449), wk = 0.0022124 k( 371) = ( 0.4969251 0.0074244 0.2506383), wk = 0.0022124 k( 372) = ( 0.4975401 0.0198326 0.2454317), wk = 0.0022124 k( 373) = ( 0.4981551 0.0322408 0.2402251), wk = 0.0022124 k( 374) = ( 0.4987701 0.0446490 0.2350185), wk = 0.0022124 k( 375) = ( 0.4993850 0.0570572 0.2298119), wk = 0.0022124 k( 376) = ( 0.5000000 0.0694654 0.2246053), wk = 0.0022124 k( 377) = ( 0.5000000 0.0694654 0.2246053), wk = 0.0022124 k( 378) = ( 0.4943182 0.0744124 0.2357237), wk = 0.0022124 k( 379) = ( 0.4886364 0.0793595 0.2468422), wk = 0.0022124 k( 380) = ( 0.4829545 0.0843065 0.2579606), wk = 0.0022124 k( 381) = ( 0.4772727 0.0892535 0.2690791), wk = 0.0022124 k( 382) = ( 0.4715909 0.0942005 0.2801975), wk = 0.0022124 k( 383) = ( 0.4659091 0.0991475 0.2913160), wk = 0.0022124 k( 384) = ( 0.4602273 0.1040945 0.3024344), wk = 0.0022124 k( 385) = ( 0.4545455 0.1090415 0.3135529), wk = 0.0022124 k( 386) = ( 0.4488636 0.1139885 0.3246713), wk = 0.0022124 k( 387) = ( 0.4431818 0.1189355 0.3357898), wk = 0.0022124 k( 388) = ( 0.4375000 0.1238826 0.3469082), wk = 0.0022124 k( 389) = ( 0.4318182 0.1288296 0.3580267), wk = 0.0022124 k( 390) = ( 0.4261364 0.1337766 0.3691451), wk = 0.0022124 k( 391) = ( 0.4204545 0.1387236 0.3802636), wk = 0.0022124 k( 392) = ( 0.4147727 0.1436706 0.3913820), wk = 0.0022124 k( 393) = ( 0.4090909 0.1486176 0.4025005), wk = 0.0022124 k( 394) = ( 0.4034091 0.1535646 0.4136189), wk = 0.0022124 k( 395) = ( 0.3977273 0.1585116 0.4247374), wk = 0.0022124 k( 396) = ( 0.3920455 0.1634586 0.4358559), wk = 0.0022124 k( 397) = ( 0.3863636 0.1684056 0.4469743), wk = 0.0022124 k( 398) = ( 0.3806818 0.1733527 0.4580928), wk = 0.0022124 k( 399) = ( 0.3750000 0.1782997 0.4692112), wk = 0.0022124 k( 400) = ( 0.3693182 0.1832467 0.4803297), wk = 0.0022124 k( 401) = ( 0.3636364 0.1881937 0.4914481), wk = 0.0022124 k( 402) = ( 0.3579545 0.1931407 0.5025666), wk = 0.0022124 k( 403) = ( 0.3522727 0.1980877 0.5136850), wk = 0.0022124 k( 404) = ( 0.3465909 0.2030347 0.5248035), wk = 0.0022124 k( 405) = ( 0.3409091 0.2079817 0.5359219), wk = 0.0022124 k( 406) = ( 0.3352273 0.2129287 0.5470404), wk = 0.0022124 k( 407) = ( 0.3295455 0.2178758 0.5581588), wk = 0.0022124 k( 408) = ( 0.3238636 0.2228228 0.5692773), wk = 0.0022124 k( 409) = ( 0.3181818 0.2277698 0.5803957), wk = 0.0022124 k( 410) = ( 0.3125000 0.2327168 0.5915142), wk = 0.0022124 k( 411) = ( 0.3068182 0.2376638 0.6026326), wk = 0.0022124 k( 412) = ( 0.3011364 0.2426108 0.6137511), wk = 0.0022124 k( 413) = ( 0.2954545 0.2475578 0.6248695), wk = 0.0022124 k( 414) = ( 0.2897727 0.2525048 0.6359880), wk = 0.0022124 k( 415) = ( 0.2840909 0.2574518 0.6471064), wk = 0.0022124 k( 416) = ( 0.2784091 0.2623989 0.6582249), wk = 0.0022124 k( 417) = ( 0.2727273 0.2673459 0.6693433), wk = 0.0022124 k( 418) = ( 0.2670455 0.2722929 0.6804618), wk = 0.0022124 k( 419) = ( 0.2613636 0.2772399 0.6915802), wk = 0.0022124 k( 420) = ( 0.2556818 0.2821869 0.7026987), wk = 0.0022124 k( 421) = ( 0.2500000 0.2871339 0.7138171), wk = 0.0022124 k( 422) = ( 0.3297835 -0.2871339 0.7138172), wk = 0.0022124 k( 423) = ( 0.3354079 -0.2920309 0.7028112), wk = 0.0022124 k( 424) = ( 0.3410322 -0.2969278 0.6918053), wk = 0.0022124 k( 425) = ( 0.3466565 -0.3018248 0.6807993), wk = 0.0022124 k( 426) = ( 0.3522808 -0.3067217 0.6697934), wk = 0.0022124 k( 427) = ( 0.3579051 -0.3116187 0.6587875), wk = 0.0022124 k( 428) = ( 0.3635295 -0.3165156 0.6477815), wk = 0.0022124 k( 429) = ( 0.3691538 -0.3214126 0.6367756), wk = 0.0022124 k( 430) = ( 0.3747781 -0.3263095 0.6257696), wk = 0.0022124 k( 431) = ( 0.3804024 -0.3312065 0.6147637), wk = 0.0022124 k( 432) = ( 0.3860267 -0.3361034 0.6037578), wk = 0.0022124 k( 433) = ( 0.3916511 -0.3410004 0.5927518), wk = 0.0022124 k( 434) = ( 0.3972754 -0.3458973 0.5817459), wk = 0.0022124 k( 435) = ( 0.4028997 -0.3507943 0.5707399), wk = 0.0022124 k( 436) = ( 0.4085240 -0.3556912 0.5597340), wk = 0.0022124 k( 437) = ( 0.4141483 -0.3605882 0.5487280), wk = 0.0022124 k( 438) = ( 0.4197727 -0.3654851 0.5377221), wk = 0.0022124 k( 439) = ( 0.4253970 -0.3703821 0.5267162), wk = 0.0022124 k( 440) = ( 0.4310213 -0.3752790 0.5157102), wk = 0.0022124 k( 441) = ( 0.4366456 -0.3801760 0.5047043), wk = 0.0022124 k( 442) = ( 0.4422700 -0.3850729 0.4936983), wk = 0.0022124 k( 443) = ( 0.4478943 -0.3899699 0.4826924), wk = 0.0022124 k( 444) = ( 0.4535186 -0.3948668 0.4716865), wk = 0.0022124 k( 445) = ( 0.4591429 -0.3997638 0.4606805), wk = 0.0022124 k( 446) = ( 0.4647673 -0.4046607 0.4496746), wk = 0.0022124 k( 447) = ( 0.4703916 -0.4095577 0.4386686), wk = 0.0022124 k( 448) = ( 0.4760159 -0.4144546 0.4276627), wk = 0.0022124 k( 449) = ( 0.5239841 0.5533855 0.0215478), wk = 0.0022124 k( 450) = ( 0.5159894 0.5603463 0.0143652), wk = 0.0022124 k( 451) = ( 0.5079947 0.5673070 0.0071826), wk = 0.0022124 k( 452) = ( 0.5000000 0.5742678 0.0000000), wk = 0.0022124 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022124 k( 2) = ( -0.0057059 0.0057059 0.0057059), wk = 0.0022124 k( 3) = ( -0.0114119 0.0114119 0.0114119), wk = 0.0022124 k( 4) = ( -0.0171178 0.0171178 0.0171178), wk = 0.0022124 k( 5) = ( -0.0228237 0.0228237 0.0228237), wk = 0.0022124 k( 6) = ( -0.0285297 0.0285297 0.0285296), wk = 0.0022124 k( 7) = ( -0.0342356 0.0342356 0.0342356), wk = 0.0022124 k( 8) = ( -0.0399415 0.0399415 0.0399415), wk = 0.0022124 k( 9) = ( -0.0456474 0.0456474 0.0456474), wk = 0.0022124 k( 10) = ( -0.0513534 0.0513534 0.0513534), wk = 0.0022124 k( 11) = ( -0.0570593 0.0570593 0.0570593), wk = 0.0022124 k( 12) = ( -0.0627652 0.0627652 0.0627652), wk = 0.0022124 k( 13) = ( -0.0684712 0.0684712 0.0684712), wk = 0.0022124 k( 14) = ( -0.0741771 0.0741771 0.0741771), wk = 0.0022124 k( 15) = ( -0.0798830 0.0798830 0.0798830), wk = 0.0022124 k( 16) = ( -0.0855889 0.0855889 0.0855889), wk = 0.0022124 k( 17) = ( -0.0912949 0.0912949 0.0912949), wk = 0.0022124 k( 18) = ( -0.0970008 0.0970008 0.0970008), wk = 0.0022124 k( 19) = ( -0.1027067 0.1027067 0.1027067), wk = 0.0022124 k( 20) = ( -0.1084127 0.1084127 0.1084127), wk = 0.0022124 k( 21) = ( -0.1141186 0.1141186 0.1141186), wk = 0.0022124 k( 22) = ( -0.1198245 0.1198245 0.1198245), wk = 0.0022124 k( 23) = ( -0.1255304 0.1255305 0.1255304), wk = 0.0022124 k( 24) = ( -0.1312364 0.1312364 0.1312364), wk = 0.0022124 k( 25) = ( -0.1369423 0.1369423 0.1369423), wk = 0.0022124 k( 26) = ( -0.1426482 0.1426482 0.1426482), wk = 0.0022124 k( 27) = ( -0.1483542 0.1483542 0.1483542), wk = 0.0022124 k( 28) = ( -0.1540601 0.1540601 0.1540601), wk = 0.0022124 k( 29) = ( -0.1597660 0.1597660 0.1597660), wk = 0.0022124 k( 30) = ( -0.1654720 0.1654720 0.1654720), wk = 0.0022124 k( 31) = ( -0.1711779 0.1711779 0.1711779), wk = 0.0022124 k( 32) = ( -0.1768838 0.1768838 0.1768838), wk = 0.0022124 k( 33) = ( -0.1825897 0.1825897 0.1825897), wk = 0.0022124 k( 34) = ( -0.1882957 0.1882957 0.1882957), wk = 0.0022124 k( 35) = ( -0.1940016 0.1940016 0.1940016), wk = 0.0022124 k( 36) = ( -0.1997075 0.1997075 0.1997075), wk = 0.0022124 k( 37) = ( -0.2054135 0.2054135 0.2054135), wk = 0.0022124 k( 38) = ( -0.2111194 0.2111194 0.2111194), wk = 0.0022124 k( 39) = ( -0.2168253 0.2168253 0.2168253), wk = 0.0022124 k( 40) = ( -0.2225313 0.2225313 0.2225312), wk = 0.0022124 k( 41) = ( -0.2282372 0.2282372 0.2282372), wk = 0.0022124 k( 42) = ( -0.2339431 0.2339431 0.2339431), wk = 0.0022124 k( 43) = ( -0.2396490 0.2396490 0.2396490), wk = 0.0022124 k( 44) = ( -0.2453550 0.2453550 0.2453550), wk = 0.0022124 k( 45) = ( -0.2510609 0.2510609 0.2510609), wk = 0.0022124 k( 46) = ( -0.2567668 0.2567668 0.2567668), wk = 0.0022124 k( 47) = ( -0.2624728 0.2624728 0.2624728), wk = 0.0022124 k( 48) = ( -0.2681787 0.2681787 0.2681787), wk = 0.0022124 k( 49) = ( -0.2738846 0.2738846 0.2738846), wk = 0.0022124 k( 50) = ( -0.2795905 0.2795906 0.2795905), wk = 0.0022124 k( 51) = ( -0.2852965 0.2852965 0.2852965), wk = 0.0022124 k( 52) = ( -0.2910024 0.2910024 0.2910024), wk = 0.0022124 k( 53) = ( -0.2967083 0.2967083 0.2967083), wk = 0.0022124 k( 54) = ( -0.3024143 0.3024143 0.3024143), wk = 0.0022124 k( 55) = ( -0.3081202 0.3081202 0.3081202), wk = 0.0022124 k( 56) = ( -0.3138261 0.3138261 0.3138261), wk = 0.0022124 k( 57) = ( -0.3195321 0.3195321 0.3195321), wk = 0.0022124 k( 58) = ( -0.3252380 0.3252380 0.3252380), wk = 0.0022124 k( 59) = ( -0.3309439 0.3309439 0.3309439), wk = 0.0022124 k( 60) = ( -0.3366498 0.3366499 0.3366498), wk = 0.0022124 k( 61) = ( -0.3423558 0.3423558 0.3423558), wk = 0.0022124 k( 62) = ( -0.3480617 0.3480617 0.3480617), wk = 0.0022124 k( 63) = ( -0.3537676 0.3537676 0.3537676), wk = 0.0022124 k( 64) = ( -0.3537676 0.3537676 0.3537676), wk = 0.0022124 k( 65) = ( -0.3457729 0.3457729 0.3617623), wk = 0.0022124 k( 66) = ( -0.3377782 0.3377782 0.3697570), wk = 0.0022124 k( 67) = ( -0.3297835 0.3297835 0.3777517), wk = 0.0022124 k( 68) = ( -0.3297835 0.3297835 0.3777517), wk = 0.0022124 k( 69) = ( -0.3194778 0.3194778 0.3815720), wk = 0.0022124 k( 70) = ( -0.3091721 0.3091721 0.3853923), wk = 0.0022124 k( 71) = ( -0.2988663 0.2988663 0.3892125), wk = 0.0022124 k( 72) = ( -0.2885606 0.2885606 0.3930328), wk = 0.0022124 k( 73) = ( -0.2782548 0.2782548 0.3968530), wk = 0.0022124 k( 74) = ( -0.2679491 0.2679491 0.4006733), wk = 0.0022124 k( 75) = ( -0.2576434 0.2576434 0.4044935), wk = 0.0022124 k( 76) = ( -0.2473376 0.2473376 0.4083138), wk = 0.0022124 k( 77) = ( -0.2370319 0.2370319 0.4121341), wk = 0.0022124 k( 78) = ( -0.2267262 0.2267262 0.4159543), wk = 0.0022124 k( 79) = ( -0.2164204 0.2164204 0.4197746), wk = 0.0022124 k( 80) = ( -0.2061147 0.2061147 0.4235948), wk = 0.0022124 k( 81) = ( -0.1958090 0.1958090 0.4274151), wk = 0.0022124 k( 82) = ( -0.1855032 0.1855032 0.4312354), wk = 0.0022124 k( 83) = ( -0.1751975 0.1751975 0.4350556), wk = 0.0022124 k( 84) = ( -0.1648918 0.1648918 0.4388759), wk = 0.0022124 k( 85) = ( -0.1545860 0.1545860 0.4426961), wk = 0.0022124 k( 86) = ( -0.1442803 0.1442803 0.4465164), wk = 0.0022124 k( 87) = ( -0.1339746 0.1339746 0.4503367), wk = 0.0022124 k( 88) = ( -0.1236688 0.1236688 0.4541569), wk = 0.0022124 k( 89) = ( -0.1133631 0.1133631 0.4579772), wk = 0.0022124 k( 90) = ( -0.1030574 0.1030574 0.4617974), wk = 0.0022124 k( 91) = ( -0.0927516 0.0927516 0.4656177), wk = 0.0022124 k( 92) = ( -0.0824459 0.0824459 0.4694379), wk = 0.0022124 k( 93) = ( -0.0721402 0.0721402 0.4732582), wk = 0.0022124 k( 94) = ( -0.0618344 0.0618344 0.4770784), wk = 0.0022124 k( 95) = ( -0.0515287 0.0515287 0.4808987), wk = 0.0022124 k( 96) = ( -0.0412229 0.0412229 0.4847190), wk = 0.0022124 k( 97) = ( -0.0309172 0.0309172 0.4885392), wk = 0.0022124 k( 98) = ( -0.0206115 0.0206115 0.4923595), wk = 0.0022124 k( 99) = ( -0.0103057 0.0103057 0.4961797), wk = 0.0022124 k( 100) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022124 k( 101) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022124 k( 102) = ( 0.0089286 0.0089286 0.4910714), wk = 0.0022124 k( 103) = ( 0.0178571 0.0178571 0.4821429), wk = 0.0022124 k( 104) = ( 0.0267857 0.0267857 0.4732143), wk = 0.0022124 k( 105) = ( 0.0357143 0.0357143 0.4642857), wk = 0.0022124 k( 106) = ( 0.0446429 0.0446429 0.4553571), wk = 0.0022124 k( 107) = ( 0.0535714 0.0535714 0.4464286), wk = 0.0022124 k( 108) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0022124 k( 109) = ( 0.0714286 0.0714286 0.4285714), wk = 0.0022124 k( 110) = ( 0.0803571 0.0803571 0.4196429), wk = 0.0022124 k( 111) = ( 0.0892857 0.0892857 0.4107143), wk = 0.0022124 k( 112) = ( 0.0982143 0.0982143 0.4017857), wk = 0.0022124 k( 113) = ( 0.1071429 0.1071429 0.3928571), wk = 0.0022124 k( 114) = ( 0.1160714 0.1160714 0.3839286), wk = 0.0022124 k( 115) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0022124 k( 116) = ( 0.1339286 0.1339286 0.3660714), wk = 0.0022124 k( 117) = ( 0.1428571 0.1428571 0.3571429), wk = 0.0022124 k( 118) = ( 0.1517857 0.1517857 0.3482143), wk = 0.0022124 k( 119) = ( 0.1607143 0.1607143 0.3392857), wk = 0.0022124 k( 120) = ( 0.1696429 0.1696429 0.3303571), wk = 0.0022124 k( 121) = ( 0.1785714 0.1785714 0.3214286), wk = 0.0022124 k( 122) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0022124 k( 123) = ( 0.1964286 0.1964286 0.3035714), wk = 0.0022124 k( 124) = ( 0.2053571 0.2053571 0.2946429), wk = 0.0022124 k( 125) = ( 0.2142857 0.2142857 0.2857143), wk = 0.0022124 k( 126) = ( 0.2232143 0.2232143 0.2767857), wk = 0.0022124 k( 127) = ( 0.2321429 0.2321429 0.2678571), wk = 0.0022124 k( 128) = ( 0.2410714 0.2410714 0.2589286), wk = 0.0022124 k( 129) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0022124 k( 130) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0022124 k( 131) = ( 0.2416667 0.2583333 0.2416667), wk = 0.0022124 k( 132) = ( 0.2333333 0.2666667 0.2333333), wk = 0.0022124 k( 133) = ( 0.2250000 0.2750000 0.2250000), wk = 0.0022124 k( 134) = ( 0.2166667 0.2833333 0.2166667), wk = 0.0022124 k( 135) = ( 0.2083333 0.2916667 0.2083333), wk = 0.0022124 k( 136) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0022124 k( 137) = ( 0.1916667 0.3083333 0.1916667), wk = 0.0022124 k( 138) = ( 0.1833333 0.3166667 0.1833333), wk = 0.0022124 k( 139) = ( 0.1750000 0.3250000 0.1750000), wk = 0.0022124 k( 140) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0022124 k( 141) = ( 0.1583333 0.3416667 0.1583333), wk = 0.0022124 k( 142) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0022124 k( 143) = ( 0.1416667 0.3583333 0.1416667), wk = 0.0022124 k( 144) = ( 0.1333333 0.3666667 0.1333333), wk = 0.0022124 k( 145) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0022124 k( 146) = ( 0.1166667 0.3833333 0.1166667), wk = 0.0022124 k( 147) = ( 0.1083333 0.3916667 0.1083333), wk = 0.0022124 k( 148) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0022124 k( 149) = ( 0.0916667 0.4083333 0.0916667), wk = 0.0022124 k( 150) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0022124 k( 151) = ( 0.0750000 0.4250000 0.0750000), wk = 0.0022124 k( 152) = ( 0.0666667 0.4333333 0.0666667), wk = 0.0022124 k( 153) = ( 0.0583333 0.4416667 0.0583333), wk = 0.0022124 k( 154) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0022124 k( 155) = ( 0.0416667 0.4583333 0.0416667), wk = 0.0022124 k( 156) = ( 0.0333333 0.4666667 0.0333333), wk = 0.0022124 k( 157) = ( 0.0250000 0.4750000 0.0250000), wk = 0.0022124 k( 158) = ( 0.0166667 0.4833333 0.0166667), wk = 0.0022124 k( 159) = ( 0.0083333 0.4916667 0.0083333), wk = 0.0022124 k( 160) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0022124 k( 161) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0022124 k( 162) = ( 0.0104049 0.5043010 -0.0104049), wk = 0.0022124 k( 163) = ( 0.0208099 0.5086019 -0.0208099), wk = 0.0022124 k( 164) = ( 0.0312148 0.5129029 -0.0312148), wk = 0.0022124 k( 165) = ( 0.0416197 0.5172038 -0.0416197), wk = 0.0022124 k( 166) = ( 0.0520246 0.5215048 -0.0520247), wk = 0.0022124 k( 167) = ( 0.0624296 0.5258057 -0.0624296), wk = 0.0022124 k( 168) = ( 0.0728345 0.5301067 -0.0728345), wk = 0.0022124 k( 169) = ( 0.0832394 0.5344076 -0.0832394), wk = 0.0022124 k( 170) = ( 0.0936444 0.5387086 -0.0936444), wk = 0.0022124 k( 171) = ( 0.1040493 0.5430095 -0.1040493), wk = 0.0022124 k( 172) = ( 0.1144542 0.5473105 -0.1144542), wk = 0.0022124 k( 173) = ( 0.1248592 0.5516114 -0.1248592), wk = 0.0022124 k( 174) = ( 0.1352641 0.5559124 -0.1352641), wk = 0.0022124 k( 175) = ( 0.1456690 0.5602133 -0.1456690), wk = 0.0022124 k( 176) = ( 0.1560740 0.5645143 -0.1560740), wk = 0.0022124 k( 177) = ( 0.1664789 0.5688152 -0.1664789), wk = 0.0022124 k( 178) = ( 0.1768838 0.5731162 -0.1768838), wk = 0.0022124 k( 179) = ( 0.1872888 0.5774171 -0.1872888), wk = 0.0022124 k( 180) = ( 0.1976937 0.5817181 -0.1976937), wk = 0.0022124 k( 181) = ( 0.2080986 0.5860190 -0.2080986), wk = 0.0022124 k( 182) = ( 0.2185035 0.5903200 -0.2185035), wk = 0.0022124 k( 183) = ( 0.2289085 0.5946209 -0.2289085), wk = 0.0022124 k( 184) = ( 0.2393134 0.5989219 -0.2393134), wk = 0.0022124 k( 185) = ( 0.2497183 0.6032228 -0.2497183), wk = 0.0022124 k( 186) = ( 0.2601233 0.6075238 -0.2601233), wk = 0.0022124 k( 187) = ( 0.2705282 0.6118248 -0.2705282), wk = 0.0022124 k( 188) = ( 0.2809331 0.6161257 -0.2809331), wk = 0.0022124 k( 189) = ( 0.2913381 0.6204267 -0.2913381), wk = 0.0022124 k( 190) = ( 0.3017430 0.6247276 -0.3017430), wk = 0.0022124 k( 191) = ( 0.3121479 0.6290286 -0.3121479), wk = 0.0022124 k( 192) = ( 0.3225528 0.6333295 -0.3225528), wk = 0.0022124 k( 193) = ( 0.3329578 0.6376305 -0.3329578), wk = 0.0022124 k( 194) = ( 0.3433627 0.6419314 -0.3433627), wk = 0.0022124 k( 195) = ( 0.3537676 0.6462324 -0.3537676), wk = 0.0022124 k( 196) = ( 0.3537676 0.6462324 -0.3537676), wk = 0.0022124 k( 197) = ( 0.3593920 0.6406080 -0.3593920), wk = 0.0022124 k( 198) = ( 0.3650163 0.6349837 -0.3650163), wk = 0.0022124 k( 199) = ( 0.3706406 0.6293594 -0.3706406), wk = 0.0022124 k( 200) = ( 0.3762649 0.6237351 -0.3762649), wk = 0.0022124 k( 201) = ( 0.3818892 0.6181108 -0.3818892), wk = 0.0022124 k( 202) = ( 0.3875136 0.6124864 -0.3875136), wk = 0.0022124 k( 203) = ( 0.3931379 0.6068621 -0.3931379), wk = 0.0022124 k( 204) = ( 0.3987622 0.6012378 -0.3987622), wk = 0.0022124 k( 205) = ( 0.4043865 0.5956135 -0.4043865), wk = 0.0022124 k( 206) = ( 0.4100108 0.5899892 -0.4100109), wk = 0.0022124 k( 207) = ( 0.4156352 0.5843648 -0.4156352), wk = 0.0022124 k( 208) = ( 0.4212595 0.5787405 -0.4212595), wk = 0.0022124 k( 209) = ( 0.4268838 0.5731162 -0.4268838), wk = 0.0022124 k( 210) = ( 0.4325081 0.5674919 -0.4325081), wk = 0.0022124 k( 211) = ( 0.4381325 0.5618675 -0.4381325), wk = 0.0022124 k( 212) = ( 0.4437568 0.5562432 -0.4437568), wk = 0.0022124 k( 213) = ( 0.4493811 0.5506189 -0.4493811), wk = 0.0022124 k( 214) = ( 0.4550054 0.5449946 -0.4550054), wk = 0.0022124 k( 215) = ( 0.4606298 0.5393703 -0.4606298), wk = 0.0022124 k( 216) = ( 0.4662541 0.5337459 -0.4662541), wk = 0.0022124 k( 217) = ( 0.4718784 0.5281216 -0.4718784), wk = 0.0022124 k( 218) = ( 0.4775027 0.5224973 -0.4775027), wk = 0.0022124 k( 219) = ( 0.4831270 0.5168730 -0.4831270), wk = 0.0022124 k( 220) = ( 0.4887514 0.5112486 -0.4887514), wk = 0.0022124 k( 221) = ( 0.4943757 0.5056243 -0.4943757), wk = 0.0022124 k( 222) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0022124 k( 223) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0022124 k( 224) = ( 0.4910714 0.4910714 -0.4910714), wk = 0.0022124 k( 225) = ( 0.4821429 0.4821429 -0.4821429), wk = 0.0022124 k( 226) = ( 0.4732143 0.4732143 -0.4732143), wk = 0.0022124 k( 227) = ( 0.4642857 0.4642857 -0.4642857), wk = 0.0022124 k( 228) = ( 0.4553571 0.4553571 -0.4553571), wk = 0.0022124 k( 229) = ( 0.4464286 0.4464286 -0.4464286), wk = 0.0022124 k( 230) = ( 0.4375000 0.4375000 -0.4375000), wk = 0.0022124 k( 231) = ( 0.4285714 0.4285714 -0.4285714), wk = 0.0022124 k( 232) = ( 0.4196429 0.4196429 -0.4196429), wk = 0.0022124 k( 233) = ( 0.4107143 0.4107143 -0.4107143), wk = 0.0022124 k( 234) = ( 0.4017857 0.4017857 -0.4017857), wk = 0.0022124 k( 235) = ( 0.3928571 0.3928571 -0.3928571), wk = 0.0022124 k( 236) = ( 0.3839286 0.3839286 -0.3839286), wk = 0.0022124 k( 237) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0022124 k( 238) = ( 0.3660714 0.3660714 -0.3660714), wk = 0.0022124 k( 239) = ( 0.3571429 0.3571429 -0.3571429), wk = 0.0022124 k( 240) = ( 0.3482143 0.3482143 -0.3482143), wk = 0.0022124 k( 241) = ( 0.3392857 0.3392857 -0.3392857), wk = 0.0022124 k( 242) = ( 0.3303571 0.3303571 -0.3303571), wk = 0.0022124 k( 243) = ( 0.3214286 0.3214286 -0.3214286), wk = 0.0022124 k( 244) = ( 0.3125000 0.3125000 -0.3125000), wk = 0.0022124 k( 245) = ( 0.3035714 0.3035714 -0.3035714), wk = 0.0022124 k( 246) = ( 0.2946429 0.2946429 -0.2946429), wk = 0.0022124 k( 247) = ( 0.2857143 0.2857143 -0.2857143), wk = 0.0022124 k( 248) = ( 0.2767857 0.2767857 -0.2767857), wk = 0.0022124 k( 249) = ( 0.2678571 0.2678571 -0.2678571), wk = 0.0022124 k( 250) = ( 0.2589286 0.2589286 -0.2589286), wk = 0.0022124 k( 251) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0022124 k( 252) = ( 0.2410714 0.2410714 -0.2410714), wk = 0.0022124 k( 253) = ( 0.2321429 0.2321429 -0.2321429), wk = 0.0022124 k( 254) = ( 0.2232143 0.2232143 -0.2232143), wk = 0.0022124 k( 255) = ( 0.2142857 0.2142857 -0.2142857), wk = 0.0022124 k( 256) = ( 0.2053571 0.2053571 -0.2053571), wk = 0.0022124 k( 257) = ( 0.1964286 0.1964286 -0.1964286), wk = 0.0022124 k( 258) = ( 0.1875000 0.1875000 -0.1875000), wk = 0.0022124 k( 259) = ( 0.1785714 0.1785714 -0.1785714), wk = 0.0022124 k( 260) = ( 0.1696429 0.1696429 -0.1696429), wk = 0.0022124 k( 261) = ( 0.1607143 0.1607143 -0.1607143), wk = 0.0022124 k( 262) = ( 0.1517857 0.1517857 -0.1517857), wk = 0.0022124 k( 263) = ( 0.1428571 0.1428571 -0.1428571), wk = 0.0022124 k( 264) = ( 0.1339286 0.1339286 -0.1339286), wk = 0.0022124 k( 265) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0022124 k( 266) = ( 0.1160714 0.1160714 -0.1160714), wk = 0.0022124 k( 267) = ( 0.1071429 0.1071429 -0.1071429), wk = 0.0022124 k( 268) = ( 0.0982143 0.0982143 -0.0982143), wk = 0.0022124 k( 269) = ( 0.0892857 0.0892857 -0.0892857), wk = 0.0022124 k( 270) = ( 0.0803571 0.0803571 -0.0803571), wk = 0.0022124 k( 271) = ( 0.0714286 0.0714286 -0.0714286), wk = 0.0022124 k( 272) = ( 0.0625000 0.0625000 -0.0625000), wk = 0.0022124 k( 273) = ( 0.0535714 0.0535714 -0.0535714), wk = 0.0022124 k( 274) = ( 0.0446429 0.0446429 -0.0446429), wk = 0.0022124 k( 275) = ( 0.0357143 0.0357143 -0.0357143), wk = 0.0022124 k( 276) = ( 0.0267857 0.0267857 -0.0267857), wk = 0.0022124 k( 277) = ( 0.0178571 0.0178571 -0.0178571), wk = 0.0022124 k( 278) = ( 0.0089286 0.0089286 -0.0089286), wk = 0.0022124 k( 279) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022124 k( 280) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022124 k( 281) = ( 0.0085003 -0.0085003 0.0085003), wk = 0.0022124 k( 282) = ( 0.0170006 -0.0170006 0.0170006), wk = 0.0022124 k( 283) = ( 0.0255008 -0.0255008 0.0255009), wk = 0.0022124 k( 284) = ( 0.0340011 -0.0340011 0.0340011), wk = 0.0022124 k( 285) = ( 0.0425014 -0.0425014 0.0425014), wk = 0.0022124 k( 286) = ( 0.0510017 -0.0510017 0.0510017), wk = 0.0022124 k( 287) = ( 0.0595020 -0.0595020 0.0595020), wk = 0.0022124 k( 288) = ( 0.0680023 -0.0680023 0.0680023), wk = 0.0022124 k( 289) = ( 0.0765026 -0.0765026 0.0765026), wk = 0.0022124 k( 290) = ( 0.0850028 -0.0850028 0.0850028), wk = 0.0022124 k( 291) = ( 0.0935031 -0.0935031 0.0935031), wk = 0.0022124 k( 292) = ( 0.1020034 -0.1020034 0.1020034), wk = 0.0022124 k( 293) = ( 0.1105037 -0.1105037 0.1105037), wk = 0.0022124 k( 294) = ( 0.1190040 -0.1190040 0.1190040), wk = 0.0022124 k( 295) = ( 0.1275043 -0.1275043 0.1275043), wk = 0.0022124 k( 296) = ( 0.1360045 -0.1360045 0.1360045), wk = 0.0022124 k( 297) = ( 0.1445048 -0.1445048 0.1445048), wk = 0.0022124 k( 298) = ( 0.1530051 -0.1530051 0.1530051), wk = 0.0022124 k( 299) = ( 0.1615054 -0.1615054 0.1615054), wk = 0.0022124 k( 300) = ( 0.1700057 -0.1700057 0.1700057), wk = 0.0022124 k( 301) = ( 0.1785060 -0.1785060 0.1785060), wk = 0.0022124 k( 302) = ( 0.1870062 -0.1870062 0.1870062), wk = 0.0022124 k( 303) = ( 0.1955065 -0.1955065 0.1955065), wk = 0.0022124 k( 304) = ( 0.2040068 -0.2040068 0.2040068), wk = 0.0022124 k( 305) = ( 0.2125071 -0.2125071 0.2125071), wk = 0.0022124 k( 306) = ( 0.2210074 -0.2210074 0.2210074), wk = 0.0022124 k( 307) = ( 0.2295077 -0.2295077 0.2295077), wk = 0.0022124 k( 308) = ( 0.2380079 -0.2380079 0.2380079), wk = 0.0022124 k( 309) = ( 0.2465082 -0.2465082 0.2465082), wk = 0.0022124 k( 310) = ( 0.2550085 -0.2550085 0.2550085), wk = 0.0022124 k( 311) = ( 0.2635088 -0.2635088 0.2635088), wk = 0.0022124 k( 312) = ( 0.2720091 -0.2720091 0.2720091), wk = 0.0022124 k( 313) = ( 0.2805094 -0.2805094 0.2805094), wk = 0.0022124 k( 314) = ( 0.2890097 -0.2890097 0.2890097), wk = 0.0022124 k( 315) = ( 0.2975099 -0.2975099 0.2975099), wk = 0.0022124 k( 316) = ( 0.3060102 -0.3060102 0.3060102), wk = 0.0022124 k( 317) = ( 0.3145105 -0.3145105 0.3145105), wk = 0.0022124 k( 318) = ( 0.3230108 -0.3230108 0.3230108), wk = 0.0022124 k( 319) = ( 0.3315111 -0.3315111 0.3315111), wk = 0.0022124 k( 320) = ( 0.3400113 -0.3400114 0.3400114), wk = 0.0022124 k( 321) = ( 0.3485116 -0.3485116 0.3485116), wk = 0.0022124 k( 322) = ( 0.3570119 -0.3570119 0.3570119), wk = 0.0022124 k( 323) = ( 0.3655122 -0.3655122 0.3655122), wk = 0.0022124 k( 324) = ( 0.3740125 -0.3740125 0.3740125), wk = 0.0022124 k( 325) = ( 0.3825128 -0.3825128 0.3825128), wk = 0.0022124 k( 326) = ( 0.3910130 -0.3910130 0.3910130), wk = 0.0022124 k( 327) = ( 0.3995133 -0.3995133 0.3995133), wk = 0.0022124 k( 328) = ( 0.4080136 -0.4080136 0.4080136), wk = 0.0022124 k( 329) = ( 0.4165139 -0.4165139 0.4165139), wk = 0.0022124 k( 330) = ( 0.4250142 -0.4250142 0.4250142), wk = 0.0022124 k( 331) = ( 0.4335145 -0.4335145 0.4335145), wk = 0.0022124 k( 332) = ( 0.4420148 -0.4420148 0.4420148), wk = 0.0022124 k( 333) = ( 0.4505150 -0.4505150 0.4505150), wk = 0.0022124 k( 334) = ( 0.4590153 -0.4590153 0.4590153), wk = 0.0022124 k( 335) = ( 0.4675156 -0.4675156 0.4675156), wk = 0.0022124 k( 336) = ( 0.4760159 -0.4760159 0.4760159), wk = 0.0022124 k( 337) = ( 0.4760159 -0.4760159 0.4760159), wk = 0.0022124 k( 338) = ( 0.4766309 -0.4638104 0.4638104), wk = 0.0022124 k( 339) = ( 0.4772459 -0.4516048 0.4516048), wk = 0.0022124 k( 340) = ( 0.4778608 -0.4393993 0.4393993), wk = 0.0022124 k( 341) = ( 0.4784758 -0.4271937 0.4271937), wk = 0.0022124 k( 342) = ( 0.4790908 -0.4149882 0.4149882), wk = 0.0022124 k( 343) = ( 0.4797057 -0.4027827 0.4027827), wk = 0.0022124 k( 344) = ( 0.4803207 -0.3905771 0.3905771), wk = 0.0022124 k( 345) = ( 0.4809357 -0.3783716 0.3783716), wk = 0.0022124 k( 346) = ( 0.4815507 -0.3661661 0.3661661), wk = 0.0022124 k( 347) = ( 0.4821657 -0.3539605 0.3539605), wk = 0.0022124 k( 348) = ( 0.4827806 -0.3417550 0.3417550), wk = 0.0022124 k( 349) = ( 0.4833956 -0.3295495 0.3295495), wk = 0.0022124 k( 350) = ( 0.4840106 -0.3173439 0.3173439), wk = 0.0022124 k( 351) = ( 0.4846256 -0.3051384 0.3051384), wk = 0.0022124 k( 352) = ( 0.4852405 -0.2929329 0.2929329), wk = 0.0022124 k( 353) = ( 0.4858555 -0.2807273 0.2807273), wk = 0.0022124 k( 354) = ( 0.4864705 -0.2685218 0.2685218), wk = 0.0022124 k( 355) = ( 0.4870855 -0.2563163 0.2563162), wk = 0.0022124 k( 356) = ( 0.4877005 -0.2441107 0.2441107), wk = 0.0022124 k( 357) = ( 0.4883154 -0.2319052 0.2319052), wk = 0.0022124 k( 358) = ( 0.4889304 -0.2196996 0.2196996), wk = 0.0022124 