Program PWSCF v.5.1.1 starts on 25Aug2015 at 22:15:31 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: ./InN.save/ file In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 19 10 3 409 159 28 Max 20 11 4 416 173 32 Sum 955 517 163 19891 7991 1411 bravais-lattice index = 14 lattice parameter (alat) = 6.6277 a.u. unit-cell volume = 205.8645 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 18.00 number of Kohn-Sham states= 26 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.627741 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 In read from file: /home/autes/Pseudo/In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 52ff8a85f9af3f41268f91f861ab85bf Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1241 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for N read from file: /home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential In 13.00 114.81800 In( 1.00) N 5.00 14.00670 N( 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= 421 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023753 k( 2) = ( 0.0078125 -0.0045105 0.0063789), wk = 0.0023753 k( 3) = ( 0.0156250 -0.0090211 0.0127578), wk = 0.0023753 k( 4) = ( 0.0234375 -0.0135316 0.0191366), wk = 0.0023753 k( 5) = ( 0.0312500 -0.0180422 0.0255155), wk = 0.0023753 k( 6) = ( 0.0390625 -0.0225527 0.0318944), wk = 0.0023753 k( 7) = ( 0.0468750 -0.0270633 0.0382733), wk = 0.0023753 k( 8) = ( 0.0546875 -0.0315738 0.0446522), wk = 0.0023753 k( 9) = ( 0.0625000 -0.0360844 0.0510310), wk = 0.0023753 k( 10) = ( 0.0703125 -0.0405949 0.0574099), wk = 0.0023753 k( 11) = ( 0.0781250 -0.0451055 0.0637888), wk = 0.0023753 k( 12) = ( 0.0859375 -0.0496160 0.0701677), wk = 0.0023753 k( 13) = ( 0.0937500 -0.0541266 0.0765466), wk = 0.0023753 k( 14) = ( 0.1015625 -0.0586371 0.0829254), wk = 0.0023753 k( 15) = ( 0.1093750 -0.0631477 0.0893043), wk = 0.0023753 k( 16) = ( 0.1171875 -0.0676582 0.0956832), wk = 0.0023753 k( 17) = ( 0.1250000 -0.0721688 0.1020621), wk = 0.0023753 k( 18) = ( 0.1328125 -0.0766793 0.1084410), wk = 0.0023753 k( 19) = ( 0.1406250 -0.0811899 0.1148198), wk = 0.0023753 k( 20) = ( 0.1484375 -0.0857004 0.1211987), wk = 0.0023753 k( 21) = ( 0.1562500 -0.0902110 0.1275776), wk = 0.0023753 k( 22) = ( 0.1640625 -0.0947215 0.1339565), wk = 0.0023753 k( 23) = ( 0.1718750 -0.0992321 0.1403353), wk = 0.0023753 k( 24) = ( 0.1796875 -0.1037426 0.1467142), wk = 0.0023753 k( 25) = ( 0.1875000 -0.1082532 0.1530931), wk = 0.0023753 k( 26) = ( 0.1953125 -0.1127637 0.1594720), wk = 0.0023753 k( 27) = ( 0.2031250 -0.1172743 0.1658509), wk = 0.0023753 k( 28) = ( 0.2109375 -0.1217848 0.1722297), wk = 0.0023753 k( 29) = ( 0.2187500 -0.1262954 0.1786086), wk = 0.0023753 k( 30) = ( 0.2265625 -0.1308059 0.1849875), wk = 0.0023753 k( 31) = ( 0.2343750 -0.1353165 0.1913664), wk = 0.0023753 k( 32) = ( 0.2421875 -0.1398270 0.1977453), wk = 0.0023753 k( 33) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0023753 k( 34) = ( 0.2578125 -0.1488481 0.2105030), wk = 0.0023753 k( 35) = ( 0.2656250 -0.1533587 0.2168819), wk = 0.0023753 k( 36) = ( 0.2734375 -0.1578692 0.2232608), wk = 0.0023753 k( 37) = ( 0.2812500 -0.1623798 0.2296397), wk = 0.0023753 k( 38) = ( 0.2890625 -0.1668903 0.2360185), wk = 0.0023753 k( 39) = ( 0.2968750 -0.1714009 0.2423974), wk = 0.0023753 k( 40) = ( 0.3046875 -0.1759114 0.2487763), wk = 0.0023753 k( 41) = ( 0.3125000 -0.1804220 0.2551552), wk = 0.0023753 k( 42) = ( 0.3203125 -0.1849325 0.2615341), wk = 0.0023753 k( 43) = ( 0.3281250 -0.1894431 0.2679129), wk = 0.0023753 k( 44) = ( 0.3359375 -0.1939536 0.2742918), wk = 0.0023753 k( 45) = ( 0.3437500 -0.1984642 0.2806707), wk = 0.0023753 k( 46) = ( 0.3515625 -0.2029747 0.2870496), wk = 0.0023753 k( 47) = ( 0.3593750 -0.2074853 0.2934285), wk = 0.0023753 k( 48) = ( 0.3671875 -0.2119958 0.2998073), wk = 0.0023753 k( 49) = ( 0.3750000 -0.2165064 0.3061862), wk = 0.0023753 k( 50) = ( 0.3828125 -0.2210169 0.3125651), wk = 0.0023753 k( 51) = ( 0.3906250 -0.2255274 0.3189440), wk = 0.0023753 k( 52) = ( 0.3984375 -0.2300380 0.3253229), wk = 0.0023753 k( 53) = ( 0.4062500 -0.2345485 0.3317017), wk = 0.0023753 k( 54) = ( 0.4140625 -0.2390591 0.3380806), wk = 0.0023753 k( 55) = ( 0.4218750 -0.2435696 0.3444595), wk = 0.0023753 k( 56) = ( 0.4296875 -0.2480802 0.3508384), wk = 0.0023753 k( 57) = ( 0.4375000 -0.2525907 0.3572173), wk = 0.0023753 k( 58) = ( 0.4453125 -0.2571013 0.3635961), wk = 0.0023753 k( 59) = ( 0.4531250 -0.2616118 0.3699750), wk = 0.0023753 k( 60) = ( 0.4609375 -0.2661224 0.3763539), wk = 0.0023753 k( 61) = ( 0.4687500 -0.2706329 0.3827328), wk = 0.0023753 k( 62) = ( 0.4765625 -0.2751435 0.3891117), wk = 0.0023753 k( 63) = ( 0.4843750 -0.2796540 0.3954905), wk = 0.0023753 k( 64) = ( 0.4921875 -0.2841646 0.4018694), wk = 0.0023753 k( 65) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0023753 k( 66) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0023753 k( 67) = ( 0.5000000 -0.2796540 0.4146272), wk = 0.0023753 k( 68) = ( 0.5000000 -0.2706329 0.4210060), wk = 0.0023753 k( 69) = ( 0.5000000 -0.2616118 0.4273849), wk = 0.0023753 k( 70) = ( 0.5000000 -0.2525907 0.4337638), wk = 0.0023753 k( 71) = ( 0.5000000 -0.2435696 0.4401427), wk = 0.0023753 k( 72) = ( 0.5000000 -0.2345485 0.4465216), wk = 0.0023753 k( 73) = ( 0.5000000 -0.2255274 0.4529004), wk = 0.0023753 k( 74) = ( 0.5000000 -0.2165064 0.4592793), wk = 0.0023753 k( 75) = ( 0.5000000 -0.2074853 0.4656582), wk = 0.0023753 k( 76) = ( 0.5000000 -0.1984642 0.4720371), wk = 0.0023753 k( 77) = ( 0.5000000 -0.1894431 0.4784160), wk = 0.0023753 k( 78) = ( 0.5000000 -0.1804220 0.4847948), wk = 0.0023753 k( 79) = ( 0.5000000 -0.1714009 0.4911737), wk = 0.0023753 k( 80) = ( 0.5000000 -0.1623798 0.4975526), wk = 0.0023753 k( 81) = ( 0.5000000 -0.1533587 0.5039315), wk = 0.0023753 k( 82) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0023753 k( 83) = ( 0.5000000 -0.1353165 0.5166892), wk = 0.0023753 k( 84) = ( 0.5000000 -0.1262954 0.5230681), wk = 0.0023753 k( 85) = ( 0.5000000 -0.1172743 0.5294470), wk = 0.0023753 k( 86) = ( 0.5000000 -0.1082532 0.5358259), wk = 0.0023753 k( 87) = ( 0.5000000 -0.0992321 0.5422048), wk = 0.0023753 k( 88) = ( 0.5000000 -0.0902110 0.5485836), wk = 0.0023753 k( 89) = ( 0.5000000 -0.0811899 0.5549625), wk = 0.0023753 k( 90) = ( 0.5000000 -0.0721688 0.5613414), wk = 0.0023753 k( 91) = ( 0.5000000 -0.0631477 0.5677203), wk = 0.0023753 k( 92) = ( 0.5000000 -0.0541266 0.5740992), wk = 0.0023753 k( 93) = ( 0.5000000 -0.0451055 0.5804780), wk = 0.0023753 k( 94) = ( 0.5000000 -0.0360844 0.5868569), wk = 0.0023753 k( 95) = ( 0.5000000 -0.0270633 0.5932358), wk = 0.0023753 k( 96) = ( 0.5000000 -0.0180422 0.5996147), wk = 0.0023753 k( 97) = ( 0.5000000 -0.0090211 0.6059936), wk = 0.0023753 k( 98) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0023753 k( 99) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0023753 k( 100) = ( 0.4945652 0.0094133 0.6123724), wk = 0.0023753 k( 101) = ( 0.4891304 0.0188266 0.6123724), wk = 0.0023753 k( 102) = ( 0.4836956 0.0282400 0.6123724), wk = 0.0023753 k( 103) = ( 0.4782609 0.0376533 0.6123724), wk = 0.0023753 k( 104) = ( 0.4728261 0.0470666 0.6123724), wk = 0.0023753 k( 105) = ( 0.4673913 0.0564799 0.6123724), wk = 0.0023753 k( 106) = ( 0.4619565 0.0658932 0.6123724), wk = 0.0023753 k( 107) = ( 0.4565217 0.0753066 0.6123724), wk = 0.0023753 k( 108) = ( 0.4510870 0.0847199 0.6123724), wk = 0.0023753 k( 109) = ( 0.4456522 0.0941332 0.6123724), wk = 0.0023753 k( 110) = ( 0.4402174 0.1035465 0.6123724), wk = 0.0023753 k( 111) = ( 0.4347826 0.1129598 0.6123724), wk = 0.0023753 k( 112) = ( 0.4293478 0.1223731 0.6123724), wk = 0.0023753 k( 113) = ( 0.4239130 0.1317865 0.6123724), wk = 0.0023753 k( 114) = ( 0.4184783 0.1411998 0.6123724), wk = 0.0023753 k( 115) = ( 0.4130435 0.1506131 0.6123724), wk = 0.0023753 k( 116) = ( 0.4076087 0.1600264 0.6123724), wk = 0.0023753 k( 117) = ( 0.4021739 0.1694398 0.6123724), wk = 0.0023753 k( 118) = ( 0.3967391 0.1788531 0.6123724), wk = 0.0023753 k( 119) = ( 0.3913044 0.1882664 0.6123724), wk = 0.0023753 k( 120) = ( 0.3858696 0.1976797 0.6123724), wk = 0.0023753 k( 121) = ( 0.3804348 0.2070930 0.6123724), wk = 0.0023753 k( 122) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0023753 k( 123) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0023753 k( 124) = ( 0.3694853 0.2133224 0.6033670), wk = 0.0023753 k( 125) = ( 0.3639706 0.2101385 0.5943615), wk = 0.0023753 k( 126) = ( 0.3584559 0.2069546 0.5853560), wk = 0.0023753 k( 127) = ( 0.3529412 0.2037707 0.5763505), wk = 0.0023753 k( 128) = ( 0.3474265 0.2005868 0.5673450), wk = 0.0023753 k( 129) = ( 0.3419118 0.1974028 0.5583396), wk = 0.0023753 k( 130) = ( 0.3363971 0.1942189 0.5493341), wk = 0.0023753 k( 131) = ( 0.3308823 0.1910350 0.5403286), wk = 0.0023753 k( 132) = ( 0.3253677 0.1878511 0.5313231), wk = 0.0023753 k( 133) = ( 0.3198529 0.1846672 0.5223177), wk = 0.0023753 k( 134) = ( 0.3143382 0.1814833 0.5133122), wk = 0.0023753 k( 135) = ( 0.3088235 0.1782993 0.5043067), wk = 0.0023753 k( 136) = ( 0.3033088 0.1751154 0.4953012), wk = 0.0023753 k( 137) = ( 0.2977941 0.1719315 0.4862958), wk = 0.0023753 k( 138) = ( 0.2922794 0.1687476 0.4772903), wk = 0.0023753 k( 139) = ( 0.2867647 0.1655637 0.4682848), wk = 0.0023753 k( 140) = ( 0.2812500 0.1623798 0.4592793), wk = 0.0023753 k( 141) = ( 0.2757353 0.1591958 0.4502739), wk = 0.0023753 k( 142) = ( 0.2702206 0.1560119 0.4412684), wk = 0.0023753 k( 143) = ( 0.2647059 0.1528280 0.4322629), wk = 0.0023753 k( 144) = ( 0.2591912 0.1496441 0.4232574), wk = 0.0023753 k( 145) = ( 0.2536765 0.1464602 0.4142519), wk = 0.0023753 k( 146) = ( 0.2481618 0.1432763 0.4052465), wk = 0.0023753 k( 147) = ( 0.2426471 0.1400923 0.3962410), wk = 0.0023753 k( 148) = ( 0.2371323 0.1369084 0.3872355), wk = 0.0023753 k( 149) = ( 0.2316177 0.1337245 0.3782300), wk = 0.0023753 k( 150) = ( 0.2261029 0.1305406 0.3692246), wk = 0.0023753 k( 151) = ( 0.2205882 0.1273567 0.3602191), wk = 0.0023753 k( 152) = ( 0.2150735 0.1241728 0.3512136), wk = 0.0023753 k( 153) = ( 0.2095588 0.1209888 0.3422081), wk = 0.0023753 k( 154) = ( 0.2040441 0.1178049 0.3332027), wk = 0.0023753 k( 155) = ( 0.1985294 0.1146210 0.3241972), wk = 0.0023753 k( 156) = ( 0.1930147 0.1114371 0.3151917), wk = 0.0023753 k( 157) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0023753 k( 158) = ( 0.1819853 0.1050693 0.2971807), wk = 0.0023753 k( 159) = ( 0.1764706 0.1018853 0.2881753), wk = 0.0023753 k( 160) = ( 0.1709559 0.0987014 0.2791698), wk = 0.0023753 k( 161) = ( 0.1654412 0.0955175 0.2701643), wk = 0.0023753 k( 162) = ( 0.1599265 0.0923336 0.2611588), wk = 0.0023753 k( 163) = ( 0.1544118 0.0891497 0.2521534), wk = 0.0023753 k( 164) = ( 0.1488971 0.0859658 0.2431479), wk = 0.0023753 k( 165) = ( 0.1433823 0.0827818 0.2341424), wk = 0.0023753 k( 166) = ( 0.1378677 0.0795979 0.2251369), wk = 0.0023753 k( 167) = ( 0.1323529 0.0764140 0.2161314), wk = 0.0023753 k( 168) = ( 0.1268382 0.0732301 0.2071260), wk = 0.0023753 k( 169) = ( 0.1213235 0.0700462 0.1981205), wk = 0.0023753 k( 170) = ( 0.1158088 0.0668623 0.1891150), wk = 0.0023753 k( 171) = ( 0.1102941 0.0636783 0.1801095), wk = 0.0023753 k( 172) = ( 0.1047794 0.0604944 0.1711041), wk = 0.0023753 k( 173) = ( 0.0992647 0.0573105 0.1620986), wk = 0.0023753 k( 174) = ( 0.0937500 0.0541266 0.1530931), wk = 0.0023753 k( 175) = ( 0.0882353 0.0509427 0.1440876), wk = 0.0023753 k( 176) = ( 0.0827206 0.0477588 0.1350822), wk = 0.0023753 k( 177) = ( 0.0772059 0.0445748 0.1260767), wk = 0.0023753 k( 178) = ( 0.0716912 0.0413909 0.1170712), wk = 0.0023753 k( 179) = ( 0.0661765 0.0382070 0.1080657), wk = 0.0023753 k( 180) = ( 0.0606618 0.0350231 0.0990603), wk = 0.0023753 k( 181) = ( 0.0551471 0.0318392 0.0900548), wk = 0.0023753 k( 182) = ( 0.0496323 0.0286553 0.0810493), wk = 0.0023753 k( 183) = ( 0.0441177 0.0254713 0.0720438), wk = 0.0023753 k( 184) = ( 0.0386029 0.0222874 0.0630383), wk = 0.0023753 k( 185) = ( 0.0330882 0.0191035 0.0540329), wk = 0.0023753 k( 186) = ( 0.0275735 0.0159196 0.0450274), wk = 0.0023753 k( 187) = ( 0.0220588 0.0127357 0.0360219), wk = 0.0023753 k( 188) = ( 0.0165441 0.0095518 0.0270164), wk = 0.0023753 k( 189) = ( 0.0110294 0.0063678 0.0180110), wk = 0.0023753 k( 190) = ( 0.0055147 0.0031839 0.0090055), wk = 0.0023753 k( 191) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023753 k( 192) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023753 k( 193) = ( 0.0090909 0.0052486 0.0037113), wk = 0.0023753 k( 194) = ( 0.0181818 0.0104973 0.0074227), wk = 0.0023753 k( 195) = ( 0.0272727 0.0157459 0.0111340), wk = 0.0023753 k( 196) = ( 0.0363636 0.0209946 0.0148454), wk = 0.0023753 k( 197) = ( 0.0454546 0.0262432 0.0185567), wk = 0.0023753 k( 198) = ( 0.0545455 0.0314918 0.0222681), wk = 0.0023753 k( 199) = ( 0.0636364 0.0367405 0.0259794), wk = 0.0023753 k( 200) = ( 0.0727273 0.0419891 0.0296908), wk = 0.0023753 k( 201) = ( 0.0818182 0.0472377 0.0334021), wk = 0.0023753 k( 202) = ( 0.0909091 0.0524864 0.0371135), wk = 0.0023753 k( 203) = ( 0.1000000 0.0577350 0.0408248), wk = 0.0023753 k( 204) = ( 0.1090909 0.0629837 0.0445362), wk = 0.0023753 k( 205) = ( 0.1181818 0.0682323 0.0482475), wk = 0.0023753 k( 206) = ( 0.1272727 0.0734809 0.0519589), wk = 0.0023753 k( 207) = ( 0.1363636 0.0787296 0.0556702), wk = 0.0023753 k( 208) = ( 0.1454545 0.0839782 0.0593816), wk = 0.0023753 k( 209) = ( 0.1545455 0.0892269 0.0630929), wk = 0.0023753 k( 210) = ( 0.1636364 0.0944755 0.0668043), wk = 0.0023753 k( 211) = ( 0.1727273 0.0997241 0.0705156), wk = 0.0023753 k( 212) = ( 0.1818182 0.1049728 0.0742270), wk = 0.0023753 k( 213) = ( 0.1909091 0.1102214 0.0779383), wk = 0.0023753 k( 214) = ( 0.2000000 0.1154701 0.0816497), wk = 0.0023753 k( 215) = ( 0.2090909 0.1207187 0.0853610), wk = 0.0023753 k( 216) = ( 0.2181818 0.1259673 0.0890724), wk = 0.0023753 k( 217) = ( 0.2272727 0.1312160 0.0927837), wk = 0.0023753 k( 218) = ( 0.2363636 0.1364646 0.0964951), wk = 0.0023753 k( 219) = ( 0.2454545 0.1417133 0.1002064), wk = 0.0023753 k( 220) = ( 0.2545455 0.1469619 0.1039177), wk = 0.0023753 k( 221) = ( 0.2636364 0.1522105 0.1076291), wk = 0.0023753 k( 222) = ( 0.2727273 0.1574592 0.1113404), wk = 0.0023753 k( 223) = ( 0.2818182 0.1627078 0.1150518), wk = 0.0023753 k( 224) = ( 0.2909091 0.1679564 0.1187631), wk = 0.0023753 k( 225) = ( 0.3000000 0.1732051 0.1224745), wk = 0.0023753 k( 226) = ( 0.3090909 0.1784537 0.1261858), wk = 0.0023753 k( 227) = ( 0.3181818 0.1837024 0.1298972), wk = 0.0023753 k( 228) = ( 0.3272727 0.1889510 0.1336085), wk = 0.0023753 k( 229) = ( 0.3363636 0.1941996 0.1373199), wk = 0.0023753 k( 230) = ( 0.3454546 0.1994483 0.1410312), wk = 0.0023753 k( 231) = ( 0.3545454 0.2046969 0.1447426), wk = 0.0023753 k( 232) = ( 0.3636364 0.2099456 0.1484539), wk = 0.0023753 k( 233) = ( 0.3727273 0.2151942 0.1521653), wk = 0.0023753 k( 234) = ( 0.3818182 0.2204428 0.1558766), wk = 0.0023753 k( 235) = ( 0.3909091 0.2256915 0.1595880), wk = 0.0023753 k( 236) = ( 0.4000000 0.2309401 0.1632993), wk = 0.0023753 k( 237) = ( 0.4090909 0.2361887 0.1670107), wk = 0.0023753 k( 238) = ( 0.4181818 0.2414374 0.1707220), wk = 0.0023753 k( 239) = ( 0.4272727 0.2466860 0.1744334), wk = 0.0023753 k( 240) = ( 0.4363636 0.2519347 0.1781447), wk = 0.0023753 k( 241) = ( 0.4454546 0.2571833 0.1818561), wk = 0.0023753 k( 242) = ( 0.4545455 0.2624319 0.1855674), wk = 0.0023753 k( 243) = ( 0.4636364 0.2676806 0.1892788), wk = 0.0023753 k( 244) = ( 0.4727273 0.2729292 0.1929901), wk = 0.0023753 k( 245) = ( 0.4818182 0.2781779 0.1967014), wk = 0.0023753 k( 246) = ( 0.4909091 0.2834265 0.2004128), wk = 0.0023753 k( 247) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0023753 k( 248) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0023753 