Program PWSCF v.5.1.1 starts on 27Aug2015 at 7:39:13 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: ./ZrC.save/ file Zr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 21 12 3 463 193 32 Max 22 13 4 470 201 37 Sum 1045 583 187 22419 9409 1639 bravais-lattice index = 14 lattice parameter (alat) = 6.8282 a.u. unit-cell volume = 225.1123 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 16.00 number of Kohn-Sham states= 24 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.828176 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500000 0.866025 0.000000 ) a(3) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for Zr read from file: /home/autes/Pseudo/Zr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8b6e13b1b49db219b5566974d4b37ab4 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for C read from file: /home/autes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Zr 12.00 91.22400 Zr( 1.00) C 4.00 12.01070 C( 1.00) 6 Sym. Ops. (no inversion) 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 ) isym = 2 120 deg rotation - cryst. axis [0,0,1] cryst. s( 2) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 2) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 3) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 3) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 4) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 5) = ( 0.5000000 0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s( 6) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_3v (3m) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3s_v -3s_v G_4 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3s_v -3s_v G_4 0.00 0.00 0.00 0.00 0.00 0.00 G_5 0.00 0.00 0.00 0.00 1.00 -1.00 G_6 0.00 0.00 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 2C3 2 3 3s_v 4 5 -6 3s_v 6 -4 -5 -E -1 -2C3 -2 -3 Cartesian axes number of k points= 409 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024450 k( 2) = ( 0.0080645 -0.0046561 0.0065847), wk = 0.0024450 k( 3) = ( 0.0161290 -0.0093121 0.0131693), wk = 0.0024450 k( 4) = ( 0.0241936 -0.0139682 0.0197540), wk = 0.0024450 k( 5) = ( 0.0322581 -0.0186242 0.0263386), wk = 0.0024450 k( 6) = ( 0.0403226 -0.0232803 0.0329232), wk = 0.0024450 k( 7) = ( 0.0483871 -0.0279363 0.0395079), wk = 0.0024450 k( 8) = ( 0.0564516 -0.0325924 0.0460925), wk = 0.0024450 k( 9) = ( 0.0645161 -0.0372484 0.0526772), wk = 0.0024450 k( 10) = ( 0.0725806 -0.0419045 0.0592619), wk = 0.0024450 k( 11) = ( 0.0806452 -0.0465605 0.0658465), wk = 0.0024450 k( 12) = ( 0.0887097 -0.0512166 0.0724312), wk = 0.0024450 k( 13) = ( 0.0967742 -0.0558726 0.0790158), wk = 0.0024450 k( 14) = ( 0.1048387 -0.0605287 0.0856004), wk = 0.0024450 k( 15) = ( 0.1129032 -0.0651847 0.0921851), wk = 0.0024450 k( 16) = ( 0.1209677 -0.0698408 0.0987697), wk = 0.0024450 k( 17) = ( 0.1290323 -0.0744968 0.1053544), wk = 0.0024450 k( 18) = ( 0.1370968 -0.0791529 0.1119390), wk = 0.0024450 k( 19) = ( 0.1451613 -0.0838089 0.1185237), wk = 0.0024450 k( 20) = ( 0.1532258 -0.0884650 0.1251083), wk = 0.0024450 k( 21) = ( 0.1612903 -0.0931210 0.1316930), wk = 0.0024450 k( 22) = ( 0.1693548 -0.0977771 0.1382776), wk = 0.0024450 k( 23) = ( 0.1774194 -0.1024331 0.1448623), wk = 0.0024450 k( 24) = ( 0.1854839 -0.1070892 0.1514469), wk = 0.0024450 k( 25) = ( 0.1935484 -0.1117452 0.1580316), wk = 0.0024450 k( 26) = ( 0.2016129 -0.1164013 0.1646162), wk = 0.0024450 k( 27) = ( 0.2096774 -0.1210573 0.1712009), wk = 0.0024450 k( 28) = ( 0.2177419 -0.1257134 0.1777855), wk = 0.0024450 k( 29) = ( 0.2258064 -0.1303694 0.1843702), wk = 0.0024450 k( 30) = ( 0.2338710 -0.1350255 0.1909548), wk = 0.0024450 k( 31) = ( 0.2419355 -0.1396815 0.1975395), wk = 0.0024450 k( 32) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0024450 k( 33) = ( 0.2580645 -0.1489936 0.2107088), wk = 0.0024450 k( 34) = ( 0.2661290 -0.1536497 0.2172934), wk = 0.0024450 k( 35) = ( 0.2741936 -0.1583057 0.2238781), wk = 0.0024450 k( 36) = ( 0.2822581 -0.1629618 0.2304627), wk = 0.0024450 k( 37) = ( 0.2903226 -0.1676178 0.2370474), wk = 0.0024450 k( 38) = ( 0.2983871 -0.1722739 0.2436320), wk = 0.0024450 k( 39) = ( 0.3064516 -0.1769299 0.2502167), wk = 0.0024450 k( 40) = ( 0.3145161 -0.1815860 0.2568013), wk = 0.0024450 k( 41) = ( 0.3225807 -0.1862420 0.2633860), wk = 0.0024450 k( 42) = ( 0.3306452 -0.1908981 0.2699706), wk = 0.0024450 k( 43) = ( 0.3387097 -0.1955541 0.2765553), wk = 0.0024450 k( 44) = ( 0.3467742 -0.2002102 0.2831399), wk = 0.0024450 k( 45) = ( 0.3548387 -0.2048662 0.2897246), wk = 0.0024450 k( 46) = ( 0.3629032 -0.2095223 0.2963092), wk = 0.0024450 k( 47) = ( 0.3709677 -0.2141783 0.3028939), wk = 0.0024450 k( 48) = ( 0.3790323 -0.2188344 0.3094785), wk = 0.0024450 k( 49) = ( 0.3870968 -0.2234904 0.3160632), wk = 0.0024450 k( 50) = ( 0.3951613 -0.2281465 0.3226478), wk = 0.0024450 k( 51) = ( 0.4032258 -0.2328025 0.3292325), wk = 0.0024450 k( 52) = ( 0.4112903 -0.2374586 0.3358171), wk = 0.0024450 k( 53) = ( 0.4193548 -0.2421146 0.3424018), wk = 0.0024450 k( 54) = ( 0.4274193 -0.2467707 0.3489864), wk = 0.0024450 k( 55) = ( 0.4354839 -0.2514267 0.3555711), wk = 0.0024450 k( 56) = ( 0.4435484 -0.2560828 0.3621557), wk = 0.0024450 k( 57) = ( 0.4516129 -0.2607388 0.3687404), wk = 0.0024450 k( 58) = ( 0.4596774 -0.2653949 0.3753250), wk = 0.0024450 k( 59) = ( 0.4677419 -0.2700509 0.3819097), wk = 0.0024450 k( 60) = ( 0.4758064 -0.2747070 0.3884943), wk = 0.0024450 k( 61) = ( 0.4838710 -0.2793630 0.3950790), wk = 0.0024450 k( 62) = ( 0.4919355 -0.2840191 0.4016636), wk = 0.0024450 k( 63) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0024450 k( 64) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0024450 k( 65) = ( 0.5000000 -0.2793630 0.4148329), wk = 0.0024450 k( 66) = ( 0.5000000 -0.2700509 0.4214176), wk = 0.0024450 k( 67) = ( 0.5000000 -0.2607388 0.4280022), wk = 0.0024450 k( 68) = ( 0.5000000 -0.2514267 0.4345869), wk = 0.0024450 k( 69) = ( 0.5000000 -0.2421146 0.4411715), wk = 0.0024450 k( 70) = ( 0.5000000 -0.2328025 0.4477562), wk = 0.0024450 k( 71) = ( 0.5000000 -0.2234904 0.4543408), wk = 0.0024450 k( 72) = ( 0.5000000 -0.2141783 0.4609255), wk = 0.0024450 k( 73) = ( 0.5000000 -0.2048662 0.4675101), wk = 0.0024450 k( 74) = ( 0.5000000 -0.1955541 0.4740948), wk = 0.0024450 k( 75) = ( 0.5000000 -0.1862420 0.4806794), wk = 0.0024450 k( 76) = ( 0.5000000 -0.1769299 0.4872641), wk = 0.0024450 k( 77) = ( 0.5000000 -0.1676178 0.4938487), wk = 0.0024450 k( 78) = ( 0.5000000 -0.1583057 0.5004334), wk = 0.0024450 k( 79) = ( 0.5000000 -0.1489936 0.5070180), wk = 0.0024450 k( 80) = ( 0.5000000 -0.1396815 0.5136027), wk = 0.0024450 k( 81) = ( 0.5000000 -0.1303694 0.5201873), wk = 0.0024450 k( 82) = ( 0.5000000 -0.1210573 0.5267720), wk = 0.0024450 k( 83) = ( 0.5000000 -0.1117452 0.5333566), wk = 0.0024450 k( 84) = ( 0.5000000 -0.1024331 0.5399413), wk = 0.0024450 k( 85) = ( 0.5000000 -0.0931210 0.5465259), wk = 0.0024450 k( 86) = ( 0.5000000 -0.0838089 0.5531106), wk = 0.0024450 k( 87) = ( 0.5000000 -0.0744968 0.5596952), wk = 0.0024450 k( 88) = ( 0.5000000 -0.0651847 0.5662799), wk = 0.0024450 k( 89) = ( 0.5000000 -0.0558726 0.5728645), wk = 0.0024450 k( 90) = ( 0.5000000 -0.0465605 0.5794492), wk = 0.0024450 k( 91) = ( 0.5000000 -0.0372484 0.5860338), wk = 0.0024450 k( 92) = ( 0.5000000 -0.0279363 0.5926185), wk = 0.0024450 k( 93) = ( 0.5000000 -0.0186242 0.5992031), wk = 0.0024450 k( 94) = ( 0.5000000 -0.0093121 0.6057878), wk = 0.0024450 k( 95) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0024450 k( 96) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0024450 k( 97) = ( 0.4943182 0.0098412 0.6123724), wk = 0.0024450 k( 98) = ( 0.4886364 0.0196824 0.6123724), wk = 0.0024450 k( 99) = ( 0.4829545 0.0295236 0.6123724), wk = 0.0024450 k( 100) = ( 0.4772727 0.0393648 0.6123724), wk = 0.0024450 k( 101) = ( 0.4715909 0.0492060 0.6123724), wk = 0.0024450 k( 102) = ( 0.4659091 0.0590472 0.6123724), wk = 0.0024450 k( 103) = ( 0.4602273 0.0688884 0.6123724), wk = 0.0024450 k( 104) = ( 0.4545455 0.0787296 0.6123724), wk = 0.0024450 k( 105) = ( 0.4488636 0.0885708 0.6123724), wk = 0.0024450 k( 106) = ( 0.4431818 0.0984120 0.6123724), wk = 0.0024450 k( 107) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0024450 k( 108) = ( 0.4318182 0.1180944 0.6123724), wk = 0.0024450 k( 109) = ( 0.4261364 0.1279356 0.6123724), wk = 0.0024450 k( 110) = ( 0.4204545 0.1377768 0.6123724), wk = 0.0024450 k( 111) = ( 0.4147727 0.1476180 0.6123724), wk = 0.0024450 k( 112) = ( 0.4090909 0.1574592 0.6123724), wk = 0.0024450 k( 113) = ( 0.4034091 0.1673004 0.6123724), wk = 0.0024450 k( 114) = ( 0.3977273 0.1771416 0.6123724), wk = 0.0024450 k( 115) = ( 0.3920455 0.1869828 0.6123724), wk = 0.0024450 k( 116) = ( 0.3863636 0.1968239 0.6123724), wk = 0.0024450 k( 117) = ( 0.3806818 0.2066652 0.6123724), wk = 0.0024450 k( 118) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0024450 k( 119) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0024450 k( 120) = ( 0.3693182 0.2132260 0.6030941), wk = 0.0024450 k( 121) = ( 0.3636364 0.2099456 0.5938157), wk = 0.0024450 k( 122) = ( 0.3579545 0.2066652 0.5845373), wk = 0.0024450 k( 123) = ( 0.3522727 0.2033848 0.5752589), wk = 0.0024450 k( 124) = ( 0.3465909 0.2001044 0.5659806), wk = 0.0024450 k( 125) = ( 0.3409091 0.1968240 0.5567022), wk = 0.0024450 k( 126) = ( 0.3352273 0.1935436 0.5474239), wk = 0.0024450 k( 127) = ( 0.3295455 0.1902632 0.5381455), wk = 0.0024450 k( 128) = ( 0.3238636 0.1869828 0.5288671), wk = 0.0024450 k( 129) = ( 0.3181818 0.1837024 0.5195887), wk = 0.0024450 k( 130) = ( 0.3125000 0.1804220 0.5103104), wk = 0.0024450 k( 131) = ( 0.3068182 0.1771416 0.5010320), wk = 0.0024450 k( 132) = ( 0.3011364 0.1738612 0.4917536), wk = 0.0024450 k( 133) = ( 0.2954545 0.1705808 0.4824752), wk = 0.0024450 k( 134) = ( 0.2897727 0.1673004 0.4731969), wk = 0.0024450 k( 135) = ( 0.2840909 0.1640200 0.4639185), wk = 0.0024450 k( 136) = ( 0.2784091 0.1607396 0.4546401), wk = 0.0024450 k( 137) = ( 0.2727273 0.1574592 0.4453618), wk = 0.0024450 k( 138) = ( 0.2670455 0.1541788 0.4360834), wk = 0.0024450 k( 139) = ( 0.2613636 0.1508984 0.4268050), wk = 0.0024450 k( 140) = ( 0.2556818 0.1476180 0.4175267), wk = 0.0024450 k( 141) = ( 0.2500000 0.1443376 0.4082483), wk = 0.0024450 k( 142) = ( 0.2443182 0.1410572 0.3989699), wk = 0.0024450 k( 143) = ( 0.2386364 0.1377768 0.3896916), wk = 0.0024450 k( 144) = ( 0.2329546 0.1344964 0.3804132), wk = 0.0024450 k( 145) = ( 0.2272727 0.1312160 0.3711348), wk = 0.0024450 k( 146) = ( 0.2215909 0.1279356 0.3618564), wk = 0.0024450 k( 147) = ( 0.2159091 0.1246552 0.3525781), wk = 0.0024450 k( 148) = ( 0.2102273 0.1213748 0.3432997), wk = 0.0024450 k( 149) = ( 0.2045454 0.1180944 0.3340213), wk = 0.0024450 k( 150) = ( 0.1988636 0.1148140 0.3247430), wk = 0.0024450 k( 151) = ( 0.1931818 0.1115336 0.3154646), wk = 0.0024450 k( 152) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0024450 k( 153) = ( 0.1818182 0.1049728 0.2969078), wk = 0.0024450 k( 154) = ( 0.1761364 0.1016924 0.2876295), wk = 0.0024450 k( 155) = ( 0.1704546 0.0984120 0.2783511), wk = 0.0024450 k( 156) = ( 0.1647727 0.0951316 0.2690727), wk = 0.0024450 k( 157) = ( 0.1590909 0.0918512 0.2597944), wk = 0.0024450 k( 158) = ( 0.1534091 0.0885708 0.2505160), wk = 0.0024450 k( 159) = ( 0.1477273 0.0852904 0.2412376), wk = 0.0024450 k( 160) = ( 0.1420454 0.0820100 0.2319593), wk = 0.0024450 k( 161) = ( 0.1363636 0.0787296 0.2226809), wk = 0.0024450 k( 162) = ( 0.1306818 0.0754492 0.2134025), wk = 0.0024450 k( 163) = ( 0.1250000 0.0721688 0.2041241), wk = 0.0024450 k( 164) = ( 0.1193182 0.0688884 0.1948458), wk = 0.0024450 k( 165) = ( 0.1136364 0.0656080 0.1855674), wk = 0.0024450 k( 166) = ( 0.1079545 0.0623276 0.1762890), wk = 0.0024450 k( 167) = ( 0.1022727 0.0590472 0.1670107), wk = 0.0024450 k( 168) = ( 0.0965909 0.0557668 0.1577323), wk = 0.0024450 k( 169) = ( 0.0909091 0.0524864 0.1484539), wk = 0.0024450 k( 170) = ( 0.0852273 0.0492060 0.1391756), wk = 0.0024450 k( 171) = ( 0.0795455 0.0459256 0.1298972), wk = 0.0024450 k( 172) = ( 0.0738636 0.0426452 0.1206188), wk = 0.0024450 k( 173) = ( 0.0681818 0.0393648 0.1113404), wk = 0.0024450 k( 174) = ( 0.0625000 0.0360844 0.1020621), wk = 0.0024450 k( 175) = ( 0.0568182 0.0328040 0.0927837), wk = 0.0024450 k( 176) = ( 0.0511364 0.0295236 0.0835053), wk = 0.0024450 k( 177) = ( 0.0454546 0.0262432 0.0742270), wk = 0.0024450 k( 178) = ( 0.0397727 0.0229628 0.0649486), wk = 0.0024450 k( 179) = ( 0.0340909 0.0196824 0.0556702), wk = 0.0024450 k( 180) = ( 0.0284091 0.0164020 0.0463918), wk = 0.0024450 k( 181) = ( 0.0227273 0.0131216 0.0371135), wk = 0.0024450 k( 182) = ( 0.0170455 0.0098412 0.0278351), wk = 0.0024450 k( 183) = ( 0.0113636 0.0065608 0.0185567), wk = 0.0024450 k( 184) = ( 0.0056818 0.0032804 0.0092784), wk = 0.0024450 k( 185) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024450 k( 186) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024450 k( 187) = ( 0.0092593 0.0053458 0.0037801), wk = 0.0024450 k( 188) = ( 0.0185185 0.0106917 0.0075602), wk = 0.0024450 k( 189) = ( 0.0277778 0.0160375 0.0113402), wk = 0.0024450 k( 190) = ( 0.0370370 0.0213833 0.0151203), wk = 0.0024450 k( 191) = ( 0.0462963 0.0267292 0.0189004), wk = 0.0024450 k( 192) = ( 0.0555556 0.0320750 0.0226805), wk = 0.0024450 k( 193) = ( 0.0648148 0.0374208 0.0264605), wk = 0.0024450 k( 194) = ( 0.0740741 0.0427667 0.0302406), wk = 0.0024450 k( 195) = ( 0.0833333 0.0481125 0.0340207), wk = 0.0024450 k( 196) = ( 0.0925926 0.0534584 0.0378008), wk = 0.0024450 k( 197) = ( 0.1018518 0.0588042 0.0415808), wk = 0.0024450 k( 198) = ( 0.1111111 0.0641500 0.0453609), wk = 0.0024450 k( 199) = ( 0.1203704 0.0694959 0.0491410), wk = 0.0024450 k( 200) = ( 0.1296296 0.0748417 0.0529211), wk = 0.0024450 k( 201) = ( 0.1388889 0.0801875 0.0567012), wk = 0.0024450 k( 202) = ( 0.1481482 0.0855334 0.0604812), wk = 0.0024450 k( 203) = ( 0.1574074 0.0908792 0.0642613), wk = 0.0024450 k( 204) = ( 0.1666667 0.0962250 0.0680414), wk = 0.0024450 k( 205) = ( 0.1759259 0.1015709 0.0718215), wk = 0.0024450 k( 206) = ( 0.1851852 0.1069167 0.0756015), wk = 0.0024450 k( 207) = ( 0.1944444 0.1122625 0.0793816), wk = 0.0024450 k( 208) = ( 0.2037037 0.1176084 0.0831617), wk = 0.0024450 k( 209) = ( 0.2129630 0.1229542 0.0869418), wk = 0.0024450 k( 210) = ( 0.2222222 0.1283001 0.0907218), wk = 0.0024450 k( 211) = ( 0.2314815 0.1336459 0.0945019), wk = 0.0024450 k( 212) = ( 0.2407407 0.1389917 0.0982820), wk = 0.0024450 k( 213) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0024450 k( 214) = ( 0.2592593 0.1496834 0.1058421), wk = 0.0024450 k( 215) = ( 0.2685185 0.1550292 0.1096222), wk = 0.0024450 k( 216) = ( 0.2777778 0.1603751 0.1134023), wk = 0.0024450 k( 217) = ( 0.2870370 0.1657209 0.1171824), wk = 0.0024450 k( 218) = ( 0.2962963 0.1710667 0.1209625), wk = 0.0024450 k( 219) = ( 0.3055556 0.1764126 0.1247425), wk = 0.0024450 k( 220) = ( 0.3148148 0.1817584 0.1285226), wk = 0.0024450 k( 221) = ( 0.3240741 0.1871043 0.1323027), wk = 0.0024450 k( 222) = ( 0.3333333 0.1924501 0.1360828), wk = 0.0024450 k( 223) = ( 0.3425926 0.1977959 0.1398628), wk = 0.0024450 k( 224) = ( 0.3518519 0.2031418 0.1436429), wk = 0.0024450 k( 225) = ( 0.3611111 0.2084876 0.1474230), wk = 0.0024450 k( 226) = ( 0.3703704 0.2138334 0.1512031), wk = 0.0024450 k( 227) = ( 0.3796296 0.2191793 0.1549831), wk = 0.0024450 k( 228) = ( 0.3888889 0.2245251 0.1587632), wk = 0.0024450 k( 229) = ( 0.3981481 0.2298709 0.1625433), wk = 0.0024450 k( 230) = ( 0.4074074 0.2352168 0.1663234), wk = 0.0024450 k( 231) = ( 0.4166667 0.2405626 0.1701035), wk = 0.0024450 k( 232) = ( 0.4259259 0.2459085 0.1738835), wk = 0.0024450 k( 233) = ( 0.4351852 0.2512543 0.1776636), wk = 0.0024450 k( 234) = ( 0.4444444 0.2566001 0.1814437), wk = 0.0024450 k( 235) = ( 0.4537037 0.2619460 0.1852238), wk = 0.0024450 k( 236) = ( 0.4629630 0.2672918 0.1890038), wk = 0.0024450 k( 237) = ( 0.4722222 0.2726376 0.1927839), wk = 0.0024450 k( 238) = ( 0.4814815 0.2779835 0.1965640), wk = 0.0024450 k( 239) = ( 0.4907407 0.2833293 0.2003441), wk = 0.0024450 k( 240) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0024450 k( 241) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0024450 k( 242) = ( 0.5032895 0.2791792 0.2094958), wk = 0.0024450 k( 243) = ( 0.5065789 0.2696834 0.2148675), wk = 0.0024450 k( 244) = ( 0.5098684 0.2601875 0.2202392), wk = 0.0024450 k( 245) = ( 0.5131579 0.2506916 0.2256109), wk = 0.0024450 k( 246) = ( 0.5164474 0.2411957 0.2309826), wk = 0.0024450 k( 247) = ( 0.5197368 0.2316998 0.2363543), wk = 0.0024450 k( 248) = ( 0.5230263 0.2222039 0.2417260), wk = 0.0024450 k( 249) = ( 0.5263158 0.2127080 0.2470977), wk = 0.0024450 k( 250) = ( 0.5296053 0.2032121 0.2524693), wk = 0.0024450 k( 251) = ( 0.5328947 0.1937162 0.2578410), wk = 0.0024450 k( 252) = ( 0.5361842 0.1842203 0.2632127), wk = 0.0024450 k( 253) = ( 0.5394737 0.1747244 0.2685844), wk = 0.0024450 k( 254) = ( 0.5427632 0.1652285 0.2739561), wk = 0.0024450 k( 255) = ( 0.5460526 0.1557326 0.2793278), wk = 0.0024450 k( 256) = ( 0.5493421 0.1462367 0.2846995), wk = 0.0024450 k( 257) = ( 0.5526316 0.1367409 0.2900712), wk = 0.0024450 k( 258) = ( 0.5559211 0.1272450 0.2954428), wk = 0.0024450 k( 259) = ( 0.5592105 0.1177491 0.3008145), wk = 0.0024450 k( 260) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0024450 k( 261) = ( 0.5657895 0.0987573 0.3115579), wk = 0.0024450 k( 262) = ( 0.5690789 0.0892614 0.3169296), wk = 0.0024450 k( 263) = ( 0.5723684 0.0797655 0.3223013), wk = 0.0024450 k( 264) = ( 0.5756579 0.0702696 0.3276730), wk = 0.0024450 k( 265) = ( 0.5789474 0.0607737 0.3330447), wk = 0.0024450 k( 266) = ( 0.5822368 0.0512778 0.3384163), wk = 0.0024450 k( 267) = ( 0.5855263 0.0417819 0.3437880), wk = 0.0024450 k( 268) = ( 0.5888158 0.0322860 0.3491597), wk = 0.0024450 k( 269) = ( 0.5921053 0.0227901 0.3545314), wk = 0.0024450 k( 270) = ( 0.5953947 0.0132943 0.3599031), wk = 0.0024450 k( 271) = ( 0.5986842 0.0037984 0.3652748), wk = 0.0024450 k( 272) = ( 0.6019737 -0.0056975 0.3706465), wk = 0.0024450 k( 273) = ( 0.6052632 -0.0151934 0.3760182), wk = 0.0024450 k( 274) = ( 0.6085526 -0.0246893 0.3813898), wk = 0.0024450 k( 275) = ( 0.6118421 -0.0341852 0.3867615), wk = 0.0024450 k( 276) = ( 0.6151316 -0.0436811 0.3921332), wk = 0.0024450 k( 277) = ( 0.6184211 -0.0531770 0.3975049), wk = 0.0024450 k( 278) = ( 0.6217105 -0.0626729 0.4028766), wk = 0.0024450 k( 279) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0024450 k( 280) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0024450 k( 281) = ( 0.6193182 -0.0688884 0.4175267), wk = 0.0024450 k( 282) = ( 0.6136364 -0.0656080 0.4268050), wk = 0.0024450 k( 283) = ( 0.6079545 -0.0623276 0.4360834), wk = 0.0024450 k( 284) = ( 0.6022727 -0.0590472 0.4453618), wk = 0.0024450 k( 285) = ( 0.5965909 -0.0557668 0.4546401), wk = 0.0024450 k( 286) = ( 0.5909091 -0.0524864 0.4639185), wk = 0.0024450 k( 287) = ( 0.5852273 -0.0492060 0.4731969), wk = 0.0024450 k( 288) = ( 0.5795455 -0.0459256 0.4824753), wk = 0.0024450 k( 289) = ( 0.5738636 -0.0426452 0.4917536), wk = 0.0024450 k( 290) = ( 0.5681818 -0.0393648 0.5010320), wk = 0.0024450 k( 291) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0024450 k( 292) = ( 0.5568182 -0.0328040 0.5195887), wk = 0.0024450 k( 293) = ( 0.5511364 -0.0295236 0.5288671), wk = 0.0024450 k( 294) = ( 0.5454545 -0.0262432 0.5381455), wk = 0.0024450 k( 295) = ( 0.5397727 -0.0229628 0.5474238), wk = 0.0024450 k( 296) = ( 0.5340909 -0.0196824 0.5567022), wk = 0.0024450 k( 297) = ( 0.5284091 -0.0164020 0.5659806), wk = 0.0024450 k( 298) = ( 0.5227273 -0.0131216 0.5752590), wk = 0.0024450 k( 299) = ( 0.5170455 -0.0098412 0.5845373), wk = 0.0024450 k( 300) = ( 0.5113636 -0.0065608 0.5938157), wk = 0.0024450 k( 301) = ( 0.5056818 -0.0032804 0.6030941), wk = 0.0024450 k( 302) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0024450 k( 303) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0024450 k( 304) = ( 0.5000000 0.0065608 0.6030941), wk = 0.0024450 k( 305) = ( 0.5000000 0.0131216 0.5938157), wk = 0.0024450 k( 306) = ( 0.5000000 0.0196824 0.5845373), wk = 0.0024450 k( 307) = ( 0.5000000 0.0262432 0.5752590), wk = 0.0024450 k( 308) = ( 0.5000000 0.0328040 0.5659806), wk = 0.0024450 k( 309) = ( 0.5000000 0.0393648 0.5567022), wk = 0.0024450 k( 310) = ( 0.5000000 0.0459256 0.5474238), wk = 0.0024450 k( 311) = ( 0.5000000 0.0524864 0.5381455), wk = 0.0024450 k( 312) = ( 0.5000000 0.0590472 0.5288671), wk = 0.0024450 k( 313) = ( 0.5000000 0.0656080 0.5195887), wk = 0.0024450 k( 314) = ( 0.5000000 0.0721688 0.5103104), wk = 0.0024450 k( 315) = ( 0.5000000 0.0787296 0.5010320), wk = 0.0024450 k( 316) = ( 0.5000000 0.0852904 0.4917536), wk = 0.0024450 k( 317) = ( 0.5000000 0.0918512 0.4824753), wk = 0.0024450 k( 318) = ( 0.5000000 0.0984120 0.4731969), wk = 0.0024450 k( 319) = ( 0.5000000 0.1049728 0.4639185), wk = 0.0024450 k( 320) = ( 0.5000000 0.1115336 0.4546401), wk = 0.0024450 k( 321) = ( 0.5000000 0.1180944 0.4453618), wk = 0.0024450 k( 322) = ( 0.5000000 0.1246552 0.4360834), wk = 0.0024450 k( 323) = ( 0.5000000 0.1312160 0.4268050), wk = 0.0024450 k( 324) = ( 0.5000000 0.1377768 0.4175267), wk = 0.0024450 k( 325) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0024450 k( 326) = ( 0.5000000 0.1508984 0.3989699), wk = 0.0024450 k( 327) = ( 0.5000000 0.1574592 0.3896915), wk = 0.0024450 k( 328) = ( 0.5000000 0.1640200 0.3804132), wk = 0.0024450 k( 329) = ( 0.5000000 0.1705808 0.3711348), wk = 0.0024450 k( 330) = ( 0.5000000 0.1771416 0.3618564), wk = 0.0024450 k( 331) = ( 0.5000000 0.1837024 0.3525781), wk = 0.0024450 k( 332) = ( 0.5000000 0.1902632 0.3432997), wk = 0.0024450 k( 333) = ( 0.5000000 0.1968240 0.3340213), wk = 0.0024450 k( 334) = ( 0.5000000 0.2033847 0.3247430), wk = 0.0024450 k( 335) = ( 0.5000000 0.2099456 0.3154646), wk = 0.0024450 k( 336) = ( 0.5000000 0.2165064 0.3061862), wk = 0.0024450 k( 337) = ( 0.5000000 0.2230672 0.2969078), wk = 0.0024450 k( 338) = ( 0.5000000 0.2296280 0.2876295), wk = 0.0024450 k( 339) = ( 0.5000000 0.2361887 0.2783511), wk = 0.0024450 k( 340) = ( 0.5000000 0.2427495 0.2690727), wk = 0.0024450 k( 341) = ( 0.5000000 0.2493103 0.2597944), wk = 0.0024450 k( 342) = ( 0.5000000 0.2558711 0.2505160), wk = 0.0024450 k( 343) = ( 0.5000000 0.2624319 0.2412376), wk = 0.0024450 k( 344) = ( 