k( 359) = ( 0.4895454 -0.2074941 0.2074941), wk = 0.0022124 k( 360) = ( 0.4901604 -0.1952886 0.1952886), wk = 0.0022124 k( 361) = ( 0.4907753 -0.1830830 0.1830830), wk = 0.0022124 k( 362) = ( 0.4913903 -0.1708775 0.1708775), wk = 0.0022124 k( 363) = ( 0.4920053 -0.1586720 0.1586720), wk = 0.0022124 k( 364) = ( 0.4926203 -0.1464664 0.1464664), wk = 0.0022124 k( 365) = ( 0.4932353 -0.1342609 0.1342609), wk = 0.0022124 k( 366) = ( 0.4938502 -0.1220554 0.1220554), wk = 0.0022124 k( 367) = ( 0.4944652 -0.1098498 0.1098498), wk = 0.0022124 k( 368) = ( 0.4950802 -0.0976443 0.0976443), wk = 0.0022124 k( 369) = ( 0.4956952 -0.0854388 0.0854387), wk = 0.0022124 k( 370) = ( 0.4963101 -0.0732332 0.0732332), wk = 0.0022124 k( 371) = ( 0.4969251 -0.0610277 0.0610277), wk = 0.0022124 k( 372) = ( 0.4975401 -0.0488221 0.0488221), wk = 0.0022124 k( 373) = ( 0.4981551 -0.0366166 0.0366166), wk = 0.0022124 k( 374) = ( 0.4987701 -0.0244111 0.0244111), wk = 0.0022124 k( 375) = ( 0.4993850 -0.0122055 0.0122055), wk = 0.0022124 k( 376) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0022124 k( 377) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0022124 k( 378) = ( 0.4943182 0.0056818 0.0056818), wk = 0.0022124 k( 379) = ( 0.4886364 0.0113636 0.0113636), wk = 0.0022124 k( 380) = ( 0.4829545 0.0170454 0.0170454), wk = 0.0022124 k( 381) = ( 0.4772727 0.0227273 0.0227273), wk = 0.0022124 k( 382) = ( 0.4715909 0.0284091 0.0284091), wk = 0.0022124 k( 383) = ( 0.4659091 0.0340909 0.0340909), wk = 0.0022124 k( 384) = ( 0.4602273 0.0397727 0.0397727), wk = 0.0022124 k( 385) = ( 0.4545455 0.0454546 0.0454546), wk = 0.0022124 k( 386) = ( 0.4488636 0.0511364 0.0511364), wk = 0.0022124 k( 387) = ( 0.4431818 0.0568182 0.0568182), wk = 0.0022124 k( 388) = ( 0.4375000 0.0625000 0.0625000), wk = 0.0022124 k( 389) = ( 0.4318182 0.0681818 0.0681818), wk = 0.0022124 k( 390) = ( 0.4261364 0.0738636 0.0738636), wk = 0.0022124 k( 391) = ( 0.4204545 0.0795455 0.0795455), wk = 0.0022124 k( 392) = ( 0.4147727 0.0852273 0.0852273), wk = 0.0022124 k( 393) = ( 0.4090909 0.0909091 0.0909091), wk = 0.0022124 k( 394) = ( 0.4034091 0.0965909 0.0965909), wk = 0.0022124 k( 395) = ( 0.3977273 0.1022727 0.1022727), wk = 0.0022124 k( 396) = ( 0.3920455 0.1079546 0.1079545), wk = 0.0022124 k( 397) = ( 0.3863636 0.1136364 0.1136364), wk = 0.0022124 k( 398) = ( 0.3806818 0.1193182 0.1193182), wk = 0.0022124 k( 399) = ( 0.3750000 0.1250000 0.1250000), wk = 0.0022124 k( 400) = ( 0.3693182 0.1306818 0.1306818), wk = 0.0022124 k( 401) = ( 0.3636364 0.1363636 0.1363636), wk = 0.0022124 k( 402) = ( 0.3579545 0.1420454 0.1420454), wk = 0.0022124 k( 403) = ( 0.3522727 0.1477273 0.1477273), wk = 0.0022124 k( 404) = ( 0.3465909 0.1534091 0.1534091), wk = 0.0022124 k( 405) = ( 0.3409091 0.1590909 0.1590909), wk = 0.0022124 k( 406) = ( 0.3352273 0.1647727 0.1647727), wk = 0.0022124 k( 407) = ( 0.3295455 0.1704546 0.1704545), wk = 0.0022124 k( 408) = ( 0.3238636 0.1761364 0.1761364), wk = 0.0022124 k( 409) = ( 0.3181818 0.1818182 0.1818182), wk = 0.0022124 k( 410) = ( 0.3125000 0.1875000 0.1875000), wk = 0.0022124 k( 411) = ( 0.3068182 0.1931818 0.1931818), wk = 0.0022124 k( 412) = ( 0.3011364 0.1988636 0.1988636), wk = 0.0022124 k( 413) = ( 0.2954545 0.2045455 0.2045454), wk = 0.0022124 k( 414) = ( 0.2897727 0.2102273 0.2102273), wk = 0.0022124 k( 415) = ( 0.2840909 0.2159091 0.2159091), wk = 0.0022124 k( 416) = ( 0.2784091 0.2215909 0.2215909), wk = 0.0022124 k( 417) = ( 0.2727273 0.2272727 0.2272727), wk = 0.0022124 k( 418) = ( 0.2670455 0.2329546 0.2329545), wk = 0.0022124 k( 419) = ( 0.2613636 0.2386364 0.2386364), wk = 0.0022124 k( 420) = ( 0.2556818 0.2443182 0.2443182), wk = 0.0022124 k( 421) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0022124 k( 422) = ( 0.3297835 -0.3297835 0.6222483), wk = 0.0022124 k( 423) = ( 0.3354079 -0.3354079 0.6166239), wk = 0.0022124 k( 424) = ( 0.3410322 -0.3410322 0.6109996), wk = 0.0022124 k( 425) = ( 0.3466565 -0.3466565 0.6053753), wk = 0.0022124 k( 426) = ( 0.3522808 -0.3522808 0.5997510), wk = 0.0022124 k( 427) = ( 0.3579051 -0.3579051 0.5941266), wk = 0.0022124 k( 428) = ( 0.3635295 -0.3635295 0.5885023), wk = 0.0022124 k( 429) = ( 0.3691538 -0.3691538 0.5828780), wk = 0.0022124 k( 430) = ( 0.3747781 -0.3747781 0.5772537), wk = 0.0022124 k( 431) = ( 0.3804024 -0.3804024 0.5716294), wk = 0.0022124 k( 432) = ( 0.3860267 -0.3860267 0.5660050), wk = 0.0022124 k( 433) = ( 0.3916511 -0.3916511 0.5603807), wk = 0.0022124 k( 434) = ( 0.3972754 -0.3972754 0.5547564), wk = 0.0022124 k( 435) = ( 0.4028997 -0.4028997 0.5491321), wk = 0.0022124 k( 436) = ( 0.4085240 -0.4085240 0.5435077), wk = 0.0022124 k( 437) = ( 0.4141483 -0.4141484 0.5378834), wk = 0.0022124 k( 438) = ( 0.4197727 -0.4197727 0.5322591), wk = 0.0022124 k( 439) = ( 0.4253970 -0.4253970 0.5266348), wk = 0.0022124 k( 440) = ( 0.4310213 -0.4310213 0.5210105), wk = 0.0022124 k( 441) = ( 0.4366456 -0.4366456 0.5153861), wk = 0.0022124 k( 442) = ( 0.4422700 -0.4422700 0.5097618), wk = 0.0022124 k( 443) = ( 0.4478943 -0.4478943 0.5041375), wk = 0.0022124 k( 444) = ( 0.4535186 -0.4535186 0.4985132), wk = 0.0022124 k( 445) = ( 0.4591429 -0.4591429 0.4928889), wk = 0.0022124 k( 446) = ( 0.4647673 -0.4647673 0.4872645), wk = 0.0022124 k( 447) = ( 0.4703916 -0.4703916 0.4816402), wk = 0.0022124 k( 448) = ( 0.4760159 -0.4760159 0.4760159), wk = 0.0022124 k( 449) = ( 0.5239841 0.4760159 -0.4760159), wk = 0.0022124 k( 450) = ( 0.5159894 0.4840106 -0.4840106), wk = 0.0022124 k( 451) = ( 0.5079947 0.4920053 -0.4920053), wk = 0.0022124 k( 452) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0022124 Dense grid: 36805 G-vectors FFT dimensions: ( 48, 48, 48) Smooth grid: 27633 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 152, 34) NL pseudopotentials 0.06 Mb ( 76, 56) Each V/rho on FFT grid 0.04 Mb ( 2304) Each G-vector array 0.01 Mb ( 767) G-vector shells 0.01 Mb ( 669) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.32 Mb ( 152, 136) Each subspace H/S matrix 0.28 Mb ( 136, 136) Each matrix 0.06 Mb ( 56, 2, 34) Check: negative/imaginary core charge= -0.000006 0.000000 The potential is recalculated from file : ./NaNO2.save/charge-density.dat Starting wfc are 34 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 39.8 secs Computing kpt #: 2 total cpu time spent up to now is 41.2 secs Computing kpt #: 3 total cpu time spent up to now is 42.1 secs Computing kpt #: 4 total cpu time spent up to now is 43.0 secs Computing kpt #: 5 total cpu time spent up to now is 44.0 secs Computing kpt #: 6 total cpu time spent up to now is 45.1 secs Computing kpt #: 7 total cpu time spent up to now is 46.1 secs Computing kpt #: 8 total cpu time spent up to now is 47.1 secs Computing kpt #: 9 total cpu time spent up to now is 48.1 secs Computing kpt #: 10 total cpu time spent up to now is 49.2 secs Computing kpt #: 11 total cpu time spent up to now is 50.1 secs Computing kpt #: 12 total cpu time spent up to now is 51.0 secs Computing kpt #: 13 total cpu time spent up to now is 52.1 secs Computing kpt #: 14 total cpu time spent up to now is 53.3 secs Computing kpt #: 15 total cpu time spent up to now is 54.6 secs Computing kpt #: 16 total cpu time spent up to now is 55.8 secs Computing kpt #: 17 total cpu time spent up to now is 57.0 secs Computing kpt #: 18 total cpu time spent up to now is 58.2 secs Computing kpt #: 19 total cpu time spent up to now is 59.4 secs Computing kpt #: 20 total cpu time spent up to now is 60.4 secs Computing kpt #: 21 total cpu time spent up to now is 61.5 secs Computing kpt #: 22 total cpu time spent up to now is 62.6 secs Computing kpt #: 23 total cpu time spent up to now is 63.7 secs Computing kpt #: 24 total cpu time spent up to now is 64.7 secs Computing kpt #: 25 total cpu time spent up to now is 65.7 secs Computing kpt #: 26 total cpu time spent up to now is 66.5 secs Computing kpt #: 27 total cpu time spent up to now is 67.3 secs Computing kpt #: 28 total cpu time spent up to now is 68.1 secs Computing kpt #: 29 total cpu time spent up to now is 69.0 secs Computing kpt #: 30 total cpu time spent up to now is 69.8 secs Computing kpt #: 31 total cpu time spent up to now is 70.6 secs Computing kpt #: 32 total cpu time spent up to now is 71.4 secs Computing kpt #: 33 total cpu time spent up to now is 72.1 secs Computing kpt #: 34 total cpu time spent up to now is 72.8 secs Computing kpt #: 35 total cpu time spent up to now is 73.5 secs Computing kpt #: 36 total cpu time spent up to now is 74.2 secs Computing kpt #: 37 total cpu time spent up to now is 75.0 secs Computing kpt #: 38 total cpu time spent up to now is 75.6 secs Computing kpt #: 39 total cpu time spent up to now is 76.4 secs Computing kpt #: 40 total cpu time spent up to now is 77.2 secs Computing kpt #: 41 total cpu time spent up to now is 78.0 secs Computing kpt #: 42 total cpu time spent up to now is 78.6 secs Computing kpt #: 43 total cpu time spent up to now is 79.3 secs Computing kpt #: 44 total cpu time spent up to now is 79.9 secs Computing kpt #: 45 total cpu time spent up to now is 80.7 secs Computing kpt #: 46 total cpu time spent up to now is 81.4 secs Computing kpt #: 47 total cpu time spent up to now is 82.1 secs Computing kpt #: 48 total cpu time spent up to now is 83.1 secs Computing kpt #: 49 total cpu time spent up to now is 83.9 secs Computing kpt #: 50 total cpu time spent up to now is 84.7 secs Computing kpt #: 51 total cpu time spent up to now is 85.5 secs Computing kpt #: 52 total cpu time spent up to now is 86.4 secs Computing kpt #: 53 total cpu time spent up to now is 87.3 secs Computing kpt #: 54 total cpu time spent up to now is 88.0 secs Computing kpt #: 55 total cpu time spent up to now is 88.9 secs Computing kpt #: 56 total cpu time spent up to now is 89.5 secs Computing kpt #: 57 total cpu time spent up to now is 90.4 secs Computing kpt #: 58 total cpu time spent up to now is 91.2 secs Computing kpt #: 59 total cpu time spent up to now is 92.0 secs Computing kpt #: 60 total cpu time spent up to now is 92.8 secs Computing kpt #: 61 total cpu time spent up to now is 93.8 secs Computing kpt #: 62 total cpu time spent up to now is 94.7 secs Computing kpt #: 63 total cpu time spent up to now is 95.5 secs Computing kpt #: 64 total cpu time spent up to now is 96.4 secs Computing kpt #: 65 total cpu time spent up to now is 97.2 secs Computing kpt #: 66 total cpu time spent up to now is 98.0 secs Computing kpt #: 67 total cpu time spent up to now is 98.8 secs Computing kpt #: 68 total cpu time spent up to now is 99.7 secs Computing kpt #: 69 total cpu time spent up to now is 100.6 secs Computing kpt #: 70 total cpu time spent up to now is 101.5 secs Computing kpt #: 71 total cpu time spent up to now is 102.4 secs Computing kpt #: 72 total cpu time spent up to now is 103.2 secs Computing kpt #: 73 total cpu time spent up to now is 104.0 secs Computing kpt #: 74 total cpu time spent up to now is 105.0 secs Computing kpt #: 75 total cpu time spent up to now is 105.8 secs Computing kpt #: 76 total cpu time spent up to now is 106.7 secs Computing kpt #: 77 total cpu time spent up to now is 107.6 secs Computing kpt #: 78 total cpu time spent up to now is 108.4 secs Computing kpt #: 79 total cpu time spent up to now is 109.3 secs Computing kpt #: 80 total cpu time spent up to now is 110.1 secs Computing kpt #: 81 total cpu time spent up to now is 111.0 secs Computing kpt #: 82 total cpu time spent up to now is 111.9 secs Computing kpt #: 83 total cpu time spent up to now is 112.7 secs Computing kpt #: 84 total cpu time spent up to now is 113.6 secs Computing kpt #: 85 total cpu time spent up to now is 114.4 secs Computing kpt #: 86 total cpu time spent up to now is 115.2 secs Computing kpt #: 87 total cpu time spent up to now is 116.1 secs Computing kpt #: 88 total cpu time spent up to now is 116.9 secs Computing kpt #: 89 total cpu time spent up to now is 118.0 secs Computing kpt #: 90 total cpu time spent up to now is 118.8 secs Computing kpt #: 91 total cpu time spent up to now is 119.6 secs Computing kpt #: 92 total cpu time spent up to now is 120.5 secs Computing kpt #: 93 total cpu time spent up to now is 121.3 secs Computing kpt #: 94 total cpu time spent up to now is 122.2 secs Computing kpt #: 95 total cpu time spent up to now is 123.0 secs Computing kpt #: 96 total cpu time spent up to now is 123.9 secs Computing kpt #: 97 total cpu time spent up to now is 124.7 secs Computing kpt #: 98 total cpu time spent up to now is 125.6 secs Computing kpt #: 99 total cpu time spent up to now is 126.2 secs Computing kpt #: 100 total cpu time spent up to now is 126.8 secs Computing kpt #: 101 total cpu time spent up to now is 127.6 secs Computing kpt #: 102 total cpu time spent up to now is 128.4 secs Computing kpt #: 103 total cpu time spent up to now is 129.3 secs Computing kpt #: 104 total cpu time spent up to now is 130.1 secs Computing kpt #: 105 total cpu time spent up to now is 130.9 secs Computing kpt #: 106 total cpu time spent up to now is 131.7 secs Computing kpt #: 107 total cpu time spent up to now is 132.4 secs Computing kpt #: 108 total cpu time spent up to now is 133.2 secs Computing kpt #: 109 total cpu time spent up to now is 133.9 secs Computing kpt #: 110 total cpu time spent up to now is 134.6 secs Computing kpt #: 111 total cpu time spent up to now is 135.3 secs Computing kpt #: 112 total cpu time spent up to now is 136.2 secs Computing kpt #: 113 total cpu time spent up to now is 137.0 secs Computing kpt #: 114 total cpu time spent up to now is 137.8 secs Computing kpt #: 115 total cpu time spent up to now is 138.5 secs Computing kpt #: 116 total cpu time spent up to now is 139.1 secs Computing kpt #: 117 total cpu time spent up to now is 139.8 secs Computing kpt #: 118 total cpu time spent up to now is 140.6 secs Computing kpt #: 119 total cpu time spent up to now is 141.3 secs Computing kpt #: 120 total cpu time spent up to now is 142.0 secs Computing kpt #: 121 total cpu time spent up to now is 142.7 secs Computing kpt #: 122 total cpu time spent up to now is 143.4 secs Computing kpt #: 123 total cpu time spent up to now is 144.0 secs Computing kpt #: 124 total cpu time spent up to now is 144.6 secs Computing kpt #: 125 total cpu time spent up to now is 145.3 secs Computing kpt #: 126 total cpu time spent up to now is 145.9 secs Computing kpt #: 127 total cpu time spent up to now is 146.6 secs Computing kpt #: 128 total cpu time spent up to now is 147.3 secs Computing kpt #: 129 total cpu time spent up to now is 147.9 secs Computing kpt #: 130 total cpu time spent up to now is 148.6 secs Computing kpt #: 131 total cpu time spent up to now is 149.2 secs Computing kpt #: 132 total cpu time spent up to now is 149.9 secs Computing kpt #: 133 total cpu time spent up to now is 150.6 secs Computing kpt #: 134 total cpu time spent up to now is 151.3 secs Computing kpt #: 135 total cpu time spent up to now is 151.9 secs Computing kpt #: 136 total cpu time spent up to now is 152.6 secs Computing kpt #: 137 total cpu time spent up to now is 153.9 secs Computing kpt #: 138 total cpu time spent up to now is 154.7 secs Computing kpt #: 139 total cpu time spent up to now is 155.5 secs Computing kpt #: 140 total cpu time spent up to now is 156.4 secs Computing kpt #: 141 total cpu time spent up to now is 157.3 secs Computing kpt #: 142 total cpu time spent up to now is 158.2 secs Computing kpt #: 143 total cpu time spent up to now is 159.0 secs Computing kpt #: 144 total cpu time spent up to now is 159.8 secs Computing kpt #: 145 total cpu time spent up to now is 160.6 secs Computing kpt #: 146 total cpu time spent up to now is 161.5 secs Computing kpt #: 147 total cpu time spent up to now is 162.3 secs Computing kpt #: 148 total cpu time spent up to now is 163.1 secs Computing kpt #: 149 total cpu time spent up to now is 163.9 secs Computing kpt #: 150 total cpu time spent up to now is 164.6 secs Computing kpt #: 151 total cpu time spent up to now is 165.4 secs Computing kpt #: 152 total cpu time spent up to now is 166.2 secs Computing kpt #: 153 total cpu time spent up to now is 166.9 secs Computing kpt #: 154 total cpu time spent up to now is 167.6 secs Computing kpt #: 155 total cpu time spent up to now is 168.4 secs Computing kpt #: 156 total cpu time spent up to now is 169.1 secs Computing kpt #: 157 total cpu time spent up to now is 169.9 secs Computing kpt #: 158 total cpu time spent up to now is 170.6 secs Computing kpt #: 159 total cpu time spent up to now is 171.4 secs Computing kpt #: 160 total cpu time spent up to now is 172.2 secs Computing kpt #: 161 total cpu time spent up to now is 172.9 secs Computing kpt #: 162 total cpu time spent up to now is 173.5 secs Computing kpt #: 163 total cpu time spent up to now is 174.2 secs Computing kpt #: 164 total cpu time spent up to now is 174.9 secs Computing kpt #: 165 total cpu time spent up to now is 175.6 secs Computing kpt #: 166 total cpu time spent up to now is 176.5 secs Computing kpt #: 167 total cpu time spent up to now is 177.2 secs Computing kpt #: 168 total cpu time spent up to now is 177.9 secs Computing kpt #: 169 total cpu time spent up to now is 178.7 secs Computing kpt #: 170 total cpu time spent up to now is 179.4 secs Computing kpt #: 171 total cpu time spent up to now is 180.1 secs Computing kpt #: 172 total cpu time spent up to now is 180.7 secs Computing kpt #: 173 total cpu time spent up to now is 181.4 secs Computing kpt #: 174 total cpu time spent up to now is 182.1 secs Computing kpt #: 175 total cpu time spent up to now is 182.8 secs Computing kpt #: 176 total cpu time spent up to now is 183.5 secs Computing kpt #: 177 total cpu time spent up to now is 184.3 secs Computing kpt #: 178 total cpu time spent up to now is 185.0 secs Computing kpt #: 179 total cpu time spent up to now is 185.7 secs Computing kpt #: 180 total cpu time spent up to now is 186.4 secs Computing kpt #: 181 total cpu time spent up to now is 187.1 secs Computing kpt #: 182 total cpu time spent up to now is 187.9 secs Computing kpt #: 183 total cpu time spent up to now is 188.7 secs Computing kpt #: 184 total cpu time spent up to now is 189.6 secs Computing kpt #: 185 total cpu time spent up to now is 190.5 secs Computing kpt #: 186 total cpu time spent up to now is 191.4 secs Computing kpt #: 187 total cpu time spent up to now is 192.2 secs Computing kpt #: 188 total cpu time spent up to now is 193.0 secs Computing kpt #: 189 total cpu time spent up to now is 193.7 secs Computing kpt #: 190 total cpu time spent up to now is 194.7 secs Computing kpt #: 191 total cpu time spent up to now is 195.6 secs Computing kpt #: 192 total cpu time spent up to now is 196.5 secs Computing kpt #: 193 total cpu time spent up to now is 197.8 secs Computing kpt #: 194 total cpu time spent up to now is 198.5 secs Computing kpt #: 195 total cpu time spent up to now is 199.3 secs Computing kpt #: 196 total cpu time spent up to now is 200.2 secs Computing kpt #: 197 total cpu time spent up to now is 201.0 secs Computing kpt #: 198 total cpu time spent up to now is 201.9 secs Computing kpt #: 199 total cpu time spent up to now is 202.8 secs Computing kpt #: 200 total cpu time spent up to now is 203.5 secs Computing kpt #: 201 total cpu time spent up to now is 204.4 secs Computing kpt #: 202 total cpu time spent up to now is 205.2 secs Computing kpt #: 203 total cpu time spent up to now is 206.1 secs Computing kpt #: 204 total cpu time spent up to now is 206.9 secs Computing kpt #: 205 total cpu time spent up to now is 207.7 secs Computing kpt #: 206 total cpu time spent up to now is 208.5 secs Computing kpt #: 207 total cpu time spent up to now is 209.2 secs Computing kpt #: 208 total cpu time spent up to now is 209.9 secs Computing kpt #: 209 total cpu time spent up to now is 210.7 secs Computing kpt #: 210 total cpu time spent up to now is 211.5 secs Computing kpt #: 211 total cpu time spent up to now is 212.2 secs Computing kpt #: 212 total cpu time spent up to now is 212.9 secs Computing kpt #: 213 total cpu time spent up to now is 213.7 secs Computing kpt #: 214 total cpu time spent up to now is 214.4 secs Computing kpt #: 215 total cpu time spent up to now is 215.0 secs Computing kpt #: 216 total cpu time spent up to now is 215.6 secs Computing kpt #: 217 total cpu time spent up to now is 216.3 secs Computing kpt #: 218 total cpu time spent up to now is 216.9 secs Computing kpt #: 219 total cpu time spent up to now is 217.5 secs Computing kpt #: 220 total cpu time spent up to now is 218.1 secs Computing kpt #: 221 total cpu time spent up to now is 218.8 secs Computing kpt #: 222 total cpu time spent up to now is 219.4 secs Computing kpt #: 223 total cpu time spent up to now is 220.0 secs Computing kpt #: 224 total cpu time spent up to now is 220.6 secs Computing kpt #: 225 total cpu time spent up to now is 221.2 secs Computing kpt #: 226 total cpu time spent up to now is 221.9 secs Computing kpt #: 227 total cpu time spent up to now is 222.5 secs Computing kpt #: 228 total cpu time spent up to now is 223.1 secs Computing kpt #: 229 total cpu time spent up to now is 223.7 secs Computing kpt #: 230 total cpu time spent up to now is 224.3 secs Computing kpt #: 231 total cpu time spent up to now is 225.0 secs Computing kpt #: 232 total cpu time spent up to now is 225.7 secs Computing kpt #: 233 total cpu time spent up to now is 226.3 secs Computing kpt #: 234 total cpu time spent up to now is 227.0 secs Computing kpt #: 235 total cpu time spent up to now is 227.6 secs Computing kpt #: 236 total cpu time spent up to now is 228.2 secs Computing kpt #: 237 total cpu time spent up to now is 228.8 secs Computing kpt #: 238 total cpu time spent up to now is 229.4 secs Computing kpt #: 239 total cpu time spent up to now is 230.0 secs Computing kpt #: 240 total cpu time spent up to now is 230.6 secs Computing kpt #: 241 total cpu time spent up to now is 231.3 secs Computing kpt #: 242 total cpu time spent up to now is 231.9 secs Computing kpt #: 243 total cpu time spent up to now is 232.5 secs Computing kpt #: 244 total cpu time spent up to now is 233.1 secs Computing kpt #: 245 total cpu time spent up to now is 233.8 secs Computing kpt #: 246 total cpu time spent up to now is 234.4 secs Computing kpt #: 247 total cpu time spent up to now is 235.0 secs Computing kpt #: 248 total cpu time spent up to now is 235.6 secs Computing kpt #: 249 total cpu time spent up to now is 236.2 secs Computing kpt #: 250 total cpu time spent up to now is 236.9 secs Computing kpt #: 251 total cpu time spent up to now is 237.6 secs Computing kpt #: 252 total cpu time spent up to now is 238.4 secs Computing kpt #: 253 total cpu time spent up to now is 239.0 secs Computing kpt #: 254 total cpu time spent up to now is 239.7 secs Computing kpt #: 255 total cpu time spent up to now is 240.3 secs Computing kpt #: 256 total cpu time spent up to now is 241.0 secs Computing kpt #: 257 total cpu time spent up to now is 241.6 secs Computing kpt #: 258 total cpu time spent up to now is 242.3 secs Computing kpt #: 259 total cpu time spent up to now is 243.1 secs Computing kpt #: 260 total cpu time spent up to now is 243.9 secs Computing kpt #: 261 total cpu time spent up to now is 244.7 secs Computing kpt #: 262 total cpu time spent up to now is 245.4 secs Computing kpt #: 263 total cpu time spent up to now is 246.1 secs Computing kpt #: 264 total cpu time spent up to now is 246.8 secs Computing kpt #: 265 total cpu time spent up to now is 247.6 secs Computing kpt #: 266 total cpu time spent up to now is 248.4 secs Computing kpt #: 267 total cpu time spent up to now is 249.3 secs Computing kpt #: 268 total cpu time spent up to now is 250.3 secs Computing kpt #: 269 total cpu time spent up to now is 251.5 secs Computing kpt #: 270 total cpu time spent up to now is 253.1 secs Computing kpt #: 271 total cpu time spent up to now is 254.2 secs Computing kpt #: 272 total cpu time spent up to now is 255.3 secs Computing kpt #: 273 total cpu time spent up to now is 256.5 secs Computing kpt #: 274 total cpu time spent up to now is 257.5 secs Computing kpt #: 275 total cpu time spent up to now is 258.6 secs Computing kpt #: 276 total cpu time spent up to now is 259.5 secs Computing kpt #: 277 total cpu time spent up to now is 260.4 secs Computing kpt #: 278 total cpu time spent up to now is 261.3 secs Computing kpt #: 279 total cpu time spent up to now is 262.2 secs Computing kpt #: 280 total cpu time spent up to now is 263.1 secs Computing kpt #: 281 total cpu time spent up to now is 264.0 secs Computing kpt #: 282 total cpu time spent up to now is 264.8 secs Computing kpt #: 283 total cpu time spent up to now is 265.7 secs Computing kpt #: 284 total cpu time spent up to now is 266.5 secs Computing kpt #: 285 total cpu time spent up to now is 267.3 secs Computing kpt #: 286 total cpu time spent up to now is 268.1 secs Computing kpt #: 287 total cpu time spent up to now is 268.8 secs Computing kpt #: 288 total cpu time spent up to now is 269.6 secs Computing kpt #: 289 total cpu time spent up to now is 270.3 secs Computing kpt #: 290 total cpu time spent up to now is 271.1 secs Computing kpt #: 291 total cpu time spent up to now is 271.8 secs Computing kpt #: 292 total cpu time spent up to now is 272.6 secs Computing kpt #: 293 total cpu time spent up to now is 273.4 secs Computing kpt #: 294 total cpu time spent up to now is 274.2 secs Computing kpt #: 295 total cpu time spent up to now is 274.9 secs Computing kpt #: 296 total cpu time spent up to now is 275.7 secs Computing kpt #: 297 total cpu time spent up to now is 276.4 secs Computing kpt #: 298 total cpu time spent up to now is 277.2 secs Computing kpt #: 299 total cpu time spent up to now is 278.1 secs Computing kpt #: 300 total cpu time spent up to now is 278.8 secs Computing kpt #: 301 total cpu time spent up to now is 279.8 secs Computing kpt #: 302 total cpu time spent up to now is 280.5 secs Computing kpt #: 303 total cpu time spent up to now is 281.3 secs Computing kpt #: 304 total cpu time spent up to now is 282.1 secs Computing kpt #: 305 total cpu time spent up to now is 283.0 secs Computing kpt #: 306 total cpu time spent up to now is 283.7 secs Computing kpt #: 307 total cpu time spent up to now is 284.6 secs Computing kpt #: 308 total cpu time spent up to now is 285.4 secs Computing kpt #: 309 