k( 249) = ( 0.5032051 0.2794227 0.2093581), wk = 0.0023753 k( 250) = ( 0.5064103 0.2701703 0.2145921), wk = 0.0023753 k( 251) = ( 0.5096154 0.2609179 0.2198260), wk = 0.0023753 k( 252) = ( 0.5128205 0.2516655 0.2250600), wk = 0.0023753 k( 253) = ( 0.5160256 0.2424131 0.2302939), wk = 0.0023753 k( 254) = ( 0.5192308 0.2331607 0.2355279), wk = 0.0023753 k( 255) = ( 0.5224359 0.2239083 0.2407618), wk = 0.0023753 k( 256) = ( 0.5256410 0.2146559 0.2459958), wk = 0.0023753 k( 257) = ( 0.5288462 0.2054035 0.2512297), wk = 0.0023753 k( 258) = ( 0.5320513 0.1961511 0.2564637), wk = 0.0023753 k( 259) = ( 0.5352564 0.1868986 0.2616976), wk = 0.0023753 k( 260) = ( 0.5384615 0.1776462 0.2669316), wk = 0.0023753 k( 261) = ( 0.5416667 0.1683938 0.2721655), wk = 0.0023753 k( 262) = ( 0.5448718 0.1591414 0.2773995), wk = 0.0023753 k( 263) = ( 0.5480769 0.1498890 0.2826334), wk = 0.0023753 k( 264) = ( 0.5512820 0.1406366 0.2878674), wk = 0.0023753 k( 265) = ( 0.5544872 0.1313842 0.2931013), wk = 0.0023753 k( 266) = ( 0.5576923 0.1221318 0.2983353), wk = 0.0023753 k( 267) = ( 0.5608974 0.1128794 0.3035692), wk = 0.0023753 k( 268) = ( 0.5641026 0.1036270 0.3088032), wk = 0.0023753 k( 269) = ( 0.5673077 0.0943746 0.3140371), wk = 0.0023753 k( 270) = ( 0.5705128 0.0851222 0.3192711), wk = 0.0023753 k( 271) = ( 0.5737180 0.0758697 0.3245051), wk = 0.0023753 k( 272) = ( 0.5769231 0.0666173 0.3297390), wk = 0.0023753 k( 273) = ( 0.5801282 0.0573649 0.3349730), wk = 0.0023753 k( 274) = ( 0.5833333 0.0481125 0.3402069), wk = 0.0023753 k( 275) = ( 0.5865385 0.0388601 0.3454409), wk = 0.0023753 k( 276) = ( 0.5897436 0.0296077 0.3506748), wk = 0.0023753 k( 277) = ( 0.5929487 0.0203553 0.3559088), wk = 0.0023753 k( 278) = ( 0.5961538 0.0111029 0.3611427), wk = 0.0023753 k( 279) = ( 0.5993590 0.0018505 0.3663767), wk = 0.0023753 k( 280) = ( 0.6025641 -0.0074019 0.3716106), wk = 0.0023753 k( 281) = ( 0.6057692 -0.0166543 0.3768446), wk = 0.0023753 k( 282) = ( 0.6089744 -0.0259067 0.3820785), wk = 0.0023753 k( 283) = ( 0.6121795 -0.0351591 0.3873125), wk = 0.0023753 k( 284) = ( 0.6153846 -0.0444116 0.3925464), wk = 0.0023753 k( 285) = ( 0.6185897 -0.0536640 0.3977804), wk = 0.0023753 k( 286) = ( 0.6217949 -0.0629164 0.4030143), wk = 0.0023753 k( 287) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0023753 k( 288) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0023753 k( 289) = ( 0.6195652 -0.0690310 0.4171232), wk = 0.0023753 k( 290) = ( 0.6141304 -0.0658932 0.4259982), wk = 0.0023753 k( 291) = ( 0.6086957 -0.0627555 0.4348732), wk = 0.0023753 k( 292) = ( 0.6032609 -0.0596177 0.4437481), wk = 0.0023753 k( 293) = ( 0.5978261 -0.0564799 0.4526231), wk = 0.0023753 k( 294) = ( 0.5923913 -0.0533421 0.4614981), wk = 0.0023753 k( 295) = ( 0.5869565 -0.0502044 0.4703730), wk = 0.0023753 k( 296) = ( 0.5815217 -0.0470666 0.4792480), wk = 0.0023753 k( 297) = ( 0.5760870 -0.0439288 0.4881230), wk = 0.0023753 k( 298) = ( 0.5706522 -0.0407910 0.4969979), wk = 0.0023753 k( 299) = ( 0.5652174 -0.0376533 0.5058729), wk = 0.0023753 k( 300) = ( 0.5597826 -0.0345155 0.5147478), wk = 0.0023753 k( 301) = ( 0.5543478 -0.0313777 0.5236228), wk = 0.0023753 k( 302) = ( 0.5489130 -0.0282400 0.5324978), wk = 0.0023753 k( 303) = ( 0.5434783 -0.0251022 0.5413727), wk = 0.0023753 k( 304) = ( 0.5380435 -0.0219644 0.5502477), wk = 0.0023753 k( 305) = ( 0.5326087 -0.0188266 0.5591227), wk = 0.0023753 k( 306) = ( 0.5271739 -0.0156889 0.5679976), wk = 0.0023753 k( 307) = ( 0.5217391 -0.0125511 0.5768726), wk = 0.0023753 k( 308) = ( 0.5163043 -0.0094133 0.5857475), wk = 0.0023753 k( 309) = ( 0.5108696 -0.0062755 0.5946225), wk = 0.0023753 k( 310) = ( 0.5054348 -0.0031378 0.6034975), wk = 0.0023753 k( 311) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0023753 k( 312) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0023753 k( 313) = ( 0.5000000 0.0064150 0.6033002), wk = 0.0023753 k( 314) = ( 0.5000000 0.0128300 0.5942281), wk = 0.0023753 k( 315) = ( 0.5000000 0.0192450 0.5851559), wk = 0.0023753 k( 316) = ( 0.5000000 0.0256600 0.5760837), wk = 0.0023753 k( 317) = ( 0.5000000 0.0320750 0.5670115), wk = 0.0023753 k( 318) = ( 0.5000000 0.0384900 0.5579393), wk = 0.0023753 k( 319) = ( 0.5000000 0.0449050 0.5488671), wk = 0.0023753 k( 320) = ( 0.5000000 0.0513200 0.5397950), wk = 0.0023753 k( 321) = ( 0.5000000 0.0577350 0.5307228), wk = 0.0023753 k( 322) = ( 0.5000000 0.0641500 0.5216506), wk = 0.0023753 k( 323) = ( 0.5000000 0.0705650 0.5125784), wk = 0.0023753 k( 324) = ( 0.5000000 0.0769800 0.5035062), wk = 0.0023753 k( 325) = ( 0.5000000 0.0833950 0.4944340), wk = 0.0023753 k( 326) = ( 0.5000000 0.0898100 0.4853619), wk = 0.0023753 k( 327) = ( 0.5000000 0.0962250 0.4762897), wk = 0.0023753 k( 328) = ( 0.5000000 0.1026400 0.4672175), wk = 0.0023753 k( 329) = ( 0.5000000 0.1090550 0.4581453), wk = 0.0023753 k( 330) = ( 0.5000000 0.1154701 0.4490731), wk = 0.0023753 k( 331) = ( 0.5000000 0.1218851 0.4400009), wk = 0.0023753 k( 332) = ( 0.5000000 0.1283001 0.4309288), wk = 0.0023753 k( 333) = ( 0.5000000 0.1347151 0.4218566), wk = 0.0023753 k( 334) = ( 0.5000000 0.1411301 0.4127844), wk = 0.0023753 k( 335) = ( 0.5000000 0.1475451 0.4037122), wk = 0.0023753 k( 336) = ( 0.5000000 0.1539601 0.3946400), wk = 0.0023753 k( 337) = ( 0.5000000 0.1603751 0.3855678), wk = 0.0023753 k( 338) = ( 0.5000000 0.1667901 0.3764957), wk = 0.0023753 k( 339) = ( 0.5000000 0.1732051 0.3674235), wk = 0.0023753 k( 340) = ( 0.5000000 0.1796201 0.3583513), wk = 0.0023753 k( 341) = ( 0.5000000 0.1860351 0.3492791), wk = 0.0023753 k( 342) = ( 0.5000000 0.1924501 0.3402069), wk = 0.0023753 k( 343) = ( 0.5000000 0.1988651 0.3311347), wk = 0.0023753 k( 344) = ( 0.5000000 0.2052801 0.3220625), wk = 0.0023753 k( 345) = ( 0.5000000 0.2116951 0.3129904), wk = 0.0023753 k( 346) = ( 0.5000000 0.2181101 0.3039182), wk = 0.0023753 k( 347) = ( 0.5000000 0.2245251 0.2948460), wk = 0.0023753 k( 348) = ( 0.5000000 0.2309401 0.2857738), wk = 0.0023753 k( 349) = ( 0.5000000 0.2373551 0.2767016), wk = 0.0023753 k( 350) = ( 0.5000000 0.2437701 0.2676294), wk = 0.0023753 k( 351) = ( 0.5000000 0.2501851 0.2585572), wk = 0.0023753 k( 352) = ( 0.5000000 0.2566001 0.2494851), wk = 0.0023753 k( 353) = ( 0.5000000 0.2630151 0.2404129), wk = 0.0023753 k( 354) = ( 0.5000000 0.2694301 0.2313407), wk = 0.0023753 k( 355) = ( 0.5000000 0.2758451 0.2222685), wk = 0.0023753 k( 356) = ( 0.5000000 0.2822601 0.2131963), wk = 0.0023753 k( 357) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0023753 k( 358) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0023753 k( 359) = ( 0.4967949 0.2868247 0.2145921), wk = 0.0023753 k( 360) = ( 0.4935897 0.2849742 0.2250600), wk = 0.0023753 k( 361) = ( 0.4903846 0.2831237 0.2355279), wk = 0.0023753 k( 362) = ( 0.4871795 0.2812732 0.2459958), wk = 0.0023753 k( 363) = ( 0.4839744 0.2794227 0.2564637), wk = 0.0023753 k( 364) = ( 0.4807692 0.2775722 0.2669316), wk = 0.0023753 k( 365) = ( 0.4775641 0.2757218 0.2773995), wk = 0.0023753 k( 366) = ( 0.4743590 0.2738713 0.2878674), wk = 0.0023753 k( 367) = ( 0.4711538 0.2720208 0.2983353), wk = 0.0023753 k( 368) = ( 0.4679487 0.2701703 0.3088032), wk = 0.0023753 k( 369) = ( 0.4647436 0.2683198 0.3192711), wk = 0.0023753 k( 370) = ( 0.4615385 0.2664694 0.3297390), wk = 0.0023753 k( 371) = ( 0.4583333 0.2646189 0.3402069), wk = 0.0023753 k( 372) = ( 0.4551282 0.2627684 0.3506748), wk = 0.0023753 k( 373) = ( 0.4519231 0.2609179 0.3611427), wk = 0.0023753 k( 374) = ( 0.4487179 0.2590674 0.3716106), wk = 0.0023753 k( 375) = ( 0.4455128 0.2572169 0.3820785), wk = 0.0023753 k( 376) = ( 0.4423077 0.2553665 0.3925464), wk = 0.0023753 k( 377) = ( 0.4391026 0.2535160 0.4030143), wk = 0.0023753 k( 378) = ( 0.4358974 0.2516655 0.4134822), wk = 0.0023753 k( 379) = ( 0.4326923 0.2498150 0.4239501), wk = 0.0023753 k( 380) = ( 0.4294872 0.2479645 0.4344181), wk = 0.0023753 k( 381) = ( 0.4262821 0.2461141 0.4448860), wk = 0.0023753 k( 382) = ( 0.4230769 0.2442636 0.4553539), wk = 0.0023753 k( 383) = ( 0.4198718 0.2424131 0.4658218), wk = 0.0023753 k( 384) = ( 0.4166667 0.2405626 0.4762897), wk = 0.0023753 k( 385) = ( 0.4134615 0.2387121 0.4867576), wk = 0.0023753 k( 386) = ( 0.4102564 0.2368616 0.4972255), wk = 0.0023753 k( 387) = ( 0.4070513 0.2350112 0.5076934), wk = 0.0023753 k( 388) = ( 0.4038462 0.2331607 0.5181613), wk = 0.0023753 k( 389) = ( 0.4006410 0.2313102 0.5286292), wk = 0.0023753 k( 390) = ( 0.3974359 0.2294597 0.5390971), wk = 0.0023753 k( 391) = ( 0.3942308 0.2276092 0.5495650), wk = 0.0023753 k( 392) = ( 0.3910256 0.2257588 0.5600329), wk = 0.0023753 k( 393) = ( 0.3878205 0.2239083 0.5705008), wk = 0.0023753 k( 394) = ( 0.3846154 0.2220578 0.5809687), wk = 0.0023753 k( 395) = ( 0.3814103 0.2202073 0.5914366), wk = 0.0023753 k( 396) = ( 0.3782051 0.2183568 0.6019045), wk = 0.0023753 k( 397) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0023753 k( 398) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0023753 k( 399) = ( 0.6195652 -0.0815821 0.4082483), wk = 0.0023753 k( 400) = ( 0.6141304 -0.0909954 0.4082483), wk = 0.0023753 k( 401) = ( 0.6086957 -0.1004087 0.4082483), wk = 0.0023753 k( 402) = ( 0.6032609 -0.1098221 0.4082483), wk = 0.0023753 k( 403) = ( 0.5978261 -0.1192354 0.4082483), wk = 0.0023753 k( 404) = ( 0.5923913 -0.1286487 0.4082483), wk = 0.0023753 k( 405) = ( 0.5869565 -0.1380620 0.4082483), wk = 0.0023753 k( 406) = ( 0.5815217 -0.1474753 0.4082483), wk = 0.0023753 k( 407) = ( 0.5760870 -0.1568887 0.4082483), wk = 0.0023753 k( 408) = ( 0.5706522 -0.1663020 0.4082483), wk = 0.0023753 k( 409) = ( 0.5652174 -0.1757153 0.4082483), wk = 0.0023753 k( 410) = ( 0.5597826 -0.1851286 0.4082483), wk = 0.0023753 k( 411) = ( 0.5543478 -0.1945419 0.4082483), wk = 0.0023753 k( 412) = ( 0.5489130 -0.2039553 0.4082483), wk = 0.0023753 k( 413) = ( 0.5434783 -0.2133686 0.4082483), wk = 0.0023753 k( 414) = ( 0.5380435 -0.2227819 0.4082483), wk = 0.0023753 k( 415) = ( 0.5326087 -0.2321952 0.4082483), wk = 0.0023753 k( 416) = ( 0.5271739 -0.2416085 0.4082483), wk = 0.0023753 k( 417) = ( 0.5217391 -0.2510219 0.4082483), wk = 0.0023753 k( 418) = ( 0.5163043 -0.2604352 0.4082483), wk = 0.0023753 k( 419) = ( 0.5108696 -0.2698485 0.4082483), wk = 0.0023753 k( 420) = ( 0.5054348 -0.2792618 0.4082483), wk = 0.0023753 k( 421) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0023753 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023753 k( 2) = ( 0.0078125 0.0000000 0.0078125), wk = 0.0023753 k( 3) = ( 0.0156250 0.0000000 0.0156250), wk = 0.0023753 k( 4) = ( 0.0234375 0.0000000 0.0234375), wk = 0.0023753 k( 5) = ( 0.0312500 0.0000000 0.0312500), wk = 0.0023753 k( 6) = ( 0.0390625 -0.0000000 0.0390625), wk = 0.0023753 k( 7) = ( 0.0468750 0.0000000 0.0468750), wk = 0.0023753 k( 8) = ( 0.0546875 0.0000000 0.0546875), wk = 0.0023753 k( 9) = ( 0.0625000 0.0000000 0.0625000), wk = 0.0023753 k( 10) = ( 0.0703125 -0.0000000 0.0703125), wk = 0.0023753 k( 11) = ( 0.0781250 -0.0000000 0.0781250), wk = 0.0023753 k( 12) = ( 0.0859375 0.0000000 0.0859375), wk = 0.0023753 k( 13) = ( 0.0937500 0.0000000 0.0937500), wk = 0.0023753 k( 14) = ( 0.1015625 0.0000000 0.1015625), wk = 0.0023753 k( 15) = ( 0.1093750 0.0000000 0.1093750), wk = 0.0023753 k( 16) = ( 0.1171875 0.0000000 0.1171875), wk = 0.0023753 k( 17) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0023753 k( 18) = ( 0.1328125 0.0000000 0.1328125), wk = 0.0023753 k( 19) = ( 0.1406250 -0.0000000 0.1406250), wk = 0.0023753 k( 20) = ( 0.1484375 -0.0000000 0.1484375), wk = 0.0023753 k( 21) = ( 0.1562500 -0.0000000 0.1562500), wk = 0.0023753 k( 22) = ( 0.1640625 0.0000000 0.1640625), wk = 0.0023753 k( 23) = ( 0.1718750 0.0000000 0.1718750), wk = 0.0023753 k( 24) = ( 0.1796875 -0.0000000 0.1796875), wk = 0.0023753 k( 25) = ( 0.1875000 0.0000000 0.1875000), wk = 0.0023753 k( 26) = ( 0.1953125 0.0000000 0.1953125), wk = 0.0023753 k( 27) = ( 0.2031250 0.0000000 0.2031250), wk = 0.0023753 k( 28) = ( 0.2109375 0.0000000 0.2109375), wk = 0.0023753 k( 29) = ( 0.2187500 0.0000000 0.2187500), wk = 0.0023753 k( 30) = ( 0.2265625 0.0000000 0.2265625), wk = 0.0023753 k( 31) = ( 0.2343750 0.0000000 0.2343750), wk = 0.0023753 k( 32) = ( 0.2421875 0.0000000 0.2421875), wk = 0.0023753 k( 33) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0023753 k( 34) = ( 0.2578125 0.0000000 0.2578125), wk = 0.0023753 k( 35) = ( 0.2656250 0.0000000 0.2656250), wk = 0.0023753 k( 36) = ( 0.2734375 0.0000000 0.2734375), wk = 0.0023753 k( 37) = ( 0.2812500 -0.0000000 0.2812500), wk = 0.0023753 k( 38) = ( 0.2890625 -0.0000000 0.2890625), wk = 0.0023753 k( 39) = ( 0.2968750 -0.0000000 0.2968750), wk = 0.0023753 k( 40) = ( 0.3046875 -0.0000000 0.3046875), wk = 0.0023753 k( 41) = ( 0.3125000 -0.0000000 0.3125000), wk = 0.0023753 k( 42) = ( 0.3203125 0.0000000 0.3203125), wk = 0.0023753 k( 43) = ( 0.3281250 0.0000000 0.3281250), wk = 0.0023753 k( 44) = ( 0.3359375 0.0000000 0.3359375), wk = 0.0023753 k( 45) = ( 0.3437500 0.0000000 0.3437500), wk = 0.0023753 k( 46) = ( 0.3515625 -0.0000000 0.3515625), wk = 0.0023753 k( 47) = ( 0.3593750 -0.0000000 0.3593750), wk = 0.0023753 k( 48) = ( 0.3671875 -0.0000000 0.3671875), wk = 0.0023753 k( 49) = ( 0.3750000 0.0000000 0.3750000), wk = 0.0023753 k( 50) = ( 0.3828125 0.0000000 0.3828125), wk = 0.0023753 k( 51) = ( 0.3906250 0.0000000 0.3906250), wk = 0.0023753 k( 52) = ( 0.3984375 0.0000000 0.3984375), wk = 0.0023753 k( 53) = ( 0.4062500 0.0000000 0.4062500), wk = 0.0023753 k( 54) = ( 0.4140625 0.0000000 0.4140625), wk = 0.0023753 k( 55) = ( 0.4218750 0.0000000 0.4218750), wk = 0.0023753 k( 56) = ( 0.4296875 0.0000000 0.4296875), wk = 0.0023753 k( 57) = ( 0.4375000 0.0000000 0.4375000), wk = 0.0023753 k( 58) = ( 0.4453125 -0.0000000 0.4453125), wk = 0.0023753 k( 59) = ( 0.4531250 0.0000000 0.4531250), wk = 0.0023753 k( 60) = ( 0.4609375 -0.0000000 0.4609375), wk = 0.0023753 k( 61) = ( 0.4687500 0.0000000 0.4687500), wk = 0.0023753 k( 62) = ( 0.4765625 -0.0000000 0.4765625), wk = 0.0023753 k( 63) = ( 0.4843750 0.0000000 0.4843750), wk = 0.0023753 k( 64) = ( 0.4921875 -0.0000000 0.4921875), wk = 0.0023753 k( 65) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023753 k( 66) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023753 k( 67) = ( 0.5000000 0.0078125 0.5078125), wk = 0.0023753 k( 68) = ( 0.5000000 0.0156250 0.5156250), wk = 0.0023753 k( 69) = ( 0.5000000 0.0234375 0.5234375), wk = 0.0023753 k( 70) = ( 0.5000000 0.0312500 0.5312500), wk = 0.0023753 k( 71) = ( 0.5000000 0.0390625 0.5390625), wk = 0.0023753 k( 72) = ( 0.5000000 0.0468750 0.5468750), wk = 0.0023753 k( 73) = ( 0.5000000 0.0546875 0.5546875), wk = 0.0023753 k( 74) = ( 0.5000000 0.0625000 0.5625000), wk = 0.0023753 k( 75) = ( 0.5000000 0.0703125 0.5703125), wk = 0.0023753 k( 76) = ( 0.5000000 0.0781250 0.5781250), wk = 0.0023753 k( 77) = ( 0.5000000 0.0859375 0.5859375), wk = 0.0023753 k( 78) = ( 0.5000000 0.0937500 0.5937500), wk = 0.0023753 k( 79) = ( 0.5000000 0.1015625 0.6015625), wk = 0.0023753 k( 80) = ( 0.5000000 0.1093750 0.6093750), wk = 0.0023753 k( 81) = ( 0.5000000 0.1171875 0.6171875), wk = 0.0023753 k( 82) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0023753 k( 83) = ( 0.5000000 0.1328125 0.6328125), wk = 0.0023753 k( 84) = ( 0.5000000 0.1406250 0.6406250), wk = 0.0023753 k( 85) = ( 0.5000000 0.1484375 0.6484375), wk = 0.0023753 k( 86) = ( 0.5000000 0.1562500 0.6562500), wk = 0.0023753 k( 87) = ( 0.5000000 0.1640625 0.6640625), wk = 0.0023753 k( 88) = ( 0.5000000 0.1718750 0.6718750), wk = 0.0023753 k( 89) = ( 0.5000000 0.1796875 0.6796875), wk = 0.0023753 k( 90) = ( 0.5000000 0.1875000 0.6875000), wk = 0.0023753 k( 91) = ( 0.5000000 0.1953125 0.6953125), wk = 0.0023753 k( 92) = ( 0.5000000 0.2031250 0.7031250), wk = 0.0023753 k( 93) = ( 0.5000000 0.2109375 0.7109375), wk = 0.0023753 k( 94) = ( 0.5000000 0.2187500 0.7187500), wk = 0.0023753 k( 95) = ( 0.5000000 0.2265625 0.7265625), wk = 0.0023753 k( 96) = ( 0.5000000 0.2343750 0.7343750), wk = 0.0023753 k( 97) = ( 0.5000000 0.2421875 0.7421875), wk = 0.0023753 k( 98) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0023753 k( 99) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0023753 k( 100) = ( 0.4945652 0.2554348 0.7500000), wk = 0.0023753 k( 101) = ( 0.4891304 0.2608696 0.7500000), wk = 0.0023753 k( 102) = ( 0.4836956 0.2663044 0.7500000), wk = 0.0023753 k( 103) = ( 0.4782609 0.2717391 0.7500000), wk = 0.0023753 k( 104) = ( 0.4728261 0.2771739 0.7500000), wk = 0.0023753 k( 105) = ( 0.4673913 0.2826087 0.7500000), wk = 0.0023753 k( 106) = ( 0.4619565 0.2880435 0.7500000), wk = 0.0023753 k( 107) = ( 0.4565217 0.2934783 0.7500000), wk = 0.0023753 k( 108) = ( 0.4510870 0.2989130 0.7500000), wk = 0.0023753 k( 109) = ( 0.4456522 0.3043478 0.7500000), wk = 0.0023753 k( 110) = ( 0.4402174 0.3097826 0.7500000), wk = 0.0023753 k( 111) = ( 0.4347826 0.3152174 0.7500000), wk = 0.0023753 k( 112) = ( 0.4293478 0.3206522 0.7500000), wk = 0.0023753 k( 113) = ( 0.4239130 0.3260870 0.7500000), wk = 0.0023753 k( 114) = ( 0.4184783 0.3315217 0.7500000), wk = 0.0023753 k( 115) = ( 0.4130435 0.3369565 0.7500000), wk = 0.0023753 k( 116) = ( 0.4076087 0.3423913 0.7500000), wk = 0.0023753 k( 117) = ( 0.4021739 0.3478261 0.7500000), wk = 0.0023753 k( 118) = ( 0.3967391 0.3532609 0.7500000), wk = 0.0023753 k( 119) = ( 0.3913044 0.3586957 0.7500000), wk = 0.0023753 k( 120) = ( 0.3858696 0.3641304 0.7500000), wk = 0.0023753 k( 121) = ( 0.3804348 0.3695652 0.7500000), wk = 0.0023753 k( 122) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0023753 k( 123) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0023753 k( 124) = ( 0.3694853 0.3694853 0.7389706), wk = 0.0023753 k( 125) = ( 0.3639706 0.3639706 0.7279412), wk = 0.0023753 k( 126) = ( 0.3584559 0.3584559 0.7169118), wk = 0.0023753 k( 127) = ( 0.3529412 0.3529412 0.7058823), wk = 0.0023753 k( 128) = ( 0.3474265 0.3474265 0.6948529), wk = 0.0023753 k( 129) = ( 0.3419118 0.3419118 0.6838235), wk = 0.0023753 k( 130) = ( 0.3363971 0.3363971 0.6727941), wk = 0.0023753 k( 131) = ( 0.3308823 0.3308823 0.6617647), wk = 0.0023753 k( 132) = ( 0.3253677 0.3253677 0.6507353), wk = 0.0023753 k( 133) = ( 0.3198529 0.3198529 0.6397059), wk = 0.0023753 k( 134) = ( 0.3143382 0.3143382 0.6286765), wk = 0.0023753 k( 135) = ( 0.3088235 0.3088235 0.6176471), wk = 0.0023753 k( 136) = ( 0.3033088 0.3033088 0.6066177), wk = 0.0023753 k( 137) = ( 0.2977941 0.2977941 0.5955882), wk = 0.0023753 k( 138) = ( 0.2922794 0.2922794 0.5845588), wk = 0.0023753 k( 139) = ( 0.2867647 0.2867647 0.5735294), wk = 0.0023753 k( 140) = ( 0.2812500 0.2812500 0.5625000), wk = 0.0023753 k( 141) = ( 0.2757353 0.2757353 0.5514706), wk = 0.0023753 k( 142) = ( 0.2702206 0.2702206 0.5404412), wk = 0.0023753 k( 143) = ( 0.2647059 0.2647059 0.5294118), wk = 0.0023753 k( 144) = ( 0.2591912 0.2591912 0.5183823), wk = 0.0023753 k( 145) = ( 0.2536765 0.2536765 0.5073529), wk = 0.0023753 k( 146) = ( 0.2481618 0.2481618 0.4963235), wk = 0.0023753 k( 147) = ( 0.2426471 0.2426471 0.4852941), wk = 0.0023753 k( 148) = ( 0.2371323 0.2371323 0.4742647), wk = 0.0023753 k( 149) = ( 0.2316177 0.2316177 0.4632353), wk = 0.0023753 k( 150) = ( 0.2261029 0.2261029 0.4522059), wk = 0.0023753 k( 151) = ( 0.2205882 0.2205882 0.4411765), wk = 0.0023753 k( 152) = ( 0.2150735 0.2150735 0.4301471), wk = 0.0023753 k( 153) = ( 0.2095588 0.2095588 0.4191177), wk = 0.0023753 k( 154) = ( 0.2040441 0.2040441 0.4080882), wk = 0.0023753 k( 155) = ( 0.1985294 0.1985294 0.3970588), wk = 0.0023753 k( 156) = ( 0.1930147 0.1930147 0.3860294), wk = 0.0023753 k( 157) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0023753 k( 158) = ( 0.1819853 0.1819853 0.3639706), wk = 0.0023753 k( 159) = ( 0.1764706 0.1764706 0.3529412), wk = 0.0023753 k( 160) = ( 0.1709559 0.1709559 0.3419118), wk = 0.0023753 k( 161) = ( 0.1654412 0.1654412 0.3308823), wk = 0.0023753 k( 162) = ( 0.1599265 0.1599265 0.3198529), wk = 0.0023753 k( 163) = ( 0.1544118 0.1544118 0.3088235), wk = 0.0023753 k( 164) = ( 0.1488971 0.1488971 0.2977941), wk = 0.0023753 k( 165) = ( 0.1433823 0.1433823 0.2867647), wk = 0.0023753 k( 166) = ( 0.1378677 0.1378677 0.2757353), wk = 0.0023753 k( 167) = ( 0.1323529 0.1323529 0.2647059), wk = 0.0023753 k( 168) = ( 0.1268382 0.1268382 0.2536765), wk = 0.0023753 k( 169) = ( 0.1213235 0.1213235 0.2426471), wk = 0.0023753 k( 170) = ( 0.1158088 0.1158088 0.2316177), wk = 0.0023753 k( 171) = ( 0.1102941 0.1102941 0.2205882), wk = 0.0023753 k( 172) = ( 0.1047794 0.1047794 0.2095588), wk = 0.0023753 k( 173) = ( 0.0992647 0.0992647 0.1985294), wk = 0.0023753 k( 174) = ( 0.0937500 0.0937500 0.1875000), wk = 0.0023753 k( 175) = ( 0.0882353 0.0882353 0.1764706), wk = 0.0023753 k( 176) = ( 0.0827206 0.0827206 0.1654412), wk = 0.0023753 k( 177) = ( 0.0772059 0.0772059 0.1544118), wk = 0.0023753 k( 178) = ( 0.0716912 0.0716912 0.1433823), wk = 0.0023753 k( 179) = ( 0.0661765 0.0661765 0.1323529), wk = 0.0023753 k( 180) = ( 0.0606618 0.0606618 0.1213235), wk = 0.0023753 k( 181) = ( 0.0551471 0.0551471 0.1102941), wk = 0.0023753 k( 182) = ( 0.0496323 0.0496324 0.0992647), wk = 0.0023753 k( 183) = ( 0.0441177 0.0441177 0.0882353), wk = 0.0023753 k( 184) = ( 0.0386029 0.0386029 0.0772059), wk = 0.0023753 k( 185) = ( 0.0330882 0.0330882 0.0661765), wk = 0.0023753 k( 186) = ( 0.0275735 0.0275735 0.0551471), wk = 0.0023753 k( 187) = ( 0.0220588 0.0220588 0.0441177), wk = 0.0023753 k( 188) = ( 0.0165441 0.0165441 0.0330882), wk = 0.0023753 k( 189) = ( 0.0110294 0.0110294 0.0220588), wk = 0.0023753 k( 190) = ( 0.0055147 0.0055147 0.0110294), wk = 0.0023753 k( 191) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023753 k( 192) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023753 k( 193) = ( 0.0090909 0.0090909 0.0090909), wk = 0.0023753 k( 194) = ( 0.0181818 0.0181818 0.0181818), wk = 0.0023753 k( 195) = ( 0.0272727 0.0272727 0.0272727), wk = 0.0023753 k( 196) = ( 0.0363636 0.0363636 0.0363636), wk = 0.0023753 k( 197) = ( 0.0454546 0.0454546 0.0454546), wk = 0.0023753 k( 198) = ( 0.0545455 0.0545455 0.0545454), wk = 0.0023753 k( 199) = ( 0.0636364 0.0636364 0.0636364), wk = 0.0023753 k( 200) = ( 0.0727273 0.0727273 0.0727273), wk = 0.0023753 k( 201) = ( 0.0818182 0.0818182 0.0818182), wk = 0.0023753 k( 202) = ( 0.0909091 0.0909091 0.0909091), wk = 0.0023753 k( 203) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0023753 k( 204) = ( 0.1090909 0.1090909 0.1090909), wk = 0.0023753 k( 205) = ( 0.1181818 0.1181818 0.1181818), wk = 0.0023753 k( 206) = ( 0.1272727 0.1272727 0.1272727), wk = 0.0023753 k( 207) = ( 0.1363636 0.1363636 0.1363636), wk = 0.0023753 k( 208) = ( 0.1454545 0.1454545 0.1454545), wk = 0.0023753 k( 209) = ( 0.1545455 0.1545455 0.1545455), wk = 0.0023753 k( 210) = ( 0.1636364 0.1636364 0.1636364), wk = 0.0023753 k( 211) = ( 0.1727273 0.1727273 0.1727273), wk = 0.0023753 k( 212) = ( 0.1818182 0.1818182 0.1818182), wk = 0.0023753 k( 213) = ( 0.1909091 0.1909091 0.1909091), wk = 0.0023753 k( 214) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0023753 k( 215) = ( 0.2090909 0.2090909 0.2090909), wk = 0.0023753 k( 216) = ( 0.2181818 0.2181818 0.2181818), wk = 0.0023753 k( 217) = ( 0.2272727 0.2272727 0.2272727), wk = 0.0023753 k( 218) = ( 0.2363636 0.2363636 0.2363636), wk = 0.0023753 k( 219) = ( 0.2454545 0.2454545 0.2454546), wk = 0.0023753 k( 220) = ( 0.2545455 0.2545455 0.2545455), wk = 0.0023753 k( 221) = ( 0.2636364 0.2636364 0.2636364), wk = 0.0023753 k( 222) = ( 0.2727273 0.2727273 0.2727273), wk = 0.0023753 k( 223) = ( 0.2818182 0.2818182 0.2818182), wk = 0.0023753 k( 224) = ( 0.2909091 0.2909091 0.2909091), wk = 0.0023753 k( 225) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0023753 k( 226) = ( 0.3090909 0.3090909 0.3090909), wk = 0.0023753 k( 227) = ( 0.3181818 0.3181818 0.3181818), wk = 0.0023753 k( 228) = ( 0.3272727 0.3272727 0.3272727), wk = 0.0023753 k( 229) = ( 0.3363636 0.3363636 0.3363636), wk = 0.0023753 k( 230) = ( 0.3454546 0.3454546 0.3454546), wk = 0.0023753 k( 231) = ( 0.3545454 0.3545454 0.3545454), wk = 0.0023753 k( 232) = ( 0.3636364 0.3636364 0.3636364), wk = 0.0023753 k( 233) = ( 0.3727273 0.3727273 0.3727273), wk = 0.0023753 k( 234) = ( 0.3818182 0.3818182 0.3818182), wk = 0.0023753 k( 235) = ( 0.3909091 0.3909091 0.3909091), wk = 0.0023753 k( 236) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0023753 k( 237) = ( 0.4090909 0.4090909 0.4090909), wk = 0.0023753 k( 238) = ( 0.4181818 0.4181818 0.4181818), wk = 0.0023753 k( 239) = ( 0.4272727 0.4272727 0.4272727), wk = 0.0023753 k( 240) = ( 0.4363636 0.4363636 0.4363636), wk = 0.0023753 k( 241) = ( 0.4454546 0.4454546 0.4454546), wk = 0.0023753 k( 242) = ( 0.4545455 0.4545455 0.4545455), wk = 0.0023753 k( 243) = ( 0.4636364 0.4636364 0.4636364), wk = 0.0023753 k( 244) = ( 0.4727273 0.4727273 0.4727273), wk = 0.0023753 k( 245) = ( 0.4818182 0.4818182 0.4818182), wk = 0.0023753 k( 246) = ( 0.4909091 0.4909091 0.4909091), wk = 0.0023753 k( 247) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023753 k( 248) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023753 k( 249) = ( 0.5032051 0.4935897 0.5032051), wk = 0.0023753 k( 250) = ( 0.5064103 0.4871795 0.5064103), wk = 0.0023753 k( 251) = ( 0.5096154 0.4807692 0.5096154), wk = 0.0023753 k( 252) = ( 0.5128205 0.4743590 0.5128205), wk = 0.0023753 k( 253) = ( 0.5160256 0.4679487 0.5160256), wk = 0.0023753 k( 254) = ( 0.5192308 0.4615385 0.5192308), wk = 0.0023753 k( 255) = ( 0.5224359 0.4551282 0.5224359), wk = 0.0023753 k( 256) = ( 0.5256410 0.4487180 0.5256410), wk = 0.0023753 k( 257) = ( 0.5288462 0.4423077 0.5288462), wk = 0.0023753 k( 258) = ( 0.5320513 0.4358974 0.5320513), wk = 0.0023753 k( 259) = ( 0.5352564 0.4294872 0.5352564), wk = 0.0023753 k( 260) = ( 0.5384615 0.4230769 0.5384615), wk = 0.0023753 k( 261) = ( 0.5416667 0.4166667 0.5416667), wk = 0.0023753 k( 262) = ( 0.5448718 0.4102564 0.5448718), wk = 0.0023753 k( 263) = ( 0.5480769 0.4038462 0.5480769), wk = 0.0023753 k( 264) = ( 0.5512820 0.3974359 0.5512820), wk = 0.0023753 k( 265) = ( 0.5544872 0.3910256 0.5544872), wk = 0.0023753 k( 266) = ( 0.5576923 0.3846154 0.5576923), wk = 0.0023753 k( 267) = ( 0.5608974 0.3782051 0.5608974), wk = 0.0023753 k( 268) = ( 0.5641026 0.3717949 0.5641026), wk = 0.0023753 k( 269) = ( 0.5673077 0.3653846 0.5673077), wk = 0.0023753 k( 270) = ( 0.5705128 0.3589744 0.5705128), wk = 0.0023753 k( 271) = ( 0.5737180 0.3525641 0.5737180), wk = 0.0023753 k( 272) = ( 0.5769231 0.3461538 0.5769231), wk = 0.0023753 k( 273) = ( 0.5801282 0.3397436 0.5801282), wk = 0.0023753 k( 274) = ( 0.5833333 0.3333333 0.5833333), wk = 0.0023753 k( 275) = ( 0.5865385 0.3269231 0.5865385), wk = 0.0023753 k( 276) = ( 0.5897436 0.3205128 0.5897436), wk = 0.0023753 k( 277) = ( 0.5929487 0.3141026 0.5929487), wk = 0.0023753 k( 278) = ( 0.5961538 0.3076923 0.5961538), wk = 0.0023753 k( 279) = ( 0.5993590 0.3012821 0.5993590), wk = 0.0023753 k( 280) = ( 0.6025641 0.2948718 0.6025641), wk = 0.0023753 k( 281) = ( 0.6057692 0.2884615 0.6057692), wk = 0.0023753 k( 282) = ( 0.6089744 0.2820513 0.6089744), wk = 0.0023753 k( 283) = ( 0.6121795 0.2756410 0.6121795), wk = 0.0023753 k( 284) = ( 0.6153846 0.2692308 0.6153846), wk = 0.0023753 k( 285) = ( 0.6185897 0.2628205 0.6185897), wk = 0.0023753 k( 286) = ( 0.6217949 0.2564103 0.6217949), wk = 0.0023753 k( 287) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0023753 k( 288) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0023753 k( 289) = ( 0.6195652 0.2500000 0.6304348), wk = 0.0023753 k( 290) = ( 0.6141304 0.2500000 0.6358696), wk = 0.0023753 k( 291) = ( 0.6086957 0.2500000 0.6413043), wk = 0.0023753 k( 292) = ( 0.6032609 0.2500000 0.6467391), wk = 0.0023753 k( 293) = ( 0.5978261 0.2500000 0.6521739), wk = 0.0023753 k( 294) = ( 0.5923913 0.2500000 0.6576087), wk = 0.0023753 k( 295) = ( 0.5869565 0.2500000 0.6630435), wk = 0.0023753 k( 296) = ( 0.5815217 0.2500000 0.6684783), wk = 0.0023753 k( 297) = ( 0.5760870 0.2500000 0.6739130), wk = 0.0023753 k( 298) = ( 0.5706522 0.2500000 0.6793478), wk = 0.0023753 k( 299) = ( 0.5652174 0.2500000 0.6847826), wk = 0.0023753 k( 300) = ( 0.5597826 0.2500000 0.6902174), wk = 0.0023753 k( 301) = ( 0.5543478 0.2500000 0.6956522), wk = 0.0023753 k( 302) = ( 0.5489130 0.2500000 0.7010870), wk = 0.0023753 k( 303) = ( 0.5434783 0.2500000 0.7065217), wk = 0.0023753 k( 304) = ( 0.5380435 0.2500000 0.7119565), wk = 0.0023753 k( 305) = ( 0.5326087 0.2500000 0.7173913), wk = 0.0023753 k( 306) = ( 0.5271739 0.2500000 0.7228261), wk = 0.0023753 k( 307) = ( 0.5217391 0.2500000 0.7282609), wk = 0.0023753 k( 308) = ( 0.5163043 0.2500000 0.7336957), wk = 0.0023753 k( 309) = ( 0.5108696 0.2500000 0.7391304), wk = 0.0023753 k( 310) = ( 0.5054348 0.2500000 0.7445652), wk = 0.0023753 k( 311) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0023753 k( 312) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0023753 k( 313) = ( 0.5000000 0.2555556 0.7444444), wk = 0.0023753 k( 314) = ( 0.5000000 0.2611111 0.7388889), wk = 0.0023753 k( 315) = ( 0.5000000 0.2666667 0.7333333), wk = 0.0023753 k( 316) = ( 0.5000000 0.2722222 0.7277778), wk = 0.0023753 k( 317) = ( 0.5000000 0.2777778 0.7222222), wk = 0.0023753 k( 318) = ( 0.5000000 0.2833333 0.7166667), wk = 0.0023753 k( 319) = ( 0.5000000 0.2888889 0.7111111), wk = 0.0023753 k( 320) = ( 0.5000000 0.2944444 0.7055556), wk = 0.0023753 k( 321) = ( 0.5000000 0.3000000 0.7000000), wk = 0.0023753 k( 322) = ( 0.5000000 0.3055556 0.6944444), wk = 0.0023753 k( 323) = ( 0.5000000 0.3111111 0.6888889), wk = 0.0023753 k( 324) = ( 0.5000000 0.3166667 0.6833333), wk = 0.0023753 k( 325) = ( 0.5000000 0.3222222 0.6777778), wk = 0.0023753 k( 326) = ( 0.5000000 0.3277778 0.6722222), wk = 0.0023753 k( 327) = ( 0.5000000 0.3333333 0.6666667), wk = 0.0023753 k( 328) = ( 0.5000000 0.3388889 0.6611111), wk = 0.0023753 k( 329) = ( 0.5000000 0.3444444 0.6555556), wk = 0.0023753 k( 330) = ( 0.5000000 0.3500000 0.6500000), wk = 0.0023753 k( 331) = ( 0.5000000 0.3555556 0.6444444), wk = 0.0023753 k( 332) = ( 0.5000000 0.3611111 0.6388889), wk = 0.0023753 k( 333) = ( 0.5000000 0.3666667 0.6333333), wk = 0.0023753 k( 334) = ( 0.5000000 0.3722222 0.6277778), wk = 0.0023753 k( 335) = ( 0.5000000 0.3777778 0.6222222), wk = 0.0023753 k( 336) = ( 0.5000000 0.3833333 0.6166667), wk = 0.0023753 k( 337) = ( 0.5000000 0.3888889 0.6111111), wk = 0.0023753 k( 338) = ( 0.5000000 0.3944444 0.6055556), wk = 0.0023753 k( 339) = ( 0.5000000 0.4000000 0.6000000), wk = 0.0023753 k( 340) = ( 0.5000000 0.4055556 0.5944444), wk = 0.0023753 k( 341) = ( 0.5000000 0.4111111 0.5888889), wk = 0.0023753 k( 342) = ( 0.5000000 0.4166667 0.5833333), wk = 0.0023753 k( 343) = ( 0.5000000 0.4222222 0.5777778), wk = 0.0023753 k( 344) = ( 0.5000000 0.4277778 0.5722222), wk = 0.0023753 k( 345) = ( 0.5000000 0.4333333 0.5666667), wk = 0.0023753 k( 346) = ( 0.5000000 0.4388889 0.5611111), wk = 0.0023753 k( 347) = ( 0.5000000 0.4444444 0.5555556), wk = 0.0023753 k( 348) = ( 0.5000000 0.4500000 0.5500000), wk = 0.0023753 k( 349) = ( 0.5000000 0.4555556 0.5444444), wk = 0.0023753 k( 350) = ( 0.5000000 0.4611111 0.5388889), wk = 0.0023753 k( 351) = ( 0.5000000 0.4666667 0.5333333), wk = 0.0023753 k( 352) = ( 0.5000000 0.4722222 0.5277778), wk = 0.0023753 k( 353) = ( 0.5000000 0.4777778 0.5222222), wk = 0.0023753 k( 354) = ( 0.5000000 0.4833333 0.5166667), wk = 0.0023753 k( 355) = ( 0.5000000 