0.5000000 0.2689927 0.2319592), wk = 0.0024450 k( 345) = ( 0.5000000 0.2755535 0.2226809), wk = 0.0024450 k( 346) = ( 0.5000000 0.2821143 0.2134025), wk = 0.0024450 k( 347) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0024450 k( 348) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0024450 k( 349) = ( 0.4967105 0.2867760 0.2148675), wk = 0.0024450 k( 350) = ( 0.4934211 0.2848768 0.2256109), wk = 0.0024450 k( 351) = ( 0.4901316 0.2829776 0.2363543), wk = 0.0024450 k( 352) = ( 0.4868421 0.2810784 0.2470976), wk = 0.0024450 k( 353) = ( 0.4835526 0.2791792 0.2578410), wk = 0.0024450 k( 354) = ( 0.4802632 0.2772801 0.2685844), wk = 0.0024450 k( 355) = ( 0.4769737 0.2753809 0.2793278), wk = 0.0024450 k( 356) = ( 0.4736842 0.2734817 0.2900712), wk = 0.0024450 k( 357) = ( 0.4703947 0.2715825 0.3008145), wk = 0.0024450 k( 358) = ( 0.4671053 0.2696833 0.3115579), wk = 0.0024450 k( 359) = ( 0.4638158 0.2677842 0.3223013), wk = 0.0024450 k( 360) = ( 0.4605263 0.2658850 0.3330447), wk = 0.0024450 k( 361) = ( 0.4572368 0.2639858 0.3437880), wk = 0.0024450 k( 362) = ( 0.4539474 0.2620866 0.3545314), wk = 0.0024450 k( 363) = ( 0.4506579 0.2601875 0.3652748), wk = 0.0024450 k( 364) = ( 0.4473684 0.2582883 0.3760182), wk = 0.0024450 k( 365) = ( 0.4440789 0.2563891 0.3867615), wk = 0.0024450 k( 366) = ( 0.4407895 0.2544899 0.3975049), wk = 0.0024450 k( 367) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0024450 k( 368) = ( 0.4342105 0.2506916 0.4189917), wk = 0.0024450 k( 369) = ( 0.4309211 0.2487924 0.4297350), wk = 0.0024450 k( 370) = ( 0.4276316 0.2468932 0.4404784), wk = 0.0024450 k( 371) = ( 0.4243421 0.2449940 0.4512218), wk = 0.0024450 k( 372) = ( 0.4210526 0.2430948 0.4619652), wk = 0.0024450 k( 373) = ( 0.4177632 0.2411957 0.4727085), wk = 0.0024450 k( 374) = ( 0.4144737 0.2392965 0.4834519), wk = 0.0024450 k( 375) = ( 0.4111842 0.2373973 0.4941953), wk = 0.0024450 k( 376) = ( 0.4078947 0.2354981 0.5049387), wk = 0.0024450 k( 377) = ( 0.4046053 0.2335990 0.5156820), wk = 0.0024450 k( 378) = ( 0.4013158 0.2316998 0.5264254), wk = 0.0024450 k( 379) = ( 0.3980263 0.2298006 0.5371688), wk = 0.0024450 k( 380) = ( 0.3947368 0.2279014 0.5479122), wk = 0.0024450 k( 381) = ( 0.3914474 0.2260022 0.5586556), wk = 0.0024450 k( 382) = ( 0.3881579 0.2241031 0.5693989), wk = 0.0024450 k( 383) = ( 0.3848684 0.2222039 0.5801423), wk = 0.0024450 k( 384) = ( 0.3815789 0.2203047 0.5908857), wk = 0.0024450 k( 385) = ( 0.3782895 0.2184055 0.6016291), wk = 0.0024450 k( 386) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0024450 k( 387) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0024450 k( 388) = ( 0.6193182 -0.0820100 0.4082483), wk = 0.0024450 k( 389) = ( 0.6136364 -0.0918512 0.4082483), wk = 0.0024450 k( 390) = ( 0.6079545 -0.1016924 0.4082483), wk = 0.0024450 k( 391) = ( 0.6022727 -0.1115336 0.4082483), wk = 0.0024450 k( 392) = ( 0.5965909 -0.1213748 0.4082483), wk = 0.0024450 k( 393) = ( 0.5909091 -0.1312160 0.4082483), wk = 0.0024450 k( 394) = ( 0.5852273 -0.1410572 0.4082483), wk = 0.0024450 k( 395) = ( 0.5795455 -0.1508984 0.4082483), wk = 0.0024450 k( 396) = ( 0.5738636 -0.1607396 0.4082483), wk = 0.0024450 k( 397) = ( 0.5681818 -0.1705808 0.4082483), wk = 0.0024450 k( 398) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0024450 k( 399) = ( 0.5568182 -0.1902632 0.4082483), wk = 0.0024450 k( 400) = ( 0.5511364 -0.2001043 0.4082483), wk = 0.0024450 k( 401) = ( 0.5454545 -0.2099456 0.4082483), wk = 0.0024450 k( 402) = ( 0.5397727 -0.2197868 0.4082483), wk = 0.0024450 k( 403) = ( 0.5340909 -0.2296279 0.4082483), wk = 0.0024450 k( 404) = ( 0.5284091 -0.2394691 0.4082483), wk = 0.0024450 k( 405) = ( 0.5227273 -0.2493103 0.4082483), wk = 0.0024450 k( 406) = ( 0.5170455 -0.2591515 0.4082483), wk = 0.0024450 k( 407) = ( 0.5113636 -0.2689927 0.4082483), wk = 0.0024450 k( 408) = ( 0.5056818 -0.2788339 0.4082483), wk = 0.0024450 k( 409) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0024450 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024450 k( 2) = ( 0.0080645 0.0000000 0.0080645), wk = 0.0024450 k( 3) = ( 0.0161290 0.0000000 0.0161290), wk = 0.0024450 k( 4) = ( 0.0241936 0.0000000 0.0241936), wk = 0.0024450 k( 5) = ( 0.0322581 0.0000000 0.0322581), wk = 0.0024450 k( 6) = ( 0.0403226 0.0000000 0.0403226), wk = 0.0024450 k( 7) = ( 0.0483871 0.0000000 0.0483871), wk = 0.0024450 k( 8) = ( 0.0564516 0.0000000 0.0564516), wk = 0.0024450 k( 9) = ( 0.0645161 0.0000000 0.0645161), wk = 0.0024450 k( 10) = ( 0.0725806 0.0000000 0.0725806), wk = 0.0024450 k( 11) = ( 0.0806452 0.0000000 0.0806452), wk = 0.0024450 k( 12) = ( 0.0887097 0.0000000 0.0887097), wk = 0.0024450 k( 13) = ( 0.0967742 0.0000000 0.0967742), wk = 0.0024450 k( 14) = ( 0.1048387 0.0000000 0.1048387), wk = 0.0024450 k( 15) = ( 0.1129032 0.0000000 0.1129032), wk = 0.0024450 k( 16) = ( 0.1209677 0.0000000 0.1209677), wk = 0.0024450 k( 17) = ( 0.1290323 0.0000000 0.1290323), wk = 0.0024450 k( 18) = ( 0.1370968 0.0000000 0.1370968), wk = 0.0024450 k( 19) = ( 0.1451613 0.0000000 0.1451613), wk = 0.0024450 k( 20) = ( 0.1532258 0.0000000 0.1532258), wk = 0.0024450 k( 21) = ( 0.1612903 0.0000000 0.1612903), wk = 0.0024450 k( 22) = ( 0.1693548 0.0000000 0.1693548), wk = 0.0024450 k( 23) = ( 0.1774194 0.0000000 0.1774194), wk = 0.0024450 k( 24) = ( 0.1854839 0.0000000 0.1854839), wk = 0.0024450 k( 25) = ( 0.1935484 0.0000000 0.1935484), wk = 0.0024450 k( 26) = ( 0.2016129 0.0000000 0.2016129), wk = 0.0024450 k( 27) = ( 0.2096774 0.0000000 0.2096774), wk = 0.0024450 k( 28) = ( 0.2177419 0.0000000 0.2177419), wk = 0.0024450 k( 29) = ( 0.2258064 0.0000000 0.2258065), wk = 0.0024450 k( 30) = ( 0.2338710 0.0000000 0.2338710), wk = 0.0024450 k( 31) = ( 0.2419355 0.0000000 0.2419355), wk = 0.0024450 k( 32) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0024450 k( 33) = ( 0.2580645 0.0000000 0.2580645), wk = 0.0024450 k( 34) = ( 0.2661290 0.0000000 0.2661290), wk = 0.0024450 k( 35) = ( 0.2741936 0.0000000 0.2741936), wk = 0.0024450 k( 36) = ( 0.2822581 0.0000000 0.2822581), wk = 0.0024450 k( 37) = ( 0.2903226 0.0000000 0.2903226), wk = 0.0024450 k( 38) = ( 0.2983871 0.0000000 0.2983871), wk = 0.0024450 k( 39) = ( 0.3064516 0.0000000 0.3064516), wk = 0.0024450 k( 40) = ( 0.3145161 0.0000000 0.3145161), wk = 0.0024450 k( 41) = ( 0.3225807 0.0000000 0.3225807), wk = 0.0024450 k( 42) = ( 0.3306452 0.0000000 0.3306452), wk = 0.0024450 k( 43) = ( 0.3387097 0.0000000 0.3387097), wk = 0.0024450 k( 44) = ( 0.3467742 0.0000000 0.3467742), wk = 0.0024450 k( 45) = ( 0.3548387 0.0000000 0.3548387), wk = 0.0024450 k( 46) = ( 0.3629032 0.0000000 0.3629032), wk = 0.0024450 k( 47) = ( 0.3709677 0.0000000 0.3709677), wk = 0.0024450 k( 48) = ( 0.3790323 0.0000000 0.3790323), wk = 0.0024450 k( 49) = ( 0.3870968 0.0000000 0.3870968), wk = 0.0024450 k( 50) = ( 0.3951613 0.0000000 0.3951613), wk = 0.0024450 k( 51) = ( 0.4032258 0.0000000 0.4032258), wk = 0.0024450 k( 52) = ( 0.4112903 0.0000000 0.4112903), wk = 0.0024450 k( 53) = ( 0.4193548 0.0000000 0.4193548), wk = 0.0024450 k( 54) = ( 0.4274193 0.0000000 0.4274193), wk = 0.0024450 k( 55) = ( 0.4354839 0.0000000 0.4354839), wk = 0.0024450 k( 56) = ( 0.4435484 0.0000000 0.4435484), wk = 0.0024450 k( 57) = ( 0.4516129 0.0000000 0.4516129), wk = 0.0024450 k( 58) = ( 0.4596774 0.0000000 0.4596774), wk = 0.0024450 k( 59) = ( 0.4677419 0.0000000 0.4677419), wk = 0.0024450 k( 60) = ( 0.4758064 0.0000000 0.4758064), wk = 0.0024450 k( 61) = ( 0.4838710 0.0000000 0.4838710), wk = 0.0024450 k( 62) = ( 0.4919355 0.0000000 0.4919355), wk = 0.0024450 k( 63) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0024450 k( 64) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0024450 k( 65) = ( 0.5000000 0.0080645 0.5080645), wk = 0.0024450 k( 66) = ( 0.5000000 0.0161290 0.5161290), wk = 0.0024450 k( 67) = ( 0.5000000 0.0241936 0.5241936), wk = 0.0024450 k( 68) = ( 0.5000000 0.0322581 0.5322581), wk = 0.0024450 k( 69) = ( 0.5000000 0.0403226 0.5403226), wk = 0.0024450 k( 70) = ( 0.5000000 0.0483871 0.5483871), wk = 0.0024450 k( 71) = ( 0.5000000 0.0564516 0.5564516), wk = 0.0024450 k( 72) = ( 0.5000000 0.0645161 0.5645161), wk = 0.0024450 k( 73) = ( 0.5000000 0.0725807 0.5725807), wk = 0.0024450 k( 74) = ( 0.5000000 0.0806452 0.5806452), wk = 0.0024450 k( 75) = ( 0.5000000 0.0887097 0.5887097), wk = 0.0024450 k( 76) = ( 0.5000000 0.0967742 0.5967742), wk = 0.0024450 k( 77) = ( 0.5000000 0.1048387 0.6048387), wk = 0.0024450 k( 78) = ( 0.5000000 0.1129032 0.6129032), wk = 0.0024450 k( 79) = ( 0.5000000 0.1209677 0.6209677), wk = 0.0024450 k( 80) = ( 0.5000000 0.1290323 0.6290323), wk = 0.0024450 k( 81) = ( 0.5000000 0.1370968 0.6370968), wk = 0.0024450 k( 82) = ( 0.5000000 0.1451613 0.6451613), wk = 0.0024450 k( 83) = ( 0.5000000 0.1532258 0.6532258), wk = 0.0024450 k( 84) = ( 0.5000000 0.1612903 0.6612903), wk = 0.0024450 k( 85) = ( 0.5000000 0.1693548 0.6693548), wk = 0.0024450 k( 86) = ( 0.5000000 0.1774194 0.6774194), wk = 0.0024450 k( 87) = ( 0.5000000 0.1854839 0.6854839), wk = 0.0024450 k( 88) = ( 0.5000000 0.1935484 0.6935484), wk = 0.0024450 k( 89) = ( 0.5000000 0.2016129 0.7016129), wk = 0.0024450 k( 90) = ( 0.5000000 0.2096774 0.7096774), wk = 0.0024450 k( 91) = ( 0.5000000 0.2177419 0.7177419), wk = 0.0024450 k( 92) = ( 0.5000000 0.2258064 0.7258064), wk = 0.0024450 k( 93) = ( 0.5000000 0.2338710 0.7338710), wk = 0.0024450 k( 94) = ( 0.5000000 0.2419355 0.7419355), wk = 0.0024450 k( 95) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0024450 k( 96) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0024450 k( 97) = ( 0.4943182 0.2556818 0.7500000), wk = 0.0024450 k( 98) = ( 0.4886364 0.2613636 0.7500000), wk = 0.0024450 k( 99) = ( 0.4829545 0.2670455 0.7500000), wk = 0.0024450 k( 100) = ( 0.4772727 0.2727273 0.7500000), wk = 0.0024450 k( 101) = ( 0.4715909 0.2784091 0.7500000), wk = 0.0024450 k( 102) = ( 0.4659091 0.2840909 0.7500000), wk = 0.0024450 k( 103) = ( 0.4602273 0.2897727 0.7500000), wk = 0.0024450 k( 104) = ( 0.4545455 0.2954546 0.7500000), wk = 0.0024450 k( 105) = ( 0.4488636 0.3011364 0.7500000), wk = 0.0024450 k( 106) = ( 0.4431818 0.3068182 0.7500000), wk = 0.0024450 k( 107) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0024450 k( 108) = ( 0.4318182 0.3181818 0.7500000), wk = 0.0024450 k( 109) = ( 0.4261364 0.3238636 0.7500000), wk = 0.0024450 k( 110) = ( 0.4204545 0.3295455 0.7500000), wk = 0.0024450 k( 111) = ( 0.4147727 0.3352273 0.7500000), wk = 0.0024450 k( 112) = ( 0.4090909 0.3409091 0.7500000), wk = 0.0024450 k( 113) = ( 0.4034091 0.3465909 0.7500000), wk = 0.0024450 k( 114) = ( 0.3977273 0.3522727 0.7500000), wk = 0.0024450 k( 115) = ( 0.3920455 0.3579545 0.7500000), wk = 0.0024450 k( 116) = ( 0.3863636 0.3636364 0.7500000), wk = 0.0024450 k( 117) = ( 0.3806818 0.3693182 0.7500000), wk = 0.0024450 k( 118) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0024450 k( 119) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0024450 k( 120) = ( 0.3693182 0.3693182 0.7386364), wk = 0.0024450 k( 121) = ( 0.3636364 0.3636364 0.7272727), wk = 0.0024450 k( 122) = ( 0.3579545 0.3579545 0.7159091), wk = 0.0024450 k( 123) = ( 0.3522727 0.3522727 0.7045455), wk = 0.0024450 k( 124) = ( 0.3465909 0.3465909 0.6931818), wk = 0.0024450 k( 125) = ( 0.3409091 0.3409091 0.6818182), wk = 0.0024450 k( 126) = ( 0.3352273 0.3352273 0.6704545), wk = 0.0024450 k( 127) = ( 0.3295455 0.3295455 0.6590909), wk = 0.0024450 k( 128) = ( 0.3238636 0.3238636 0.6477273), wk = 0.0024450 k( 129) = ( 0.3181818 0.3181818 0.6363636), wk = 0.0024450 k( 130) = ( 0.3125000 0.3125000 0.6250000), wk = 0.0024450 k( 131) = ( 0.3068182 0.3068182 0.6136364), wk = 0.0024450 k( 132) = ( 0.3011364 0.3011364 0.6022727), wk = 0.0024450 k( 133) = ( 0.2954545 0.2954545 0.5909091), wk = 0.0024450 k( 134) = ( 0.2897727 0.2897727 0.5795455), wk = 0.0024450 k( 135) = ( 0.2840909 0.2840909 0.5681818), wk = 0.0024450 k( 136) = ( 0.2784091 0.2784091 0.5568182), wk = 0.0024450 k( 137) = ( 0.2727273 0.2727273 0.5454545), wk = 0.0024450 k( 138) = ( 0.2670455 0.2670455 0.5340909), wk = 0.0024450 k( 139) = ( 0.2613636 0.2613636 0.5227273), wk = 0.0024450 k( 140) = ( 0.2556818 0.2556818 0.5113636), wk = 0.0024450 k( 141) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0024450 k( 142) = ( 0.2443182 0.2443182 0.4886364), wk = 0.0024450 k( 143) = ( 0.2386364 0.2386364 0.4772727), wk = 0.0024450 k( 144) = ( 0.2329546 0.2329546 0.4659091), wk = 0.0024450 k( 145) = ( 0.2272727 0.2272727 0.4545454), wk = 0.0024450 k( 146) = ( 0.2215909 0.2215909 0.4431818), wk = 0.0024450 k( 147) = ( 0.2159091 0.2159091 0.4318182), wk = 0.0024450 k( 148) = ( 0.2102273 0.2102273 0.4204545), wk = 0.0024450 k( 149) = ( 0.2045454 0.2045455 0.4090909), wk = 0.0024450 k( 150) = ( 0.1988636 0.1988636 0.3977273), wk = 0.0024450 k( 151) = ( 0.1931818 0.1931818 0.3863636), wk = 0.0024450 k( 152) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0024450 k( 153) = ( 0.1818182 0.1818182 0.3636364), wk = 0.0024450 k( 154) = ( 0.1761364 0.1761364 0.3522727), wk = 0.0024450 k( 155) = ( 0.1704546 0.1704545 0.3409091), wk = 0.0024450 k( 156) = ( 0.1647727 0.1647727 0.3295455), wk = 0.0024450 k( 157) = ( 0.1590909 0.1590909 0.3181818), wk = 0.0024450 k( 158) = ( 0.1534091 0.1534091 0.3068182), wk = 0.0024450 k( 159) = ( 0.1477273 0.1477273 0.2954545), wk = 0.0024450 k( 160) = ( 0.1420454 0.1420454 0.2840909), wk = 0.0024450 k( 161) = ( 0.1363636 0.1363636 0.2727273), wk = 0.0024450 k( 162) = ( 0.1306818 0.1306818 0.2613636), wk = 0.0024450 k( 163) = ( 0.1250000 0.1250000 0.2500000), wk = 0.0024450 k( 164) = ( 0.1193182 0.1193182 0.2386364), wk = 0.0024450 k( 165) = ( 0.1136364 0.1136364 0.2272727), wk = 0.0024450 k( 166) = ( 0.1079545 0.1079545 0.2159091), wk = 0.0024450 k( 167) = ( 0.1022727 0.1022727 0.2045454), wk = 0.0024450 k( 168) = ( 0.0965909 0.0965909 0.1931818), wk = 0.0024450 k( 169) = ( 0.0909091 0.0909091 0.1818182), wk = 0.0024450 k( 170) = ( 0.0852273 0.0852273 0.1704546), wk = 0.0024450 k( 171) = ( 0.0795455 0.0795455 0.1590909), wk = 0.0024450 k( 172) = ( 0.0738636 0.0738636 0.1477273), wk = 0.0024450 k( 173) = ( 0.0681818 0.0681818 0.1363636), wk = 0.0024450 k( 174) = ( 0.0625000 0.0625000 0.1250000), wk = 0.0024450 k( 175) = ( 0.0568182 0.0568182 0.1136364), wk = 0.0024450 k( 176) = ( 0.0511364 0.0511364 0.1022727), wk = 0.0024450 k( 177) = ( 0.0454546 0.0454546 0.0909091), wk = 0.0024450 k( 178) = ( 0.0397727 0.0397727 0.0795455), wk = 0.0024450 k( 179) = ( 0.0340909 0.0340909 0.0681818), wk = 0.0024450 k( 180) = ( 0.0284091 0.0284091 0.0568182), wk = 0.0024450 k( 181) = ( 0.0227273 0.0227273 0.0454546), wk = 0.0024450 k( 182) = ( 0.0170455 0.0170455 0.0340909), wk = 0.0024450 k( 183) = ( 0.0113636 0.0113636 0.0227273), wk = 0.0024450 k( 184) = ( 0.0056818 0.0056818 0.0113636), wk = 0.0024450 k( 185) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024450 k( 186) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024450 k( 187) = ( 0.0092593 0.0092593 0.0092593), wk = 0.0024450 k( 188) = ( 0.0185185 0.0185185 0.0185185), wk = 0.0024450 k( 189) = ( 0.0277778 0.0277778 0.0277778), wk = 0.0024450 k( 190) = ( 0.0370370 0.0370370 0.0370370), wk = 0.0024450 k( 191) = ( 0.0462963 0.0462963 0.0462963), wk = 0.0024450 k( 192) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0024450 k( 193) = ( 0.0648148 0.0648148 0.0648148), wk = 0.0024450 k( 194) = ( 0.0740741 0.0740741 0.0740741), wk = 0.0024450 k( 195) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0024450 k( 196) = ( 0.0925926 0.0925926 0.0925926), wk = 0.0024450 k( 197) = ( 0.1018518 0.1018518 0.1018518), wk = 0.0024450 k( 198) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0024450 k( 199) = ( 0.1203704 0.1203704 0.1203704), wk = 0.0024450 k( 200) = ( 0.1296296 0.1296296 0.1296296), wk = 0.0024450 k( 201) = ( 0.1388889 0.1388889 0.1388889), wk = 0.0024450 k( 202) = ( 0.1481482 0.1481482 0.1481482), wk = 0.0024450 k( 203) = ( 0.1574074 0.1574074 0.1574074), wk = 0.0024450 k( 204) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0024450 k( 205) = ( 0.1759259 0.1759259 0.1759259), wk = 0.0024450 k( 206) = ( 0.1851852 0.1851852 0.1851852), wk = 0.0024450 k( 207) = ( 0.1944444 0.1944444 0.1944444), wk = 0.0024450 k( 208) = ( 0.2037037 0.2037037 0.2037037), wk = 0.0024450 k( 209) = ( 0.2129630 0.2129630 0.2129630), wk = 0.0024450 k( 210) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0024450 k( 211) = ( 0.2314815 0.2314815 0.2314815), wk = 0.0024450 k( 212) = ( 0.2407407 0.2407407 0.2407407), wk = 0.0024450 k( 213) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0024450 k( 214) = ( 0.2592593 0.2592593 0.2592593), wk = 0.0024450 k( 215) = ( 0.2685185 0.2685185 0.2685185), wk = 0.0024450 k( 216) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0024450 k( 217) = ( 0.2870370 0.2870370 0.2870370), wk = 0.0024450 k( 218) = ( 0.2962963 0.2962963 0.2962963), wk = 0.0024450 k( 219) = ( 0.3055556 0.3055556 0.3055556), wk = 0.0024450 k( 220) = ( 0.3148148 0.3148148 0.3148148), wk = 0.0024450 k( 221) = ( 0.3240741 0.3240741 0.3240741), wk = 0.0024450 k( 222) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0024450 k( 223) = ( 0.3425926 0.3425926 0.3425926), wk = 0.0024450 k( 224) = ( 0.3518519 0.3518518 0.3518519), wk = 0.0024450 k( 225) = ( 0.3611111 0.3611111 0.3611111), wk = 0.0024450 k( 226) = ( 0.3703704 0.3703704 0.3703704), wk = 0.0024450 k( 227) = ( 0.3796296 0.3796296 0.3796296), wk = 0.0024450 k( 228) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0024450 k( 229) = ( 0.3981481 0.3981482 0.3981481), wk = 0.0024450 k( 230) = ( 0.4074074 0.4074074 0.4074074), wk = 0.0024450 k( 231) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0024450 k( 232) = ( 0.4259259 0.4259259 0.4259259), wk = 0.0024450 k( 233) = ( 0.4351852 0.4351852 0.4351852), wk = 0.0024450 k( 234) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0024450 k( 235) = ( 0.4537037 0.4537037 0.4537037), wk = 0.0024450 k( 236) = ( 0.4629630 0.4629630 0.4629630), wk = 0.0024450 k( 237) = ( 0.4722222 0.4722222 0.4722222), wk = 0.0024450 k( 238) = ( 0.4814815 0.4814815 0.4814815), wk = 0.0024450 k( 239) = ( 0.4907407 0.4907407 0.4907407), wk = 0.0024450 k( 240) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024450 k( 241) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024450 k( 242) = ( 0.5032895 0.4934210 0.5032895), wk = 0.0024450 k( 243) = ( 0.5065789 0.4868421 0.5065789), wk = 0.0024450 k( 244) = ( 0.5098684 0.4802632 0.5098684), wk = 0.0024450 k( 245) = ( 0.5131579 0.4736842 0.5131579), wk = 0.0024450 k( 246) = ( 0.5164474 0.4671053 0.5164474), wk = 0.0024450 k( 247) = ( 0.5197368 0.4605263 0.5197368), wk = 0.0024450 k( 248) = ( 0.5230263 0.4539474 0.5230263), wk = 0.0024450 k( 249) = ( 0.5263158 0.4473684 0.5263158), wk = 0.0024450 k( 250) = ( 0.5296053 0.4407895 0.5296053), wk = 0.0024450 k( 251) = ( 0.5328947 0.4342105 0.5328947), wk = 0.0024450 k( 252) = ( 0.5361842 0.4276316 0.5361842), wk = 0.0024450 k( 253) = ( 0.5394737 0.4210526 0.5394737), wk = 0.0024450 k( 254) = ( 0.5427632 0.4144737 0.5427632), wk = 0.0024450 k( 255) = ( 0.5460526 0.4078947 0.5460526), wk = 0.0024450 k( 256) = ( 0.5493421 0.4013158 0.5493421), wk = 0.0024450 k( 257) = ( 0.5526316 0.3947368 0.5526316), wk = 0.0024450 k( 258) = ( 0.5559211 0.3881579 0.5559211), wk = 0.0024450 k( 259) = ( 0.5592105 0.3815789 0.5592105), wk = 0.0024450 k( 260) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0024450 k( 261) = ( 0.5657895 0.3684211 0.5657895), wk = 0.0024450 k( 262) = ( 0.5690789 0.3618421 0.5690789), wk = 0.0024450 k( 263) = ( 0.5723684 0.3552632 0.5723684), wk = 0.0024450 k( 264) = ( 0.5756579 0.3486842 0.5756579), wk = 0.0024450 k( 265) = ( 0.5789474 0.3421053 0.5789474), wk = 0.0024450 k( 266) = ( 0.5822368 0.3355263 0.5822368), wk = 0.0024450 k( 267) = ( 0.5855263 0.3289474 0.5855263), wk = 0.0024450 k( 268) = ( 0.5888158 0.3223684 0.5888158), wk = 0.0024450 k( 269) = ( 0.5921053 0.3157895 0.5921053), wk = 0.0024450 k( 270) = ( 0.5953947 0.3092105 0.5953947), wk = 0.0024450 k( 271) = ( 0.5986842 0.3026316 0.5986842), wk = 0.0024450 k( 272) = ( 0.6019737 0.2960526 0.6019737), wk = 0.0024450 k( 273) = ( 0.6052632 0.2894737 0.6052632), wk = 0.0024450 k( 274) = ( 0.6085526 0.2828947 0.6085526), wk = 0.0024450 k( 275) = ( 0.6118421 0.2763158 0.6118421), wk = 0.0024450 k( 276) = ( 0.6151316 0.2697368 0.6151316), wk = 0.0024450 k( 277) = ( 0.6184211 0.2631579 0.6184211), wk = 0.0024450 k( 278) = ( 0.6217105 0.2565789 0.6217105), wk = 0.0024450 k( 279) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0024450 k( 280) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0024450 k( 281) = ( 0.6193182 0.2500000 0.6306818), wk = 0.0024450 k( 282) = ( 0.6136364 0.2500000 0.6363636), wk = 0.0024450 k( 283) = ( 0.6079545 0.2500000 0.6420455), wk = 0.0024450 k( 284) = ( 0.6022727 0.2500000 0.6477273), wk = 0.0024450 k( 285) = ( 0.5965909 0.2500000 0.6534091), wk = 0.0024450 k( 286) = ( 0.5909091 0.2500000 0.6590909), wk = 0.0024450 k( 287) = ( 0.5852273 0.2500000 0.6647727), wk = 0.0024450 k( 288) = ( 0.5795455 0.2500000 0.6704546), wk = 0.0024450 k( 289) = ( 0.5738636 0.2500000 0.6761364), wk = 0.0024450 k( 290) = ( 0.5681818 0.2500000 0.6818182), wk = 0.0024450 k( 291) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0024450 k( 292) = ( 0.5568182 0.2500000 0.6931818), wk = 0.0024450 k( 293) = ( 0.5511364 0.2500000 0.6988636), wk = 0.0024450 k( 294) = ( 0.5454545 0.2500000 0.7045455), wk = 0.0024450 k( 295) = ( 0.5397727 0.2500000 0.7102273), wk = 0.0024450 k( 296) = ( 0.5340909 0.2500000 0.7159091), wk = 0.0024450 k( 297) = ( 0.5284091 0.2500000 0.7215909), wk = 0.0024450 k( 298) = ( 0.5227273 0.2500000 0.7272727), wk = 0.0024450 k( 299) = ( 0.5170455 0.2500000 0.7329545), wk = 0.0024450 k( 300) = ( 0.5113636 0.2500000 0.7386364), wk = 0.0024450 k( 301) = ( 0.5056818 0.2500000 0.7443182), wk = 0.0024450 k( 302) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0024450 k( 303) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0024450 k( 304) = ( 0.5000000 0.2556818 0.7443182), wk = 0.0024450 k( 305) = ( 0.5000000 0.2613636 0.7386364), wk = 0.0024450 k( 306) = ( 0.5000000 0.2670455 0.7329545), wk = 0.0024450 k( 307) = ( 0.5000000 0.2727273 0.7272727), wk = 0.0024450 k( 308) = ( 0.5000000 0.2784091 0.7215909), wk = 0.0024450 k( 309) = ( 