total cpu time spent up to now is 286.3 secs Computing kpt #: 310 total cpu time spent up to now is 287.2 secs Computing kpt #: 311 total cpu time spent up to now is 287.8 secs Computing kpt #: 312 total cpu time spent up to now is 288.6 secs Computing kpt #: 313 total cpu time spent up to now is 289.5 secs Computing kpt #: 314 total cpu time spent up to now is 290.3 secs Computing kpt #: 315 total cpu time spent up to now is 290.9 secs Computing kpt #: 316 total cpu time spent up to now is 291.7 secs Computing kpt #: 317 total cpu time spent up to now is 292.6 secs Computing kpt #: 318 total cpu time spent up to now is 293.3 secs Computing kpt #: 319 total cpu time spent up to now is 294.0 secs Computing kpt #: 320 total cpu time spent up to now is 294.6 secs Computing kpt #: 321 total cpu time spent up to now is 295.4 secs Computing kpt #: 322 total cpu time spent up to now is 296.2 secs Computing kpt #: 323 total cpu time spent up to now is 297.0 secs Computing kpt #: 324 total cpu time spent up to now is 298.4 secs Computing kpt #: 325 total cpu time spent up to now is 299.6 secs Computing kpt #: 326 total cpu time spent up to now is 300.9 secs Computing kpt #: 327 total cpu time spent up to now is 302.1 secs Computing kpt #: 328 total cpu time spent up to now is 303.2 secs Computing kpt #: 329 total cpu time spent up to now is 304.1 secs Computing kpt #: 330 total cpu time spent up to now is 304.8 secs Computing kpt #: 331 total cpu time spent up to now is 305.6 secs Computing kpt #: 332 total cpu time spent up to now is 306.2 secs Computing kpt #: 333 total cpu time spent up to now is 306.9 secs Computing kpt #: 334 total cpu time spent up to now is 307.6 secs Computing kpt #: 335 total cpu time spent up to now is 308.2 secs Computing kpt #: 336 total cpu time spent up to now is 308.9 secs Computing kpt #: 337 total cpu time spent up to now is 309.5 secs Computing kpt #: 338 total cpu time spent up to now is 310.3 secs Computing kpt #: 339 total cpu time spent up to now is 311.0 secs Computing kpt #: 340 total cpu time spent up to now is 311.6 secs Computing kpt #: 341 total cpu time spent up to now is 312.3 secs Computing kpt #: 342 total cpu time spent up to now is 313.1 secs Computing kpt #: 343 total cpu time spent up to now is 314.0 secs Computing kpt #: 344 total cpu time spent up to now is 314.9 secs Computing kpt #: 345 total cpu time spent up to now is 315.7 secs Computing kpt #: 346 total cpu time spent up to now is 316.7 secs Computing kpt #: 347 total cpu time spent up to now is 317.5 secs Computing kpt #: 348 total cpu time spent up to now is 318.3 secs Computing kpt #: 349 total cpu time spent up to now is 319.1 secs Computing kpt #: 350 total cpu time spent up to now is 320.0 secs Computing kpt #: 351 total cpu time spent up to now is 320.9 secs Computing kpt #: 352 total cpu time spent up to now is 321.8 secs Computing kpt #: 353 total cpu time spent up to now is 322.7 secs Computing kpt #: 354 total cpu time spent up to now is 323.5 secs Computing kpt #: 355 total cpu time spent up to now is 324.4 secs Computing kpt #: 356 total cpu time spent up to now is 325.5 secs Computing kpt #: 357 total cpu time spent up to now is 326.1 secs Computing kpt #: 358 total cpu time spent up to now is 326.9 secs Computing kpt #: 359 total cpu time spent up to now is 327.8 secs Computing kpt #: 360 total cpu time spent up to now is 328.6 secs Computing kpt #: 361 total cpu time spent up to now is 329.3 secs Computing kpt #: 362 total cpu time spent up to now is 330.0 secs Computing kpt #: 363 total cpu time spent up to now is 330.7 secs Computing kpt #: 364 total cpu time spent up to now is 331.5 secs Computing kpt #: 365 total cpu time spent up to now is 332.2 secs Computing kpt #: 366 total cpu time spent up to now is 332.9 secs Computing kpt #: 367 total cpu time spent up to now is 333.6 secs Computing kpt #: 368 total cpu time spent up to now is 334.3 secs Computing kpt #: 369 total cpu time spent up to now is 335.2 secs Computing kpt #: 370 total cpu time spent up to now is 335.9 secs Computing kpt #: 371 total cpu time spent up to now is 336.6 secs Computing kpt #: 372 total cpu time spent up to now is 337.4 secs Computing kpt #: 373 total cpu time spent up to now is 338.0 secs Computing kpt #: 374 total cpu time spent up to now is 338.8 secs Computing kpt #: 375 total cpu time spent up to now is 339.7 secs Computing kpt #: 376 total cpu time spent up to now is 340.5 secs Computing kpt #: 377 total cpu time spent up to now is 341.2 secs Computing kpt #: 378 total cpu time spent up to now is 341.9 secs Computing kpt #: 379 total cpu time spent up to now is 342.5 secs Computing kpt #: 380 total cpu time spent up to now is 343.2 secs Computing kpt #: 381 total cpu time spent up to now is 344.0 secs Computing kpt #: 382 total cpu time spent up to now is 344.8 secs Computing kpt #: 383 total cpu time spent up to now is 345.4 secs Computing kpt #: 384 total cpu time spent up to now is 346.2 secs Computing kpt #: 385 total cpu time spent up to now is 347.0 secs Computing kpt #: 386 total cpu time spent up to now is 347.9 secs Computing kpt #: 387 total cpu time spent up to now is 348.7 secs Computing kpt #: 388 total cpu time spent up to now is 349.4 secs Computing kpt #: 389 total cpu time spent up to now is 350.3 secs Computing kpt #: 390 total cpu time spent up to now is 351.0 secs Computing kpt #: 391 total cpu time spent up to now is 352.0 secs Computing kpt #: 392 total cpu time spent up to now is 352.8 secs Computing kpt #: 393 total cpu time spent up to now is 353.8 secs Computing kpt #: 394 total cpu time spent up to now is 354.7 secs Computing kpt #: 395 total cpu time spent up to now is 355.7 secs Computing kpt #: 396 total cpu time spent up to now is 356.8 secs Computing kpt #: 397 total cpu time spent up to now is 357.9 secs Computing kpt #: 398 total cpu time spent up to now is 358.9 secs Computing kpt #: 399 total cpu time spent up to now is 359.8 secs Computing kpt #: 400 total cpu time spent up to now is 360.8 secs Computing kpt #: 401 total cpu time spent up to now is 361.8 secs Computing kpt #: 402 total cpu time spent up to now is 362.8 secs Computing kpt #: 403 total cpu time spent up to now is 363.7 secs Computing kpt #: 404 total cpu time spent up to now is 364.6 secs Computing kpt #: 405 total cpu time spent up to now is 365.5 secs Computing kpt #: 406 total cpu time spent up to now is 366.4 secs Computing kpt #: 407 total cpu time spent up to now is 367.2 secs Computing kpt #: 408 total cpu time spent up to now is 368.0 secs Computing kpt #: 409 total cpu time spent up to now is 368.8 secs Computing kpt #: 410 total cpu time spent up to now is 369.6 secs Computing kpt #: 411 total cpu time spent up to now is 370.3 secs Computing kpt #: 412 total cpu time spent up to now is 371.0 secs Computing kpt #: 413 total cpu time spent up to now is 371.7 secs Computing kpt #: 414 total cpu time spent up to now is 372.3 secs Computing kpt #: 415 total cpu time spent up to now is 372.9 secs Computing kpt #: 416 total cpu time spent up to now is 373.6 secs Computing kpt #: 417 total cpu time spent up to now is 374.3 secs Computing kpt #: 418 total cpu time spent up to now is 375.0 secs Computing kpt #: 419 total cpu time spent up to now is 375.9 secs Computing kpt #: 420 total cpu time spent up to now is 376.5 secs Computing kpt #: 421 total cpu time spent up to now is 377.2 secs Computing kpt #: 422 total cpu time spent up to now is 378.0 secs Computing kpt #: 423 total cpu time spent up to now is 378.8 secs Computing kpt #: 424 total cpu time spent up to now is 379.6 secs Computing kpt #: 425 total cpu time spent up to now is 380.5 secs Computing kpt #: 426 total cpu time spent up to now is 381.3 secs Computing kpt #: 427 total cpu time spent up to now is 382.1 secs Computing kpt #: 428 total cpu time spent up to now is 382.8 secs Computing kpt #: 429 total cpu time spent up to now is 383.6 secs Computing kpt #: 430 total cpu time spent up to now is 384.4 secs Computing kpt #: 431 total cpu time spent up to now is 385.1 secs Computing kpt #: 432 total cpu time spent up to now is 385.9 secs Computing kpt #: 433 total cpu time spent up to now is 386.7 secs Computing kpt #: 434 total cpu time spent up to now is 387.6 secs Computing kpt #: 435 total cpu time spent up to now is 388.4 secs Computing kpt #: 436 total cpu time spent up to now is 389.1 secs Computing kpt #: 437 total cpu time spent up to now is 389.9 secs Computing kpt #: 438 total cpu time spent up to now is 390.6 secs Computing kpt #: 439 total cpu time spent up to now is 391.3 secs Computing kpt #: 440 total cpu time spent up to now is 392.0 secs Computing kpt #: 441 total cpu time spent up to now is 392.7 secs Computing kpt #: 442 total cpu time spent up to now is 393.6 secs Computing kpt #: 443 total cpu time spent up to now is 394.3 secs Computing kpt #: 444 total cpu time spent up to now is 394.9 secs Computing kpt #: 445 total cpu time spent up to now is 395.6 secs Computing kpt #: 446 total cpu time spent up to now is 396.2 secs Computing kpt #: 447 total cpu time spent up to now is 396.9 secs Computing kpt #: 448 total cpu time spent up to now is 397.6 secs Computing kpt #: 449 total cpu time spent up to now is 398.3 secs Computing kpt #: 450 total cpu time spent up to now is 399.1 secs Computing kpt #: 451 total cpu time spent up to now is 400.2 secs Computing kpt #: 452 total cpu time spent up to now is 400.8 secs ethr = 3.85E-11, avg # of iterations = 27.9 total cpu time spent up to now is 401.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3473 PWs) bands (ev): -47.8766 -47.8766 -22.7390 -22.7390 -19.9241 -19.9241 -19.7562 -19.7562 -19.7296 -19.7296 -17.9837 -17.9837 -7.8758 -7.8758 -4.8939 -4.8939 -4.4757 -4.4757 -4.3609 -4.3609 -0.2900 -0.2900 0.5839 0.5839 1.3877 1.3877 4.8286 4.8286 7.6867 7.6867 12.4661 12.4661 13.7865 13.7865 k =-0.0057 0.0050 0.0112 ( 3471 PWs) bands (ev): -47.8766 -47.8766 -22.7390 -22.7390 -19.9242 -19.9240 -19.7562 -19.7561 -19.7298 -19.7295 -17.9838 -17.9838 -7.8758 -7.8757 -4.8938 -4.8937 -4.4781 -4.4757 -4.3616 -4.3591 -0.2904 -0.2904 0.5840 0.5841 1.3881 1.3882 4.8279 4.8280 7.6884 7.6886 12.4660 12.4661 13.7885 13.7885 k =-0.0114 0.0099 0.0223 ( 3469 PWs) bands (ev): -47.8766 -47.8766 -22.7389 -22.7388 -19.9243 -19.9239 -19.7562 -19.7560 -19.7299 -19.7293 -17.9839 -17.9839 -7.8757 -7.8757 -4.8933 -4.8933 -4.4827 -4.4781 -4.3612 -4.3564 -0.2917 -0.2916 0.5845 0.5846 1.3893 1.3895 4.8257 4.8260 7.6935 7.6939 12.4658 12.4659 13.7943 13.7943 k =-0.0171 0.0149 0.0335 ( 3469 PWs) bands (ev): -47.8766 -47.8766 -22.7386 -22.7386 -19.9243 -19.9238 -19.7563 -19.7559 -19.7301 -19.7292 -17.9841 -17.9841 -7.8756 -7.8755 -4.8927 -4.8927 -4.4892 -4.4828 -4.3598 -4.3531 -0.2939 -0.2937 0.5852 0.5854 1.3914 1.3917 4.8221 4.8225 7.7021 7.7027 12.4653 12.4655 13.8039 13.8039 k =-0.0228 0.0199 0.0447 ( 3469 PWs) bands (ev): -47.8766 -47.8766 -22.7383 -22.7383 -19.9244 -19.9237 -19.7563 -19.7557 -19.7304 -19.7292 -17.9843 -17.9843 -7.8754 -7.8753 -4.8917 -4.8917 -4.4975 -4.4896 -4.3576 -4.3493 -0.2969 -0.2967 0.5863 0.5865 1.3944 1.3947 4.8172 4.8177 7.7142 7.7149 12.4647 12.4649 13.8173 13.8174 k =-0.0285 0.0248 0.0558 ( 3465 PWs) bands (ev): -47.8765 -47.8765 -22.7379 -22.7378 -19.9244 -19.9236 -19.7562 -19.7556 -19.7306 -19.7291 -17.9847 -17.9847 -7.8752 -7.8751 -4.8906 -4.8905 -4.5073 -4.4983 -4.3547 -4.3453 -0.3006 -0.3004 0.5876 0.5880 1.3981 1.3986 4.8110 4.8116 7.7296 7.7305 12.4639 12.4641 13.8344 13.8344 k =-0.0342 0.0298 0.0670 ( 3469 PWs) bands (ev): -47.8765 -47.8765 -22.7374 -22.7373 -19.9245 -19.9234 -19.7562 -19.7554 -19.7309 -19.7291 -17.9851 -17.9851 -7.8749 -7.8749 -4.8891 -4.8891 -4.5185 -4.5087 -4.3514 -4.3412 -0.3052 -0.3049 0.5893 0.5897 1.4026 1.4032 4.8035 4.8042 7.7484 7.7494 12.4628 12.4631 13.8549 13.8550 k =-0.0399 0.0348 0.0782 ( 3469 PWs) bands (ev): -47.8765 -47.8765 -22.7368 -22.7367 -19.9245 -19.9233 -19.7562 -19.7553 -19.7312 -19.7291 -17.9856 -17.9856 -7.8746 -7.8745 -4.8874 -4.8874 -4.5308 -4.5205 -4.3478 -4.3370 -0.3105 -0.3101 0.5913 0.5917 1.4079 1.4085 4.7948 4.7957 7.7705 7.7717 12.4614 12.4618 13.8788 13.8789 k =-0.0456 0.0397 0.0893 ( 3467 PWs) bands (ev): -47.8765 -47.8765 -22.7361 -22.7360 -19.9245 -19.9231 -19.7561 -19.7551 -19.7314 -19.7290 -17.9861 -17.9861 -7.8743 -7.8742 -4.8855 -4.8855 -4.5441 -4.5335 -4.3441 -4.3328 -0.3164 -0.3161 0.5935 0.5941 1.4139 1.4146 4.7850 4.7860 7.7959 7.7972 12.4597 12.4601 13.9058 13.9059 k =-0.0514 0.0447 0.1005 ( 3471 PWs) bands (ev): -47.8765 -47.8765 -22.7353 -22.7353 -19.9245 -19.9230 -19.7560 -19.7549 -19.7318 -19.7291 -17.9868 -17.9868 -7.8739 -7.8739 -4.8833 -4.8833 -4.5585 -4.5477 -4.3404 -4.3288 -0.3231 -0.3227 0.5961 0.5967 1.4206 1.4214 4.7741 4.7752 7.8244 7.8258 12.4576 12.4580 13.9354 13.9355 k =-0.0571 0.0497 0.1117 ( 3467 PWs) bands (ev): -47.8764 -47.8764 -22.7345 -22.7344 -19.9245 -19.9228 -19.7559 -19.7547 -19.7321 -19.7291 -17.9875 -17.9875 -7.8736 -7.8735 -4.8809 -4.8809 -4.5737 -4.5628 -4.3366 -4.3249 -0.3305 -0.3300 0.5989 0.5996 1.4280 1.4288 4.7623 4.7635 7.8560 7.8576 12.4550 12.4555 13.9670 13.9672 k =-0.0628 0.0546 0.1228 ( 3467 PWs) bands (ev): -47.8764 -47.8764 -22.7336 -22.7335 -19.9245 -19.9227 -19.7558 -19.7545 -19.7324 -19.7292 -17.9882 -17.9882 -7.8732 -7.8731 -4.8782 -4.8782 -4.5898 -4.5789 -4.3329 -4.3211 -0.3383 -0.3378 0.6021 0.6028 1.4359 1.4368 4.7496 4.7509 7.8907 7.8923 12.4519 12.4525 14.0000 14.0002 k =-0.0685 0.0596 0.1340 ( 3465 PWs) bands (ev): -47.8764 -47.8764 -22.7325 -22.7325 -19.9245 -19.9225 -19.7557 -19.7542 -19.7327 -19.7292 -17.9890 -17.9890 -7.8728 -7.8728 -4.8754 -4.8753 -4.6065 -4.5957 -4.3292 -4.3175 -0.3468 -0.3462 0.6055 0.6063 1.4444 1.4454 4.7362 4.7376 7.9283 7.9300 12.4483 12.4490 14.0331 14.0333 k =-0.0742 0.0646 0.1452 ( 3461 PWs) bands (ev): -47.8763 -47.8763 -22.7315 -22.7314 -19.9245 -19.9223 -19.7555 -19.7540 -19.7330 -19.7293 -17.9899 -17.9899 -7.8725 -7.8724 -4.8723 -4.8722 -4.6239 -4.6132 -4.3257 -4.3140 -0.3557 -0.3551 0.6093 0.6101 1.4534 1.4544 4.7221 4.7235 7.9687 7.9705 12.4440 12.4447 14.0644 14.0647 k =-0.0799 0.0696 0.1563 ( 3457 PWs) bands (ev): -47.8763 -47.8763 -22.7303 -22.7302 -19.9245 -19.9221 -19.7554 -19.7538 -19.7333 -19.7294 -17.9909 -17.9909 -7.8721 -7.8721 -4.8690 -4.8689 -4.6418 -4.6313 -4.3223 -4.3107 -0.3650 -0.3644 0.6133 0.6142 1.4629 1.4639 4.7074 4.7089 8.0118 8.0137 12.4390 12.4398 14.0910 14.0913 k =-0.0856 0.0745 0.1675 ( 3463 PWs) bands (ev): -47.8763 -47.8763 -22.7291 -22.7290 -19.9246 -19.9220 -19.7553 -19.7536 -19.7337 -19.7295 -17.9919 -17.9919 -7.8719 -7.8718 -4.8655 -4.8655 -4.6603 -4.6499 -4.3190 -4.3075 -0.3748 -0.3740 0.6175 0.6185 1.4727 1.4738 4.6922 4.6938 8.0576 8.0596 12.4332 12.4340 14.1085 14.1088 k =-0.0913 0.0795 0.1787 ( 3463 PWs) bands (ev): -47.8762 -47.8762 -22.7279 -22.7278 -19.9246 -19.9218 -19.7551 -19.7534 -19.7340 -19.7296 -17.9929 -17.9929 -7.8716 -7.8716 -4.8618 -4.8618 -4.6792 -4.6690 -4.3158 -4.3044 -0.3848 -0.3840 0.6221 0.6231 1.4829 1.4841 4.6767 4.6783 8.1060 8.1080 12.4266 12.4274 14.1109 14.1114 k =-0.0970 0.0845 0.1898 ( 3467 PWs) bands (ev): -47.8762 -47.8762 -22.7265 -22.7264 -19.9246 -19.9217 -19.7550 -19.7533 -19.7343 -19.7297 -17.9941 -17.9941 -7.8715 -7.8714 -4.8580 -4.8579 -4.6984 -4.6884 -4.3127 -4.3016 -0.3950 -0.3942 0.6269 0.6279 1.4934 1.4946 4.6609 4.6626 8.1567 8.1588 12.4189 12.4199 14.0930 14.0935 k =-0.1027 0.0894 0.2010 ( 3469 PWs) bands (ev): -47.8762 -47.8762 -22.7252 -22.7251 -19.9247 -19.9216 -19.7549 -19.7531 -19.7346 -19.7299 -17.9952 -17.9952 -7.8714 -7.8713 -4.8540 -4.8539 -4.7178 -4.7081 -4.3098 -4.2988 -0.4055 -0.4047 0.6319 0.6330 1.5042 1.5054 4.6451 4.6468 8.2098 8.2120 12.4103 12.4113 14.0529 14.0536 k =-0.1084 0.0944 0.2121 ( 3469 PWs) bands (ev): -47.8761 -47.8761 -22.7237 -22.7236 -19.9247 -19.9214 -19.7548 -19.7530 -19.7349 -19.7300 -17.9964 -17.9964 -7.8714 -7.8713 -4.8498 -4.8497 -4.7374 -4.7279 -4.3070 -4.2962 -0.4160 -0.4152 0.6372 0.6384 1.5152 1.5164 4.6292 4.6309 8.2652 8.2673 12.4006 12.4017 13.9939 13.9947 k =-0.1141 0.0994 0.2233 ( 3475 PWs) bands (ev): -47.8761 -47.8761 -22.7223 -22.7222 -19.9248 -19.9213 -19.7547 -19.7529 -19.7352 -19.7301 -17.9977 -17.9977 -7.8715 -7.8714 -4.8455 -4.8454 -4.7571 -4.7479 -4.3044 -4.2937 -0.4267 -0.4257 0.6428 0.6440 1.5263 1.5275 4.6134 4.6151 8.3226 8.3248 12.3897 12.3909 13.9214 13.9225 k =-0.1198 0.1043 0.2345 ( 3469 PWs) bands (ev): -47.8761 -47.8761 -22.7208 -22.7206 -19.9248 -19.9212 -19.7545 -19.7528 -19.7354 -19.7302 -17.9990 -17.9989 -7.8717 -7.8716 -4.8411 -4.8410 -4.7767 -4.7678 -4.3018 -4.2914 -0.4372 -0.4363 0.6485 0.6498 1.5375 1.5387 4.5977 4.5995 8.3821 8.3843 12.3776 12.3788 13.8405 13.8418 k =-0.1255 0.1093 0.2456 ( 3467 PWs) bands (ev): -47.8760 -47.8760 -22.7192 -22.7191 -19.9248 -19.9211 -19.7544 -19.7527 -19.7357 -19.7303 -18.0003 -18.0003 -7.8720 -7.8720 -4.8365 -4.8364 -4.7962 -4.7876 -4.2994 -4.2892 -0.4477 -0.4467 0.6546 0.6559 1.5487 1.5500 4.5823 4.5842 8.4435 8.4456 12.3642 12.3655 13.7545 13.7559 k =-0.1312 0.1143 0.2568 ( 3463 PWs) bands (ev): -47.8760 -47.8760 -22.7177 -22.7175 -19.9249 -19.9210 -19.7543 -19.7526 -19.7358 -19.7304 -18.0016 -18.0016 -7.8725 -7.8724 -4.8321 -4.8317 -4.8154 -4.8072 -4.2972 -4.2872 -0.4581 -0.4570 0.6608 0.6621 1.5600 1.5612 4.5674 4.5692 8.5066 8.5087 12.3495 12.3509 13.6656 13.6673 k =-0.1369 0.1192 0.2680 ( 3473 PWs) bands (ev): -47.8759 -47.8759 -22.7161 -22.7159 -19.9250 -19.9209 -19.7542 -19.7527 -19.7361 -19.7306 -18.0030 -18.0030 -7.8731 -7.8731 -4.8360 -4.8271 -4.8265 -4.8259 -4.2951 -4.2853 -0.4682 -0.4671 0.6672 0.6686 1.5712 1.5724 4.5528 4.5547 8.5714 8.5735 12.3333 12.3349 13.5754 13.5773 k =-0.1426 0.1242 0.2791 ( 3469 PWs) bands (ev): -47.8759 -47.8759 -22.7145 -22.7143 -19.9251 -19.9209 -19.7541 -19.7527 -19.7362 -19.7307 -18.0044 -18.0044 -7.8739 -7.8739 -4.8541 -4.8457 -4.8220 -4.8217 -4.2932 -4.2836 -0.4781 -0.4769 0.6738 0.6753 1.5824 1.5835 4.5389 4.5408 8.6378 8.6399 12.3158 12.3174 13.4847 13.4868 k =-0.1484 0.1292 0.2903 ( 3469 PWs) bands (ev): -47.8759 -47.8759 -22.7129 -22.7127 -19.9252 -19.9208 -19.7541 -19.7527 -19.7364 -19.7308 -18.0058 -18.0058 -7.8749 -7.8749 -4.8725 -4.8644 -4.8171 -4.8168 -4.2915 -4.2821 -0.4876 -0.4864 0.6807 0.6821 1.5934 1.5946 4.5256 4.5275 8.7056 8.7076 12.2968 12.2986 13.3943 13.3966 k =-0.1541 0.1341 0.3015 ( 3465 PWs) bands (ev): -47.8758 -47.8758 -22.7112 -22.7111 -19.9252 -19.9208 -19.7540 -19.7528 -19.7365 -19.7309 -18.0072 -18.0072 -7.8761 -7.8761 -4.8904 -4.8825 -4.8120 -4.8119 -4.2899 -4.2807 -0.4967 -0.4955 0.6877 0.6892 1.6043 1.6054 4.5130 4.5149 8.7747 8.7767 12.2764 12.2783 13.3046 13.3071 k =-0.1598 0.1391 0.3126 ( 3457 PWs) bands (ev): -47.8758 -47.8758 -22.7096 -22.7094 -19.9253 -19.9207 -19.7540 -19.7528 -19.7366 -19.7309 -18.0086 -18.0086 -7.8775 -7.8774 -4.9077 -4.9001 -4.8070 -4.8068 -4.2885 -4.2795 -0.5053 -0.5041 0.6949 0.6965 1.6150 1.6161 4.5013 4.5032 8.8450 8.8470 12.2546 12.2565 13.2158 13.2185 k =-0.1655 0.1441 0.3238 ( 3449 PWs) bands (ev): -47.8757 -47.8757 -22.7080 -22.7078 -19.9254 -19.9207 -19.7540 -19.7530 -19.7366 -19.7310 -18.0101 -18.0101 -7.8791 -7.8790 -4.9244 -4.9170 -4.8018 -4.8017 -4.2873 -4.2785 -0.5135 -0.5122 0.7022 0.7038 1.6256 1.6266 4.4904 4.4923 8.9164 8.9183 12.2313 12.2334 13.1283 13.1312 k =-0.1712 0.1490 0.3350 ( 3441 PWs) bands (ev): -47.8757 -47.8757 -22.7063 -22.7062 -19.9255 -19.9207 -19.7540 -19.7531 -19.7366 -19.7310 -18.0115 -18.0115 -7.8809 -7.8808 -4.9405 -4.9333 -4.7967 -4.7965 -4.2863 -4.2777 -0.5211 -0.5197 0.7097 0.7114 1.6358 1.6368 4.4805 4.4824 8.9888 8.9906 12.2067 12.2088 13.0421 13.0451 k =-0.1769 0.1540 0.3461 ( 3445 PWs) bands (ev): -47.8756 -47.8756 -22.7047 -22.7045 -19.9257 -19.9207 -19.7541 -19.7533 -19.7367 -19.7311 -18.0130 -18.0130 -7.8830 -7.8829 -4.9558 -4.9488 -4.7916 -4.7914 -4.2855 -4.2771 -0.5281 -0.5267 0.7174 0.7191 1.6458 1.6467 4.4715 4.4735 9.0620 9.0637 12.1807 12.1829 12.9573 12.9605 k =-0.1826 0.1590 0.3573 ( 3453 PWs) bands (ev): -47.8756 -47.8756 -22.7031 -22.7029 -19.9259 -19.9208 -19.7542 -19.7535 -19.7368 -19.7313 -18.0144 -18.0144 -7.8853 -7.8852 -4.9703 -4.9635 -4.7864 -4.7862 -4.2849 -4.2767 -0.5344 -0.5330 0.7251 0.7269 1.6555 1.6564 4.4637 4.4656 9.1358 9.1374 12.1534 12.1557 12.8741 12.8774 k =-0.1883 0.1639 0.3685 ( 3453 PWs) bands (ev): -47.8756 -47.8756 -22.7016 -22.7014 -19.9261 -19.9209 -19.7543 -19.7538 -19.7369 -19.7314 -18.0159 -18.0159 -7.8879 -7.8878 -4.9839 -4.9772 -4.7813 -4.7811 -4.2845 -4.2765 -0.5400 -0.5386 0.7330 0.7348 1.6649 1.6657 4.4569 4.4589 9.2102 9.2117 12.1249 12.1274 12.7924 12.7959 k =-0.1940 0.1689 0.3796 ( 3461 PWs) bands (ev): -47.8756 -47.8756 -22.7000 -22.6998 -19.9263 -19.9210 -19.7545 -19.7540 -19.7371 -19.7315 -18.0173 -18.0173 -7.8907 -7.8906 -4.9965 -4.9901 -4.7762 -4.7759 -4.2844 -4.2765 -0.5450 -0.5434 0.7410 0.7428 1.6740 1.6747 4.4514 4.4533 9.2850 9.2864 12.0953 12.0978 12.7123 12.7159 k =-0.1997 0.1739 0.3908 ( 3461 PWs) bands (ev): -47.8755 -47.8755 -22.6985 -22.6983 -19.9265 -19.9211 -19.7547 -19.7543 -19.7371 -19.7316 -18.0187 -18.0187 -7.8938 -7.8937 -5.0082 -5.0019 -4.7711 -4.7708 -4.2845 -4.2767 -0.5491 -0.5475 0.7491 0.7509 1.6827 1.6834 4.4471 4.4490 9.3600 9.3614 12.0646 12.0673 12.6338 12.6376 k =-0.2054 0.1788 0.4020 ( 3465 PWs) bands (ev): -47.8755 -47.8755 -22.6970 -22.6968 -19.9267 -19.9213 -19.7549 -19.7546 -19.7373 -19.7317 -18.0201 -18.0201 -7.8972 -7.8970 -5.0189 -5.0128 -4.7660 -4.7658 -4.2848 -4.2772 -0.5524 -0.5507 0.7572 0.7591 1.6911 1.6917 4.4440 4.4459 9.4352 9.4364 12.0330 12.0357 12.5569 12.5608 k =-0.2111 0.1838 0.4131 ( 3465 PWs) bands (ev): -47.8755 -47.8755 -22.6956 -22.6953 -19.9270 -19.9214 -19.7551 -19.7549 -19.7374 -19.7318 -18.0215 -18.0215 -7.9008 -7.9006 -5.0285 -5.0225 -4.7610 -4.7607 -4.2853 -4.2779 -0.5548 -0.5532 0.7655 0.7674 1.6991 1.6996 4.4422 4.4441 9.5103 9.5114 12.0005 12.0033 12.4816 12.4856 k =-0.2168 0.1888 0.4243 ( 3467 PWs) bands (ev): -47.8755 -47.8755 -22.6942 -22.6939 -19.9272 -19.9216 -19.7554 -19.7552 -19.7375 -19.7319 -18.0228 -18.0228 -7.9047 -7.9045 -5.0370 -5.0312 -4.7560 -4.7558 -4.2860 -4.2788 -0.5564 -0.5547 0.7738 0.7757 1.7068 1.7072 4.4417 4.4437 9.5851 9.5861 11.9672 11.9700 12.4080 12.4121 k =-0.2225 0.1938 0.4355 ( 3475 PWs) bands (ev): -47.8755 -47.8755 -22.6928 -22.6925 -19.9275 -19.9218 -19.7557 -19.7555 -19.7377 -19.7321 -18.0242 -18.0242 -7.9089 -7.9087 -5.0443 -5.0387 -4.7512 -4.7509 -4.2871 -4.2800 -0.5571 -0.5554 0.7821 0.7841 1.7140 1.7144 4.4426 4.4445 9.6595 9.6604 11.9331 11.9360 12.3360 12.3402 k =-0.2282 0.1987 0.4466 ( 3483 PWs) bands (ev): -47.8755 -47.8755 -22.6915 -22.6912 -19.9278 -19.9221 -19.7561 -19.7559 -19.7379 -19.7322 -18.0255 -18.0255 -7.9134 -7.9132 -5.0505 -5.0451 -4.7464 -4.7461 -4.2883 -4.2814 -0.5569 -0.5551 0.7905 0.7925 1.7209 1.7212 4.4448 4.4467 9.7332 9.7340 11.8983 11.9012 12.2658 12.2701 k =-0.2339 0.2037 0.4578 ( 3483 PWs) bands (ev): -47.8754 -47.8754 -22.6902 -22.6899 -19.9280 -19.9223 -19.7564 -19.7562 -19.7380 -19.7324 -18.0268 -18.0267 -7.9182 -7.9179 -5.0556 -5.0502 -4.7417 -4.7414 -4.2898 -4.2830 -0.5557 -0.5539 0.7989 0.8009 1.7273 1.7276 4.4484 4.4503 9.8061 9.8067 11.8627 11.8656 12.1974 12.2017 k =-0.2396 0.2087 0.4690 ( 3483 PWs) bands (ev): -47.8754 -47.8754 -22.6889 -22.6887 -19.9283 -19.9226 -19.7568 -19.7565 -19.7382 -19.7325 -18.0280 -18.0280 -7.9232 -7.9229 -5.0594 -5.0542 -4.7370 -4.7367 -4.2915 -4.2849 -0.5536 -0.5517 0.8073 0.8094 1.7334 1.7336 4.4533 4.4552 9.8779 9.8783 11.8263 11.8292 12.1310 12.1354 k =-0.2454 0.2136 0.4801 ( 3479 PWs) bands (ev): -47.8754 -47.8754 -22.6878 -22.6875 -19.9285 -19.9228 -19.7571 -19.7568 -19.7384 -19.7326 -18.0292 -18.0292 -7.9284 -7.9281 -5.0620 -5.0569 -4.7325 -4.7322 -4.2934 -4.2870 -0.5505 -0.5486 0.8157 0.8178 1.7391 1.7392 4.4597 4.4616 9.9483 9.9486 11.7889 11.7917 12.0669 12.0712 k =-0.2511 0.2186 0.4913 ( 3473 PWs) bands (ev): -47.8754 -47.8754 -22.6866 -22.6864 -19.9288 -19.9231 -19.7575 -19.7571 -19.7386 -19.7327 -18.0303 -18.0303 -7.9340 -7.9336 -5.0634 -5.0585 -4.7280 -4.7277 -4.2956 -4.2893 -0.5465 -0.5445 0.8241 0.8262 1.7444 1.7444 4.4674 4.4693 10.0171 10.0172 11.7502 11.7529 12.0053 12.0096 k =-0.2568 0.2236 0.5025 ( 3477 PWs) bands (ev): -47.8754 -47.8754 -22.6856 -22.6853 -19.9291 -19.9234 -19.7580 -19.7575 -19.7388 -19.7329 -18.0314 -18.0314 -7.9398 -7.9394 -5.0636 -5.0588 -4.7237 -4.7234 -4.2981 -4.2919 -0.5416 -0.5396 0.8325 0.8346 1.7493 1.7493 4.4764 4.4783 10.0839 10.0840 11.7099 11.7124 11.9468 11.9509 k =-0.2625 0.2285 0.5136 ( 3477 PWs) bands (ev): -47.8754 -47.8754 -22.6846 -22.6843 -19.9294 -19.9237 -19.7584 -19.7578 -19.7391 -19.7330 -18.0325 -18.0325 -7.9458 -7.9454 -5.0626 -5.0579 -4.7195 -4.7192 -4.3007 -4.2947 -0.5357 -0.5336 0.8408 0.8430 1.7537 1.7539 4.4868 4.4887 10.1483 10.1486 11.6677 11.6698 11.8917 11.8955 k =-0.2682 0.2335 0.5248 ( 3473 PWs) bands (ev): -47.8754 -47.8754 -22.6836 -22.6834 -19.9297 -19.9240 -19.7589 -19.7582 -19.7393 -19.7332 -18.0335 -18.0335 -7.9521 -7.9517 -5.0604 -5.0558 -4.7154 -4.7151 -4.3036 -4.2977 -0.5289 -0.5268 0.8491 0.8513 1.7578 1.7581 4.4985 4.5004 10.2102 10.2107 11.6230 11.6247 11.8404 11.8439 k =-0.2739 0.2385 0.5360 ( 3457 PWs) bands (ev): -47.8754 -47.8754 -22.6827 -22.6825 -19.9299 -19.9243 -19.7594 -19.7585 -19.7395 -19.7332 -18.0345 -18.0345 -7.9585 -7.9581 -5.0570 -5.0525 -4.7114 -4.7110 -4.3067 -4.3009 -0.5211 -0.5190 0.8573 0.8595 1.7616 1.7619 4.5116 4.5134 10.2692 10.2699 11.5757 11.5768 11.7934 11.7965 k =-0.2796 0.2434 0.5471 ( 3465 PWs) bands (ev): -47.8754 -47.8754 -22.6819 -22.6816 -19.9303 -19.9247 -19.7599 -19.7589 -19.7398 -19.7334 -18.0354 -18.0354 -7.9652 -7.9648 -5.0525 -5.0481 -4.7076 -4.7072 -4.3100 -4.3043 -0.5125 -0.5104 0.8654 0.8677 1.7650 1.7653 4.5258 4.5276 10.3248 10.3258 11.5257 11.5263 11.7505 11.7531 k =-0.2853 0.2484 0.5583 ( 3465 PWs) bands (ev): -47.8754 -47.8754 -22.6811 -22.6809 -19.9306 -19.9251 -19.7605 -19.7593 -19.7400 -19.7336 -18.0363 -18.0363 -7.9721 -7.9717 -5.0468 -5.0425 -4.7038 -4.7034 -4.3135 -4.3080 -0.5030 -0.5008 0.8735 0.8757 1.7680 1.7684 4.5413 4.5431 10.3768 10.3780 11.4732 11.4732 11.7114 11.7135 k =-0.2910 0.2534 0.5694 ( 3465 PWs) bands (ev): -47.8754 -47.8754 -22.6804 -22.6802 -19.9310 -19.9255 -19.7611 -19.7598 -19.7402 -19.7337 -18.0372 -18.0372 -7.9792 -7.9787 -5.0400 -5.0358 -4.7002 -4.6998 -4.3172 -4.3118 -0.4927 -0.4905 0.8814 0.8837 1.7707 1.7711 4.5579 4.5597 10.4248 10.4262 11.4182 11.4187 11.6757 11.6774 k =-0.2967 0.2583 0.5806 ( 3463 PWs) bands (ev): -47.8754 -47.8754 -22.6798 -22.6795 -19.9313 -19.9260 -19.7617 -19.7602 -19.7404 -19.7338 -18.0380 -18.0380 -7.9864 -7.9859 -5.0321 -5.0280 -4.6967 -4.6963 -4.3211 -4.3158 -0.4815 -0.4793 0.8893 0.8915 1.7730 1.7735 4.5757 4.5775 10.4683 10.4700 11.3616 11.3625 11.6428 11.6442 k =-0.3024 0.2633 0.5918 ( 3455 PWs) bands (ev): -47.8754 -47.8754 -22.6792 -22.6789 -19.9317 -19.9264 -19.7623 -19.7606 -19.7406 -19.7339 -18.0387 -18.0387 -7.9938 -7.9933 -5.0231 -5.0191 -4.6934 -4.6930 -4.3251 -4.3199 -0.4696 -0.4673 0.8970 0.8993 1.7751 1.7756 4.5946 4.5963 10.5072 10.5091 11.3039 11.3052 11.6123 11.6134 k =-0.3081 0.2683 0.6029 ( 3453 PWs) bands (ev): -47.8754 -47.8754 -22.6787 -22.6784 -19.9321 -19.9268 -19.7630 -19.7611 -19.7407 -19.7340 -18.0394 -18.0394 -8.0013 -8.0008 -5.0132 -5.0093 -4.6902 -4.6897 -4.3293 -4.3243 -0.4569 -0.4546 0.9046 0.9069 1.7768 1.7774 4.6145 4.6162 10.5411 10.5432 11.2454 11.2470 11.5837 11.5846 k =-0.3138 0.2732 0.6141 ( 3457 PWs) bands (ev): -47.8755 -47.8755 -22.6782 -22.6779 -19.9325 -19.9274 -19.7637 -19.7617 -19.7409 -19.7341 -18.0401 -18.0401 -8.0089 -8.0084 -5.0023 -4.9985 -4.6871 -4.6866 -4.3336 -4.3287 -0.4435 -0.4412 0.9120 0.9143 1.7783 1.7789 4.6353 4.6370 10.5698 10.5721 11.1863 11.1881 11.5567 11.5574 k =-0.3195 0.2782 0.6253 ( 3455 PWs) bands (ev): -47.8755 -47.8755 -22.6778 -22.6775 -19.9329 -19.9279 -19.7644 -19.7622 -19.7410 -19.7342 -18.0407 -18.0407 -8.0166 -8.0160 -4.9905 -4.9868 -4.6841 -4.6837 -4.3381 -4.3333 -0.4295 -0.4272 0.9193 0.9216 1.7794 1.7801 4.6571 4.6587 10.5931 10.5956 11.1267 11.1288 11.5308 11.5314 k =-0.3252 0.2832 0.6364 ( 3459 PWs) bands (ev): -47.8755 -47.8755 -22.6774 -22.6771 -19.9333 -19.9284 -19.7651 -19.7628 -19.7411 -19.7343 -18.0413 -18.0413 -8.0244 -8.0238 -4.9778 -4.9742 -4.6813 -4.6808 -4.3427 -4.3380 -0.4149 -0.4126 0.9264 0.9287 1.7804 1.7811 4.6796 4.6812 10.6110 10.6137 11.0669 11.0691 11.5060 11.5065 k =-0.3309 0.2881 0.6476 ( 3459 PWs) bands (ev): -47.8755 -47.8755 -22.6771 -22.6768 -19.9337 -19.9290 -19.7658 -19.7634 -19.7411 -19.7343 -18.0419 -18.0419 -8.0322 -8.0316 -4.9644 -4.9609 -4.6786 -4.6781 -4.3474 -4.3428 -0.3997 -0.3974 0.9333 0.9357 1.7810 1.7818 4.7029 4.7045 10.6234 10.6263 11.0068 11.0091 11.4820 11.4823 k =-0.3366 0.2931 0.6588 ( 3459 PWs) bands (ev): -47.8755 -47.8755 -22.6768 -22.6765 -19.9342 -19.9296 -19.7665 -19.7641 -19.7411 -19.7344 -18.0423 -18.0423 -8.0400 -8.0394 -4.9502 -4.9468 -4.6760 -4.6755 -4.3522 -4.3477 -0.3840 -0.3817 0.9401 0.9424 1.7815 1.7822 4.7269 4.7284 10.6305 10.6336 10.9465 10.9489 11.4585 11.4588 k =-0.3424 0.2981 0.6699 ( 3463 PWs) bands (ev): -47.8756 -47.8756 -22.6766 -22.6763 -19.9346 -19.9302 -19.7673 -19.7647 -19.7411 -19.7344 -18.0428 -18.0428 -8.0478 -8.0472 -4.9354 -4.9321 -4.6735 -4.6731 -4.3570 -4.3527 -0.3680 -0.3657 0.9467 0.9490 1.7817 1.7825 4.7515 4.7530 10.6325 10.6357 10.8860 10.8884 11.4357 11.4359 k =-0.3481 0.3030 0.6811 ( 3459 PWs) bands (ev): -47.8756 -47.8756 -22.6764 -22.6762 -19.9351 -19.9308 -19.7680 -19.7654 -19.7411 -19.7344 -18.0432 -18.0432 -8.0556 -8.0550 -4.9200 -4.9167 -4.6711 -4.6707 -4.3619 -4.3577 -0.3515 -0.3492 0.9531 0.9554 1.7817 1.7825 4.7766 4.7780 10.6296 10.6329 10.8254 10.8279 11.4133 11.4134 k =-0.3538 0.3080 0.6923 ( 3457 PWs) bands (ev): -47.8756 -47.8756 -22.6763 -22.6760 -19.9356 -19.9314 -19.7687 -19.7660 -19.7409 -19.7344 -18.0436 -18.0436 -8.0633 -8.0628 -4.9041 -4.9009 -4.6689 -4.6685 -4.3668 -4.3627 -0.3348 -0.3324 0.9593 0.9616 1.7815 1.7824 4.8021 4.8035 10.6220 10.6253 10.7648 10.7672 11.3914 11.3914 k =-0.3538 0.3080 0.6923 ( 3457 PWs) bands (ev): -47.8756 -47.8756 -22.6763 -22.6760 -19.9356 -19.9314 -19.7687 -19.7660 -19.7409 -19.7344 -18.0436 -18.0436 -8.0633 -8.0628 -4.9041 -4.9009 -4.6689 -4.6685 -4.3668 -4.3627 -0.3348 -0.3324 0.9593 0.9616 1.7815 1.7824 4.8021 4.8035 10.6220 10.6253 10.7648 10.7672 11.3914 11.3914 k =-0.3458 0.3011 0.6995 ( 3456 PWs) bands (ev): -47.8756 -47.8756 -22.6763 -22.6760 -19.9356 -19.9314 -19.7687 -19.7660 -19.7409 -19.7344 -18.0436 -18.0436 -8.0629 -8.0623 -4.9041 -4.9009 -4.6694 -4.6690 -4.3665 -4.3623 -0.3353 -0.3329 0.9578 0.9602 1.7820 1.7831 4.8023 4.8037 10.6187 10.6219 10.7662 10.7687 11.3920 11.3921 k =-0.3378 0.2941 0.7066 ( 3459 PWs) bands (ev): -47.8756 -47.8756 -22.6763 -22.6761 -19.9356 -19.9314 -19.7687 -19.7660 -19.7410 -19.7344 -18.0436 -18.0436 -8.0614 -8.0608 -4.9040 -4.9008 -4.6710 -4.6704 -4.3655 -4.3614 -0.3368 -0.3344 0.9534 0.9560 1.7834 1.7850 4.8028 4.8042 10.6089 10.6120 10.7706 10.7730 11.3938 11.3940 k =-0.3298 0.2871 0.7138 ( 3457 PWs) bands (ev): -47.8756 -47.8756 -22.6764 -22.6761 -19.9356 -19.9314 -19.7688 -19.7661 -19.7409 -19.7344 -18.0436 -18.0435 -8.0590 -8.0584 -4.9038 -4.9007 -4.6735 -4.6728 -4.3639 -4.3597 -0.3393 -0.3369 0.9461 0.9491 1.7858 1.7881 4.8037 4.8051 10.5930 10.5960 10.7778 10.7803 11.3970 11.3972 k =-0.3298 0.2871 0.7138 ( 3457 PWs) bands (ev): -47.8756 -47.8756 -22.6764 -22.6761 -19.9356 -19.9314 -19.7688 -19.7661 -19.7409 -19.7344 -18.0436 -18.0435 -8.0590 -8.0584 -4.9038 -4.9007 -4.6735 -4.6728 -4.3639 -4.3597 -0.3393 -0.3369 0.9461 0.9491 1.7858 1.7881 4.8037 4.8051 10.5930 10.5960 10.7778 10.7803 11.3970 11.3972 k =-0.3195 0.2782 0.7138 ( 3451 PWs) bands (ev): -47.8756 -47.8756 -22.6764 -22.6762 -19.9354 -19.9311 -19.7684 -19.7657 -19.7410 -19.7344 -18.0434 -18.0432 -8.0517 -8.0511 -4.9128 -4.9097 -4.6775 -4.6767 -4.3592 -4.3550 -0.3519 -0.3495 0.9344 0.9376 1.7888 1.7915 4.7904 4.7918 10.5826 10.5854 10.8206 10.8231 11.4133 11.4137 k =-0.3092 0.2692 0.7138 ( 3453 PWs) bands (ev): -47.8756 -47.8756 -22.6765 -22.6763 -19.9352 -19.9308 -19.7681 -19.7655 -19.7410 -19.7344 -18.0430 -18.0429 -8.0438 -8.0432 -4.9217 -4.9185 -4.6821 -4.6812 -4.3542 -4.3499 -0.3653 -0.3629 0.9210 0.9245 1.7923 1.7955 4.7776 4.7790 10.5699 10.5726 10.8649 10.8675 11.4308 11.4314 k =-0.2989 0.2602 0.7138 ( 3449 PWs) bands (ev): -47.8756 -47.8756 -22.6766 -22.6764 -19.9350 -19.9306 -19.7679 -19.7653 -19.7410 -19.7344 -18.0426 -18.0425 -8.0352 -8.0346 -4.9304 -4.9273 -4.6873 -4.6862 -4.3488 -4.3446 -0.3794 -0.3769 0.9061 0.9099 1.7963 1.7998 4.7653 4.7667 10.5557 10.5583 10.9104 10.9131 11.4495 11.4502 k =-0.2886 0.2512 0.7138 ( 3443 PWs) bands (ev): -47.8756 -47.8756 -22.6767 -22.6765 -19.9349 -19.9304 -19.7677 -19.7651 -19.7410 -19.7344 -18.0422 -18.0420 -8.0260 -8.0254 -4.9391 -4.9360 -4.6927 -4.6916 -4.3432 -4.3389 -0.3940 -0.3915 0.8900 0.8940 1.8006 1.8044 4.7537 4.7551 10.5407 10.5432 10.9568 10.9596 11.4693 11.4701 k =-0.2783 0.2423 0.7138 ( 3443 PWs) bands (ev): -47.8755 -47.8755 -22.6768 -22.6766 -19.9348 -19.9303 -19.7675 -19.7650 -19.7409 -19.7345 -18.0416 -18.0414 -8.0162 -8.0157 -4.9477 -4.9447 -4.6985 -4.6973 -4.3374 -4.3331 -0.4093 -0.4067 0.8728 0.8770 1.8051 1.8092 4.7426 4.7440 10.5255 10.5278 11.0037 11.0067 11.4900 11.4910 k =-0.2679 0.2333 0.7138 ( 3443 PWs) bands (ev): -47.8755 -47.8755 -22.6769 -22.6766 -19.9347 -19.9303 -19.7675 -19.7651 -19.7409 -19.7345 -18.0409 -18.0407 -8.0060 -8.0055 -4.9563 -4.9534 -4.7045 -4.7032 -4.3314 -4.3271 -0.4250 -0.4224 0.8546 0.8590 1.8098 1.8141 4.7322 4.7336 10.5102 10.5124 11.0508 11.0539 11.5118 11.5128 k =-0.2576 0.2243 0.7138 ( 3448 PWs) bands (ev): -47.8755 -47.8755 -22.6769 -22.6767 -19.9347 -19.9304 -19.7675 -19.7652 -19.7409 -19.7346 -18.0401 -18.0399 -7.9953 -7.9948 -4.9650 -4.9621 -4.7105 -4.7091 -4.3253 -4.3210 -0.4412 -0.4385 0.8358 0.8403 1.8146 1.8191 4.7225 4.7239 10.4953 10.4974 11.0977 11.1010 11.5344 11.5355 k =-0.2473 0.2154 0.7138 ( 3446 PWs) bands (ev): -47.8755 -47.8755 -22.6770 -22.6767 -19.9348 -19.9305 -19.7676 -19.7653 -19.7408 -19.7347 -18.0392 -18.0390 -7.9842 -7.9838 -4.9738 -4.9710 -4.7165 -4.7150 -4.3191 -4.3148 -0.4578 -0.4550 0.8163 0.8210 1.8195 1.8240 4.7134 4.7148 10.4808 10.4828 11.1441 11.1476 11.5579 11.5591 k =-0.2370 0.2064 0.7138 ( 3449 PWs) bands (ev): -47.8755 -47.8755 -22.6770 -22.6768 -19.9349 -19.9307 -19.7678 -19.7656 -19.7408 -19.7348 -18.0382 -18.0380 -7.9728 -7.9724 -4.9827 -4.9800 -4.7224 -4.7208 -4.3129 -4.3086 -0.4746 -0.4718 0.7965 0.8012 1.8243 1.8288 4.7050 4.7063 10.4669 10.4687 11.1895 11.1932 11.5823 11.5836 k =-0.2267 0.1974 0.7138 ( 3449 PWs) bands (ev): -47.8755 -47.8755 -22.6770 -22.6768 -19.9350 -19.9310 -19.7681 -19.7660 -19.7407 -19.7349 -18.0371 -18.0369 -7.9611 -7.9607 -4.9918 -4.9892 -4.7280 -4.7263 -4.3068 -4.3025 -0.4916 -0.4888 0.7764 0.7811 1.8290 1.8336 4.6972 4.6986 10.4536 10.4554 11.2335 11.2375 11.6076 11.6090 k =-0.2164 0.1884 0.7138 ( 3451 PWs) bands (ev): -47.8755 -47.8755 -22.6770 -22.6768 -19.9352 -19.9314 -19.7684 -19.7664 -19.7406 -19.7351 -18.0359 -18.0357 -7.9493 -7.9488 -5.0011 -4.9986 -4.7332 -4.7315 -4.3007 -4.2964 -0.5086 -0.5058 0.7561 0.7608 1.8337 1.8382 4.6901 4.6915 10.4411 10.4428 11.2759 11.2801 11.6338 11.6352 k =-0.2061 0.1795 0.7138 ( 3451 PWs) bands (ev): -47.8755 -47.8755 -22.6770 -22.6767 -19.9354 -19.9318 -19.7688 -19.7669 -19.7405 -19.7352 -18.0346 -18.0344 -7.9372 -7.9368 -5.0106 -5.0082 -4.7381 -4.7363 -4.2947 -4.2905 -0.5256 -0.5228 0.7357 0.7405 1.8382 1.8427 4.6837 4.6850 10.4293 10.4309 11.3161 11.3206 11.6611 11.6626 k =-0.1958 0.1705 0.7138 ( 3450 PWs) bands (ev): -47.8755 -47.8755 -22.6769 -22.6767 -19.9357 -19.9322 -19.7692 -19.7674 -19.7404 -19.7353 -18.0332 -18.0330 -7.9251 -7.9247 -5.0202 -5.0180 -4.7424 -4.7406 -4.2888 -4.2847 -0.5424 -0.5396 0.7155 0.7201 1.8426 1.8470 4.6779 4.6791 10.4182 10.4197 11.3539 11.3586 11.6894 11.6910 k =-0.1855 0.1615 0.7138 ( 3459 PWs) bands (ev): -47.8755 -47.8755 -22.6768 -22.6766 -19.9360 -19.9327 -19.7698 -19.7681 -19.7404 -19.7355 -18.0318 -18.0315 -7.9130 -7.9127 -5.0301 -5.0281 -4.7463 -4.7444 -4.2832 -4.2792 -0.5590 -0.5562 0.6954 0.7000 1.8468 1.8511 4.6726 4.6739 10.4080 10.4094 11.3888 11.3938 11.7190 11.7207 k =-0.1752 0.1525 0.7138 ( 3458 PWs) bands (ev): -47.8755 -47.8755 -22.6767 -22.6765 -19.9364 -19.9333 -19.7704 -19.7687 -19.7403 -19.7357 -18.0302 -18.0300 -7.9010 -7.9007 -5.0402 -5.0382 -4.7495 -4.7476 -4.2778 -4.2739 -0.5753 -0.5725 0.6756 0.6801 1.8508 1.8550 4.6680 4.6692 10.3984 10.3998 11.4208 11.4259 11.7499 11.7517 k =-0.1649 0.1436 0.7138 ( 3463 PWs) bands (ev): -47.8755 -47.8755 -22.6766 -22.6764 -19.9368 -19.9339 -19.7710 -19.7694 -19.7402 -19.7359 -18.0287 -18.0284 -7.8892 -7.8888 -5.0504 -5.0485 -4.7522 -4.7502 -4.2727 -4.2688 -0.5911 -0.5884 0.6562 0.6606 1.8546 1.8586 4.6639 4.6650 10.3896 10.3909 11.4495 11.4547 11.7821 11.7840 k =-0.1546 0.1346 0.7138 ( 3460 PWs) bands (ev): -47.8754 -47.8754 -22.6765 -22.6763 -19.9372 -19.9345 -19.7716 -19.7701 -19.7400 -19.7360 -18.0271 -18.0268 -7.8775 -7.8772 -5.0606 -5.0589 -4.7543 -4.7523 -4.2678 -4.2641 -0.6063 -0.6037 0.6374 0.6416 1.8582 1.8621 4.6603 4.6614 10.3815 10.3827 11.4750 11.4803 11.8155 11.8174 k =-0.1443 0.1256 0.7138 ( 3460 PWs) bands (ev): -47.8754 -47.8754 -22.6764 -22.6762 -19.9377 -19.9352 -19.7723 -19.7709 -19.7399 -19.7362 -18.0254 -18.0252 -7.8661 -7.8659 -5.0707 -5.0692 -4.7558 -4.7539 -4.2632 -4.2597 -0.6209 -0.6184 0.6191 0.6232 1.8616 1.8653 4.6572 4.6582 10.3741 10.3752 11.4974 11.5026 11.8500 11.8519 k =-0.1340 0.1166 0.7138 ( 3466 PWs) bands (ev): -47.8754 -47.8754 -22.6762 -22.6760 -19.9381 -19.9358 -19.7730 -19.7717 -19.7398 -19.7364 -18.0238 -18.0236 -7.8552 -7.8549 -5.0808 -5.0794 -4.7569 -4.7550 -4.2589 -4.2556 -0.6348 -0.6324 0.6016 0.6055 1.8648 1.8683 4.6545 4.6555 10.3673 10.3683 11.5169 11.5219 11.8852 11.8871 k =-0.1237 0.1077 0.7138 ( 3464 PWs) bands (ev): -47.8754 -47.8754 -22.6761 -22.6759 -19.9386 -19.9365 -19.7737 -19.7724 -19.7397 -19.7365 -18.0222 -18.0220 -7.8446 -7.8444 -5.0907 -5.0894 -4.7575 -4.7556 -4.2550 -4.2518 -0.6479 -0.6455 0.5849 0.5885 1.8678 1.8711 4.6522 4.6531 10.3612 10.3621 11.5336 11.5384 11.9209 11.9227 k =-0.1134 0.0987 0.7138 ( 3464 PWs) bands (ev): -47.8754 -47.8754 -22.6759 -22.6758 -19.9391 -19.9372 -19.7743 -19.7732 -19.7396 -19.7367 -18.0207 -18.0204 -7.8346 -7.8344 -5.1002 -5.0990 -4.7577 -4.7559 -4.2514 -4.2484 -0.6601 -0.6579 0.5691 0.5725 1.8706 1.8736 4.6503 4.6512 10.3556 10.3565 11.5478 11.5524 11.9566 11.9583 k =-0.1031 0.0897 0.7138 ( 3458 PWs) bands (ev): -47.8754 -47.8754 -22.6757 -22.6756 -19.9395 -19.9378 -19.7749 -19.7739 -19.7395 -19.7368 -18.0192 -18.0190 -7.8252 -7.8250 -5.1094 -5.1083 -4.7576 -4.7559 -4.2482 -4.2454 -0.6714 -0.6694 0.5543 0.5575 1.8731 1.8759 4.6487 4.6495 10.3507 10.3514 11.5598 11.5641 11.9918 11.9935 k =-0.0928 0.0808 0.7138 ( 3452 PWs) bands (ev): -47.8754 -47.8754 -22.6756 -22.6755 -19.9399 -19.9384 -19.7755 -19.7746 -19.7393 -19.7369 -18.0177 -18.0175 -7.8164 -7.8162 -5.1180 -5.1170 -4.7572 -4.7556 -4.2453 -4.2427 -0.6818 -0.6799 0.5406 0.5435 1.8755 1.8780 4.6474 4.6482 10.3463 10.3470 11.5699 11.5739 12.0261 12.0277 k =-0.0824 0.0718 0.7138 ( 3446 PWs) bands (ev): -47.8754 -47.8754 -22.6754 -22.6753 -19.9403 -19.9390 -19.7761 -19.7752 -19.7391 -19.7371 -18.0164 -18.0162 -7.8083 -7.8082 -5.1260 -5.1251 -4.7566 -4.7551 -4.2427 -4.2403 -0.6911 -0.6894 0.5281 0.5308 1.8776 1.8798 4.6464 4.6471 10.3424 10.3430 11.5783 11.5819 12.0591 12.0605 k =-0.0721 0.0628 0.7138 ( 3448 PWs) bands (ev): -47.8754 -47.8754 -22.6753 -22.6752 -19.9407 -19.9395 -19.7766 -19.7758 -19.7390 -19.7372 -18.0152 -18.0150 -7.8011 -7.8010 -5.1333 -5.1326 -4.7558 -4.7545 -4.2404 -4.2384 -0.6994 -0.6979 0.5169 0.5192 1.8795 1.8815 4.6456 4.6462 10.3391 10.3396 11.5853 11.5884 12.0900 12.0913 k =-0.0618 0.0538 0.7138 ( 3448 PWs) bands (ev): -47.8754 -47.8754 -22.6752 -22.6751 -19.9410 -19.9400 -19.7770 -19.7764 -19.7389 -19.7373 -18.0141 -18.0140 -7.7947 -7.7946 -5.1398 -5.1392 -4.7550 -4.7539 -4.2385 -4.2367 -0.7066 -0.7053 0.5070 0.5090 1.8811 1.8828 4.6449 4.6454 10.3362 10.3366 11.5909 11.5936 12.1185 12.1196 k =-0.0515 0.0449 0.7138 ( 3452 PWs) bands (ev): -47.8754 -47.8754 -22.6750 -22.6750 -19.9413 -19.9405 -19.7774 -19.7769 -19.7388 -19.7375 -18.0132 -18.0131 -7.7892 -7.7891 -5.1454 -5.1449 -4.7542 -4.7532 -4.2369 -4.2353 -0.7128 -0.7116 0.4986 0.5003 1.8825 1.8840 4.6444 4.6449 10.3338 10.3342 11.5955 11.5978 12.1439 12.1448 k =-0.0412 0.0359 0.7138 ( 3454 PWs) bands (ev): -47.8754 -47.8754 -22.6750 -22.6749 -19.9416 -19.9409 -19.7778 -19.7773 -19.7387 -19.7377 -18.0124 -18.0123 -7.7846 -7.7845 -5.1501 -5.1497 -4.7535 -4.7527 -4.2355 -4.2343 -0.7178 -0.7169 0.4916 0.4930 1.8837 1.8849 4.6441 4.6444 10.3319 10.3322 11.5990 11.6009 12.1656 12.1664 k =-0.0309 0.0269 0.7138 ( 3454 PWs) bands (ev): -47.8754 -47.8754 -22.6749 -22.6748 -19.9417 -19.9413 -19.7780 -19.7777 -19.7386 -19.7378 -18.0117 -18.0117 -7.7810 -7.7809 -5.1539 -5.1536 -4.7528 -4.7522 -4.2344 -4.2335 -0.7217 -0.7210 0.4861 0.4872 1.8847 1.8855 4.6438 4.6441 10.3304 10.3306 11.6018 11.6031 12.1832 12.1838 k =-0.0206 0.0179 0.7138 ( 3452 PWs) bands (ev): -47.8754 -47.8754 -22.6748 -22.6748 -19.9418 -19.9415 -19.7781 -19.7779 -19.7384 -19.7379 -18.0113 -18.0112 -7.7784 -7.7783 -5.1565 -5.1563 -4.7523 -4.7519 -4.2336 -4.2330 -0.7244 -0.7240 0.4823 0.4830 1.8854 1.8860 4.6437 4.6439 10.3293 10.3295 11.6037 11.6046 12.1962 12.1966 k =-0.0103 0.0090 0.7138 ( 3452 PWs) bands (ev): -47.8754 -47.8754 -22.6748 -22.6748 -19.9419 -19.9417 -19.7782 -19.7781 -19.7383 -19.7380 -18.0110 -18.0110 -7.7768 -7.7768 -5.1581 -5.1580 -4.7519 -4.7517 -4.2331 -4.2328 -0.7261 -0.7258 0.4800 0.4804 1.8859 1.8862 4.6436 4.6437 10.3287 10.3288 11.6049 11.6054 12.2042 12.2044 k = 0.0000 0.0000 0.7138 ( 3448 PWs) bands (ev): -47.8754 -47.8754 -22.6748 -22.6748 -19.9418 -19.9418 -19.7782 -19.7782 -19.7382 -19.7382 -18.0109 -18.0109 -7.7763 -7.7763 -5.1586 -5.1586 -4.7517 -4.7517 -4.2328 -4.2328 -0.7265 -0.7265 0.4794 0.4794 1.8862 1.8862 4.6437 4.6437 10.3286 10.3286 11.6055 11.6055 12.2069 12.2069 k = 0.0000 0.0000 0.7138 ( 3448 PWs) bands (ev): -47.8754 -47.8754 -22.6748 -22.6748 -19.9418 -19.9418 -19.7782 -19.7782 -19.7382 -19.7382 -18.0109 -18.0109 -7.7763 -7.7763 -5.1586 -5.1586 -4.7517 -4.7517 -4.2328 -4.2328 -0.7265 -0.7265 0.4794 0.4794 1.8862 1.8862 4.6437 4.6437 10.3286 10.3286 11.6055 11.6055 12.2069 12.2069 k = 0.0089 0.0103 0.7138 ( 3448 PWs) bands (ev): -47.8754 -47.8754 -22.6748 -22.6748 -19.9420 -19.9416 -19.7785 -19.7779 -19.7382 -19.7381 -18.0109 -18.0109 -7.7763 -7.7763 -5.1589 -5.1587 -4.7517 -4.7514 -4.2330 -4.2329 -0.7263 -0.7261 0.4794 0.4794 1.8862 1.8862 4.6435 4.6438 10.3294 10.3297 11.6054 11.6056 12.2045 12.2050 k = 0.0179 0.0205 0.7138 ( 3450 PWs) bands (ev): -47.8754 -47.8754 -22.6748 -22.6748 -19.9422 -19.9413 -19.7788 -19.7776 -19.7382 -19.7380 -18.0110 -18.0109 -7.7765 -7.7765 -5.1595 -5.1591 -4.7513 -4.7508 -4.2334 -4.2332 -0.7255 -0.7252 0.4795 0.4796 1.8863 1.8863 4.6433 4.6438 10.3323 10.3327 11.6054 11.6058 12.1976 12.1987 k = 0.0268 0.0308 0.7138 ( 3448 PWs) bands (ev): -47.8754 -47.8754 -22.6749 -22.6749 -19.9424 -19.9411 -19.7791 -19.7773 -19.7381 -19.7378 -18.0110 -18.0109 -7.7768 -7.7768 -5.1604 -5.1597 -4.7507 -4.7498 -4.2341 -4.2338 -0.7242 -0.7238 0.4796 0.4797 1.8866 1.8866 4.6430 4.6438 10.3371 10.3377 11.6053 11.6060 12.1864 12.1880 k = 0.0357 0.0410 0.7138 ( 3446 PWs) bands (ev): -47.8754 -47.8754 -22.6750 -22.6750 -19.9425 -19.9408 -19.7793 -19.7769 -19.7380 -19.7376 -18.0111 -18.0109 -7.7773 -7.7772 -5.1616 -5.1607 -4.7497 -4.7486 -4.2351 -4.2347 -0.7223 -0.7218 0.4797 0.4799 1.8869 1.8869 4.6427 4.6437 10.3438 10.3447 11.6053 11.6062 12.1712 12.1732 k = 0.0446 0.0513 0.7138 ( 3450 PWs) bands (ev): -47.8754 -47.8754 -22.6751 -22.6751 -19.9427 -19.9405 -19.7796 -19.7766 -19.7379 -19.7374 -18.0111 -18.0109 -7.7778 -7.7777 -5.1630 -5.1620 -4.7484 -4.7471 -4.2363 -4.2358 -0.7199 -0.7193 0.4799 0.4802 1.8873 1.8873 4.6424 4.6436 10.3525 10.3535 11.6054 11.6064 12.1519 12.1545 k = 0.0536 0.0615 0.7138 ( 3448 PWs) bands (ev): -47.8754 -47.8754 -22.6753 -22.6753 -19.9428 -19.9402 -19.7798 -19.7763 -19.7377 -19.7371 -18.0112 -18.0109 -7.7785 -7.7784 -5.1647 -5.1636 -4.7469 -4.7453 -4.2377 -4.2371 -0.7171 -0.7163 0.4802 0.4805 1.8878 1.8878 4.6420 4.6435 10.3630 10.3643 11.6054 11.6066 12.1290 12.1320 k = 0.0625 0.0718 0.7138 ( 3456 PWs) bands (ev): -47.8754 -47.8754 -22.6755 -22.6755 -19.9429 -19.9399 -19.7801 -19.7760 -19.7376 -19.7368 -18.0113 -18.0109 -7.7792 -7.7791 -5.1667 -5.1654 -4.7451 -4.7433 -4.2393 -4.2387 -0.7138 -0.7129 0.4804 0.4808 1.8883 1.8883 4.6416 4.6433 10.3755 10.3769 11.6055 11.6069 12.1027 12.1061 k = 0.0714 0.0820 0.7138 ( 3452 PWs) bands (ev): -47.8754 -47.8754 -22.6757 -22.6757 -19.9430 -19.9395 -19.7803 -19.7756 -19.7373 -19.7365 -18.0113 -18.0109 -7.7800 -7.7799 -5.1689 -5.1673 -4.7432 -4.7411 -4.2411 -4.2404 -0.7101 -0.7091 0.4808 0.4812 1.8889 1.8889 4.6411 4.6430 10.3897 10.3914 11.6056 11.6072 12.0733 12.0771 k = 0.0804 0.0923 0.7138 ( 3456 PWs) bands (ev): -47.8754 -47.8754 -22.6760 -22.6760 -19.9430 -19.9392 -19.7805 -19.7753 -19.7371 -19.7361 -18.0114 -18.0110 -7.7809 -7.7808 -5.1712 -5.1695 -4.7410 -4.7387 -4.2431 -4.2423 -0.7061 -0.7049 0.4811 0.4816 1.8895 1.8895 4.6406 4.6428 10.4058 10.4076 11.6057 11.6075 12.0411 12.0452 k = 0.0893 0.1025 0.7138 ( 3456 PWs) bands (ev): -47.8754 -47.8754 -22.6762 -22.6762 -19.9431 -19.9389 -19.7807 -19.7749 -19.7368 -19.7357 -18.0115 -18.0110 -7.7819 -7.7817 -5.1736 -5.1718 -4.7387 -4.7363 -4.2452 -4.2443 -0.7018 -0.7005 0.4815 0.4820 1.8903 1.8903 4.6401 4.6425 10.4236 10.4256 11.6058 11.6078 12.0064 12.0109 k = 0.0982 0.1128 0.7138 ( 3458 PWs) bands (ev): -47.8754 -47.8754 -22.6765 -22.6765 -19.9431 -19.9385 -19.7809 -19.7746 -19.7365 -19.7353 -18.0116 -18.0111 -7.7829 -7.7828 -5.1762 -5.1742 -4.7363 -4.7337 -4.2474 -4.2464 -0.6972 -0.6958 0.4819 0.4825 1.8910 1.8910 4.6396 4.6422 10.4430 10.4452 11.6060 11.6081 11.9696 11.9743 k = 0.1071 0.1231 0.7138 ( 3464 PWs) bands (ev): -47.8754 -47.8754 -22.6768 -22.6768 -19.9431 -19.9382 -19.7811 -19.7743 -19.7362 -19.7350 -18.0117 -18.0111 -7.7840 -7.7838 -5.1788 -5.1767 -4.7339 -4.7310 -4.2497 -4.2486 -0.6925 -0.6910 0.4824 0.4830 1.8918 1.8918 4.6391 4.6418 10.4641 10.4664 11.6061 11.6084 11.9309 11.9359 k = 0.1161 0.1333 0.7138 ( 3456 PWs) bands (ev): -47.8754 -47.8754 -22.6770 -22.6770 -19.9431 -19.9378 -19.7813 -19.7740 -19.7358 -19.7345 -18.0118 -18.0111 -7.7851 -7.7849 -5.1814 -5.1792 -4.7313 -4.7283 -4.2520 -4.2509 -0.6876 -0.6860 0.4828 0.4835 1.8926 1.8927 4.6385 4.6415 10.4866 10.4892 11.6063 11.6087 11.8908 11.8960 k = 0.1250 0.1436 0.7138 ( 3456 PWs) bands (ev): -47.8754 -47.8754 -22.6773 -22.6773 -19.9431 -19.9375 -19.7814 -19.7737 -19.7355 -19.7340 -18.0119 -18.0112 -7.7862 -7.7860 -5.1841 -5.1818 -4.7288 -4.7256 -4.2544 -4.2532 -0.6827 -0.6810 0.4833 0.4840 1.8935 1.8935 4.6380 4.6411 10.5106 10.5133 11.6065 11.6090 11.8494 11.8548 k = 0.1339 0.1538 0.7138 ( 3458 PWs) bands (ev): -47.8754 -47.8754 -22.6776 -22.6776 -19.9431 -19.9372 -19.7816 -19.7734 -19.7351 -19.7336 -18.0120 -18.0112 -7.7873 -7.7871 -5.1867 -5.1843 -4.7263 -4.7230 -4.2567 -4.2554 -0.6778 -0.6760 0.4838 0.4845 1.8943 1.8943 4.6374 4.6407 10.5358 10.5387 11.6066 11.6094 11.8072 11.8128 k = 0.1429 0.1641 0.7138 ( 3458 PWs) bands (ev): -47.8754 -47.8754 -22.6779 -22.6779 -19.9431 -19.9369 -19.7817 -19.7731 -19.7348 -19.7332 -18.0120 -18.0113 -7.7884 -7.7882 -5.1892 -5.1867 -4.7238 -4.7204 -4.2590 -4.2577 -0.6730 -0.6711 0.4842 0.4850 1.8952 1.8952 4.6369 4.6403 10.5623 10.5652 11.6068 11.6097 11.7644 11.7702 k = 0.1518 0.1743 0.7138 ( 3462 PWs) bands (ev): -47.8754 -47.8754 -22.6782 -22.6782 -19.9431 -19.9366 -19.7819 -19.7729 -19.7345 -19.7328 -18.0121 -18.0114 -7.7895 -7.7892 -5.1916 -5.1891 -4.7214 -4.7179 -4.2613 -4.2599 -0.6683 -0.6663 0.4847 0.4854 1.8960 1.8960 4.6364 4.6400 10.5896 10.5927 11.6070 11.6099 11.7215 11.7274 k = 0.1607 0.1846 0.7138 ( 3466 PWs) bands (ev): -47.8754 -47.8754 -22.6785 -22.6785 -19.9431 -19.9363 -19.7820 -19.7727 -19.7341 -19.7324 -18.0122 -18.0114 -7.7905 -7.7902 -5.1940 -5.1914 -4.7192 -4.7155 -4.2634 -4.2620 -0.6638 -0.6617 0.4851 0.4859 1.8968 1.8968 4.6359 4.6396 10.6178 10.6210 11.6071 11.6102 11.6786 11.6847 k = 0.1696 0.1948 0.7138 ( 3466 PWs) bands (ev): -47.8754 -47.8754 -22.6787 -22.6787 -19.9431 -19.9360 -19.7821 -19.7725 -19.7338 -19.7320 -18.0123 -18.0115 -7.7914 -7.7912 -5.1962 -5.1935 -4.7171 -4.7133 -4.2654 -4.2639 -0.6595 -0.6574 0.4855 0.4863 1.8976 1.8976 4.6354 4.6393 10.6464 10.6497 11.6073 11.6105 11.6364 11.6425 k = 0.1786 0.2051 0.7138 ( 3468 PWs) bands (ev): -47.8754 -47.8754 -22.6790 -22.6789 -19.9430 -19.9358 -19.7822 -19.7723 -19.7335 -19.7316 -18.0123 -18.0115 -7.7924 -7.7921 -5.1982 -5.1955 -4.7151 -4.7112 -4.2673 -4.2658 -0.6555 -0.6534 0.4859 0.4867 1.8983 1.8983 4.6350 4.6390 10.6752 10.6786 11.5950 11.6013 11.6075 11.6107 k = 0.1875 0.2154 0.7138 ( 3474 PWs) bands (ev): -47.8754 -47.8754 -22.6792 -22.6792 -19.9430 -19.9356 -19.7823 -19.7721 -19.7333 -19.7313 -18.0124 -18.0115 -7.7932 -7.7929 -5.2000 -5.1972 -4.7133 -4.7094 -4.2690 -4.2675 -0.6519 -0.6497 0.4862 0.4871 1.8989 1.8990 4.6346 4.6387 10.7038 10.7072 11.5552 11.5616 11.6076 11.6109 k = 0.1964 0.2256 0.7138 ( 3474 PWs) bands (ev): -47.8754 -47.8754 -22.6794 -22.6794 -19.9430 -19.9354 -19.7824 -19.7720 -19.7331 -19.7311 -18.0125 -18.0116 -7.7939 -7.7937 -5.2016 -5.1988 -4.7117 -4.7077 -4.2705 -4.2690 -0.6486 -0.6464 0.4865 0.4874 1.8995 1.8996 4.6343 4.6384 10.7315 10.7350 11.5176 11.5240 11.6077 11.6111 k = 0.2054 0.2359 0.7138 ( 3464 PWs) bands (ev): -47.8754 -47.8754 -22.6795 -22.6795 -19.9429 -19.9352 -19.7824 -19.7718 -19.7328 -19.7307 -18.0125 -18.0116 -7.7946 -7.7943 -5.2030 -5.2002 -4.7103 -4.7063 -4.2718 -4.2702 -0.6458 -0.6435 0.4868 0.4877 1.9001 1.9001 4.6340 4.6382 10.7578 10.7614 11.4828 11.4893 11.6078 11.6113 k = 0.2143 0.2461 0.7138 ( 3466 PWs) bands (ev): -47.8754 -47.8754 -22.6797 -22.6797 -19.9429 -19.9351 -19.7825 -19.7717 -19.7326 -19.7305 -18.0126 -18.0116 -7.7951 -7.7948 -5.2042 -5.2013 -4.7092 -4.7051 -4.2729 -4.2713 -0.6435 -0.6412 0.4871 0.4880 1.9005 1.9005 4.6337 4.6380 10.7818 10.7853 11.4518 11.4584 11.6079 11.6114 k = 0.2232 0.2564 0.7138 ( 3464 PWs) bands (ev): -47.8754 -47.8754 -22.6798 -22.6798 -19.9429 -19.9350 -19.7825 -19.7716 -19.7324 -19.7303 -18.0126 -18.0117 -7.7955 -7.7952 -5.2051 -5.2022 -4.7083 -4.7042 -4.2738 -4.2722 -0.6416 -0.6393 0.4872 0.4882 1.9009 1.9009 4.6335 4.6379 10.8023 10.8058 11.4257 11.4325 11.6080 11.6115 k = 0.2321 0.2666 0.7138 ( 3454 PWs) bands (ev): -47.8754 -47.8754 -22.6799 -22.6798 -19.9428 -19.9348 -19.7825 -19.7715 -19.7323 -19.7302 -18.0126 -18.0117 -7.7958 -7.7955 -5.2057 -5.2028 -4.7077 -4.7035 -4.2744 -4.2728 -0.6402 -0.6379 0.4874 0.4883 1.9012 1.9012 4.6334 4.6378 10.8183 10.8218 11.4058 11.4126 11.6080 11.6116 k = 0.2411 0.2769 0.7138 ( 3452 PWs) bands (ev): -47.8754 -47.8754 -22.6799 -22.6799 -19.9428 -19.9348 -19.7825 -19.7714 -19.7322 -19.7301 -18.0126 -18.0117 -7.7960 -7.7957 -5.2061 -5.2032 -4.7073 -4.7031 -4.2748 -4.2731 -0.6394 -0.6370 0.4875 0.4884 1.9013 1.9013 4.6333 4.6377 10.8285 10.8319 11.3933 11.4001 11.6081 11.6117 k = 0.2500 0.2871 0.7138 ( 3444 PWs) bands (ev): -47.8754 -47.8754 -22.6799 -22.6799 -19.9428 -19.9347 -19.7825 -19.7714 -19.7322 -19.7300 -18.0126 -18.0117 -7.7961 -7.7958 -5.2063 -5.2033 -4.7071 -4.7030 -4.2749 -4.2732 -0.6391 -0.6368 0.4875 0.4885 1.9014 1.9014 4.6333 4.6377 10.8320 10.8354 11.3890 11.3958 11.6081 11.6117 k = 0.2500 0.2871 0.7138 ( 3444 PWs) bands (ev): -47.8754 -47.8754 -22.6799 -22.6799 -19.9428 -19.9347 -19.7825 -19.7714 -19.7322 -19.7300 -18.0126 -18.0117 -7.7961 -7.7958 -5.2063 -5.2033 -4.7071 -4.7030 -4.2749 -4.2732 -0.6391 -0.6368 0.4875 0.4885 1.9014 1.9014 4.6333 4.6377 10.8320 10.8354 11.3890 11.3958 11.6081 11.6117 k = 0.2417 0.2944 0.7063 ( 3454 PWs) bands (ev): -47.8754 -47.8754 -22.6799 -22.6799 -19.9428 -19.9347 -19.7825 -19.7714 -19.7322 -19.7301 -18.0127 -18.0117 -7.7965 -7.7962 -5.2056 -5.2027 -4.7076 -4.7035 -4.2748 -4.2731 -0.6390 -0.6367 0.4886 0.4895 1.9011 1.9012 4.6331 4.6375 10.8311 10.8345 11.3685 11.3744 11.6310 11.6337 k = 0.2333 0.3016 0.6988 ( 3458 PWs) bands (ev): -47.8754 -47.8754 -22.6800 -22.6800 -19.9426 -19.9346 -19.7823 -19.7713 -19.7322 -19.7301 -18.0128 -18.0119 -7.7979 -7.7976 -5.2038 -5.2009 -4.7091 -4.7049 -4.2746 -4.2728 -0.6387 -0.6363 0.4917 0.4927 1.9005 1.9006 4.6324 4.6368 10.8284 10.8319 11.3214 11.3262 11.6838 11.6851 k = 0.2250 0.3089 0.6914 ( 3460 PWs) bands (ev): -47.8754 -47.8754 -22.6802 -22.6802 -19.9424 -19.9344 -19.7821 -19.7711 -19.7322 -19.7300 -18.0131 -18.0121 -7.8002 -7.7999 -5.2008 -5.1978 -4.7114 -4.7072 -4.2742 -4.2723 -0.6380 -0.6357 0.4970 0.4979 1.8994 1.8996 4.6313 4.6356 10.8240 10.8273 11.2647 11.2687 11.7487 11.7491 k = 0.2167 0.3162 0.6839 ( 3466 PWs) bands (ev): -47.8754 -47.8754 -22.6804 -22.6804 -19.9420 -19.9342 -19.7817 -19.7708 -19.7321 -19.7300 -18.0134 -18.0125 -7.8034 -7.8031 -5.1966 -5.1936 -4.7145 -4.7103 -4.2736 -4.2716 -0.6371 -0.6348 0.5042 0.5052 1.8980 1.8982 4.6297 4.6340 10.8177 10.8209 11.2054 11.2089 11.8186 11.8189 k = 0.2083 0.3234 0.6764 ( 3464 PWs) bands (ev): -47.8754 -47.8754 -22.6807 -22.6807 -19.9416 -19.9338 -19.7811 -19.7704 -19.7321 -19.7300 -18.0139 -18.0130 -7.8074 -7.8071 -5.1913 -5.1883 -4.7184 -4.7141 -4.2731 -4.2709 -0.6359 -0.6337 0.5134 0.5144 1.8961 1.8964 4.6278 4.6320 10.8094 10.8125 11.1463 11.1495 11.8907 11.8915 k = 0.2000 0.3307 0.6689 ( 3468 PWs) bands (ev): -47.8754 -47.8754 -22.6811 -22.6811 -19.9410 -19.9333 -19.7805 -19.7699 -19.7320 -19.7299 -18.0144 -18.0135 -7.8122 -7.8119 -5.1850 -5.1820 -4.7229 -4.7185 -4.2725 -4.2702 -0.6344 -0.6322 0.5244 0.5254 1.8939 1.8943 4.6254 4.6296 10.7989 10.8017 11.0887 11.0918 11.9641 11.9654 k = 0.1917 0.3379 0.6614 ( 3466 PWs) bands (ev): -47.8754 -47.8754 -22.6815 -22.6815 -19.9404 -19.9328 -19.7798 -19.7693 -19.7320 -19.7298 -18.0150 -18.0141 -7.8176 -7.8174 -5.1778 -5.1748 -4.7278 -4.7234 -4.2720 -4.2695 -0.6326 -0.6305 0.5371 0.5381 1.8914 1.8918 4.6226 4.6268 10.7859 10.7885 11.0336 11.0367 12.0377 12.0394 k = 0.1833 0.3452 0.6539 ( 3466 PWs) bands (ev): -47.8754 -47.8754 -22.6819 -22.6819 -19.9396 -19.9323 -19.7789 -19.7686 -19.7319 -19.7298 -18.0157 -18.0148 -7.8238 -7.8235 -5.1698 -5.1668 -4.7331 -4.7286 -4.2716 -4.2690 -0.6305 -0.6286 0.5514 0.5524 1.8885 1.8889 4.6195 4.6236 10.7699 10.7721 10.9819 10.9852 12.1107 12.1130 k = 0.1750 0.3524 0.6464 ( 3466 PWs) bands (ev): -47.8754 -47.8754 -22.6824 -22.6824 -19.9388 -19.9317 -19.7780 -19.7680 -19.7318 -19.7297 -18.0165 -18.0156 -7.8305 -7.8302 -5.1611 -5.1581 -4.7385 -4.7340 -4.2715 -4.2688 -0.6282 -0.6263 0.5670 0.5680 1.8854 1.8859 4.6161 4.6201 10.7503 10.7521 10.9345 10.9380 12.1824 12.1851 k = 0.1667 0.3597 0.6389 ( 3464 PWs) bands (ev): -47.8754 -47.8754 -22.6829 -22.6829 -19.9380 -19.9310 -19.7770 -19.7672 -19.7316 -19.7296 -18.0173 -18.0165 -7.8377 -7.8374 -5.1519 -5.1489 -4.7440 -4.7393 -4.2716 -4.2688 -0.6256 -0.6238 0.5839 0.5849 1.8820 1.8825 4.6123 4.6162 10.7263 10.7277 10.8924 10.8962 12.2517 12.2549 k = 0.1583 0.3669 0.6315 ( 3462 PWs) bands (ev): -47.8754 -47.8754 -22.6835 -22.6835 -19.9371 -19.9303 -19.7759 -19.7664 -19.7315 -19.7294 -18.0182 -18.0174 -7.8453 -7.8450 -5.1424 -5.1394 -4.7492 -4.7445 -4.2721 -4.2692 -0.6227 -0.6210 0.6017 0.6028 1.8784 1.8790 4.6083 4.6121 10.6976 10.6987 10.8562 10.8602 12.3179 12.3215 k = 0.1500 0.3742 0.6240 ( 3460 PWs) bands (ev): -47.8754 -47.8754 -22.6841 -22.6841 -19.9361 -19.9296 -19.7748 -19.7656 -19.7313 -19.7293 -18.0191 -18.0183 -7.8532 -7.8530 -5.1327 -5.1296 -4.7541 -4.7494 -4.2730 -4.2700 -0.6196 -0.6180 0.6205 0.6216 1.8746 1.8752 4.6040 4.6077 10.6647 10.6658 10.8255 10.8296 12.3796 12.3838 k = 0.1417 0.3815 0.6165 ( 3460 PWs) bands (ev): -47.8754 -47.8754 -22.6847 -22.6847 -19.9352 -19.9289 -19.7736 -19.7647 -19.7311 -19.7292 -18.0200 -18.0193 -7.8613 -7.8611 -5.1230 -5.1199 -4.7585 -4.7537 -4.2743 -4.2712 -0.6162 -0.6147 0.6399 0.6409 1.8707 1.8714 4.5996 4.6032 10.6288 10.6299 10.7993 10.8034 12.4360 12.4407 k = 0.1333 0.3887 0.6090 ( 3458 PWs) bands (ev): -47.8754 -47.8754 -22.6853 -22.6853 -19.9342 -19.9282 -19.7723 -19.7638 -19.7309 -19.7290 -18.0210 -18.0203 -7.8696 -7.8694 -5.1135 -5.1104 -4.7623 -4.7574 -4.2760 -4.2729 -0.6127 -0.6113 0.6597 0.6607 1.8667 1.8674 4.5950 4.5984 10.5916 10.5927 10.7764 10.7804 12.4860 12.4910 k = 0.1250 0.3960 0.6015 ( 3462 PWs) bands (ev): -47.8754 -47.8754 -22.6859 -22.6859 -19.9332 -19.9276 -19.7711 -19.7630 -19.7308 -19.7289 -18.0220 -18.0213 -7.8779 -7.8777 -5.1043 -5.1013 -4.7652 -4.7603 -4.2782 -4.2750 -0.6090 -0.6077 0.6797 0.6807 1.8627 1.8634 4.5903 4.5936 10.5541 10.5552 10.7558 10.7596 12.5288 12.5340 k = 0.1167 0.4032 0.5940 ( 3466 PWs) bands (ev): -47.8754 -47.8754 -22.6865 -22.6865 -19.9323 -19.9269 -19.7698 -19.7621 -19.7305 -19.7287 -18.0230 -18.0223 -7.8862 -7.8860 -5.0957 -5.0927 -4.7672 -4.7623 -4.2808 -4.2777 -0.6052 -0.6040 0.6997 0.7007 1.8586 1.8593 4.5855 4.5887 10.5174 10.5184 10.7367 10.7403 12.5639 12.5692 k = 0.1083 0.4105 0.5865 ( 3464 PWs) bands (ev): -47.8754 -47.8754 -22.6871 -22.6871 -19.9313 -19.9263 -19.7686 -19.7613 -19.7303 -19.7285 -18.0240 -18.0234 -7.8943 -7.8941 -5.0877 -5.0848 -4.7681 -4.7633 -4.2839 -4.2807 -0.6013 -0.6002 0.7195 0.7206 1.8546 1.8553 4.5808 4.5838 10.4819 10.4829 10.7187 10.7221 12.5915 12.5967 k = 0.1000 0.4177 0.5791 ( 3464 PWs) bands (ev): -47.8754 -47.8754 -22.6877 -22.6877 -19.9303 -19.9257 -19.7673 -19.7605 -19.7300 -19.7284 -18.0249 -18.0244 -7.9021 -7.9019 -5.0805 -5.0777 -4.7680 -4.7633 -4.2873 -4.2842 -0.5974 -0.5964 0.7388 0.7399 1.8507 1.8514 4.5761 4.5789 10.4481 10.4491 10.7018 10.7050 12.6119 12.6170 k = 0.0917 0.4250 0.5716 ( 3464 PWs) bands (ev): -47.8754 -47.8754 -22.6883 -22.6883 -19.9294 -19.9251 -19.7661 -19.7598 -19.7298 -19.7282 -18.0259 -18.0253 -7.9097 -7.9095 -5.0742 -5.0716 -4.7668 -4.7622 -4.2911 -4.2880 -0.5936 -0.5927 0.7576 0.7586 1.8469 1.8476 4.5716 4.5742 10.4164 10.4173 10.6858 10.6887 12.6261 12.6309 k = 0.0833 0.4322 0.5641 ( 3472 PWs) bands (ev): -47.8754 -47.8754 -22.6889 -22.6889 -19.9286 -19.9246 -19.7649 -19.7591 -19.7295 -19.7280 -18.0267 -18.0263 -7.9169 -7.9167 -5.0688 -5.0663 -4.7646 -4.7603 -4.2950 -4.2921 -0.5899 -0.5890 0.7755 0.7765 1.8432 1.8439 4.5672 4.5696 10.3868 10.3877 10.6708 10.6734 12.6351 12.6394 k = 0.0750 0.4395 0.5566 ( 3472 PWs) bands (ev): -47.8754 -47.8754 -22.6894 -22.6894 -19.9278 -19.9242 -19.7638 -19.7585 -19.7292 -19.7279 -18.0276 -18.0271 -7.9236 -7.9234 -5.0643 -5.0620 -4.7616 -4.7575 -4.2992 -4.2964 -0.5863 -0.5855 0.7924 0.7933 1.8398 1.8404 4.5630 4.5652 10.3596 10.3604 10.6568 10.6591 12.6398 12.6438 k = 0.0667 0.4468 0.5491 ( 3468 PWs) bands (ev): -47.8754 -47.8754 -22.6899 -22.6899 -19.9270 -19.9237 -19.7627 -19.7580 -19.7289 -19.7277 -18.0284 -18.0280 -7.9298 -7.9296 -5.0606 -5.0586 -4.7579 -4.7541 -4.3034 -4.3008 -0.5828 -0.5822 0.8081 0.8089 1.8367 1.8372 4.5592 4.5612 10.3350 10.3357 10.6438 10.6460 12.6415 12.6449 k = 0.0583 0.4540 0.5416 ( 3472 PWs) bands (ev): -47.8754 -47.8754 -22.6903 -22.6903 -19.9262 -19.9234 -19.7617 -19.7575 -19.7287 -19.7276 -18.0291 -18.0287 -7.9354 -7.9353 -5.0577 -5.0559 -4.7537 -4.7503 -4.3075 -4.3051 -0.5797 -0.5791 0.8224 0.8231 1.8337 1.8343 4.5556 4.5574 10.3130 10.3136 10.6322 10.6340 12.6408 12.6439 k = 0.0500 0.4613 0.5341 ( 3484 PWs) bands (ev): -47.8754 -47.8754 -22.6907 -22.6907 -19.9256 -19.9232 -19.7608 -19.7572 -19.7285 -19.7275 -18.0297 -18.0294 -7.9404 -7.9403 -5.0555 -5.0539 -4.7493 -4.7463 -4.3115 -4.3093 -0.5769 -0.5764 0.8351 0.8358 1.8312 1.8316 4.5525 4.5540 10.2937 10.2942 10.6218 10.6234 12.6388 12.6414 k = 0.0417 0.4685 0.5266 ( 3486 PWs) bands (ev): -47.8754 -47.8754 -22.6911 -22.6911 -19.9250 -19.9230 -19.7599 -19.7569 -19.7282 -19.7274 -18.0302 -18.0300 -7.9446 -7.9446 -5.0538 -5.0525 -4.7450 -4.7424 -4.3151 -4.3132 -0.5744 -0.5740 0.8461 0.8467 1.8289 1.8293 4.5497 4.5510 10.2772 10.2777 10.6128 10.6142 12.6360 12.6382 k = 0.0333 0.4758 0.5192 ( 3484 PWs) bands (ev): -47.8754 -47.8754 -22.6913 -22.6913 -19.9245 -19.9229 -19.7592 -19.7568 -19.7280 -19.7273 -18.0307 -18.0305 -7.9482 -7.9481 -5.0526 -5.0515 -4.7410 -4.7388 -4.3182 -4.3167 -0.5723 -0.5720 0.8553 0.8558 1.8271 1.8274 4.5475 4.5485 10.2637 10.2640 10.6054 10.6065 12.6331 12.6348 k = 0.0250 0.4830 0.5117 ( 3480 PWs) bands (ev): -47.8754 -47.8754 -22.6916 -22.6915 -19.9240 -19.9228 -19.7585 -19.7567 -19.7278 -19.7273 -18.0310 -18.0308 -7.9510 -7.9509 -5.0517 -5.0509 -4.7375 -4.7358 -4.3207 -4.3195 -0.5706 -0.5703 0.8627 0.8630 1.8256 1.8259 4.5457 4.5465 10.2530 10.2533 10.5996 10.6004 12.6305 12.6317 k = 0.0167 0.4903 0.5042 ( 3476 PWs) bands (ev): -47.8754 -47.8754 -22.6917 -22.6917 -19.9236 -19.9228 -19.7579 -19.7567 -19.7276 -19.7272 -18.0312 -18.0311 -7.9530 -7.9530 -5.0511 -5.0505 -4.7348 -4.7336 -4.3226 -4.3218 -0.5693 -0.5692 0.8680 0.8682 1.8246 1.8247 4.5445 4.5450 10.2454 10.2456 10.5954 10.5960 12.6284 12.6292 k = 0.0083 0.4975 0.4967 ( 3476 PWs) bands (ev): -47.8754 -47.8754 -22.6918 -22.6918 -19.9233 -19.9229 -19.7574 -19.7568 -19.7274 -19.7273 -18.0314 -18.0313 -7.9542 -7.9542 -5.0507 -5.0504 -4.7329 -4.7324 -4.3236 -4.3232 -0.5686 -0.5685 0.8712 0.8713 1.8240 1.8240 4.5438 4.5440 10.2409 10.2410 10.5929 10.5932 12.6271 12.6275 k = 0.0000 0.5048 0.4892 ( 3478 PWs) bands (ev): -47.8754 -47.8754 -22.6918 -22.6918 -19.9230 -19.9230 -19.7571 -19.7571 -19.7273 -19.7273 -18.0314 -18.0314 -7.9546 -7.9546 -5.0505 -5.0505 -4.7321 -4.7321 -4.3239 -4.3239 -0.5683 -0.5683 0.8723 0.8723 1.8238 1.8238 4.5436 4.5436 10.2394 10.2394 10.5922 10.5922 12.6268 12.6268 k = 0.0000 0.5048 0.4892 ( 3478 PWs) bands (ev): -47.8754 -47.8754 -22.6918 -22.6918 -19.9230 -19.9230 -19.7571 -19.7571 -19.7273 -19.7273 -18.0314 -18.0314 -7.9546 -7.9546 -5.0505 -5.0505 -4.7321 -4.7321 -4.3239 -4.3239 -0.5683 -0.5683 0.8723 0.8723 1.8238 1.8238 4.5436 4.5436 10.2394 10.2394 10.5922 10.5922 12.6268 12.6268 k = 0.0104 0.5106 0.4832 ( 3472 PWs) bands (ev): -47.8754 -47.8754 -22.6918 -22.6918 -19.9232 -19.9229 -19.7571 -19.7571 -19.7275 -19.7272 -18.0314 -18.0314 -7.9548 -7.9547 -5.0504 -5.0503 -4.7320 -4.7320 -4.3240 -4.3237 -0.5680 -0.5679 0.8724 0.8725 1.8237 1.8237 4.5438 4.5439 10.2401 10.2401 10.5926 10.5927 12.6254 12.6255 k = 0.0208 0.5164 0.4773 ( 3476 PWs) bands (ev): -47.8754 -47.8754 -22.6917 -22.6917 -19.9234 -19.9228 -19.7571 -19.7571 -19.7277 -19.7272 -18.0315 -18.0315 -7.9552 -7.9551 -5.0502 -5.0498 -4.7317 -4.7317 -4.3241 -4.3236 -0.5672 -0.5670 0.8726 0.8728 1.8233 1.8234 4.5444 4.5446 10.2421 10.2421 10.5938 10.5941 12.6211 12.6213 k = 0.0312 0.5222 0.4713 ( 3470 PWs) bands (ev): -47.8754 -47.8754 -22.6916 -22.6915 -19.9235 -19.9227 -19.7572 -19.7572 -19.7279 -19.7271 -18.0316 -18.0316 -7.9558 -7.9557 -5.0497 -5.0492 -4.7312 -4.7312 -4.3242 -4.3235 -0.5658 -0.5655 0.8730 0.8733 1.8227 1.8228 4.5454 4.5456 10.2454 10.2455 10.5959 10.5964 12.6141 12.6144 k = 0.0416 0.5280 0.4653 ( 3467 PWs) bands (ev): -47.8754 -47.8754 -22.6914 -22.6913 -19.9238 -19.9227 -19.7573 -19.7572 -19.7282 -19.7271 -18.0317 -18.0317 -7.9567 -7.9566 -5.0490 -5.0483 -4.7305 -4.7304 -4.3243 -4.3233 -0.5639 -0.5635 0.8736 0.8740 1.8219 1.8221 4.5468 4.5471 10.2501 10.2502 10.5988 10.5995 12.6044 12.6047 k = 0.0520 0.5337 0.4594 ( 3467 PWs) bands (ev): -47.8754 -47.8754 -22.6911 -22.6911 -19.9240 -19.9227 -19.7574 -19.7574 -19.7285 -19.7272 -18.0319 -18.0319 -7.9579 -7.9578 -5.0481 -5.0472 -4.7296 -4.7295 -4.3244 -4.3232 -0.5614 -0.5609 0.8743 0.8748 1.8209 1.8211 4.5487 4.5491 10.2560 10.2562 10.6026 10.6034 12.5919 12.5923 k = 0.0624 0.5395 0.4534 ( 3470 PWs) bands (ev): -47.8754 -47.8754 -22.6908 -22.6907 -19.9243 -19.9228 -19.7576 -19.7575 -19.7288 -19.7273 -18.0321 -18.0321 -7.9593 -7.9592 -5.0469 -5.0458 -4.7285 -4.7284 -4.3245 -4.3231 -0.5583 -0.5577 0.8752 0.8759 1.8197 1.8199 4.5509 4.5514 10.2633 10.2635 10.6071 10.6081 12.5767 12.5773 k = 0.0728 0.5453 0.4474 ( 3468 PWs) bands (ev): -47.8754 -47.8754 -22.6905 -22.6904 -19.9246 -19.9228 -19.7577 -19.7576 -19.7293 -19.7275 -18.0323 -18.0323 -7.9610 -7.9608 -5.0455 -5.0442 -4.7273 -4.7271 -4.3247 -4.3231 -0.5547 -0.5539 0.8763 0.8771 1.8184 1.8186 4.5537 4.5542 10.2718 10.2721 10.6124 10.6135 12.5589 12.5596 k = 0.0832 0.5511 0.4414 ( 3471 PWs) bands (ev): -47.8754 -47.8754 -22.6900 -22.6899 -19.9250 -19.9229 -19.7579 -19.7578 -19.7297 -19.7277 -18.0326 -18.0326 -7.9629 -7.9627 -5.0438 -5.0424 -4.7258 -4.7257 -4.3249 -4.3231 -0.5505 -0.5497 0.8776 0.8784 1.8168 1.8171 4.5568 4.5574 10.2816 10.2819 10.6183 10.6196 12.5385 12.5393 k = 0.0936 0.5569 0.4355 ( 3471 PWs) bands (ev): -47.8754 -47.8754 -22.6896 -22.6895 -19.9253 -19.9230 -19.7582 -19.7580 -19.7302 -19.7279 -18.0329 -18.0329 -7.9651 -7.9648 -5.0419 -5.0403 -4.7242 -4.7240 -4.3252 -4.3231 -0.5459 -0.5449 0.8791 0.8800 1.8151 1.8155 4.5604 4.5611 10.2926 10.2930 10.6248 10.6262 12.5156 12.5165 k = 0.1040 0.5627 0.4295 ( 3467 PWs) bands (ev): -47.8754 -47.8754 -22.6891 -22.6889 -19.9257 -19.9232 -19.7584 -19.7581 -19.7308 -19.7282 -18.0333 -18.0333 -7.9674 -7.9672 -5.0397 -5.0380 -4.7225 -4.7223 -4.3255 -4.3233 -0.5407 -0.5397 0.8807 0.8817 1.8134 1.8137 4.5645 4.5653 10.3048 10.3052 10.6319 10.6335 12.4902 12.4912 k = 0.1145 0.5685 0.4235 ( 3473 PWs) bands (ev): -47.8754 -47.8754 -22.6885 -22.6884 -19.9261 -19.9234 -19.7587 -19.7584 -19.7313 -19.7285 -18.0337 -18.0337 -7.9700 -7.9698 -5.0373 -5.0354 -4.7206 -4.7203 -4.3259 -4.3235 -0.5351 -0.5339 0.8825 0.8836 1.8115 1.8118 4.5691 4.5699 10.3181 10.3186 10.6394 10.6411 12.4623 12.4634 k = 0.1249 0.5743 0.4175 ( 3475 PWs) bands (ev): -47.8754 -47.8754 -22.6880 -22.6878 -19.9265 -19.9236 -19.7590 -19.7586 -19.7319 -19.7288 -18.0341 -18.0341 -7.9729 -7.9726 -5.0345 -5.0325 -4.7185 -4.7183 -4.3264 -4.3238 -0.5290 -0.5278 0.8845 0.8857 1.8095 1.8099 4.5742 4.5750 10.3326 10.3330 10.6473 10.6492 12.4321 12.4333 k = 0.1353 0.5800 0.4116 ( 3475 PWs) bands (ev): -47.8754 -47.8754 -22.6874 -22.6872 -19.9269 -19.9238 -19.7593 -19.7589 -19.7325 -19.7291 -18.0345 -18.0345 -7.9759 -7.9755 -5.0315 -5.0294 -4.7163 -4.7161 -4.3270 -4.3242 -0.5225 -0.5212 0.8867 0.8880 1.8075 1.8079 4.5797 4.5806 10.3480 10.3485 10.6555 10.6575 12.3994 12.4008 k = 0.1457 0.5858 0.4056 ( 3469 PWs) bands (ev): -47.8754 -47.8754 -22.6867 -22.6865 -19.9273 -19.9240 -19.7596 -19.7591 -19.7331 -19.7294 -18.0349 -18.0349 -7.9791 -7.9787 -5.0282 -5.0260 -4.7141 -4.7138 -4.3277 -4.3247 -0.5155 -0.5141 0.8891 0.8905 1.8055 1.8059 4.5857 4.5868 10.3645 10.3651 10.6640 10.6661 12.3645 12.3659 k = 0.1561 0.5916 0.3996 ( 3469 PWs) bands (ev): -47.8754 -47.8754 -22.6861 -22.6859 -19.9278 -19.9243 -19.7600 -19.7594 -19.7337 -19.7298 -18.0354 -18.0354 -7.9824 -7.9821 -5.0247 -5.0223 -4.7117 -4.7114 -4.3285 -4.3254 -0.5082 -0.5067 0.8916 0.8931 1.8034 1.8039 4.5923 4.5934 10.3819 10.3825 10.6725 10.6748 12.3272 12.3287 k = 0.1665 0.5974 0.3937 ( 3461 PWs) bands (ev): -47.8754 -47.8754 -22.6854 -22.6852 -19.9282 -19.9246 -19.7604 -19.7596 -19.7343 -19.7301 -18.0359 -18.0359 -7.9860 -7.9856 -5.0208 -5.0183 -4.7092 -4.7089 -4.3294 -4.3261 -0.5006 -0.4990 0.8944 0.8959 1.8014 1.8019 4.5993 4.6005 10.4002 10.4008 10.6811 10.6835 12.2875 12.2892 k = 0.1769 0.6032 0.3877 ( 3461 PWs) bands (ev): -47.8754 -47.8754 -22.6847 -22.6845 -19.9287 -19.9249 -19.7608 -19.7599 -19.7349 -19.7305 -18.0364 -18.0364 -7.9897 -7.9893 -5.0167 -5.0141 -4.7067 -4.7064 -4.3304 -4.3270 -0.4926 -0.4909 0.8972 0.8989 1.7994 1.8000 4.6069 4.6081 10.4193 10.4198 10.6897 10.6922 12.2456 12.2473 k = 0.1873 0.6090 0.3817 ( 3457 PWs) bands (ev): -47.8754 -47.8754 -22.6840 -22.6838 -19.9291 -19.9252 -19.7612 -19.7602 -19.7355 -19.7308 -18.0369 -18.0369 -7.9935 -7.9931 -5.0122 -5.0095 -4.7041 -4.7038 -4.3317 -4.3281 -0.4842 -0.4825 0.9003 0.9020 1.7975 1.7981 4.6150 4.6162 10.4390 10.4395 10.6983 10.7008 12.2013 12.2031 k = 0.1977 0.6148 0.3757 ( 3463 PWs) bands (ev): -47.8755 -47.8755 -22.6833 -22.6831 -19.9296 -19.9256 -19.7617 -19.7606 -19.7361 -19.7312 -18.0374 -18.0374 -7.9975 -7.9971 -5.0075 -5.0047 -4.7015 -4.7011 -4.3330 -4.3294 -0.4757 -0.4739 0.9035 0.9053 1.7956 1.7962 4.6236 4.6248 10.4592 10.4597 10.7068 10.7093 12.1547 12.1566 k = 0.2081 0.6206 0.3698 ( 3463 PWs) bands (ev): -47.8755 -47.8755 -22.6826 -22.6824 -19.9301 -19.9260 -19.7621 -19.7609 -19.7367 -19.7316 -18.0379 -18.0379 -8.0016 -8.0012 -5.0025 -4.9996 -4.6989 -4.6985 -4.3345 -4.3308 -0.4669 -0.4650 0.9068 0.9087 1.7938 1.7944 4.6327 4.6340 10.4798 10.4803 10.7151 10.7176 12.1058 12.1078 k = 0.2185 0.6263 0.3638 ( 3456 PWs) bands (ev): -47.8755 -47.8755 -22.6819 -22.6817 -19.9305 -19.9263 -19.7626 -19.7612 -19.7373 -19.7319 -18.0384 -18.0384 -8.0059 -8.0054 -4.9972 -4.9942 -4.6962 -4.6958 -4.3361 -4.3323 -0.4578 -0.4559 0.9103 0.9123 1.7921 1.7928 4.6423 4.6436 10.5005 10.5009 10.7235 10.7259 12.0547 12.0567 k = 0.2289 0.6321 0.3578 ( 3456 PWs) bands (ev): -47.8755 -47.8755 -22.6812 -22.6810 -19.9310 -19.9267 -19.7630 -19.7615 -19.7378 -19.7323 -18.0389 -18.0389 -8.0102 -8.0097 -4.9916 -4.9885 -4.6936 -4.6932 -4.3379 -4.3340 -0.4486 -0.4466 0.9139 0.9159 1.7905 1.7912 4.6524 4.6537 10.5210 10.5213 10.7318 10.7341 12.0014 12.0033 k = 0.2393 0.6379 0.3518 ( 3453 PWs) bands (ev): -47.8755 -47.8755 -22.6806 -22.6803 -19.9314 -19.9271 -19.7635 -19.7618 -19.7383 -19.7326 -18.0394 -18.0394 -8.0145 -8.0140 -4.9857 -4.9826 -4.6910 -4.6906 -4.3398 -4.3358 -0.4392 -0.4372 0.9176 0.9197 1.7891 1.7898 4.6629 4.6643 10.5411 10.5412 10.7404 10.7425 11.9460 11.9479 k = 0.2497 0.6437 0.3459 ( 3451 PWs) bands (ev): -47.8755 -47.8755 -22.6800 -22.6797 -19.9319 -19.9275 -19.7640 -19.7622 -19.7388 -19.7329 -18.0399 -18.0399 -8.0190 -8.0185 -4.9795 -4.9764 -4.6885 -4.6881 -4.3419 -4.3378 -0.4297 -0.4276 0.9214 0.9235 1.7878 1.7885 4.6739 4.6753 10.5600 10.5602 10.7493 10.7511 11.8888 11.8906 k = 0.2601 0.6495 0.3399 ( 3449 PWs) bands (ev): -47.8755 -47.8755 -22.6794 -22.6791 -19.9323 -19.9279 -19.7645 -19.7626 -19.7392 -19.7331 -18.0404 -18.0404 -8.0235 -8.0229 -4.9731 -4.9699 -4.6860 -4.6856 -4.3440 -4.3399 -0.4202 -0.4180 0.9253 0.9274 1.7866 1.7873 4.6853 4.6868 10.5774 10.5779 10.7588 10.7602 11.8299 11.8317 k = 0.2705 0.6553 0.3339 ( 3454 PWs) bands (ev): -47.8755 -47.8755 -22.6788 -22.6786 -19.9328 -19.9283 -19.7650 -19.7630 -19.7396 -19.7334 -18.0409 -18.0409 -8.0280 -8.0275 -4.9664 -4.9631 -4.6836 -4.6832 -4.3463 -4.3421 -0.4106 -0.4084 0.9292 0.9314 1.7856 1.7863 4.6971 4.6986 10.5927 10.5936 10.7689 10.7699 11.7699 11.7715 k = 0.2809 0.6611 0.3280 ( 3456 PWs) bands (ev): -47.8755 -47.8755 -22.6783 -22.6781 -19.9332 -19.9287 -19.7655 -19.7634 -19.7400 -19.7336 -18.0413 -18.0413 -8.0325 -8.0320 -4.9594 -4.9561 -4.6813 -4.6808 -4.3487 -4.3444 -0.4009 -0.3987 0.9331 0.9354 1.7847 1.7854 4.7093 4.7108 10.6055 10.6068 10.7797 10.7801 11.7092 11.7107 k = 0.2913 0.6669 0.3220 ( 3454 PWs) bands (ev): -47.8755 -47.8755 -22.6779 -22.6776 -19.9336 -19.9291 -19.7660 -19.7637 -19.7403 -19.7338 -18.0417 -18.0417 -8.0371 -8.0365 -4.9522 -4.9489 -4.6791 -4.6786 -4.3511 -4.3469 -0.3912 -0.3890 0.9371 0.9393 1.7839 1.7847 4.7219 4.7234 10.6155 10.6173 10.7905 10.7907 11.6489 11.6502 k = 0.3017 0.6726 0.3160 ( 3454 PWs) bands (ev): -47.8756 -47.8756 -22.6774 -22.6772 -19.9340 -19.9295 -19.7665 -19.7641 -19.7405 -19.7340 -18.0421 -18.0421 -8.0416 -8.0410 -4.9447 -4.9414 -4.6770 -4.6765 -4.3536 -4.3494 -0.3816 -0.3793 0.9410 0.9433 1.7832 1.7840 4.7348 4.7362 10.6226 10.6249 10.8001 10.8008 11.5900 11.5910 k = 0.3121 0.6784 0.3100 ( 3452 PWs) bands (ev): -47.8756 -47.8756 -22.6771 -22.6768 -19.9343 -19.9299 -19.7670 -19.7645 -19.7407 -19.7341 -18.0425 -18.0425 -8.0461 -8.0455 -4.9370 -4.9337 -4.6750 -4.6746 -4.3562 -4.3520 -0.3720 -0.3697 0.9449 0.9472 1.7827 1.7835 4.7479 4.7493 10.6270 10.6296 10.8073 10.8087 11.5341 11.5350 k = 0.3226 0.6842 0.3041 ( 3457 PWs) bands (ev): -47.8756 -47.8756 -22.6768 -22.6765 -19.9347 -19.9303 -19.7674 -19.7649 -19.7409 -19.7343 -18.0428 -18.0428 -8.0505 -8.0499 -4.9291 -4.9258 -4.6732 -4.6728 -4.3589 -4.3546 -0.3625 -0.3602 0.9487 0.9510 1.7823 1.7831 4.7612 4.7627 10.6289 10.6318 10.8101 10.8119 11.4837 11.4843 k = 0.3330 0.6900 0.2981 ( 3459 PWs) bands (ev): -47.8756 -47.8756 -22.6766 -22.6763 -19.9350 -19.9307 -19.7679 -19.7653 -19.7410 -19.7344 -18.0431 -18.0431 -8.0549 -8.0543 -4.9210 -4.9177 -4.6716 -4.6712 -4.3615 -4.3573 -0.3531 -0.3508 0.9524 0.9547 1.7819 1.7828 4.7747 4.7761 10.6286 10.6317 10.8056 10.8077 11.4413 11.4416 k = 0.3434 0.6958 0.2921 ( 3461 PWs) bands (ev): -47.8756 -47.8756 -22.6764 -22.6761 -19.9353 -19.9310 -19.7683 -19.7657 -19.7410 -19.7344 -18.0434 -18.0434 -8.0592 -8.0586 -4.9127 -4.9094 -4.6702 -4.6697 -4.3642 -4.3600 -0.3439 -0.3416 0.9559 0.9582 1.7817 1.7825 4.7883 4.7898 10.6263 10.6295 10.7911 10.7935 11.4098 11.4100 k = 0.3538 0.7016 0.2862 ( 3457 PWs) bands (ev): -47.8756 -47.8756 -22.6763 -22.6760 -19.9356 -19.9314 -19.7687 -19.7660 -19.7409 -19.7344 -18.0436 -18.0436 -8.0633 -8.0628 -4.9041 -4.9009 -4.6689 -4.6685 -4.3668 -4.3627 -0.3348 -0.3324 0.9593 0.9616 1.7815 1.7824 4.8021 4.8035 10.6220 10.6253 10.7648 10.7672 11.3914 11.3914 k = 0.3538 0.7016 0.2862 ( 3457 PWs) bands (ev): -47.8756 -47.8756 -22.6763 -22.6760 -19.9356 -19.9314 -19.7687 -19.7660 -19.7409 -19.7344 -18.0436 -18.0436 -8.0633 -8.0628 -4.9041 -4.9009 -4.6689 -4.6685 -4.3668 -4.3627 -0.3348 -0.3324 0.9593 0.9616 1.7815 1.7824 4.8021 4.8035 10.6220 10.6253 10.7648 10.7672 11.3914 11.3914 k = 0.3594 0.6967 0.2751 ( 3453 PWs) bands (ev): -47.8756 -47.8756 -22.6762 -22.6759 -19.9360 -19.9320 -19.7694 -19.7667 -19.7408 -19.7344 -18.0439 -18.0439 -8.0709 -8.0703 -4.8880 -4.8849 -4.6668 -4.6664 -4.3717 -4.3676 -0.3180 -0.3157 0.9652 0.9675 1.7812 1.7820 4.8275 4.8289 10.6101 10.6133 10.7054 10.7078 11.3703 11.3703 k = 0.3650 0.6918 0.2641 ( 3449 PWs) bands (ev): -47.8757 -47.8757 -22.6761 -22.6759 -19.9365 -19.9326 -19.7700 -19.7673 -19.7406 -19.7343 -18.0442 -18.0442 -8.0784 -8.0778 -4.8716 -4.8685 -4.6648 -4.6644 -4.3765 -4.3726 -0.3010 -0.2988 0.9708 0.9731 1.7807 1.7816 4.8532 4.8545 10.5930 10.5960 10.6478 10.6498 11.3498 11.3498 k = 0.3706 0.6869 0.2531 ( 3453 PWs) bands (ev): -47.8757 -47.8757 -22.6761 -22.6759 -19.9370 -19.9333 -19.7707 -19.7680 -19.7405 -19.7343 -18.0445 -18.0445 -8.0858 -8.0852 -4.8549 -4.8519 -4.6630 -4.6626 -4.3813 -4.3775 -0.2840 -0.2818 0.9763 0.9785 1.7801 1.7809 4.8790 4.8802 10.5649 10.5658 10.5998 10.5998 11.3299 11.3300 k = 0.3763 0.6820 0.2421 ( 3455 PWs) bands (ev): -47.8757 -47.8757 -22.6761 -22.6759 -19.9375 -19.9339 -19.7714 -19.7687 -19.7403 -19.7343 -18.0447 -18.0447 -8.0930 -8.0925 -4.8381 -4.8351 -4.6613 -4.6609 -4.3861 -4.3824 -0.2670 -0.2648 0.9815 0.9837 1.7794 1.7802 4.9048 4.9060 10.5143 10.5155 10.5685 10.5705 11.3108 11.3109 k = 0.3819 0.6771 0.2311 ( 3443 PWs) bands (ev): -47.8758 -47.8758 -22.6762 -22.6759 -19.9379 -19.9345 -19.7720 -19.7693 -19.7400 -19.7342 -18.0450 -18.0449 -8.1001 -8.0995 -4.8211 -4.8182 -4.6596 -4.6592 -4.3909 -4.3872 -0.2500 -0.2478 0.9866 0.9888 1.7785 1.7794 4.9305 4.9317 10.4561 10.4577 10.5437 10.5462 11.2925 11.2927 k = 0.3875 0.6722 0.2201 ( 3435 PWs) bands (ev): -47.8758 -47.8758 -22.6762 -22.6760 -19.9384 -19.9351 -19.7726 -19.7699 -19.7398 -19.7341 -18.0451 -18.0451 -8.1070 -8.1065 -4.8041 -4.8013 -4.6580 -4.6576 -4.3955 -4.3920 -0.2331 -0.2310 0.9914 0.9935 1.7776 1.7784 4.9561 4.9572 10.3968 10.3984 10.5191 10.5216 11.2751 11.2753 k = 0.3931 0.6673 0.2091 ( 3431 PWs) bands (ev): -47.8758 -47.8758 -22.6763 -22.6761 -19.9388 -19.9358 -19.7732 -19.7706 -19.7395 -19.7341 -18.0453 -18.0453 -8.1137 -8.1132 -4.7873 -4.7845 -4.6565 -4.6562 -4.4001 -4.3966 -0.2164 -0.2143 0.9960 0.9980 1.7766 1.7774 4.9813 4.9824 10.3375 10.3391 10.4939 10.4964 11.2545 11.2561 k = 0.3988 0.6624 0.1981 ( 3435 PWs) bands (ev): -47.8758 -47.8758 -22.6764 -22.6762 -19.9393 -19.9364 -19.7737 -19.7712 -19.7392 -19.7341 -18.0455 -18.0454 -8.1202 -8.1197 -4.7706 -4.7679 -4.6552 -4.6548 -4.4045 -4.4012 -0.2001 -0.1980 1.0003 1.0023 1.7755 1.7763 5.0061 5.0071 10.2789 10.2804 10.4682 10.4706 11.2004 11.2027 k = 0.4044 0.6575 0.1871 ( 3439 PWs) bands (ev): -47.8759 -47.8759 -22.6765 -22.6763 -19.9398 -19.9371 -19.7743 -19.7719 -19.7390 -19.7340 -18.0456 -18.0456 -8.1265 -8.1260 -4.7542 -4.7516 -4.6539 -4.6535 -4.4089 -4.4056 -0.1840 -0.1820 1.0044 1.0063 1.7744 1.7752 5.0304 5.0314 10.2212 10.2226 10.4423 10.4445 11.1478 11.1500 k = 0.4100 0.6526 0.1761 ( 3431 PWs) bands (ev): -47.8759 -47.8759 -22.6766 -22.6764 -19.9402 -19.9377 -19.7748 -19.7724 -19.7386 -19.7339 -18.0457 -18.0457 -8.1325 -8.1320 -4.7382 -4.7356 -4.6527 -4.6524 -4.4130 -4.4099 -0.1684 -0.1665 1.0083 1.0102 1.7732 1.7740 5.0541 5.0550 10.1648 10.1661 10.4165 10.4185 11.0977 11.0997 k = 0.4156 0.6477 0.1651 ( 3431 PWs) bands (ev): -47.8759 -47.8759 -22.6767 -22.6766 -19.9407 -19.9383 -19.7753 -19.7730 -19.7383 -19.7339 -18.0458 -18.0458 -8.1382 -8.1378 -4.7225 -4.7200 -4.6516 -4.6513 -4.4171 -4.4140 -0.1532 -0.1514 1.0119 1.0137 1.7721 1.7728 5.0771 5.0779 10.1100 10.1112 10.3910 10.3929 11.0500 11.0519 k = 0.4213 0.6428 0.1541 ( 3427 PWs) bands (ev): -47.8759 -47.8759 -22.6769 -22.6767 -19.9411 -19.9388 -19.7757 -19.7736 -19.7380 -19.7338 -18.0459 -18.0459 -8.1437 -8.1433 -4.7074 -4.7049 -4.6506 -4.6502 -4.4209 -4.4180 -0.1387 -0.1369 1.0153 1.0170 1.7709 1.7716 5.0992 5.1000 10.0571 10.0581 10.3661 10.3679 11.0049 11.0066 k = 0.4269 0.6379 0.1431 ( 3427 PWs) bands (ev): -47.8760 -47.8760 -22.6770 -22.6769 -19.9415 -19.9394 -19.7761 -19.7741 -19.7377 -19.7338 -18.0459 -18.0459 -8.1488 -8.1484 -4.6929 -4.6905 -4.6496 -4.6493 -4.4246 -4.4218 -0.1248 -0.1231 1.0185 1.0201 1.7698 1.7704 5.1204 5.1211 10.0064 10.0073 10.3421 10.3437 10.9624 10.9641 k = 0.4325 0.6330 0.1321 ( 3427 PWs) bands (ev): -47.8760 -47.8760 -22.6772 -22.6770 -19.9419 -19.9400 -19.7765 -19.7746 -19.7374 -19.7337 -18.0460 -18.0460 -8.1537 -8.1533 -4.6792 -4.6768 -4.6487 -4.6484 -4.4280 -4.4253 -0.1116 -0.1100 1.0214 1.0229 1.7686 1.7692 5.1405 5.1412 9.9582 9.9590 10.3192 10.3207 10.9227 10.9243 k = 0.4381 0.6281 0.1211 ( 3429 PWs) bands (ev): -47.8760 -47.8760 -22.6773 -22.6772 -19.9423 -19.9405 -19.7769 -19.7751 -19.7371 -19.7337 -18.0460 -18.0460 -8.1582 -8.1578 -4.6663 -4.6640 -4.6479 -4.6475 -4.4313 -4.4287 -0.0991 -0.0977 1.0240 1.0255 1.7675 1.7681 5.1595 5.1601 9.9127 9.9135 10.2975 10.2988 10.8859 10.8873 k = 0.4438 0.6232 0.1101 ( 3429 PWs) bands (ev): -47.8760 -47.8760 -22.6774 -22.6773 -19.9426 -19.9410 -19.7772 -19.7756 -19.7368 -19.7337 -18.0460 -18.0460 -8.1623 -8.1620 -4.6546 -4.6524 -4.6466 -4.6463 -4.4343 -4.4319 -0.0876 -0.0862 1.0265 1.0278 1.7665 1.7670 5.1772 5.1778 9.8704 9.8711 10.2772 10.2784 10.8520 10.8533 k = 0.4494 0.6183 0.0991 ( 3421 PWs) bands (ev): -47.8760 -47.8760 -22.6776 -22.6774 -19.9429 -19.9414 -19.7774 -19.7759 -19.7364 -19.7337 -18.0461 -18.0461 -8.1661 -8.1658 -4.6478 -4.6473 -4.6411 -4.6398 -4.4370 -4.4348 -0.0768 -0.0756 1.0287 1.0299 1.7655 1.7660 5.1936 5.1941 9.8313 9.8319 10.2585 10.2595 10.8211 10.8223 k = 0.4550 0.6134 0.0880 ( 