0.4888889 0.5111111), wk = 0.0023753 k( 356) = ( 0.5000000 0.4944444 0.5055556), wk = 0.0023753 k( 357) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023753 k( 358) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023753 k( 359) = ( 0.4967949 0.4967949 0.5064103), wk = 0.0023753 k( 360) = ( 0.4935897 0.4935897 0.5128205), wk = 0.0023753 k( 361) = ( 0.4903846 0.4903846 0.5192308), wk = 0.0023753 k( 362) = ( 0.4871795 0.4871795 0.5256410), wk = 0.0023753 k( 363) = ( 0.4839744 0.4839744 0.5320513), wk = 0.0023753 k( 364) = ( 0.4807692 0.4807692 0.5384615), wk = 0.0023753 k( 365) = ( 0.4775641 0.4775641 0.5448718), wk = 0.0023753 k( 366) = ( 0.4743590 0.4743590 0.5512820), wk = 0.0023753 k( 367) = ( 0.4711538 0.4711538 0.5576923), wk = 0.0023753 k( 368) = ( 0.4679487 0.4679487 0.5641026), wk = 0.0023753 k( 369) = ( 0.4647436 0.4647436 0.5705128), wk = 0.0023753 k( 370) = ( 0.4615385 0.4615385 0.5769231), wk = 0.0023753 k( 371) = ( 0.4583333 0.4583333 0.5833333), wk = 0.0023753 k( 372) = ( 0.4551282 0.4551282 0.5897436), wk = 0.0023753 k( 373) = ( 0.4519231 0.4519231 0.5961539), wk = 0.0023753 k( 374) = ( 0.4487179 0.4487180 0.6025641), wk = 0.0023753 k( 375) = ( 0.4455128 0.4455128 0.6089744), wk = 0.0023753 k( 376) = ( 0.4423077 0.4423077 0.6153846), wk = 0.0023753 k( 377) = ( 0.4391026 0.4391026 0.6217949), wk = 0.0023753 k( 378) = ( 0.4358974 0.4358974 0.6282051), wk = 0.0023753 k( 379) = ( 0.4326923 0.4326923 0.6346154), wk = 0.0023753 k( 380) = ( 0.4294872 0.4294872 0.6410256), wk = 0.0023753 k( 381) = ( 0.4262821 0.4262821 0.6474359), wk = 0.0023753 k( 382) = ( 0.4230769 0.4230769 0.6538462), wk = 0.0023753 k( 383) = ( 0.4198718 0.4198718 0.6602564), wk = 0.0023753 k( 384) = ( 0.4166667 0.4166667 0.6666667), wk = 0.0023753 k( 385) = ( 0.4134615 0.4134615 0.6730769), wk = 0.0023753 k( 386) = ( 0.4102564 0.4102564 0.6794872), wk = 0.0023753 k( 387) = ( 0.4070513 0.4070513 0.6858974), wk = 0.0023753 k( 388) = ( 0.4038462 0.4038462 0.6923077), wk = 0.0023753 k( 389) = ( 0.4006410 0.4006410 0.6987180), wk = 0.0023753 k( 390) = ( 0.3974359 0.3974359 0.7051282), wk = 0.0023753 k( 391) = ( 0.3942308 0.3942308 0.7115385), wk = 0.0023753 k( 392) = ( 0.3910256 0.3910256 0.7179487), wk = 0.0023753 k( 393) = ( 0.3878205 0.3878205 0.7243590), wk = 0.0023753 k( 394) = ( 0.3846154 0.3846154 0.7307692), wk = 0.0023753 k( 395) = ( 0.3814103 0.3814103 0.7371795), wk = 0.0023753 k( 396) = ( 0.3782051 0.3782051 0.7435897), wk = 0.0023753 k( 397) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0023753 k( 398) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0023753 k( 399) = ( 0.6195652 0.2391304 0.6195652), wk = 0.0023753 k( 400) = ( 0.6141304 0.2282609 0.6141304), wk = 0.0023753 k( 401) = ( 0.6086957 0.2173913 0.6086957), wk = 0.0023753 k( 402) = ( 0.6032609 0.2065217 0.6032609), wk = 0.0023753 k( 403) = ( 0.5978261 0.1956522 0.5978261), wk = 0.0023753 k( 404) = ( 0.5923913 0.1847826 0.5923913), wk = 0.0023753 k( 405) = ( 0.5869565 0.1739130 0.5869565), wk = 0.0023753 k( 406) = ( 0.5815217 0.1630435 0.5815217), wk = 0.0023753 k( 407) = ( 0.5760870 0.1521739 0.5760870), wk = 0.0023753 k( 408) = ( 0.5706522 0.1413043 0.5706522), wk = 0.0023753 k( 409) = ( 0.5652174 0.1304348 0.5652174), wk = 0.0023753 k( 410) = ( 0.5597826 0.1195652 0.5597826), wk = 0.0023753 k( 411) = ( 0.5543478 0.1086957 0.5543478), wk = 0.0023753 k( 412) = ( 0.5489130 0.0978261 0.5489130), wk = 0.0023753 k( 413) = ( 0.5434783 0.0869565 0.5434783), wk = 0.0023753 k( 414) = ( 0.5380435 0.0760870 0.5380435), wk = 0.0023753 k( 415) = ( 0.5326087 0.0652174 0.5326087), wk = 0.0023753 k( 416) = ( 0.5271739 0.0543478 0.5271739), wk = 0.0023753 k( 417) = ( 0.5217391 0.0434783 0.5217391), wk = 0.0023753 k( 418) = ( 0.5163043 0.0326087 0.5163043), wk = 0.0023753 k( 419) = ( 0.5108696 0.0217391 0.5108696), wk = 0.0023753 k( 420) = ( 0.5054348 0.0108696 0.5054348), wk = 0.0023753 k( 421) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023753 Dense grid: 19891 G-vectors FFT dimensions: ( 40, 40, 40) Smooth grid: 7991 G-vectors FFT dimensions: ( 27, 27, 27) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.02 Mb ( 46, 26) NL pseudopotentials 0.02 Mb ( 23, 48) Each V/rho on FFT grid 0.02 Mb ( 1600) Each G-vector array 0.00 Mb ( 415) G-vector shells 0.00 Mb ( 177) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.07 Mb ( 46, 104) Each subspace H/S matrix 0.17 Mb ( 104, 104) Each matrix 0.04 Mb ( 48, 2, 26) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./InN.save/charge-density.dat Starting wfc are 26 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 41.3 secs Computing kpt #: 2 total cpu time spent up to now is 41.5 secs Computing kpt #: 3 total cpu time spent up to now is 41.7 secs Computing kpt #: 4 total cpu time spent up to now is 41.9 secs Computing kpt #: 5 total cpu time spent up to now is 42.1 secs Computing kpt #: 6 total cpu time spent up to now is 42.3 secs Computing kpt #: 7 total cpu time spent up to now is 42.6 secs Computing kpt #: 8 total cpu time spent up to now is 42.8 secs Computing kpt #: 9 total cpu time spent up to now is 43.0 secs Computing kpt #: 10 total cpu time spent up to now is 43.2 secs Computing kpt #: 11 total cpu time spent up to now is 43.5 secs Computing kpt #: 12 total cpu time spent up to now is 43.7 secs Computing kpt #: 13 total cpu time spent up to now is 43.9 secs Computing kpt #: 14 total cpu time spent up to now is 44.1 secs Computing kpt #: 15 total cpu time spent up to now is 44.3 secs Computing kpt #: 16 total cpu time spent up to now is 44.7 secs Computing kpt #: 17 total cpu time spent up to now is 44.9 secs Computing kpt #: 18 total cpu time spent up to now is 45.1 secs Computing kpt #: 19 total cpu time spent up to now is 45.4 secs Computing kpt #: 20 total cpu time spent up to now is 45.6 secs Computing kpt #: 21 total cpu time spent up to now is 45.8 secs Computing kpt #: 22 total cpu time spent up to now is 46.0 secs Computing kpt #: 23 total cpu time spent up to now is 46.2 secs Computing kpt #: 24 total cpu time spent up to now is 46.5 secs Computing kpt #: 25 total cpu time spent up to now is 46.7 secs Computing kpt #: 26 total cpu time spent up to now is 47.0 secs Computing kpt #: 27 total cpu time spent up to now is 47.4 secs Computing kpt #: 28 total cpu time spent up to now is 47.7 secs Computing kpt #: 29 total cpu time spent up to now is 47.9 secs Computing kpt #: 30 total cpu time spent up to now is 48.3 secs Computing kpt #: 31 total cpu time spent up to now is 49.0 secs Computing kpt #: 32 total cpu time spent up to now is 49.6 secs Computing kpt #: 33 total cpu time spent up to now is 50.1 secs Computing kpt #: 34 total cpu time spent up to now is 50.7 secs Computing kpt #: 35 total cpu time spent up to now is 51.7 secs Computing kpt #: 36 total cpu time spent up to now is 52.1 secs Computing kpt #: 37 total cpu time spent up to now is 52.3 secs Computing kpt #: 38 total cpu time spent up to now is 52.5 secs Computing kpt #: 39 total cpu time spent up to now is 53.2 secs Computing kpt #: 40 total cpu time spent up to now is 53.4 secs Computing kpt #: 41 total cpu time spent up to now is 53.7 secs Computing kpt #: 42 total cpu time spent up to now is 54.6 secs Computing kpt #: 43 total cpu time spent up to now is 55.0 secs Computing kpt #: 44 total cpu time spent up to now is 55.2 secs Computing kpt #: 45 total cpu time spent up to now is 55.9 secs Computing kpt #: 46 total cpu time spent up to now is 56.2 secs Computing kpt #: 47 total cpu time spent up to now is 56.5 secs Computing kpt #: 48 total cpu time spent up to now is 57.1 secs Computing kpt #: 49 total cpu time spent up to now is 57.3 secs Computing kpt #: 50 total cpu time spent up to now is 57.5 secs Computing kpt #: 51 total cpu time spent up to now is 58.0 secs Computing kpt #: 52 total cpu time spent up to now is 58.3 secs Computing kpt #: 53 total cpu time spent up to now is 58.6 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 59.6 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 60.1 secs Computing kpt #: 58 total cpu time spent up to now is 60.4 secs Computing kpt #: 59 total cpu time spent up to now is 61.0 secs Computing kpt #: 60 total cpu time spent up to now is 61.5 secs Computing kpt #: 61 total cpu time spent up to now is 62.3 secs Computing kpt #: 62 total cpu time spent up to now is 62.5 secs Computing kpt #: 63 total cpu time spent up to now is 63.1 secs Computing kpt #: 64 total cpu time spent up to now is 63.5 secs Computing kpt #: 65 total cpu time spent up to now is 63.7 secs Computing kpt #: 66 total cpu time spent up to now is 64.0 secs Computing kpt #: 67 total cpu time spent up to now is 64.2 secs Computing kpt #: 68 total cpu time spent up to now is 65.0 secs Computing kpt #: 69 total cpu time spent up to now is 65.3 secs Computing kpt #: 70 total cpu time spent up to now is 65.5 secs Computing kpt #: 71 total cpu time spent up to now is 65.7 secs Computing kpt #: 72 total cpu time spent up to now is 65.9 secs Computing kpt #: 73 total cpu time spent up to now is 66.1 secs Computing kpt #: 74 total cpu time spent up to now is 66.3 secs Computing kpt #: 75 total cpu time spent up to now is 66.5 secs Computing kpt #: 76 total cpu time spent up to now is 66.7 secs Computing kpt #: 77 total cpu time spent up to now is 67.0 secs Computing kpt #: 78 total cpu time spent up to now is 67.2 secs Computing kpt #: 79 total cpu time spent up to now is 67.4 secs Computing kpt #: 80 total cpu time spent up to now is 67.6 secs Computing kpt #: 81 total cpu time spent up to now is 67.8 secs Computing kpt #: 82 total cpu time spent up to now is 68.0 secs Computing kpt #: 83 total cpu time spent up to now is 68.2 secs Computing kpt #: 84 total cpu time spent up to now is 68.5 secs Computing kpt #: 85 total cpu time spent up to now is 68.7 secs Computing kpt #: 86 total cpu time spent up to now is 68.9 secs Computing kpt #: 87 total cpu time spent up to now is 69.1 secs Computing kpt #: 88 total cpu time spent up to now is 69.3 secs Computing kpt #: 89 total cpu time spent up to now is 69.5 secs Computing kpt #: 90 total cpu time spent up to now is 69.8 secs Computing kpt #: 91 total cpu time spent up to now is 70.0 secs Computing kpt #: 92 total cpu time spent up to now is 70.2 secs Computing kpt #: 93 total cpu time spent up to now is 70.4 secs Computing kpt #: 94 total cpu time spent up to now is 70.6 secs Computing kpt #: 95 total cpu time spent up to now is 70.8 secs Computing kpt #: 96 total cpu time spent up to now is 71.0 secs Computing kpt #: 97 total cpu time spent up to now is 71.3 secs Computing kpt #: 98 total cpu time spent up to now is 71.5 secs Computing kpt #: 99 total cpu time spent up to now is 71.7 secs Computing kpt #: 100 total cpu time spent up to now is 71.9 secs Computing kpt #: 101 total cpu time spent up to now is 72.1 secs Computing kpt #: 102 total cpu time spent up to now is 72.3 secs Computing kpt #: 103 total cpu time spent up to now is 72.5 secs Computing kpt #: 104 total cpu time spent up to now is 72.7 secs Computing kpt #: 105 total cpu time spent up to now is 72.9 secs Computing kpt #: 106 total cpu time spent up to now is 73.2 secs Computing kpt #: 107 total cpu time spent up to now is 73.4 secs Computing kpt #: 108 total cpu time spent up to now is 73.6 secs Computing kpt #: 109 total cpu time spent up to now is 74.6 secs Computing kpt #: 110 total cpu time spent up to now is 75.1 secs Computing kpt #: 111 total cpu time spent up to now is 75.5 secs Computing kpt #: 112 total cpu time spent up to now is 76.2 secs Computing kpt #: 113 total cpu time spent up to now is 76.7 secs Computing kpt #: 114 total cpu time spent up to now is 77.1 secs Computing kpt #: 115 total cpu time spent up to now is 77.4 secs Computing kpt #: 116 total cpu time spent up to now is 77.7 secs Computing kpt #: 117 total cpu time spent up to now is 78.0 secs Computing kpt #: 118 total cpu time spent up to now is 78.2 secs Computing kpt #: 119 total cpu time spent up to now is 78.6 secs Computing kpt #: 120 total cpu time spent up to now is 80.1 secs Computing kpt #: 121 total cpu time spent up to now is 80.7 secs Computing kpt #: 122 total cpu time spent up to now is 81.1 secs Computing kpt #: 123 total cpu time spent up to now is 81.4 secs Computing kpt #: 124 total cpu time spent up to now is 81.7 secs Computing kpt #: 125 total cpu time spent up to now is 82.0 secs Computing kpt #: 126 total cpu time spent up to now is 82.3 secs Computing kpt #: 127 total cpu time spent up to now is 82.6 secs Computing kpt #: 128 total cpu time spent up to now is 83.0 secs Computing kpt #: 129 total cpu time spent up to now is 83.5 secs Computing kpt #: 130 total cpu time spent up to now is 83.7 secs Computing kpt #: 131 total cpu time spent up to now is 84.0 secs Computing kpt #: 132 total cpu time spent up to now is 84.3 secs Computing kpt #: 133 total cpu time spent up to now is 84.8 secs Computing kpt #: 134 total cpu time spent up to now is 85.4 secs Computing kpt #: 135 total cpu time spent up to now is 86.1 secs Computing kpt #: 136 total cpu time spent up to now is 86.4 secs Computing kpt #: 137 total cpu time spent up to now is 86.9 secs Computing kpt #: 138 total cpu time spent up to now is 87.2 secs Computing kpt #: 139 total cpu time spent up to now is 87.5 secs Computing kpt #: 140 total cpu time spent up to now is 87.8 secs Computing kpt #: 141 total cpu time spent up to now is 88.0 secs Computing kpt #: 142 total cpu time spent up to now is 88.2 secs Computing kpt #: 143 total cpu time spent up to now is 88.5 secs Computing kpt #: 144 total cpu time spent up to now is 88.7 secs Computing kpt #: 145 total cpu time spent up to now is 88.9 secs Computing kpt #: 146 total cpu time spent up to now is 89.2 secs Computing kpt #: 147 total cpu time spent up to now is 89.4 secs Computing kpt #: 148 total cpu time spent up to now is 89.6 secs Computing kpt #: 149 total cpu time spent up to now is 89.8 secs Computing kpt #: 150 total cpu time spent up to now is 90.0 secs Computing kpt #: 151 total cpu time spent up to now is 90.2 secs Computing kpt #: 152 total cpu time spent up to now is 90.5 secs Computing kpt #: 153 total cpu time spent up to now is 90.7 secs Computing kpt #: 154 total cpu time spent up to now is 90.9 secs Computing kpt #: 155 total cpu time spent up to now is 91.1 secs Computing kpt #: 156 total cpu time spent up to now is 91.3 secs Computing kpt #: 157 total cpu time spent up to now is 91.5 secs Computing kpt #: 158 total cpu time spent up to now is 91.8 secs Computing kpt #: 159 total cpu time spent up to now is 92.0 secs Computing kpt #: 160 total cpu time spent up to now is 92.2 secs Computing kpt #: 161 total cpu time spent up to now is 92.4 secs Computing kpt #: 162 total cpu time spent up to now is 92.6 secs Computing kpt #: 163 total cpu time spent up to now is 92.9 secs Computing kpt #: 164 total cpu time spent up to now is 93.2 secs Computing kpt #: 165 total cpu time spent up to now is 93.5 secs Computing kpt #: 166 total cpu time spent up to now is 93.7 secs Computing kpt #: 167 total cpu time spent up to now is 94.1 secs Computing kpt #: 168 total cpu time spent up to now is 94.4 secs Computing kpt #: 169 total cpu time spent up to now is 94.8 secs Computing kpt #: 170 total cpu time spent up to now is 95.1 secs Computing kpt #: 171 total cpu time spent up to now is 95.3 secs Computing kpt #: 172 total cpu time spent up to now is 95.6 secs Computing kpt #: 173 total cpu time spent up to now is 95.8 secs Computing kpt #: 174 total cpu time spent up to now is 96.3 secs Computing kpt #: 175 total cpu time spent up to now is 96.9 secs Computing