0.5000000 0.2840909 0.7159091), wk = 0.0024450 k( 310) = ( 0.5000000 0.2897727 0.7102273), wk = 0.0024450 k( 311) = ( 0.5000000 0.2954546 0.7045455), wk = 0.0024450 k( 312) = ( 0.5000000 0.3011364 0.6988636), wk = 0.0024450 k( 313) = ( 0.5000000 0.3068182 0.6931818), wk = 0.0024450 k( 314) = ( 0.5000000 0.3125000 0.6875000), wk = 0.0024450 k( 315) = ( 0.5000000 0.3181818 0.6818182), wk = 0.0024450 k( 316) = ( 0.5000000 0.3238636 0.6761364), wk = 0.0024450 k( 317) = ( 0.5000000 0.3295455 0.6704546), wk = 0.0024450 k( 318) = ( 0.5000000 0.3352273 0.6647727), wk = 0.0024450 k( 319) = ( 0.5000000 0.3409091 0.6590909), wk = 0.0024450 k( 320) = ( 0.5000000 0.3465909 0.6534091), wk = 0.0024450 k( 321) = ( 0.5000000 0.3522727 0.6477273), wk = 0.0024450 k( 322) = ( 0.5000000 0.3579545 0.6420455), wk = 0.0024450 k( 323) = ( 0.5000000 0.3636364 0.6363636), wk = 0.0024450 k( 324) = ( 0.5000000 0.3693182 0.6306818), wk = 0.0024450 k( 325) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0024450 k( 326) = ( 0.5000000 0.3806818 0.6193182), wk = 0.0024450 k( 327) = ( 0.5000000 0.3863636 0.6136364), wk = 0.0024450 k( 328) = ( 0.5000000 0.3920455 0.6079545), wk = 0.0024450 k( 329) = ( 0.5000000 0.3977273 0.6022727), wk = 0.0024450 k( 330) = ( 0.5000000 0.4034091 0.5965909), wk = 0.0024450 k( 331) = ( 0.5000000 0.4090909 0.5909091), wk = 0.0024450 k( 332) = ( 0.5000000 0.4147727 0.5852273), wk = 0.0024450 k( 333) = ( 0.5000000 0.4204545 0.5795455), wk = 0.0024450 k( 334) = ( 0.5000000 0.4261364 0.5738636), wk = 0.0024450 k( 335) = ( 0.5000000 0.4318182 0.5681818), wk = 0.0024450 k( 336) = ( 0.5000000 0.4375000 0.5625000), wk = 0.0024450 k( 337) = ( 0.5000000 0.4431818 0.5568182), wk = 0.0024450 k( 338) = ( 0.5000000 0.4488636 0.5511364), wk = 0.0024450 k( 339) = ( 0.5000000 0.4545455 0.5454546), wk = 0.0024450 k( 340) = ( 0.5000000 0.4602273 0.5397727), wk = 0.0024450 k( 341) = ( 0.5000000 0.4659091 0.5340909), wk = 0.0024450 k( 342) = ( 0.5000000 0.4715909 0.5284091), wk = 0.0024450 k( 343) = ( 0.5000000 0.4772727 0.5227273), wk = 0.0024450 k( 344) = ( 0.5000000 0.4829545 0.5170455), wk = 0.0024450 k( 345) = ( 0.5000000 0.4886364 0.5113636), wk = 0.0024450 k( 346) = ( 0.5000000 0.4943182 0.5056818), wk = 0.0024450 k( 347) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024450 k( 348) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024450 k( 349) = ( 0.4967105 0.4967105 0.5065789), wk = 0.0024450 k( 350) = ( 0.4934211 0.4934211 0.5131579), wk = 0.0024450 k( 351) = ( 0.4901316 0.4901316 0.5197368), wk = 0.0024450 k( 352) = ( 0.4868421 0.4868421 0.5263158), wk = 0.0024450 k( 353) = ( 0.4835526 0.4835526 0.5328947), wk = 0.0024450 k( 354) = ( 0.4802632 0.4802632 0.5394737), wk = 0.0024450 k( 355) = ( 0.4769737 0.4769737 0.5460526), wk = 0.0024450 k( 356) = ( 0.4736842 0.4736842 0.5526316), wk = 0.0024450 k( 357) = ( 0.4703947 0.4703947 0.5592105), wk = 0.0024450 k( 358) = ( 0.4671053 0.4671053 0.5657895), wk = 0.0024450 k( 359) = ( 0.4638158 0.4638158 0.5723684), wk = 0.0024450 k( 360) = ( 0.4605263 0.4605263 0.5789474), wk = 0.0024450 k( 361) = ( 0.4572368 0.4572368 0.5855263), wk = 0.0024450 k( 362) = ( 0.4539474 0.4539474 0.5921053), wk = 0.0024450 k( 363) = ( 0.4506579 0.4506579 0.5986842), wk = 0.0024450 k( 364) = ( 0.4473684 0.4473684 0.6052632), wk = 0.0024450 k( 365) = ( 0.4440789 0.4440789 0.6118421), wk = 0.0024450 k( 366) = ( 0.4407895 0.4407895 0.6184211), wk = 0.0024450 k( 367) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0024450 k( 368) = ( 0.4342105 0.4342105 0.6315789), wk = 0.0024450 k( 369) = ( 0.4309211 0.4309211 0.6381579), wk = 0.0024450 k( 370) = ( 0.4276316 0.4276316 0.6447368), wk = 0.0024450 k( 371) = ( 0.4243421 0.4243421 0.6513158), wk = 0.0024450 k( 372) = ( 0.4210526 0.4210526 0.6578947), wk = 0.0024450 k( 373) = ( 0.4177632 0.4177632 0.6644737), wk = 0.0024450 k( 374) = ( 0.4144737 0.4144737 0.6710526), wk = 0.0024450 k( 375) = ( 0.4111842 0.4111842 0.6776316), wk = 0.0024450 k( 376) = ( 0.4078947 0.4078947 0.6842105), wk = 0.0024450 k( 377) = ( 0.4046053 0.4046053 0.6907895), wk = 0.0024450 k( 378) = ( 0.4013158 0.4013158 0.6973684), wk = 0.0024450 k( 379) = ( 0.3980263 0.3980263 0.7039474), wk = 0.0024450 k( 380) = ( 0.3947368 0.3947368 0.7105263), wk = 0.0024450 k( 381) = ( 0.3914474 0.3914474 0.7171053), wk = 0.0024450 k( 382) = ( 0.3881579 0.3881579 0.7236842), wk = 0.0024450 k( 383) = ( 0.3848684 0.3848684 0.7302632), wk = 0.0024450 k( 384) = ( 0.3815789 0.3815789 0.7368421), wk = 0.0024450 k( 385) = ( 0.3782895 0.3782895 0.7434211), wk = 0.0024450 k( 386) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0024450 k( 387) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0024450 k( 388) = ( 0.6193182 0.2386364 0.6193182), wk = 0.0024450 k( 389) = ( 0.6136364 0.2272727 0.6136364), wk = 0.0024450 k( 390) = ( 0.6079545 0.2159091 0.6079546), wk = 0.0024450 k( 391) = ( 0.6022727 0.2045455 0.6022727), wk = 0.0024450 k( 392) = ( 0.5965909 0.1931818 0.5965909), wk = 0.0024450 k( 393) = ( 0.5909091 0.1818182 0.5909091), wk = 0.0024450 k( 394) = ( 0.5852273 0.1704546 0.5852273), wk = 0.0024450 k( 395) = ( 0.5795455 0.1590909 0.5795455), wk = 0.0024450 k( 396) = ( 0.5738636 0.1477273 0.5738636), wk = 0.0024450 k( 397) = ( 0.5681818 0.1363636 0.5681818), wk = 0.0024450 k( 398) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0024450 k( 399) = ( 0.5568182 0.1136364 0.5568182), wk = 0.0024450 k( 400) = ( 0.5511364 0.1022727 0.5511364), wk = 0.0024450 k( 401) = ( 0.5454545 0.0909091 0.5454545), wk = 0.0024450 k( 402) = ( 0.5397727 0.0795455 0.5397727), wk = 0.0024450 k( 403) = ( 0.5340909 0.0681818 0.5340909), wk = 0.0024450 k( 404) = ( 0.5284091 0.0568182 0.5284091), wk = 0.0024450 k( 405) = ( 0.5227273 0.0454546 0.5227273), wk = 0.0024450 k( 406) = ( 0.5170455 0.0340909 0.5170455), wk = 0.0024450 k( 407) = ( 0.5113636 0.0227273 0.5113636), wk = 0.0024450 k( 408) = ( 0.5056818 0.0113636 0.5056818), wk = 0.0024450 k( 409) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0024450 Dense grid: 22419 G-vectors FFT dimensions: ( 40, 40, 40) Smooth grid: 9409 G-vectors FFT dimensions: ( 30, 30, 30) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.02 Mb ( 50, 24) NL pseudopotentials 0.02 Mb ( 25, 48) Each V/rho on FFT grid 0.02 Mb ( 1600) Each G-vector array 0.00 Mb ( 470) G-vector shells 0.00 Mb ( 187) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.07 Mb ( 50, 96) Each subspace H/S matrix 0.14 Mb ( 96, 96) Each matrix 0.04 Mb ( 48, 2, 24) Check: negative/imaginary core charge= -0.000006 0.000000 The potential is recalculated from file : ./ZrC.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 41.2 secs Computing kpt #: 2 total cpu time spent up to now is 41.6 secs Computing kpt #: 3 total cpu time spent up to now is 41.9 secs Computing kpt #: 4 total cpu time spent up to now is 42.3 secs Computing kpt #: 5 total cpu time spent up to now is 42.7 secs Computing kpt #: 6 total cpu time spent up to now is 43.1 secs Computing kpt #: 7 total cpu time spent up to now is 43.5 secs Computing kpt #: 8 total cpu time spent up to now is 43.9 secs Computing kpt #: 9 total cpu time spent up to now is 44.2 secs Computing kpt #: 10 total cpu time spent up to now is 44.6 secs Computing kpt #: 11 total cpu time spent up to now is 45.0 secs Computing kpt #: 12 total cpu time spent up to now is 45.3 secs Computing kpt #: 13 total cpu time spent up to now is 45.7 secs Computing kpt #: 14 total cpu time spent up to now is 46.0 secs Computing kpt #: 15 total cpu time spent up to now is 46.4 secs Computing kpt #: 16 total cpu time spent up to now is 46.7 secs Computing kpt #: 17 total cpu time spent up to now is 47.1 secs Computing kpt #: 18 total cpu time spent up to now is 47.4 secs Computing kpt #: 19 total cpu time spent up to now is 47.8 secs Computing kpt #: 20 total cpu time spent up to now is 48.2 secs Computing kpt #: 21 total cpu time spent up to now is 48.6 secs Computing kpt #: 22 total cpu time spent up to now is 49.0 secs Computing kpt #: 23 total cpu time spent up to now is 49.4 secs Computing kpt #: 24 total cpu time spent up to now is 49.8 secs Computing kpt #: 25 total cpu time spent up to now is 50.2 secs Computing kpt #: 26 total cpu time spent up to now is 50.6 secs Computing kpt #: 27 total cpu time spent up to now is 51.0 secs Computing kpt #: 28 total cpu time spent up to now is 51.4 secs Computing kpt #: 29 total cpu time spent up to now is 51.8 secs Computing kpt #: 30 total cpu time spent up to now is 52.1 secs Computing kpt #: 31 total cpu time spent up to now is 52.4 secs Computing kpt #: 32 total cpu time spent up to now is 52.7 secs Computing kpt #: 33 total cpu time spent up to now is 53.1 secs Computing kpt #: 34 total cpu time spent up to now is 53.3 secs Computing kpt #: 35 total cpu time spent up to now is 53.7 secs Computing kpt #: 36 total cpu time spent up to now is 54.1 secs Computing kpt #: 37 total cpu time spent up to now is 54.4 secs Computing kpt #: 38 total cpu time spent up to now is 54.7 secs Computing kpt #: 39 total cpu time spent up to now is 55.0 secs Computing kpt #: 40 total cpu time spent up to now is 55.3 secs Computing kpt #: 41 total cpu time spent up to now is 55.6 secs Computing kpt #: 42 total cpu time spent up to now is 55.9 secs Computing kpt #: 43 total cpu time spent up to now is 56.2 secs Computing kpt #: 44 total cpu time spent up to now is 56.4 secs Computing kpt #: 45 total cpu time spent up to now is 56.7 secs Computing kpt #: 46 total cpu time spent up to now is 57.0 secs Computing kpt #: 47 total cpu time spent up to now is 57.3 secs Computing kpt #: 48 total cpu time spent up to now is 57.6 secs Computing kpt #: 49 total cpu time spent up to now is 57.8 secs Computing kpt #: 50 total cpu time spent up to now is 58.1 secs Computing kpt #: 51 total cpu time spent up to now is 58.4 secs Computing kpt #: 52 total cpu time spent up to now is 58.7 secs Computing kpt #: 53 total cpu time spent up to now is 59.0 secs Computing kpt #: 54 total cpu time spent up to now is 59.3 secs Computing kpt #: 55 total cpu time spent up to now is 59.5 secs Computing kpt #: 56 total cpu time spent up to now is 59.9 secs Computing kpt #: 57 total cpu time spent up to now is 60.2 secs Computing kpt #: 58 total cpu time spent up to now is 60.5 secs Computing kpt #: 59 total cpu time spent up to now is 60.8 secs Computing kpt #: 60 total cpu time spent up to now is 61.2 secs Computing kpt #: 61 total cpu time spent up to now is 61.5 secs Computing kpt #: 62 total cpu time spent up to now is 61.8 secs Computing kpt #: 63 total cpu time spent up to now is 62.1 secs Computing kpt #: 64 total cpu time spent up to now is 62.4 secs Computing kpt #: 65 total cpu time spent up to now is 62.7 secs Computing kpt #: 66 total cpu time spent up to now is 63.0 secs Computing kpt #: 67 total cpu time spent up to now is 63.3 secs Computing kpt #: 68 total cpu time spent up to now is 63.6 secs Computing kpt #: 69 total cpu time spent up to now is 63.8 secs Computing kpt #: 70 total cpu time spent up to now is 64.1 secs Computing kpt #: 71 total cpu time spent up to now is 64.4 secs Computing kpt #: 72 total cpu time spent up to now is 64.6 secs Computing kpt #: 73 total cpu time spent up to now is 64.9 secs Computing kpt #: 74 total cpu time spent up to now is 65.1 secs Computing kpt #: 75 total cpu time spent up to now is 65.4 secs Computing kpt #: 76 total cpu time spent up to now is 65.7 secs Computing kpt #: 77 total cpu time spent up to now is 65.9 secs Computing kpt #: 78 total cpu time spent up to now is 66.2 secs Computing kpt #: 79 total cpu time spent up to now is 66.5 secs Computing kpt #: 80 total cpu time spent up to now is 66.7 secs Computing kpt #: 81 total cpu time spent up to now is 67.0 secs Computing kpt #: 82 total cpu time spent up to now is 67.2 secs Computing kpt #: 83 total cpu time spent up to now is 67.4 secs Computing kpt #: 84 total cpu time spent up to now is 67.7 secs Computing kpt #: 85 total cpu time spent up to now is 67.9 secs Computing kpt #: 86 total cpu time spent up to now is 68.1 secs Computing kpt #: 87 total cpu time spent up to now is 68.3 secs Computing kpt #: 88 total cpu time spent up to now is 68.5 secs Computing kpt #: 89 total cpu time spent up to now is 68.8 secs Computing kpt #: 90 total cpu time spent up to now is 69.0 secs Computing kpt #: 91 total cpu time spent up to now is 69.2 secs Computing kpt #: 92 total cpu time spent up to now is 69.4 secs Computing kpt #: 93 total cpu time spent up to now is 69.6 secs Computing kpt #: 94 total cpu time spent up to now is 69.8 secs Computing kpt #: 95 total cpu time spent up to now is 70.1 secs Computing kpt #: 96 total cpu time spent up to now is 70.3 secs Computing kpt #: 97 total cpu time spent up to now is 70.5 secs Computing kpt #: 98 total cpu time spent up to now is 70.7 secs Computing kpt #: 99 total cpu time spent up to now is 70.9 secs Computing kpt #: 100 total cpu time spent up to now is 71.2 secs Computing kpt #: 101 total cpu time spent up to now is 71.4 secs Computing kpt #: 102 total cpu time spent up to now is 71.6 secs Computing kpt #: 103 total cpu time spent up to now is 71.8 secs Computing kpt #: 104 total cpu time spent up to now is 72.1 secs Computing kpt #: 105 total cpu time spent up to now is 72.3 secs Computing kpt #: 106 total cpu time spent up to now is 72.6 secs Computing kpt #: 107 total cpu time spent up to now is 72.9 secs Computing kpt #: 108 total cpu time spent up to now is 73.2 secs Computing kpt #: 109 total cpu time spent up to now is 73.5 secs Computing kpt #: 110 total cpu time spent up to now is 73.7 secs Computing kpt #: 111 total cpu time spent up to now is 74.0 secs Computing kpt #: 112 total cpu time spent up to now is 74.3 secs Computing kpt #: 113 total cpu time spent up to now is 74.6 secs Computing kpt #: 114 total cpu time spent up to now is 74.9 secs Computing kpt #: 115 total cpu time spent up to now is 75.1 secs Computing kpt #: 116 total cpu time spent up to now is 75.4 secs Computing kpt #: 117 total cpu time spent up to now is 75.7 secs Computing kpt #: 118 total cpu time spent up to now is 76.0 secs Computing kpt #: 119 total cpu time spent up to now is 76.3 secs Computing kpt #: 120 total cpu time spent up to now is 76.6 secs Computing kpt #: 121 total cpu time spent up to now is 77.0 secs Computing kpt #: 122 total cpu time spent up to now is 77.3 secs Computing kpt #: 123 total cpu time spent up to now is 77.6 secs Computing kpt #: 124 total cpu time spent up to now is 77.9 secs Computing kpt #: 125 total cpu time spent up to now is 78.2 secs Computing kpt #: 126 total cpu time spent up to now is 78.4 secs Computing kpt #: 127 total cpu time spent up to now is 78.7 secs Computing kpt #: 128 total cpu time spent up to now is 79.0 secs Computing kpt #: 129 total cpu time spent up to now is 79.2 secs Computing kpt #: 130 total cpu time spent up to now is 79.4 secs Computing kpt #: 131 total cpu time spent up to now is 79.7 secs Computing kpt #: 132 total cpu time spent up to now is 79.9 secs Computing kpt #: 133 total cpu time spent up to now is 80.1 secs Computing kpt #: 134 total cpu time spent up to now is 80.4 secs Computing kpt #: 135 total cpu time spent up to now is 80.6 secs Computing kpt #: 136 total cpu time spent up to now is 80.8 secs Computing kpt #: 137 total cpu time spent up to now is 81.0 secs Computing kpt #: 138 total cpu time spent up to now is 81.3 secs Computing kpt #: 139 total cpu time spent up to now is 81.5 secs Computing kpt #: 140 total cpu time spent up to now is 81.8 secs Computing kpt #: 141 total cpu time spent up to now is 82.0 secs Computing kpt #: 142 total cpu time spent up to now is 82.3 secs Computing kpt #: 143 total cpu time spent up to now is 82.5 secs Computing kpt #: 144 total cpu time spent up to now is 82.8 secs Computing kpt #: 145 total cpu time spent up to now is 83.1 secs Computing kpt #: 146 total cpu time spent up to now is 83.3 secs Computing kpt #: 147 total cpu time spent up to now is 83.6 secs Computing kpt #: 148 total cpu time spent up to now is 83.9 secs Computing kpt #: 149 total cpu time spent up to now is 84.2 secs Computing kpt #: 150 total cpu time spent up to now is 84.5 secs Computing kpt #: 151 total cpu time spent up to now is 84.8 secs Computing kpt #: 152 total cpu time spent up to now is 85.1 secs Computing kpt #: 153 total cpu time spent up to now is 85.4 secs Computing kpt #: 154 total cpu time spent up to now is 85.6 secs Computing kpt #: 155 total cpu time spent up to now is 85.9 secs Computing kpt #: 156 total cpu time spent up to now is 86.1 secs Computing kpt #: 157 total cpu time spent up to now is 86.4 secs Computing kpt #: 158 total cpu time spent up to now is 86.7 secs Computing kpt #: 159 total cpu time spent up to now is 86.9 secs Computing kpt #: 160 total cpu time spent up to now is 87.2 secs Computing kpt #: 161 total cpu time spent up to now is 87.5 secs Computing kpt #: 162 total cpu time spent up to now is 87.8 secs Computing kpt #: 163 total cpu time spent up to now is 88.1 secs Computing kpt #: 164 total cpu time spent up to now is 88.4 secs Computing kpt #: 165 total cpu time spent up to now is 88.7 secs Computing kpt #: 166 total cpu time spent up to now is 89.0 secs Computing kpt #: 167 total cpu time spent up to now is 89.3 secs Computing kpt #: 168 total cpu time spent up to now is 89.7 secs Computing kpt #: 169 total cpu time spent up to now is 90.0 secs Computing kpt #: 170 total cpu time spent up to now is 90.3 secs Computing kpt #: 171 total cpu time spent up to now is 90.7 secs Computing kpt #: 172 total cpu time spent up to now is 91.0 secs Computing kpt #: 173 total cpu time spent up to now is 91.4 secs Computing kpt #: 174 total cpu time spent up to now is 91.7 secs Computing kpt #: 175 total cpu time spent up to now is 92.0 secs Computing kpt #: 176 total cpu time spent up to now is 92.4 secs Computing kpt #: 177 total cpu time spent up to now is 92.8 secs Computing kpt #: 178 total cpu time spent up to now is 93.1 secs Computing kpt #: 179 total cpu time spent up to now is 93.5 secs Computing kpt #: 180 total cpu time spent up to now is 93.8 secs Computing kpt #: 181 total cpu time spent up to now is 94.2 secs Computing kpt #: 182 total cpu time spent up to now is 94.5 secs Computing kpt #: 183 total cpu time spent up to now is 95.0 secs Computing kpt #: 184 total cpu time spent up to now is 95.4 secs Computing kpt #: 185 total cpu time spent up to now is 95.7 secs Computing kpt #: 186 total cpu time spent up to now is 96.0 secs Computing kpt #: 187 total cpu time spent up to now is 96.4 secs Computing kpt #: 188 total cpu time spent up to now is 96.8 secs Computing kpt #: 189 total cpu time spent up to now is 97.2 secs Computing kpt #: 190 total cpu time spent up to now is 97.5 secs Computing kpt #: 191 total cpu time spent up to now is 97.9 secs Computing kpt #: 192 total cpu time spent up to now is 98.2 secs Computing kpt #: 193 total cpu time spent up to now is 98.5 secs Computing kpt #: 194 total cpu time spent up to now is 98.8 secs Computing kpt #: 195 total cpu time spent up to now is 99.1 secs Computing kpt #: 196 total cpu time spent up to now is 99.5 secs Computing kpt #: 197 total cpu time spent up to now is 99.8 secs Computing kpt #: 198 total cpu time spent up to now is 100.0 secs Computing kpt #: 199 total cpu time spent up to now is 100.3 secs Computing kpt #: 200 total cpu time spent up to now is 100.6 secs Computing kpt #: 201 total cpu time spent up to now is 100.8 secs Computing kpt #: 202 total cpu time spent up to now is 101.1 secs Computing kpt #: 203 total cpu time spent up to now is 101.5 secs Computing kpt #: 204 total cpu time spent up to now is 101.8 secs Computing kpt #: 205 total cpu time spent up to now is 102.0 secs Computing kpt #: 206 total cpu time spent up to now is 102.3 secs Computing kpt #: 207 total cpu time spent up to now is 102.6 secs Computing kpt #: 208 total cpu time spent up to now is 102.9 secs Computing kpt #: 209 total cpu time spent up to now is 103.1 secs Computing kpt #: 210 total cpu time spent up to now is 103.4 secs Computing kpt #: 211 total cpu time spent up to now is 103.7 secs Computing kpt #: 212 total cpu time spent up to now is 104.0 secs Computing kpt #: 213 total cpu time spent up to now is 104.3 secs Computing kpt #: 214 total cpu time spent up to now is 104.5 secs Computing kpt #: 215 total cpu time spent up to now is 104.8 secs Computing kpt #: 216 total cpu time spent up to now is 105.1 secs Computing kpt #: 217 total cpu time spent up to now is 105.4 secs Computing kpt #: 218 total cpu time spent up to now is 105.7 secs Computing kpt #: 219 total cpu time spent up to now is 106.1 secs Computing kpt #: 220 total cpu time spent up to now is 106.4 secs Computing kpt #: 221 total cpu time spent up to now is 106.8 secs Computing kpt #: 222 total cpu time spent up to now is 107.1 secs Computing kpt #: 223 total cpu time spent up to now is 107.5 secs Computing kpt #: 224 total cpu time spent up to now is 107.9 secs Computing kpt #: 225 total cpu time spent up to now is 108.3 secs Computing kpt #: 226 total cpu time spent up to now is 108.8 secs Computing kpt #: 227 total cpu time spent up to now is 109.2 secs Computing kpt #: 228 total cpu time spent up to now is 109.8 secs Computing kpt #: 229 total cpu time spent up to now is 110.2 secs Computing kpt #: 230 total cpu time spent up to now is 110.6 secs Computing kpt #: 231 total cpu time spent up to now is 111.0 secs Computing kpt #: 232 total cpu time spent up to now is 111.3 secs Computing kpt #: 233 total cpu time spent up to now is 111.7 secs Computing kpt #: 234 total cpu time spent up to now is 112.1 secs Computing kpt #: 235 total cpu time spent up to now is 112.5 secs Computing kpt #: 236 total cpu time spent up to now is 112.8 secs Computing kpt #: 237 total cpu time spent up to now is 113.2 secs Computing kpt #: 238 total cpu time spent up to now is 113.6 secs Computing kpt #: 239 total cpu time spent up to now is 113.9 secs Computing kpt #: 240 total cpu time spent up to now is 114.3 secs Computing kpt #: 241 total cpu time spent up to now is 114.7 secs Computing kpt #: 242 total cpu time spent up to now is 115.1 secs Computing kpt #: 243 total cpu time spent up to now is 