3425 PWs) bands (ev): -47.8761 -47.8761 -22.6777 -22.6776 -19.9432 -19.9419 -19.7777 -19.7764 -19.7362 -19.7337 -18.0461 -18.0461 -8.1695 -8.1693 -4.6465 -4.6464 -4.6315 -4.6299 -4.4395 -4.4375 -0.0671 -0.0660 1.0307 1.0318 1.7646 1.7651 5.2085 5.2089 9.7957 9.7962 10.2414 10.2423 10.7933 10.7943 k = 0.4606 0.6085 0.0770 ( 3421 PWs) bands (ev): -47.8761 -47.8761 -22.6778 -22.6777 -19.9434 -19.9423 -19.7779 -19.7767 -19.7359 -19.7337 -18.0461 -18.0461 -8.1726 -8.1723 -4.6459 -4.6458 -4.6224 -4.6208 -4.4418 -4.4399 -0.0583 -0.0573 1.0324 1.0334 1.7638 1.7642 5.2219 5.2223 9.7638 9.7643 10.2261 10.2269 10.7686 10.7695 k = 0.4663 0.6036 0.0660 ( 3421 PWs) bands (ev): -47.8761 -47.8761 -22.6779 -22.6778 -19.9436 -19.9426 -19.7781 -19.7770 -19.7356 -19.7337 -18.0461 -18.0461 -8.1752 -8.1750 -4.6454 -4.6453 -4.6143 -4.6128 -4.4437 -4.4420 -0.0506 -0.0498 1.0340 1.0348 1.7631 1.7634 5.2336 5.2340 9.7358 9.7362 10.2127 10.2134 10.7471 10.7479 k = 0.4719 0.5988 0.0550 ( 3421 PWs) bands (ev): -47.8761 -47.8761 -22.6780 -22.6779 -19.9437 -19.9430 -19.7782 -19.7773 -19.7354 -19.7338 -18.0461 -18.0461 -8.1775 -8.1773 -4.6450 -4.6449 -4.6072 -4.6060 -4.4453 -4.4439 -0.0441 -0.0434 1.0353 1.0360 1.7625 1.7628 5.2437 5.2440 9.7119 9.7122 10.2012 10.2018 10.7288 10.7295 k = 0.4775 0.5939 0.0440 ( 3429 PWs) bands (ev): -47.8761 -47.8761 -22.6780 -22.6780 -19.9439 -19.9433 -19.7783 -19.7776 -19.7352 -19.7339 -18.0461 -18.0461 -8.1793 -8.1792 -4.6447 -4.6447 -4.6014 -4.6004 -4.4467 -4.4455 -0.0387 -0.0381 1.0363 1.0369 1.7620 1.7622 5.2520 5.2522 9.6921 9.6923 10.1917 10.1922 10.7138 10.7143 k = 0.4831 0.5890 0.0330 ( 3424 PWs) bands (ev): -47.8761 -47.8761 -22.6781 -22.6780 -19.9440 -19.9435 -19.7783 -19.7778 -19.7349 -19.7340 -18.0461 -18.0461 -8.1808 -8.1807 -4.6445 -4.6444 -4.5967 -4.5959 -4.4477 -4.4468 -0.0343 -0.0339 1.0372 1.0376 1.7616 1.7617 5.2586 5.2587 9.6766 9.6768 10.1843 10.1846 10.7021 10.7025 k = 0.4888 0.5841 0.0220 ( 3420 PWs) bands (ev): -47.8761 -47.8761 -22.6781 -22.6781 -19.9440 -19.9437 -19.7783 -19.7780 -19.7347 -19.7341 -18.0461 -18.0461 -8.1818 -8.1817 -4.6443 -4.6443 -4.5933 -4.5928 -4.4483 -4.4477 -0.0313 -0.0310 1.0378 1.0381 1.7613 1.7614 5.2632 5.2634 9.6655 9.6656 10.1790 10.1792 10.6938 10.6940 k = 0.4944 0.5792 0.0110 ( 3420 PWs) bands (ev): -47.8761 -47.8761 -22.6781 -22.6781 -19.9440 -19.9438 -19.7783 -19.7781 -19.7345 -19.7342 -18.0461 -18.0461 -8.1824 -8.1824 -4.6442 -4.6442 -4.5912 -4.5910 -4.4487 -4.4484 -0.0294 -0.0292 1.0382 1.0384 1.7611 1.7612 5.2661 5.2662 9.6588 9.6589 10.1758 10.1760 10.6888 10.6889 k = 0.5000 0.5743 0.0000 ( 3416 PWs) bands (ev): -47.8761 -47.8761 -22.6781 -22.6781 -19.9439 -19.9439 -19.7782 -19.7782 -19.7343 -19.7343 -18.0461 -18.0461 -8.1826 -8.1826 -4.6442 -4.6442 -4.5904 -4.5904 -4.4487 -4.4487 -0.0286 -0.0286 1.0384 1.0384 1.7611 1.7611 5.2671 5.2671 9.6566 9.6566 10.1748 10.1748 10.6872 10.6872 k = 0.5000 0.5743 0.0000 ( 3416 PWs) bands (ev): -47.8761 -47.8761 -22.6781 -22.6781 -19.9439 -19.9439 -19.7782 -19.7782 -19.7343 -19.7343 -18.0461 -18.0461 -8.1826 -8.1826 -4.6442 -4.6442 -4.5904 -4.5904 -4.4487 -4.4487 -0.0286 -0.0286 1.0384 1.0384 1.7611 1.7611 5.2671 5.2671 9.6566 9.6566 10.1748 10.1748 10.6872 10.6872 k = 0.4911 0.5640 0.0000 ( 3420 PWs) bands (ev): -47.8761 -47.8761 -22.6782 -22.6782 -19.9439 -19.9439 -19.7782 -19.7782 -19.7343 -19.7343 -18.0461 -18.0461 -8.1825 -8.1825 -4.6444 -4.6444 -4.5903 -4.5903 -4.4487 -4.4487 -0.0289 -0.0289 1.0380 1.0380 1.7610 1.7610 5.2667 5.2667 9.6501 9.6501 10.1769 10.1769 10.6890 10.6890 k = 0.4821 0.5538 0.0000 ( 3424 PWs) bands (ev): -47.8761 -47.8761 -22.6784 -22.6784 -19.9438 -19.9438 -19.7781 -19.7781 -19.7343 -19.7343 -18.0459 -18.0459 -8.1820 -8.1820 -4.6449 -4.6449 -4.5898 -4.5898 -4.4487 -4.4487 -0.0295 -0.0295 1.0369 1.0369 1.7607 1.7607 5.2657 5.2657 9.6310 9.6310 10.1828 10.1828 10.6946 10.6946 k = 0.4732 0.5435 0.0000 ( 3416 PWs) bands (ev): -47.8761 -47.8761 -22.6787 -22.6787 -19.9437 -19.9437 -19.7780 -19.7780 -19.7341 -19.7341 -18.0457 -18.0457 -8.1813 -8.1813 -4.6459 -4.6459 -4.5889 -4.5889 -4.4487 -4.4487 -0.0306 -0.0306 1.0350 1.0350 1.7603 1.7603 5.2639 5.2639 9.6007 9.6007 10.1918 10.1918 10.7040 10.7040 k = 0.4643 0.5332 0.0000 ( 3412 PWs) bands (ev): -47.8761 -47.8761 -22.6792 -22.6792 -19.9435 -19.9435 -19.7778 -19.7778 -19.7339 -19.7339 -18.0454 -18.0454 -8.1803 -8.1803 -4.6472 -4.6472 -4.5877 -4.5877 -4.4487 -4.4487 -0.0320 -0.0320 1.0323 1.0323 1.7597 1.7597 5.2615 5.2615 9.5612 9.5612 10.2033 10.2033 10.7171 10.7171 k = 0.4554 0.5230 0.0000 ( 3410 PWs) bands (ev): -47.8761 -47.8761 -22.6797 -22.6797 -19.9432 -19.9432 -19.7775 -19.7775 -19.7337 -19.7337 -18.0450 -18.0450 -8.1789 -8.1789 -4.6489 -4.6489 -4.5862 -4.5862 -4.4487 -4.4487 -0.0339 -0.0339 1.0289 1.0289 1.7588 1.7588 5.2583 5.2583 9.5144 9.5144 10.2165 10.2165 10.7339 10.7339 k = 0.4464 0.5127 0.0000 ( 3414 PWs) bands (ev): -47.8761 -47.8761 -22.6804 -22.6804 -19.9429 -19.9429 -19.7773 -19.7773 -19.7336 -19.7336 -18.0446 -18.0446 -8.1773 -8.1773 -4.6510 -4.6510 -4.5844 -4.5844 -4.4487 -4.4487 -0.0362 -0.0362 1.0247 1.0247 1.7577 1.7577 5.2545 5.2545 9.4619 9.4619 10.2312 10.2312 10.7544 10.7544 k = 0.4375 0.5025 0.0000 ( 3410 PWs) bands (ev): -47.8761 -47.8761 -22.6813 -22.6813 -19.9426 -19.9426 -19.7769 -19.7769 -19.7333 -19.7333 -18.0440 -18.0440 -8.1753 -8.1753 -4.6535 -4.6535 -4.5822 -4.5822 -4.4487 -4.4487 -0.0389 -0.0389 1.0198 1.0198 1.7565 1.7565 5.2501 5.2501 9.4052 9.4052 10.2472 10.2472 10.7785 10.7785 k = 0.4286 0.4922 0.0000 ( 3410 PWs) bands (ev): -47.8761 -47.8761 -22.6822 -22.6822 -19.9422 -19.9422 -19.7765 -19.7765 -19.7330 -19.7330 -18.0434 -18.0434 -8.1731 -8.1731 -4.6563 -4.6563 -4.5797 -4.5797 -4.4488 -4.4488 -0.0420 -0.0420 1.0141 1.0141 1.7549 1.7549 5.2450 5.2450 9.3454 9.3454 10.2643 10.2643 10.8063 10.8063 k = 0.4196 0.4820 0.0000 ( 3418 PWs) bands (ev): -47.8761 -47.8761 -22.6832 -22.6832 -19.9418 -19.9418 -19.7762 -19.7762 -19.7327 -19.7327 -18.0427 -18.0427 -8.1705 -8.1705 -4.6595 -4.6595 -4.5769 -4.5769 -4.4488 -4.4488 -0.0455 -0.0455 1.0079 1.0079 1.7531 1.7531 5.2392 5.2392 9.2836 9.2836 10.2828 10.2828 10.8378 10.8378 k = 0.4107 0.4717 0.0000 ( 3420 PWs) bands (ev): -47.8762 -47.8762 -22.6844 -22.6844 -19.9414 -19.9414 -19.7757 -19.7757 -19.7323 -19.7323 -18.0419 -18.0419 -8.1676 -8.1676 -4.6630 -4.6630 -4.5738 -4.5738 -4.4489 -4.4489 -0.0493 -0.0493 1.0009 1.0009 1.7509 1.7509 5.2329 5.2329 9.2204 9.2204 10.3025 10.3025 10.8728 10.8728 k = 0.4018 0.4615 0.0000 ( 3414 PWs) bands (ev): -47.8761 -47.8761 -22.6856 -22.6856 -19.9409 -19.9409 -19.7752 -19.7752 -19.7319 -19.7319 -18.0410 -18.0410 -8.1644 -8.1644 -4.6668 -4.6668 -4.5703 -4.5703 -4.4490 -4.4490 -0.0534 -0.0534 0.9933 0.9933 1.7486 1.7486 5.2260 5.2260 9.1564 9.1564 10.3238 10.3238 10.9113 10.9113 k = 0.3929 0.4512 0.0000 ( 3412 PWs) bands (ev): -47.8762 -47.8762 -22.6869 -22.6869 -19.9404 -19.9404 -19.7747 -19.7747 -19.7315 -19.7315 -18.0400 -18.0400 -8.1609 -8.1609 -4.6710 -4.6710 -4.5666 -4.5666 -4.4491 -4.4491 -0.0579 -0.0579 0.9852 0.9852 1.7457 1.7457 5.2185 5.2185 9.0921 9.0921 10.3465 10.3465 10.9533 10.9533 k = 0.3839 0.4410 0.0000 ( 3412 PWs) bands (ev): -47.8762 -47.8762 -22.6883 -22.6883 -19.9398 -19.9398 -19.7742 -19.7742 -19.7311 -19.7311 -18.0390 -18.0390 -8.1570 -8.1570 -4.6754 -4.6754 -4.5626 -4.5626 -4.4493 -4.4493 -0.0628 -0.0628 0.9765 0.9765 1.7426 1.7426 5.2105 5.2105 9.0279 9.0279 10.3709 10.3709 10.9988 10.9988 k = 0.3750 0.4307 0.0000 ( 3412 PWs) bands (ev): -47.8762 -47.8762 -22.6898 -22.6898 -19.9392 -19.9392 -19.7736 -19.7736 -19.7307 -19.7307 -18.0379 -18.0379 -8.1528 -8.1528 -4.6802 -4.6802 -4.5584 -4.5584 -4.4494 -4.4494 -0.0679 -0.0679 0.9672 0.9672 1.7392 1.7392 5.2020 5.2020 8.9641 8.9641 10.3970 10.3970 11.0477 11.0477 k = 0.3661 0.4204 0.0000 ( 3416 PWs) bands (ev): -47.8762 -47.8762 -22.6913 -22.6913 -19.9387 -19.9387 -19.7730 -19.7730 -19.7302 -19.7302 -18.0367 -18.0367 -8.1482 -8.1482 -4.6852 -4.6852 -4.5539 -4.5539 -4.4497 -4.4497 -0.0734 -0.0734 0.9574 0.9574 1.7353 1.7353 5.1930 5.1930 8.9010 8.9010 10.4249 10.4249 11.1000 11.1000 k = 0.3571 0.4102 0.0000 ( 3424 PWs) bands (ev): -47.8762 -47.8762 -22.6929 -22.6929 -19.9381 -19.9381 -19.7725 -19.7725 -19.7298 -19.7298 -18.0355 -18.0355 -8.1434 -8.1434 -4.6905 -4.6905 -4.5492 -4.5492 -4.4499 -4.4499 -0.0791 -0.0791 0.9471 0.9471 1.7309 1.7309 5.1835 5.1835 8.8388 8.8388 10.4546 10.4546 11.1555 11.1555 k = 0.3482 0.3999 0.0000 ( 3420 PWs) bands (ev): -47.8762 -47.8762 -22.6946 -22.6946 -19.9374 -19.9374 -19.7718 -19.7718 -19.7294 -19.7294 -18.0342 -18.0342 -8.1381 -8.1381 -4.6961 -4.6961 -4.5442 -4.5442 -4.4502 -4.4502 -0.0851 -0.0851 0.9365 0.9365 1.7262 1.7262 5.1736 5.1736 8.7777 8.7777 10.4862 10.4862 11.2143 11.2143 k = 0.3393 0.3897 0.0000 ( 3416 PWs) bands (ev): -47.8762 -47.8762 -22.6963 -22.6963 -19.9368 -19.9368 -19.7712 -19.7712 -19.7289 -19.7289 -18.0328 -18.0328 -8.1326 -8.1326 -4.7018 -4.7018 -4.5390 -4.5390 -4.4505 -4.4505 -0.0913 -0.0913 0.9254 0.9254 1.7210 1.7210 5.1633 5.1633 8.7178 8.7178 10.5198 10.5198 11.2762 11.2762 k = 0.3304 0.3794 0.0000 ( 3432 PWs) bands (ev): -47.8762 -47.8762 -22.6980 -22.6980 -19.9362 -19.9362 -19.7706 -19.7706 -19.7286 -19.7286 -18.0314 -18.0314 -8.1267 -8.1267 -4.7078 -4.7078 -4.5337 -4.5337 -4.4509 -4.4509 -0.0977 -0.0977 0.9140 0.9140 1.7152 1.7152 5.1526 5.1526 8.6592 8.6592 10.5553 10.5553 11.3413 11.3413 k = 0.3214 0.3692 0.0000 ( 3436 PWs) bands (ev): -47.8763 -47.8763 -22.6998 -22.6998 -19.9356 -19.9356 -19.7700 -19.7700 -19.7281 -19.7281 -18.0300 -18.0300 -8.1205 -8.1205 -4.7140 -4.7140 -4.5281 -4.5281 -4.4513 -4.4513 -0.1043 -0.1043 0.9023 0.9023 1.7090 1.7090 5.1416 5.1416 8.6021 8.6021 10.5928 10.5928 11.4093 11.4093 k = 0.3125 0.3589 0.0000 ( 3448 PWs) bands (ev): -47.8763 -47.8763 -22.7016 -22.7016 -19.9349 -19.9349 -19.7694 -19.7694 -19.7278 -19.7278 -18.0285 -18.0285 -8.1139 -8.1139 -4.7203 -4.7203 -4.5225 -4.5225 -4.4518 -4.4518 -0.1112 -0.1112 0.8902 0.8902 1.7023 1.7023 5.1303 5.1303 8.5466 8.5466 10.6323 10.6323 11.4804 11.4804 k = 0.3036 0.3487 0.0000 ( 3456 PWs) bands (ev): -47.8763 -47.8763 -22.7034 -22.7034 -19.9343 -19.9343 -19.7688 -19.7688 -19.7275 -19.7275 -18.0269 -18.0269 -8.1071 -8.1071 -4.7269 -4.7269 -4.5166 -4.5166 -4.4522 -4.4522 -0.1181 -0.1181 0.8780 0.8780 1.6951 1.6951 5.1188 5.1188 8.4927 8.4927 10.6738 10.6738 11.5543 11.5543 k = 0.2946 0.3384 0.0000 ( 3448 PWs) bands (ev): -47.8763 -47.8763 -22.7052 -22.7052 -19.9337 -19.9337 -19.7682 -19.7682 -19.7271 -19.7271 -18.0253 -18.0253 -8.0999 -8.0999 -4.7335 -4.7335 -4.5107 -4.5107 -4.4527 -4.4527 -0.1252 -0.1252 0.8656 0.8656 1.6874 1.6874 5.1071 5.1071 8.4405 8.4405 10.7173 10.7173 11.6310 11.6310 k = 0.2857 0.3282 0.0000 ( 3444 PWs) bands (ev): -47.8763 -47.8763 -22.7069 -22.7069 -19.9330 -19.9330 -19.7675 -19.7675 -19.7267 -19.7267 -18.0236 -18.0236 -8.0924 -8.0924 -4.7402 -4.7402 -4.5046 -4.5046 -4.4533 -4.4533 -0.1323 -0.1323 0.8531 0.8531 1.6792 1.6792 5.0951 5.0951 8.3901 8.3901 10.7628 10.7628 11.7104 11.7104 k = 0.2768 0.3179 0.0000 ( 3450 PWs) bands (ev): -47.8763 -47.8763 -22.7087 -22.7087 -19.9324 -19.9324 -19.7669 -19.7669 -19.7265 -19.7265 -18.0220 -18.0220 -8.0847 -8.0847 -4.7471 -4.7471 -4.4985 -4.4985 -4.4539 -4.4538 -0.1396 -0.1396 0.8404 0.8404 1.6704 1.6704 5.0831 5.0831 8.3415 8.3415 10.8103 10.8103 11.7925 11.7925 k = 0.2679 0.3076 0.0000 ( 3448 PWs) bands (ev): -47.8763 -47.8763 -22.7105 -22.7105 -19.9318 -19.9318 -19.7663 -19.7663 -19.7262 -19.7262 -18.0203 -18.0203 -8.0766 -8.0766 -4.7540 -4.7540 -4.4923 -4.4923 -4.4544 -4.4544 -0.1468 -0.1468 0.8277 0.8277 1.6612 1.6612 5.0709 5.0709 8.2947 8.2947 10.8598 10.8598 11.8770 11.8770 k = 0.2589 0.2974 0.0000 ( 3448 PWs) bands (ev): -47.8763 -47.8763 -22.7122 -22.7122 -19.9312 -19.9312 -19.7657 -19.7657 -19.7260 -19.7260 -18.0185 -18.0185 -8.0684 -8.0684 -4.7610 -4.7610 -4.4861 -4.4861 -4.4549 -4.4549 -0.1541 -0.1541 0.8149 0.8149 1.6515 1.6515 5.0587 5.0587 8.2498 8.2498 10.9111 10.9111 11.9640 11.9640 k = 0.2500 0.2871 0.0000 ( 3448 PWs) bands (ev): -47.8764 -47.8764 -22.7140 -22.7140 -19.9306 -19.9306 -19.7651 -19.7651 -19.7258 -19.7258 -18.0168 -18.0168 -8.0599 -8.0599 -4.7680 -4.7680 -4.4800 -4.4800 -4.4554 -4.4554 -0.1615 -0.1615 0.8022 0.8022 1.6413 1.6413 5.0464 5.0464 8.2068 8.2068 10.9643 10.9643 12.0532 12.0532 k = 0.2411 0.2769 0.0000 ( 3444 PWs) bands (ev): -47.8764 -47.8764 -22.7156 -22.7156 -19.9300 -19.9300 -19.7644 -19.7644 -19.7257 -19.7257 -18.0150 -18.0150 -8.0513 -8.0513 -4.7750 -4.7750 -4.4741 -4.4741 -4.4557 -4.4557 -0.1688 -0.1688 0.7895 0.7895 1.6308 1.6308 5.0342 5.0342 8.1657 8.1657 11.0193 11.0193 12.1447 12.1447 k = 0.2321 0.2666 0.0000 ( 3444 PWs) bands (ev): -47.8764 -47.8764 -22.7173 -22.7173 -19.9295 -19.9295 -19.7639 -19.7639 -19.7256 -19.7256 -18.0133 -18.0133 -8.0424 -8.0424 -4.7819 -4.7819 -4.4687 -4.4687 -4.4554 -4.4554 -0.1761 -0.1761 0.7769 0.7769 1.6198 1.6198 5.0219 5.0219 8.1265 8.1265 11.0760 11.0760 12.2382 12.2382 k = 0.2232 0.2564 0.0000 ( 3446 PWs) bands (ev): -47.8764 -47.8764 -22.7189 -22.7189 -19.9290 -19.9290 -19.7633 -19.7633 -19.7256 -19.7256 -18.0115 -18.0115 -8.0335 -8.0335 -4.7889 -4.7889 -4.4648 -4.4648 -4.4538 -4.4538 -0.1833 -0.1833 0.7645 0.7645 1.6085 1.6085 5.0098 5.0098 8.0892 8.0892 11.1343 11.1343 12.3337 12.3337 k = 0.2143 0.2461 0.0000 ( 3452 PWs) bands (ev): -47.8764 -47.8764 -22.7204 -22.7204 -19.9285 -19.9285 -19.7628 -19.7628 -19.7256 -19.7256 -18.0097 -18.0097 -8.0244 -8.0244 -4.7958 -4.7958 -4.4631 -4.4631 -4.4500 -4.4500 -0.1904 -0.1904 0.7522 0.7522 1.5969 1.5969 4.9977 4.9977 8.0538 8.0538 11.1942 11.1942 12.4309 12.4309 k = 0.2054 0.2359 0.0000 ( 3448 PWs) bands (ev): -47.8764 -47.8764 -22.7219 -22.7219 -19.9281 -19.9281 -19.7622 -19.7622 -19.7256 -19.7256 -18.0080 -18.0080 -8.0153 -8.0153 -4.8026 -4.8026 -4.4629 -4.4629 -4.4449 -4.4449 -0.1975 -0.1975 0.7401 0.7401 1.5850 1.5850 4.9859 4.9859 8.0203 8.0203 11.2555 11.2555 12.5298 12.5298 k = 0.1964 0.2256 0.0000 ( 3452 PWs) bands (ev): -47.8764 -47.8764 -22.7234 -22.7234 -19.9276 -19.9276 -19.7617 -19.7617 -19.7257 -19.7257 -18.0063 -18.0063 -8.0061 -8.0061 -4.8093 -4.8093 -4.4633 -4.4633 -4.4392 -4.4392 -0.2044 -0.2044 0.7283 0.7283 1.5729 1.5729 4.9743 4.9743 7.9887 7.9887 11.3181 11.3181 12.6302 12.6302 k = 0.1875 0.2154 0.0000 ( 3448 PWs) bands (ev): -47.8764 -47.8764 -22.7248 -22.7248 -19.9272 -19.9272 -19.7612 -19.7612 -19.7258 -19.7258 -18.0046 -18.0046 -7.9970 -7.9970 -4.8159 -4.8159 -4.4639 -4.4639 -4.4334 -4.4334 -0.2111 -0.2111 0.7167 0.7167 1.5607 1.5607 4.9628 4.9628 7.9589 7.9589 11.3819 11.3819 12.7318 12.7318 k = 0.1786 0.2051 0.0000 ( 3452 PWs) bands (ev): -47.8764 -47.8764 -22.7261 -22.7261 -19.9269 -19.9269 -19.7607 -19.7607 -19.7260 -19.7260 -18.0029 -18.0029 -7.9878 -7.9878 -4.8223 -4.8223 -4.4647 -4.4647 -4.4276 -4.4276 -0.2177 -0.2177 0.7055 0.7055 1.5484 1.5484 4.9517 4.9517 7.9310 7.9310 11.4468 11.4468 12.8345 12.8345 k = 0.1696 0.1948 0.0000 ( 3454 PWs) bands (ev): -47.8765 -47.8765 -22.7274 -22.7274 -19.9265 -19.9265 -19.7603 -19.7603 -19.7261 -19.7261 -18.0012 -18.0012 -7.9788 -7.9788 -4.8286 -4.8286 -4.4654 -4.4654 -4.4219 -4.4219 -0.2241 -0.2241 0.6946 0.6946 1.5361 1.5361 4.9408 4.9408 7.9048 7.9048 11.5125 11.5125 12.9379 12.9379 k = 0.1607 0.1846 0.0000 ( 3454 PWs) bands (ev): -47.8765 -47.8765 -22.7286 -22.7286 -19.9262 -19.9262 -19.7598 -19.7598 -19.7263 -19.7263 -17.9996 -17.9996 -7.9699 -7.9699 -4.8347 -4.8347 -4.4663 -4.4663 -4.4163 -4.4163 -0.2304 -0.2304 0.6840 0.6840 1.5238 1.5238 4.9303 4.9303 7.8803 7.8803 11.5788 11.5788 13.0420 13.0420 k = 0.1518 0.1743 0.0000 ( 3452 PWs) bands (ev): -47.8765 -47.8765 -22.7297 -22.7297 -19.9259 -19.9259 -19.7594 -19.7594 -19.7265 -19.7265 -17.9981 -17.9981 -7.9612 -7.9612 -4.8405 -4.8405 -4.4671 -4.4671 -4.4109 -4.4109 -0.2363 -0.2363 0.6739 0.6739 1.5116 1.5116 4.9202 4.9202 7.8576 7.8576 11.6457 11.6457 13.1463 13.1463 k = 0.1429 0.1641 0.0000 ( 3452 PWs) bands (ev): -47.8765 -47.8765 -22.7308 -22.7308 -19.9256 -19.9256 -19.7590 -19.7590 -19.7268 -19.7268 -17.9966 -17.9966 -7.9526 -7.9526 -4.8462 -4.8462 -4.4679 -4.4679 -4.4056 -4.4056 -0.2421 -0.2421 0.6642 0.6642 1.4996 1.4996 4.9104 4.9104 7.8365 7.8365 11.7128 11.7128 13.2504 13.2504 k = 0.1339 0.1538 0.0000 ( 3458 PWs) bands (ev): -47.8765 -47.8765 -22.7318 -22.7318 -19.9254 -19.9254 -19.7587 -19.7587 -19.7270 -19.7270 -17.9952 -17.9952 -7.9444 -7.9444 -4.8516 -4.8516 -4.4688 -4.4688 -4.4006 -4.4006 -0.2475 -0.2475 0.6550 0.6550 1.4879 1.4879 4.9011 4.9011 7.8170 7.8170 11.7798 11.7798 13.3540 13.3540 k = 0.1250 0.1436 0.0000 ( 3462 PWs) bands (ev): -47.8765 -47.8765 -22.7327 -22.7327 -19.9252 -19.9252 -19.7584 -19.7584 -19.7273 -19.7273 -17.9938 -17.9938 -7.9364 -7.9364 -4.8567 -4.8567 -4.4696 -4.4696 -4.3958 -4.3958 -0.2528 -0.2528 0.6462 0.6462 1.4765 1.4765 4.8922 4.8922 7.7991 7.7991 11.8466 11.8466 13.4564 13.4564 k = 0.1161 0.1333 0.0000 ( 3456 PWs) bands (ev): -47.8765 -47.8765 -22.7336 -22.7336 -19.9250 -19.9250 -19.7580 -19.7580 -19.7275 -19.7275 -17.9925 -17.9925 -7.9287 -7.9287 -4.8616 -4.8616 -4.4703 -4.4703 -4.3913 -4.3913 -0.2577 -0.2577 0.6379 0.6379 1.4655 1.4655 4.8839 4.8839 7.7827 7.7827 11.9127 11.9127 13.5572 13.5572 k = 0.1071 0.1231 0.0000 ( 3452 PWs) bands (ev): -47.8765 -47.8765 -22.7344 -22.7344 -19.9248 -19.9248 -19.7577 -19.7577 -19.7277 -19.7277 -17.9912 -17.9912 -7.9214 -7.9214 -4.8662 -4.8662 -4.4711 -4.4711 -4.3870 -4.3870 -0.2623 -0.2623 0.6302 0.6302 1.4550 1.4550 4.8760 4.8760 7.7677 7.7677 11.9777 11.9777 13.6554 13.6554 k = 0.0982 0.1128 0.0000 ( 3448 PWs) bands (ev): -47.8765 -47.8765 -22.7352 -22.7352 -19.9247 -19.9247 -19.7574 -19.7574 -19.7280 -19.7280 -17.9901 -17.9901 -7.9146 -7.9146 -4.8704 -4.8704 -4.4717 -4.4717 -4.3830 -4.3830 -0.2666 -0.2666 0.6230 0.6230 1.4450 1.4450 4.8687 4.8687 7.7542 7.7542 12.0414 12.0414 13.7501 13.7501 k = 0.0893 0.1025 0.0000 ( 3456 PWs) bands (ev): -47.8765 -47.8765 -22.7359 -22.7359 -19.9246 -19.9246 -19.7572 -19.7572 -19.7282 -19.7282 -17.9890 -17.9890 -7.9082 -7.9082 -4.8744 -4.8744 -4.4724 -4.4724 -4.3793 -4.3793 -0.2705 -0.2705 0.6164 0.6164 1.4357 1.4357 4.8620 4.8620 7.7421 7.7421 12.1031 12.1031 13.8400 13.8400 k = 0.0804 0.0923 0.0000 ( 3464 PWs) bands (ev): -47.8765 -47.8765 -22.7365 -22.7365 -19.9245 -19.9245 -19.7570 -19.7570 -19.7285 -19.7285 -17.9880 -17.9880 -7.9023 -7.9023 -4.8780 -4.8780 -4.4731 -4.4731 -4.3759 -4.3759 -0.2742 -0.2742 0.6103 0.6103 1.4270 1.4270 4.8558 4.8558 7.7312 7.7312 12.1623 12.1623 13.8614 13.8614 k = 0.0714 0.0820 0.0000 ( 3464 PWs) bands (ev): -47.8766 -47.8766 -22.7370 -22.7370 -19.9244 -19.9244 -19.7568 -19.7568 -19.7287 -19.7287 -17.9871 -17.9871 -7.8969 -7.8969 -4.8813 -4.8813 -4.4736 -4.4736 -4.3728 -4.3728 -0.2774 -0.2774 0.6048 0.6048 1.4191 1.4191 4.8502 4.8502 7.7216 7.7216 12.2184 12.2184 13.8523 13.8523 k = 0.0625 0.0718 0.0000 ( 3466 PWs) bands (ev): -47.8766 -47.8766 -22.7375 -22.7375 -19.9243 -19.9243 -19.7567 -19.7567 -19.7289 -19.7289 -17.9864 -17.9864 -7.8921 -7.8921 -4.8842 -4.8842 -4.4741 -4.4741 -4.3700 -4.3700 -0.2804 -0.2804 0.6000 0.6000 1.4119 1.4119 4.8452 4.8452 7.7133 7.7133 12.2708 12.2708 13.8419 13.8419 k = 0.0536 0.0615 0.0000 ( 3466 PWs) bands (ev): -47.8766 -47.8766 -22.7379 -22.7379 -19.9243 -19.9243 -19.7565 -19.7565 -19.7291 -19.7291 -17.9857 -17.9857 -7.8878 -7.8878 -4.8867 -4.8867 -4.4745 -4.4745 -4.3676 -4.3676 -0.2829 -0.2829 0.5958 0.5958 1.4057 1.4057 4.8408 4.8408 7.7061 7.7061 12.3186 12.3186 13.8307 13.8307 k = 0.0446 0.0513 0.0000 ( 3466 PWs) bands (ev): -47.8766 -47.8766 -22.7382 -22.7382 -19.9242 -19.9242 -19.7564 -19.7564 -19.7293 -19.7293 -17.9851 -17.9851 -7.8842 -7.8842 -4.8889 -4.8889 -4.4749 -4.4749 -4.3656 -4.3656 -0.2851 -0.2851 0.5922 0.5922 1.4002 1.4002 4.8371 4.8371 7.7001 7.7001 12.3611 12.3611 13.8194 13.8194 k = 0.0357 0.0410 0.0000 ( 3473 PWs) bands (ev): -47.8766 -47.8766 -22.7385 -22.7385 -19.9242 -19.9242 -19.7563 -19.7563 -19.7294 -19.7294 -17.9846 -17.9846 -7.8812 -7.8812 -4.8907 -4.8907 -4.4752 -4.4752 -4.3639 -4.3639 -0.2868 -0.2868 0.5892 0.5892 1.3958 1.3958 4.8341 4.8341 7.6953 7.6953 12.3975 12.3975 13.8089 13.8089 k = 0.0268 0.0308 0.0000 ( 3469 PWs) bands (ev): -47.8766 -47.8766 -22.7388 -22.7388 -19.9242 -19.9242 -19.7562 -19.7562 -19.7294 -19.7294 -17.9842 -17.9842 -7.8788 -7.8788 -4.8921 -4.8921 -4.4754 -4.4754 -4.3625 -4.3625 -0.2882 -0.2882 0.5869 0.5869 1.3923 1.3923 4.8317 4.8317 7.6915 7.6915 12.4268 12.4268 13.7997 13.7997 k = 0.0179 0.0205 0.0000 ( 3469 PWs) bands (ev): -47.8766 -47.8766 -22.7389 -22.7389 -19.9241 -19.9241 -19.7562 -19.7562 -19.7295 -19.7295 -17.9839 -17.9839 -7.8771 -7.8771 -4.8931 -4.8931 -4.4756 -4.4756 -4.3616 -4.3616 -0.2892 -0.2892 0.5852 0.5852 1.3897 1.3897 4.8300 4.8300 7.6889 7.6889 12.4484 12.4484 13.7926 13.7926 k = 0.0089 0.0103 0.0000 ( 3461 PWs) bands (ev): -47.8766 -47.8766 -22.7390 -22.7390 -19.9241 -19.9241 -19.7561 -19.7561 -19.7295 -19.7295 -17.9838 -17.9838 -7.8761 -7.8761 -4.8937 -4.8937 -4.4757 -4.4757 -4.3610 -4.3610 -0.2898 -0.2898 0.5843 0.5843 1.3882 1.3882 4.8290 4.8290 7.6873 7.6873 12.4617 12.4617 13.7881 13.7881 k = 0.0000 0.0000 0.0000 ( 3473 PWs) bands (ev): -47.8766 -47.8766 -22.7390 -22.7390 -19.9241 -19.9241 -19.7562 -19.7562 -19.7296 -19.7296 -17.9837 -17.9837 -7.8758 -7.8758 -4.8939 -4.8939 -4.4757 -4.4757 -4.3609 -4.3609 -0.2900 -0.2900 0.5839 0.5839 1.3877 1.3877 4.8286 4.8286 7.6867 7.6867 12.4661 12.4661 13.7865 13.7865 k = 0.0000 0.0000 0.0000 ( 3473 PWs) bands (ev): -47.8766 -47.8766 -22.7390 -22.7390 -19.9241 -19.9241 -19.7562 -19.7562 -19.7296 -19.7296 -17.9837 -17.9837 -7.8758 -7.8758 -4.8939 -4.8939 -4.4757 -4.4757 -4.3609 -4.3609 -0.2900 -0.2900 0.5839 0.5839 1.3877 1.3877 4.8286 4.8286 7.6867 7.6867 12.4661 12.4661 13.7865 13.7865 k = 0.0085-0.0074 0.0076 ( 3467 PWs) bands (ev): -47.8766 -47.8766 -22.7390 -22.7390 -19.9241 -19.9241 -19.7561 -19.7560 -19.7296 -19.7296 -17.9839 -17.9839 -7.8754 -7.8754 -4.8965 -4.8957 -4.4739 -4.4730 -4.3610 -4.3610 -0.2899 -0.2899 0.5822 0.5827 1.3881 1.3889 4.8291 4.8291 7.6883 7.6885 12.4668 12.4674 13.7710 13.7712 k = 0.0170-0.0148 0.0153 ( 3469 PWs) bands (ev): -47.8766 -47.8766 -22.7389 -22.7389 -19.9240 -19.9240 -19.7560 -19.7559 -19.7296 -19.7296 -17.9846 -17.9845 -7.8741 -7.8741 -4.9035 -4.9019 -4.4678 -4.4660 -4.3615 -4.3615 -0.2895 -0.2895 0.5776 0.5786 1.3901 1.3916 4.8304 4.8304 7.6930 7.6935 12.4694 12.4706 13.7295 13.7299 k = 0.0255-0.0222 0.0229 ( 3465 PWs) bands (ev): -47.8766 -47.8766 -22.7387 -22.7387 -19.9239 -19.9238 -19.7558 -19.7556 -19.7296 -19.7296 -17.9857 -17.9855 -7.8720 -7.8720 -4.9144 -4.9121 -4.4577 -4.4551 -4.3624 -4.3623 -0.2888 -0.2888 0.5702 0.5716 1.3936 1.3959 4.8327 4.8327 7.7010 7.7016 12.4737 12.4756 13.6714 13.6721 k = 0.0340-0.0296 0.0305 ( 3467 PWs) bands (ev): -47.8766 -47.8766 -22.7385 -22.7384 -19.9237 -19.9236 -19.7556 -19.7553 -19.7297 -19.7297 -17.9871 -17.9870 -7.8691 -7.8691 -4.9284 -4.9256 -4.4444 -4.4410 -4.3636 -4.3635 -0.2879 -0.2879 0.5602 0.5619 1.3986 1.4015 4.8358 4.8358 7.7121 7.7130 12.4794 12.4819 13.6039 13.6049 k = 0.0425-0.0370 0.0382 ( 3465 PWs) bands (ev): -47.8766 -47.8766 -22.7382 -22.7381 -19.9234 -19.9233 -19.7552 -19.7549 -19.7297 -19.7297 -17.9890 -17.9888 -7.8655 -7.8654 -4.9449 -4.9416 -4.4285 -4.4246 -4.3650 -4.3649 -0.2867 -0.2867 0.5476 0.5498 1.4049 1.4086 4.8397 4.8397 7.7262 7.7273 12.4858 12.4890 13.5315 13.5329 k = 0.0510-0.0444 0.0458 ( 3465 PWs) bands (ev): -47.8766 -47.8766 -22.7378 -22.7377 -19.9230 -19.9230 -19.7547 -19.7544 -19.7298 -19.7298 -17.9912 -17.9910 -7.8612 -7.8611 -4.9631 -4.9595 -4.4108 -4.4064 -4.3667 -4.3665 -0.2852 -0.2852 0.5329 0.5353 1.4126 1.4169 4.8445 4.8445 7.7434 7.7447 12.4922 12.4962 13.4567 13.4584 k = 0.0595-0.0518 0.0535 ( 3465 PWs) bands (ev): -47.8766 -47.8766 -22.7373 -22.7373 -19.9226 -19.9226 -19.7542 -19.7539 -19.7299 -19.7298 -17.9938 -17.9935 -7.8563 -7.8562 -4.9826 -4.9787 -4.3923 -4.3874 -4.3682 -4.3680 -0.2835 -0.2834 0.5161 0.5189 1.4214 1.4263 4.8501 4.8501 7.7634 7.7649 12.4978 12.5025 13.3811 13.3833 k = 0.0680-0.0592 0.0611 ( 3465 PWs) bands (ev): -47.8766 -47.8766 -22.7368 -22.7367 -19.9223 -19.9222 -19.7536 -19.7534 -19.7299 -19.7299 -17.9967 -17.9964 -7.8509 -7.8508 -5.0027 -4.9986 -4.3773 -4.3746 -4.3654 -4.3632 -0.2815 -0.2814 0.4976 0.5007 1.4314 1.4368 4.8565 4.8565 7.7861 7.7878 12.5012 12.5067 13.3060 13.3087 k = 0.0765-0.0666 0.0687 ( 3463 PWs) bands (ev): -47.8765 -47.8765 -22.7362 -22.7361 -19.9219 -19.9217 -19.7529 -19.7527 -19.7300 -19.7300 -17.9999 -17.9996 -7.8451 -7.8450 -5.0230 -5.0188 -4.3762 -4.3756 -4.3488 -4.3443 -0.2792 -0.2792 0.4777 0.4810 1.4423 1.4482 4.8636 4.8636 7.8114 7.8133 12.5010 12.5074 13.2322 13.2353 k = 0.0850-0.0740 0.0764 ( 3475 PWs) bands (ev): -47.8766 -47.8766 -22.7356 -22.7355 -19.9215 -19.9212 -19.7522 -19.7521 -19.7302 -19.7302 -18.0034 -18.0031 -7.8389 -7.8388 -5.0433 -5.0390 -4.3788 -4.3784 -4.3289 -4.3239 -0.2767 -0.2766 0.4567 0.4602 1.4541 1.4604 4.8715 4.8715 7.8392 7.8412 12.4955 12.5028 13.1605 13.1640 k = 0.0935-0.0814 0.0840 ( 3479 PWs) bands (ev): -47.8766 -47.8766 -22.7348 -22.7347 -19.9212 -19.9207 -19.7515 -19.7514 -19.7303 -19.7303 -18.0072 -18.0068 -7.8326 -7.8325 -5.0631 -5.0587 -4.3820 -4.3817 -4.3088 -4.3035 -0.2739 -0.2738 0.4349 0.4386 1.4667 1.4734 4.8800 4.8800 7.8692 7.8714 12.4831 12.4911 13.0913 13.0950 k = 0.1020-0.0888 0.0916 ( 3477 PWs) bands (ev): -47.8765 -47.8765 -22.7340 -22.7339 -19.9208 -19.9200 -19.7508 -19.7505 -19.7304 -19.7304 -18.0111 -18.0107 -7.8262 -7.8261 -5.0821 -5.0777 -4.3855 -4.3854 -4.2891 -4.2836 -0.2708 -0.2707 0.4127 0.4165 1.4799 1.4870 4.8892 4.8892 7.9014 7.9038 12.4623 12.4708 13.0247 13.0285 k = 0.1105-0.0962 0.0993 ( 3473 PWs) bands (ev): -47.8765 -47.8765 -22.7332 -22.7331 -19.9204 -19.9194 -19.7501 -19.7496 -19.7305 -19.7305 -18.0152 -18.0148 -7.8198 -7.8197 -5.1002 -5.0957 -4.3894 -4.3893 -4.2700 -4.2644 -0.2674 -0.2674 0.3903 0.3942 1.4938 1.5012 4.8989 4.8990 7.9355 7.9380 12.4320 12.4408 12.9604 12.9640 k = 0.1190-0.1036 0.1069 ( 3469 PWs) bands (ev): -47.8765 -47.8765 -22.7323 -22.7321 -19.9201 -19.9188 -19.7494 -19.7487 -19.7307 -19.7306 -18.0194 -18.0190 -7.8137 -7.8136 -5.1171 -5.1126 -4.3936 -4.3935 -4.2518 -4.2461 -0.2638 -0.2638 0.3680 0.3720 1.5082 1.5160 4.9092 4.9093 7.9714 7.9740 12.3920 12.4008 12.8974 12.9006 k = 0.1275-0.1110 0.1146 ( 3465 PWs) bands (ev): -47.8765 -47.8765 -22.7313 -22.7312 -19.9198 -19.9181 -19.7488 -19.7477 -19.7308 -19.7306 -18.0238 -18.0233 -7.8079 -7.8077 -5.1326 -5.1282 -4.3981 -4.3979 -4.2347 -4.2289 -0.2599 -0.2599 0.3462 0.3503 1.5231 1.5311 4.9201 4.9201 8.0089 8.0117 12.3429 12.3513 12.8346 12.8372 k = 0.1360-0.1184 0.1222 ( 3461 PWs) bands (ev): -47.8765 -47.8765 -22.7302 -22.7301 -19.9195 -19.9174 -19.7481 -19.7468 -19.7309 -19.7307 -18.0281 -18.0277 -7.8025 -7.8024 -5.1466 -5.1421 -4.4027 -4.4026 -4.2187 -4.2129 -0.2558 -0.2557 0.3251 0.3293 1.5383 1.5466 4.9313 4.9314 8.0479 8.0508 12.2857 12.2937 12.7708 12.7726 k = 0.1445-0.1258 0.1298 ( 3467 PWs) bands (ev): -47.8765 -47.8765 -22.7292 -22.7290 -19.9193 -19.9169 -19.7476 -19.7459 -19.7311 -19.7308 -18.0325 -18.0322 -7.7978 -7.7977 -5.1588 -5.1544 -4.4076 -4.4075 -4.2040 -4.1982 -0.2514 -0.2513 0.3050 0.3093 1.5538 1.5623 4.9429 4.9430 8.0882 8.0912 12.2219 12.2292 12.7052 12.7064 k = 0.1530-0.1332 0.1375 ( 3467 PWs) bands (ev): -47.8765 -47.8765 -22.7280 -22.7278 -19.9192 -19.9163 -19.7471 -19.7450 -19.7313 -19.7309 -18.0369 -18.0365 -7.7938 -7.7938 -5.1693 -5.1649 -4.4127 -4.4126 -4.1908 -4.1849 -0.2467 -0.2467 0.2862 0.2905 1.5696 1.5783 4.9549 4.9549 8.1296 8.1327 12.1527 12.1594 12.6378 12.6382 k = 0.1615-0.1406 0.1451 ( 3471 PWs) bands (ev): -47.8765 -47.8765 -22.7268 -22.7266 -19.9191 -19.9157 -19.7468 -19.7443 -19.7314 -19.7310 -18.0412 -18.0409 -7.7907 -7.7907 -5.1777 -5.1734 -4.4180 -4.4179 -4.1790 -4.1731 -0.2418 -0.2418 0.2690 0.2734 1.5855 1.5945 4.9671 4.9671 8.1721 8.1752 12.0794 12.0853 12.5684 12.5686 k = 0.1700-0.1480 0.1527 ( 3471 PWs) bands (ev): -47.8765 -47.8765 -22.7255 -22.7253 -19.9191 -19.9152 -19.7465 -19.7435 -19.7316 -19.7310 -18.0454 -18.0451 -7.7886 -7.7886 -5.1842 -5.1799 -4.4234 -4.4233 -4.1689 -4.1629 -0.2367 -0.2366 0.2535 0.2580 1.6016 1.6107 4.9795 4.9796 8.2154 8.2186 12.0028 12.0081 12.4974 12.4981 k = 0.1785-0.1554 0.1604 ( 3475 PWs) bands (ev): -47.8765 -47.8765 -22.7242 -22.7240 -19.9191 -19.9147 -19.7463 -19.7429 -19.7318 -19.7311 -18.0495 -18.0492 -7.7876 -7.7876 -5.1885 -5.1842 -4.4290 -4.4289 -4.1603 -4.1544 -0.2313 -0.2312 0.2401 0.2446 1.6177 1.6270 4.9921 4.9922 8.2595 8.2627 11.9237 11.9284 12.4259 12.4271 k = 0.1870-0.1628 0.1680 ( 3475 PWs) bands (ev): -47.8765 -47.8765 -22.7229 -22.7227 -19.9192 -19.9142 -19.7463 -19.7424 -19.7319 -19.7311 -18.0534 -18.0532 -7.7877 -7.7877 -5.1906 -5.1864 -4.4347 -4.4346 -4.1534 -4.1475 -0.2257 -0.2256 0.2288 0.2335 1.6337 1.6432 5.0049 5.0049 8.3042 8.3075 11.8426 11.8468 12.3544 12.3560 k = 0.1955-0.1702 0.1756 ( 3467 PWs) bands (ev): -47.8764 -47.8764 -22.7214 -22.7212 -19.9194 -19.9138 -19.7463 -19.7420 -19.7320 -19.7310 -18.0570 -18.0569 -7.7891 -7.7891 -5.1905 -5.1864 -4.4405 -4.4404 -4.1482 -4.1423 -0.2198 -0.2198 0.2200 0.2247 1.6497 1.6593 5.0177 5.0177 8.3495 8.3528 11.7601 11.7638 12.2836 12.2855 k = 0.2040-0.1776 0.1833 ( 3471 PWs) bands (ev): -47.8764 -47.8764 -22.7200 -22.7198 -19.9197 -19.9135 -19.7466 -19.7417 -19.7321 -19.7310 -18.0605 -18.0604 -7.7919 -7.7918 -5.1882 -5.1841 -4.4464 -4.4464 -4.1448 -4.1389 -0.2138 -0.2138 0.2136 0.2185 1.6655 1.6753 5.0304 5.0305 8.3953 8.3986 11.6766 11.6798 12.2137 12.2159 k = 0.2125-0.1850 0.1909 ( 3471 PWs) bands (ev): -47.8764 -47.8764 -22.7185 -22.7183 -19.9200 -19.9132 -19.7470 -19.7416 -19.7321 -19.7309 -18.0637 -18.0637 -7.7959 -7.7958 -5.1837 -5.1797 -4.4524 -4.4524 -4.1430 -4.1372 -0.2076 -0.2075 0.2100 0.2149 1.6810 1.6910 5.0432 5.0432 8.4414 8.4446 11.5923 11.5952 12.1452 12.1477 k = 0.2210-0.1924 0.1986 ( 3469 PWs) bands (ev): -47.8764 -47.8764 -22.7170 -22.7168 -19.9204 -19.9130 -19.7475 -19.7416 -19.7322 -19.7308 -18.0666 -18.0666 -7.8013 -7.8012 -5.1770 -5.1731 -4.4585 -4.4584 -4.1429 -4.1371 -0.2012 -0.2011 0.2091 0.2141 1.6963 1.7063 5.0559 5.0559 8.4878 8.4910 11.5076 11.5102 12.0784 12.0811 k = 0.2295-0.1998 0.2062 ( 3469 PWs) bands (ev): -47.8764 -47.8764 -22.7155 -22.7152 -19.9209 -19.9129 -19.7482 -19.7417 -19.7322 -19.7307 -18.0693 -18.0692 -7.8080 -7.8079 -5.1682 -5.1644 -4.4646 -4.4645 -4.1444 -4.1387 -0.1946 -0.1945 0.2110 0.2161 1.7112 1.7213 5.0684 5.0684 8.5344 8.5376 11.4229 11.4252 12.0135 12.0163 k = 0.2380-0.2072 0.2138 ( 3477 PWs) bands (ev): -47.8764 -47.8764 -22.7139 -22.7136 -19.9216 -19.9129 -19.7491 -19.7420 -19.7323 -19.7307 -18.0716 -18.0714 -7.8161 -7.8159 -5.1575 -5.1537 -4.4707 -4.4707 -4.1476 -4.1420 -0.1879 -0.1878 0.2158 0.2210 1.7256 1.7359 5.0807 5.0807 8.5812 8.5844 11.3382 11.3403 11.9506 11.9534 k = 0.2465-0.2146 0.2215 ( 3473 PWs) bands (ev): -47.8764 -47.8764 -22.7123 -22.7120 -19.9222 -19.9129 -19.7500 -19.7424 -19.7323 -19.7306 -18.0736 -18.0734 -7.8254 -7.8252 -5.1448 -5.1411 -4.4769 -4.4768 -4.1522 -4.1467 -0.1810 -0.1810 0.2235 0.2289 1.7395 1.7499 5.0928 5.0928 8.6282 8.6314 11.2539 11.2558 11.8898 11.8927 k = 0.2550-0.2220 0.2291 ( 3461 PWs) bands (ev): -47.8764 -47.8764 -22.7106 -22.7104 -19.9229 -19.9130 -19.7510 -19.7428 -19.7323 -19.7306 -18.0753 -18.0750 -7.8358 -7.8356 -5.1304 -5.1267 -4.4829 -4.4829 -4.1582 -4.1528 -0.1740 -0.1740 0.2341 0.2396 1.7529 1.7634 5.1047 5.1047 8.6754 8.6785 11.1702 11.1720 11.8312 11.8341 k = 0.2635-0.2294 0.2367 ( 3461 PWs) bands (ev): -47.8764 -47.8764 -22.7090 -22.7087 -19.9237 -19.9133 -19.7522 -19.7435 -19.7324 -19.7306 -18.0766 -18.0762 -7.8475 -7.8472 -5.1143 -5.1107 -4.4890 -4.4890 -4.1657 -4.1603 -0.1669 -0.1669 0.2476 0.2532 1.7655 1.7761 5.1162 5.1162 8.7226 8.7256 11.0874 11.0890 11.7748 11.7778 k = 0.2720-0.2368 0.2444 ( 3463 PWs) bands (ev): -47.8763 -47.8763 -22.7074 -22.7071 -19.9245 -19.9136 -19.7536 -19.7442 -19.7325 -19.7307 -18.0776 -18.0772 -7.8602 -7.8599 -5.0967 -5.0931 -4.4951 -4.4950 -4.1743 -4.1691 -0.1598 -0.1598 0.2639 0.2697 1.7774 1.7881 5.1274 5.1274 8.7700 8.7729 11.0055 11.0070 11.7207 11.7236 k = 0.2805-0.2442 0.2520 ( 3451 PWs) bands (ev): -47.8763 -47.8763 -22.7057 -22.7054 -19.9254 -19.9140 -19.7549 -19.7450 -19.7325 -19.7307 -18.0782 -18.0777 -7.8738 -7.8735 -5.0777 -5.0742 -4.5011 -4.5010 -4.1841 -4.1789 -0.1526 -0.1526 0.2830 0.2889 1.7885 1.7993 5.1382 5.1382 8.8175 8.8203 10.9248 10.9263 11.6688 11.6717 k = 0.2890-0.2516 0.2597 ( 3451 PWs) bands (ev): -47.8763 -47.8763 -22.7041 -22.7038 -19.9264 -19.9146 -19.7564 -19.7459 -19.7326 -19.7309 -18.0785 -18.0780 -7.8882 -7.8879 -5.0576 -5.0542 -4.5070 -4.5069 -4.1949 -4.1898 -0.1454 -0.1454 0.3046 0.3107 1.7988 1.8096 5.1486 5.1487 8.8651 8.8678 10.8455 10.8469 11.6192 11.6219 k = 0.2975-0.2590 0.2673 ( 3451 PWs) bands (ev): -47.8763 -47.8763 -22.7024 -22.7022 -19.9274 -19.9152 -19.7579 -19.7470 -19.7327 -19.7310 -18.0785 -18.0779 -7.9034 -7.9031 -5.0365 -5.0331 -4.5128 -4.5127 -4.2066 -4.2016 -0.1381 -0.1381 0.3288 0.3350 1.8080 1.8189 5.1586 5.1587 8.9129 8.9155 10.7677 10.7691 11.5718 11.5744 k = 0.3060-0.2664 0.2749 ( 3443 PWs) bands (ev): -47.8763 -47.8763 -22.7008 -22.7005 -19.9285 -19.9159 -19.7595 -19.7481 -19.7327 -19.7312 -18.0782 -18.0775 -7.9191 -7.9188 -5.0146 -5.0113 -4.5184 -4.5184 -4.2190 -4.2141 -0.1309 -0.1309 0.3554 0.3617 1.8163 1.8272 5.1683 5.1683 8.9609 8.9633 10.6916 10.6930 11.5266 11.5291 k = 0.3145-0.2738 0.2826 ( 3439 PWs) bands (ev): -47.8763 -47.8763 -22.6992 -22.6989 -19.9296 -19.9168 -19.7611 -19.7493 -19.7328 -19.7314 -18.0775 -18.0768 -7.9353 -7.9350 -4.9920 -4.9888 -4.5240 -4.5239 -4.2321 -4.2273 -0.1237 -0.1237 0.3842 0.3907 1.8235 1.8345 5.1774 5.1774 9.0091 9.0114 10.6173 10.6187 11.4835 11.4859 k = 0.3230-0.2812 0.2902 ( 3443 PWs) bands (ev): -47.8763 -47.8763 -22.6976 -22.6973 -19.9307 -19.9178 -19.7628 -19.7506 -19.7329 -19.7316 -18.0766 -18.0759 -7.9519 -7.9515 -4.9690 -4.9658 -4.5294 -4.5294 -4.2456 -4.2410 -0.1166 -0.1166 0.4150 0.4216 1.8296 1.8406 5.1861 5.1861 9.0576 9.0597 10.5451 10.5465 11.4426 11.4448 k = 0.3315-0.2886 0.2978 ( 3445 PWs) bands (ev): -47.8763 -47.8763 -22.6960 -22.6958 -19.9319 -19.9188 -19.7644 -19.7521 -19.7330 -19.7318 -18.0755 -18.0748 -7.9686 -7.9683 -4.9458 -4.9426 -4.5347 -4.5346 -4.2595 -4.2550 -0.1096 -0.1096 0.4477 0.4544 1.8345 1.8455 5.1943 5.1943 9.1064 9.1084 10.4750 10.4765 11.4037 11.4057 k = 0.3400-0.2960 0.3055 ( 3447 PWs) bands (ev): -47.8762 -47.8762 -22.6945 -22.6942 -19.9331 -19.9200 -19.7661 -19.7535 -19.7331 -19.7320 -18.0741 -18.0734 -7.9855 -7.9851 -4.9224 -4.9193 -4.5398 -4.5397 -4.2737 -4.2693 -0.1028 -0.1028 0.4820 0.4888 1.8383 1.8492 5.2020 5.2020 9.1555 9.1573 10.4073 10.4088 11.3668 11.3686 k = 0.3485-0.3034 0.3131 ( 3447 PWs) bands (ev): -47.8762 -47.8762 -22.6930 -22.6928 -19.9343 -19.9212 -19.7677 -19.7551 -19.7332 -19.7322 -18.0726 -18.0718 -8.0023 -8.0019 -4.8991 -4.8961 -4.5447 -4.5446 -4.2879 -4.2836 -0.0961 -0.0961 0.5177 0.5246 1.8408 1.8517 5.2093 5.2093 9.2051 9.2067 10.3421 10.3437 11.3320 11.3335 k = 0.3570-0.3108 0.3207 ( 3445 PWs) bands (ev): -47.8762 -47.8762 -22.6916 -22.6913 -19.9355 -19.9225 -19.7692 -19.7566 -19.7333 -19.7324 -18.0709 -18.0701 -8.0189 -8.0185 -4.8761 -4.8730 -4.5494 -4.5494 -4.3022 -4.2980 -0.0895 -0.0895 0.5546 0.5616 1.8420 1.8528 5.2160 5.2161 9.2550 9.2564 10.2797 10.2813 11.2989 11.3002 k = 0.3655-0.3182 0.3284 ( 3441 PWs) bands (ev): -47.8762 -47.8762 -22.6902 -22.6899 -19.9366 -19.9239 -19.7707 -19.7582 -19.7334 -19.7326 -18.0690 -18.0682 -8.0352 -8.0348 -4.8534 -4.8504 -4.5539 -4.5539 -4.3163 -4.3122 -0.0832 -0.0832 0.5924 0.5995 1.8420 1.8527 5.2223 5.2224 9.3053 9.3066 10.2202 10.2219 11.2677 11.2687 k = 0.3740-0.3256 0.3360 ( 3439 PWs) bands (ev): -47.8762 -47.8762 -22.6888 -22.6886 -19.9378 -19.9253 -19.7720 -19.7598 -19.7335 -19.7328 -18.0671 -18.0663 -8.0511 -8.0508 -4.8313 -4.8283 -4.5582 -4.5581 -4.3301 -4.3261 -0.0771 -0.0771 0.6308 0.6380 1.8407 1.8513 5.2282 5.2282 9.3560 9.3570 10.1639 10.1657 11.2382 11.2389 k = 0.3825-0.3330 0.3437 ( 3431 PWs) bands (ev): -47.8762 -47.8762 -22.6875 -22.6873 -19.9388 -19.9268 -19.7733 -19.7614 -19.7336 -19.7330 -18.0650 -18.0643 -8.0665 -8.0662 -4.8099 -4.8069 -4.5623 -4.5622 -4.3436 -4.3397 -0.0713 -0.0712 0.6696 0.6768 1.8382 1.8487 5.2336 5.2336 9.4070 9.4077 10.1112 10.1131 11.2102 11.2105 k = 0.3910-0.3404 0.3513 ( 3432 PWs) bands (ev): -47.8762 -47.8762 -22.6863 -22.6861 -19.9399 -19.9283 -19.7745 -19.7630 -19.7337 -19.7332 -18.0630 -18.0623 -8.0813 -8.0810 -4.7893 -4.7864 -4.5661 -4.5660 -4.3566 -4.3529 -0.0657 -0.0657 0.7085 0.7156 1.8346 1.8448 5.2385 5.2385 9.4579 9.4583 10.0624 10.0645 11.1834 11.1835 k = 0.3995-0.3478 0.3589 ( 3426 PWs) bands (ev): -47.8762 -47.8762 -22.6852 -22.6850 -19.9408 -19.9298 -19.7756 -19.7646 -19.7338 -19.7333 -18.0609 -18.0602 -8.0954 -8.0951 -4.7696 -4.7668 -4.5696 -4.5695 -4.3691 -4.3656 -0.0605 -0.0604 0.7470 0.7541 1.8298 1.8397 5.2430 5.2430 9.5083 9.5084 10.0183 10.0205 11.1573 11.1578 k = 0.4080-0.3552 0.3666 ( 3426 PWs) bands (ev): -47.8762 -47.8762 -22.6841 -22.6839 -19.9417 -19.9314 -19.7765 -19.7661 -19.7339 -19.7335 -18.0589 -18.0582 -8.1087 -8.1084 -4.7510 -4.7483 -4.5729 -4.5728 -4.3810 -4.3776 -0.0556 -0.0555 0.7850 0.7919 1.8240 1.8336 5.2471 5.2471 9.5572 9.5575 9.9798 9.9823 11.1316 11.1327 k = 0.4165-0.3626 0.3742 ( 3428 PWs) bands (ev): -47.8762 -47.8762 -22.6831 -22.6829 -19.9425 -19.9329 -19.7773 -19.7676 -19.7340 -19.7336 -18.0570 -18.0563 -8.1211 -8.1208 -4.7336 -4.7310 -4.5760 -4.5759 -4.3922 -4.3889 -0.0510 -0.0510 0.8219 0.8287 1.8173 1.8266 5.2507 5.2507 9.6029 9.6037 9.9488 9.9516 11.1056 11.1073 k = 0.4250-0.3700 0.3818 ( 3420 PWs) bands (ev): -47.8761 -47.8761 -22.6822 -22.6820 -19.9432 -19.9343 -19.7780 -19.7691 -19.7341 -19.7337 -18.0551 -18.0545 -8.1325 -8.1323 -4.7175 -4.7149 -4.5788 -4.5787 -4.4025 -4.3994 -0.0468 -0.0468 0.8575 0.8640 1.8100 1.8188 5.2540 5.2540 9.6426 9.6439 9.9283 9.9314 11.0779 11.0803 k = 0.4335-0.3774 0.3895 ( 3420 PWs) bands (ev): -47.8761 -47.8761 -22.6813 -22.6812 -19.9438 -19.9358 -19.7786 -19.7705 -19.7341 -19.7339 -18.0533 -18.0528 -8.1429 -8.1427 -4.7027 -4.7003 -4.5813 -4.5812 -4.4120 -4.4092 -0.0430 -0.0430 0.8912 0.8974 1.8022 1.8104 5.2569 5.2569 9.6720 9.6736 9.9228 9.9262 11.0462 11.0494 k = 0.4420-0.3849 0.3971 ( 3412 PWs) bands (ev): -47.8761 -47.8761 -22.6806 -22.6805 -19.9442 -19.9371 -19.7789 -19.7717 -19.7342 -19.7339 -18.0517 -18.0513 -8.1522 -8.1520 -4.6894 -4.6872 -4.5835 -4.5833 -4.4206 -4.4179 -0.0397 -0.0396 0.9227 0.9285 1.7942 1.8018 5.2593 5.2594 9.6871 9.6888 9.9362 9.9395 11.0075 11.0112 k = 0.4505-0.3923 0.4048 ( 3408 PWs) bands (ev): -47.8761 -47.8761 -22.6799 -22.6798 -19.9446 -19.9384 -19.7792 -19.7730 -19.7342 -19.7340 -18.0503 -18.0499 -8.1603 -8.1602 -4.6777 -4.6756 -4.5853 -4.5852 -4.4281 -4.4257 -0.0367 -0.0367 0.9514 0.9567 1.7863 1.7931 5.2615 5.2615 9.6894 9.6908 9.9668 9.9697 10.9589 10.9626 k = 0.4590-0.3997 0.4124 ( 3408 PWs) bands (ev): -47.8761 -47.8761 -22.6794 -22.6793 -19.9448 -19.9396 -19.7794 -19.7741 -19.7342 -19.7341 -18.0491 -18.0487 -8.1673 -8.1671 -4.6676 -4.6658 -4.5869 -4.5868 -4.4346 -4.4325 -0.0342 -0.0342 0.9768 0.9815 1.7789 1.7848 5.2633 5.2633 9.6841 9.6851 10.0085 10.0108 10.9010 10.9042 k = 0.4675-0.4071 0.4200 ( 3420 PWs) bands (ev): -47.8761 -47.8761 -22.6789 -22.6789 -19.9449 -19.9408 -19.7794 -19.7752 -19.7343 -19.7342 -18.0480 -18.0477 -8.1730 -8.1728 -4.6592 -4.6577 -4.5882 -4.5882 -4.4399 -4.4382 -0.0322 -0.0322 0.9985 1.0023 1.7724 1.7772 5.2647 5.2647 9.6759 9.6766 10.0549 10.0568 10.8387 10.8413 k = 0.4760-0.4145 0.4277 ( 3420 PWs) bands (ev): -47.8761 -47.8761 -22.6786 -22.6785 -19.9449 -19.9418 -19.7793 -19.7762 -19.7343 -19.7343 -18.0472 -18.0470 -8.1773 -8.1773 -4.6526 -4.6514 -4.5892 -4.5892 -4.4441 -4.4428 -0.0306 -0.0306 1.0159 1.0188 1.7670 1.7707 5.2658 5.2658 9.6678 9.6683 10.1007 10.1022 10.7789 10.7808 k = 0.4760-0.4145 0.4277 ( 3420 PWs) bands (ev): -47.8761 -47.8761 -22.6786 -22.6785 -19.9449 -19.9418 -19.7793 -19.7762 -19.7343 -19.7343 -18.0472 -18.0470 -8.1773 -8.1773 -4.6526 -4.6514 -4.5892 -4.5892 -4.4441 -4.4428 -0.0306 -0.0306 1.0159 1.0188 1.7670 1.7707 5.2658 5.2658 9.6678 9.6683 10.1007 10.1022 10.7789 10.7808 k = 0.4766-0.4020 0.4225 ( 3418 PWs) bands (ev): -47.8761 -47.8761 -22.6788 -22.6788 -19.9449 -19.9411 -19.7794 -19.7755 -19.7343 -19.7342 -18.0477 -18.0475 -8.1744 -8.1743 -4.6570 -4.6556 -4.5885 -4.5884 -4.4414 -4.4398 -0.0317 -0.0317 1.0043 1.0079 1.7704 1.7749 5.2649 5.2649 9.6699 9.6706 10.0705 10.0723 10.8206 10.8229 k = 0.4772-0.3896 0.4172 ( 3418 PWs) bands (ev): -47.8761 -47.8761 -22.6792 -22.6791 -19.9449 -19.9404 -19.7794 -19.7748 -19.7342 -19.7341 -18.0483 -18.0480 -8.1707 -8.1706 -4.6625 -4.6609 -4.5875 -4.5874 -4.4380 -4.4362 -0.0333 -0.0333 0.9904 0.9945 1.7744 1.7796 5.2635 5.2635 9.6664 9.6672 10.0402 10.0422 10.8684 10.8712 k = 0.4779-0.3772 0.4120 ( 3414 PWs) bands (ev): -47.8761 -47.8761 -22.6797 -22.6796 -19.9447 -19.9395 -19.7792 -19.7740 -19.7342 -19.7340 -18.0489 -18.0486 -8.1663 -8.1662 -4.6691 -4.6674 -4.5861 -4.5860 -4.4340 -4.4320 -0.0353 -0.0352 0.9742 0.9789 1.7787 1.7846 5.2616 5.2616 9.6577 9.6587 10.0103 10.0126 10.9218 10.9248 k = 0.4785-0.3648 0.4068 ( 3417 PWs) bands (ev): -47.8761 -47.8761 -22.6803 -22.6802 -19.9445 -19.9386 -19.7791 -19.7731 -19.7341 -19.7339 -18.0496 -18.0492 -8.1612 -8.1610 -4.6769 -4.6750 -4.5845 -4.5844 -4.4294 -4.4272 -0.0377 -0.0377 0.9561 0.9612 1.7832 1.7896 5.2593 5.2593 9.6447 9.6457 9.9811 9.9835 10.9803 10.9836 k = 0.4791-0.3524 0.4016 ( 3418 PWs) bands (ev): -47.8761 -47.8761 -22.6810 -22.6809 -19.9441 -19.9377 -19.7788 -19.7722 -19.7339 -19.7337 -18.0504 -18.0499 -8.1553 -8.1551 -4.6857 -4.6837 -4.5825 -4.5824 -4.4241 -4.4217 -0.0405 -0.0405 0.9362 0.9417 1.7878 1.7947 5.2565 5.2565 9.6280 9.6292 9.9525 9.9551 11.0435 11.0470 k = 0.4797-0.3400 0.3964 ( 3420 PWs) bands (ev): -47.8761 -47.8761 -22.6818 -22.6817 -19.9437 -19.9367 -19.7784 -19.7713 -19.7338 -19.7335 -18.0511 -18.0507 -8.1488 -8.1486 -4.6957 -4.6937 -4.5803 -4.5802 -4.4181 -4.4156 -0.0437 -0.0437 0.9148 0.9205 1.7923 1.7997 5.2532 5.2532 9.6088 9.6101 9.9245 9.9274 11.1111 11.1147 k = 0.4803-0.3276 0.3912 ( 3414 PWs) bands (ev): -47.8761 -47.8761 -22.6827 -22.6825 -19.9432 -19.9356 -19.7779 -19.7702 -19.7336 -19.7333 -18.0520 -18.0515 -8.1416 -8.1414 -4.7068 -4.7047 -4.5778 -4.5777 -4.4114 -4.4088 -0.0472 -0.0472 0.8921 0.8981 1.7966 1.8044 5.2495 5.2495 9.5876 9.5890 9.8974 9.9004 11.1826 11.1861 k = 0.4809-0.3152 0.3860 ( 3417 PWs) bands (ev): -47.8761 -47.8761 -22.6836 -22.6835 -19.9426 -19.9345 -19.7773 -19.7692 -19.7334 -19.7330 -18.0529 -18.0523 -8.1337 -8.1335 -4.7190 -4.7169 -4.5750 -4.5749 -4.4040 -4.4014 -0.0511 -0.0511 0.8682 0.8744 1.8007 1.8088 5.2455 5.2455 9.5652 9.5666 9.8711 9.8742 11.2571 11.2604 k = 0.4816-0.3028 0.3808 ( 3422 PWs) bands (ev): -47.8762 -47.8762 -22.6847 -22.6845 -19.9420 -19.9334 -19.7767 -19.7681 -19.7333 -19.7328 -18.0538 -18.0532 -8.1253 -8.1250 -4.7322 -4.7302 -4.5720 -4.5719 -4.3960 -4.3934 -0.0554 -0.0553 0.8435 0.8497 1.8043 1.8126 5.2410 5.2410 9.5419 9.5434 9.8459 9.8491 11.3339 11.3368 k = 0.4822-0.2904 0.3756 ( 3426 PWs) bands (ev): -47.8762 -47.8762 -22.6858 -22.6857 -19.9412 -19.9322 -19.7759 -19.7670 -19.7330 -19.7325 -18.0547 -18.0541 -8.1162 -8.1159 -4.7465 -4.7444 -4.5688 -4.5687 -4.3873 -4.3847 -0.0599 -0.0599 0.8180 0.8243 1.8075 1.8160 5.2363 5.2363 9.5182 9.5197 9.8221 9.8253 11.4121 11.4144 k = 0.4828-0.2780 0.3704 ( 3431 PWs) bands (ev): -47.8762 -47.8762 -22.6870 -22.6869 -19.9404 -19.9310 -19.7751 -19.7659 -19.7328 -19.7322 -18.0557 -18.0551 -8.1066 -8.1063 -4.7617 -4.7597 -4.5654 -4.5653 -4.3781 -4.3755 -0.0647 -0.0647 0.7919 0.7983 1.8101 1.8188 5.2312 5.2312 9.4942 9.4957 9.7998 9.8031 11.4908 11.4925 k = 0.4834-0.2656 0.3652 ( 3435 PWs) bands (ev): -47.8762 -47.8762 -22.6883 -22.6881 -19.9396 -19.9299 -19.7742 -19.7647 -19.7326 -19.7319 -18.0567 -18.0561 -8.0965 -8.0962 -4.7778 -4.7759 -4.5618 -4.5617 -4.3684 -4.3658 -0.0698 -0.0698 0.7655 0.7719 1.8122 1.8210 5.2259 5.2259 9.4701 9.4716 9.7793 9.7826 11.5695 11.5704 k = 0.4840-0.2531 0.3600 ( 3435 PWs) bands (ev): -47.8762 -47.8762 -22.6896 -22.6895 -19.9387 -19.9287 -19.7731 -19.7635 -19.7323 -19.7315 -18.0578 -18.0571 -8.0858 -8.0855 -4.7947 -4.7929 -4.5580 -4.5579 -4.3582 -4.3557 -0.0751 -0.0751 0.7389 0.7453 1.8137 1.8225 5.2203 5.2204 9.4459 9.4474 9.7607 9.7641 11.6477 11.6478 k = 0.4846-0.2407 0.3548 ( 3443 PWs) bands (ev): -47.8762 -47.8762 -22.6910 -22.6908 -19.9377 -19.9275 -19.7721 -19.7623 -19.7321 -19.7312 -18.0588 -18.0581 -8.0748 -8.0745 -4.8124 -4.8106 -4.5541 -4.5540 -4.3476 -4.3451 -0.0806 -0.0806 0.7122 0.7185 1.8146 1.8234 5.2146 5.2146 9.4218 9.4232 9.7443 9.7476 11.7246 11.7252 k = 0.4852-0.2283 0.3496 ( 3448 PWs) bands (ev): -47.8762 -47.8762 -22.6924 -22.6922 -19.9367 -19.9264 -19.7710 -19.7611 -19.7318 -19.7308 -18.0599 -18.0592 -8.0633 -8.0630 -4.8308 -4.8291 -4.5500 -4.5500 -4.3366 -4.3342 -0.0863 -0.0863 0.6855 0.6918 1.8150 1.8238 5.2087 5.2087 9.3977 9.3990 9.7302 9.7334 11.8007 11.8021 k = 0.4859-0.2159 0.3444 ( 3443 PWs) bands (ev): -47.8762 -47.8762 -22.6938 -22.6936 -19.9356 -19.9252 -19.7697 -19.7599 -19.7315 -19.7304 -18.0609 -18.0602 -8.0515 -8.0512 -4.8496 -4.8480 -4.5459 -4.5458 -4.3253 -4.3229 -0.0922 -0.0921 0.6591 0.6653 1.8148 1.8235 5.2027 5.2027 9.3738 9.3750 9.7182 9.7213 11.8762 11.8781 k = 0.4865-0.2035 0.3392 ( 3449 PWs) bands (ev): -47.8762 -47.8762 -22.6953 -22.6951 -19.9346 -19.9241 -19.7684 -19.7587 -19.7313 -19.7300 -18.0620 -18.0613 -8.0394 -8.0391 -4.8690 -4.8675 -4.5416 -4.5416 -4.3138 -4.3115 -0.0981 -0.0981 0.6330 0.6390 1.8140 1.8226 5.1966 5.1966 9.3501 9.3511 9.7085 9.7115 11.9510 11.9535 k = 0.4871-0.1911 0.3339 ( 3447 PWs) bands (ev): -47.8762 -47.8762 -22.6968 -22.6966 -19.9334 -19.9230 -19.7671 -19.7575 -19.7310 -19.7295 -18.0631 -18.0623 -8.0271 -8.0268 -4.8887 -4.8873 -4.5374 -4.5373 -4.3020 -4.2998 -0.1041 -0.1040 0.6073 0.6132 1.8128 1.8212 5.1905 5.1905 9.3267 9.3276 9.7009 9.7038 12.0252 12.0281 k = 0.4877-0.1787 0.3287 ( 3447 PWs) bands (ev): -47.8763 -47.8763 -22.6982 -22.6980 -19.9323 -19.9219 -19.7657 -19.7563 -19.7307 -19.7291 -18.0641 -18.0634 -8.0146 -8.0143 -4.9087 -4.9073 -4.5330 -4.5330 -4.2903 -4.2881 -0.1101 -0.1101 0.5822 0.5879 1.8110 1.8193 5.1844 5.1844 9.3038 9.3045 9.6954 9.6981 12.0987 12.1020 k = 0.4883-0.1663 0.3235 ( 3445 PWs) bands (ev): -47.8763 -47.8763 -22.6997 -22.6995 -19.9311 -19.9209 -19.7643 -19.7552 -19.7304 -19.7287 -18.0652 -18.0644 -8.0020 -8.0016 -4.9288 -4.9275 -4.5287 -4.5287 -4.2784 -4.2764 -0.1161 -0.1161 0.5577 0.5632 1.8089 1.8169 5.1783 5.1783 9.2813 9.2819 9.6917 9.6943 12.1715 12.1751 k = 0.4889-0.1539 0.3183 ( 3445 PWs) bands (ev): -47.8763 -47.8763 -22.7011 -22.7010 -19.9300 -19.9199 -19.7628 -19.7541 -19.7301 -19.7282 -18.0662 -18.0655 -7.9893 -7.9890 -4.9490 -4.9478 -4.5245 -4.5244 -4.2666 -4.2647 -0.1221 -0.1221 0.5340 0.5392 1.8064 1.8141 5.1722 5.1723 9.2594 9.2599 9.6898 9.6922 12.2434 12.2472 k = 0.4895-0.1415 0.3131 ( 3445 PWs) bands (ev): -47.8763 -47.8763 -22.7026 -22.7024 -19.9288 -19.9190 -19.7614 -19.7530 -19.7298 -19.7278 -18.0672 -18.0665 -7.9767 -7.9764 -4.9690 -4.9679 -4.5202 -4.5202 -4.2550 -4.2531 -0.1280 -0.1280 0.5110 0.5161 1.8035 1.8110 5.1663 5.1663 9.2382 9.2386 9.6894 9.6916 12.3143 12.3183 k = 0.4902-0.1291 0.3079 ( 3445 PWs) bands (ev): -47.8763 -47.8763 -22.7040 -22.7038 -19.9276 -19.9181 -19.7599 -19.7519 -19.7295 -19.7274 -18.0681 -18.0675 -7.9641 -7.9638 -4.9889 -4.9878 -4.5161 -4.5160 -4.2435 -4.2418 -0.1338 -0.1338 0.4890 0.4938 1.8004 1.8076 5.1606 5.1606 9.2178 9.2181 9.6904 9.6925 12.3840 12.3881 k = 0.4908-0.1167 0.3027 ( 3445 PWs) bands (ev): -47.8763 -47.8763 -22.7053 -22.7051 -19.9265 -19.9173 -19.7584 -19.7509 -19.7292 -19.7270 -18.0691 -18.0684 -7.9518 -7.9515 -5.0084 -5.0074 -4.5120 -4.5120 -4.2323 -4.2307 -0.1395 -0.1395 0.4679 0.4725 1.7972 1.8040 5.1550 5.1550 9.1982 9.1984 9.6926 9.6945 12.4524 12.4566 k = 0.4914-0.1042 0.2975 ( 3445 PWs) bands (ev): -47.8763 -47.8763 -22.7066 -22.7065 -19.9254 -19.9166 -19.7570 -19.7500 -19.7289 -19.7267 -18.0700 -18.0694 -7.9397 -7.9394 -5.0274 -5.0265 -4.5081 -4.5080 -4.2214 -4.2199 -0.1450 -0.1450 0.4479 0.4523 1.7937 1.8003 5.1496 5.1496 9.1797 9.1798 9.6957 9.6975 12.5193 12.5235 k = 0.4920-0.0918 0.2923 ( 3447 PWs) bands (ev): -47.8763 -47.8763 -22.7079 -22.7077 -19.9243 -19.9159 -19.7556 -19.7491 -19.7286 -19.7264 -18.0709 -18.0702 -7.9280 -7.9277 -5.0458 -5.0450 -4.5043 -4.5043 -4.2110 -4.2095 -0.1503 -0.1503 0.4290 0.4331 1.7903 1.7964 5.1444 5.1444 9.1621 9.1621 9.6997 9.7013 12.5844 12.5886 k = 0.4926-0.0794 0.2871 ( 3443 PWs) bands (ev): -47.8763 -47.8763 -22.7091 -22.7089 -19.9232 -19.9153 -19.7542 -19.7482 -19.7283 -19.7260 -18.0717 -18.0711 -7.9167 -7.9164 -5.0635 -5.0628 -4.5007 -4.5007 -4.2009 -4.1996 -0.1554 -0.1554 0.4113 0.4151 1.7868 1.7926 5.1395 5.1396 9.1456 9.1456 9.7042 9.7057 12.6475 12.6516 k = 0.4932-0.0670 0.2819 ( 3444 PWs) bands (ev): -47.8763 -47.8763 -22.7102 -22.7100 -19.9222 -19.9148 -19.7529 -19.7474 -19.7281 -19.7258 -18.0724 -18.0719 -7.9059 -7.9056 -5.0803 -5.0797 -4.4973 -4.4973 -4.1914 -4.1902 -0.1601 -0.1601 0.3948 0.3983 1.7834 1.7887 5.1349 5.1350 9.1302 9.1303 9.7092 9.7105 12.7082 12.7122 k = 0.4939-0.0546 0.2767 ( 3442 PWs) bands (ev): -47.8763 -47.8763 -22.7112 -22.7111 -19.9212 -19.9144 -19.7516 -19.7467 -19.7278 -19.7255 -18.0731 -18.0726 -7.8957 -7.8954 -5.0962 -5.0956 -4.4941 -4.4941 -4.1825 -4.1814 -0.1646 -0.1646 0.3796 0.3828 1.7801 1.7850 5.1307 5.1307 9.1160 9.1161 9.7144 9.7156 12.7663 12.7701 k = 0.4945-0.0422 0.2715 ( 3440 PWs) bands (ev): -47.8763 -47.8763 -22.7122 -22.7121 -19.9202 -19.9140 -19.7504 -19.7460 -19.7276 -19.7253 -18.0738 -18.0733 -7.8861 -7.8859 -5.1109 -5.1104 -4.4911 -4.4911 -4.1743 -4.1733 -0.1688 -0.1687 0.3657 0.3687 1.7769 1.7814 5.1267 5.1267 9.1031 9.1032 9.7197 9.7208 12.8212 12.8249 k = 0.4951-0.0298 0.2663 ( 3444 PWs) bands (ev): -47.8763 -47.8763 -22.7131 -22.7130 -19.9193 -19.9137 -19.7493 -19.7455 -19.7273 -19.7252 -18.0744 -18.0740 -7.8773 -7.8772 -5.1245 -5.1240 -4.4884 -4.4884 -4.1668 -4.1659 -0.1725 -0.1725 0.3532 0.3558 1.7739 1.7779 5.1231 5.1231 9.0914 9.0915 9.7249 9.7258 12.8726 12.8760 k = 0.4957-0.0174 0.2611 ( 3449 PWs) bands (ev): -47.8763 -47.8763 -22.7139 -22.7138 -19.9185 -19.9135 -19.7483 -19.7450 -19.7271 -19.7251 -18.0749 -18.0745 -7.8694 -7.8692 -5.1367 -5.1363 -4.4860 -4.4860 -4.1600 -4.1592 -0.1759 -0.1759 0.3421 0.3444 1.7712 1.7748 5.1199 5.1199 9.0810 9.0812 9.7298 9.7307 12.9200 12.9231 k = 0.4963-0.0050 0.2558 ( 3445 PWs) bands (ev): -47.8763 -47.8763 -22.7146 -22.7145 -19.9177 -19.9134 -19.7473 -19.7446 -19.7268 -19.7250 -18.0754 -18.0750 -7.8624 -7.8622 -5.1475 -5.1472 -4.4839 -4.4838 -4.1540 -4.1533 -0.1789 -0.1789 0.3324 0.3344 1.7689 1.7719 5.1171 5.1171 9.0720 9.0721 9.7344 9.7351 12.9628 12.9656 k = 0.4969 0.0074 0.2506 ( 3445 PWs) bands (ev): -47.8763 -47.8763 -22.7151 -22.7151 -19.9169 -19.9133 -19.7465 -19.7442 -19.7266 -19.7250 -18.0758 -18.0755 -7.8563 -7.8562 -5.1568 -5.1566 -4.4820 -4.4820 -4.1489 -4.1483 -0.1815 -0.1815 0.3242 0.3259 1.7668 1.7694 5.1147 5.1147 9.0643 9.0645 9.7386 9.7391 13.0005 13.0029 k = 0.4975 0.0198 0.2454 ( 3445 PWs) bands (ev): -47.8763 -47.8763 -22.7156 -22.7156 -19.9163 -19.9134 -19.7457 -19.7440 -19.7264 -19.7251 -18.0761 -18.0758 -7.8512 -7.8511 -5.1646 -5.1643 -4.4805 -4.4805 -4.1446 -4.1441 -0.1836 -0.1836 0.3175 0.3188 1.7652 1.7672 5.1127 5.1127 9.0581 9.0581 9.7421 9.7426 13.0325 13.0345 k = 0.4982 0.0322 0.2402 ( 3441 PWs) bands (ev): -47.8763 -47.8763 -22.7160 -22.7160 -19.9156 -19.9134 -19.7451 -19.7438 -19.7261 -19.7251 -18.0763 -18.0761 -7.8472 -7.8472 -5.1706 -5.1704 -4.4793 -4.4793 -4.1412 -4.1409 -0.1853 -0.1853 0.3123 0.3133 1.7639 1.7654 5.1112 5.1112 9.0531 9.0532 9.7449 9.7453 13.0582 13.0597 k = 0.4988 0.0446 0.2350 ( 3446 PWs) bands (ev): -47.8763 -47.8763 -22.7163 -22.7163 -19.9151 -19.9136 -19.7446 -19.7438 -19.7259 -19.7252 -18.0765 -18.0764 -7.8444 -7.8443 -5.1750 -5.1749 -4.4785 -4.4785 -4.1388 -4.1386 -0.1865 -0.1865 0.3086 0.3093 1.7630 1.7641 5.1101 5.1101 9.0496 9.0497 9.7470 9.7473 13.0770 13.0780 k = 0.4994 0.0571 0.2298 ( 3446 PWs) bands (ev): -47.8763 -47.8763 -22.7164 -22.7164 -19.9146 -19.9139 -19.7442 -19.7438 -19.7257 -19.7254 -18.0766 -18.0765 -7.8426 -7.8426 -5.1776 -5.1775 -4.4780 -4.4780 -4.1373 -4.1372 -0.1872 -0.1872 0.3065 0.3068 1.7626 1.7631 5.1094 5.1094 9.0475 9.0476 9.7483 9.7485 13.0886 13.0891 k = 0.5000 0.0695 0.2246 ( 3446 PWs) bands (ev): -47.8763 -47.8763 -22.7165 -22.7165 -19.9142 -19.9142 -19.7440 -19.7440 -19.7255 -19.7255 -18.0766 -18.0766 -7.8420 -7.8420 -5.1784 -5.1784 -4.4778 -4.4778 -4.1368 -4.1368 -0.1874 -0.1874 0.3059 