kpt #: 176 total cpu time spent up to now is 97.3 secs Computing kpt #: 177 total cpu time spent up to now is 97.5 secs Computing kpt #: 178 total cpu time spent up to now is 98.0 secs Computing kpt #: 179 total cpu time spent up to now is 98.5 secs Computing kpt #: 180 total cpu time spent up to now is 98.9 secs Computing kpt #: 181 total cpu time spent up to now is 99.6 secs Computing kpt #: 182 total cpu time spent up to now is 99.8 secs Computing kpt #: 183 total cpu time spent up to now is 100.2 secs Computing kpt #: 184 total cpu time spent up to now is 100.5 secs Computing kpt #: 185 total cpu time spent up to now is 101.1 secs Computing kpt #: 186 total cpu time spent up to now is 101.5 secs Computing kpt #: 187 total cpu time spent up to now is 101.9 secs Computing kpt #: 188 total cpu time spent up to now is 102.2 secs Computing kpt #: 189 total cpu time spent up to now is 102.7 secs Computing kpt #: 190 total cpu time spent up to now is 102.9 secs Computing kpt #: 191 total cpu time spent up to now is 103.1 secs Computing kpt #: 192 total cpu time spent up to now is 103.3 secs Computing kpt #: 193 total cpu time spent up to now is 103.5 secs Computing kpt #: 194 total cpu time spent up to now is 104.1 secs Computing kpt #: 195 total cpu time spent up to now is 104.3 secs Computing kpt #: 196 total cpu time spent up to now is 104.5 secs Computing kpt #: 197 total cpu time spent up to now is 104.7 secs Computing kpt #: 198 total cpu time spent up to now is 104.9 secs Computing kpt #: 199 total cpu time spent up to now is 105.1 secs Computing kpt #: 200 total cpu time spent up to now is 105.4 secs Computing kpt #: 201 total cpu time spent up to now is 105.6 secs Computing kpt #: 202 total cpu time spent up to now is 106.1 secs Computing kpt #: 203 total cpu time spent up to now is 106.3 secs Computing kpt #: 204 total cpu time spent up to now is 106.5 secs Computing kpt #: 205 total cpu time spent up to now is 106.7 secs Computing kpt #: 206 total cpu time spent up to now is 106.9 secs Computing kpt #: 207 total cpu time spent up to now is 107.1 secs Computing kpt #: 208 total cpu time spent up to now is 107.3 secs Computing kpt #: 209 total cpu time spent up to now is 107.6 secs Computing kpt #: 210 total cpu time spent up to now is 107.8 secs Computing kpt #: 211 total cpu time spent up to now is 109.0 secs Computing kpt #: 212 total cpu time spent up to now is 109.2 secs Computing kpt #: 213 total cpu time spent up to now is 109.4 secs Computing kpt #: 214 total cpu time spent up to now is 109.7 secs Computing kpt #: 215 total cpu time spent up to now is 110.1 secs Computing kpt #: 216 total cpu time spent up to now is 110.6 secs Computing kpt #: 217 total cpu time spent up to now is 111.4 secs Computing kpt #: 218 total cpu time spent up to now is 112.1 secs Computing kpt #: 219 total cpu time spent up to now is 112.5 secs Computing kpt #: 220 total cpu time spent up to now is 114.3 secs Computing kpt #: 221 total cpu time spent up to now is 115.0 secs Computing kpt #: 222 total cpu time spent up to now is 115.5 secs Computing kpt #: 223 total cpu time spent up to now is 116.3 secs Computing kpt #: 224 total cpu time spent up to now is 117.9 secs Computing kpt #: 225 total cpu time spent up to now is 118.1 secs Computing kpt #: 226 total cpu time spent up to now is 118.3 secs Computing kpt #: 227 total cpu time spent up to now is 118.6 secs Computing kpt #: 228 total cpu time spent up to now is 118.8 secs Computing kpt #: 229 total cpu time spent up to now is 119.0 secs Computing kpt #: 230 total cpu time spent up to now is 119.4 secs Computing kpt #: 231 total cpu time spent up to now is 119.7 secs Computing kpt #: 232 total cpu time spent up to now is 119.9 secs Computing kpt #: 233 total cpu time spent up to now is 120.1 secs Computing kpt #: 234 total cpu time spent up to now is 120.3 secs Computing kpt #: 235 total cpu time spent up to now is 120.5 secs Computing kpt #: 236 total cpu time spent up to now is 120.7 secs Computing kpt #: 237 total cpu time spent up to now is 120.9 secs Computing kpt #: 238 total cpu time spent up to now is 121.1 secs Computing kpt #: 239 total cpu time spent up to now is 121.3 secs Computing kpt #: 240 total cpu time spent up to now is 121.5 secs Computing kpt #: 241 total cpu time spent up to now is 122.2 secs Computing kpt #: 242 total cpu time spent up to now is 122.4 secs Computing kpt #: 243 total cpu time spent up to now is 122.6 secs Computing kpt #: 244 total cpu time spent up to now is 122.8 secs Computing kpt #: 245 total cpu time spent up to now is 123.0 secs Computing kpt #: 246 total cpu time spent up to now is 123.2 secs Computing kpt #: 247 total cpu time spent up to now is 123.4 secs Computing kpt #: 248 total cpu time spent up to now is 123.6 secs Computing kpt #: 249 total cpu time spent up to now is 123.8 secs Computing kpt #: 250 total cpu time spent up to now is 124.0 secs Computing kpt #: 251 total cpu time spent up to now is 124.2 secs Computing kpt #: 252 total cpu time spent up to now is 124.5 secs Computing kpt #: 253 total cpu time spent up to now is 125.2 secs Computing kpt #: 254 total cpu time spent up to now is 125.6 secs Computing kpt #: 255 total cpu time spent up to now is 126.0 secs Computing kpt #: 256 total cpu time spent up to now is 126.5 secs Computing kpt #: 257 total cpu time spent up to now is 127.1 secs Computing kpt #: 258 total cpu time spent up to now is 127.8 secs Computing kpt #: 259 total cpu time spent up to now is 128.3 secs Computing kpt #: 260 total cpu time spent up to now is 129.3 secs Computing kpt #: 261 total cpu time spent up to now is 130.0 secs Computing kpt #: 262 total cpu time spent up to now is 130.7 secs Computing kpt #: 263 total cpu time spent up to now is 131.3 secs Computing kpt #: 264 total cpu time spent up to now is 131.7 secs Computing kpt #: 265 total cpu time spent up to now is 132.3 secs Computing kpt #: 266 total cpu time spent up to now is 133.1 secs Computing kpt #: 267 total cpu time spent up to now is 133.3 secs Computing kpt #: 268 total cpu time spent up to now is 133.5 secs Computing kpt #: 269 total cpu time spent up to now is 133.7 secs Computing kpt #: 270 total cpu time spent up to now is 133.9 secs Computing kpt #: 271 total cpu time spent up to now is 134.1 secs Computing kpt #: 272 total cpu time spent up to now is 134.3 secs Computing kpt #: 273 total cpu time spent up to now is 134.5 secs Computing kpt #: 274 total cpu time spent up to now is 134.7 secs Computing kpt #: 275 total cpu time spent up to now is 135.0 secs Computing kpt #: 276 total cpu time spent up to now is 135.2 secs Computing kpt #: 277 total cpu time spent up to now is 135.4 secs Computing kpt #: 278 total cpu time spent up to now is 135.6 secs Computing kpt #: 279 total cpu time spent up to now is 136.0 secs Computing kpt #: 280 total cpu time spent up to now is 136.2 secs Computing kpt #: 281 total cpu time spent up to now is 137.1 secs Computing kpt #: 282 total cpu time spent up to now is 137.3 secs Computing kpt #: 283 total cpu time spent up to now is 137.5 secs Computing kpt #: 284 total cpu time spent up to now is 137.7 secs Computing kpt #: 285 total cpu time spent up to now is 138.0 secs Computing kpt #: 286 total cpu time spent up to now is 138.2 secs Computing kpt #: 287 total cpu time spent up to now is 138.5 secs Computing kpt #: 288 total cpu time spent up to now is 138.7 secs Computing kpt #: 289 total cpu time spent up to now is 139.1 secs Computing kpt #: 290 total cpu time spent up to now is 139.5 secs Computing kpt #: 291 total cpu time spent up to now is 139.7 secs Computing kpt #: 292 total cpu time spent up to now is 140.0 secs Computing kpt #: 293 total cpu time spent up to now is 140.3 secs Computing kpt #: 294 total cpu time spent up to now is 140.7 secs Computing kpt #: 295 total cpu time spent up to now is 141.2 secs Computing kpt #: 296 total cpu time spent up to now is 141.7 secs Computing kpt #: 297 total cpu time spent up to now is 142.4 secs Computing kpt #: 298 total cpu time spent up to now is 142.8 secs Computing kpt #: 299 total cpu time spent up to now is 143.4 secs Computing kpt #: 300 total cpu time spent up to now is 144.1 secs Computing kpt #: 301 total cpu time spent up to now is 144.7 secs Computing kpt #: 302 total cpu time spent up to now is 144.9 secs Computing kpt #: 303 total cpu time spent up to now is 145.3 secs Computing kpt #: 304 total cpu time spent up to now is 146.1 secs Computing kpt #: 305 total cpu time spent up to now is 146.5 secs Computing kpt #: 306 total cpu time spent up to now is 146.8 secs Computing kpt #: 307 total cpu time spent up to now is 147.4 secs Computing kpt #: 308 total cpu time spent up to now is 147.9 secs Computing kpt #: 309 total cpu time spent up to now is 149.0 secs Computing kpt #: 310 total cpu time spent up to now is 149.5 secs Computing kpt #: 311 total cpu time spent up to now is 149.8 secs Computing kpt #: 312 total cpu time spent up to now is 150.4 secs Computing kpt #: 313 total cpu time spent up to now is 151.0 secs Computing kpt #: 314 total cpu time spent up to now is 151.4 secs Computing kpt #: 315 total cpu time spent up to now is 151.8 secs Computing kpt #: 316 total cpu time spent up to now is 152.1 secs Computing kpt #: 317 total cpu time spent up to now is 152.4 secs Computing kpt #: 318 total cpu time spent up to now is 152.7 secs Computing kpt #: 319 total cpu time spent up to now is 152.9 secs Computing kpt #: 320 total cpu time spent up to now is 153.2 secs Computing kpt #: 321 total cpu time spent up to now is 153.4 secs Computing kpt #: 322 total cpu time spent up to now is 153.6 secs Computing kpt #: 323 total cpu time spent up to now is 153.8 secs Computing kpt #: 324 total cpu time spent up to now is 154.0 secs Computing kpt #: 325 total cpu time spent up to now is 154.2 secs Computing kpt #: 326 total cpu time spent up to now is 154.4 secs Computing kpt #: 327 total cpu time spent up to now is 154.6 secs Computing kpt #: 328 total cpu time spent up to now is 154.8 secs Computing kpt #: 329 total cpu time spent up to now is 155.2 secs Computing kpt #: 330 total cpu time spent up to now is 155.5 secs Computing kpt #: 331 total cpu time spent up to now is 155.9 secs Computing kpt #: 332 total cpu time spent up to now is 156.2 secs Computing kpt #: 333 total cpu time spent up to now is 156.6 secs Computing kpt #: 334 total cpu time spent up to now is 156.9 secs Computing kpt #: 335 total cpu time spent up to now is 157.3 secs Computing kpt #: 336 total cpu time spent up to now is 157.6 secs Computing kpt #: 337 total cpu time spent up to now is 158.2 secs Computing kpt #: 338 total cpu time spent up to now is 158.8 secs Computing kpt #: 339 total cpu time spent up to now is 159.2 secs Computing kpt #: 340 total cpu time spent up to now is 159.6 secs Computing kpt #: 341 total cpu time spent up to now is 160.2 secs Computing kpt #: 342 total cpu time spent up to now is 160.7 secs Computing kpt #: 343 total cpu time spent up to now is 161.0 secs Computing kpt #: 344 total cpu time spent up to now is 161.6 secs Computing kpt #: 345 total cpu time spent up to now is 162.3 secs Computing kpt #: 346 total cpu time spent up to now is 162.6 secs Computing kpt #: 347 total cpu time spent up to now is 163.0 secs Computing kpt #: 348 total cpu time spent up to now is 164.0 secs Computing kpt #: 349 total cpu time spent up to now is 164.3 secs Computing kpt #: 350 total cpu time spent up to now is 165.1 secs Computing kpt #: 351 total cpu time spent up to now is 165.4 secs Computing kpt #: 352 total cpu time spent up to now is 165.8 secs Computing kpt #: 353 total cpu time spent up to now is 166.3 secs Computing kpt #: 354 total cpu time spent up to now is 166.8 secs Computing kpt #: 355 total cpu time spent up to now is 167.2 secs Computing kpt #: 356 total cpu time spent up to now is 167.5 secs Computing kpt #: 357 total cpu time spent up to now is 168.1 secs Computing kpt #: 358 total cpu time spent up to now is 168.5 secs Computing kpt #: 359 total cpu time spent up to now is 168.9 secs Computing kpt #: 360 total cpu time spent up to now is 169.9 secs Computing kpt #: 361 total cpu time spent up to now is 170.1 secs Computing kpt #: 362 total cpu time spent up to now is 170.4 secs Computing kpt #: 363 total cpu time spent up to now is 170.8 secs Computing kpt #: 364 total cpu time spent up to now is 171.3 secs Computing kpt #: 365 total cpu time spent up to now is 171.5 secs Computing kpt #: 366 total cpu time spent up to now is 171.7 secs Computing kpt #: 367 total cpu time spent up to now is 171.9 secs Computing kpt #: 368 total cpu time spent up to now is 172.1 secs Computing kpt #: 369 total cpu time spent up to now is 172.3 secs Computing kpt #: 370 total cpu time spent up to now is 172.5 secs Computing kpt #: 371 total cpu time spent up to now is 172.7 secs Computing kpt #: 372 total cpu time spent up to now is 173.0 secs Computing kpt #: 373 total cpu time spent up to now is 173.2 secs Computing kpt #: 374 total cpu time spent up to now is 173.4 secs Computing kpt #: 375 total cpu time spent up to now is 173.6 secs Computing kpt #: 376 total cpu time spent up to now is 173.8 secs Computing kpt #: 377 total cpu time spent up to now is 174.0 secs Computing kpt #: 378 total cpu time spent up to now is 174.2 secs Computing kpt #: 379 total cpu time spent up to now is 174.4 secs Computing kpt #: 380 total cpu time spent up to now is 174.6 secs Computing kpt #: 381 total cpu time spent up to now is 174.8 secs Computing kpt #: 382 total cpu time spent up to now is 175.0 secs Computing kpt #: 383 total cpu time spent up to now is 175.2 secs Computing kpt #: 384 total cpu time spent up to now is 175.4 secs Computing kpt #: 385 total cpu time spent up to now is 175.7 secs Computing kpt #: 386 total cpu time spent up to now is 175.9 secs Computing kpt #: 387 total cpu time spent up to now is 176.1 secs Computing kpt #: 388 total cpu time spent up to now is 176.3 secs Computing kpt #: 389 total cpu time spent up to now is 176.5 secs Computing kpt #: 390 total cpu time spent up to now is 176.7 secs Computing kpt #: 391 total cpu time spent up to now is 177.0 secs Computing kpt #: 392 total cpu time spent up to now is 177.2 secs Computing kpt #: 393 total cpu time spent up to now is 178.0 secs Computing kpt #: 394 total cpu time spent up to now is 178.6 secs Computing kpt #: 395 total cpu time spent up to now is 179.4 secs Computing kpt #: 396 total cpu time spent up to now is 179.7 secs Computing kpt #: 397 total cpu time spent up to now is 180.2 secs Computing kpt #: 398 total cpu time spent up to now is 180.7 secs Computing kpt #: 399 total cpu time spent up to now is 181.1 secs Computing kpt #: 400 total cpu time spent up to now is 181.6 secs Computing kpt #: 401 total cpu time spent up to now is 182.0 secs Computing kpt #: 402 total cpu time spent up to now is 182.2 secs Computing kpt #: 403 total cpu time spent up to now is 182.6 secs Computing kpt #: 404 total cpu time spent up to now is 183.0 secs Computing kpt #: 405 total cpu time spent up to now is 184.0 secs Computing kpt #: 406 total cpu time spent up to now is 184.7 secs Computing kpt #: 407 total cpu time spent up to now is 185.2 secs Computing kpt #: 408 total cpu time spent up to now is 185.9 secs Computing kpt #: 409 total cpu time spent up to now is 186.5 secs Computing kpt #: 410 total cpu time spent up to now is 187.3 secs Computing kpt #: 411 total cpu time spent up to now is 187.9 secs Computing kpt #: 412 total cpu time spent up to now is 188.4 secs Computing kpt #: 413 total cpu time spent up to now is 188.8 secs Computing kpt #: 414 total cpu time spent up to now is 189.1 secs Computing kpt #: 415 total cpu time spent up to now is 189.3 secs Computing kpt #: 416 total cpu time spent up to now is 189.5 secs Computing kpt #: 417 total cpu time spent up to now is 189.7 secs Computing kpt #: 418 total cpu time spent up to now is 189.9 secs Computing kpt #: 419 total cpu time spent up to now is 190.1 secs Computing kpt #: 420 total cpu time spent up to now is 190.4 secs Computing kpt #: 421 total cpu time spent up to now is 190.6 secs ethr = 5.56E-11, avg # of iterations = 14.2 total cpu time spent up to now is 190.