115.5 secs Computing kpt #: 244 total cpu time spent up to now is 115.9 secs Computing kpt #: 245 total cpu time spent up to now is 116.4 secs Computing kpt #: 246 total cpu time spent up to now is 116.7 secs Computing kpt #: 247 total cpu time spent up to now is 117.1 secs Computing kpt #: 248 total cpu time spent up to now is 117.4 secs Computing kpt #: 249 total cpu time spent up to now is 117.8 secs Computing kpt #: 250 total cpu time spent up to now is 118.1 secs Computing kpt #: 251 total cpu time spent up to now is 118.5 secs Computing kpt #: 252 total cpu time spent up to now is 118.8 secs Computing kpt #: 253 total cpu time spent up to now is 119.2 secs Computing kpt #: 254 total cpu time spent up to now is 119.5 secs Computing kpt #: 255 total cpu time spent up to now is 119.9 secs Computing kpt #: 256 total cpu time spent up to now is 120.3 secs Computing kpt #: 257 total cpu time spent up to now is 120.7 secs Computing kpt #: 258 total cpu time spent up to now is 121.1 secs Computing kpt #: 259 total cpu time spent up to now is 121.4 secs Computing kpt #: 260 total cpu time spent up to now is 121.7 secs Computing kpt #: 261 total cpu time spent up to now is 122.0 secs Computing kpt #: 262 total cpu time spent up to now is 122.3 secs Computing kpt #: 263 total cpu time spent up to now is 122.6 secs Computing kpt #: 264 total cpu time spent up to now is 123.0 secs Computing kpt #: 265 total cpu time spent up to now is 123.3 secs Computing kpt #: 266 total cpu time spent up to now is 123.6 secs Computing kpt #: 267 total cpu time spent up to now is 123.9 secs Computing kpt #: 268 total cpu time spent up to now is 124.2 secs Computing kpt #: 269 total cpu time spent up to now is 124.5 secs Computing kpt #: 270 total cpu time spent up to now is 124.7 secs Computing kpt #: 271 total cpu time spent up to now is 125.0 secs Computing kpt #: 272 total cpu time spent up to now is 125.4 secs Computing kpt #: 273 total cpu time spent up to now is 125.7 secs Computing kpt #: 274 total cpu time spent up to now is 126.0 secs Computing kpt #: 275 total cpu time spent up to now is 126.4 secs Computing kpt #: 276 total cpu time spent up to now is 126.7 secs Computing kpt #: 277 total cpu time spent up to now is 127.1 secs Computing kpt #: 278 total cpu time spent up to now is 127.4 secs Computing kpt #: 279 total cpu time spent up to now is 127.7 secs Computing kpt #: 280 total cpu time spent up to now is 128.0 secs Computing kpt #: 281 total cpu time spent up to now is 128.3 secs Computing kpt #: 282 total cpu time spent up to now is 128.5 secs Computing kpt #: 283 total cpu time spent up to now is 128.8 secs Computing kpt #: 284 total cpu time spent up to now is 129.1 secs Computing kpt #: 285 total cpu time spent up to now is 129.4 secs Computing kpt #: 286 total cpu time spent up to now is 129.7 secs Computing kpt #: 287 total cpu time spent up to now is 129.9 secs Computing kpt #: 288 total cpu time spent up to now is 130.2 secs Computing kpt #: 289 total cpu time spent up to now is 130.5 secs Computing kpt #: 290 total cpu time spent up to now is 130.8 secs Computing kpt #: 291 total cpu time spent up to now is 131.0 secs Computing kpt #: 292 total cpu time spent up to now is 131.2 secs Computing kpt #: 293 total cpu time spent up to now is 131.5 secs Computing kpt #: 294 total cpu time spent up to now is 131.7 secs Computing kpt #: 295 total cpu time spent up to now is 132.0 secs Computing kpt #: 296 total cpu time spent up to now is 132.2 secs Computing kpt #: 297 total cpu time spent up to now is 132.5 secs Computing kpt #: 298 total cpu time spent up to now is 132.7 secs Computing kpt #: 299 total cpu time spent up to now is 133.0 secs Computing kpt #: 300 total cpu time spent up to now is 133.2 secs Computing kpt #: 301 total cpu time spent up to now is 133.5 secs Computing kpt #: 302 total cpu time spent up to now is 133.7 secs Computing kpt #: 303 total cpu time spent up to now is 133.9 secs Computing kpt #: 304 total cpu time spent up to now is 134.1 secs Computing kpt #: 305 total cpu time spent up to now is 134.3 secs Computing kpt #: 306 total cpu time spent up to now is 134.6 secs Computing kpt #: 307 total cpu time spent up to now is 134.8 secs Computing kpt #: 308 total cpu time spent up to now is 135.0 secs Computing kpt #: 309 total cpu time spent up to now is 135.2 secs Computing kpt #: 310 total cpu time spent up to now is 135.5 secs Computing kpt #: 311 total cpu time spent up to now is 135.7 secs Computing kpt #: 312 total cpu time spent up to now is 135.9 secs Computing kpt #: 313 total cpu time spent up to now is 136.2 secs Computing kpt #: 314 total cpu time spent up to now is 136.5 secs Computing kpt #: 315 total cpu time spent up to now is 136.7 secs Computing kpt #: 316 total cpu time spent up to now is 137.0 secs Computing kpt #: 317 total cpu time spent up to now is 137.3 secs Computing kpt #: 318 total cpu time spent up to now is 137.6 secs Computing kpt #: 319 total cpu time spent up to now is 137.9 secs Computing kpt #: 320 total cpu time spent up to now is 138.2 secs Computing kpt #: 321 total cpu time spent up to now is 138.5 secs Computing kpt #: 322 total cpu time spent up to now is 138.8 secs Computing kpt #: 323 total cpu time spent up to now is 139.1 secs Computing kpt #: 324 total cpu time spent up to now is 139.5 secs Computing kpt #: 325 total cpu time spent up to now is 139.8 secs Computing kpt #: 326 total cpu time spent up to now is 140.1 secs Computing kpt #: 327 total cpu time spent up to now is 140.4 secs Computing kpt #: 328 total cpu time spent up to now is 140.7 secs Computing kpt #: 329 total cpu time spent up to now is 141.1 secs Computing kpt #: 330 total cpu time spent up to now is 141.4 secs Computing kpt #: 331 total cpu time spent up to now is 141.8 secs Computing kpt #: 332 total cpu time spent up to now is 142.1 secs Computing kpt #: 333 total cpu time spent up to now is 142.5 secs Computing kpt #: 334 total cpu time spent up to now is 142.8 secs Computing kpt #: 335 total cpu time spent up to now is 143.2 secs Computing kpt #: 336 total cpu time spent up to now is 143.5 secs Computing kpt #: 337 total cpu time spent up to now is 143.9 secs Computing kpt #: 338 total cpu time spent up to now is 144.3 secs Computing kpt #: 339 total cpu time spent up to now is 144.6 secs Computing kpt #: 340 total cpu time spent up to now is 145.0 secs Computing kpt #: 341 total cpu time spent up to now is 145.4 secs Computing kpt #: 342 total cpu time spent up to now is 145.7 secs Computing kpt #: 343 total cpu time spent up to now is 146.1 secs Computing kpt #: 344 total cpu time spent up to now is 146.5 secs Computing kpt #: 345 total cpu time spent up to now is 146.8 secs Computing kpt #: 346 total cpu time spent up to now is 147.2 secs Computing kpt #: 347 total cpu time spent up to now is 147.5 secs Computing kpt #: 348 total cpu time spent up to now is 147.8 secs Computing kpt #: 349 total cpu time spent up to now is 148.2 secs Computing kpt #: 350 total cpu time spent up to now is 148.6 secs Computing kpt #: 351 total cpu time spent up to now is 148.9 secs Computing kpt #: 352 total cpu time spent up to now is 149.3 secs Computing kpt #: 353 total cpu time spent up to now is 149.7 secs Computing kpt #: 354 total cpu time spent up to now is 150.1 secs Computing kpt #: 355 total cpu time spent up to now is 150.5 secs Computing kpt #: 356 total cpu time spent up to now is 150.8 secs Computing kpt #: 357 total cpu time spent up to now is 151.2 secs Computing kpt #: 358 total cpu time spent up to now is 151.5 secs Computing kpt #: 359 total cpu time spent up to now is 151.9 secs Computing kpt #: 360 total cpu time spent up to now is 152.2 secs Computing kpt #: 361 total cpu time spent up to now is 152.6 secs Computing kpt #: 362 total cpu time spent up to now is 152.9 secs Computing kpt #: 363 total cpu time spent up to now is 153.2 secs Computing kpt #: 364 total cpu time spent up to now is 153.5 secs Computing kpt #: 365 total cpu time spent up to now is 153.9 secs Computing kpt #: 366 total cpu time spent up to now is 154.2 secs Computing kpt #: 367 total cpu time spent up to now is 154.5 secs Computing kpt #: 368 total cpu time spent up to now is 154.8 secs Computing kpt #: 369 total cpu time spent up to now is 155.1 secs Computing kpt #: 370 total cpu time spent up to now is 155.4 secs Computing kpt #: 371 total cpu time spent up to now is 155.7 secs Computing kpt #: 372 total cpu time spent up to now is 156.0 secs Computing kpt #: 373 total cpu time spent up to now is 156.3 secs Computing kpt #: 374 total cpu time spent up to now is 156.7 secs Computing kpt #: 375 total cpu time spent up to now is 157.1 secs Computing kpt #: 376 total cpu time spent up to now is 157.4 secs Computing kpt #: 377 total cpu time spent up to now is 157.7 secs Computing kpt #: 378 total cpu time spent up to now is 158.0 secs Computing kpt #: 379 total cpu time spent up to now is 158.3 secs Computing kpt #: 380 total cpu time spent up to now is 158.7 secs Computing kpt #: 381 total cpu time spent up to now is 159.0 secs Computing kpt #: 382 total cpu time spent up to now is 159.4 secs Computing kpt #: 383 total cpu time spent up to now is 159.7 secs Computing kpt #: 384 total cpu time spent up to now is 160.0 secs Computing kpt #: 385 total cpu time spent up to now is 160.3 secs Computing kpt #: 386 total cpu time spent up to now is 160.6 secs Computing kpt #: 387 total cpu time spent up to now is 160.9 secs Computing kpt #: 388 total cpu time spent up to now is 161.2 secs Computing kpt #: 389 total cpu time spent up to now is 161.4 secs Computing kpt #: 390 total cpu time spent up to now is 161.8 secs Computing kpt #: 391 total cpu time spent up to now is 162.1 secs Computing kpt #: 392 total cpu time spent up to now is 162.5 secs Computing kpt #: 393 total cpu time spent up to now is 162.7 secs Computing kpt #: 394 total cpu time spent up to now is 163.0 secs Computing kpt #: 395 total cpu time spent up to now is 163.3 secs Computing kpt #: 396 total cpu time spent up to now is 163.5 secs Computing kpt #: 397 total cpu time spent up to now is 163.8 secs Computing kpt #: 398 total cpu time spent up to now is 164.1 secs Computing kpt #: 399 total cpu time spent up to now is 164.4 secs Computing kpt #: 400 total cpu time spent up to now is 164.7 secs Computing kpt #: 401 total cpu time spent up to now is 164.9 secs Computing kpt #: 402 total cpu time spent up to now is 165.2 secs Computing kpt #: 403 total cpu time spent up to now is 165.5 secs Computing kpt #: 404 total cpu time spent up to now is 165.8 secs Computing kpt #: 405 total cpu time spent up to now is 166.1 secs Computing kpt #: 406 total cpu time spent up to now is 166.4 secs Computing kpt #: 407 total cpu time spent up to now is 166.7 secs Computing kpt #: 408 total cpu time spent up to now is 167.0 secs Computing kpt #: 409 total cpu time spent up to now is 167.3 secs ethr = 6.25E-11, avg # of iterations = 28.5 total cpu time spent up to now is 167.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1243 PWs) bands (ev): -37.3666 -37.3666 -16.5011 -16.5011 -14.7292 -14.7292 -14.7292 -14.7292 0.8283 0.8283 8.3805 8.3805 8.3805 8.3805 8.3989 8.3989 13.6643 13.6643 13.6643 13.6643 13.9596 13.9596 18.9468 18.9468 k = 0.0081-0.0047 0.0066 ( 1243 PWs) bands (ev): -37.3666 -37.3666 -16.5013 -16.5013 -14.7294 -14.7294 -14.7293 -14.7293 0.8295 0.8295 8.3793 8.3793 8.3815 8.3815 8.3990 8.3990 13.6611 13.6611 13.6654 13.6654 13.9637 13.9637 18.9454 18.9454 k = 0.0161-0.0093 0.0132 ( 1243 PWs) bands (ev): -37.3665 -37.3665 -16.5017 -16.5017 -14.7301 -14.7301 -14.7296 -14.7296 0.8330 0.8330 8.3748 8.3748 8.3842 8.3842 8.4001 8.4001 13.6524 13.6524 13.6676 13.6676 13.9760 13.9760 18.9444 18.9444 k = 0.0242-0.0140 0.0198 ( 1239 PWs) bands (ev): -37.3663 -37.3663 -16.5023 -16.5023 -14.7313 -14.7313 -14.7301 -14.7301 0.8389 0.8389 8.3659 8.3659 8.3888 8.3888 8.4036 8.4036 13.6380 13.6380 13.6712 13.6712 13.9964 13.9964 18.9437 18.9437 k = 0.0323-0.0186 0.0263 ( 1235 PWs) bands (ev): -37.3660 -37.3660 -16.5032 -16.5032 -14.7329 -14.7329 -14.7308 -14.7308 0.8471 0.8471 8.3524 8.3524 8.3951 8.3951 8.4096 8.4096 13.6178 13.6178 13.6762 13.6762 14.0249 14.0249 18.9432 18.9432 k = 0.0403-0.0233 0.0329 ( 1235 PWs) bands (ev): -37.3657 -37.3657 -16.5044 -16.5044 -14.7350 -14.7350 -14.7317 -14.7317 0.8577 0.8577 8.3348 8.3348 8.4033 8.4033 8.4178 8.4178 13.5920 13.5920 13.6827 13.6827 14.0613 14.0613 18.9429 18.9429 k = 0.0484-0.0279 0.0395 ( 1227 PWs) bands (ev): -37.3653 -37.3653 -16.5058 -16.5058 -14.7375 -14.7375 -14.7328 -14.7328 0.8705 0.8705 8.3135 8.3135 8.4134 8.4134 8.4281 8.4281 13.5609 13.5609 13.6907 13.6907 14.1054 14.1054 18.9425 18.9425 k = 0.0565-0.0326 0.0461 ( 1227 PWs) bands (ev): -37.3649 -37.3649 -16.5075 -16.5075 -14.7404 -14.7404 -14.7341 -14.7341 0.8855 0.8855 8.2887 8.2887 8.4252 8.4252 8.4404 8.4404 13.5245 13.5245 13.7000 13.7000 14.1569 14.1569 18.9419 18.9419 k = 0.0645-0.0372 0.0527 ( 1219 PWs) bands (ev): -37.3644 -37.3644 -16.5094 -16.5094 -14.7438 -14.7438 -14.7356 -14.7356 0.9028 0.9028 8.2607 8.2607 8.4389 8.4389 8.4547 8.4547 13.4831 13.4831 13.7108 13.7108 14.2156 14.2156 18.9410 18.9410 k = 0.0726-0.0419 0.0593 ( 1219 PWs) bands (ev): -37.3639 -37.3639 -16.5116 -16.5116 -14.7476 -14.7476 -14.7373 -14.7373 0.9221 0.9221 8.2299 8.2299 8.4544 8.4544 8.4708 8.4708 13.4369 13.4369 13.7229 13.7229 14.2811 14.2811 18.9394 18.9394 k = 0.0806-0.0466 0.0658 ( 1211 PWs) bands (ev): -37.3632 -37.3632 -16.5140 -16.5140 -14.7518 -14.7518 -14.7392 -14.7392 0.9437 0.9437 8.1965 8.1965 8.4716 8.4716 8.4889 8.4889 13.3864 13.3864 13.7365 13.7365 14.3531 14.3531 18.9368 18.9368 k = 0.0887-0.0512 0.0724 ( 1203 PWs) bands (ev): -37.3625 -37.3625 -16.5166 -16.5166 -14.7564 -14.7564 -14.7412 -14.7412 0.9672 0.9672 8.1609 8.1609 8.4907 8.4907 8.5088 8.5088 13.3318 13.3318 13.7514 13.7514 14.4313 14.4313 18.9330 18.9330 k = 0.0968-0.0559 0.0790 ( 1203 PWs) bands (ev): -37.3618 -37.3618 -16.5195 -16.5195 -14.7613 -14.7613 -14.7434 -14.7434 0.9927 0.9927 8.1234 8.1234 8.5116 8.5116 8.5306 8.5306 13.2734 13.2734 13.7676 13.7676 14.5154 14.5154 18.9275 18.9275 k = 0.1048-0.0605 0.0856 ( 1203 PWs) bands (ev): -37.3611 -37.3611 -16.5226 -16.5226 -14.7666 -14.7666 -14.7458 -14.7458 1.0200 1.0200 8.0842 8.0842 8.5342 8.5342 8.5542 8.5542 13.2116 13.2116 13.7851 13.7851 14.6048 14.6048 18.9201 18.9201 k = 0.1129-0.0652 0.0922 ( 1203 PWs) bands (ev): -37.3603 -37.3603 -16.5259 -16.5259 -14.7723 -14.7723 -14.7483 -14.7483 1.0492 1.0492 8.0436 8.0436 8.5586 8.5586 8.5796 8.5796 13.1467 13.1467 13.8039 13.8039 14.6993 14.6993 18.9103 18.9103 k = 0.1210-0.0698 0.0988 ( 1199 PWs) bands (ev): -37.3595 -37.3595 -16.5293 -16.5293 -14.7783 -14.7783 -14.7510 -14.7510 1.0802 1.0802 8.0019 8.0019 8.5848 8.5848 8.6069 8.6069 13.0792 13.0792 13.8239 13.8239 14.7985 14.7985 18.8977 18.8977 k = 0.1290-0.0745 0.1054 ( 1199 PWs) bands (ev): -37.3586 -37.3586 -16.5330 -16.5330 -14.7846 -14.7846 -14.7538 -14.7538 1.1127 1.1127 7.9595 7.9595 8.6127 8.6127 8.6359 8.6359 13.0092 13.0092 13.8452 13.8452 14.9019 14.9019 18.8820 18.8820 k = 0.1371-0.0792 0.1119 ( 1195 PWs) bands (ev): -37.3577 -37.3577 -16.5369 -16.5369 -14.7912 -14.7912 -14.7568 -14.7568 1.1468 1.1468 7.9165 7.9165 8.6423 8.6423 8.6668 8.6668 12.9372 12.9372 13.8676 13.8676 15.0093 15.0093 18.8626 18.8626 k = 0.1452-0.0838 0.1185 ( 1187 PWs) bands (ev): -37.3566 -37.3566 -16.5409 -16.5409 -14.7980 -14.7980 -14.7599 -14.7599 1.1823 1.1823 7.8733 7.8733 8.6737 8.6737 8.6994 8.6994 12.8636 12.8636 13.8912 13.8912 15.1201 15.1201 18.8393 18.8393 k = 0.1532-0.0885 0.1251 ( 1187 PWs) bands (ev): -37.3556 -37.3556 -16.5451 -16.5451 -14.8051 -14.8051 -14.7631 -14.7631 1.2192 1.2192 7.8299 7.8299 8.7067 8.7067 8.7337 8.7337 12.7887 12.7887 13.9159 13.9159 15.2340 15.2340 18.8115 18.8115 k = 0.1613-0.0931 0.1317 ( 1187 PWs) bands (ev): -37.3546 -37.3546 -16.5494 -16.5494 -14.8124 -14.8124 -14.7665 -14.7665 1.2572 1.2572 7.7868 7.7868 8.7414 8.7414 8.7697 8.7697 12.7129 12.7129 13.9417 13.9417 15.3504 15.3504 18.7791 18.7791 k = 0.1694-0.0978 0.1383 ( 1187 PWs) bands (ev): -37.3536 -37.3536 -16.5539 -16.5539 -14.8199 -14.8199 -14.7699 -14.7699 1.2964 1.2964 7.7440 7.7440 8.7777 8.7777 8.8074 8.8074 12.6364 12.6364 13.9684 13.9684 15.4689 15.4689 18.7418 18.7418 k = 0.1774-0.1024 0.1449 ( 1187 PWs) bands (ev): -37.3525 -37.3525 -16.5585 -16.5585 -14.8277 -14.8277 -14.7734 -14.7734 1.3366 1.3366 7.7017 7.7017 8.8156 8.8156 8.8467 8.8467 12.5597 12.5597 13.9962 13.9962 15.5889 15.5889 18.6992 18.6992 k = 0.1855-0.1071 0.1514 ( 1195 PWs) bands (ev): -37.3515 -37.3515 -16.5632 -16.5632 -14.8355 -14.8355 -14.7771 -14.7771 1.3776 1.3776 7.6602 7.6602 8.8551 8.8551 8.8876 8.8876 12.4830 12.4830 14.0249 14.0249 15.7099 15.7099 18.6513 18.6513 k = 0.1935-0.1117 0.1580 ( 1191 PWs) bands (ev): -37.3503 -37.3503 -16.5680 -16.5680 -14.8435 -14.8435 -14.7808 -14.7808 1.4193 1.4193 7.6195 7.6195 8.8961 8.8961 8.9301 8.9301 12.4066 12.4066 14.0544 14.0544 15.8310 15.8310 18.5982 18.5982 k = 0.2016-0.1164 0.1646 ( 1191 PWs) bands (ev): -37.3491 -37.3491 -16.5729 -16.5729 -14.8516 -14.8516 -14.7845 -14.7845 1.4616 1.4616 7.5799 7.5799 8.9387 8.9387 8.9742 8.9742 12.3309 12.3309 14.0848 14.0848 15.9514 15.9514 18.5396 18.5396 k = 0.2097-0.1211 0.1712 ( 1191 PWs) bands (ev): -37.3479 -37.3479 -16.5779 -16.5779 -14.8598 -14.8598 -14.7884 -14.7884 1.5044 1.5044 7.5414 7.5414 8.9827 8.9827 9.0198 9.0198 12.2562 12.2562 14.1159 14.1159 16.0701 16.0701 18.4757 18.4757 k = 0.2177-0.1257 0.1778 ( 1190 PWs) bands (ev): -37.3467 -37.3467 -16.5829 -16.5829 -14.8681 -14.8681 -14.7922 -14.7922 1.5475 1.5475 7.5042 7.5042 9.0281 9.0281 9.0668 9.0668 12.1827 12.1827 14.1478 14.1478 16.1860 16.1860 18.4068 18.4068 k = 0.2258-0.1304 0.1844 ( 1190 PWs) bands (ev): -37.3455 -37.3455 -16.5880 -16.5880 -14.8764 -14.8764 -14.7962 -14.7962 1.5908 1.5908 7.4684 7.4684 9.0749 9.0749 9.1152 9.1152 12.1107 12.1107 14.1802 14.1802 16.2975 16.2975 18.3330 18.3330 k = 0.2339-0.1350 0.1910 ( 1190 PWs) bands (ev): -37.3443 -37.3443 -16.5932 -16.5932 -14.8848 -14.8848 -14.8001 -14.8001 1.6341 1.6341 7.4341 7.4341 9.1231 9.1231 9.1649 9.1649 12.0404 12.0404 14.2132 14.2132 16.4028 16.4028 18.2545 18.2545 k = 0.2419-0.1397 0.1975 ( 1198 PWs) bands (ev): -37.3432 -37.3432 -16.5984 -16.5984 -14.8931 -14.8931 -14.8041 -14.8041 1.6773 1.6773 7.4012 7.4012 9.1724 9.1724 9.2159 9.2159 11.9721 11.9721 14.2467 14.2467 16.4999 16.4999 18.1718 18.1718 k = 0.2500-0.1443 0.2041 ( 1198 PWs) bands (ev): -37.3420 -37.3420 -16.6035 -16.6035 -14.9015 -14.9015 -14.8080 -14.8080 1.7204 1.7204 7.3700 7.3700 9.2230 9.2230 9.2681 9.2681 11.9060 11.9060 14.2806 14.2806 16.5863 16.5863 18.0853 18.0853 k = 0.2581-0.1490 0.2107 ( 1198 PWs) bands (ev): -37.3407 -37.3407 -16.6087 -16.6087 -14.9098 -14.9098 -14.8120 -14.8120 1.7631 1.7631 7.3404 7.3404 9.2747 9.2747 9.3215 9.3215 11.8423 11.8423 14.3148 14.3148 16.6594 16.6594 17.9953 17.9953 k = 0.2661-0.1536 0.2173 ( 1190 PWs) bands (ev): -37.3394 -37.3394 -16.6139 -16.6139 -14.9180 -14.9180 -14.8159 -14.8159 1.8053 1.8053 7.3124 7.3124 9.3274 9.3274 9.3759 9.3759 11.7813 11.7813 14.3494 14.3494 16.7167 16.7167 17.9022 17.9022 k = 0.2742-0.1583 0.2239 ( 1190 PWs) bands (ev): -37.3382 -37.3382 -16.6190 -16.6190 -14.9262 -14.9262 -14.8199 -14.8199 1.8468 1.8468 7.2862 7.2862 9.3811 9.3811 9.4314 9.4314 11.7231 11.7231 14.3840 14.3840 16.7559 16.7559 17.8065 17.8065 k = 0.2823-0.1630 0.2305 ( 1190 PWs) bands (ev): -37.3370 -37.3370 -16.6241 -16.6241 -14.9342 -14.9342 -14.8238 -14.8238 1.8877 1.8877 7.2616 7.2616 9.4357 9.4357 9.4876 9.4876 11.6679 11.6679 14.4188 14.4188 16.7758 16.7758 17.7084 17.7084 k = 0.2903-0.1676 0.2370 ( 1190 PWs) bands (ev): -37.3358 -37.3358 -16.6291 -16.6291 -14.9421 -14.9421 -14.8276 -14.8276 1.9277 1.9277 7.2387 7.2387 9.4910 9.4910 9.5447 9.5447 11.6159 11.6159 14.4535 14.4535 16.7761 16.7761 17.6086 17.6086 k = 0.2984-0.1723 0.2436 ( 1198 PWs) bands (ev): -37.3348 -37.3348 -16.6341 -16.6341 -14.9499 -14.9499 -14.8314 -14.8314 1.9667 1.9667 7.2175 7.2175 9.5469 9.5469 9.6024 9.6024 11.5671 11.5671 14.4882 14.4882 16.7578 16.7578 17.5073 17.5073 k = 0.3065-0.1769 0.2502 ( 1198 PWs) bands (ev): -37.3336 -37.3336 -16.6390 -16.6390 -14.9576 -14.9576 -14.8352 -14.8352 2.0047 2.0047 7.1979 7.1979 9.6034 9.6034 9.6607 9.6607 11.5218 11.5218 14.5226 14.5226 16.7228 16.7228 17.4049 17.4049 k = 0.3145-0.1816 0.2568 ( 1190 PWs) bands (ev): -37.3324 -37.3324 -16.6438 -16.6438 -14.9650 -14.9650 -14.8388 -14.8388 2.0415 2.0415 7.1799 7.1799 9.6603 9.6603 9.7193 9.7193 11.4799 11.4799 14.5568 14.5568 16.6733 16.6733 17.3020 17.3020 k = 0.3226-0.1862 0.2634 ( 1190 PWs) bands (ev): -37.3313 -37.3313 -16.6485 -16.6485 -14.9723 -14.9723 -14.8424 -14.8424 2.0770 2.0770 7.1635 7.1635 9.7175 9.7175 9.7782 9.7782 11.4417 11.4417 14.5905 14.5905 16.6119 16.6119 17.1988 17.1988 k = 0.3306-0.1909 0.2700 ( 1186 PWs) bands (ev): -37.3301 -37.3301 -16.6531 -16.6531 -14.9794 -14.9794 -14.8459 -14.8459 2.1112 2.1112 7.1485 7.1485 9.7747 9.7747 9.8373 9.8373 11.4070 11.4070 14.6238 14.6238 16.5410 16.5410 17.0958 17.0958 k = 0.3387-0.1956 0.2766 ( 1190 PWs) bands (ev): -37.3291 -37.3291 -16.6575 -16.6575 -14.9862 -14.9862 -14.8493 -14.8493 2.1440 2.1440 7.1349 7.1349 9.8319 9.8319 9.8962 9.8962 11.3760 11.3760 14.6564 14.6564 16.4627 16.4627 16.9934 16.9934 k = 0.3468-0.2002 0.2831 ( 1194 PWs) bands (ev): -37.3281 -37.3281 -16.6618 -16.6618 -14.9928 -14.9928 -14.8526 -14.8526 2.1753 2.1753 7.1226 7.1226 9.8888 9.8888 9.9549 9.9549 11.3487 11.3487 14.6884 14.6884 16.3790 16.3790 16.8921 16.8921 k = 0.3548-0.2049 0.2897 ( 1194 PWs) bands (ev): -37.3272 -37.3272 -16.6660 -16.6660 -14.9992 -14.9992 -14.8558 -14.8558 2.2052 2.2052 7.1116 7.1116 9.9453 9.9453 10.0131 10.0131 11.3250 11.3250 14.7195 14.7195 16.2915 16.2915 16.7922 16.7922 k = 0.3629-0.2095 0.2963 ( 1194 PWs) bands (ev): -37.3262 -37.3262 -16.6700 -16.6700 -15.0053 -15.0053 -14.8588 -14.8588 2.2334 2.2334 7.1017 7.1017 10.0011 10.0011 10.0706 10.0706 11.3048 11.3048 14.7497 14.7497 16.2016 16.2016 16.6943 16.6943 k = 0.3710-0.2142 0.3029 ( 1194 PWs) bands (ev): -37.3253 -37.3253 -16.6738 -16.6738 -15.0111 -15.0111 -14.8617 -14.8617 2.2601 2.2601 7.0930 7.0930 10.0559 