0.3059 1.7627 1.7627 5.1092 5.1092 9.0468 9.0468 9.7488 9.7488 13.0927 13.0927 k = 0.5000 0.0695 0.2246 ( 3446 PWs) bands (ev): -47.8763 -47.8763 -22.7165 -22.7165 -19.9142 -19.9142 -19.7440 -19.7440 -19.7255 -19.7255 -18.0766 -18.0766 -7.8420 -7.8420 -5.1784 -5.1784 -4.4778 -4.4778 -4.1368 -4.1368 -0.1874 -0.1874 0.3059 0.3059 1.7627 1.7627 5.1092 5.1092 9.0468 9.0468 9.7488 9.7488 13.0927 13.0927 k = 0.4943 0.0744 0.2357 ( 3452 PWs) bands (ev): -47.8764 -47.8764 -22.7164 -22.7164 -19.9145 -19.9141 -19.7442 -19.7439 -19.7259 -19.7253 -18.0765 -18.0765 -7.8420 -7.8420 -5.1784 -5.1783 -4.4785 -4.4782 -4.1369 -4.1369 -0.1883 -0.1880 0.3060 0.3063 1.7628 1.7629 5.1084 5.1086 9.0483 9.0485 9.7503 9.7504 13.0933 13.0935 k = 0.4886 0.0794 0.2468 ( 3452 PWs) bands (ev): -47.8763 -47.8763 -22.7163 -22.7163 -19.9148 -19.9140 -19.7445 -19.7438 -19.7262 -19.7251 -18.0763 -18.0762 -7.8418 -7.8418 -5.1781 -5.1779 -4.4802 -4.4798 -4.1373 -4.1372 -0.1904 -0.1897 0.3067 0.3073 1.7634 1.7635 5.1064 5.1067 9.0530 9.0533 9.7550 9.7552 13.0952 13.0957 k = 0.4830 0.0843 0.2580 ( 3446 PWs) bands (ev): -47.8763 -47.8763 -22.7161 -22.7161 -19.9151 -19.9139 -19.7448 -19.7437 -19.7266 -19.7249 -18.0759 -18.0757 -7.8415 -7.8415 -5.1776 -5.1772 -4.4830 -4.4824 -4.1380 -4.1377 -0.1937 -0.1928 0.3080 0.3089 1.7643 1.7645 5.1031 5.1036 9.0608 9.0612 9.7627 9.7630 13.0985 13.0992 k = 0.4773 0.0893 0.2691 ( 3446 PWs) bands (ev): -47.8763 -47.8763 -22.7158 -22.7158 -19.9154 -19.9138 -19.7452 -19.7438 -19.7270 -19.7247 -18.0753 -18.0751 -7.8411 -7.8411 -5.1768 -5.1764 -4.4868 -4.4860 -4.1388 -4.1385 -0.1984 -0.1971 0.3099 0.3110 1.7657 1.7659 5.0985 5.0992 9.0717 9.0722 9.7736 9.7739 13.1032 13.1041 k = 0.4716 0.0942 0.2802 ( 3452 PWs) bands (ev): -47.8763 -47.8763 -22.7153 -22.7153 -19.9159 -19.9139 -19.7458 -19.7440 -19.7275 -19.7247 -18.0746 -18.0743 -7.8406 -7.8406 -5.1758 -5.1753 -4.4917 -4.4907 -4.1399 -4.1395 -0.2042 -0.2027 0.3123 0.3136 1.7674 1.7676 5.0927 5.0936 9.0856 9.0863 9.7875 9.7879 13.1091 13.1103 k = 0.4659 0.0991 0.2913 ( 3450 PWs) bands (ev): -47.8763 -47.8763 -22.7149 -22.7149 -19.9164 -19.9140 -19.7463 -19.7442 -19.7279 -19.7246 -18.0738 -18.0734 -7.8400 -7.8399 -5.1747 -5.1740 -4.4976 -4.4963 -4.1412 -4.1408 -0.2112 -0.2095 0.3152 0.3168 1.7694 1.7697 5.0857 5.0868 9.1026 9.1033 9.8044 9.8050 13.1162 13.1176 k = 0.4602 0.1041 0.3024 ( 3458 PWs) bands (ev): -47.8763 -47.8763 -22.7143 -22.7143 -19.9169 -19.9142 -19.7470 -19.7445 -19.7284 -19.7247 -18.0727 -18.0723 -7.8393 -7.8392 -5.1733 -5.1726 -4.5043 -4.5029 -4.1428 -4.1423 -0.2193 -0.2174 0.3185 0.3203 1.7718 1.7721 5.0775 5.0788 9.1225 9.1233 9.8243 9.8249 13.1244 13.1260 k = 0.4545 0.1090 0.3136 ( 3460 PWs) bands (ev): -47.8763 -47.8763 -22.7136 -22.7136 -19.9175 -19.9144 -19.7477 -19.7449 -19.7288 -19.7247 -18.0716 -18.0711 -7.8384 -7.8384 -5.1718 -5.1710 -4.5119 -4.5103 -4.1446 -4.1440 -0.2285 -0.2263 0.3224 0.3244 1.7745 1.7749 5.0683 5.0697 9.1453 9.1462 9.8471 9.8479 13.1336 13.1354 k = 0.4489 0.1140 0.3247 ( 3462 PWs) bands (ev): -47.8763 -47.8763 -22.7129 -22.7129 -19.9181 -19.9147 -19.7485 -19.7454 -19.7293 -19.7248 -18.0703 -18.0698 -7.8375 -7.8374 -5.1702 -5.1692 -4.5203 -4.5184 -4.1466 -4.1459 -0.2386 -0.2363 0.3266 0.3288 1.7776 1.7780 5.0580 5.0595 9.1709 9.1719 9.8728 9.8736 13.1436 13.1457 k = 0.4432 0.1189 0.3358 ( 3468 PWs) bands (ev): -47.8763 -47.8763 -22.7121 -22.7121 -19.9188 -19.9150 -19.7494 -19.7460 -19.7297 -19.7249 -18.0688 -18.0683 -7.8365 -7.8364 -5.1684 -5.1674 -4.5294 -4.5273 -4.1489 -4.1481 -0.2497 -0.2472 0.3312 0.3335 1.7809 1.7814 5.0467 5.0484 9.1991 9.2003 9.9013 9.9022 13.1542 13.1566 k = 0.4375 0.1239 0.3469 ( 3466 PWs) bands (ev): -47.8762 -47.8762 -22.7112 -22.7112 -19.9195 -19.9153 -19.7503 -19.7466 -19.7300 -19.7251 -18.0672 -18.0667 -7.8354 -7.8353 -5.1666 -5.1654 -4.5391 -4.5368 -4.1513 -4.1505 -0.2616 -0.2589 0.3362 0.3386 1.7845 1.7850 5.0345 5.0364 9.2300 9.2313 9.9325 9.9335 13.1652 13.1678 k = 0.4318 0.1288 0.3580 ( 3464 PWs) bands (ev): -47.8762 -47.8762 -22.7102 -22.7102 -19.9203 -19.9157 -19.7513 -19.7473 -19.7304 -19.7252 -18.0655 -18.0649 -7.8342 -7.8341 -5.1647 -5.1634 -4.5494 -4.5468 -4.1540 -4.1532 -0.2742 -0.2715 0.3415 0.3440 1.7884 1.7889 5.0215 5.0235 9.2634 9.2648 9.9663 9.9673 13.1762 13.1791 k = 0.4261 0.1338 0.3691 ( 3464 PWs) bands (ev): -47.8762 -47.8762 -22.7092 -22.7092 -19.9210 -19.9162 -19.7524 -19.7480 -19.7307 -19.7254 -18.0637 -18.0631 -7.8329 -7.8328 -5.1628 -5.1613 -4.5600 -4.5573 -4.1569 -4.1560 -0.2876 -0.2848 0.3470 0.3496 1.7925 1.7930 5.0077 5.0098 9.2992 9.3006 10.0026 10.0037 13.1869 13.1900 k = 0.4205 0.1387 0.3803 ( 3456 PWs) bands (ev): -47.8761 -47.8761 -22.7082 -22.7082 -19.9218 -19.9167 -19.7535 -19.7488 -19.7309 -19.7256 -18.0618 -18.0611 -7.8315 -7.8314 -5.1609 -5.1593 -4.5709 -4.5680 -4.1601 -4.1591 -0.3016 -0.2986 0.3528 0.3555 1.7968 1.7974 4.9932 4.9955 9.3374 9.3388 10.0414 10.0426 13.1966 13.2000 k = 0.4148 0.1437 0.3914 ( 3456 PWs) bands (ev): -47.8761 -47.8761 -22.7070 -22.7070 -19.9226 -19.9172 -19.7548 -19.7497 -19.7311 -19.7258 -18.0599 -18.0591 -7.8301 -7.8300 -5.1592 -5.1574 -4.5821 -4.5790 -4.1634 -4.1624 -0.3160 -0.3131 0.3588 0.3615 1.8012 1.8018 4.9781 4.9805 9.3777 9.3792 10.0824 10.0837 13.2045 13.2081 k = 0.4091 0.1486 0.4025 ( 3456 PWs) bands (ev): -47.8761 -47.8761 -22.7059 -22.7059 -19.9235 -19.9178 -19.7560 -19.7506 -19.7313 -19.7260 -18.0578 -18.0570 -7.8287 -7.8285 -5.1575 -5.1556 -4.5934 -4.5900 -4.1670 -4.1659 -0.3310 -0.3280 0.3649 0.3676 1.8058 1.8065 4.9624 4.9650 9.4200 9.4216 10.1256 10.1269 13.2095 13.2133 k = 0.4034 0.1536 0.4136 ( 3460 PWs) bands (ev): -47.8760 -47.8760 -22.7047 -22.7047 -19.9244 -19.9184 -19.7574 -19.7516 -19.7316 -19.7262 -18.0557 -18.0549 -7.8272 -7.8270 -5.1560 -5.1540 -4.6046 -4.6011 -4.1707 -4.1696 -0.3463 -0.3432 0.3712 0.3739 1.8105 1.8112 4.9464 4.9491 9.4644 9.4660 10.1708 10.1722 13.2101 13.2141 k = 0.3977 0.1585 0.4247 ( 3470 PWs) bands (ev): -47.8760 -47.8760 -22.7034 -22.7034 -19.9254 -19.9192 -19.7588 -19.7526 -19.7317 -19.7265 -18.0535 -18.0527 -7.8256 -7.8255 -5.1547 -5.1526 -4.6157 -4.6120 -4.1747 -4.1735 -0.3619 -0.3589 0.3775 0.3802 1.8154 1.8160 4.9299 4.9328 9.5106 9.5123 10.2178 10.2193 13.2043 13.2084 k = 0.3920 0.1635 0.4359 ( 3466 PWs) bands (ev): -47.8760 -47.8760 -22.7022 -22.7022 -19.9263 -19.9198 -19.7601 -19.7536 -19.7319 -19.7267 -18.0513 -18.0504 -7.8240 -7.8239 -5.1537 -5.1514 -4.6266 -4.6227 -4.1788 -4.1775 -0.3777 -0.3747 0.3839 0.3866 1.8203 1.8210 4.9133 4.9162 9.5585 9.5603 10.2666 10.2681 13.1900 13.1938 k = 0.3864 0.1684 0.4470 ( 3466 PWs) bands (ev): -47.8760 -47.8760 -22.7009 -22.7009 -19.9272 -19.9206 -19.7615 -19.7547 -19.7320 -19.7269 -18.0490 -18.0481 -7.8224 -7.8222 -5.1530 -5.1506 -4.6371 -4.6330 -4.1831 -4.1818 -0.3937 -0.3906 0.3904 0.3930 1.8252 1.8259 4.8964 4.8995 9.6081 9.6099 10.3169 10.3185 13.1648 13.1684 k = 0.3807 0.1734 0.4581 ( 3460 PWs) bands (ev): -47.8759 -47.8759 -22.6996 -22.6996 -19.9282 -19.9213 -19.7629 -19.7557 -19.7321 -19.7271 -18.0467 -18.0458 -7.8208 -7.8206 -5.1527 -5.1501 -4.6471 -4.6428 -4.1876 -4.1862 -0.4096 -0.4066 0.3968 0.3993 1.8302 1.8309 4.8795 4.8827 9.6592 9.6611 10.3685 10.3702 13.1280 13.1310 k = 0.3750 0.1783 0.4692 ( 3466 PWs) bands (ev): -47.8759 -47.8759 -22.6983 -22.6983 -19.9291 -19.9221 -19.7643 -19.7568 -19.7322 -19.7274 -18.0444 -18.0435 -7.8191 -7.8189 -5.1527 -5.1500 -4.6566 -4.6521 -4.1922 -4.1907 -0.4256 -0.4226 0.4032 0.4057 1.8351 1.8358 4.8626 4.8658 9.7118 9.7137 10.4213 10.4231 13.0798 13.0822 k = 0.3693 0.1832 0.4803 ( 3468 PWs) bands (ev): -47.8758 -47.8758 -22.6970 -22.6970 -19.9301 -19.9229 -19.7657 -19.7579 -19.7322 -19.7276 -18.0421 -18.0412 -7.8175 -7.8173 -5.1532 -5.1504 -4.6654 -4.6608 -4.1969 -4.1954 -0.4414 -0.4384 0.4095 0.4119 1.8400 1.8407 4.8457 4.8491 9.7657 9.7676 10.4750 10.4769 13.0223 13.0240 k = 0.3636 0.1882 0.4914 ( 3468 PWs) bands (ev): -47.8758 -47.8758 -22.6957 -22.6957 -19.9311 -19.9237 -19.7671 -19.7589 -19.7323 -19.7278 -18.0399 -18.0389 -7.8159 -7.8157 -5.1541 -5.1512 -4.6734 -4.6687 -4.2018 -4.2002 -0.4571 -0.4541 0.4157 0.4181 1.8449 1.8456 4.8290 4.8325 9.8208 9.8228 10.5295 10.5314 12.9574 12.9586 k = 0.3580 0.1931 0.5026 ( 3464 PWs) bands (ev): -47.8758 -47.8758 -22.6944 -22.6944 -19.9320 -19.9245 -19.7684 -19.7600 -19.7323 -19.7280 -18.0376 -18.0367 -7.8142 -7.8140 -5.1555 -5.1525 -4.6807 -4.6759 -4.2067 -4.2051 -0.4725 -0.4695 0.4219 0.4242 1.8496 1.8503 4.8126 4.8162 9.8770 9.8791 10.5845 10.5865 12.8872 12.8880 k = 0.3523 0.1981 0.5137 ( 3464 PWs) bands (ev): -47.8757 -47.8757 -22.6931 -22.6931 -19.9329 -19.9253 -19.7697 -19.7610 -19.7323 -19.7282 -18.0354 -18.0344 -7.8127 -7.8124 -5.1573 -5.1542 -4.6872 -4.6823 -4.2117 -4.2101 -0.4875 -0.4846 0.4278 0.4301 1.8543 1.8550 4.7965 4.8001 9.9343 9.9364 10.6398 10.6419 12.8133 12.8138 k = 0.3466 0.2030 0.5248 ( 3464 PWs) bands (ev): -47.8757 -47.8757 -22.6919 -22.6919 -19.9339 -19.9262 -19.7710 -19.7620 -19.7324 -19.7284 -18.0333 -18.0323 -7.8111 -7.8109 -5.1596 -5.1564 -4.6928 -4.6878 -4.2168 -4.2151 -0.5022 -0.4994 0.4336 0.4358 1.8589 1.8595 4.7808 4.7845 9.9925 9.9946 10.6951 10.6972 12.7369 12.7371 k = 0.3409 0.2080 0.5359 ( 3462 PWs) bands (ev): -47.8757 -47.8757 -22.6907 -22.6907 -19.9348 -19.9270 -19.7722 -19.7630 -19.7324 -19.7285 -18.0311 -18.0302 -7.8096 -7.8093 -5.1622 -5.1590 -4.6975 -4.6925 -4.2218 -4.2202 -0.5164 -0.5136 0.4392 0.4413 1.8633 1.8639 4.7656 4.7694 10.0515 10.0537 10.7501 10.7524 12.6587 12.6588 k = 0.3352 0.2129 0.5470 ( 3460 PWs) bands (ev): -47.8756 -47.8756 -22.6895 -22.6895 -19.9356 -19.9278 -19.7734 -19.7639 -19.7324 -19.7287 -18.0291 -18.0281 -7.8081 -7.8078 -5.1653 -5.1620 -4.7014 -4.6964 -4.2269 -4.2252 -0.5301 -0.5273 0.4446 0.4466 1.8675 1.8681 4.7509 4.7548 10.1112 10.1135 10.8048 10.8071 12.5794 12.5796 k = 0.3295 0.2179 0.5582 ( 3462 PWs) bands (ev): -47.8756 -47.8756 -22.6884 -22.6884 -19.9365 -19.9286 -19.7745 -19.7648 -19.7324 -19.7289 -18.0272 -18.0262 -7.8067 -7.8064 -5.1686 -5.1653 -4.7046 -4.6996 -4.2319 -4.2302 -0.5432 -0.5405 0.4498 0.4517 1.8716 1.8721 4.7368 4.7408 10.1715 10.1738 10.8586 10.8611 12.4996 12.4999 k = 0.3239 0.2228 0.5693 ( 3462 PWs) bands (ev): -47.8756 -47.8756 -22.6873 -22.6873 -19.9373 -19.9293 -19.7756 -19.7657 -19.7324 -19.7290 -18.0253 -18.0243 -7.8053 -7.8051 -5.1721 -5.1689 -4.7070 -4.7020 -4.2368 -4.2351 -0.5556 -0.5529 0.4547 0.4565 1.8754 1.8760 4.7234 4.7275 10.2321 10.2345 10.9115 10.9141 12.4197 12.4201 k = 0.3182 0.2278 0.5804 ( 3462 PWs) bands (ev): -47.8756 -47.8756 -22.6863 -22.6863 -19.9381 -19.9301 -19.7766 -19.7665 -19.7324 -19.7292 -18.0235 -18.0226 -7.8040 -7.8038 -5.1759 -5.1726 -4.7087 -4.7038 -4.2416 -4.2399 -0.5674 -0.5647 0.4593 0.4610 1.8790 1.8796 4.7108 4.7149 10.2930 10.2954 10.9631 10.9658 12.3401 12.3406 k = 0.3125 0.2327 0.5915 ( 3462 PWs) bands (ev): -47.8755 -47.8755 -22.6853 -22.6853 -19.9388 -19.9308 -19.7775 -19.7673 -19.7324 -19.7293 -18.0219 -18.0209 -7.8028 -7.8026 -5.1797 -5.1765 -4.7098 -4.7050 -4.2463 -4.2445 -0.5784 -0.5758 0.4636 0.4652 1.8824 1.8829 4.6990 4.7031 10.3538 10.3563 11.0131 11.0159 12.2611 12.2617 k = 0.3068 0.2377 0.6026 ( 3462 PWs) bands (ev): -47.8755 -47.8755 -22.6844 -22.6844 -19.9395 -19.9314 -19.7784 -19.7680 -19.7324 -19.7294 -18.0203 -18.0194 -7.8017 -7.8014 -5.1835 -5.1803 -4.7105 -4.7056 -4.2507 -4.2489 -0.5886 -0.5860 0.4676 0.4691 1.8856 1.8861 4.6880 4.6921 10.4143 10.4169 11.0613 11.0643 12.1831 12.1837 k = 0.3011 0.2426 0.6138 ( 3460 PWs) bands (ev): -47.8755 -47.8755 -22.6836 -22.6836 -19.9401 -19.9320 -19.7792 -19.7686 -19.7323 -19.7295 -18.0189 -18.0180 -7.8007 -7.8004 -5.1872 -5.1841 -4.7106 -4.7059 -4.2549 -4.2531 -0.5979 -0.5954 0.4713 0.4727 1.8885 1.8889 4.6779 4.6821 10.4741 10.4767 11.1074 11.1106 12.1063 12.1069 k = 0.2955 0.2476 0.6249 ( 3462 PWs) bands (ev): -47.8755 -47.8755 -22.6828 -22.6828 -19.9407 -19.9326 -19.7799 -19.7692 -19.7323 -19.7296 -18.0176 -18.0167 -7.7997 -7.7995 -5.1908 -5.1877 -4.7105 -4.7059 -4.2588 -4.2570 -0.6064 -0.6039 0.4746 0.4759 1.8911 1.8915 4.6687 4.6730 10.5327 10.5355 11.1513 11.1546 12.0312 12.0318 k = 0.2898 0.2525 0.6360 ( 3462 PWs) bands (ev): -47.8754 -47.8754 -22.6822 -22.6822 -19.9412 -19.9331 -19.7805 -19.7697 -19.7323 -19.7297 -18.0165 -18.0155 -7.7989 -7.7986 -5.1941 -5.1910 -4.7101 -4.7056 -4.2624 -4.2606 -0.6140 -0.6115 0.4776 0.4788 1.8935 1.8938 4.6606 4.6648 10.5895 10.5924 11.1928 11.1963 11.9583 11.9588 k = 0.2841 0.2575 0.6471 ( 3458 PWs) bands (ev): -47.8754 -47.8754 -22.6816 -22.6816 -19.9416 -19.9335 -19.7811 -19.7702 -19.7323 -19.7298 -18.0155 -18.0145 -7.7981 -7.7979 -5.1971 -5.1941 -4.7096 -4.7052 -4.2655 -4.2638 -0.6206 -0.6181 0.4802 0.4813 1.8955 1.8958 4.6534 4.6577 10.6437 10.6466 11.2318 11.2355 11.8879 11.8886 k = 0.2784 0.2624 0.6582 ( 3464 PWs) bands (ev): -47.8754 -47.8754 -22.6811 -22.6811 -19.9420 -19.9339 -19.7815 -19.7706 -19.7323 -19.7299 -18.0146 -18.0137 -7.7975 -7.7972 -5.1998 -5.1968 -4.7090 -4.7047 -4.2683 -4.2666 -0.6262 -0.6238 0.4824 0.4835 1.8973 1.8975 4.6473 4.6516 10.6940 10.6971 11.2682 11.2722 11.8210 11.8218 k = 0.2727 0.2673 0.6693 ( 3462 PWs) bands (ev): -47.8754 -47.8754 -22.6807 -22.6807 -19.9423 -19.9342 -19.7819 -19.7709 -19.7323 -19.7300 -18.0139 -18.0130 -7.7970 -7.7967 -5.2021 -5.1991 -4.7084 -4.7041 -4.2707 -4.2690 -0.6309 -0.6285 0.4842 0.4853 1.8987 1.8989 4.6423 4.6466 10.7393 10.7424 11.3021 11.3065 11.7586 11.7597 k = 0.2670 0.2723 0.6805 ( 3462 PWs) bands (ev): -47.8754 -47.8754 -22.6803 -22.6803 -19.9426 -19.9345 -19.7822 -19.7712 -19.7323 -19.7300 -18.0133 -18.0124 -7.7966 -7.7963 -5.2039 -5.2010 -4.7079 -4.7037 -4.2725 -4.2708 -0.6345 -0.6321 0.4856 0.4866 1.8998 1.9000 4.6383 4.6427 10.7775 10.7808 11.3333 11.3382 11.7022 11.7038 k = 0.2614 0.2772 0.6916 ( 3458 PWs) bands (ev): -47.8754 -47.8754 -22.6801 -22.6801 -19.9427 -19.9347 -19.7824 -19.7713 -19.7322 -19.7300 -18.0129 -18.0120 -7.7963 -7.7960 -5.2052 -5.2023 -4.7075 -4.7033 -4.2738 -4.2722 -0.6371 -0.6347 0.4867 0.4876 1.9007 1.9008 4.6355 4.6399 10.8070 10.8103 11.3606 11.3662 11.6547 11.6570 k = 0.2557 0.2822 0.7027 ( 3452 PWs) bands (ev): -47.8754 -47.8754 -22.6800 -22.6800 -19.9428 -19.9347 -19.7825 -19.7714 -19.7322 -19.7300 -18.0127 -18.0118 -7.7961 -7.7958 -5.2060 -5.2031 -4.7072 -4.7031 -4.2747 -4.2730 -0.6387 -0.6363 0.4873 0.4883 1.9012 1.9012 4.6339 4.6382 10.8256 10.8290 11.3810 11.3874 11.6208 11.6240 k = 0.2500 0.2871 0.7138 ( 3444 PWs) bands (ev): -47.8754 -47.8754 -22.6799 -22.6799 -19.9428 -19.9347 -19.7825 -19.7714 -19.7322 -19.7300 -18.0126 -18.0117 -7.7961 -7.7958 -5.2063 -5.2033 -4.7071 -4.7030 -4.2749 -4.2732 -0.6391 -0.6368 0.4875 0.4885 1.9014 1.9014 4.6333 4.6377 10.8320 10.8354 11.3890 11.3958 11.6081 11.6117 k = 0.3298-0.2871 0.7138 ( 3457 PWs) bands (ev): -47.8756 -47.8756 -22.6764 -22.6761 -19.9356 -19.9314 -19.7688 -19.7661 -19.7409 -19.7344 -18.0436 -18.0435 -8.0590 -8.0584 -4.9038 -4.9007 -4.6735 -4.6728 -4.3639 -4.3597 -0.3393 -0.3369 0.9461 0.9491 1.7858 1.7881 4.8037 4.8051 10.5930 10.5960 10.7778 10.7803 11.3970 11.3972 k = 0.3354-0.2920 0.7028 ( 3454 PWs) bands (ev): -47.8757 -47.8757 -22.6763 -22.6760 -19.9361 -19.9319 -19.7694 -19.7667 -19.7408 -19.7344 -18.0440 -18.0439 -8.0665 -8.0659 -4.8877 -4.8847 -4.6715 -4.6708 -4.3686 -4.3645 -0.3224 -0.3201 0.9516 0.9546 1.7856 1.7879 4.8290 4.8303 10.5780 10.5809 10.7184 10.7208 11.3758 11.3760 k = 0.3410-0.2969 0.6918 ( 3450 PWs) bands (ev): -47.8757 -47.8757 -22.6762 -22.6760 -19.9365 -19.9325 -19.7701 -19.7673 -19.7406 -19.7344 -18.0444 -18.0443 -8.0739 -8.0733 -4.8713 -4.8683 -4.6697 -4.6689 -4.3733 -4.3694 -0.3054 -0.3031 0.9568 0.9598 1.7852 1.7876 4.8545 4.8558 10.5594 10.5622 10.6589 10.6611 11.3550 11.3551 k = 0.3467-0.3018 0.6808 ( 3446 PWs) bands (ev): -47.8757 -47.8757 -22.6762 -22.6760 -19.9370 -19.9331 -19.7707 -19.7679 -19.7405 -19.7343 -18.0447 -18.0446 -8.0812 -8.0807 -4.8546 -4.8517 -4.6680 -4.6672 -4.3780 -4.3742 -0.2883 -0.2860 0.9618 0.9649 1.7847 1.7872 4.8802 4.8814 10.5372 10.5398 10.5999 10.6019 11.3347 11.3348 k = 0.3523-0.3067 0.6698 ( 3444 PWs) bands (ev): -47.8757 -47.8757 -22.6763 -22.6760 -19.9375 -19.9337 -19.7714 -19.7685 -19.7402 -19.7343 -18.0450 -18.0449 -8.0884 -8.0879 -4.8378 -4.8349 -4.6664 -4.6655 -4.3827 -4.3789 -0.2711 -0.2689 0.9666 0.9697 1.7840 1.7867 4.9058 4.9070 10.5100 10.5118 10.5439 10.5452 11.3147 11.3150 k = 0.3579-0.3116 0.6588 ( 3440 PWs) bands (ev): -47.8758 -47.8758 -22.6763 -22.6761 -19.9379 -19.9342 -19.7720 -19.7690 -19.7400 -19.7342 -18.0453 -18.0451 -8.0954 -8.0949 -4.8208 -4.8180 -4.6648 -4.6640 -4.3873 -4.3836 -0.2540 -0.2518 0.9712 0.9743 1.7833 1.7860 4.9314 4.9325 10.4679 10.4692 10.5004 10.5020 11.2947 11.2954 k = 0.3635-0.3165 0.6478 ( 3438 PWs) bands (ev): -47.8758 -47.8758 -22.6764 -22.6762 -19.9384 -19.9348 -19.7726 -19.7696 -19.7397 -19.7341 -18.0455 -18.0454 -8.1023 -8.1018 -4.8039 -4.8012 -4.6634 -4.6625 -4.3918 -4.3882 -0.2370 -0.2348 0.9755 0.9786 1.7824 1.7852 4.9568 4.9579 10.4116 10.4133 10.4693 10.4714 11.2744 11.2757 k = 0.3692-0.3214 0.6368 ( 3442 PWs) bands (ev): -47.8758 -47.8758 -22.6765 -22.6763 -19.9389 -19.9354 -19.7732 -19.7702 -19.7395 -19.7341 -18.0458 -18.0456 -8.1089 -8.1084 -4.7871 -4.7844 -4.6621 -4.6611 -4.3963 -4.3928 -0.2202 -0.2181 0.9796 0.9827 1.7815 1.7844 4.9818 4.9829 10.3530 10.3546 10.4405 10.4426 11.2526 11.2547 k = 0.3748-0.3263 0.6258 ( 3446 PWs) bands (ev): -47.8758 -47.8758 -22.6766 -22.6764 -19.9394 -19.9360 -19.7738 -19.7708 -19.7393 -19.7341 -18.0459 -18.0458 -8.1154 -8.1149 -4.7705 -4.7679 -4.6608 -4.6599 -4.4006 -4.3972 -0.2037 -0.2016 0.9835 0.9866 1.7805 1.7835 5.0065 5.0075 10.2944 10.2959 10.4121 10.4141 11.2269 11.2301 k = 0.3804-0.3312 0.6148 ( 3442 PWs) bands (ev): -47.8759 -47.8759 -22.6767 -22.6765 -19.9399 -19.9365 -19.7744 -19.7713 -19.7389 -19.7340 -18.0461 -18.0460 -8.1216 -8.1211 -4.7541 -4.7516 -4.6597 -4.6586 -4.4048 -4.4015 -0.1875 -0.1855 0.9871 0.9903 1.7795 1.7825 5.0307 5.0316 10.2365 10.2379 10.3838 10.3857 11.1948 11.1986 k = 0.3860-0.3361 0.6038 ( 3442 PWs) bands (ev): -47.8759 -47.8759 -22.6769 -22.6767 -19.9404 -19.9371 -19.7749 -19.7719 -19.7387 -19.7340 -18.0463 -18.0461 -8.1276 -8.1271 -4.7381 -4.7357 -4.6585 -4.6575 -4.4089 -4.4057 -0.1718 -0.1698 0.9906 0.9937 1.7785 1.7816 5.0542 5.0551 10.1798 10.1811 10.3559 10.3577 11.1571 11.1607 k = 0.3917-0.3410 0.5928 ( 3434 PWs) bands (ev): -47.8759 -47.8759 -22.6770 -22.6768 -19.9408 -19.9375 -19.7754 -19.7723 -19.7383 -19.7339 -18.0464 -18.0463 -8.1333 -8.1328 -4.7226 -4.7203 -4.6574 -4.6563 -4.4128 -4.4096 -0.1565 -0.1546 0.9937 0.9969 1.7774 1.7806 5.0770 5.0779 10.1246 10.1258 10.3286 10.3302 11.1171 11.1203 k = 0.3973-0.3459 0.5817 ( 3432 PWs) bands (ev): -47.8759 -47.8759 -22.6772 -22.6770 -19.9413 -19.9380 -19.7759 -19.7728 -19.7380 -19.7338 -18.0465 -18.0464 -8.1387 -8.1383 -4.7077 -4.7055 -4.6563 -4.6552 -4.4166 -4.4135 -0.1418 -0.1400 0.9967 0.9998 1.7763 1.7796 5.0990 5.0998 10.0713 10.0724 10.3021 10.3037 11.0772 11.0800 k = 0.4029-0.3508 0.5707 ( 3432 PWs) bands (ev): -47.8760 -47.8760 -22.6773 -22.6772 -19.9417 -19.9385 -19.7763 -19.7733 -19.7377 -19.7338 -18.0467 -18.0465 -8.1438 -8.1434 -4.6935 -4.6914 -4.6552 -4.6540 -4.4201 -4.4171 -0.1278 -0.1260 0.9994 1.0025 1.7752 1.7785 5.1201 5.1208 10.0202 10.0212 10.2766 10.2781 11.0386 11.0412 k = 0.4085-0.3557 0.5597 ( 3431 PWs) bands (ev): -47.8760 -47.8760 -22.6775 -22.6773 -19.9421 -19.9390 -19.7768 -19.7737 -19.7374 -19.7337 -18.0468 -18.0466 -8.1486 -8.1482 -4.6803 -4.6785 -4.6538 -4.6525 -4.4235 -4.4206 -0.1144 -0.1128 1.0019 1.0050 1.7742 1.7775 5.1401 5.1407 9.9716 9.9725 10.2524 10.2538 11.0019 11.0044 k = 0.4141-0.3606 0.5487 ( 3430 PWs) bands (ev): -47.8760 -47.8760 -22.6776 -22.6775 -19.9425 -19.9394 -19.7772 -19.7741 -19.7371 -19.7337 -18.0468 -18.0467 -8.1530 -8.1527 -4.6686 -4.6673 -4.6516 -4.6501 -4.4267 -4.4239 -0.1019 -0.1003 1.0042 1.0073 1.7732 1.7766 5.1589 5.1595 9.9259 9.9267 10.2295 10.2309 10.9676 10.9699 k = 0.4198-0.3655 0.5377 ( 3431 PWs) bands (ev): -47.8760 -47.8760 -22.6778 -22.6777 -19.9429 -19.9398 -19.7775 -19.7744 -19.7368 -19.7337 -18.0469 -18.0467 -8.1572 -8.1568 -4.6602 -4.6600 -4.6469 -4.6450 -4.4296 -4.4269 -0.0902 -0.0887 1.0063 1.0094 1.7722 1.7756 5.1765 5.1771 9.8832 9.8839 10.2082 10.2096 10.9358 10.9380 k = 0.4254-0.3704 0.5267 ( 3427 PWs) bands (ev): -47.8760 -47.8760 -22.6779 -22.6778 -19.9433 -19.9402 -19.7779 -19.7747 -19.7364 -19.7337 -18.0470 -18.0468 -8.1609 -8.1606 -4.6568 -4.6563 -4.6387 -4.6367 -4.4323 -4.4297 -0.0793 -0.0780 1.0081 1.0112 1.7713 1.7748 5.1928 5.1933 9.8438 9.8445 10.1885 10.1899 10.9066 10.9087 k = 0.4310-0.3753 0.5157 ( 3419 PWs) bands (ev): -47.8761 -47.8761 -22.6780 -22.6779 -19.9436 -19.9405 -19.7781 -19.7750 -19.7361 -19.7336 -18.0470 -18.0468 -8.1643 -8.1641 -4.6553 -4.6545 -4.6295 -4.6276 -4.4347 -4.4323 -0.0695 -0.0683 1.0098 1.0128 1.7704 1.7740 5.2076 5.2081 9.8079 9.8086 10.1706 10.1720 10.8803 10.8823 k = 0.4366-0.3802 0.5047 ( 3419 PWs) bands (ev): -47.8761 -47.8761 -22.6782 -22.6781 -19.9439 -19.9408 -19.7784 -19.7753 -19.7358 -19.7336 -18.0471 -18.0469 -8.1673 -8.1671 -4.6545 -4.6535 -4.6207 -4.6190 -4.4369 -4.4346 -0.0606 -0.0596 1.0112 1.0143 1.7697 1.7732 5.2209 5.2213 9.7758 9.7764 10.1545 10.1560 10.8568 10.8588 k = 0.4423-0.3851 0.4937 ( 3419 PWs) bands (ev): -47.8761 -47.8761 -22.6783 -22.6782 -19.9441 -19.9410 -19.7786 -19.7755 -19.7356 -19.7337 -18.0471 -18.0469 -8.1700 -8.1698 -4.6539 -4.6529 -4.6127 -4.6112 -4.4388 -4.4367 -0.0528 -0.0519 1.0125 1.0155 1.7690 1.7726 5.2326 5.2329 9.7476 9.7482 10.1405 10.1419 10.8363 10.8383 k = 0.4479-0.3900 0.4827 ( 3423 PWs) bands (ev): -47.8761 -47.8761 -22.6784 -22.6783 -19.9444 -19.9413 -19.7788 -19.7757 -19.7353 -19.7338 -18.0471 -18.0469 -8.1722 -8.1720 -4.6535 -4.6524 -4.6058 -4.6045 -4.4404 -4.4385 -0.0462 -0.0454 1.0135 1.0165 1.7684 1.7720 5.2425 5.2428 9.7235 9.7240 10.1285 10.1299 10.8189 10.8208 k = 0.4535-0.3949 0.4717 ( 3421 PWs) bands (ev): -47.8761 -47.8761 -22.6784 -22.6784 -19.9445 -19.9415 -19.7790 -19.7759 -19.7351 -19.7338 -18.0472 -18.0469 -8.1741 -8.1739 -4.6531 -4.6520 -4.6001 -4.5990 -4.4417 -4.4400 -0.0407 -0.0401 1.0144 1.0174 1.7679 1.7715 5.2508 5.2510 9.7036 9.7041 10.1185 10.1200 10.8046 10.8065 k = 0.4591-0.3998 0.4607 ( 3420 PWs) bands (ev): -47.8761 -47.8761 -22.6785 -22.6784 -19.9447 -19.9416 -19.7791 -19.7760 -19.7349 -19.7339 -18.0472 -18.0470 -8.1755 -8.1754 -4.6529 -4.6517 -4.5955 -4.5946 -4.4428 -4.4412 -0.0363 -0.0359 1.0150 1.0180 1.7675 1.7712 5.2573 5.2575 9.6880 9.6885 10.1108 10.1122 10.7934 10.7953 k = 0.4648-0.4047 0.4497 ( 3424 PWs) bands (ev): -47.8761 -47.8761 -22.6785 -22.6785 -19.9448 -19.9417 -19.7792 -19.7761 -19.7347 -19.7340 -18.0472 -18.0470 -8.1765 -8.1764 -4.6527 -4.6516 -4.5921 -4.5915 -4.4435 -4.4421 -0.0332 -0.0329 1.0155 1.0185 1.7672 1.7709 5.2620 5.2621 9.6768 9.6773 10.1052 10.1067 10.7854 10.7872 k = 0.4704-0.4096 0.4387 ( 3422 PWs) bands (ev): -47.8761 -47.8761 -22.6786 -22.6785 -19.9449 -19.9418 -19.7793 -19.7762 -19.7345 -19.7341 -18.0472 -18.0470 -8.1771 -8.1770 -4.6526 -4.6514 -4.5900 -4.5897 -4.4439 -4.4426 -0.0313 -0.0311 1.0158 1.0187 1.7670 1.7707 5.2648 5.2649 9.6700 9.6705 10.1018 10.1033 10.7805 10.7824 k = 0.4760-0.4145 0.4277 ( 3420 PWs) bands (ev): -47.8761 -47.8761 -22.6786 -22.6785 -19.9449 -19.9418 -19.7793 -19.7762 -19.7343 -19.7343 -18.0472 -18.0470 -8.1773 -8.1773 -4.6526 -4.6514 -4.5892 -4.5892 -4.4441 -4.4428 -0.0306 -0.0306 1.0159 1.0188 1.7670 1.7707 5.2658 5.2658 9.6678 9.6683 10.1007 10.1022 10.7789 10.7808 k = 0.5240 0.5534 0.0215 ( 3420 PWs) bands (ev): -47.8761 -47.8761 -22.6786 -22.6785 -19.9449 -19.9418 -19.7793 -19.7762 -19.7343 -19.7343 -18.0472 -18.0470 -8.1773 -8.1773 -4.6526 -4.6514 -4.5892 -4.5892 -4.4441 -4.4428 -0.0306 -0.0306 1.0159 1.0188 1.7670 1.7707 5.2658 5.2658 9.6678 9.6683 10.1007 10.1022 10.7789 10.7808 k = 0.5160 0.5603 0.0144 ( 3424 PWs) bands (ev): -47.8761 -47.8761 -22.6783 -22.6783 -19.9447 -19.9426 -19.7791 -19.7770 -19.7344 -19.7343 -18.0466 -18.0465 -8.1803 -8.1802 -4.6481 -4.6473 -4.5899 -4.5899 -4.4468 -4.4459 -0.0295 -0.0295 1.0279 1.0300 1.7634 1.7659 5.2665 5.2665 9.6617 9.6620 10.1383 10.1394 10.7313 10.7326 k = 0.5080 0.5673 0.0072 ( 3424 PWs) bands (ev): -47.8761 -47.8761 -22.6782 -22.6782 -19.9444 -19.9433 -19.7787 -19.7777 -19.7344 -19.7343 -18.0463 -18.0462 -8.1820 -8.1820 -4.6452 -4.6448 -4.5903 -4.5903 -4.4483 -4.4479 -0.0289 -0.0289 1.0355 1.0365 1.7614 1.7626 5.2669 5.2669 9.6579 9.6580 10.1649 10.1655 10.6987 10.6994 k = 0.5000 0.5743 0.0000 ( 3416 PWs) bands (ev): -47.8761 -47.8761 -22.6781 -22.6781 -19.9439 -19.9439 -19.7782 -19.7782 -19.7343 -19.7343 -18.0461 -18.0461 -8.1826 -8.1826 -4.6442 -4.6442 -4.5904 -4.5904 -4.4487 -4.4487 -0.0286 -0.0286 1.0384 1.0384 1.7611 1.7611 5.2671 5.2671 9.6566 9.6566 10.1748 10.1748 10.6872 10.6872 Writing output data file NaNO2.save init_run : 2.31s CPU 10.50s WALL ( 1 calls) electrons : 359.64s CPU 365.53s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.09s WALL ( 1 calls) potinit : 0.27s CPU 1.99s WALL ( 1 calls) Called by electrons: c_bands : 359.61s CPU 365.01s WALL ( 1 calls) v_of_rho : 0.13s CPU 1.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.13s CPU 0.60s WALL ( 1 calls) newd : 0.39s CPU 0.44s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.07s WALL ( 452 calls) cegterg : 331.72s CPU 333.64s WALL ( 831 calls) Called by sum_band: Called by *egterg: h_psi : 174.97s CPU 181.59s WALL ( 13892 calls) s_psi : 5.24s CPU 5.82s WALL ( 13892 calls) g_psi : 0.40s CPU 0.48s WALL ( 12609 calls) cdiaghg : 103.74s CPU 102.62s WALL ( 13061 calls) cegterg:over : 28.35s CPU 25.30s WALL ( 12609 calls) cegterg:upda : 4.22s CPU 6.69s WALL ( 12609 calls) cegterg:last : 4.01s CPU 4.84s WALL ( 2444 calls) Called by h_psi: h_psi:vloc : 158.21s CPU 163.84s WALL ( 13892 calls) h_psi:vnl : 16.62s CPU 17.30s WALL ( 13892 calls) add_vuspsi : 2.78s CPU 4.90s WALL ( 13892 calls) General routines calbec : 13.79s CPU 12.30s WALL ( 13892 calls) fft : 0.86s CPU 1.51s WALL ( 19 calls) ffts : 0.01s CPU 0.54s WALL ( 4 calls) fftw : 151.90s CPU 156.91s WALL ( 989992 calls) interpolate : 0.01s CPU 0.54s WALL ( 4 calls) davcio : 0.04s CPU 4.44s WALL ( 904 calls) Parallel routines fft_scatter : 98.73s CPU 101.87s WALL ( 990015 calls) PWSCF : 6m46.38s CPU 8m11.08s WALL This run was terminated on: 16:28:47 9Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=