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 965 PWs) bands (ev): -4.8563 -4.8563 -3.9699 -3.9699 -3.9699 -3.9699 -3.2794 -3.2794 -2.9903 -2.9903 -2.9903 -2.9903 9.5383 9.5383 9.8788 9.8788 9.8800 9.8800 9.8800 9.8800 18.8794 18.8794 19.6669 19.6669 19.6669 19.6669 k = 0.0078-0.0045 0.0064 ( 965 PWs) bands (ev): -4.8564 -4.8564 -3.9703 -3.9703 -3.9686 -3.9686 -3.2790 -3.2790 -2.9913 -2.9913 -2.9893 -2.9893 9.5104 9.5104 9.8763 9.8763 9.8795 9.8795 9.9081 9.9081 18.8785 18.8785 19.6630 19.6630 19.6675 19.6675 k = 0.0156-0.0090 0.0128 ( 965 PWs) bands (ev): -4.8567 -4.8567 -3.9702 -3.9702 -3.9662 -3.9662 -3.2779 -3.2779 -2.9921 -2.9921 -2.9881 -2.9881 9.4439 9.4439 9.8698 9.8698 9.8762 9.8762 9.9759 9.9759 18.8755 18.8755 19.6515 19.6515 19.6692 19.6692 k = 0.0234-0.0135 0.0191 ( 965 PWs) bands (ev): -4.8573 -4.8573 -3.9696 -3.9696 -3.9625 -3.9625 -3.2760 -3.2760 -2.9929 -2.9929 -2.9867 -2.9867 9.3608 9.3608 9.8601 9.8601 9.8696 9.8696 10.0614 10.0614 18.8703 18.8703 19.6330 19.6330 19.6720 19.6720 k = 0.0312-0.0180 0.0255 ( 969 PWs) bands (ev): -4.8581 -4.8581 -3.9688 -3.9688 -3.9575 -3.9575 -3.2733 -3.2733 -2.9937 -2.9937 -2.9851 -2.9851 9.2706 9.2706 9.8471 9.8471 9.8597 9.8597 10.1546 10.1546 18.8621 18.8621 19.6085 19.6085 19.6760 19.6760 k = 0.0391-0.0226 0.0319 ( 981 PWs) bands (ev): -4.8592 -4.8592 -3.9677 -3.9677 -3.9511 -3.9511 -3.2699 -3.2699 -2.9945 -2.9945 -2.9832 -2.9832 9.1774 9.1774 9.8309 9.8309 9.8466 9.8466 10.2518 10.2518 18.8503 18.8503 19.5796 19.5796 19.6812 19.6812 k = 0.0469-0.0271 0.0383 ( 981 PWs) bands (ev): -4.8604 -4.8604 -3.9663 -3.9663 -3.9432 -3.9432 -3.2656 -3.2656 -2.9953 -2.9953 -2.9809 -2.9809 9.0827 9.0827 9.8116 9.8116 9.8305 9.8305 10.3513 10.3513 18.8336 18.8336 19.5480 19.5480 19.6876 19.6876 k = 0.0547-0.0316 0.0447 ( 982 PWs) bands (ev): -4.8620 -4.8620 -3.9646 -3.9646 -3.9341 -3.9341 -3.2606 -3.2606 -2.9962 -2.9962 -2.9783 -2.9783 8.9874 8.9874 9.7893 9.7893 9.8114 9.8114 10.4522 10.4522 18.8109 18.8109 19.5159 19.5159 19.6953 19.6953 k = 0.0625-0.0361 0.0510 ( 986 PWs) bands (ev): -4.8638 -4.8638 -3.9626 -3.9626 -3.9237 -3.9237 -3.2547 -3.2547 -2.9970 -2.9970 -2.9753 -2.9753 8.8920 8.8920 9.7640 9.7640 9.7893 9.7893 10.5540 10.5540 18.7808 18.7808 19.4855 19.4855 19.7043 19.7043 k = 0.0703-0.0406 0.0574 ( 990 PWs) bands (ev): -4.8658 -4.8658 -3.9605 -3.9605 -3.9120 -3.9120 -3.2481 -3.2481 -2.9980 -2.9980 -2.9719 -2.9719 8.7966 8.7966 9.7357 9.7357 9.7642 9.7642 10.6563 10.6563 18.7419 18.7419 19.4588 19.4588 19.7147 19.7147 k = 0.0781-0.0451 0.0638 ( 990 PWs) bands (ev): -4.8681 -4.8681 -3.9581 -3.9581 -3.8991 -3.8991 -3.2405 -3.2405 -2.9989 -2.9989 -2.9680 -2.9680 8.7014 8.7014 9.7047 9.7047 9.7364 9.7364 10.7589 10.7589 18.6936 18.6936 19.4376 19.4376 19.7265 19.7265 k = 0.0859-0.0496 0.0702 ( 990 PWs) bands (ev): -4.8707 -4.8707 -3.9554 -3.9554 -3.8851 -3.8851 -3.2322 -3.2322 -2.9999 -2.9999 -2.9636 -2.9636 8.6065 8.6065 9.6710 9.6710 9.7059 9.7059 10.8617 10.8617 18.6357 18.6357 19.4227 19.4227 19.7398 19.7398 k = 0.0938-0.0541 0.0765 ( 1002 PWs) bands (ev): -4.8736 -4.8736 -3.9526 -3.9526 -3.8700 -3.8700 -3.2231 -3.2231 -3.0009 -3.0009 -2.9587 -2.9587 8.5119 8.5119 9.6345 9.6345 9.6725 9.6725 10.9644 10.9644 18.5686 18.5686 19.4145 19.4145 19.7545 19.7545 k = 0.1016-0.0586 0.0829 ( 1002 PWs) bands (ev): -4.8767 -4.8767 -3.9496 -3.9496 -3.8540 -3.8540 -3.2131 -3.2131 -3.0019 -3.0019 -2.9530 -2.9530 8.4177 8.4177 9.5957 9.5957 9.6369 9.6369 11.0669 11.0669 18.4932 18.4932 19.4128 19.4128 19.7708 19.7708 k = 0.1094-0.0631 0.0893 ( 1002 PWs) bands (ev): -4.8802 -4.8802 -3.9463 -3.9463 -3.8371 -3.8371 -3.2023 -3.2023 -3.0029 -3.0029 -2.9466 -2.9466 8.3240 8.3240 9.5545 9.5545 9.5990 9.5990 11.1690 11.1690 18.4107 18.4107 19.4171 19.4171 19.7888 19.7888 k = 0.1172-0.0677 0.0957 ( 994 PWs) bands (ev): -4.8838 -4.8838 -3.9429 -3.9429 -3.8193 -3.8193 -3.1907 -3.1907 -3.0038 -3.0038 -2.9392 -2.9392 8.2308 8.2308 9.5113 9.5113 9.5589 9.5589 11.2707 11.2707 18.3224 18.3224 19.4266 19.4266 19.8083 19.8083 k = 0.1250-0.0722 0.1021 ( 994 PWs) bands (ev): -4.8878 -4.8878 -3.9393 -3.9393 -3.8009 -3.8009 -3.1785 -3.1785 -3.0047 -3.0047 -2.9309 -2.9309 8.1380 8.1380 9.4659 9.4659 9.5166 9.5166 11.3717 11.3717 18.2294 18.2294 19.4408 19.4408 19.8295 19.8295 k = 0.1328-0.0767 0.1084 ( 994 PWs) bands (ev): -4.8920 -4.8920 -3.9356 -3.9356 -3.7820 -3.7820 -3.1658 -3.1658 -3.0055 -3.0055 -2.9213 -2.9213 8.0456 8.0456 9.4185 9.4185 9.4724 9.4724 11.4718 11.4718 18.1327 18.1327 19.4592 19.4592 19.8524 19.8524 k = 0.1406-0.0812 0.1148 ( 994 PWs) bands (ev): -4.8966 -4.8966 -3.9318 -3.9318 -3.7627 -3.7627 -3.1527 -3.1527 -3.0062 -3.0062 -2.9104 -2.9104 7.9536 7.9536 9.3694 9.3694 9.4263 9.4263 11.5709 11.5709 18.0334 18.0334 19.4812 19.4812 19.8770 19.8770 k = 0.1484-0.0857 0.1212 ( 994 PWs) bands (ev): -4.9013 -4.9013 -3.9278 -3.9278 -3.7432 -3.7432 -3.1393 -3.1393 -3.0067 -3.0067 -2.8979 -2.8979 7.8620 7.8620 9.3186 9.3186 9.3786 9.3786 11.6688 11.6688 17.9321 17.9321 19.5065 19.5065 19.9034 19.9034 k = 0.1562-0.0902 0.1276 ( 998 PWs) bands (ev): -4.9063 -4.9063 -3.9238 -3.9238 -3.7234 -3.7234 -3.1260 -3.1260 -3.0071 -3.0071 -2.8834 -2.8834 7.7708 7.7708 9.2664 9.2664 9.3293 9.3293 11.7652 11.7652 17.8296 17.8296 19.5347 19.5347 19.9314 19.9314 k = 0.1641-0.0947 0.1340 ( 998 PWs) bands (ev): -4.9116 -4.9116 -3.9197 -3.9197 -3.7036 -3.7036 -3.1130 -3.1130 -3.0070 -3.0070 -2.8668 -2.8668 7.6800 7.6800 9.2128 9.2128 9.2786 9.2786 11.8601 11.8601 17.7264 17.7264 19.5657 19.5657 19.9612 19.9612 k = 0.1719-0.0992 0.1403 ( 998 PWs) bands (ev): -4.9171 -4.9171 -3.9155 -3.9155 -3.6839 -3.6839 -3.1006 -3.1006 -3.0065 -3.0065 -2.8477 -2.8477 7.5896 7.5896 9.1580 9.1580 9.2267 9.2267 11.9531 11.9531 17.6232 17.6232 19.5991 19.5991 19.9927 19.9927 k = 0.1797-0.1037 0.1467 ( 998 PWs) bands (ev): -4.9228 -4.9228 -3.9113 -3.9113 -3.6644 -3.6644 -3.0891 -3.0891 -3.0053 -3.0053 -2.8260 -2.8260 7.4996 7.4996 9.1022 9.1022 9.1736 9.1736 12.0440 12.0440 17.5204 17.5204 19.6349 19.6349 20.0258 20.0258 k = 0.1875-0.1083 0.1531 ( 998 PWs) bands (ev): -4.9287 -4.9287 -3.9070 -3.9070 -3.6452 -3.6452 -3.0789 -3.0789 -3.0035 -3.0035 -2.8014 -2.8014 7.4099 7.4099 9.0455 9.0455 9.1196 9.1196 12.1326 12.1326 17.4185 17.4185 19.6728 19.6728 20.0606 20.0606 k = 0.1953-0.1128 0.1595 ( 998 PWs) bands (ev): -4.9348 -4.9348 -3.9028 -3.9028 -3.6264 -3.6264 -3.0702 -3.0702 -3.0006 -3.0006 -2.7738 -2.7738 7.3205 7.3205 8.9880 8.9880 9.0648 9.0648 12.2187 12.2187 17.3180 17.3180 19.7126 19.7126 20.0971 20.0971 k = 0.2031-0.1173 0.1659 ( 998 PWs) bands (ev): -4.9410 -4.9410 -3.8985 -3.8985 -3.6080 -3.6080 -3.0631 -3.0631 -2.9968 -2.9968 -2.7432 -2.7432 7.2314 7.2314 8.9299 8.9299 9.0093 9.0093 12.3019 12.3019 17.2192 17.2192 19.7543 19.7543 20.1351 20.1351 k = 0.2109-0.1218 0.1722 ( 998 PWs) bands (ev): -4.9474 -4.9474 -3.8943 -3.8943 -3.5902 -3.5902 -3.0575 -3.0575 -2.9921 -2.9921 -2.7097 -2.7097 7.1427 7.1427 8.8715 8.8715 8.9533 8.9533 12.3818 12.3818 17.1225 17.1225 19.7977 19.7977 20.1745 20.1745 k = 0.2188-0.1263 0.1786 ( 998 PWs) bands (ev): -4.9540 -4.9540 -3.8901 -3.8901 -3.5729 -3.5729 -3.0534 -3.0534 -2.9864 -2.9864 -2.6732 -2.6732 7.0542 7.0542 8.8127 8.8127 8.8969 8.8969 12.4583 12.4583 17.0284 17.0284 19.8427 19.8427 20.2154 20.2154 k = 0.2266-0.1308 0.1850 ( 998 PWs) bands (ev): -4.9606 -4.9606 -3.8860 -3.8860 -3.5561 -3.5561 -3.0504 -3.0504 -2.9802 -2.9802 -2.6339 -2.6339 6.9661 6.9661 8.7538 8.7538 8.8403 8.8403 12.5311 12.5311 16.9373 16.9373 19.8890 19.8890 20.2571 20.2571 k = 0.2344-0.1353 0.1914 ( 998 PWs) bands (ev): -4.9674 -4.9674 -3.8819 -3.8819 -3.5400 -3.5400 -3.0482 -3.0482 -2.9735 -2.9735 -2.5921 -2.5921 6.8782 6.8782 8.6949 8.6949 8.7836 8.7836 12.5997 12.5997 16.8494 16.8494 19.9364 19.9364 20.2147 20.2147 k = 0.2422-0.1398 0.1977 ( 998 PWs) bands (ev): -4.9742 -4.9742 -3.8780 -3.8780 -3.5244 -3.5244 -3.0465 -3.0465 -2.9665 -2.9665 -2.5478 -2.5478 6.7908 6.7908 8.6361 8.6361 8.7270 8.7270 12.6640 12.6640 16.7652 16.7652 19.9835 19.9835 20.0990 20.0990 k = 0.2500-0.1443 0.2041 ( 998 PWs) bands (ev): -4.9811 -4.9811 -3.8741 -3.8741 -3.5095 -3.5095 -3.0453 -3.0453 -2.9594 -2.9594 -2.5013 -2.5013 6.7036 6.7036 8.5776 8.5776 8.6704 8.6704 12.7236 12.7236 16.6850 16.6850 19.9769 19.9769 20.0445 20.0445 k = 0.2578-0.1488 0.2105 ( 998 PWs) bands (ev): -4.9880 -4.9880 -3.8704 -3.8704 -3.4952 -3.4952 -3.0443 -3.0443 -2.9523 -2.9523 -2.4526 -2.4526 6.6168 6.6168 8.5195 8.5195 8.6142 8.6142 12.7783 12.7783 16.6090 16.6090 19.8771 19.8771 20.0909 20.0909 k = 0.2656-0.1534 0.2169 ( 1018 PWs) bands (ev): -4.9949 -4.9949 -3.8670 -3.8670 -3.4815 -3.4815 -3.0435 -3.0435 -2.9453 -2.9453 -2.4022 -2.4022 6.5302 6.5302 8.4617 8.4617 8.5583 8.5583 12.8275 12.8275 16.5376 16.5376 19.7800 19.7800 20.1423 20.1423 k = 0.2734-0.1579 0.2233 ( 1018 PWs) bands (ev): -5.0019 -5.0019 -3.8635 -3.8635 -3.4684 -3.4684 -3.0427 -3.0427 -2.9382 -2.9382 -2.3500 -2.3500 6.4443 6.4443 8.4047 8.4047 8.5030 8.5030 12.8716 12.8716 16.4710 16.4710 19.6893 19.6893 20.1950 20.1950 k = 0.2812-0.1624 0.2296 ( 1018 PWs) bands (ev): -5.0088 -5.0088 -3.8602 -3.8602 -3.4558 -3.4558 -3.0418 -3.0418 -2.9312 -2.9312 -2.2963 -2.2963 6.3589 6.3589 8.3485 8.3485 8.4485 8.4485 12.9101 12.9101 16.4094 16.4094 19.6052 19.6052 20.2484 20.2484 k = 0.2891-0.1669 0.2360 ( 1018 PWs) bands (ev): -5.0157 -5.0157 -3.8571 -3.8571 -3.4437 -3.4437 -3.0410 -3.0410 -2.9242 -2.9242 -2.2413 -2.2413 6.2740 6.2740 8.2931 8.2931 8.3947 8.3947 12.9430 12.9430 16.3528 16.3528 19.5277 19.5277 20.3024 20.3024 k = 0.2969-0.1714 0.2424 ( 1018 PWs) bands (ev): -5.0225 -5.0225 -3.8542 -3.8542 -3.4322 -3.4322 -3.0400 -3.0400 -2.9173 -2.9173 -2.1852 -2.1852 6.1898 6.1898 8.2388 8.2388 8.3418 8.3418 12.9702 12.9702 16.3013 16.3013 19.4568 19.4568 20.3567 20.3567 k = 0.3047-0.1759 0.2488 ( 1018 PWs) bands (ev): -5.0292 -5.0292 -3.8514 -3.8514 -3.4212 -3.4212 -3.0390 -3.0390 -2.9105 -2.9105 -2.1282 -2.1282 6.1064 6.1064 8.1855 8.1855 8.2900 8.2900 12.9919 12.9919 16.2549 16.2549 19.3923 19.3923 20.4112 20.4112 k = 0.3125-0.1804 0.2552 ( 1018 PWs) bands (ev): -5.0358 -5.0358 -3.8488 -3.8488 -3.4107 -3.4107 -3.0380 -3.0380 -2.9037 -2.9037 -2.0705 -2.0705 6.0237 6.0237 8.1335 8.1335 8.2392 8.2392 13.0081 13.0081 16.2134 16.2134 19.3342 19.3342 20.4657 20.4657 k = 0.3203-0.1849 0.2615 ( 1018 PWs) bands (ev): -5.0424 -5.0424 -3.8464 -3.8464 -3.4007 -3.4007 -3.0368 -3.0368 -2.8971 -2.8971 -2.0123 -2.0123 5.9421 5.9421 8.0828 8.0828 8.1897 8.1897 13.0191 13.0191 16.1767 16.1767 19.2822 19.2822 20.5201 20.5201 k = 0.3281-0.1894 0.2679 ( 1018 PWs) bands (ev): -5.0487 -5.0487 -3.8441 -3.8441 -3.3912 -3.3912 -3.0355 -3.0355 -2.8906 -2.8906 -1.9538 -1.9538 5.8615 5.8615 8.0335 8.0335 8.1416 8.1416 13.0252 13.0252 16.1444 16.1444 19.2363 19.2363 20.5742 20.5742 k = 0.3359-0.1940 0.2743 ( 1018 PWs) bands (ev): -5.0550 -5.0550 -3.8420 -3.8420 -3.3821 -3.3821 -3.0342 -3.0342 -2.8842 -2.8842 -1.8952 -1.8952 5.7821 5.7821 7.9857 7.9857 8.0948 8.0948 13.0268 13.0268 16.1163 16.1163 19.1961 19.1961 20.6278 20.6278 k = 0.3438-0.1985 0.2807 ( 1026 PWs) bands (ev): -5.0611 -5.0611 -3.8402 -3.8402 -3.3736 -3.3736 -3.0328 -3.0328 -2.8780 -2.8780 -1.8368 -1.8368 5.7041 5.7041 7.9394 7.9394 8.0496 8.0496 13.0242 13.0242 16.0920 16.0920 19.1614 19.1614 20.6806 20.6806 k = 0.3516-0.2030 0.2870 ( 1026 PWs) bands (ev): -5.0669 -5.0669 -3.8385 -3.8385 -3.3655 -3.3655 -3.0313 -3.0313 -2.8720 -2.8720 -1.7787 -1.7787 5.6276 5.6276 7.8949 7.8949 8.0060 8.0060 13.0180 13.0180 16.0712 16.0712 19.1321 19.1321 20.7327 20.7327 k = 0.3594-0.2075 0.2934 ( 1026 PWs) bands (ev): -5.0726 -5.0726 -3.8369 -3.8369 -3.3578 -3.3578 -3.0298 -3.0298 -2.8661 -2.8661 -1.7213 -1.7213 5.5530 5.5530 7.8521 7.8521 7.9641 7.9641 13.0087 13.0087 16.0535 16.0535 19.1076 19.1076 20.7837 20.7837 k = 0.3672-0.2120 0.2998 ( 1026 PWs) bands (ev): -5.0781 -5.0781 -3.8355 -3.8355 -3.3506 -3.3506 -3.0282 -3.0282 -2.8604 -2.8604 -1.6647 -1.6647 5.4802 5.4802 7.8112 7.8112 7.9240 7.9240 12.9967 12.9967 16.0384 16.0384 19.0878 19.0878 20.8334 20.8334 k = 0.3750-0.2165 0.3062 ( 1026 PWs) bands (ev): -5.0833 -5.0833 -3.8343 -3.8343 -3.3438 -3.3438 -3.0265 -3.0265 -2.8548 -2.8548 -1.6093 -1.6093 5.4097 5.4097 7.7722 7.7722 7.8857 7.8857 12.9827 12.9827 16.0256 16.0256 19.0723 19.0723 20.8817 20.8817 k = 0.3828-0.2210 0.3126 ( 1026 PWs) bands (ev): -5.0883 -5.0883 -3.8332 -3.8332 -3.3375 -3.3375 -3.0249 -3.0249 -2.8496 -2.8496 -1.5553 -1.5553 5.3415 5.3415 7.7352 7.7352 7.8494 7.8494 12.9670 12.9670 16.0148 16.0148 19.0606 19.0606 20.9284 20.9284 k = 0.3906-0.2255 0.3189 ( 1018 PWs) bands (ev): -5.0930 -5.0930 -3.8322 -3.8322 -3.3315 -3.3315 -3.0232 -3.0232 -2.8444 -2.8444 -1.5029 -1.5029 5.2760 5.2760 7.7003 7.7003 7.8151 7.8151 12.9501 12.9501 16.0058 16.0058 19.0525 19.0525 20.9733 20.9733 k = 0.3984-0.2300 0.3253 ( 1014 PWs) bands (ev): -5.0974 -5.0974 -3.8313 -3.8313 -3.3260 -3.3260 -3.0215 -3.0215 -2.8397 -2.8397 -1.4524 -1.4524 5.2134 5.2134 7.6675 7.6675 7.7829 7.7829 12.9326 12.9326 15.9981 15.9981 19.0474 19.0474 21.0161 21.0161 k = 0.4062-0.2345 0.3317 ( 1014 PWs) bands (ev): -5.1016 -5.1016 -3.8305 -3.8305 -3.3209 -3.3209 -3.0199 -3.0199 -2.8351 -2.8351 -1.4042 -1.4042 5.1539 5.1539 7.6369 7.6369 7.7528 7.7528 12.9148 12.9148 15.9916 15.9916 19.0449 19.0449 21.0567 21.0567 k = 0.4141-0.2391 0.3381 ( 1006 PWs) bands (ev): -5.1055 -5.1055 -3.8298 -3.8298 -3.3162 -3.3162 -3.0183 -3.0183 -2.8309 -2.8309 -1.3585 -1.3585 5.0979 5.0979 7.6085 7.6085 7.7249 7.7249 12.8971 12.8971 15.9860 15.9860 19.0448 19.0448 21.0950 21.0950 k = 0.4219-0.2436 0.3445 ( 1006 PWs) bands (ev): -5.1090 -5.1090 -3.8292 -3.8292 -3.3119 -3.3119 -3.0168 -3.0168 -2.8270 -2.8270 -1.3155 -1.3155 5.0455 5.0455 7.5825 7.5825 7.6992 7.6992 12.8798 12.8798 15.9812 15.9812 19.0462 19.0462 21.1306 21.1306 k = 0.4297-0.2481 0.3508 ( 1006 PWs) bands (ev): -5.1123 -5.1123 -3.8288 -3.8288 -3.3081 -3.3081 -3.0154 -3.0154 -2.8234 -2.8234 -1.2757 -1.2757 4.9971 4.9971 7.5587 7.5587 7.6758 7.6758 12.8633 12.8633 15.9771 15.9771 19.0489 19.0489 21.1634 21.1634 k = 0.4375-0.2526 0.3572 ( 1006 PWs) bands (ev): -5.1152 -5.1152 -3.8284 -3.8284 -3.3047 -3.3047 -3.0141 -3.0141 -2.8201 -2.8201 -1.2391 -1.2391 4.9530 4.9530 7.5374 7.5374 7.6548 7.6548 12.8479 12.8479 15.9736 15.9736 19.0526 19.0526 21.1932 21.1932 k = 0.4453-0.2571 0.3636 ( 1006 PWs) bands (ev): -5.1178 -5.1178 -3.8281 -3.8281 -3.3017 -3.3017 -3.0129 -3.0129 -2.8172 -2.8172 -1.2062 -1.2062 4.9133 4.9133 7.5184 7.5184 7.6361 7.6361 12.8337 12.8337 15.9706 15.9706 19.0568 19.0568 21.2200 21.2200 k = 0.4531-0.2616 0.3700 ( 1006 PWs) bands (ev): -5.1201 -5.1201 -3.8278 -3.8278 -3.2991 -3.2991 -3.0119 -3.0119 -2.8147 -2.8147 -1.1770 -1.1770 4.8784 4.8784 7.5019 7.5019 7.6199 7.6199 12.8211 12.8211 15.9681 15.9681 19.0612 19.0612 21.2435 21.2435 k = 0.4609-0.2661 0.3764 ( 1010 PWs) bands (ev): -5.1221 -5.1221 -3.8276 -3.8276 -3.2969 -3.2969 -3.0110 -3.0110 -2.8125 -2.8125 -1.1520 -1.1520 4.8484 4.8484 7.4879 7.4879 7.6061 7.6061 12.8100 12.8100 15.9660 15.9660 19.0654 19.0654 21.2636 21.2636 k = 0.4688-0.2706 0.3827 ( 1010 