10.0559 10.1272 10.1272 11.2881 11.2881 14.7789 14.7789 16.1106 16.1106 16.5988 16.5988 k = 0.3790-0.2188 0.3095 ( 1190 PWs) bands (ev): -37.3244 -37.3244 -16.6775 -16.6775 -15.0166 -15.0166 -14.8645 -14.8645 2.2851 2.2851 7.0852 7.0852 10.1097 10.1097 10.1826 10.1826 11.2746 11.2746 14.8069 14.8069 16.0195 16.0195 16.5062 16.5062 k = 0.3871-0.2235 0.3161 ( 1190 PWs) bands (ev): -37.3236 -37.3236 -16.6809 -16.6809 -15.0218 -15.0218 -14.8671 -14.8671 2.3086 2.3086 7.0783 7.0783 10.1620 10.1620 10.2366 10.2366 11.2643 11.2643 14.8337 14.8337 15.9294 15.9294 16.4169 16.4169 k = 0.3952-0.2281 0.3226 ( 1190 PWs) bands (ev): -37.3228 -37.3228 -16.6842 -16.6842 -15.0267 -15.0267 -14.8696 -14.8696 2.3303 2.3303 7.0723 7.0723 10.2126 10.2126 10.2889 10.2889 11.2568 11.2568 14.8591 14.8591 15.8412 15.8412 16.3312 16.3312 k = 0.4032-0.2328 0.3292 ( 1190 PWs) bands (ev): -37.3221 -37.3221 -16.6872 -16.6872 -15.0313 -15.0313 -14.8719 -14.8719 2.3504 2.3504 7.0670 7.0670 10.2612 10.2612 10.3391 10.3391 11.2520 11.2520 14.8831 14.8831 15.7557 15.7557 16.2498 16.2498 k = 0.4113-0.2375 0.3358 ( 1190 PWs) bands (ev): -37.3214 -37.3214 -16.6901 -16.6901 -15.0355 -15.0355 -14.8741 -14.8741 2.3688 2.3688 7.0624 7.0624 10.3075 10.3075 10.3870 10.3870 11.2495 11.2495 14.9056 14.9056 15.6736 15.6736 16.1730 16.1730 k = 0.4194-0.2421 0.3424 ( 1190 PWs) bands (ev): -37.3208 -37.3208 -16.6927 -16.6927 -15.0394 -15.0394 -14.8761 -14.8761 2.3856 2.3856 7.0585 7.0585 10.3512 10.3512 10.4322 10.4322 11.2491 11.2491 14.9265 14.9265 15.5958 15.5958 16.1013 16.1013 k = 0.4274-0.2468 0.3490 ( 1190 PWs) bands (ev): -37.3202 -37.3202 -16.6951 -16.6951 -15.0430 -15.0430 -14.8779 -14.8779 2.4007 2.4007 7.0550 7.0550 10.3920 10.3920 10.4744 10.4744 11.2503 11.2503 14.9456 14.9456 15.5229 15.5229 16.0351 16.0351 k = 0.4355-0.2514 0.3556 ( 1190 PWs) bands (ev): -37.3197 -37.3197 -16.6972 -16.6972 -15.0461 -15.0461 -14.8795 -14.8795 2.4142 2.4142 7.0521 7.0521 10.4296 10.4296 10.5133 10.5133 11.2529 11.2529 14.9629 14.9629 15.4555 15.4555 15.9748 15.9748 k = 0.4435-0.2561 0.3622 ( 1182 PWs) bands (ev): -37.3192 -37.3192 -16.6991 -16.6991 -15.0490 -15.0490 -14.8810 -14.8810 2.4261 2.4261 7.0496 7.0496 10.4636 10.4636 10.5486 10.5486 11.2563 11.2563 14.9783 14.9783 15.3944 15.3944 15.9208 15.9208 k = 0.4516-0.2607 0.3687 ( 1182 PWs) bands (ev): -37.3188 -37.3188 -16.7008 -16.7008 -15.0515 -15.0515 -14.8823 -14.8823 2.4364 2.4364 7.0476 7.0476 10.4938 10.4938 10.5800 10.5800 11.2603 11.2603 14.9919 14.9919 15.3401 15.3401 15.8734 15.8734 k = 0.4597-0.2654 0.3753 ( 1182 PWs) bands (ev): -37.3185 -37.3185 -16.7022 -16.7022 -15.0536 -15.0536 -14.8833 -14.8833 2.4450 2.4450 7.0459 7.0459 10.5199 10.5199 10.6070 10.6070 11.2645 11.2645 15.0034 15.0034 15.2931 15.2931 15.8330 15.8330 k = 0.4677-0.2701 0.3819 ( 1174 PWs) bands (ev): -37.3181 -37.3181 -16.7034 -16.7034 -15.0553 -15.0553 -14.8842 -14.8842 2.4521 2.4521 7.0445 7.0445 10.5416 10.5416 10.6296 10.6296 11.2684 11.2684 15.0129 15.0129 15.2541 15.2541 15.7998 15.7998 k = 0.4758-0.2747 0.3885 ( 1162 PWs) bands (ev): -37.3177 -37.3177 -16.7043 -16.7043 -15.0566 -15.0566 -14.8849 -14.8849 2.4576 2.4576 7.0435 7.0435 10.5587 10.5587 10.6474 10.6474 11.2718 11.2718 15.0203 15.0203 15.2232 15.2232 15.7741 15.7741 k = 0.4839-0.2794 0.3951 ( 1162 PWs) bands (ev): -37.3176 -37.3176 -16.7049 -16.7049 -15.0576 -15.0576 -14.8854 -14.8854 2.4615 2.4615 7.0428 7.0428 10.5710 10.5710 10.6602 10.6602 11.2745 11.2745 15.0257 15.0257 15.2008 15.2008 15.7559 15.7559 k = 0.4919-0.2840 0.4017 ( 1162 PWs) bands (ev): -37.3175 -37.3175 -16.7053 -16.7053 -15.0581 -15.0581 -14.8857 -14.8857 2.4638 2.4638 7.0424 7.0424 10.5785 10.5785 10.6680 10.6680 11.2762 11.2762 15.0289 15.0289 15.1873 15.1873 15.7450 15.7450 k = 0.5000-0.2887 0.4082 ( 1162 PWs) bands (ev): -37.3175 -37.3175 -16.7055 -16.7055 -15.0583 -15.0583 -14.8858 -14.8858 2.4646 2.4646 7.0422 7.0422 10.5810 10.5810 10.6706 10.6706 11.2767 11.2767 15.0299 15.0299 15.1828 15.1828 15.7415 15.7415 k = 0.5000-0.2887 0.4082 ( 1162 PWs) bands (ev): -37.3175 -37.3175 -16.7055 -16.7055 -15.0583 -15.0583 -14.8858 -14.8858 2.4646 2.4646 7.0422 7.0422 10.5810 10.5810 10.6706 10.6706 11.2767 11.2767 15.0299 15.0299 15.1828 15.1828 15.7415 15.7415 k = 0.5000-0.2794 0.4148 ( 1162 PWs) bands (ev): -37.3175 -37.3175 -16.7066 -16.7043 -15.0598 -15.0568 -14.8859 -14.8859 2.4622 2.4671 7.0437 7.0440 10.5799 10.5799 10.6692 10.6696 11.2728 11.2797 15.0177 15.0311 15.1583 15.1810 15.7394 15.7499 k = 0.5000-0.2701 0.4214 ( 1172 PWs) bands (ev): -37.3176 -37.3176 -16.7076 -16.7032 -15.0611 -15.0551 -14.8861 -14.8861 2.4600 2.4696 7.0484 7.0490 10.5764 10.5764 10.6656 10.6664 11.2679 11.2817 14.9866 15.0213 15.1263 15.1536 15.7489 15.7550 k = 0.5000-0.2607 0.4280 ( 1172 PWs) bands (ev): -37.3176 -37.3176 -16.7087 -16.7021 -15.0623 -15.0533 -14.8866 -14.8865 2.4579 2.4724 7.0564 7.0573 10.5699 10.5700 10.6603 10.6613 11.2622 11.2828 14.9303 14.9917 15.1051 15.1210 15.7574 15.7627 k = 0.5000-0.2514 0.4346 ( 1172 PWs) bands (ev): -37.3176 -37.3176 -16.7097 -16.7009 -15.0634 -15.0514 -14.8872 -14.8871 2.4560 2.4752 7.0676 7.0688 10.5596 10.5602 10.6541 10.6551 11.2556 11.2831 14.8561 14.9357 15.0949 15.1013 15.7677 15.7731 k = 0.5000-0.2421 0.4412 ( 1176 PWs) bands (ev): -37.3176 -37.3176 -16.7107 -16.6997 -15.0644 -15.0494 -14.8880 -14.8878 2.4541 2.4780 7.0820 7.0835 10.5447 10.5460 10.6479 10.6487 11.2481 11.2825 14.7736 14.8620 15.0904 15.0932 15.7804 15.7863 k = 0.5000-0.2328 0.4478 ( 1176 PWs) bands (ev): -37.3176 -37.3176 -16.7116 -16.6986 -15.0652 -15.0473 -14.8890 -14.8887 2.4525 2.4810 7.0996 7.1014 10.5246 10.5267 10.6423 10.6427 11.2400 11.2812 14.6881 14.7809 15.0888 15.0903 15.7955 15.8020 k = 0.5000-0.2235 0.4543 ( 1180 PWs) bands (ev): -37.3177 -37.3177 -16.7126 -16.6974 -15.0660 -15.0451 -14.8901 -14.8897 2.4509 2.4840 7.1202 7.1224 10.4992 10.5022 10.6375 10.6375 11.2312 11.2792 14.6024 14.6975 15.0886 15.0899 15.8131 15.8201 k = 0.5000-0.2142 0.4609 ( 1180 PWs) bands (ev): -37.3177 -37.3177 -16.7135 -16.6962 -15.0666 -15.0427 -14.8914 -14.8908 2.4495 2.4871 7.1440 7.1465 10.4685 10.4724 10.6332 10.6335 11.2218 11.2766 14.5181 14.6143 15.0894 15.0908 15.8330 15.8405 k = 0.5000-0.2049 0.4675 ( 1188 PWs) bands (ev): -37.3177 -37.3177 -16.7143 -16.6950 -15.0672 -15.0403 -14.8929 -14.8920 2.4482 2.4903 7.1707 7.1735 10.4328 10.4376 10.6295 10.6301 11.2120 11.2735 14.4361 14.5329 15.0909 15.0925 15.8550 15.8628 k = 0.5000-0.1956 0.4741 ( 1182 PWs) bands (ev): -37.3177 -37.3177 -16.7151 -16.6939 -15.0676 -15.0377 -14.8946 -14.8933 2.4471 2.4934 7.2004 7.2036 10.3925 10.3980 10.6263 10.6271 11.2019 11.2700 14.3570 14.4540 15.0928 15.0947 15.8788 15.8871 k = 0.5000-0.1862 0.4807 ( 1182 PWs) bands (ev): -37.3177 -37.3177 -16.7159 -16.6927 -15.0680 -15.0351 -14.8964 -14.8948 2.4460 2.4966 7.2330 7.2364 10.3479 10.3540 10.6234 10.6244 11.1916 11.2661 14.2814 14.3783 15.0951 15.0972 15.9044 15.9128 k = 0.5000-0.1769 0.4873 ( 1178 PWs) bands (ev): -37.3176 -37.3176 -16.7166 -16.6916 -15.0682 -15.0324 -14.8984 -14.8963 2.4451 2.4998 7.2683 7.2721 10.2992 10.3059 10.6207 10.6217 11.1811 11.2620 14.2094 14.3060 15.0977 15.1000 15.9313 15.9399 k = 0.5000-0.1676 0.4938 ( 1178 PWs) bands (ev): -37.3176 -37.3176 -16.7173 -16.6905 -15.0684 -15.0295 -14.9005 -14.8978 2.4444 2.5029 7.3062 7.3104 10.2469 10.2541 10.6181 10.6191 11.1707 11.2577 14.1414 14.2376 15.1004 15.1030 15.9594 15.9681 k = 0.5000-0.1583 0.5004 ( 1178 PWs) bands (ev): -37.3176 -37.3176 -16.7180 -16.6895 -15.0685 -15.0266 -14.9028 -14.8994 2.4437 2.5060 7.3466 7.3512 10.1912 10.1987 10.6156 10.6165 11.1604 11.2534 14.0774 14.1731 15.1033 15.1061 15.9884 15.9971 k = 0.5000-0.1490 0.5070 ( 1182 PWs) bands (ev): -37.3177 -37.3177 -16.7186 -16.6884 -15.0685 -15.0236 -14.9052 -14.9011 2.4431 2.5090 7.3894 7.3943 10.1325 10.1402 10.6130 10.6139 11.1503 11.2490 14.0176 14.1127 15.1064 15.1093 16.0179 16.0265 k = 0.5000-0.1397 0.5136 ( 1182 PWs) bands (ev): -37.3177 -37.3177 -16.7192 -16.6874 -15.0684 -15.0206 -14.9077 -14.9027 2.4426 2.5120 7.4343 7.4396 10.0712 10.0791 10.6105 10.6113 11.1405 11.2448 13.9619 14.0563 15.1095 15.1126 16.0477 16.0562 k = 0.5000-0.1304 0.5202 ( 1180 PWs) bands (ev): -37.3176 -37.3176 -16.7197 -16.6865 -15.0683 -15.0174 -14.9104 -14.9044 2.4422 2.5148 7.4812 7.4869 10.0076 10.0156 10.6079 10.6086 11.1312 11.2406 13.9104 14.0041 15.1126 15.1158 16.0775 16.0858 k = 0.5000-0.1211 0.5268 ( 1182 PWs) bands (ev): -37.3177 -37.3177 -16.7202 -16.6856 -15.0681 -15.0142 -14.9132 -14.9060 2.4418 2.5176 7.5298 7.5359 9.9423 9.9503 10.6052 10.6058 11.1223 11.2366 13.8630 13.9560 15.1157 15.1191 16.1070 16.1150 k = 0.5000-0.1117 0.5334 ( 1182 PWs) bands (ev): -37.3177 -37.3177 -16.7207 -16.6847 -15.0679 -15.0110 -14.9160 -14.9076 2.4415 2.5202 7.5797 7.5863 9.8759 9.8837 10.6026 10.6031 11.1139 11.2328 13.8197 13.9120 15.1188 15.1222 16.1358 16.1435 k = 0.5000-0.1024 0.5399 ( 1182 PWs) bands (ev): -37.3177 -37.3177 -16.7211 -16.6839 -15.0677 -15.0077 -14.9190 -14.9092 2.4413 2.5227 7.6307 7.6378 9.8087 9.8163 10.6000 10.6004 11.1062 11.2293 13.7804 13.8719 15.1217 15.1253 16.1637 16.1711 k = 0.5000-0.0931 0.5465 ( 1182 PWs) bands (ev): -37.3177 -37.3177 -16.7215 -16.6832 -15.0674 -15.0044 -14.9220 -14.9107 2.4412 2.5250 7.6823 7.6898 9.7416 9.7489 10.5974 10.5978 11.0990 11.2261 13.7450 13.8358 15.1245 15.1282 16.1904 16.1974 k = 0.5000-0.0838 0.5531 ( 1182 PWs) bands (ev): -37.3177 -37.3177 -16.7219 -16.6825 -15.0671 -15.0011 -14.9250 -14.9121 2.4410 2.5272 7.7339 7.7420 9.6752 9.6821 10.5948 10.5952 11.0925 11.2231 13.7133 13.8035 15.1272 15.1309 16.2155 16.2221 k = 0.5000-0.0745 0.5597 ( 1182 PWs) bands (ev): -37.3177 -37.3177 -16.7222 -16.6818 -15.0668 -14.9978 -14.9281 -14.9134 2.4409 2.5291 7.7850 7.7935 9.6104 9.6169 10.5925 10.5928 11.0867 11.2205 13.6854 13.7748 15.1297 15.1335 16.2388 16.2451 k = 0.5000-0.0652 0.5663 ( 1180 PWs) bands (ev): -37.3176 -37.3176 -16.7224 -16.6813 -15.0665 -14.9946 -14.9311 -14.9146 2.4409 2.5309 7.8347 7.8438 9.5481 9.5542 10.5902 10.5906 11.0816 11.2181 13.6610 13.7499 15.1320 15.1358 16.2601 16.2660 k = 0.5000-0.0559 0.5729 ( 1188 PWs) bands (ev): -37.3177 -37.3177 -16.7227 -16.6808 -15.0663 -14.9915 -14.9341 -14.9157 2.4408 2.5324 7.8820 7.8917 9.4895 9.4951 10.5881 10.5885 11.0771 11.2161 13.6400 13.7284 15.1340 15.1379 16.2790 16.2845 k = 0.5000-0.0466 0.5794 ( 1184 PWs) bands (ev): -37.3177 -37.3177 -16.7229 -16.6804 -15.0660 -14.9885 -14.9369 -14.9167 2.4408 2.5338 7.9258 7.9360 9.4359 9.4409 10.5863 10.5867 11.0734 11.2144 13.6225 13.7104 15.1358 15.1397 16.2955 16.3007 k = 0.5000-0.0372 0.5860 ( 1184 PWs) bands (ev): -37.3177 -37.3177 -16.7230 -16.6800 -15.0658 -14.9857 -14.9396 -14.9175 2.4408 2.5349 7.9649 7.9756 9.3887 9.3932 10.5848 10.5852 11.0703 11.2130 13.6083 13.6958 15.1372 15.1411 16.3092 16.3141 k = 0.5000-0.0279 0.5926 ( 1184 PWs) bands (ev): -37.3177 -37.3177 -16.7232 -16.6798 -15.0657 -14.9833 -14.9419 -14.9181 2.4408 2.5357 7.9975 8.0087 9.3495 9.3536 10.5836 10.5840 11.0680 11.2119 13.5973 13.6845 15.1384 15.1423 16.3201 16.3248 k = 0.5000-0.0186 0.5992 ( 1176 PWs) bands (ev): -37.3176 -37.3176 -16.7233 -16.6796 -15.0655 -14.9814 -14.9438 -14.9185 2.4408 2.5364 8.0223 8.0339 9.3201 9.3238 10.5827 10.5831 11.0663 11.2112 13.5895 13.6765 15.1392 15.1432 16.3279 16.3325 k = 0.5000-0.0093 0.6058 ( 1176 PWs) bands (ev): -37.3176 -37.3176 -16.7233 -16.6794 -15.0655 -14.9801 -14.9450 -14.9188 2.4408 2.5367 8.0378 8.0497 9.3017 9.3051 10.5821 10.5826 11.0653 11.2107 13.5848 13.6717 15.1397 15.1437 16.3327 16.3371 k = 0.5000 0.0000 0.6124 ( 1176 PWs) bands (ev): -37.3176 -37.3176 -16.7233 -16.6794 -15.0654 -14.9797 -14.9454 -14.9189 2.4408 2.5369 8.0431 8.0551 9.2954 9.2988 10.5820 10.5824 11.0649 11.2106 13.5833 13.6701 15.1399 15.1438 16.3343 16.3387 k = 0.5000 0.0000 0.6124 ( 1176 PWs) bands (ev): -37.3176 -37.3176 -16.7233 -16.6794 -15.0654 -14.9797 -14.9454 -14.9189 2.4408 2.5369 8.0431 8.0551 9.2954 9.2988 10.5820 10.5824 11.0649 11.2106 13.5833 13.6701 15.1399 15.1438 16.3343 16.3387 k = 0.4943 0.0098 0.6124 ( 1176 PWs) bands (ev): -37.3176 -37.3176 -16.7233 -16.6794 -15.0654 -14.9799 -14.9451 -14.9188 2.4405 2.5366 8.0409 8.0528 9.2969 9.3006 10.5825 10.5837 11.0653 11.2100 13.5849 13.6716 15.1374 15.1438 16.3336 16.3427 k = 0.4886 0.0197 0.6124 ( 1180 PWs) bands (ev): -37.3177 -37.3177 -16.7232 -16.6794 -15.0655 -14.9806 -14.9443 -14.9183 2.4399 2.5357 8.0342 8.0462 9.3014 9.3063 10.5839 10.5871 11.0663 11.2080 13.5900 13.6763 15.1311 15.1421 16.3349 16.3516 k = 0.4830 0.0295 0.6124 ( 1186 PWs) bands (ev): -37.3178 -37.3178 -16.7230 -16.6794 -15.0656 -14.9817 -14.9430 -14.9177 2.4389 2.5343 8.0233 8.0353 9.3093 9.3163 10.5856 10.5921 11.0676 11.2045 13.5987 13.6844 15.1215 15.1378 16.3397 16.3645 k = 0.4773 0.0394 0.6124 ( 1186 PWs) bands (ev): -37.3178 -37.3178 -16.7228 -16.6794 -15.0658 -14.9830 -14.9413 -14.9167 2.4376 2.5325 8.0087 8.0206 9.3210 9.3306 10.5869 10.5981 11.0694 11.1995 13.6110 13.6959 15.1089 15.1305 16.3482 16.3810 k = 0.4716 0.0492 0.6124 ( 1182 PWs) bands (ev): -37.3178 -37.3178 -16.7225 -16.6794 -15.0660 -14.9846 -14.9394 -14.9156 2.4360 2.5303 7.9909 8.0026 9.3366 9.3494 10.5866 10.6040 11.0721 11.1934 13.6269 13.7108 15.0934 15.1202 16.3606 16.4011 k = 0.4659 0.0590 0.6124 ( 1182 PWs) bands (ev): -37.3179 -37.3179 -16.7222 -16.6794 -15.0662 -14.9862 -14.9373 -14.9143 2.4342 2.5277 7.9704 7.9819 9.3561 9.3724 10.5838 10.6087 11.0760 11.1868 13.6462 13.7288 15.0753 15.1070 16.3766 16.4246 k = 0.4602 0.0689 0.6124 ( 1182 PWs) bands (ev): -37.3179 -37.3179 -16.7219 -16.6794 -15.0666 -14.9879 -14.9351 -14.9128 2.4322 2.5249 7.9479 7.9590 9.3792 9.3994 10.5776 10.6111 11.0816 11.1804 13.6686 13.7499 15.0549 15.0911 16.3962 16.4512 k = 0.4545 0.0787 0.6124 ( 1183 PWs) bands (ev): -37.3180 -37.3180 -16.7215 -16.6794 -15.0669 -14.9896 -14.9329 -14.9112 2.4300 2.5218 7.9240 7.9347 9.4059 9.4303 10.5670 10.6100 11.0893 11.1753 13.6937 13.7737 15.0327 15.0728 16.4192 16.4808 k = 0.4489 0.0886 0.6124 ( 1179 PWs) bands (ev): -37.3180 -37.3180 -16.7212 -16.6794 -15.0673 -14.9912 -14.9307 -14.9095 2.4277 2.5186 7.8993 7.9096 9.4360 9.4646 10.5518 10.6042 11.0991 11.1721 13.7213 13.7998 15.0090 15.0524 16.4454 16.5129 k = 0.4432 0.0984 0.6124 ( 1179 PWs) bands (ev): -37.3181 -37.3181 -16.7208 -16.6795 -15.0678 -14.9928 -14.9285 -14.9078 2.4254 2.5153 7.8744 7.8842 9.4690 9.5021 10.5316 10.5929 11.1108 11.1715 13.7506 13.8277 14.9844 15.0304 16.4744 16.5474 k = 0.4375 0.1083 0.6124 ( 1173 PWs) bands (ev): -37.3181 -37.3181 -16.7204 -16.6795 -15.0682 -14.9943 -14.9263 -14.9061 2.4232 2.5120 7.8498 7.8592 9.5048 9.5426 10.5066 10.5757 11.1242 11.1741 13.7813 13.8570 14.9593 15.0071 16.5061 16.5842 k = 0.4318 0.1181 0.6124 ( 1179 PWs) bands (ev): -37.3183 -37.3183 -16.7200 -16.6795 -15.0687 -14.9958 -14.9242 -14.9045 2.4209 2.5087 7.8260 7.8349 9.5431 9.5856 10.4771 10.5525 11.1384 11.1797 13.8128 13.8869 14.9342 14.9830 16.5403 16.6228 k = 0.4261 0.1279 0.6124 ( 1177 PWs) bands (ev): -37.3183 -37.3183 -16.7197 -16.6796 -15.0691 -14.9971 -14.9223 -14.9029 2.4187 2.5055 7.8034 7.8118 9.5836 9.6309 10.4435 10.5234 11.1530 11.1882 13.8444 13.9170 14.9096 14.9587 16.5767 16.6633 k = 0.4205 0.1378 0.6124 ( 1179 PWs) bands (ev): -37.3184 -37.3184 -16.7193 -16.6797 -15.0696 -14.9983 -14.9204 -14.9014 2.4167 2.5024 7.7823 7.7903 9.6261 9.6782 10.4064 10.4892 11.1673 11.1988 13.8755 13.9465 14.8860 14.9344 16.6153 16.7054 k = 0.4148 0.1476 0.6124 ( 1179 PWs) bands (ev): -37.3184 -37.3184 -16.7190 -16.6797 -15.0700 -14.9994 -14.9188 -14.9000 2.4148 2.4996 7.7631 7.7706 9.6702 9.7273 10.3663 10.4503 11.1809 11.2108 13.9054 13.9748 14.8640 14.9107 16.6560 16.7492 k = 0.4091 0.1575 0.6124 ( 1179 PWs) bands (ev): -37.3185 -37.3185 -16.7187 -16.6798 -15.0704 -15.0003 -14.9173 -14.8988 2.4130 2.4970 7.7460 7.7531 9.7156 9.7780 10.3238 10.4075 11.1934 11.2232 13.9336 14.0012 14.8440 14.8880 16.6985 16.7945 k = 0.4034 0.1673 0.6124 ( 1179 PWs) bands (ev): -37.3185 -37.3185 -16.7185 -16.6798 -15.0707 -15.0011 -14.9160 -14.8978 2.4115 2.4948 7.7313 7.7379 9.7619 9.8299 10.2795 10.3615 11.2047 11.2350 13.9592 14.0249 14.8266 14.8669 16.7429 16.8411 k = 0.3977 0.1771 0.6124 ( 1177 PWs) bands (ev): -37.3186 -37.3186 -16.7183 -16.6799 -15.0710 -15.0018 -14.9149 -14.8969 2.4103 2.4929 7.7190 7.7253 9.8087 9.8827 10.2341 10.3130 11.2145 11.2455 13.9816 14.0453 14.8123 14.8479 16.7890 16.8890 k = 0.3920 0.1870 0.6124 ( 1177 PWs) bands (ev): -37.3186 -37.3186 -16.7181 -16.6799 -15.0712 -15.0023 -14.9140 -14.8962 2.4093 2.4914 7.7093 7.7153 9.8551 9.9362 10.1887 10.2626 11.2224 11.2542 14.0000 14.0618 14.8015 14.8315 16.8368 16.9378 k = 0.3864 0.1968 0.6124 ( 1175 PWs) bands (ev): -37.3186 -37.3186 -16.7180 -16.6799 -15.0714 -15.0027 -14.9134 -14.8957 2.4086 2.4903 7.7023 7.7081 9.8993 9.9898 10.1450 10.2110 11.2282 11.2607 14.0138 14.0739 14.7943 14.8185 16.8861 16.9858 k = 0.3807 0.2067 0.6124 ( 1172 PWs) bands (ev): -37.3186 -37.3186 -16.7179 -16.6799 -15.0715 -15.0029 -14.9130 -14.8954 2.4081 2.4896 7.6980 7.7037 9.9367 10.0423 10.1080 10.1596 11.2318 11.2647 14.0224 14.0814 14.7906 14.8098 16.9363 17.0185 k = 0.3750 0.2165 0.6124 ( 1172 PWs) bands (ev): -37.3186 -37.3186 -16.7179 -16.6799 -15.0715 -15.0030 -14.9129 -14.8953 2.4080 2.4894 7.6966 7.7023 9.9536 10.0791 10.0912 10.1232 11.2330 11.2660 14.0253 14.0839 14.7895 14.8066 16.9828 16.9895 k = 0.3750 0.2165 0.6124 ( 1172 PWs) bands (ev): -37.3186 -37.3186 -16.7179 -16.6799 -15.0715 -15.0030 -14.9129 -14.8953 2.4080 2.4894 7.6966 7.7023 9.9536 10.0791 10.0912 10.1232 11.2330 11.2660 14.0253 14.0839 14.7895 14.8066 16.9828 16.9895 k = 0.3693 0.2132 0.6031 ( 1172 PWs) bands (ev): -37.3188 -37.3188 -16.7175 -16.6788 -15.0713 -15.0004 -14.9133 -14.8943 2.4021 2.4850 7.7451 7.7513 9.8797 10.0004 10.0515 10.0805 11.2816 11.3152 13.9686 14.0268 14.8333 14.8460 17.0169 17.0590 k = 0.3636 0.2099 0.5938 ( 1168 PWs) bands (ev): -37.3189 -37.3189 -16.7169 -16.6776 -15.0711 -14.9980 -14.9134 -14.8932 2.3955 2.4798 7.7938 7.8005 9.8018 9.9170 10.0127 10.0387 11.3382 11.3719 13.9119 13.9697 14.8790 14.8872 17.0299 17.1199 k = 0.3580 0.2067 0.5845 ( 1180 PWs) bands (ev): -37.3193 -37.3193 -16.7163 -16.6763 -15.0707 -14.9958 -14.9131 -14.8918 2.3882 2.4736 7.8423 7.8498 9.7209 9.8308 9.9737 9.9976 11.4024 11.4360 13.8553 13.9126 14.9257 14.9295 17.0349 17.1367 k = 0.3523 0.2034 0.5753 ( 1180 PWs) bands (ev): -37.3196 -37.3196 -16.7155 -16.6751 -15.0701 -14.9938 -14.9124 -14.8902 2.3802 2.4666 7.8907 7.8988 9.6377 9.7427 9.9348 9.9570 11.4741 11.5074 13.7991 13.8559 14.9718 14.9723 17.0349 17.1371 k = 0.3466 0.2001 0.5660 ( 1184 PWs) bands (ev): -37.3199 -37.3199 -16.7145 -16.6738 -15.0694 -14.9920 -14.9112 -14.8884 2.3715 2.4585 7.9386 7.9476 9.5531 9.6532 9.8959 9.9168 11.5529 11.5861 13.7432 13.7996 15.0131 15.0180 17.0316 17.1326 k = 0.3409 0.1968 0.5567 ( 1182 PWs) bands (ev): -37.3202 -37.3202 -16.7134 -16.6725 -15.0685 -14.9903 -14.9097 -14.8864 2.3620 2.4494 7.9859 7.9959 9.4675 9.5630 9.8571 9.8771 11.6388 11.6717 13.6879 13.7438 15.0522 15.0615 17.0263 17.1256 k = 0.3352 0.1935 0.5474 ( 1182 PWs) bands (ev): -37.3205 -37.3205 -16.7122 -16.6711 -15.0673 -14.9888 -14.9077 -14.8842 2.3517 2.4393 8.0326 8.0437 9.3816 9.4725 9.8185 9.8377 11.7314 11.7643 13.6333 13.6887 15.0880 15.1017 17.0206 17.1177 k = 0.3295 0.1903 0.5381 ( 1182 PWs) bands (ev): -37.3209 -37.3209 -16.7107 -16.6696 -15.0660 -14.9875 -14.9053 -14.8818 2.3406 2.4281 8.0784 8.0907 9.2959 9.3821 9.7800 9.7987 11.8307 11.8635 13.5795 13.6344 15.1193 15.1374 17.0157 17.1104 k = 0.3239 0.1870 0.5289 ( 1186 PWs) bands (ev): -37.3214 -37.3214 -16.7091 -16.6681 -15.0644 -14.9862 -14.9025 -14.8792 2.3285 2.4158 8.1233 8.1369 9.2107 9.2924 9.7419 9.7600 11.9362 11.9692 13.5266 13.5810 15.1447 15.1673 17.0133 17.1050 k = 0.3182 0.1837 0.5196 ( 1186 PWs) bands (ev): -37.3218 -37.3218 -16.7074 -16.6666 -15.0626 -14.9850 -14.8994 -14.8764 2.3156 2.4024 8.1671 8.1823 9.1266 9.2035 9.7040 9.7218 12.0479 12.0812 13.4748 13.5287 15.1631 15.1903 17.0145 17.1031 k = 0.3125 0.1804 0.5103 ( 1177 PWs) bands (ev): -37.3222 -37.3222 -16.7054 -16.6649 -15.0606 -14.9838 -14.8960 -14.8735 2.3018 2.3879 8.2096 8.2266 9.0439 9.1160 9.6665 9.6840 12.1654 12.1992 13.4242 13.4776 15.1735 15.2053 17.0208 17.1058 k = 0.3068 0.1771 0.5010 ( 1177 PWs) bands (ev): -37.3227 -37.3227 -16.7033 -16.6632 -15.0582 -14.9826 -14.8923 -14.8704 2.2869 2.3721 8.2506 8.2698 8.9630 9.0301 9.6294 9.6466 12.2885 12.3228 13.3749 13.4279 15.1751 15.2114 17.0331 17.1143 k = 0.3011 0.1739 0.4918 ( 1177 PWs) bands (ev): -37.3232 -37.3232 -16.7010 -16.6614 -15.0555 -14.9813 -14.8884 -14.8672 2.2711 2.3552 8.2899 8.3118 8.8846 8.9461 9.5927 9.6097 12.4167 12.4519 13.3271 13.3797 15.1674 15.2081 17.0522 17.1294 k = 0.2955 0.1706 0.4825 ( 1177 PWs) bands (ev): -37.3238 -37.3238 -16.6985 -16.6594 -15.0526 -14.9798 -14.8843 -14.8639 2.2543 2.3371 8.3269 8.3524 8.8092 8.8644 9.5563 9.5731 12.5498 12.5859 13.2810 13.3332 15.1503 15.1952 17.0783 17.1516 k = 0.2898 0.1673 0.4732 ( 1173 PWs) bands (ev): -37.3244 -37.3244 -16.6958 -16.6574 -15.0493 -14.9783 -14.8801 -14.8605 2.2364 2.3178 8.3607 8.3912 8.7381 8.7854 9.5204 9.5370 12.6873 12.7246 13.2368 13.2886 15.1241 15.1728 17.1114 17.1808 k = 0.2841 0.1640 0.4639 ( 1181 PWs) bands (ev): -37.3251 -37.3251 -16.6930 -16.6553 -15.0458 -14.9765 -14.8757 -14.8570 2.2174 2.2971 8.3891 8.4277 8.6735 8.7100 9.4850 9.5014 12.8285 12.8672 13.1947 13.2463 15.0894 15.1416 17.1512 17.2167 k = 0.2784 0.1607 0.4546 ( 1185 PWs) bands (ev): -37.3258 -37.3258 -16.6899 -16.6531 -15.0419 -14.9746 -14.8712 -14.8534 2.1974 2.2753 8.4073 8.4600 8.6204 8.6401 9.4499 9.4662 12.9719 13.0120 13.1562 13.2074 15.0471 15.1025 17.1968 17.2587 k = 0.2727 0.1575 0.4454 ( 1185 PWs) bands (ev): -37.3265 -37.3265 -16.6867 -16.6507 -15.0377 -14.9725 -14.8667 -14.8497 2.1763 2.2523 8.4054 8.4793 8.5846 8.5887 9.4153 9.4314 13.1048 13.1051 13.1753 13.1841 14.9983 15.0564 17.2476 17.3060 k = 0.2670 0.1542 0.4361 ( 1185 PWs) bands (ev): -37.3273 -37.3273 -16.6832 -16.6482 -15.0332 -14.9701 -14.8621 -14.8460 2.1541 2.2279 8.3777 8.4581 8.5710 8.5844 9.3811 9.3970 13.0751 13.1184 13.2855 13.3219 14.9440 15.0047 17.3024 17.3574 k = 0.2614 0.1509 0.4268 ( 1183 PWs) bands (ev): -37.3280 -37.3280 -16.6796 -16.6456 -15.0283 -14.9675 -14.8574 -14.8422 2.1308 2.2024 8.3335 8.4050 8.5909 8.5981 9.3474 9.3631 13.0420 13.0879 13.4349 13.4763 14.8856 14.9486 17.3603 17.4119 k = 0.2557 0.1476 0.4175 ( 1187 PWs) bands (ev): -37.3289 -37.3289 -16.6758 -16.6429 -15.0231 -14.9646 -14.8527 -14.8384 2.1064 2.1756 8.2834 8.3464 8.6177 8.6192 9.3141 9.3295 13.0108 13.0569 13.5881 13.6325 14.8244 14.8897 17.4200 17.4682 k = 0.2500 0.1443 0.4082 ( 1195 PWs) bands (ev): -37.3298 -37.3298 -16.6719 -16.6401 -15.0176 -14.9614 -14.8480 -14.8345 2.0809 2.1476 8.2326 8.2889 8.6427 8.6452 9.2811 9.2963 12.9819 13.0279 13.7415 13.7888 14.7621 14.8297 17.4804 17.5251 k = 0.2443 0.1411 0.3990 ( 1191 PWs) bands (ev): -37.3307 -37.3307 -16.6677 -16.6371 -15.0118 -14.9579 -14.8433 -14.8307 2.0542 2.1183 8.1832 8.2339 8.6664 8.6717 9.2486 9.2636 12.9556 13.0012 13.8929 13.9433 14.7009 14.7710 17.5404 17.5814 k = 0.2386 0.1378 0.3897 ( 1191 PWs) bands (ev): -37.3316 -37.3316 -16.6634 -16.6340 -15.0057 -14.9542 -14.8386 -14.8268 2.0264 2.0879 8.1362 8.1821 8.6893 8.6966 9.2165 9.2312 12.9319 12.9771 14.0380 14.0917 14.6449 14.7176 17.5988 17.6356 k = 0.2330 0.1345 0.3804 ( 1191 PWs) bands (ev): -37.3325 -37.3325 -16.6590 -16.6307 -14.9993 -14.9502 -14.8340 -14.8229 1.9976 2.0564 8.0922 8.1337 8.7108 8.7198 9.1848 9.1991 12.9110 12.9557 14.1687 14.2232 14.6050 14.6779 17.6544 17.6865 k = 0.2273 0.1312 0.3711 ( 1193 PWs) bands (ev): -37.3335 -37.3335 -16.6544 -16.6274 -14.9926 -14.9459 -14.8293 -14.8190 1.9676 2.0237 8.0514 8.0889 8.7307 8.7408 9.1535 9.1674 12.8930 12.9371 14.2659 14.3071 14.6115 14.6703 17.7058 17.7327 k = 0.2216 0.1279 0.3619 ( 1193 PWs) bands (ev): -37.3345 -37.3345 -16.6496 -16.6239 -14.9857 -14.9414 -14.8248 -14.8152 1.9367 1.9899 8.0140 8.0477 8.7487 8.7597 9.1226 9.1361 12.8778 12.9213 14.3049 14.3146 14.6926 14.7194 17.7519 17.7726 k = 0.2159 0.1247 0.3526 ( 1193 PWs) bands (ev): -37.3355 -37.3355 -16.6448 -16.6203 -14.9785 -14.9365 -14.8202 -14.8114 1.9047 1.9551 7.9802 8.0104 8.7647 8.7763 9.0921 9.1051 12.8655 12.9085 14.2777 14.2914 14.8159 14.8187 17.7914 17.8050 k = 0.2102 0.1214 0.3433 ( 1193 PWs) bands (ev): -37.3365 -37.3365 -16.6398 -16.6166 -14.9710 -14.9314 -14.8158 -14.8076 1.8717 1.9193 7.9499 7.9768 8.7784 8.7904 9.0619 9.0744 12.8563 12.8986 14.2267 14.2525 14.9402 14.9498 17.8234 17.8287 k = 0.2045 0.1181 0.3340 ( 1187 PWs) bands (ev): -37.3375 -37.3375 -16.6347 -16.6128 -14.9633 -14.9261 -14.8114 -14.8038 1.8379 1.8827 7.9234 7.9471 8.7898 8.8020 9.0323 9.0441 12.8499 12.8916 14.1720 14.2041 15.0669 15.0827 17.8434 17.8471 k = 0.1989 0.1148 0.3247 ( 1187 PWs) bands (ev): -37.3386 -37.3386 -16.6295 -16.6089 -14.9554 -14.9204 -14.8071 -14.8001 1.8031 1.8451 7.9005 7.9212 8.7988 8.8110 9.0031 9.0142 12.8466 12.8877 14.1173 14.1529 15.1903 15.2092 17.8495 17.8629 k = 0.1932 0.1115 0.3155 ( 1195 PWs) bands (ev): -37.3397 -37.3397 -16.6243 -16.6049 -14.9472 -14.9146 -14.8029 -14.7964 1.7676 1.8069 7.8814 7.8992 8.8054 8.8173 8.9744 8.9846 12.8463 12.8867 14.0642 14.1017 15.3058 15.3259 17.8486 17.8719 k = 0.1875 0.1083 0.3062 ( 1187 PWs) bands (ev): -37.3407 -37.3407 -16.6190 -16.6009 -14.9389 -14.9085 -14.7987 -14.7928 1.7314 1.7680 7.8659 7.8810 8.8095 8.8208 8.9463 8.9554 12.8490 12.8887 14.0135 14.0521 15.4098 15.4298 17.8438 17.8766 k = 0.1818 0.1050 0.2969 ( 1191 PWs) bands (ev): -37.3419 -37.3419 -16.6136 -16.5967 -14.9305 -14.9022 -14.7947 -14.7893 1.6945 1.7284 7.8540 7.8665 8.8111 8.8213 8.9190 8.9265 12.8546 12.8936 13.9658 14.0049 15.4991 15.5180 17.8386 17.8803 k = 0.1761 0.1017 0.2876 ( 1191 PWs) bands (ev): -37.3430 -37.3430 -16.6082 -16.5925 -14.9219 -14.8957 -14.7907 -14.7859 1.6571 1.6884 7.8457 7.8558 8.8102 8.8187 8.8927 8.8981 12.8631 12.9013 13.9213 13.9605 15.5711 15.5882 17.8371 17.8867 k = 0.1705 0.0984 0.2784 ( 1191 PWs) bands (ev): -37.3441 -37.3441 -16.6028 -16.5883 -14.9131 -14.8890 -14.7869 -14.7825 1.6192 1.6480 7.8409 7.8487 8.8070 8.8123 8.8682 8.8701 12.8744 12.9119 13.8802 13.9193 15.6235 15.6384 17.8425 17.8992 k = 0.1648 0.0951 0.2691 ( 1193 PWs) bands (ev): -37.3453 -37.3453 -16.5974 -16.5840 -14.9043 -14.8821 -14.7832 -14.7792 1.5810 1.6074 7.8395 7.8451 8.8013 8.8014 8.8426 8.8462 12.8885 12.9253 13.8427 13.8814 15.6551 15.6676 17.8574 17.9200 k = 0.1591 0.0919 0.2598 ( 1193 PWs) bands (ev): -37.3464 -37.3464 -16.5920 -16.5798 -14.8955 -14.8752 -14.7795 -14.7759 1.5425 1.5666 7.8414 7.8450 8.7854 8.7934 8.8156 8.8275 12.9053 12.9413 13.8087 13.8469 15.6655 15.6757 17.8830 17.9504 k = 0.1534 0.0886 0.2505 ( 1189 PWs) bands (ev): -37.3475 -37.3475 -16.5866 -16.5755 -14.8865 -14.8680 -14.7760 -14.7728 1.5039 1.5257 7.8465 7.8483 8.7653 8.7828 8.7897 8.8112 12.9247 12.9599 13.7783 13.8159 15.6558 15.6639 17.9189 17.9900 k = 0.1477 0.0853 0.2412 ( 1191 PWs) bands (ev): -37.3486 -37.3486 -16.5813 -16.5712 -14.8776 -14.8608 -14.7726 -14.7697 1.4652 1.4849 7.8547 7.8548 8.7430 8.7623 8.7722 8.7957 12.9465 12.9809 13.7513 13.7882 15.6277 15.6341 17.9640 18.0375 k = 0.1420 0.0820 0.2320 ( 1191 PWs) bands (ev): -37.3497 -37.3497 -16.5761 -16.5669 -14.8687 -14.8536 -14.7694 -14.7668 1.4266 1.4444 7.8643 7.8658 8.7199 8.7371 8.7582 8.7797 12.9707 13.0043 13.7277 13.7637 15.5836 15.5886 18.0162 18.0912 k = 0.1364 0.0787 0.2227 ( 1197 PWs) bands (ev): -37.3508 -37.3508 -16.5709 -16.5626 -14.8598 -14.8462 -14.7662 -14.7639 1.3882 1.4041 7.8767 7.8796 8.6967 8.7124 8.7428 8.7627 12.9970 13.0298 13.7073 13.7424 15.5262 15.5300 18.0734 18.1488 k = 0.1307 0.0754 0.2134 ( 1187 PWs) bands (ev): -37.3518 -37.3518 -16.5658 -16.5584 -14.8510 -14.8389 -14.7632 -14.7612 1.3502 1.3643 7.8918 7.8960 8.6737 8.6882 8.7259 8.7446 13.0254 13.0573 13.6899 13.7241 15.4580 15.4609 18.1336 18.2085 k = 0.1250 0.0722 0.2041 ( 1187 PWs) bands (ev): -37.3529 -37.3529 -16.5608 -16.5543 -14.8423 -14.8315 -14.7603 -14.7585 1.3126 1.3251 7.9095 7.9148 8.6512 8.6647 8.7078 8.7255 13.0557 13.0867 13.6753 13.7085 15.3813 15.3835 18.1949 18.2686 k = 0.1193 0.0689 0.1948 ( 1187 PWs) bands (ev): -37.3539 -37.3539 -16.5560 -16.5502 -14.8337 -14.8242 -14.7575 -14.7560 1.2756 1.2865 7.9295 7.9358 8.6293 8.6419 8.6888 8.7055 13.0876 13.1177 13.6634 13.6954 15.2983 15.3000 18.2559 18.3276 k = 0.1136 0.0656 0.1856 ( 1191 PWs) bands (ev): -37.3549 -37.3549 -16.5513 -16.5462 -14.8252 -14.8170 -14.7549 -14.7535 1.2393 1.2488 7.9516 7.9587 8.6080 8.6199 8.6689 8.6848 13.1210 13.1501 13.6538 13.6848 15.2108 15.2120 18.3156 18.3848 k = 0.1080 0.0623 0.1763 ( 1191 PWs) bands (ev): -37.3559 -37.3559 -16.5467 -16.5423 -14.8170 -14.8098 -14.7523 -14.7512 1.2039 1.2121 7.9755 7.9834 8.5874 8.5987 8.6484 8.6636 13.1556 13.1837 13.6464 13.6762 15.1202 15.1211 18.3732 18.4395 k = 0.1023 0.0590 0.1670 ( 1191 PWs) bands (ev): -37.3569 -37.3569 -16.5423 -16.5385 -14.8089 -14.8028 -14.7499 -14.7490 1.1694 1.1764 8.0011 8.0095 8.5676 8.5782 8.6276 8.6420 13.1912 13.2183 13.6410 13.6695 15.0280 15.0286 18.4285 18.4915 k = 0.0966 0.0558 0.1577 ( 1203 PWs) bands (ev): -37.3579 -37.3579 -16.5381 -16.5348 -14.8011 -14.7959 -14.7477 -14.7469 1.1359 1.1419 8.0280 8.0368 8.5486 8.5587 8.6066 8.6203 13.2275 13.2536 13.6372 13.6645 14.9352 14.9355 18.4812 18.5406 k = 0.0909 0.0525 0.1485 ( 1205 PWs) bands (ev): -37.3588 -37.3588 -16.5340 -16.5313 -14.7936 -14.7892 -14.7456 -14.7449 1.1037 1.1087 8.0560 8.0651 8.5305 8.5400 8.5856 8.5986 13.2644 13.2893 13.6350 13.6610 14.8428 14.8429 18.5312 18.5869 k = 0.0852 0.0492 0.1392 ( 1205 PWs) bands (ev): -37.3597 -37.3597 -16.5302 -16.5279 -14.7863 -14.7827 -14.7436 -14.7430 1.0727 1.0769 8.0847 8.0940 8.5133 8.5223 8.5649 8.5773 13.3014 13.3252 13.6340 13.6586 14.7517 14.7517 18.5785 18.6304 k = 0.0795 0.0459 0.1299 ( 1209 PWs) bands (ev): -37.3605 -37.3605 -16.5265 -16.5247 -14.7794 -14.7764 -14.7417 -14.7412 1.0432 1.0466 8.1139 8.1232 8.4970 8.5056 8.5447 8.5564 13.3383 13.3609 13.6341 13.6574 14.6625 14.6627 18.6232 18.6712 k = 0.0739 0.0426 0.1206 ( 1209 PWs) bands (ev): -37.3612 -37.3612 -16.5231 -16.5216 -14.7729 -14.7705 -14.7400 -14.7396 1.0152 1.0180 8.1432 8.1525 8.4816 8.4898 8.5251 8.5361 13.3748 13.3961 13.6351 13.6569 14.5763 14.5766 18.6654 18.7095 k = 0.0682 0.0394 0.1113 ( 1209 PWs) bands (ev): -37.3620 -37.3620 -16.5199 -16.5187 -14.7667 -14.7648 -14.7384 -14.7381 0.9889 0.9910 8.1723 8.1814 8.4673 8.4750 8.5063 8.5167 13.4105 13.4305 13.6368 13.6571 14.4935 14.4939 18.7050 18.7453 k = 0.0625 0.0361 0.1021 ( 1213 PWs) bands (ev): -37.3627 -37.3627 -16.5170 -16.5161 -14.7609 -14.7594 -14.7369 -14.7367 0.9643 0.9659 8.2008 8.2096 8.4540 8.4613 8.4886 8.4983 13.4452 13.4638 13.6390 13.6578 14.4149 14.4153 18.7420 18.7785 k = 0.0568 0.0328 0.0928 ( 1213 PWs) bands (ev): -37.3633 -37.3633 -16.5142 -16.5136 -14.7556 -14.7545 -14.7355 -14.7354 0.9415 0.9427 8.2285 8.2368 8.4417 8.4487 8.4719 8.4810 13.4784 13.4956 13.6416 13.6589 14.3410 14.3414 18.7765 18.8092 k = 0.0511 0.0295 0.0835 ( 1213 PWs) bands (ev): -37.3638 -37.3638 -16.5118 -16.5113 -14.7507 -14.7499 -14.7343 -14.7342 0.9205 0.9215 8.2549 8.2626 8.4305 8.4370 8.4566 8.4650 13.5099 13.5256 13.6444 13.6601 14.2723 14.2728 18.8083 18.8373 k = 0.0455 0.0262 0.0742 ( 1217 PWs) bands (ev): -37.3644 -37.3644 -16.5096 -16.5092 -14.7462 -14.7457 -14.7332 -14.7332 0.9016 0.9022 8.2797 8.2868 8.4204 8.4264 8.4427 8.4504 13.5392 13.5534 13.6473 13.6615 14.2094 14.2098 18.8372 18.8625 k = 0.0398 0.0230 0.0649 ( 1227 PWs) bands (ev): -37.3649 -37.3649 -16.5076 -16.5073 -14.7423 -14.7419 -14.7323 -14.7322 0.8847 0.8851 8.3025 8.3088 8.4113 8.4168 8.4305 8.4374 13.5661 13.5787 13.6501 13.6627 14.1527 14.1531 18.8632 18.8847 k = 0.0341 0.0197 0.0557 ( 1227 PWs) bands (ev): -37.3653 -37.3653 -16.5059 -16.5057 -14.7389 -14.7386 -14.7315 -14.7314 0.8699 0.8702 8.3230 8.3285 8.4033 8.4082 8.4202 8.4261 13.5904 13.6012 13.6530 13.6639 14.1027 14.1030 18.8860 18.9038 k = 0.0284 0.0164 0.0464 ( 1233 PWs) bands (ev): -37.3657 -37.3657 -16.5044 -16.5043 -14.7359 -14.7358 -14.7308 -14.7307 0.8573 0.8575 8.3409 8.3455 8.3965 8.4005 8.4118 8.4166 13.6115 13.6207 13.6556 13.6648 14.0597 14.0599 18.9054 18.9193 k = 0.0227 0.0131 0.0371 ( 1233 PWs) bands (ev): -37.3660 -37.3660 -16.5032 -16.5032 -14.7335 -14.7334 -14.7302 -14.7302 0.8470 0.8470 8.3559 8.3593 8.3907 8.3938 8.4055 8.4090 13.6294 13.6368 13.6580 13.6654 14.0240 14.0241 18.9212 18.9311 k = 0.0170 0.0098 0.0278 ( 1237 PWs) bands (ev): -37.3663 -37.3663 -16.5023 -16.5023 -14.7316 -14.7316 -14.7298 -14.7297 0.8388 0.8389 8.3674 8.3698 8.3862 8.3883 8.4014 8.4034 13.6438 13.6494 13.6601 13.6657 13.9960 13.9961 18.9329 18.9392 k = 0.0114 0.0066 0.0186 ( 1243 PWs) bands (ev): -37.3665 -37.3665 -16.5017 -16.5017 -14.7303 -14.7303 -14.7294 -14.7294 0.8330 0.8330 8.3753 8.3764 8.3829 8.3842 8.3993 8.4002 13.6544 13.6582 13.6619 13.6657 13.9758 13.9758 18.9408 18.9440 k = 0.0057 0.0033 0.0093 ( 1243 PWs) bands (ev): -37.3666 -37.3666 -16.5013 -16.5013 -14.7295 -14.7295 -14.7293 -14.7293 0.8295 0.8295 8.3793 8.3797 8.3810 8.3816 8.3989 8.3990 13.6613 13.6631 13.6634 13.6653 13.9637 13.9637 18.9451 18.9460 k = 0.0000 0.0000 0.0000 ( 1243 PWs) bands (ev): -37.3666 -37.3666 -16.5011 -16.5011 -14.7292 -14.7292 -14.7292 -14.7292 0.8283 0.8283 8.3805 8.3805 8.3805 8.3805 8.3989 8.3989 13.6643 13.6643 13.6643 13.6643 13.9596 13.9596 18.9468 18.9468 k = 0.0000 0.0000 0.0000 ( 1243 PWs) bands (ev): -37.3666 -37.3666 -16.5011 -16.5011 -14.7292 -14.7292 -14.7292 -14.7292 0.8283 0.8283 8.3805 8.3805 8.3805 8.3805 8.3989 8.3989 13.6643 13.6643 13.6643 13.6643 13.9596 13.9596 18.9468 18.9468 k = 0.0093 0.0053 0.0038 ( 1243 PWs) bands (ev): -37.3666 -37.3666 -16.5013 -16.5013 -14.7295 -14.7295 -14.7292 -14.7292 0.8295 0.8295 8.3796 8.3796 8.3809 8.3816 8.3990 8.3990 13.6617 13.6632 13.6632 13.6648 13.9636 13.9636 18.9455 18.9455 k = 0.0185 0.0107 0.0076 ( 1242 PWs) bands (ev): -37.3665 -37.3665 -16.5017 -16.5017 -14.7303 -14.7303 -14.7294 -14.7294 0.8330 0.8330 8.3762 8.3762 8.3827 8.3840 8.3996 8.3996 13.6571 13.6600 13.6600 13.6632 13.9758 13.9758 18.9410 18.9410 k = 0.0278 0.0160 0.0113 ( 1239 PWs) bands (ev): -37.3663 -37.3663 -16.5023 -16.5023 -14.7317 -14.7317 -14.7297 -14.7297 0.8388 0.8388 8.3694 8.3694 8.3859 8.3879 8.4019 8.4019 13.6504 13.6546 13.6546 13.6596 13.9958 13.9958 18.9317 18.9317 k = 0.0370 0.0214 0.0151 ( 1233 PWs) bands (ev): -37.3660 -37.3660 -16.5032 -16.5032 -14.7336 -14.7336 -14.7300 -14.7300 0.8469 0.8469 8.3592 8.3592 8.3906 8.3932 8.4060 8.4060 13.6418 13.6473 13.6473 13.6540 14.0237 14.0237 18.9170 18.9170 k = 0.0463 0.0267 0.0189 ( 1233 PWs) bands (ev): -37.3657 -37.3657 -16.5044 -16.5044 -14.7361 -14.7361 -14.7305 -14.7305 0.8573 0.8573 8.3458 8.3458 8.3965 8.3998 8.4118 8.4118 13.6313 13.6380 13.6380 13.6465 14.0591 14.0591 18.8971 18.8971 k = 0.0556 0.0321 0.0227 ( 1218 PWs) bands (ev): -37.3652 -37.3652 -16.5058 -16.5058 -14.7391 -14.7391 -14.7311 -14.7311 0.8699 0.8699 8.3295 8.3295 8.4039 8.4078 8.4192 8.4192 13.6193 13.6270 13.6270 13.6373 14.1017 14.1017 18.8725 18.8725 k = 0.0648 0.0374 0.0265 ( 1212 PWs) bands (ev): -37.3648 -37.3648 -16.5074 -16.5074 -14.7426 -14.7426 -14.7317 -14.7317 0.8847 0.8847 8.3108 8.3108 8.4125 8.4171 8.4279 8.4279 13.6058 13.6145 13.6145 13.6266 14.1512 14.1512 18.8436 18.8436 k = 0.0741 0.0428 0.0302 ( 1212 PWs) bands (ev): -37.3643 -37.3643 -16.5093 -16.5093 -14.7466 -14.7466 -14.7325 -14.7325 0.9015 0.9015 8.2899 8.2899 8.4224 8.4277 8.4380 8.4380 13.5910 13.6006 13.6006 13.6145 14.2071 14.2071 18.8111 18.8111 k = 0.0833 0.0481 0.0340 ( 1209 PWs) bands (ev): -37.3638 -37.3638 -16.5115 -16.5115 -14.7510 -14.7510 -14.7333 -14.7333 0.9205 0.9205 8.2671 8.2671 8.4335 8.4394 8.4493 8.4493 13.5752 13.5855 13.5855 13.6014 14.2689 14.2689 18.7754 18.7754 k = 0.0926 0.0535 0.0378 ( 1209 PWs) bands (ev): -37.3632 -37.3632 -16.5138 -16.5138 -14.7560 -14.7560 -14.7343 -14.7343 0.9413 0.9413 8.2429 8.2429 8.4457 8.4522 8.4618 8.4618 13.5587 13.5696 13.5696 13.5874 14.3361 14.3361 18.7370 18.7370 k = 0.1019 0.0588 0.0416 ( 1209 PWs) bands (ev): -37.3626 -37.3626 -16.5164 -16.5164 -14.7614 -14.7614 -14.7353 -14.7353 0.9641 0.9641 8.2174 8.2174 8.4590 8.4662 8.4754 8.4754 13.5416 13.5531 13.5531 13.5728 14.4082 14.4082 18.6965 18.6965 k = 0.1111 0.0642 0.0454 ( 1209 PWs) bands (ev): -37.3620 -37.3620 -16.5193 -16.5193 -14.7672 -14.7672 -14.7364 -14.7364 0.9887 0.9887 8.1912 8.1912 8.4733 8.4811 8.4900 8.4900 13.5244 13.5363 13.5363 13.5579 14.4845 14.4845 18.6544 18.6544 k = 0.1204 0.0695 0.0491 ( 1209 PWs) bands (ev): -37.3613 -37.3613 -16.5223 -16.5223 -14.7734 -14.7734 -14.7376 -14.7376 1.0150 1.0150 8.1644 8.1644 8.4885 8.4969 8.5055 8.5055 13.5071 13.5194 13.5194 13.5429 14.5642 14.5642 18.6113 18.6113 k = 0.1296 0.0748 0.0529 ( 1209 PWs) bands (ev): -37.3605 -37.3605 -16.5255 -16.5255 -14.7799 -14.7799 -14.7389 -14.7389 1.0429 1.0429 8.1374 8.1374 8.5046 8.5136 8.5219 8.5219 13.4902 13.5027 13.5027 13.5281 14.6467 14.6467 18.5679 18.5679 k = 0.1389 0.0802 0.0567 ( 1209 PWs) bands (ev): -37.3598 -37.3598 -16.5289 -16.5289 -14.7868 -14.7868 -14.7403 -14.7403 1.0723 1.0723 8.1106 8.1106 8.5214 8.5310 8.5390 8.5390 13.4739 13.4865 13.4865 13.5138 14.7312 14.7312 18.5247 18.5247 k = 0.1481 0.0855 0.0605 ( 1203 PWs) bands (ev): -37.3589 -37.3589 -16.5325 -16.5325 -14.7940 -14.7940 -14.7417 -14.7417 1.1030 1.1030 8.0843 8.0843 8.5389 8.5490 8.5568 8.5568 13.4585 13.4711 13.4711 13.5003 14.8167 14.8167 18.4826 18.4826 k = 0.1574 0.0909 0.0643 ( 1203 PWs) bands (ev): -37.3580 -37.3580 -16.5363 -16.5363 -14.8016 -14.8016 -14.7431 -14.7431 1.1350 1.1350 8.0586 8.0586 8.5570 8.5676 8.5752 8.5752 13.4442 13.4567 13.4567 13.4878 14.9022 14.9022 18.4421 18.4421 k = 0.1667 0.0962 0.0680 ( 1197 PWs) bands (ev): -37.3570 -37.3570 -16.5402 -16.5402 -14.8093 -14.8093 -14.7447 -14.7447 1.1681 1.1681 8.0340 8.0340 8.5755 8.5866 8.5940 8.5940 13.4314 13.4436 13.4436 13.4766 14.9868 14.9868 18.4040 18.4040 k = 0.1759 0.1016 0.0718 ( 1197 PWs) bands (ev): -37.3561 -37.3561 -16.5443 -16.5443 -14.8173 -14.8173 -14.7463 -14.7463 1.2022 1.2022 8.0107 8.0107 8.5943 8.6059 8.6132 8.6132 13.4201 13.4320 13.4320 13.4670 15.0693 15.0693 18.3691 18.3691 k = 0.1852 0.1069 0.0756 ( 1197 PWs) bands (ev): -37.3551 -37.3551 -16.5485 -16.5485 -14.8255 -14.8255 -14.7479 -14.7479 1.2371 1.2371 7.9890 7.9890 8.6134 8.6255 8.6327 8.6327 13.4108 13.4223 13.4223 13.4592 15.1484 15.1484 18.3382 18.3382 k = 0.1944 0.1123 0.0794 ( 1191 PWs) bands (ev): -37.3541 -37.3541 -16.5529 -16.5529 -14.8338 -14.8338 -14.7495 -14.7495 1.2727 1.2727 7.9690 7.9690 8.6327 8.6452 8.6523 8.6523 13.4036 13.4146 13.4146 13.4534 15.2229 15.2229 18.3120 18.3120 k = 0.2037 0.1176 0.0832 ( 1191 PWs) bands (ev): -37.3531 -37.3531 -16.5573 -16.5573 -14.8423 -14.8423 -14.7513 -14.7513 1.3088 1.3088 7.9510 7.9510 8.6520 8.6649 8.6719 8.6719 13.3988 13.4091 13.4091 13.4498 15.2915 15.2915 18.2914 18.2914 k = 0.2130 0.1230 0.0869 ( 1197 PWs) bands (ev): -37.3521 -37.3521 -16.5618 -16.5618 -14.8509 -14.8509 -14.7530 -14.7530 1.3453 1.3453 7.9351 7.9351 8.6712 8.6844 8.6915 8.6915 13.3965 13.4060 13.4060 13.4487 15.3528 15.3528 18.2766 18.2766 k = 0.2222 0.1283 0.0907 ( 1197 PWs) bands (ev): -37.3511 -37.3511 -16.5665 -16.5665 -14.8596 -14.8596 -14.7547 -14.7547 1.3821 1.3821 7.9215 7.9215 8.6902 8.7038 8.7109 8.7109 13.3969 13.4056 13.4056 13.4502 15.4055 15.4055 18.2682 18.2682 k = 0.2315 0.1336 0.0945 ( 1197 PWs) bands (ev): -37.3501 -37.3501 -16.5711 -16.5711 -14.8683 -14.8683 -14.7565 -14.7565 1.4189 1.4189 7.9105 7.9105 8.7090 8.7228 8.7300 8.7300 13.4002 13.4080 13.4080 13.4545 15.4486 15.4486 18.2659 18.2659 k = 0.2407 0.1390 0.0983 ( 1197 PWs) bands (ev): -37.3490 -37.3490 -16.5759 -16.5759 -14.8770 -14.8770 -14.7583 -14.7583 1.4557 1.4557 7.9020 7.9020 8.7275 8.7415 8.7488 8.7488 13.4066 13.4133 13.4133 13.4617 15.4811 15.4811 18.2693 18.2693 k = 0.2500 0.1443 0.1021 ( 1185 PWs) bands (ev): -37.3478 -37.3478 -16.5806 -16.5806 -14.8857 -14.8857 -14.7601 -14.7601 1.4923 1.4923 7.8963 7.8963 8.7455 8.7596 8.7671 8.7671 13.4161 13.4217 13.4217 13.4720 15.5025 15.5025 18.2772 18.2772 k = 0.2593 0.1497 0.1058 ( 1185 PWs) bands (ev): -37.3468 -37.3468 -16.5854 -16.5854 -14.8943 -14.8943 -14.7619 -14.7619 1.5286 1.5286 7.8933 7.8933 8.7629 8.7772 8.7849 8.7849 13.4289 13.4332 13.4332 13.4854 15.5123 15.5123 18.2876 18.2876 k = 0.2685 0.1550 0.1096 ( 1185 PWs) bands (ev): -37.3457 -37.3457 -16.5902 -16.5902 -14.9029 -14.9029 -14.7636 -14.7636 1.5644 1.5644 7.8931 7.8931 8.7798 8.7941 8.8020 8.8020 13.4450 13.4479 13.4479 13.5020 15.5107 15.5107 18.2980 18.2980 k = 0.2778 0.1604 0.1134 ( 1182 PWs) bands (ev): -37.3446 -37.3446 -16.5950 -16.5950 -14.9113 -14.9113 -14.7654 -14.7654 1.5995 1.5995 7.8958 7.8958 8.7960 8.8103 8.8185 8.8185 13.4645 13.4659 13.4659 13.5219 15.4980 15.4980 18.3054 18.3054 k = 0.2870 0.1657 0.1172 ( 1182 PWs) bands (ev): -37.3436 -37.3436 -16.5997 -16.5997 -14.9197 -14.9197 -14.7672 -14.7672 1.6339 1.6339 7.9012 7.9012 8.8114 8.8257 8.8343 8.8343 13.4872 13.4872 13.4873 13.5450 15.4747 15.4747 18.3064 18.3064 k = 0.2963 0.1711 0.1210 ( 1182 PWs) bands (ev): -37.3426 -37.3426 -16.6044 -16.6044 -14.9278 -14.9278 -14.7689 -14.7689 1.6674 1.6674 7.9095 7.9095 8.8262 8.8403 8.8492 8.8492 13.5117 13.5117 13.5135 13.5714 15.4417 15.4417 18.2983 18.2983 k = 0.3056 0.1764 0.1247 ( 1182 PWs) bands (ev): -37.3416 -37.3416 -16.6091 -16.6091 -14.9358 -14.9358 -14.7706 -14.7706 1.7000 1.7000 7.9205 7.9205 8.8401 8.8540 8.8634 8.8634 13.5394 13.5394 13.5430 13.6009 15.3999 15.3999 18.2795 18.2795 k = 0.3148 0.1818 0.1285 ( 1176 PWs) bands (ev): -37.3405 -37.3405 -16.6136 -16.6136 -14.9436 -14.9436 -14.7722 -14.7722 1.7314 1.7314 7.9340 7.9340 8.8532 8.8668 8.8767 8.8767 13.5703 13.5703 13.5758 13.6335 15.3504 15.3504 18.2496 18.2496 k = 0.3241 0.1871 0.1323 ( 1176 PWs) bands (ev): -37.3396 -37.3396 -16.6181 -16.6181 -14.9511 -14.9511 -14.7738 -14.7738 1.7617 1.7617 7.9501 7.9501 8.8654 8.8788 8.8891 8.8891 13.6041 13.6041 13.6117 13.6691 15.2941 15.2941 18.2097 18.2097 k = 0.3333 0.1925 0.1361 ( 1176 PWs) bands (ev): -37.3387 -37.3387 -16.6224 -16.6224 -14.9584 -14.9584 -14.7754 -14.7754 1.7907 1.7907 7.9684 7.9684 8.8768 8.8898 8.9007 8.9007 13.6407 13.6407 13.6505 13.7075 15.2322 15.2322 18.1617 18.1617 k = 0.3426 0.1978 0.1399 ( 1176 PWs) bands (ev): -37.3378 -37.3378 -16.6266 -16.6266 -14.9654 -14.9654 -14.7769 -14.7769 1.8183 1.8183 7.9888 7.9888 8.8874 8.9000 8.9114 8.9114 13.6800 13.6800 13.6920 13.7484 15.1659 15.1659 18.1081 18.1081 k = 0.3519 0.2031 0.1436 ( 1176 PWs) bands (ev): -37.3369 -37.3369 -16.6307 -16.6307 -14.9721 -14.9721 -14.7784 -14.7784 1.8446 1.8446 8.0110 8.0110 8.8971 8.9092 8.9212 8.9212 13.7216 13.7216 13.7361 13.7917 15.0961 15.0961 18.0510 18.0510 k = 0.3611 0.2085 0.1474 ( 1173 PWs) bands (ev): -37.3360 -37.3360 -16.6346 -16.6346 -14.9785 -14.9785 -14.7798 -14.7798 1.8694 1.8694 8.0348 8.0348 8.9061 8.9177 8.9302 8.9302 13.7653 13.7653 13.7824 13.8370 15.0240 15.0240 17.9920 17.9920 k = 0.3704 0.2138 0.1512 ( 1179 PWs) bands (ev): -37.3353 -37.3353 -16.6383 -16.6383 -14.9846 -14.9846 -14.7811 -14.7811 1.8927 1.8927 8.0599 8.0599 8.9142 8.9252 8.9384 8.9384 13.8107 13.8107 13.8305 13.8839 14.9505 14.9505 17.9315 17.9315 k = 0.3796 0.2192 0.1550 ( 1179 PWs) bands (ev): -37.3346 -37.3346 -16.6418 -16.6418 -14.9903 -14.9903 -14.7823 -14.7823 1.9144 1.9144 8.0858 8.0858 8.9216 8.9320 8.9458 8.9458 13.8573 13.8573 13.8801 13.9321 14.8769 14.8769 17.8655 17.8655 k = 0.3889 0.2245 0.1588 ( 1176 PWs) bands (ev): -37.3338 -37.3338 -16.6452 -16.6452 -14.9956 -14.9956 -14.7835 -14.7835 1.9346 1.9346 8.1122 8.1122 8.9283 8.9380 8.9524 8.9524 13.9048 13.9048 13.9307 13.9811 14.8040 14.8040 17.7844 17.7865 k = 0.3981 0.2299 0.1625 ( 1185 PWs) bands (ev): -37.3333 -37.3333 -16.6483 -16.6483 -15.0006 -15.0006 -14.7846 -14.7846 1.9531 1.9531 8.1388 8.1388 8.9343 8.9433 8.9583 8.9583 13.9524 13.9524 13.9818 14.0302 14.7329 14.7329 17.6987 17.7022 k = 0.4074 0.2352 0.1663 ( 1185 PWs) bands (ev): -37.3327 -37.3327 -16.6512 -16.6512 -15.0052 -15.0052 -14.7856 -14.7856 1.9701 1.9701 8.1651 8.1651 8.9396 8.9480 8.9636 8.9636 13.9995 13.9995 14.0329 14.0789 14.6645 14.6645 17.6160 17.6191 k = 0.4167 0.2406 0.1701 ( 1182 PWs) bands (ev): -37.3321 -37.3321 -16.6538 -16.6538 -15.0094 -15.0094 -14.7866 -14.7866 1.9854 1.9854 8.1906 8.1906 8.9443 8.9519 8.9682 8.9682 14.0455 14.0455 14.0832 14.1265 14.6000 14.6000 