PWs) bands (ev): -5.1237 -5.1237 -3.8275 -3.8275 -3.2951 -3.2951 -3.0102 -3.0102 -2.8107 -2.8107 -1.1312 -1.1312 4.8236 4.8236 7.4764 7.4764 7.5948 7.5948 12.8008 12.8008 15.9643 15.9643 19.0694 19.0694 21.2803 21.2803 k = 0.4766-0.2751 0.3891 ( 1014 PWs) bands (ev): -5.1249 -5.1249 -3.8274 -3.8274 -3.2937 -3.2937 -3.0097 -3.0097 -2.8094 -2.8094 -1.1149 -1.1149 4.8040 4.8040 7.4675 7.4675 7.5859 7.5859 12.7936 12.7936 15.9629 15.9629 19.0726 19.0726 21.2933 21.2933 k = 0.4844-0.2797 0.3955 ( 1014 PWs) bands (ev): -5.1258 -5.1258 -3.8273 -3.8273 -3.2927 -3.2927 -3.0093 -3.0093 -2.8083 -2.8083 -1.1031 -1.1031 4.7900 4.7900 7.4611 7.4611 7.5796 7.5796 12.7883 12.7883 15.9620 15.9620 19.0751 19.0751 21.3027 21.3027 k = 0.4922-0.2842 0.4019 ( 1014 PWs) bands (ev): -5.1263 -5.1263 -3.8273 -3.8273 -3.2921 -3.2921 -3.0090 -3.0090 -2.8077 -2.8077 -1.0960 -1.0960 4.7815 4.7815 7.4572 7.4572 7.5758 7.5758 12.7851 12.7851 15.9615 15.9615 19.0767 19.0767 21.3083 21.3083 k = 0.5000-0.2887 0.4082 ( 998 PWs) bands (ev): -5.1265 -5.1265 -3.8272 -3.8272 -3.2918 -3.2918 -3.0088 -3.0088 -2.8074 -2.8074 -1.0936 -1.0936 4.7788 4.7788 7.4561 7.4561 7.5747 7.5747 12.7841 12.7841 15.9614 15.9614 19.0774 19.0774 21.3104 21.3104 k = 0.5000-0.2887 0.4082 ( 998 PWs) bands (ev): -5.1265 -5.1265 -3.8272 -3.8272 -3.2918 -3.2918 -3.0088 -3.0088 -2.8074 -2.8074 -1.0936 -1.0936 4.7788 4.7788 7.4561 7.4561 7.5747 7.5747 12.7841 12.7841 15.9614 15.9614 19.0774 19.0774 21.3104 21.3104 k = 0.5000-0.2797 0.4146 ( 1012 PWs) bands (ev): -5.1297 -5.1231 -3.8290 -3.8254 -3.3029 -3.2814 -3.0111 -3.0067 -2.8102 -2.8053 -1.0973 -1.0884 4.7790 4.7793 7.4494 7.4589 7.5722 7.5735 12.7858 12.7914 15.9627 15.9630 19.0759 19.0780 21.2991 21.3164 k = 0.5000-0.2706 0.4210 ( 1012 PWs) bands (ev): -5.1328 -5.1196 -3.8306 -3.8234 -3.3146 -3.2717 -3.0132 -3.0044 -2.8133 -2.8035 -1.0995 -1.0817 4.7801 4.7807 7.4393 7.4584 7.5664 7.5692 12.7965 12.8077 15.9673 15.9678 19.0741 19.0783 21.2812 21.3172 k = 0.5000-0.2616 0.4274 ( 1016 PWs) bands (ev): -5.1356 -5.1158 -3.8321 -3.8213 -3.3269 -3.2627 -3.0153 -3.0020 -2.8170 -2.8023 -1.1003 -1.0737 4.7820 4.7830 7.4255 7.4544 7.5570 7.5617 12.8162 12.8328 15.9748 15.9756 19.0717 19.0781 21.2532 21.3099 k = 0.5000-0.2526 0.4338 ( 1016 PWs) bands (ev): -5.1383 -5.1119 -3.8334 -3.8190 -3.3398 -3.2542 -3.0174 -2.9996 -2.8211 -2.8014 -1.0995 -1.0643 4.7847 4.7861 7.4081 7.4472 7.5442 7.5514 12.8448 12.8666 15.9854 15.9863 19.0690 19.0775 21.2118 21.2901 k = 0.5000-0.2436 0.4401 ( 1012 PWs) bands (ev): -5.1407 -5.1078 -3.8345 -3.8167 -3.3532 -3.2464 -3.0194 -2.9970 -2.8256 -2.8009 -1.0972 -1.0536 4.7883 4.7899 7.3873 7.4369 7.5282 7.5384 12.8820 12.9086 15.9988 15.9998 19.0658 19.0764 21.1550 21.2534 k = 0.5000-0.2345 0.4465 ( 1012 PWs) bands (ev): -5.1430 -5.1037 -3.8355 -3.8142 -3.3671 -3.2391 -3.0215 -2.9944 -2.8305 -2.8009 -1.0936 -1.0418 4.7926 4.7946 7.3632 7.4236 7.5092 7.5230 12.9276 12.9587 16.0148 16.0160 19.0622 19.0748 21.0828 21.1984 k = 0.5000-0.2255 0.4529 ( 1012 PWs) bands (ev): -5.1451 -5.0993 -3.8363 -3.8118 -3.3815 -3.2325 -3.0236 -2.9917 -2.8359 -2.8012 -1.0886 -1.0290 4.7978 4.8000 7.3360 7.4074 7.4874 7.5054 12.9813 13.0163 16.0334 16.0346 19.0582 19.0728 20.9965 21.1269 k = 0.5000-0.2165 0.4593 ( 1010 PWs) bands (ev): -5.1471 -5.0949 -3.8369 -3.8092 -3.3963 -3.2264 -3.0256 -2.9888 -2.8416 -2.8019 -1.0823 -1.0152 4.8036 4.8062 7.3060 7.3886 7.4632 7.4858 13.0426 13.0812 16.0543 16.0555 19.0538 19.0704 20.8977 21.0410 k = 0.5000-0.2075 0.4657 ( 1010 PWs) bands (ev): -5.1488 -5.0903 -3.8374 -3.8066 -3.4114 -3.2209 -3.0277 -2.9859 -2.8476 -2.8029 -1.0748 -1.0006 4.8102 4.8130 7.2736 7.3671 7.4371 7.4645 13.1112 13.1528 16.0773 16.0784 19.0490 19.0676 20.7883 20.9431 k = 0.5000-0.1985 0.4720 ( 1012 PWs) bands (ev): -5.1504 -5.0857 -3.8377 -3.8040 -3.4268 -3.2158 -3.0298 -2.9828 -2.8539 -2.8042 -1.0663 -0.9853 4.8174 4.8205 7.2392 7.3432 7.4094 7.4415 13.1866 13.2308 16.1020 16.1030 19.0440 19.0644 20.6695 20.8350 k = 0.5000-0.1894 0.4784 ( 1012 PWs) bands (ev): -5.1519 -5.0810 -3.8378 -3.8014 -3.4424 -3.2112 -3.0319 -2.9797 -2.8604 -2.8058 -1.0568 -0.9694 4.8253 4.8286 7.2031 7.3170 7.3807 7.4173 13.2684 13.3146 16.1283 16.1291 19.0387 19.0610 20.5430 20.7184 k = 0.5000-0.1804 0.4848 ( 1012 PWs) bands (ev): -5.1532 -5.0763 -3.8378 -3.7988 -3.4582 -3.2070 -3.0341 -2.9764 -2.8671 -2.8077 -1.0465 -0.9530 4.8336 4.8372 7.1657 7.2887 7.3512 7.3919 13.3562 13.4037 16.1559 16.1563 19.0332 19.0572 20.4100 20.5946 k = 0.5000-0.1714 0.4912 ( 1016 PWs) bands (ev): -5.1543 -5.0715 -3.8376 -3.7962 -3.4739 -3.2032 -3.0362 -2.9731 -2.8739 -2.8098 -1.0355 -0.9365 4.8425 4.8463 7.1274 7.2586 7.3213 7.3656 13.4493 13.4975 16.1844 16.1845 19.0275 19.0532 20.2714 20.4648 k = 0.5000-0.1624 0.4976 ( 1012 PWs) bands (ev): -5.1553 -5.0667 -3.8372 -3.7937 -3.4897 -3.1996 -3.0384 -2.9696 -2.8807 -2.8121 -1.0239 -0.9196 4.8519 4.8559 7.0888 7.2271 7.2914 7.3386 13.5473 13.5958 16.2133 16.2136 19.0217 19.0490 20.1285 20.3304 k = 0.5000-0.1534 0.5039 ( 1012 PWs) bands (ev): -5.1562 -5.0620 -3.8366 -3.7912 -3.5053 -3.1965 -3.0405 -2.9661 -2.8876 -2.8146 -1.0119 -0.9028 4.8616 4.8658 7.0499 7.1947 7.2615 7.3111 13.6497 13.6977 16.2423 16.2432 19.0157 19.0447 19.9821 20.1921 k = 0.5000-0.1443 0.5103 ( 1012 PWs) bands (ev): -5.1570 -5.0573 -3.8359 -3.7888 -3.5208 -3.1936 -3.0426 -2.9624 -2.8944 -2.8173 -0.9996 -0.8860 4.8716 4.8759 7.0114 7.1617 7.2318 7.2835 13.7558 13.8027 16.2715 16.2729 19.0098 19.0401 19.8332 20.0512 k = 0.5000-0.1353 0.5167 ( 1020 PWs) bands (ev): -5.1577 -5.0527 -3.8350 -3.7865 -3.5361 -3.1910 -3.0448 -2.9587 -2.9012 -2.8202 -0.9873 -0.8696 4.8818 4.8862 6.9733 7.1286 7.2024 7.2558 13.8651 13.9103 16.3002 16.3023 19.0038 19.0354 19.6828 19.9086 k = 0.5000-0.1263 0.5231 ( 1016 PWs) bands (ev): -5.1582 -5.0482 -3.8340 -3.7842 -3.5509 -3.1886 -3.0468 -2.9549 -2.9077 -2.8232 -0.9748 -0.8534 4.8921 4.8967 6.9363 7.0960 7.1736 7.2284 13.9770 14.0197 16.3286 16.3313 18.9979 19.0306 19.5318 19.7653 k = 0.5000-0.1173 0.5294 ( 1016 PWs) bands (ev): -5.1587 -5.0438 -3.8328 -3.7821 -3.5653 -3.1865 -3.0488 -2.9511 -2.9141 -2.8264 -0.9626 -0.8377 4.9024 4.9071 6.9005 7.0640 7.1455 7.2015 14.0907 14.1303 16.3561 16.3595 18.9922 19.0255 19.3814 19.6222 k = 0.5000-0.1083 0.5358 ( 1016 PWs) bands (ev): -5.1591 -5.0396 -3.8314 -3.7800 -3.5792 -3.1845 -3.0507 -2.9472 -2.9202 -2.8296 -0.9506 -0.8227 4.9126 4.9174 6.8662 7.0331 7.1184 7.1753 14.2054 14.2412 16.3826 16.3867 18.9866 19.0195 19.2331 19.4804 k = 0.5000-0.0992 0.5422 ( 1016 PWs) bands (ev): -5.1594 -5.0356 -3.8299 -3.7782 -3.5926 -3.1827 -3.0525 -2.9432 -2.9260 -2.8330 -0.9390 -0.8084 4.9226 4.9274 6.8336 7.0036 7.0923 7.1502 14.3204 14.3517 16.4078 16.4126 18.9812 19.0073 19.0932 19.3411 k = 0.5000-0.0902 0.5486 ( 1016 PWs) bands (ev): -5.1596 -5.0318 -3.8283 -3.7764 -3.6052 -3.1811 -3.0543 -2.9393 -2.9315 -2.8364 -0.9280 -0.7949 4.9323 4.9372 6.8031 6.9758 7.0676 7.1262 14.4346 14.4606 16.4316 16.4371 18.9261 18.9760 19.0259 19.2053 k = 0.5000-0.0812 0.5550 ( 1016 PWs) bands (ev): -5.1598 -5.0282 -3.8266 -3.7748 -3.6172 -3.1797 -3.0559 -2.9366 -2.9354 -2.8399 -0.9176 -0.7823 4.9416 4.9464 6.7748 6.9499 7.0444 7.1038 14.5469 14.5669 16.4537 16.4598 18.7920 18.9710 19.0162 19.0744 k = 0.5000-0.0722 0.5613 ( 1020 PWs) bands (ev): -5.1600 -5.0250 -3.8249 -3.7734 -3.6282 -3.1785 -3.0574 -2.9412 -2.9316 -2.8434 -0.9080 -0.7708 4.9502 4.9551 6.7489 6.9261 7.0230 7.0829 14.6558 14.6692 16.4739 16.4807 18.6594 18.9471 18.9690 19.0112 k = 0.5000-0.0631 0.5677 ( 1020 PWs) bands (ev): -5.1601 -5.0220 -3.8231 -3.7721 -3.6384 -3.1773 -3.0588 -2.9454 -2.9278 -2.8468 -0.8993 -0.7604 4.9583 4.9631 6.7256 6.9047 7.0035 7.0640 14.7600 14.7661 16.4921 16.4995 18.5336 18.8319 18.9632 19.0074 k = 0.5000-0.0541 0.5741 ( 1028 PWs) bands (ev): -5.1602 -5.0194 -3.8214 -3.7710 -3.6475 -3.1764 -3.0601 -2.9492 -2.9243 -2.8501 -0.8916 -0.7513 4.9654 4.9703 6.7051 6.8858 6.9861 7.0472 14.8559 14.8575 16.5081 16.5160 18.4170 18.7246 18.9594 19.0040 k = 0.5000-0.0451 0.5805 ( 1028 PWs) bands (ev): -5.1603 -5.0172 -3.8197 -3.7701 -3.6555 -3.1755 -3.0611 -2.9524 -2.9209 -2.8533 -0.8849 -0.7434 4.9717 4.9766 6.6875 6.8696 6.9712 7.0326 14.9369 14.9462 16.5219 16.5303 18.3120 18.6287 18.9562 19.0014 k = 0.5000-0.0361 0.5869 ( 1026 PWs) bands (ev): -5.1603 -5.0153 -3.8181 -3.7693 -3.6623 -3.1747 -3.0620 -2.9551 -2.9177 -2.8562 -0.8793 -0.7369 4.9770 4.9819 6.6730 6.8561 6.9587 7.0205 15.0070 15.0239 16.5333 16.5422 18.2209 18.5463 18.9536 18.9992 k = 0.5000-0.0271 0.5932 ( 1026 PWs) bands (ev): -5.1603 -5.0138 -3.8168 -3.7687 -3.6676 -3.1742 -3.0627 -2.9572 -2.9151 -2.8586 -0.8749 -0.7318 4.9813 4.9861 6.6616 6.8456 6.9488 7.0109 15.0643 15.0879 16.5422 16.5515 18.1464 18.4794 18.9516 18.9975 k = 0.5000-0.0180 0.5996 ( 1036 PWs) bands (ev): -5.1604 -5.0128 -3.8159 -3.7683 -3.6716 -3.1739 -3.0632 -2.9587 -2.9131 -2.8606 -0.8718 -0.7282 4.9843 4.9892 6.6533 6.8379 6.9416 7.0039 15.1067 15.1357 16.5487 16.5581 18.0909 18.4300 18.9501 18.9962 k = 0.5000-0.0090 0.6060 ( 1036 PWs) bands (ev): -5.1604 -5.0121 -3.8153 -3.7680 -3.6740 -3.1736 -3.0635 -2.9596 -2.9118 -2.8619 -0.8698 -0.7259 4.9862 4.9910 6.6484 6.8333 6.9373 6.9997 15.1329 15.1655 16.5525 16.5622 18.0566 18.3996 18.9492 18.9955 k = 0.5000-0.0000 0.6124 ( 1036 PWs) bands (ev): -5.1604 -5.0119 -3.8151 -3.7679 -3.6748 -3.1735 -3.0636 -2.9599 -2.9114 -2.8623 -0.8692 -0.7252 4.9868 4.9917 6.6467 6.8318 6.9359 6.9983 15.1418 15.1756 16.5538 16.5635 18.0450 18.3893 18.9489 18.9953 k = 0.5000-0.0000 0.6124 ( 1036 PWs) bands (ev): -5.1604 -5.0119 -3.8151 -3.7679 -3.6748 -3.1735 -3.0636 -2.9599 -2.9114 -2.8623 -0.8692 -0.7252 4.9868 4.9917 6.6467 6.8318 6.9359 6.9983 15.1418 15.1756 16.5538 16.5635 18.0450 18.3893 18.9489 18.9953 k = 0.4946 0.0094 0.6124 ( 1036 PWs) bands (ev): -5.1604 -5.0120 -3.8153 -3.7680 -3.6743 -3.1736 -3.0636 -2.9599 -2.9115 -2.8621 -0.8699 -0.7259 4.9861 4.9910 6.6434 6.8260 6.9409 7.0093 15.1380 15.1712 16.5512 16.5606 18.0485 18.3897 18.9534 19.0020 k = 0.4891 0.0188 0.6124 ( 1036 PWs) bands (ev): -5.1603 -5.0123 -3.8160 -3.7680 -3.6730 -3.1739 -3.0635 -2.9599 -2.9120 -2.8616 -0.8721 -0.7280 4.9840 4.9892 6.6330 6.8093 6.9586 7.0385 15.1266 15.1582 16.5433 16.5516 18.0596 18.3918 18.9665 19.0216 k = 0.4837 0.0282 0.6124 ( 1031 PWs) bands (ev): -5.1601 -5.0127 -3.8170 -3.7680 -3.6710 -3.1744 -3.0634 -2.9599 -2.9128 -2.8607 -0.8754 -0.7313 4.9806 4.9862 6.6170 6.7857 6.9898 7.0794 15.1077 15.1368 16.5301 16.5368 18.0788 18.3969 18.9880 19.0529 k = 0.4783 0.0377 0.6124 ( 1027 PWs) bands (ev): -5.1599 -5.0133 -3.8185 -3.7678 -3.6682 -3.1751 -3.0631 -2.9598 -2.9138 -2.8595 -0.8798 -0.7356 4.9760 4.9821 6.5970 6.7589 7.0318 7.1280 15.0813 15.1073 16.5122 16.5169 18.1056 18.4056 19.0177 19.0947 k = 0.4728 0.0471 0.6124 ( 1028 PWs) bands (ev): -5.1597 -5.0140 -3.8204 -3.7675 -3.6648 -3.1761 -3.0628 -2.9598 -2.9151 -2.8581 -0.8851 -0.7409 4.9703 4.9770 6.5749 6.7311 7.0818 7.1819 15.0478 15.0703 16.4903 16.4929 18.1387 18.4181 19.0553 19.1462 k = 0.4674 0.0565 0.6124 ( 1024 PWs) bands (ev): -5.1594 -5.0149 -3.8226 -3.7671 -3.6610 -3.1771 -3.0625 -2.9598 -2.9165 -2.8565 -0.8911 -0.7468 4.9639 4.9711 6.5518 6.7035 7.1379 7.2398 15.0074 15.0265 16.4655 16.4662 18.1768 18.4339 19.1013 19.2070 k = 0.4620 0.0659 0.6124 ( 1024 PWs) bands (ev): -5.1591 -5.0160 -3.8250 -3.7665 -3.6567 -3.1784 -3.0621 -2.9598 -2.9179 -2.8547 -0.8977 -0.7533 4.9567 4.9646 6.5286 6.6764 7.1984 7.3006 14.9606 14.9767 16.4379 16.4388 18.2179 18.4522 19.1556 19.2763 k = 0.4565 0.0753 0.6124 ( 1024 PWs) bands (ev): -5.1587 -5.0172 -3.8276 -3.7658 -3.6522 -3.1799 -3.0616 -2.9598 -2.9195 -2.8529 -0.9047 -0.7602 4.9490 4.9575 6.5057 6.6504 7.2621 7.3633 14.9077 14.9222 16.4093 16.4114 18.2602 18.4723 19.2185 19.3538 k = 0.4511 0.0847 0.6124 ( 1017 PWs) bands (ev): -5.1584 -5.0185 -3.8301 -3.7650 -3.6473 -3.1815 -3.0610 -2.9598 -2.9210 -2.8510 -0.9120 -0.7674 4.9410 4.9502 6.4835 6.6256 7.3279 7.4272 14.8496 14.8641 16.3813 16.3842 18.3022 18.4932 19.2901 19.4389 k = 0.4457 0.0941 0.6124 ( 1014 PWs) bands (ev): -5.1580 -5.0198 -3.8327 -3.7641 -3.6424 -3.1833 -3.0604 -2.9598 -2.9225 -2.8491 -0.9194 -0.7747 4.9329 4.9426 6.4623 6.6022 7.3949 7.4912 14.7876 14.8035 16.3543 16.3577 18.3425 18.5142 19.3703 19.5310 k = 0.4402 0.1035 0.6124 ( 1012 PWs) bands (ev): -5.1576 -5.0212 -3.8352 -3.7633 -3.6374 -3.1851 -3.0598 -2.9598 -2.9240 -2.8472 -0.9269 -0.7820 4.9248 4.9350 6.4423 6.5802 7.4620 7.5547 14.7230 14.7409 16.3290 16.3326 18.3802 18.5347 19.4588 19.6295 k = 0.4348 0.1130 0.6124 ( 1012 PWs) bands (ev): -5.1572 -5.0227 -3.8376 -3.7624 -3.6323 -3.1871 -3.0591 -2.9599 -2.9254 -2.8453 -0.9342 -0.7892 4.9168 4.9276 6.4235 6.5598 7.5284 7.6166 14.6575 14.6774 16.3056 16.3093 18.4147 18.5544 19.5549 19.7337 k = 0.4293 0.1224 0.6124 ( 1010 PWs) bands (ev): -5.1568 -5.0242 -3.8399 -3.7616 -3.6274 -3.1891 -3.0584 -2.9600 -2.9267 -2.8436 -0.9413 -0.7961 4.9091 4.9204 6.4062 6.5410 7.5932 7.6763 14.5926 14.6140 16.2843 16.2880 18.4458 18.5728 19.6581 19.8427 k = 0.4239 0.1318 0.6124 ( 1010 PWs) bands (ev): -5.1564 -5.0256 -3.8421 -3.7607 -3.6226 -3.1911 -3.0578 -2.9601 -2.9280 -2.8419 -0.9481 -0.8028 4.9018 4.9136 6.3903 6.5239 7.6556 7.7329 14.5295 14.5518 16.2651 16.2688 18.4734 18.5898 19.7673 19.9557 k = 0.4185 0.1412 0.6124 ( 1016 PWs) bands (ev): -5.1560 -5.0270 -3.8440 -3.7600 -3.6182 -3.1931 -3.0571 -2.9603 -2.9291 -2.8404 -0.9544 -0.8090 4.8950 4.9072 6.3760 6.5084 7.7146 7.7856 14.4694 14.4921 16.2481 16.2518 18.4974 18.6052 19.8815 20.0715 k = 0.4130 0.1506 0.6124 ( 1010 PWs) bands (ev): -5.1556 -5.0283 -3.8458 -3.7593 -3.6139 -3.1949 -3.0564 -2.9604 -2.9301 -2.8390 -0.9602 -0.8146 4.8888 4.9014 6.3632 6.4947 7.7697 7.8338 14.4138 14.4359 16.2334 16.2370 18.5182 18.6189 19.9997 20.1892 k = 0.4076 0.1600 0.6124 ( 1010 PWs) bands (ev): -5.1553 -5.0295 -3.8473 -3.7587 -3.6101 -3.1967 -3.0558 -2.9605 -2.9309 -2.8377 -0.9654 -0.8197 4.8833 4.8962 6.3521 6.4828 7.8199 7.8766 14.3635 14.3844 16.2207 16.2242 18.5358 18.6308 20.1206 20.3070 k = 0.4022 0.1694 0.6124 ( 1010 PWs) bands (ev): -5.1550 -5.0306 -3.8486 -3.7582 -3.6067 -3.1983 -3.0552 -2.9607 -2.9316 -2.8366 -0.9699 -0.8241 4.8785 4.8917 6.3427 6.4727 7.8645 7.9133 14.3195 14.3386 16.2101 16.2135 18.5504 18.6409 20.2426 20.4226 k = 0.3967 0.1789 0.6124 ( 1010 PWs) bands (ev): -5.1547 -5.0315 -3.8497 -3.7577 -3.6039 -3.1997 -3.0547 -2.9609 -2.9322 -2.8357 -0.9737 -0.8278 4.8745 4.8880 6.3349 6.4644 7.9028 7.9434 14.2827 14.2994 16.2015 16.2049 18.5622 18.6492 20.3634 20.5327 k = 0.3913 0.1883 0.6124 ( 1014 PWs) bands (ev): -5.1545 -5.0323 -3.8506 -3.7574 -3.6016 -3.2009 -3.0544 -2.9610 -2.9327 -2.8350 -0.9767 -0.8307 4.8714 4.8850 6.3288 6.4579 7.9341 7.9665 14.2537 14.2676 16.1948 16.1982 18.5712 18.6556 20.4800 20.6313 k = 0.3859 0.1977 0.6124 ( 1014 PWs) bands (ev): -5.1544 -5.0328 -3.8512 -3.7571 -3.6000 -3.2017 -3.0541 -2.9611 -2.9330 -2.8345 -0.9788 -0.8328 4.8691 4.8829 6.3245 6.4533 7.9578 7.9823 14.2329 14.2440 16.1901 16.1934 18.5775 18.6602 20.5867 20.7087 k = 0.3804 0.2071 0.6124 ( 1012 PWs) bands (ev): -5.1543 -5.0331 -3.8515 -3.7569 -3.5989 -3.2022 -3.0539 -2.9612 -2.9332 -2.8342 -0.9801 -0.8341 4.8678 4.8816 6.3219 6.4505 7.9731 7.9911 14.2207 14.2293 16.1874 16.1906 18.5814 18.6630 20.6734 20.7513 k = 0.3750 0.2165 0.6124 ( 1011 PWs) bands (ev): -5.1543 -5.0332 -3.8516 -3.7569 -3.5986 -3.2023 -3.0538 -2.9612 -2.9333 -2.8341 -0.9805 -0.8345 4.8673 4.8812 6.3210 6.4496 7.9785 7.9938 14.2167 14.2243 16.1864 16.1897 18.5826 18.6639 20.7150 20.7569 k = 0.3750 0.2165 0.6124 ( 1011 PWs) bands (ev): -5.1543 -5.0332 -3.8516 -3.7569 -3.5986 -3.2023 -3.0538 -2.9612 -2.9333 -2.8341 -0.9805 -0.8345 4.8673 4.8812 6.3210 