17.5371 17.5392 k = 0.4259 0.2459 0.1739 ( 1182 PWs) bands (ev): -37.3316 -37.3316 -16.6562 -16.6562 -15.0131 -15.0131 -14.7874 -14.7874 1.9991 1.9991 8.2150 8.2150 8.9485 8.9553 8.9722 8.9722 14.0893 14.0893 14.1320 14.1722 14.5404 14.5404 17.4631 17.4637 k = 0.4352 0.2513 0.1777 ( 1182 PWs) bands (ev): -37.3311 -37.3311 -16.6584 -16.6584 -15.0165 -15.0165 -14.7882 -14.7882 2.0112 2.0112 8.2378 8.2378 8.9521 8.9581 8.9757 8.9757 14.1298 14.1298 14.1785 14.2151 14.4866 14.4866 17.3937 17.3937 k = 0.4444 0.2566 0.1814 ( 1182 PWs) bands (ev): -37.3307 -37.3307 -16.6602 -16.6602 -15.0194 -15.0194 -14.7888 -14.7888 2.0216 2.0216 8.2586 8.2586 8.9553 8.9604 8.9786 8.9786 14.1657 14.1657 14.2219 14.2545 14.4401 14.4401 17.3303 17.3303 k = 0.4537 0.2619 0.1852 ( 1182 PWs) bands (ev): -37.3304 -37.3304 -16.6618 -16.6618 -15.0219 -15.0219 -14.7894 -14.7894 2.0305 2.0305 8.2769 8.2769 8.9579 8.9623 8.9810 8.9810 14.1952 14.1952 14.2612 14.2894 14.4025 14.4025 17.2745 17.2745 k = 0.4630 0.2673 0.1890 ( 1182 PWs) bands (ev): -37.3301 -37.3301 -16.6631 -16.6631 -15.0239 -15.0239 -14.7898 -14.7898 2.0377 2.0377 8.2925 8.2925 8.9601 8.9636 8.9829 8.9829 14.2160 14.2160 14.2956 14.3188 14.3757 14.3757 17.2272 17.2272 k = 0.4722 0.2726 0.1928 ( 1182 PWs) bands (ev): -37.3299 -37.3299 -16.6642 -16.6642 -15.0255 -15.0255 -14.7902 -14.7902 2.0433 2.0433 8.3049 8.3049 8.9619 8.9646 8.9844 8.9844 14.2264 14.2264 14.3242 14.3420 14.3610 14.3610 17.1893 17.1893 k = 0.4815 0.2780 0.1966 ( 1182 PWs) bands (ev): -37.3298 -37.3298 -16.6649 -16.6649 -15.0266 -15.0266 -14.7904 -14.7904 2.0473 2.0473 8.3140 8.3140 8.9633 8.9651 8.9854 8.9854 14.2283 14.2283 14.3461 14.3564 14.3564 14.3583 17.1616 17.1616 k = 0.4907 0.2833 0.2003 ( 1182 PWs) bands (ev): -37.3297 -37.3297 -16.6653 -16.6653 -15.0273 -15.0273 -14.7906 -14.7906 2.0497 2.0497 8.3195 8.3195 8.9643 8.9652 8.9861 8.9861 14.2266 14.2266 14.3566 14.3566 14.3608 14.3670 17.1448 17.1448 k = 0.5000 0.2887 0.2041 ( 1170 PWs) bands (ev): -37.3295 -37.3295 -16.6655 -16.6655 -15.0276 -15.0276 -14.7906 -14.7906 2.0505 2.0505 8.3214 8.3214 8.9650 8.9650 8.9863 8.9863 14.2255 14.2255 14.3572 14.3572 14.3679 14.3679 17.1391 17.1391 k = 0.5000 0.2887 0.2041 ( 1170 PWs) bands (ev): -37.3295 -37.3295 -16.6655 -16.6655 -15.0276 -15.0276 -14.7906 -14.7906 2.0505 2.0505 8.3214 8.3214 8.9650 8.9650 8.9863 8.9863 14.2255 14.2255 14.3572 14.3572 14.3679 14.3679 17.1391 17.1391 k = 0.5033 0.2792 0.2095 ( 1178 PWs) bands (ev): -37.3296 -37.3296 -16.6665 -16.6646 -15.0289 -15.0262 -14.7908 -14.7908 2.0492 2.0532 8.3205 8.3233 8.9649 8.9650 8.9862 8.9866 14.2151 14.2298 14.3460 14.3601 14.3678 14.3699 17.1395 17.1420 k = 0.5066 0.2697 0.2149 ( 1178 PWs) bands (ev): -37.3295 -37.3295 -16.6676 -16.6637 -15.0302 -15.0249 -14.7914 -14.7914 2.0491 2.0571 8.3207 8.3263 8.9636 8.9643 8.9875 8.9879 14.1979 14.2267 14.3306 14.3545 14.3669 14.3748 17.1438 17.1467 k = 0.5099 0.2602 0.2202 ( 1178 PWs) bands (ev): -37.3295 -37.3295 -16.6688 -16.6629 -15.0315 -15.0236 -14.7923 -14.7923 2.0503 2.0623 8.3220 8.3304 8.9597 8.9616 8.9914 8.9917 14.1729 14.2130 14.3139 14.3449 14.3658 14.3796 17.1518 17.1528 k = 0.5132 0.2507 0.2256 ( 1180 PWs) bands (ev): -37.3294 -37.3294 -16.6700 -16.6622 -15.0329 -15.0224 -14.7936 -14.7936 2.0528 2.0687 8.3242 8.3353 8.9529 8.9561 8.9983 8.9993 14.1387 14.1852 14.2988 14.3330 14.3660 14.3849 17.1604 17.1629 k = 0.5164 0.2412 0.2310 ( 1180 PWs) bands (ev): -37.3292 -37.3292 -16.6713 -16.6616 -15.0342 -15.0211 -14.7953 -14.7952 2.0565 2.0764 8.3274 8.3411 8.9435 8.9481 9.0083 9.0101 14.0946 14.1428 14.2854 14.3193 14.3686 14.3912 17.1699 17.1762 k = 0.5197 0.2317 0.2364 ( 1180 PWs) bands (ev): -37.3291 -37.3291 -16.6726 -16.6611 -15.0356 -15.0198 -14.7973 -14.7971 2.0614 2.0852 8.3312 8.3475 8.9323 8.9382 9.0211 9.0235 14.0408 14.0879 14.2718 14.3044 14.3741 14.3991 17.1811 17.1912 k = 0.5230 0.2222 0.2417 ( 1182 PWs) bands (ev): -37.3289 -37.3289 -16.6740 -16.6607 -15.0369 -15.0185 -14.7997 -14.7993 2.0674 2.0951 8.3357 8.3543 8.9197 8.9270 9.0365 9.0396 13.9780 14.0231 14.2568 14.2882 14.3826 14.4088 17.1939 17.2074 k = 0.5263 0.2127 0.2471 ( 1182 PWs) bands (ev): -37.3287 -37.3287 -16.6755 -16.6603 -15.0383 -15.0173 -14.8024 -14.8019 2.0746 2.1060 8.3404 8.3612 8.9064 8.9151 9.0545 9.0581 13.9072 13.9499 14.2398 14.2707 14.3939 14.4206 17.2083 17.2246 k = 0.5296 0.2032 0.2525 ( 1187 PWs) bands (ev): -37.3285 -37.3285 -16.6770 -16.6601 -15.0397 -15.0160 -14.8055 -14.8047 2.0828 2.1180 8.3451 8.3678 8.8929 8.9033 9.0747 9.0789 13.8293 13.8698 14.2210 14.2520 14.4076 14.4342 17.2237 17.2426 k = 0.5329 0.1937 0.2578 ( 1187 PWs) bands (ev): -37.3282 -37.3282 -16.6786 -16.6599 -15.0411 -15.0148 -14.8088 -14.8077 2.0920 2.1308 8.3493 8.3736 8.8799 8.8923 9.0973 9.1021 13.7454 13.7837 14.2006 14.2322 14.4234 14.4497 17.2401 17.2612 k = 0.5362 0.1842 0.2632 ( 1185 PWs) bands (ev): -37.3279 -37.3279 -16.6802 -16.6598 -15.0424 -15.0135 -14.8125 -14.8110 2.1021 2.1445 8.3524 8.3779 8.8682 8.8829 9.1220 9.1274 13.6563 13.6928 14.1790 14.2115 14.4410 14.4669 17.2570 17.2801 k = 0.5395 0.1747 0.2686 ( 1185 PWs) bands (ev): -37.3276 -37.3276 -16.6819 -16.6598 -15.0438 -15.0123 -14.8164 -14.8145 2.1131 2.1589 8.3539 8.3800 8.8588 8.8763 9.1489 9.1548 13.5629 13.5976 14.1564 14.1899 14.4603 14.4857 17.2741 17.2988 k = 0.5428 0.1652 0.2740 ( 1181 PWs) bands (ev): -37.3272 -37.3272 -16.6836 -16.6599 -15.0452 -15.0110 -14.8206 -14.8182 2.1248 2.1740 8.3530 8.3792 8.8527 8.8734 9.1777 9.1842 13.4660 13.4990 14.1331 14.1678 14.4811 14.5059 17.2912 17.3171 k = 0.5461 0.1557 0.2793 ( 1181 PWs) bands (ev): -37.3269 -37.3269 -16.6853 -16.6601 -15.0465 -15.0098 -14.8250 -14.8221 2.1372 2.1896 8.3491 8.3749 8.8506 8.8751 9.2084 9.2155 13.3661 13.3977 14.1094 14.1453 14.5031 14.5274 17.3078 17.3346 k = 0.5493 0.1462 0.2847 ( 1183 PWs) bands (ev): -37.3265 -37.3265 -16.6870 -16.6604 -15.0479 -15.0086 -14.8296 -14.8260 2.1501 2.2058 8.3417 8.3665 8.8536 8.8821 9.2410 9.2486 13.2639 13.2941 14.0855 14.1228 14.5262 14.5500 17.3236 17.3509 k = 0.5526 0.1367 0.2901 ( 1185 PWs) bands (ev): -37.3262 -37.3262 -16.6888 -16.6608 -15.0493 -15.0074 -14.8344 -14.8301 2.1636 2.2222 8.3303 8.3539 8.8620 8.8949 9.2751 9.2833 13.1600 13.1888 14.0618 14.1004 14.5503 14.5735 17.3383 17.3655 k = 0.5559 0.1272 0.2954 ( 1183 PWs) bands (ev): -37.3257 -37.3257 -16.6906 -16.6612 -15.0506 -15.0062 -14.8393 -14.8343 2.1774 2.2390 8.3151 8.3372 8.8762 8.9137 9.3109 9.3197 13.0547 13.0824 14.0385 14.0783 14.5752 14.5977 17.3517 17.3781 k = 0.5592 0.1177 0.3008 ( 1181 PWs) bands (ev): -37.3253 -37.3253 -16.6924 -16.6617 -15.0520 -15.0050 -14.8444 -14.8385 2.1916 2.2558 8.2962 8.3168 8.8962 8.9382 9.3480 9.3574 12.9485 12.9751 14.0159 14.0570 14.6007 14.6224 17.3632 17.3880 k = 0.5625 0.1083 0.3062 ( 1179 PWs) bands (ev): -37.3249 -37.3249 -16.6941 -16.6623 -15.0533 -15.0038 -14.8495 -14.8427 2.2059 2.2728 8.2741 8.2932 8.9217 8.9682 9.3863 9.3964 12.8419 12.8676 13.9941 14.0364 14.6265 14.6474 17.3728 17.3946 k = 0.5658 0.0988 0.3116 ( 1182 PWs) bands (ev): -37.3245 -37.3245 -16.6959 -16.6630 -15.0547 -15.0027 -14.8548 -14.8469 2.2204 2.2897 8.2492 8.2669 8.9526 9.0033 9.4258 9.4364 12.7352 12.7600 13.9734 14.0170 14.6525 14.6725 17.3800 17.3974 k = 0.5691 0.0893 0.3169 ( 1178 PWs) bands (ev): -37.3240 -37.3240 -16.6977 -16.6638 -15.0560 -15.0016 -14.8600 -14.8511 2.2348 2.3064 8.2220 8.2385 8.9883 9.0432 9.4661 9.4774 12.6288 12.6529 13.9541 13.9989 14.6785 14.6975 17.3846 17.3956 k = 0.5724 0.0798 0.3223 ( 1176 PWs) bands (ev): -37.3236 -37.3236 -16.6994 -16.6646 -15.0573 -15.0005 -14.8652 -14.8552 2.2492 2.3229 8.1930 8.2084 9.0286 9.0875 9.5072 9.5192 12.5229 12.5464 13.9364 13.9824 14.7041 14.7220 17.3864 17.3889 k = 0.5757 0.0703 0.3277 ( 1178 PWs) bands (ev): -37.3232 -37.3232 -16.7011 -16.6654 -15.0586 -14.9995 -14.8704 -14.8593 2.2635 2.3390 8.1627 8.1771 9.0731 9.1359 9.5488 9.5615 12.4180 12.4410 13.9205 13.9676 14.7290 14.7457 17.3771 17.3851 k = 0.5789 0.0608 0.3330 ( 1178 PWs) bands (ev): -37.3228 -37.3228 -16.7028 -16.6664 -15.0598 -14.9986 -14.8754 -14.8632 2.2774 2.3547 8.1315 8.1448 9.1214 9.1880 9.5908 9.6042 12.3143 12.3370 13.9066 13.9549 14.7531 14.7684 17.3603 17.3805 k = 0.5822 0.0513 0.3384 ( 1180 PWs) bands (ev): -37.3224 -37.3224 -16.7045 -16.6673 -15.0611 -14.9978 -14.8804 -14.8669 2.2911 2.3699 8.0995 8.1120 9.1733 9.2436 9.6329 9.6470 12.2122 12.2347 13.8950 13.9443 14.7759 14.7896 17.3392 17.3723 k = 0.5855 0.0418 0.3438 ( 1180 PWs) bands (ev): -37.3220 -37.3220 -16.7061 -16.6683 -15.0623 -14.9971 -14.8851 -14.8705 2.3043 2.3845 8.0672 8.0789 9.2285 9.3025 9.6750 9.6898 12.1119 12.1344 13.8859 13.9362 14.7971 14.8092 17.3145 17.3604 k = 0.5888 0.0323 0.3492 ( 1178 PWs) bands (ev): -37.3216 -37.3216 -16.7076 -16.6693 -15.0635 -14.9965 -14.8896 -14.8739 2.3170 2.3983 8.0347 8.0457 9.2866 9.3643 9.7167 9.7322 12.0138 12.0365 13.8793 13.9307 14.8164 14.8266 17.2868 17.3445 k = 0.5921 0.0228 0.3545 ( 1176 PWs) bands (ev): -37.3212 -37.3212 -16.7091 -16.6704 -15.0646 -14.9960 -14.8938 -14.8771 2.3292 2.4115 8.0021 8.0124 9.3473 9.4287 9.7579 9.7742 11.9183 11.9413 13.8757 13.9280 14.8334 14.8416 17.2570 17.3246 k = 0.5954 0.0133 0.3599 ( 1174 PWs) bands (ev): -37.3208 -37.3208 -16.7104 -16.6715 -15.0657 -14.9958 -14.8977 -14.8801 2.3407 2.4238 7.9698 7.9794 9.4101 9.4954 9.7983 9.8155 11.8257 11.8493 13.8751 13.9283 14.8476 14.8537 17.2259 17.3007 k = 0.5987 0.0038 0.3653 ( 1176 PWs) bands (ev): -37.3204 -37.3204 -16.7117 -16.6725 -15.0667 -14.9957 -14.9013 -14.8828 2.3515 2.4352 7.9376 7.9467 9.4746 9.5639 9.8377 9.8559 11.7365 11.7608 13.8776 13.9317 14.8588 14.8626 17.1941 17.2735 k = 0.6020-0.0057 0.3706 ( 1178 PWs) bands (ev): -37.3201 -37.3201 -16.7129 -16.6736 -15.0677 -14.9959 -14.9044 -14.8853 2.3616 2.4456 7.9058 7.9143 9.5403 9.6337 9.8759 9.8951 11.6512 11.6765 13.8835 13.9384 14.8664 14.8678 17.1626 17.2438 k = 0.6053-0.0152 0.3760 ( 1178 PWs) bands (ev): -37.3198 -37.3198 -16.7140 -16.6746 -15.0685 -14.9963 -14.9070 -14.8876 2.3709 2.4551 7.8744 7.8824 9.6064 9.7042 9.9126 9.9330 11.5704 11.5968 13.8929 13.9485 14.8692 14.8703 17.1320 17.2125 k = 0.6086-0.0247 0.3814 ( 1178 PWs) bands (ev): -37.3196 -37.3196 -16.7150 -16.6756 -15.0693 -14.9969 -14.9092 -14.8895 2.3794 2.4636 7.8435 7.8510 9.6721 9.7745 9.9475 9.9693 11.4948 11.5226 13.9058 13.9622 14.8664 14.8701 17.1029 17.1797 k = 0.6118-0.0342 0.3868 ( 1176 PWs) bands (ev): -37.3193 -37.3193 -16.7159 -16.6766 -15.0700 -14.9978 -14.9109 -14.8912 2.3870 2.4710 7.8130 7.8201 9.7365 9.8437 9.9806 10.0041 11.4252 11.4545 13.9224 13.9794 14.8593 14.8657 17.0761 17.1452 k = 0.6151-0.0437 0.3921 ( 1178 PWs) bands (ev): -37.3191 -37.3191 -16.7166 -16.6775 -15.0706 -14.9989 -14.9120 -14.8926 2.3937 2.4773 7.7831 7.7898 9.7982 9.9105 10.0116 10.0370 11.3629 11.3936 13.9426 14.0001 14.8479 14.8570 17.0518 17.1084 k = 0.6184-0.0532 0.3975 ( 1178 PWs) bands (ev): -37.3189 -37.3189 -16.7172 -16.6784 -15.0711 -15.0001 -14.9128 -14.8938 2.3994 2.4825 7.7537 7.7600 9.8560 9.9734 10.0403 10.0679 11.3090 11.3411 13.9666 14.0246 14.8322 14.8440 17.0299 17.0689 k = 0.6217-0.0627 0.4029 ( 1172 PWs) bands (ev): -37.3187 -37.3187 -16.7176 -16.6792 -15.0714 -15.0015 -14.9130 -14.8947 2.4042 2.4865 7.7249 7.7309 9.9083 10.0305 10.0666 10.0968 11.2652 11.2981 13.9942 14.0525 14.8126 14.8271 17.0099 17.0269 k = 0.6250-0.0722 0.4082 ( 1172 PWs) bands (ev): -37.3186 -37.3186 -16.7179 -16.6799 -15.0715 -15.0030 -14.9129 -14.8953 2.4080 2.4894 7.6966 7.7023 9.9536 10.0791 10.0912 10.1232 11.2330 11.2660 14.0253 14.0839 14.7895 14.8066 16.9828 16.9895 k = 0.6250-0.0722 0.4082 ( 1172 PWs) bands (ev): -37.3186 -37.3186 -16.7179 -16.6799 -15.0715 -15.0030 -14.9129 -14.8953 2.4080 2.4894 7.6966 7.7023 9.9536 10.0791 10.0912 10.1232 11.2330 11.2660 14.0253 14.0839 14.7895 14.8066 16.9828 16.9895 k = 0.6193-0.0689 0.4175 ( 1172 PWs) bands (ev): -37.3186 -37.3186 -16.7179 -16.6799 -15.0715 -15.0029 -14.9130 -14.8954 2.4081 2.4896 7.6980 7.7037 9.9367 10.0423 10.1080 10.1596 11.2318 11.2647 14.0224 14.0814 14.7906 14.8098 16.9363 17.0185 k = 0.6136-0.0656 0.4268 ( 1175 PWs) bands (ev): -37.3186 -37.3186 -16.7180 -16.6799 -15.0714 -15.0027 -14.9134 -14.8957 2.4086 2.4903 7.7023 7.7081 9.8993 9.9898 10.1450 10.2110 11.2282 11.2607 14.0138 14.0739 14.7943 14.8185 16.8861 16.9858 k = 0.6080-0.0623 0.4361 ( 1177 PWs) bands (ev): -37.3186 -37.3186 -16.7181 -16.6799 -15.0712 -15.0023 -14.9140 -14.8962 2.4093 2.4914 7.7093 7.7153 9.8551 9.9362 10.1887 10.2626 11.2224 11.2542 14.0000 14.0618 14.8015 14.8315 16.8368 16.9378 k = 0.6023-0.0590 0.4454 ( 1177 PWs) bands (ev): -37.3186 -37.3186 -16.7183 -16.6799 -15.0710 -15.0018 -14.9149 -14.8969 2.4103 2.4929 7.7190 7.7253 9.8087 9.8827 10.2341 10.3130 11.2145 11.2455 13.9816 14.0453 14.8123 14.8479 16.7890 16.8890 k = 0.5966-0.0558 0.4546 ( 1179 PWs) bands (ev): -37.3185 -37.3185 -16.7185 -16.6798 -15.0707 -15.0011 -14.9160 -14.8978 2.4115 2.4948 7.7313 7.7379 9.7619 9.8299 10.2795 10.3615 11.2047 11.2350 13.9592 14.0249 14.8266 14.8669 16.7429 16.8411 k = 0.5909-0.0525 0.4639 ( 1179 PWs) bands (ev): -37.3185 -37.3185 -16.7187 -16.6798 -15.0704 -15.0003 -14.9173 -14.8988 2.4130 2.4970 7.7460 7.7531 9.7156 9.7780 10.3238 10.4075 11.1934 11.2232 13.9336 14.0012 14.8440 14.8880 16.6985 16.7945 k = 0.5852-0.0492 0.4732 ( 1179 PWs) bands (ev): -37.3184 -37.3184 -16.7190 -16.6797 -15.0700 -14.9994 -14.9188 -14.9000 2.4148 2.4996 7.7631 7.7706 9.6702 9.7273 10.3663 10.4503 11.1809 11.2108 13.9054 13.9748 14.8640 14.9107 16.6560 16.7492 k = 0.5795-0.0459 0.4825 ( 1179 PWs) bands (ev): -37.3184 -37.3184 -16.7193 -16.6797 -15.0696 -14.9983 -14.9204 -14.9014 2.4167 2.5024 7.7823 7.7903 9.6261 9.6782 10.4064 10.4892 11.1673 11.1988 13.8755 13.9465 14.8860 14.9344 16.6153 16.7054 k = 0.5739-0.0426 0.4918 ( 1177 PWs) bands (ev): -37.3183 -37.3183 -16.7197 -16.6796 -15.0691 -14.9971 -14.9223 -14.9029 2.4187 2.5055 7.8034 7.8118 9.5836 9.6309 10.4435 10.5234 11.1530 11.1882 13.8444 13.9170 14.9096 14.9587 16.5767 16.6633 k = 0.5682-0.0394 0.5010 ( 1179 PWs) bands (ev): -37.3183 -37.3183 -16.7200 -16.6795 -15.0687 -14.9958 -14.9242 -14.9045 2.4209 2.5087 7.8260 7.8349 9.5431 9.5856 10.4771 10.5525 11.1384 11.1797 13.8128 13.8869 14.9342 14.9830 16.5403 16.6228 k = 0.5625-0.0361 0.5103 ( 1173 PWs) bands (ev): -37.3181 -37.3181 -16.7204 -16.6795 -15.0682 -14.9943 -14.9263 -14.9061 2.4232 2.5120 7.8498 7.8592 9.5048 9.5426 10.5066 10.5757 11.1242 11.1741 13.7813 13.8570 14.9593 15.0071 16.5061 16.5842 k = 0.5568-0.0328 0.5196 ( 1179 PWs) bands (ev): -37.3181 -37.3181 -16.7208 -16.6795 -15.0678 -14.9928 -14.9285 -14.9078 2.4254 2.5153 7.8744 7.8842 9.4690 9.5021 10.5316 10.5929 11.1108 11.1715 13.7506 13.8277 14.9844 15.0304 16.4744 16.5474 k = 0.5511-0.0295 0.5289 ( 1179 PWs) bands (ev): -37.3180 -37.3180 -16.7212 -16.6794 -15.0673 -14.9912 -14.9307 -14.9095 2.4277 2.5186 7.8993 7.9096 9.4360 9.4646 10.5518 10.6042 11.0991 11.1721 13.7213 13.7998 15.0090 15.0524 16.4454 16.5129 k = 0.5455-0.0262 0.5381 ( 1183 PWs) bands (ev): -37.3180 -37.3180 -16.7215 -16.6794 -15.0669 -14.9896 -14.9329 -14.9112 2.4300 2.5218 7.9240 7.9347 9.4059 9.4303 10.5670 10.6100 11.0893 11.1753 13.6937 13.7737 15.0327 15.0728 16.4192 16.4808 k = 0.5398-0.0230 0.5474 ( 1182 PWs) bands (ev): -37.3179 -37.3179 -16.7219 -16.6794 -15.0666 -14.9879 -14.9351 -14.9128 2.4322 2.5249 7.9479 7.9590 9.3792 9.3994 10.5776 10.6111 11.0816 11.1804 13.6686 13.7499 15.0549 15.0911 16.3962 16.4512 k = 0.5341-0.0197 0.5567 ( 1182 PWs) bands (ev): -37.3179 -37.3179 -16.7222 -16.6794 -15.0662 -14.9862 -14.9373 -14.9143 2.4342 2.5277 7.9704 7.9819 9.3561 9.3724 10.5838 10.6087 11.0760 11.1868 13.6462 13.7288 15.0753 15.1070 16.3766 16.4246 k = 0.5284-0.0164 0.5660 ( 1182 PWs) bands (ev): -37.3178 -37.3178 -16.7225 -16.6794 -15.0660 -14.9846 -14.9394 -14.9156 2.4360 2.5303 7.9909 8.0026 9.3366 9.3494 10.5866 10.6040 11.0721 11.1934 13.6269 13.7108 15.0934 15.1202 16.3606 16.4011 k = 0.5227-0.0131 0.5753 ( 1186 PWs) bands (ev): -37.3178 -37.3178 -16.7228 -16.6794 -15.0658 -14.9830 -14.9413 -14.9167 2.4376 2.5325 8.0087 8.0206 9.3210 9.3306 10.5869 10.5981 11.0694 11.1995 13.6110 13.6959 15.1089 15.1305 16.3482 16.3810 k = 0.5170-0.0098 0.5845 ( 1186 PWs) bands (ev): -37.3178 -37.3178 -16.7230 -16.6794 -15.0656 -14.9817 -14.9430 -14.9177 2.4389 2.5343 8.0233 8.0353 9.3093 9.3163 10.5856 10.5921 11.0676 11.2045 13.5987 13.6844 15.1215 15.1378 16.3397 16.3645 k = 0.5114-0.0066 0.5938 ( 1180 PWs) bands (ev): -37.3177 -37.3177 -16.7232 -16.6794 -15.0655 -14.9806 -14.9443 -14.9183 2.4399 2.5357 8.0342 8.0462 9.3014 9.3063 10.5839 10.5871 11.0663 11.2080 13.5900 13.6763 15.1311 15.1421 16.3349 16.3516 k = 0.5057-0.0033 0.6031 ( 1176 PWs) bands (ev): -37.3176 -37.3176 -16.7233 -16.6794 -15.0654 -14.9799 -14.9451 -14.9188 2.4405 2.5366 8.0409 8.0528 9.2969 9.3006 10.5825 10.5837 11.0653 11.2100 13.5849 13.6716 15.1374 15.1438 16.3336 16.3427 k = 0.5000 0.0000 0.6124 ( 1176 PWs) bands (ev): -37.3176 -37.3176 -16.7233 -16.6794 -15.0654 -14.9797 -14.9454 -14.9189 2.4408 2.5369 8.0431 8.0551 9.2954 9.2988 10.5820 10.5824 11.0649 11.2106 13.5833 13.6701 15.1399 15.1438 16.3343 16.3387 k = 0.5000 0.0000 0.6124 ( 1176 PWs) bands (ev): -37.3176 -37.3176 -16.7233 -16.6794 -15.0654 -14.9797 -14.9454 -14.9189 2.4408 2.5369 8.0431 8.0551 9.2954 9.2988 10.5820 10.5824 11.0649 11.2106 13.5833 13.6701 15.1399 15.1438 16.3343 16.3387 k = 0.5000 0.0066 0.6031 ( 1176 PWs) bands (ev): -37.3176 -37.3176 -16.7233 -16.6794 -15.0654 -14.9798 -14.9452 -14.9187 2.4403 2.5364 8.0439 8.0560 9.2920 9.2958 10.5828 10.5848 11.0656 11.2095 13.5849 13.6715 15.1358 15.1435 16.3353 16.3472 k = 0.5000 0.0131 0.5938 ( 1176 PWs) bands (ev): -37.3176 -37.3176 -16.7231 -16.6792 -15.0654 -14.9799 -14.9447 -14.9181 2.4390 2.5349 8.0460 8.0586 9.2820 9.2867 10.5849 10.5910 11.0682 11.2067 13.5899 13.6756 15.1263 15.1398 16.3444 16.3664 k = 0.5000 0.0197 0.5845 ( 1184 PWs) bands (ev): -37.3178 -37.3178 -16.7228 -16.6790 -15.0654 -14.9802 -14.9438 -14.9172 2.4367 2.5325 8.0497 8.0630 9.2661 9.2720 10.5863 10.5997 11.0744 11.2036 13.5979 13.6824 15.1128 15.1319 16.3625 16.3944 k = 0.5000 0.0262 0.5753 ( 1188 PWs) bands (ev): -37.3180 -37.3180 -16.7224 -16.6786 -15.0654 -14.9806 -14.9425 -14.9159 2.4336 2.5291 8.0548 8.0692 9.2451 9.2521 10.5844 10.6080 11.0863 11.2025 13.6089 13.6916 15.0961 15.1201 16.3894 16.4303 k = 0.5000 0.0328 0.5660 ( 1188 PWs) bands (ev): -37.3181 -37.3181 -16.7219 -16.6782 -15.0654 -14.9811 -14.9408 -14.9143 2.4295 2.5248 8.0613 8.0770 9.2198 9.2279 10.5764 10.6127 11.1064 11.2067 13.6223 13.7030 15.0766 15.1049 16.4241 16.4731 k = 0.5000 0.0394 0.5567 ( 1190 PWs) bands (ev): -37.3183 -37.3183 -16.7212 -16.6777 -15.0653 -14.9817 -14.9387 -14.9124 2.4246 2.5195 8.0694 8.0863 9.1912 9.2003 10.5601 10.6102 11.1366 11.2193 13.6379 13.7164 15.0551 15.0867 16.4657 16.5218 k = 0.5000 0.0459 0.5474 ( 1186 PWs) bands (ev): -37.3184 -37.3184 -16.7205 -16.6771 -15.0652 -14.9825 -14.9362 -14.9102 2.4189 2.5133 8.0788 8.0973 9.1601 9.1701 10.5346 10.5977 11.1774 11.2432 13.6552 13.7314 15.0319 15.0662 16.5133 16.5755 k = 0.5000 0.0525 0.5381 ( 1186 PWs) bands (ev): -37.3186 -37.3186 -16.7196 -16.6765 -15.0651 -14.9833 -14.9334 -14.9077 2.4123 2.5062 8.0897 8.1097 9.1274 9.1381 10.5000 10.5737 11.2286 11.2796 13.6739 13.7477 15.0076 15.0439 16.5657 16.6332 k = 0.5000 0.0590 0.5289 ( 1186 PWs) bands (ev): -37.3189 -37.3189 -16.7187 -16.6758 -15.0649 -14.9842 -14.9301 -14.9050 2.4049 2.4981 8.1019 8.1235 9.0936 9.1050 10.4575 10.5387 11.2889 11.3282 13.6937 13.7651 14.9823 15.0202 16.6220 16.6940 k = 0.5000 0.0656 0.5196 ( 1188 PWs) bands (ev): -37.3192 -37.3192 -16.7176 -16.6750 -15.0646 -14.9852 -14.9266 -14.9021 2.3966 2.4892 8.1154 8.1387 9.0595 9.0713 10.4082 10.4940 11.3570 11.3879 13.7142 13.7833 14.9565 14.9954 16.6812 16.7569 k = 0.5000 0.0722 0.5103 ( 1188 PWs) bands (ev): -37.3195 -37.3195 -16.7165 -16.6742 -15.0643 -14.9863 -14.9227 -14.8990 2.3876 2.4794 8.1301 8.1551 9.0254 9.0377 10.3535 10.4415 11.4318 11.4569 13.7351 13.8022 14.9304 14.9700 16.7423 16.8211 k = 0.5000 0.0787 0.5010 ( 1186 PWs) bands (ev): -37.3198 -37.3198 -16.7153 -16.6733 -15.0640 -14.9875 -14.9185 -14.8957 2.3779 2.4687 8.1459 8.1727 8.9919 9.0046 10.2945 10.3829 11.5121 11.5338 13.7564 13.8215 14.9040 14.9442 16.8044 16.8858 k = 0.5000 0.0853 0.4918 ( 1186 PWs) bands (ev): -37.3201 -37.3201 -16.7140 -16.6724 -15.0635 -14.9886 -14.9140 -14.8922 2.3674 2.4572 8.1627 8.1912 8.9593 8.9723 10.2323 10.3196 11.5973 11.6172 13.7777 13.8411 14.8776 14.9181 16.8667 16.9501 k = 0.5000 0.0919 0.4825 ( 1186 PWs) bands (ev): -37.3205 -37.3205 -16.7126 -16.6715 -15.0630 -14.9898 -14.9093 -14.8886 2.3563 2.4449 8.1804 8.2107 8.9279 8.9412 10.1677 10.2530 11.6866 11.7059 13.7990 13.8609 14.8512 14.8919 16.9283 17.0133 k = 0.5000 0.0984 0.4732 ( 1186 PWs) bands (ev): -37.3208 -37.3208 -16.7111 -16.6706 -15.0624 -14.9910 -14.9044 -14.8849 2.3445 2.4319 8.1988 8.2309 8.8981 8.9116 10.1016 10.1842 11.7796 11.7989 13.8203 13.8808 14.8249 14.8657 16.9884 17.0746 k = 0.5000 0.1050 0.4639 ( 1186 PWs) bands (ev): -37.3212 -37.3212 -16.7096 -16.6696 -15.0617 -14.9923 -14.8993 -14.8810 2.3322 2.4181 8.2177 8.2516 8.8699 8.8838 10.0345 10.1140 11.8758 11.8956 13.8414 13.9008 14.7987 14.8397 17.0464 17.1335 k = 0.5000 0.1115 0.4546 ( 1188 PWs) bands (ev): -37.3216 -37.3216 -16.7080 -16.6687 -15.0610 -14.9935 -14.8941 -14.8770 2.3194 2.4038 8.2370 8.2726 8.8438 8.8579 9.9672 10.0431 11.9748 11.9954 13.8624 13.9208 14.7728 14.8138 17.1016 17.1893 k = 0.5000 0.1181 0.4454 ( 1188 PWs) bands (ev): -37.3220 -37.3220 -16.7064 -16.6677 -15.0602 -14.9948 -14.8887 -14.8729 2.3060 2.3888 8.2563 8.2937 8.8198 8.8343 9.9000 9.9723 12.0762 12.0977 13.8832 13.9408 14.7471 14.7882 17.1534 17.2414 k = 0.5000 0.1247 0.4361 ( 1188 PWs) bands (ev): -37.3224 -37.3224 -16.7047 -16.6668 -15.0593 -14.9960 -14.8833 -14.8687 2.2923 2.3733 8.2753 8.3144 8.7983 8.8132 9.8335 9.9019 12.1797 12.2021 13.9038 13.9608 14.7216 14.7628 17.2014 17.2893 k = 0.5000 0.1312 0.4268 ( 1186 PWs) bands (ev): -37.3228 -37.3228 -16.7030 -16.6659 -15.0583 -14.9973 -14.8778 -14.8645 2.2783 2.3573 8.2938 8.3344 8.7796 8.7950 9.7680 9.8325 12.2849 12.3083 13.9244 13.9809 14.6965 14.7378 17.2448 17.3326 k = 0.5000 0.1378 0.4175 ( 1182 PWs) bands (ev): -37.3232 -37.3232 -16.7013 -16.6651 -15.0573 -14.9986 -14.8722 -14.8601 2.2640 2.3409 8.3113 8.3533 8.7640 8.7798 9.7040 9.7645 12.3915 12.4159 13.9448 14.0010 14.6717 14.7131 17.2835 17.3708 k = 0.5000 0.1443 0.4082 ( 1176 PWs) bands (ev): -37.3236 -37.3236 -16.6995 -16.6643 -15.0563 -14.9998 -14.8667 -14.8558 2.2495 2.3242 8.3273 8.3705 8.7517 8.7681 9.6417 9.6983 12.4992 12.5246 13.9652 14.0211 14.6473 14.6888 17.3170 17.4037 k = 0.5000 0.1509 0.3990 ( 1180 PWs) bands (ev): -37.3241 -37.3241 -16.6977 -16.6635 -15.0552 -15.0011 -14.8611 -14.8514 2.2348 2.3073 8.3414 8.3854 8.7433 8.7601 9.5814 9.6341 12.6077 12.6341 13.9856 14.0413 14.6233 14.6650 17.3449 17.4308 k = 0.5000 0.1575 0.3897 ( 1184 PWs) bands (ev): -37.3245 -37.3245 -16.6959 -16.6628 -15.0540 -15.0023 -14.8557 -14.8470 2.2202 2.2901 8.3533 8.3976 8.7390 8.7561 9.5234 9.5722 12.7166 12.7440 14.0059 14.0615 14.5998 14.6416 17.3670 17.4521 k = 0.5000 0.1640 0.3804 ( 1182 PWs) bands (ev): -37.3249 -37.3249 -16.6941 -16.6622 -15.0528 -15.0036 -14.8502 -14.8427 2.2056 2.2730 8.3626 8.4066 8.7390 8.7561 9.4679 9.5129 12.8256 12.8541 14.0262 14.0817 14.5767 14.6188 17.3829 17.4559 k = 0.5000 0.1706 0.3711 ( 1182 PWs) bands (ev): -37.3253 -37.3253 -16.6923 -16.6616 -15.0516 -15.0048 -14.8449 -14.8383 2.1912 2.2558 8.3692 8.4123 8.7432 8.7601 9.4150 9.4563 12.9343 12.9640 14.0465 14.1020 14.5542 14.5965 17.3914 17.4320 k = 0.5000 0.1771 0.3619 ( 1182 PWs) bands (ev): -37.3257 -37.3257 -16.6905 -16.6611 -15.0503 -15.0061 -14.8397 -14.8341 2.1770 2.2388 8.3731 8.4148 8.7514 8.7678 9.3650 9.4027 13.0424 13.0733 14.0668 14.1224 14.5324 14.5748 17.3884 17.4136 k = 0.5000 0.1837 0.3526 ( 1186 PWs) bands (ev): -37.3262 -37.3262 -16.6887 -16.6607 -15.0490 -15.0073 -14.8347 -14.8299 2.1631 2.2219 8.3746 8.4144 8.7628 8.7788 9.3179 9.3521 13.1495 13.1816 14.0870 14.1426 14.5112 14.5539 17.3708 17.4030 k = 0.5000 0.1903 0.3433 ( 1184 PWs) bands (ev): -37.3265 -37.3265 -16.6870 -16.6604 -15.0477 -15.0086 -14.8298 -14.8258 2.1497 2.2054 8.3739 8.4116 8.7770 8.7925 9.2738 9.3047 13.2552 13.2885 14.1071 14.1628 14.4907 14.5337 17.3481 17.3894 k = 0.5000 0.1968 0.3340 ( 1186 PWs) bands (ev): -37.3269 -37.3269 -16.6852 -16.6601 -15.0464 -15.0098 -14.8251 -14.8218 2.1367 2.1892 8.3715 8.4070 8.7931 8.8082 9.2329 9.2607 13.3588 13.3936 14.1270 14.1829 14.4711 14.5143 17.3249 17.3692 k = 0.5000 0.2034 0.3247 ( 1184 PWs) bands (ev): -37.3273 -37.3273 -16.6835 -16.6599 -15.0451 -15.0111 -14.8207 -14.8180 2.1244 2.1736 8.3678 8.4009 8.8106 8.8252 9.1952 9.2199 13.4600 13.4962 14.1466 14.2027 14.4524 14.4959 17.3022 17.3459 k = 0.5000 0.2099 0.3155 ( 1188 PWs) bands (ev): -37.3276 -37.3276 -16.6818 -16.6598 -15.0437 -15.0123 -14.8164 -14.8143 2.1127 2.1585 8.3631 8.3939 8.8289 8.8429 9.1606 9.1825 13.5582 13.5959 14.1659 14.2221 14.4347 14.4786 17.2802 17.3219 k = 0.5000 0.2165 0.3062 ( 1188 PWs) bands (ev): -37.3280 -37.3280 -16.6802 -16.6598 -15.0424 -15.0135 -14.8125 -14.8108 2.1018 2.1441 8.3578 8.3863 8.8474 8.8608 9.1293 9.1485 13.6526 13.6919 14.1846 14.2411 14.4182 14.4624 17.2595 17.2984 k = 0.5000 0.2231 0.2969 ( 1188 PWs) bands (ev): -37.3282 -37.3282 -16.6786 -16.6599 -15.0410 -15.0148 -14.8088 -14.8076 2.0917 2.1305 8.3522 8.3784 8.8657 8.8784 9.1011 9.1179 13.7426 13.7836 14.2027 14.2594 14.4029 14.4474 17.2400 17.2758 k = 0.5000 0.2296 0.2876 ( 1182 PWs) bands (ev): -37.3285 -37.3285 -16.6770 -16.6601 -15.0396 -15.0160 -14.8055 -14.8045 2.0826 2.1177 8.3465 8.3703 8.8835 8.8953 9.0760 9.0905 13.8273 13.8702 14.2201 14.2771 14.3890 14.4338 17.2219 17.2544 k = 0.5000 0.2362 0.2784 ( 1184 PWs) bands (ev): -37.3287 -37.3287 -16.6755 -16.6603 -15.0383 -15.0173 -14.8024 -14.8017 2.0744 2.1058 8.3410 8.3624 8.9002 8.9111 9.0540 9.0664 13.9058 13.9508 14.2365 14.2938 14.3767 14.4216 17.2055 17.2342 k = 0.5000 0.2427 0.2691 ( 1184 PWs) bands (ev): -37.3289 -37.3289 -16.6740 -16.6607 -15.0369 -15.0186 -14.7997 -14.7992 2.0673 2.0949 8.3359 8.3548 8.9157 8.9255 9.0351 9.0455 13.9772 14.0242 14.2519 14.3095 14.3664 14.4110 17.1907 17.2153 k = 0.5000 0.2493 0.2598 ( 1182 PWs) bands (ev): -37.3291 -37.3291 -16.6726 -16.6611 -15.0356 -15.0198 -14.7973 -14.7970 2.0613 2.0850 8.3313 8.3476 8.9297 8.9382 9.0191 9.0276 14.0404 14.0892 14.2665 14.3239 14.3584 14.4018 17.1778 17.1978 k = 0.5000 0.2559 0.2505 ( 1182 PWs) bands (ev): -37.3293 -37.3293 -16.6713 -16.6616 -15.0342 -15.0211 -14.7953 -14.7951 2.0564 2.0763 8.3274 8.3411 8.9418 8.9488 9.0062 9.0129 14.0945 14.1439 14.2808 14.3369 14.3533 14.3939 17.1667 17.1815 k = 0.5000 0.2624 0.2412 ( 1182 PWs) bands (ev): -37.3294 -37.3294 -16.6700 -16.6622 -15.0329 -15.0224 -14.7936 -14.7935 2.0527 2.0687 8.3242 8.3353 8.9518 8.9570 8.9965 9.0012 14.1388 14.1860 14.2957 14.3482 14.3515 14.3873 17.1575 17.1668 k = 0.5000 0.2690 0.2320 ( 1182 PWs) bands (ev): -37.3295 -37.3295 -16.6687 -16.6629 -15.0315 -15.0237 -14.7923 -14.7923 2.0503 2.0623 8.3220 8.3303 8.9591 8.9623 8.9901 8.9929 14.1730 14.2134 14.3125 14.3530 14.3574 14.3814 17.1499 17.1549 k = 0.5000 0.2756 0.2227 ( 1182 PWs) bands (ev): -37.3296 -37.3296 -16.6676 -16.6637 -15.0302 -15.0249 -14.7914 -14.7914 2.0491 2.0571 8.3207 8.3263 8.9634 8.9646 8.9871 8.9882 14.1980 14.2267 14.3303 14.3567 14.3640 14.3757 17.1435 17.1470 k = 0.5000 0.2821 0.2134 ( 1182 PWs) bands (ev): -37.3296 -37.3296 -16.6665 -16.6646 -15.0289 -15.0262 -14.7908 -14.7908 2.0492 2.0532 8.3205 8.3233 8.9648 8.9650 8.9862 8.9867 14.2151 14.2298 14.3460 14.3602 14.3674 14.3702 17.1395 17.1419 k = 0.5000 0.2887 0.2041 ( 1170 PWs) bands (ev): -37.3295 -37.3295 -16.6655 -16.6655 -15.0276 -15.0276 -14.7906 -14.7906 2.0505 2.0505 8.3214 8.3214 8.9650 8.9650 8.9863 8.9863 14.2255 14.2255 14.3572 14.3572 14.3679 14.3679 17.1391 17.1391 k = 0.5000 0.2887 0.2041 ( 1170 PWs) bands (ev): -37.3295 -37.3295 -16.6655 -16.6655 -15.0276 -15.0276 -14.7906 -14.7906 2.0505 2.0505 8.3214 8.3214 8.9650 8.9650 8.9863 8.9863 14.2255 14.2255 14.3572 14.3572 14.3679 14.3679 17.1391 17.1391 k = 0.4967 0.2868 0.2149 ( 1178 PWs) bands (ev): -37.3296 -37.3296 -16.6665 -16.6646 -15.0289 -15.0262 -14.7908 -14.7908 2.0492 2.0532 8.3205 8.3233 8.9649 8.9650 8.9862 8.9866 14.2151 14.2298 14.3460 14.3601 14.3678 14.3699 17.1395 17.1420 k = 0.4934 0.2849 0.2256 ( 1178 PWs) bands (ev): -37.3295 -37.3295 -16.6676 -16.6637 -15.0302 -15.0249 -14.7914 -14.7914 2.0491 2.0571 8.3207 8.3263 8.9636 8.9643 8.9875 8.9879 14.1979 14.2267 14.3306 14.3545 14.3669 14.3748 17.1438 17.1467 k = 0.4901 0.2830 0.2364 ( 1178 PWs) bands (ev): -37.3295 -37.3295 -16.6688 -16.6629 -15.0315 -15.0236 -14.7923 -14.7923 2.0503 2.0623 8.3220 8.3304 8.9597 8.9616 8.9914 8.9917 14.1729 14.2130 14.3139 14.3449 14.3658 14.3796 17.1518 17.1528 k = 0.4868 0.2811 0.2471 ( 1180 PWs) bands (ev): -37.3294 -37.3294 -16.6700 -16.6622 -15.0329 -15.0224 -14.7936 -14.7936 2.0528 2.0687 8.3242 8.3353 8.9529 8.9561 8.9983 8.9993 14.1387 14.1852 14.2988 14.3330 14.3660 14.3849 17.1604 17.1629 k = 0.4836 0.2792 0.2578 ( 1180 PWs) bands (ev): -37.3292 -37.3292 -16.6713 -16.6616 -15.0342 -15.0211 -14.7953 -14.7952 2.0565 2.0764 8.3274 8.3411 8.9435 8.9481 9.0083 9.0101 14.0946 14.1428 14.2854 14.3193 14.3686 14.3912 17.1699 17.1762 k = 0.4803 0.2773 0.2686 ( 1180 PWs) bands (ev): -37.3291 -37.3291 -16.6726 -16.6611 -15.0356 -15.0198 -14.7973 -14.7971 2.0614 2.0852 8.3312 8.3475 8.9323 8.9382 9.0211 9.0235 14.0408 14.0879 14.2718 14.3044 14.3741 14.3991 17.1811 17.1912 k = 0.4770 0.2754 0.2793 ( 1182 PWs) bands (ev): -37.3289 -37.3289 -16.6740 -16.6607 -15.0369 -15.0185 -14.7997 -14.7993 2.0674 2.0951 8.3357 8.3543 8.9197 8.9270 9.0365 9.0396 13.9780 14.0231 14.2568 14.2882 14.3826 14.4088 17.1939 17.2074 k = 0.4737 0.2735 0.2901 ( 1182 PWs) bands (ev): -37.3287 -37.3287 -16.6755 -16.6603 -15.0383 -15.0173 -14.8024 -14.8019 2.0746 2.1060 8.3404 8.3612 8.9064 8.9151 9.0545 9.0581 13.9072 13.9499 14.2398 14.2707 14.3939 14.4206 17.2083 17.2246 k = 0.4704 0.2716 0.3008 ( 1187 PWs) bands (ev): -37.3285 -37.3285 -16.6770 -16.6601 -15.0397 -15.0160 -14.8055 -14.8047 2.0828 2.1180 8.3451 8.3678 8.8929 8.9033 9.0747 9.0789 13.8293 13.8698 14.2210 14.2520 14.4076 14.4342 17.2237 17.2426 k = 0.4671 0.2697 0.3116 ( 1187 PWs) bands (ev): -37.3282 -37.3282 -16.6786 -16.6599 -15.0411 -15.0148 -14.8088 -14.8077 2.0920 2.1308 8.3493 8.3736 8.8799 8.8923 9.0973 9.1021 13.7454 13.7837 14.2006 14.2322 14.4234 14.4497 17.2401 17.2612 k = 0.4638 0.2678 0.3223 ( 1185 PWs) bands (ev): -37.3279 -37.3279 -16.6802 -16.6598 -15.0424 -15.0135 -14.8125 -14.8110 2.1021 2.1445 8.3524 8.3779 8.8682 8.8829 9.1220 9.1274 13.6563 13.6928 14.1790 14.2115 14.4410 14.4669 17.2570 17.2801 k = 0.4605 0.2659 0.3330 ( 1185 PWs) bands (ev): -37.3276 -37.3276 -16.6819 -16.6598 -15.0438 -15.0123 -14.8164 -14.8145 2.1131 2.1589 8.3539 8.3800 8.8588 8.8763 9.1489 9.1548 13.5629 13.5976 14.1564 14.1899 14.4603 14.4857 17.2741 17.2988 k = 0.4572 0.2640 0.3438 ( 1181 PWs) bands (ev): -37.3272 -37.3272 -16.6836 -16.6599 -15.0452 -15.0110 -14.8206 -14.8182 2.1248 2.1740 8.3530 8.3792 8.8527 8.8734 9.1777 9.1842 13.4660 13.4990 14.1331 14.1678 14.4811 14.5059 17.2912 17.3171 k = 0.4539 0.2621 0.3545 ( 1181 PWs) bands (ev): -37.3269 -37.3269 -16.6853 -16.6601 -15.0465 -15.0098 -14.8250 -14.8221 2.1372 2.1896 8.3491 8.3749 8.8506 8.8751 9.2084 9.2155 13.3661 13.3977 14.1094 14.1453 14.5031 14.5274 17.3078 17.3346 k = 0.4507 0.2602 0.3653 ( 1183 PWs) bands (ev): -37.3265 -37.3265 -16.6870 -16.6604 -15.0479 -15.0086 -14.8296 -14.8260 2.1501 2.2058 8.3417 8.3665 8.8536 8.8821 9.2410 9.2486 13.2639 13.2941 14.0855 14.1228 14.5262 14.5500 17.3236 17.3509 k = 0.4474 0.2583 0.3760 ( 1185 PWs) bands (ev): -37.3262 -37.3262 -16.6888 -16.6608 -15.0493 -15.0074 -14.8344 -14.8301 2.1636 2.2222 8.3303 8.3539 8.8620 8.8949 9.2751 9.2833 13.1600 13.1888 14.0618 14.1004 14.5503 14.5735 17.3383 17.3655 k = 0.4441 0.2564 0.3868 ( 1183 PWs) bands (ev): -37.3257 -37.3257 -16.6906 -16.6612 -15.0506 -15.0062 -14.8393 -14.8343 2.1774 2.2390 8.3151 8.3372 8.8762 8.9137 9.3109 9.3197 13.0547 13.0824 14.0385 14.0783 14.5752 14.5977 17.3517 17.3781 k = 0.4408 0.2545 0.3975 ( 1181 PWs) bands (ev): -37.3253 -37.3253 -16.6924 -16.6617 -15.0520 -15.0050 -14.8444 -14.8385 2.1916 2.2558 8.2962 8.3168 8.8962 8.9382 9.3480 9.3574 12.9485 12.9751 14.0159 14.0570 14.6007 14.6224 17.3632 17.3880 k = 0.4375 0.2526 0.4082 ( 1179 PWs) bands (ev): -37.3249 -37.3249 -16.6941 -16.6623 -15.0533 -15.0038 -14.8495 -14.8427 2.2059 2.2728 8.2741 8.2932 8.9217 8.9682 9.3863 9.3964 12.8419 12.8676 13.9941 14.0364 14.6265 14.6474 17.3728 17.3946 k = 0.4342 0.2507 0.4190 ( 1182 PWs) bands (ev): -37.3245 -37.3245 -16.6959 -16.6630 -15.0547 -15.0027 -14.8548 -14.8469 2.2204 2.2897 8.2492 8.2669 8.9526 9.0033 9.4258 9.4364 12.7352 12.7600 13.9734 14.0170 14.6525 14.6725 17.3800 17.3974 k = 0.4309 0.2488 0.4297 ( 1178 PWs) bands (ev): -37.3240 -37.3240 -16.6977 -16.6638 -15.0560 -15.0016 -14.8600 -14.8511 2.2348 2.3064 8.2220 8.2385 8.9883 9.0432 9.4661 9.4774 12.6288 12.6529 13.9541 13.9989 14.6785 14.6975 17.3846 17.3956 k = 0.4276 0.2469 0.4405 ( 1176 PWs) bands (ev): -37.3236 -37.3236 -16.6994 -16.6646 -15.0573 -15.0005 -14.8652 -14.8552 2.2492 2.3229 8.1930 8.2084 9.0286 9.0875 9.5072 9.5192 12.5229 12.5464 13.9364 13.9824 14.7041 14.7220 17.3864 17.3889 k = 0.4243 0.2450 0.4512 ( 1178 PWs) bands (ev): -37.3232 -37.3232 -16.7011 -16.6654 -15.0586 -14.9995 -14.8704 -14.8593 2.2635 2.3390 8.1627 8.1771 9.0731 9.1359 9.5488 9.5615 12.4180 12.4410 13.9205 13.9676 14.7290 14.7457 17.3771 17.3851 k = 0.4211 0.2431 0.4620 ( 1178 PWs) bands (ev): -37.3228 -37.3228 -16.7028 -16.6664 -15.0598 -14.9986 -14.8754 -14.8632 2.2774 2.3547 8.1315 8.1448 9.1214 9.1880 9.5908 9.6042 12.3143 12.3370 13.9066 13.9549 14.7531 14.7684 17.3603 17.3805 k = 0.4178 0.2412 0.4727 ( 1180 PWs) bands (ev): -37.3224 -37.3224 -16.7045 -16.6673 -15.0611 -14.9978 -14.8804 -14.8669 2.2911 2.3699 8.0995 8.1120 9.1733 9.2436 9.6329 9.6470 12.2122 12.2347 13.8950 13.9443 14.7759 14.7896 17.3392 17.3723 k = 0.4145 0.2393 0.4835 ( 1180 PWs) bands (ev): -37.3220 -37.3220 -16.7061 -16.6683 -15.0623 -14.9971 -14.8851 -14.8705 2.3043 2.3845 8.0672 8.0789 9.2285 9.3025 9.6750 9.6898 12.1119 12.1344 13.8859 13.9362 14.7971 14.8092 17.3145 17.3604 k = 0.4112 0.2374 0.4942 ( 1178 PWs) bands (ev): -37.3216 -37.3216 -16.7076 -16.6693 -15.0635 -14.9965 -14.8896 -14.8739 2.3170 2.3983 8.0347 8.0457 9.2866 9.3643 9.7167 9.7322 12.0138 12.0365 13.8793 13.9307 14.8164 14.8266 17.2868 17.3445 k = 0.4079 0.2355 0.5049 ( 1176 PWs) bands (ev): -37.3212 -37.3212 -16.7091 -16.6704 -15.0646 -14.9960 -14.8938 -14.8771 2.3292 2.4115 8.0021 8.0124 9.3473 9.4287 9.7579 9.7742 11.9183 11.9413 13.8757 13.9280 14.8334 14.8416 17.2570 17.3246 k = 0.4046 0.2336 0.5157 ( 1174 PWs) bands (ev): -37.3208 -37.3208 -16.7104 -16.6715 -15.0657 -14.9958 -14.8977 -14.8801 2.3407 2.4238 7.9698 7.9794 9.4101 9.4954 9.7983 9.8155 11.8257 11.8493 13.8751 13.9283 14.8476 14.8537 17.2259 17.3007 k = 0.4013 0.2317 0.5264 ( 1176 PWs) bands (ev): -37.3204 -37.3204 -16.7117 -16.6725 -15.0667 -14.9957 -14.9013 -14.8828 2.3515 2.4352 7.9376 7.9467 9.4746 9.5639 9.8377 9.8559 11.7365 11.7608 13.8776 13.9317 14.8588 14.8626 17.1941 17.2735 k = 0.3980 0.2298 0.5372 ( 1178 PWs) bands (ev): -37.3201 -37.3201 -16.7129 -16.6736 -15.0677 -14.9959 -14.9044 -14.8853 2.3616 2.4456 7.9058 7.9143 9.5403 9.6337 9.8759 9.8951 11.6512 11.6765 13.8835 13.9384 14.8664 14.8678 17.1626 17.2438 k = 0.3947 0.2279 0.5479 ( 1178 PWs) bands (ev): -37.3198 -37.3198 -16.7140 -16.6746 -15.0685 -14.9963 -14.9070 -14.8876 2.3709 2.4551 7.8744 7.8824 9.6064 9.7042 9.9126 9.9330 11.5704 11.5968 13.8929 13.9485 14.8692 14.8703 17.1320 17.2125 k = 0.3914 0.2260 0.5587 ( 1178 PWs) bands (ev): -37.3196 -37.3196 -16.7150 -16.6756 -15.0693 -14.9969 -14.9092 -14.8895 2.3794 2.4636 7.8435 7.8510 9.6721 9.7745 9.9475 9.9693 11.4948 11.5226 13.9058 13.9622 14.8664 14.8701 17.1029 17.1797 k = 0.3882 0.2241 0.5694 ( 1176 PWs) bands (ev): -37.3193 -37.3193 -16.7159 -16.6766 -15.0700 -14.9978 -14.9109 -14.8912 2.3870 2.4710 7.8130 7.8201 9.7365 9.8437 9.9806 10.0041 11.4252 11.4545 13.9224 13.9794 14.8593 14.8657 17.0761 17.1452 k = 0.3849 0.2222 0.5801 ( 1178 PWs) bands (ev): -37.3191 -37.3191 -16.7166 -16.6775 -15.0706 -14.9989 -14.9120 -14.8926 2.3937 2.4773 7.7831 7.7898 9.7982 9.9105 10.0116 10.0370 11.3629 11.3936 13.9426 14.0001 14.8479 14.8570 17.0518 17.1084 k = 0.3816 0.2203 0.5909 ( 1178 PWs) bands (ev): -37.3189 -37.3189 -16.7172 -16.6784 -15.0711 -15.0001 -14.9128 -14.8938 2.3994 2.4825 7.7537 7.7600 9.8560 9.9734 10.0403 10.0679 11.3090 11.3411 13.9666 14.0246 14.8322 14.8440 17.0299 17.0689 k = 0.3783 0.2184 0.6016 ( 1172 PWs) bands (ev): -37.3187 -37.3187 -16.7176 -16.6792 -15.0714 -15.0015 -14.9130 -14.8947 2.4042 2.4865 7.7249 7.7309 9.9083 10.0305 10.0666 10.0968 11.2652 11.2981 13.9942 14.0525 14.8126 14.8271 17.0099 17.0269 k = 0.3750 0.2165 0.6124 ( 1172 PWs) bands (ev): -37.3186 -37.3186 -16.7179 -16.6799 -15.0715 -15.0030 -14.9129 -14.8953 2.4080 2.4894 7.6966 7.7023 9.9536 10.0791 10.0912 10.1232 11.2330 11.2660 14.0253 14.0839 14.7895 14.8066 16.9828 16.9895 k = 0.6250-0.0722 0.4082 ( 1172 PWs) bands (ev): -37.3186 -37.3186 -16.7179 -16.6799 -15.0715 -15.0030 -14.9129 -14.8953 2.4080 2.4894 7.6966 7.7023 9.9536 10.0791 10.0912 10.1232 11.2330 11.2660 14.0253 14.0839 14.7895 14.8066 16.9828 16.9895 k = 0.6193-0.0820 0.4082 ( 1172 PWs) bands (ev): -37.3184 -37.3184 -16.7182 -16.6811 -15.0716 -15.0057 -14.9121 -14.8960 2.4134 2.4929 7.6484 7.6536 10.0224 10.1271 10.1570 10.1670 11.1926 11.2245 14.0819 14.1408 14.7485 14.7701 16.9049 16.9397 k = 0.6136-0.0919 0.4082 ( 1174 PWs) bands (ev): -37.3183 -37.3183 -16.7183 -16.6823 -15.0716 -15.0085 -14.9110 -14.8964 2.4182 2.4956 7.6007 7.6056 10.0853 10.1649 10.2121 10.2271 11.1608 11.1906 14.1384 14.1975 14.7111 14.7372 16.8270 16.8735 k = 0.6080-0.1017 0.4082 ( 1178 PWs) bands (ev): -37.3182 -37.3182 -16.7184 -16.6834 -15.0715 -15.0114 -14.9098 -14.8967 2.4224 2.4977 7.5537 7.5582 10.1418 10.2019 10.2583 10.2912 11.1377 11.1644 14.1946 14.2538 14.6781 14.7086 16.7496 16.8012 k = 0.6023-0.1115 0.4082 ( 1182 PWs) bands (ev): -37.3181 -37.3181 -16.7184 -16.6846 -15.0713 -15.0144 -14.9083 -14.8968 2.4263 2.4990 7.5077 7.5119 10.1920 10.2381 10.3044 10.3483 11.1234 11.1458 14.2503 14.3095 14.6503 14.6850 16.6730 16.7273 k = 0.5966-0.1214 0.4082 ( 1180 PWs) bands (ev): -37.3180 -37.3180 -16.7182 -16.6857 -15.0711 -15.0174 -14.9067 -14.8966 2.4297 2.4997 7.4628 7.4667 10.2370 10.2733 10.3491 10.3978 11.1179 11.1344 14.3055 14.3644 14.6287 14.6673 16.5975 16.6532 k = 0.5909-0.1312 0.4082 ( 1176 PWs) bands (ev): -37.3179 -37.3179 -16.7180 -16.6869 -15.0708 -15.0204 -14.9050 -14.8963 2.4327 2.4998 7.4192 7.4230 10.2779 10.3074 10.3908 10.4397 11.1204 11.1298 14.3602 14.4181 14.6140 14.6559 16.5231 16.5796 k = 0.5852-0.1411 0.4082 ( 1168 PWs) bands (ev): -37.3177 -37.3177 -16.7176 -16.6880 -15.0705 -15.0234 -14.9032 -14.8959 2.4354 2.4994 7.3772 7.3808 10.3154 10.3402 10.4288 10.4743 11.1298 11.1312 14.4140 14.4698 14.6076 14.6515 16.4500 16.5070 k = 0.5795-0.1509 0.4082 ( 1168 PWs) bands (ev): -37.3177 -37.3177 -16.7172 -16.6892 -15.0702 -15.0264 -14.9013 -14.8953 2.4378 2.4985 7.3370 7.3404 10.3500 10.3715 10.4626 10.5026 11.1375 11.1445 14.4668 14.5178 14.6115 14.6545 16.3783 16.4355 k = 0.5739-0.1607 0.4082 ( 1176 PWs) bands (ev): -37.3177 -37.3177 -16.7167 -16.6904 -15.0697 -15.0293 -14.8995 -14.8946 2.4400 2.4972 7.2987 7.3019 10.3821 10.4011 10.4925 10.5259 11.1477 11.1627 14.5185 14.5587 14.6294 14.6654 16.3083 16.3653 k = 0.5682-0.1706 0.4082 ( 1176 PWs) bands (ev): -37.3177 -37.3177 -16.7162 -16.6915 -15.0693 -15.0321 -14.8977 -14.8938 2.4420 2.4955 7.2626 7.2656 10.4118 10.4286 10.5187 10.5455 11.1605 11.1826 14.5688 14.5910 14.6629 14.6844 16.2402 16.2967 k = 0.5625-0.1804 0.4082 ( 1176 PWs) bands (ev): -37.3177 -37.3177 -16.7156 -16.6927 -15.0688 -15.0349 -14.8960 -14.8929 2.4439 2.4935 7.2288 7.2316 10.4391 10.4540 10.5420 10.5625 11.1747 11.2025 14.6177 14.6209 14.7057 14.7116 16.1742 16.2299 k = 0.5568-0.1903 0.4082 ( 1176 PWs) bands (ev): -37.3177 -37.3177 -16.7149 -16.6939 -15.0682 -15.0376 -14.8944 -14.8920 2.4456 2.4912 7.1974 7.2000 10.4640 10.4770 10.5629 10.5780 11.1893 11.2213 14.6545 14.6656 14.7462 14.7516 16.1105 16.1651 k = 0.5511-0.2001 0.4082 ( 1180 PWs) bands (ev): -37.3177 -37.3177 -16.7141 -16.6950 -15.0676 -15.0402 -14.8928 -14.8911 2.4473 2.4888 7.1686 7.1710 10.4865 10.4974 10.5818 10.5926 11.2034 11.2380 14.6940 14.7130 14.7873 14.7976 16.0496 16.1024 k = 0.5455-0.2099 0.4082 ( 1178 PWs) bands (ev): -37.3177 -37.3177 -16.7133 -16.6962 -15.0669 -15.0426 -14.8914 -14.8901 2.4489 2.4862 7.1425 7.1447 10.5066 10.5154 10.5989 10.6065 11.2166 11.2521 14.7397 14.7605 14.8334 14.8428 15.9918 16.0423 k = 0.5398-0.2198 0.4082 ( 1178 PWs) bands (ev): -37.3176 -37.3176 -16.7125 -16.6974 -15.0662 -15.0450 -14.8901 -14.8893 2.4506 2.4834 7.1192 7.1212 10.5242 10.5309 10.6145 10.6197 11.2285 11.2633 14.7912 14.8078 14.8838 14.8863 15.9377 15.9849 k = 0.5341-0.2296 0.4082 ( 1178 PWs) bands (ev): -37.3176 -37.3176 -16.7116 -16.6986 -15.0653 -15.0473 -14.8890 -14.8884 2.4523 2.4806 7.0989 7.1006 10.5394 10.5441 10.6284 10.6321 11.2390 11.2717 14.8471 14.8539 14.9278 14.9379 15.8880 15.9308 k = 0.5284-0.2395 0.4082 ( 1178 PWs) bands (ev): -37.3176 -37.3176 -16.7107 -16.6998 -15.0644 -15.0494 -14.8880 -14.8877 2.4541 2.4778 7.0816 7.0830 10.5522 10.5553 10.6406 10.6433 11.2480 11.2774 14.8973 14.9051 14.9676 14.9950 15.8438 15.8805 k = 0.5227-0.2493 0.4082 ( 1170 PWs) bands (ev): -37.3176 -37.3176 -16.7097 -16.7009 -15.0634 -15.0514 -14.8872 -14.8870 2.4560 2.4751 7.0674 7.0686 10.5627 10.5644 10.6509 10.6529 11.2558 11.2807 14.9367 14.9589 15.0090 15.0530 15.8061 15.8345 k = 0.5170-0.2592 0.4082 ( 1170 PWs) bands (ev): -37.3176 -37.3176 -16.7087 -16.7021 -15.0623 -15.0533 -14.8866 -14.8865 2.4579 2.4723 7.0563 7.0572 10.5707 10.5716 10.6592 10.6606 11.2624 11.2819 14.9709 14.9978 15.0584 15.1082 15.7765 15.7936 k = 0.5114-0.2690 0.4082 ( 1170 PWs) bands (ev): -37.3176 -37.3176 -16.7076 -16.7032 -15.0611 -15.0551 -14.8861 -14.8861 2.4600 2.4696 7.0484 7.0490 10.5765 10.5768 10.6654 10.6663 11.2681 11.2815 14.9988 15.0204 15.1116 15.1540 15.7565 15.7596 k = 0.5057-0.2788 0.4082 ( 1162 PWs) bands (ev): -37.3175 -37.3175 -16.7066 -16.7043 -15.0598 -15.0568 -14.8859 -14.8859 2.4623 2.4671 7.0437 7.0440 10.5799 10.5800 10.6692 10.6696 11.2728 11.2797 15.0190 15.0307 15.1568 15.1817 15.7390 15.7475 k = 0.5000-0.2887 0.4082 ( 1162 PWs) bands (ev): -37.3175 -37.3175 -16.7055 -16.7055 -15.0583 -15.0583 -14.8858 -14.8858 2.4646 2.4646 7.0422 7.0422 10.5810 10.5810 10.6706 10.6706 11.2767 11.2767 15.0299 15.0299 15.1828 15.1828 15.7415 15.7415 Writing output data file ZrC.save init_run : 2.68s CPU 13.06s WALL ( 1 calls) electrons : 125.36s CPU 129.44s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.18s CPU 1.38s WALL ( 1 calls) Called by electrons: c_bands : 125.22s CPU 128.98s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.78s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.43s WALL ( 1 calls) newd : 0.39s CPU 0.42s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.03s WALL ( 409 calls) cegterg : 114.12s CPU 115.20s WALL ( 768 calls) Called by sum_band: Called by *egterg: h_psi : 53.95s CPU 59.31s WALL ( 12830 calls) s_psi : 2.81s CPU 3.93s WALL ( 12830 calls) g_psi : 0.03s CPU 0.10s WALL ( 11653 calls) cdiaghg : 40.81s CPU 38.58s WALL ( 12062 calls) cegterg:over : 9.43s CPU 7.60s WALL ( 11653 calls) cegterg:upda : 0.19s CPU 0.93s WALL ( 11653 calls) cegterg:last : 0.19s CPU 0.72s WALL ( 1995 calls) Called by h_psi: h_psi:vloc : 46.34s CPU 51.77s WALL ( 12830 calls) h_psi:vnl : 7.59s CPU 7.43s WALL ( 12830 calls) add_vuspsi : 1.01s CPU 2.41s WALL ( 12830 calls) General routines calbec : 6.55s CPU 4.85s WALL ( 12830 calls) fft : 0.22s CPU 1.15s WALL ( 19 calls) ffts : 0.03s CPU 0.10s WALL ( 4 calls) fftw : 44.68s CPU 49.58s WALL ( 593208 calls) interpolate : 0.04s CPU 0.13s WALL ( 4 calls) davcio : 0.02s CPU 0.76s WALL ( 818 calls) Parallel routines fft_scatter : 33.41s CPU 34.09s WALL ( 593231 calls) PWSCF : 2m34.99s CPU 3m26.62s WALL This run was terminated on: 7:42:39 27Aug2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=