6.4496 7.9785 7.9938 14.2167 14.2243 16.1864 16.1897 18.5826 18.6639 20.7150 20.7569 k = 0.3695 0.2133 0.6034 ( 1011 PWs) bands (ev): -5.1536 -5.0297 -3.8526 -3.7549 -3.6086 -3.2031 -3.0556 -2.9667 -2.9323 -2.8370 -0.9820 -0.8324 4.8634 4.8791 6.2955 6.4224 8.0166 8.0322 14.3058 14.3096 16.1609 16.1648 18.5247 18.6099 20.6807 20.7141 k = 0.3640 0.2101 0.5944 ( 1015 PWs) bands (ev): -5.1529 -5.0264 -3.8536 -3.7537 -3.6175 -3.2041 -3.0575 -2.9731 -2.9304 -2.8399 -0.9858 -0.8328 4.8582 4.8758 6.2775 6.4023 8.0558 8.0717 14.3951 14.3951 16.1290 16.1336 18.4657 18.5543 20.6452 20.6718 k = 0.3585 0.2070 0.5854 ( 1015 PWs) bands (ev): -5.1520 -5.0232 -3.8545 -3.7532 -3.6252 -3.2052 -3.0592 -2.9800 -2.9279 -2.8428 -0.9921 -0.8358 4.8521 4.8717 6.2670 6.3894 8.0959 8.1122 14.4808 14.4846 16.0908 16.0963 18.4064 18.4980 20.6091 20.6302 k = 0.3529 0.2038 0.5764 ( 1015 PWs) bands (ev): -5.1509 -5.0201 -3.8555 -3.7538 -3.6315 -3.2065 -3.0609 -2.9870 -2.9252 -2.8456 -1.0013 -0.8417 4.8455 4.8670 6.2640 6.3837 8.1368 8.1535 14.5667 14.5742 16.0464 16.0528 18.3472 18.4415 20.5728 20.5895 k = 0.3474 0.2006 0.5673 ( 1025 PWs) bands (ev): -5.1498 -5.0171 -3.8565 -3.7556 -3.6365 -3.2080 -3.0626 -2.9941 -2.9225 -2.8486 -1.0134 -0.8507 4.8389 4.8622 6.2681 6.3850 8.1785 8.1956 14.6526 14.6637 15.9962 16.0034 18.2887 18.3851 20.5368 20.5499 k = 0.3419 0.1974 0.5583 ( 1021 PWs) bands (ev): -5.1485 -5.0143 -3.8575 -3.7583 -3.6401 -3.2095 -3.0641 -3.0011 -2.9196 -2.8514 -1.0284 -0.8628 4.8330 4.8579 6.2792 6.3933 8.2210 8.2385 14.7386 14.7530 15.9407 15.9487 18.2312 18.3294 20.5015 20.5115 k = 0.3364 0.1942 0.5493 ( 1015 PWs) bands (ev): -5.1470 -5.0116 -3.8585 -3.7620 -3.6424 -3.2111 -3.0656 -3.0081 -2.9168 -2.8542 -1.0467 -0.8780 4.8285 4.8546 6.2969 6.4081 8.2641 8.2819 14.8244 14.8417 15.8807 15.8890 18.1750 18.2748 20.4670 20.4745 k = 0.3309 0.1910 0.5403 ( 1015 PWs) bands (ev): -5.1454 -5.0090 -3.8595 -3.7666 -3.6436 -3.2129 -3.0670 -3.0150 -2.9141 -2.8570 -1.0682 -0.8967 4.8257 4.8528 6.3206 6.4290 8.3076 8.3259 14.9097 14.9290 15.8170 15.8249 18.1204 18.2215 20.4337 20.4390 k = 0.3254 0.1879 0.5313 ( 1019 PWs) bands (ev): -5.1436 -5.0065 -3.8605 -3.7719 -3.6439 -3.2149 -3.0684 -3.0217 -2.9115 -2.8598 -1.0931 -0.9187 4.8253 4.8531 6.3500 6.4558 8.3517 8.3703 14.9935 15.0136 15.7515 15.7577 18.0676 18.1697 20.4016 20.4051 k = 0.3199 0.1847 0.5223 ( 1019 PWs) bands (ev): -5.1417 -5.0040 -3.8615 -3.7777 -3.6435 -3.2169 -3.0696 -3.0283 -2.9091 -2.8625 -1.1213 -0.9441 4.8279 4.8559 6.3846 6.4879 8.3961 8.4151 15.0744 15.0928 15.6876 15.6896 18.0168 18.1199 20.3710 20.3729 k = 0.3143 0.1815 0.5133 ( 1015 PWs) bands (ev): -5.1395 -5.0016 -3.8625 -3.7839 -3.6426 -3.2190 -3.0708 -3.0347 -2.9068 -2.8652 -1.1528 -0.9729 4.8339 4.8619 6.4242 6.5252 8.4408 8.4602 15.1484 15.1600 15.6247 15.6321 17.9680 18.0721 20.3421 20.3426 k = 0.3088 0.1783 0.5043 ( 1015 PWs) bands (ev): -5.1372 -4.9993 -3.8635 -3.7903 -3.6413 -3.2212 -3.0719 -3.0410 -2.9047 -2.8679 -1.1877 -1.0050 4.8435 4.8712 6.4682 6.5671 8.4857 8.5055 15.2021 15.2060 15.5729 15.5985 17.9213 18.0264 20.3142 20.3149 k = 0.3033 0.1751 0.4953 ( 1011 PWs) bands (ev): -5.1347 -4.9970 -3.8646 -3.7968 -3.6399 -3.2236 -3.0729 -3.0470 -2.9028 -2.8705 -1.2257 -1.0404 4.8572 4.8842 6.5165 6.6134 8.5308 8.5510 15.2018 15.2272 15.5547 15.6047 17.8770 17.9829 20.2879 20.2895 k = 0.2978 0.1719 0.4863 ( 1011 PWs) bands (ev): -5.1320 -4.9947 -3.8656 -3.8033 -3.6384 -3.2261 -3.0738 -3.0529 -2.9012 -2.8731 -1.2669 -1.0790 4.8752 4.9012 6.5686 6.6637 8.5759 8.5964 15.1583 15.1979 15.5845 15.6517 17.8348 17.9419 20.2634 20.2660 k = 0.2923 0.1687 0.4773 ( 1015 PWs) bands (ev): -5.1292 -4.9924 -3.8667 -3.8099 -3.6370 -3.2287 -3.0746 -3.0585 -2.8999 -2.8758 -1.3110 -1.1207 4.8975 4.9223 6.6243 6.7177 8.6210 8.6418 15.0876 15.1325 15.6481 15.7240 17.7950 17.9033 20.2411 20.2444 k = 0.2868 0.1656 0.4683 ( 1015 PWs) bands (ev): -5.1261 -4.9902 -3.8678 -3.8163 -3.6357 -3.2315 -3.0753 -3.0639 -2.8988 -2.8784 -1.3580 -1.1652 4.9244 4.9478 6.6834 6.7753 8.6660 8.6871 15.0024 15.0494 15.7277 15.8092 17.7576 17.8674 20.2208 20.2247 k = 0.2812 0.1624 0.4593 ( 1015 PWs) bands (ev): -5.1228 -4.9878 -3.8689 -3.8226 -3.6345 -3.2344 -3.0759 -3.0691 -2.8979 -2.8810 -1.4076 -1.2125 4.9559 4.9777 6.7456 6.8361 8.7107 8.7322 14.9090 14.9571 15.8148 15.9014 17.7228 17.8341 20.2026 20.2071 k = 0.2757 0.1592 0.4503 ( 1015 PWs) bands (ev): -5.1193 -4.9855 -3.8700 -3.8288 -3.6336 -3.2376 -3.0765 -3.0741 -2.8974 -2.8836 -1.4597 -1.2623 4.9919 5.0120 6.8107 6.8998 8.7553 8.7770 14.8104 14.8593 15.9060 15.9978 17.6905 17.8038 20.1865 20.1914 k = 0.2702 0.1560 0.4413 ( 1015 PWs) bands (ev): -5.1155 -4.9831 -3.8712 -3.8349 -3.6329 -3.2409 -3.0788 -3.0769 -2.8972 -2.8862 -1.5140 -1.3144 5.0325 5.0507 6.8785 6.9664 8.7994 8.8215 14.7082 14.7580 15.9997 16.0969 17.6610 17.7765 20.1724 20.1776 k = 0.2647 0.1528 0.4323 ( 1019 PWs) bands (ev): -5.1115 -4.9806 -3.8725 -3.8408 -3.6325 -3.2446 -3.0833 -3.0773 -2.8972 -2.8889 -1.5704 -1.3686 5.0776 5.0937 6.9487 7.0355 8.8431 8.8655 14.6035 14.6540 16.0950 16.1979 17.6343 17.7524 20.1602 20.1657 k = 0.2592 0.1496 0.4233 ( 1019 PWs) bands (ev): -5.1073 -4.9781 -3.8737 -3.8466 -3.6324 -3.2484 -3.0875 -3.0776 -2.8976 -2.8915 -1.6285 -1.4247 5.1270 5.1411 7.0213 7.1071 8.8864 8.9090 14.4970 14.5481 16.1912 16.3003 17.6107 17.7318 20.1500 20.1556 k = 0.2537 0.1465 0.4143 ( 1019 PWs) bands (ev): -5.1028 -4.9754 -3.8750 -3.8522 -3.6327 -3.2524 -3.0915 -3.0778 -2.8983 -2.8942 -1.6881 -1.4825 5.1807 5.1928 7.0961 7.1808 8.9292 8.9520 14.3889 14.4407 16.2878 16.4034 17.5905 17.7150 20.1415 20.1472 k = 0.2482 0.1433 0.4052 ( 1019 PWs) bands (ev): -5.0981 -4.9727 -3.8763 -3.8576 -3.6333 -3.2568 -3.0952 -3.0780 -2.8993 -2.8969 -1.7490 -1.5416 5.2386 5.2485 7.1728 7.2565 8.9713 8.9943 14.2798 14.3321 16.3844 16.5070 17.5741 17.7023 20.1347 20.1404 k = 0.2426 0.1401 0.3962 ( 1019 PWs) bands (ev): -5.0932 -4.9699 -3.8777 -3.8629 -3.6343 -3.2616 -3.0987 -3.0780 -2.9005 -2.8996 -1.8110 -1.6020 5.3005 5.3082 7.2513 7.3340 9.0128 9.0360 14.1700 14.2228 16.4805 16.6102 17.5619 17.6941 20.1294 20.1350 k = 0.2371 0.1369 0.3872 ( 1011 PWs) bands (ev): -5.0880 -4.9669 -3.8791 -3.8680 -3.6357 -3.2666 -3.1019 -3.0780 -2.9023 -2.9021 -1.8737 -1.6632 5.3662 5.3717 7.3314 7.4133 9.0536 9.0769 14.0596 14.1128 16.5755 16.7125 17.5547 17.6910 20.1255 20.1308 k = 0.2316 0.1337 0.3782 ( 1015 PWs) bands (ev): -5.0826 -4.9639 -3.8806 -3.8730 -3.6375 -3.2722 -3.1049 -3.0780 -2.9050 -2.9040 -1.9370 -1.7253 5.4355 5.4389 7.4130 7.4939 9.0935 9.1170 13.9489 14.0024 16.6686 16.8128 17.5534 17.6937 20.1227 20.1277 k = 0.2261 0.1305 0.3692 ( 1015 PWs) bands (ev): -5.0769 -4.9608 -3.8822 -3.8778 -3.6398 -3.2782 -3.1076 -3.0780 -2.9078 -2.9062 -2.0005 -1.7877 5.5084 5.5097 7.4958 7.5758 9.1327 9.1563 13.8380 13.8917 16.7592 16.9094 17.5594 17.7028 20.1209 20.1254 k = 0.2206 0.1274 0.3602 ( 1015 PWs) bands (ev): -5.0710 -4.9576 -3.8838 -3.8826 -3.6424 -3.2847 -3.1102 -3.0779 -2.9107 -2.9086 -2.0640 -1.8504 5.5838 5.5846 7.5798 7.6588 9.1710 9.1946 13.7271 13.7810 16.8461 17.0006 17.5749 17.7193 20.1197 20.1237 k = 0.2151 0.1242 0.3512 ( 1009 PWs) bands (ev): -5.0649 -4.9542 -3.8871 -3.8854 -3.6455 -3.2917 -3.1125 -3.0778 -2.9135 -2.9112 -2.1272 -1.9131 5.6612 5.6640 7.6647 7.7428 9.2084 9.2321 13.6165 13.6704 16.9286 17.0836 17.6023 17.7442 20.1189 20.1223 k = 0.2096 0.1210 0.3422 ( 1009 PWs) bands (ev): -5.0586 -4.9508 -3.8916 -3.8871 -3.6490 -3.2993 -3.1147 -3.0777 -2.9164 -2.9141 -2.1899 -1.9757 5.7416 5.7463 7.7503 7.8274 9.2448 9.2686 13.5060 13.5599 17.0056 17.1559 17.6440 17.7782 20.1182 20.1209 k = 0.2040 0.1178 0.3332 ( 1013 PWs) bands (ev): -5.0521 -4.9473 -3.8960 -3.8890 -3.6529 -3.3078 -3.1167 -3.0777 -2.9193 -2.9172 -2.2518 -2.0378 5.8249 5.8314 7.8364 7.9126 9.2802 9.3039 13.3959 13.4496 17.0765 17.2161 17.7014 17.8219 20.1173 20.1192 k = 0.1985 0.1146 0.3242 ( 1009 PWs) bands (ev): -5.0454 -4.9437 -3.9002 -3.8908 -3.6573 -3.3169 -3.1186 -3.0776 -2.9222 -2.9205 -2.3126 -2.0994 5.9110 5.9193 7.9230 7.9982 9.3147 9.3383 13.2862 13.3398 17.1412 17.2651 17.7736 17.8754 20.1159 20.1168 k = 0.1930 0.1114 0.3152 ( 1009 PWs) bands (ev): -5.0385 -4.9400 -3.9044 -3.8927 -3.6621 -3.3269 -3.1205 -3.0777 -2.9252 -2.9240 -2.3721 -2.1601 5.9996 6.0096 8.0097 8.0839 9.3481 9.3716 13.1771 13.2304 17.1998 17.3054 17.8577 17.9382 20.1136 20.1136 k = 0.1875 0.1083 0.3062 ( 1009 PWs) bands (ev): -5.0314 -4.9363 -3.9084 -3.8947 -3.6674 -3.3379 -3.1223 -3.0778 -2.9282 -2.9276 -2.4300 -2.2198 6.0906 6.1022 8.0964 8.1695 9.3804 9.4038 13.0686 13.1216 17.2534 17.3404 17.9503 18.0092 20.1091 20.1103 k = 0.1820 0.1051 0.2972 ( 1009 PWs) bands (ev): -5.0242 -4.9326 -3.9124 -3.8967 -3.6732 -3.3499 -3.1241 -3.0781 -2.9313 -2.9312 -2.4860 -2.2784 6.1839 6.1970 8.1828 8.2549 9.4116 9.4349 12.9607 13.0134 17.3032 17.3728 18.0485 18.0870 20.1032 20.1055 k = 0.1765 0.1019 0.2882 ( 1009 PWs) bands (ev): -5.0169 -4.9288 -3.9162 -3.8989 -3.6793 -3.3631 -3.1261 -3.0786 -2.9351 -2.9342 -2.5397 -2.3355 6.2794 6.2938 8.2689 8.3398 9.4418 9.4649 12.8536 12.9058 17.3506 17.4047 18.1498 18.1699 20.0957 20.0992 k = 0.1710 0.0987 0.2792 ( 1009 PWs) bands (ev): -5.0094 -4.9250 -3.9200 -3.9010 -3.6860 -3.3776 -3.1281 -3.0793 -2.9390 -2.9372 -2.5910 -2.3911 6.3768 6.3924 8.3543 8.4240 9.4709 9.4937 12.7472 12.7989 17.3967 17.4373 18.2527 18.2564 20.0862 20.0911 k = 0.1654 0.0955 0.2702 ( 1007 PWs) bands (ev): -5.0018 -4.9211 -3.9236 -3.9033 -3.6931 -3.3935 -3.1303 -3.0802 -2.9429 -2.9403 -2.6395 -2.4449 6.4760 6.4929 8.4389 8.5074 9.4988 9.5213 12.6417 12.6927 17.4427 17.4718 18.3451 18.3557 20.0748 20.0811 k = 0.1599 0.0923 0.2612 ( 1003 PWs) bands (ev): -4.9942 -4.9173 -3.9272 -3.9055 -3.7007 -3.4109 -3.1327 -3.0814 -2.9468 -2.9432 -2.6849 -2.4968 6.5770 6.5948 8.5225 8.5898 9.5256 9.5479 12.5370 12.5873 17.4895 17.5087 18.4345 18.4579 20.0614 20.0691 k = 0.1544 0.0891 0.2522 ( 995 PWs) bands (ev): -4.9865 -4.9136 -3.9306 -3.9078 -3.7087 -3.4299 -3.1355 -3.0830 -2.9507 -2.9461 -2.7269 -2.5465 6.6795 6.6982 8.6050 8.6709 9.5514 9.5733 12.4331 12.4827 17.5379 17.5485 18.5236 18.5582 20.0461 20.0552 k = 0.1489 0.0860 0.2431 ( 995 PWs) bands (ev): -4.9788 -4.9098 -3.9339 -3.9102 -3.7173 -3.4505 -3.1387 -3.0851 -2.9547 -2.9491 -2.7654 -2.5940 6.7833 6.8029 8.6860 8.7504 9.5760 9.5975 12.3300 12.3788 17.5881 17.5915 18.6112 18.6557 20.0290 20.0395 k = 0.1434 0.0828 0.2341 ( 995 PWs) bands (ev): -4.9711 -4.9062 -3.9372 -3.9126 -3.7263 -3.4727 -3.1424 -3.0878 -2.9585 -2.9520 -2.8002 -2.6389 6.8884 6.9087 8.7653 8.8284 9.5996 9.6206 12.2278 12.2757 17.6378 17.6408 18.6964 18.7496 20.0102 20.0222 k = 0.1379 0.0796 0.2251 ( 999 PWs) bands (ev): -4.9634 -4.9026 -3.9404 -3.9151 -3.7358 -3.4966 -3.1467 -3.0912 -2.9624 -2.9549 -2.8313 -2.6811 6.9946 7.0154 8.8429 8.9045 9.6220 9.6426 12.1264 12.1733 17.6876 17.6962 18.7782 18.8392 19.9901 20.0036 k = 0.1324 0.0764 0.2161 ( 999 PWs) bands (ev): -4.9558 -4.8991 -3.9435 -3.9176 -3.7458 -3.5218 -3.1515 -3.0954 -2.9661 -2.9577 -2.8586 -2.7204 7.1019 7.1231 8.9186 8.9785 9.6434 9.6635 12.0259 12.0718 17.7409 17.7543 18.8559 18.9237 19.9689 19.9838 k = 0.1268 0.0732 0.2071 ( 997 PWs) bands (ev): -4.9482 -4.8957 -3.9464 -3.9202 -3.7562 -3.5482 -3.1569 -3.1006 -2.9697 -2.9604 -2.8823 -2.7566 7.2100 7.2315 8.9921 9.0504 9.6637 9.6832 11.9263 11.9710 17.7977 17.8153 18.9287 19.0023 19.9471 19.9634 k = 0.1213 0.0700 0.1981 ( 997 PWs) bands (ev): -4.9408 -4.8925 -3.9492 -3.9227 -3.7671 -3.5756 -3.1629 -3.1068 -2.9732 -2.9630 -2.9024 -2.7896 7.3189 7.3405 9.0634 9.1199 9.6829 9.7019 11.8274 11.8710 17.8578 17.8791 18.9958 19.0743 19.9252 19.9427 k = 0.1158 0.0669 0.1891 ( 997 PWs) bands (ev): -4.9335 -4.8893 -3.9519 -3.9253 -3.7783 -3.6037 -3.1694 -3.1142 -2.9765 -2.9655 -2.9193 -2.8191 7.4283 7.4500 9.1322 9.1870 9.7012 9.7196 11.7293 11.7716 17.9211 17.9457 19.0568 19.1390 19.9034 19.9220 k = 0.1103 0.0637 0.1801 ( 997 PWs) bands (ev): -4.9265 -4.8863 -3.9545 -3.9279 -3.7899 -3.6321 -3.1764 -3.1228 -2.9797 -2.9679 -2.9334 -2.8452 7.5383 7.5599 9.1985 9.2514 9.7183 9.7360 11.6319 11.6729 17.9874 18.0147 19.1114 19.1962 19.8824 19.9017 k = 0.1048 0.0605 0.1711 ( 997 PWs) bands (ev): -4.9196 -4.8835 -3.9569 -3.9305 -3.8018 -3.6607 -3.1837 -3.1326 -2.9826 -2.9702 -2.9449 -2.8679 7.6486 7.6700 9.2621 9.3130 9.7345 9.7516 11.5352 11.5748 18.0563 18.0859 19.1592 19.2453 19.8626 19.8821 k = 0.0993 0.0573 0.1621 ( 997 PWs) bands (ev): -4.9130 -4.8808 -3.9592 -3.9331 -3.8139 -3.6891 -3.1912 -3.1434 -2.9854 -2.9724 -2.9543 -2.8874 7.7592 7.7802 9.3229 9.3717 9.7498 9.7661 11.4391 11.4773 18.1273 18.1588 19.2004 19.2865 19.8441 19.8635 k = 0.0938 0.0541 0.1531 ( 997 PWs) bands (ev): -4.9066 -4.8782 -3.9614 -3.9357 -3.8262 -3.7170 -3.1988 -3.1550 -2.9879 -2.9744 -2.9618 -2.9038 7.8699 7.8905 9.3808 9.4275 9.7641 9.7797 11.3436 11.3803 18.2000 18.2329 19.2355 19.3201 19.8272 19.8459 k = 0.0882 0.0509 0.1441 ( 993 PWs) bands (ev): -4.9006 -4.8758 -3.9633 -3.9383 -3.8387 -3.7441 -3.2064 -3.1672 -2.9901 -2.9762 -2.9679 -2.9176 7.9806 8.0006 9.4358 9.4803 9.7775 9.7924 11.2487 11.2837 18.2737 18.3074 19.2651 19.3469 19.8120 19.8294 k = 0.0827 0.0478 0.1351 ( 993 PWs) bands (ev): -4.8949 -4.8736 -3.9651 -3.9408 -3.8511 -3.7703 -3.2138 -3.1796 -2.9919 -2.9779 -2.9728 -2.9292 8.0912 8.1105 9.4876 9.5299 9.7900 9.8040 11.1542 11.1876 18.3474 18.3814 19.2903 19.3678 19.7981 19.8138 k = 0.0772 0.0446 0.1261 ( 993 PWs) bands (ev): -4.8895 -4.8715 -3.9668 -3.9433 -3.8635 -3.7953 -3.2212 -3.1919 -2.9935 -2.9794 -2.9768 -2.9388 8.2016 8.2200 9.5364 9.5762 9.8016 9.8148 11.0600 11.0917 18.4204 18.4539 19.3125 19.3845 19.7854 19.7990 k = 0.0717 0.0414 0.1171 ( 993 PWs) bands (ev): -4.8845 -4.8695 -3.9682 -3.9458 -3.8757 -3.8189 -3.2282 -3.2038 -2.9947 -2.9808 -2.9801 -2.9469 8.3116 8.3291 9.5819 9.6193 9.8123 9.8247 10.9663 10.9961 18.4913 18.5236 19.3332 19.3986 19.7734 19.7848 k = 0.0662 0.0382 0.1081 ( 989 PWs) bands (ev): -4.8800 -4.8677 -3.9695 -3.9482 -3.8876 -3.8411 -3.2350 -3.2151 -2.9956 -2.9827 -2.9820 -2.9537 8.4212 8.4377 9.6243 9.6592 9.8223 9.8337 10.8728 10.9008 18.5589 18.5891 19.3540 19.4120 19.7618 19.7711 k = 0.0607 0.0350 0.0991 ( 989 PWs) bands (ev): -4.8758 -4.8660 -3.9706 -3.9505 -3.8991 -3.8616 -3.2414 -3.2257 -2.9962 -2.9849 -2.9831 -2.9595 8.5302 8.5456 9.6635 9.6957 9.8313 9.8419 10.7795 10.8056 18.6218 18.6490 19.3764 19.4263 19.7505 19.7577 k = 0.0551 0.0318 0.0901 ( 991 PWs) bands (ev): -4.8721 -4.8645 -3.9715 -3.9528 -3.9101 -3.8805 -3.2475 -3.2354 -2.9965 -2.9867 -2.9841 -2.9645 8.6385 8.6526 9.6993 9.7289 9.8396 9.8492 10.6863 10.7105 18.6785 18.7020 19.4019 19.4432 19.7392 19.7447 k = 0.0496 0.0287 0.0810 ( 989 PWs) bands (ev): -4.8688 -4.8631 -3.9722 -3.9550 -3.9205 -3.8976 -3.2531 -3.2441 -2.9966 -2.9880 -2.9850 -2.9688 8.7460 8.7587 9.7319 9.7587 9.8471 9.8558 10.5934 10.6155 18.7280 18.7471 19.4310 19.4637 19.7281 19.7322 k = 0.0441 0.0255 0.0720 ( 979 PWs) bands (ev): -4.8659 -4.8618 -3.9727 -3.9571 -3.9302 -3.9129 -3.2583 -3.2518 -2.9965 -2.9891 -2.9858 -2.9725 8.8525 8.8638 9.7614 9.7854 9.8541 9.8618 10.5006 10.5207 18.7694 18.7840 19.4636 19.4882 19.7172 19.7202 k = 0.0386 0.0223 0.0630 ( 983 PWs) bands (ev): -4.8634 -4.8606 -3.9730 -3.9592 -3.9391 -3.9264 -3.2630 -3.2586 -2.9962 -2.9899 -2.9866 -2.9758 8.9577 8.9674 9.7875 9.8085 9.8600 9.8667 10.4080 10.4260 18.8027 18.8131 19.4988 19.5161 19.7068 19.7089 k = 0.0331 0.0191 0.0540 ( 977 PWs) bands (ev): -4.8614 -4.8596 -3.9731 -3.9611 -3.9470 -3.9379 -3.2671 -3.2644 -2.9958 -2.9905 -2.9872 -2.9787 9.0616 9.0696 9.8104 9.8284 9.8652 9.8708 10.3159 10.3318 18.8283 18.8351 19.5350 19.5463 19.6972 19.6986 k = 0.0276 0.0159 0.0450 ( 977 PWs) bands (ev): -4.8597 -4.8586 -3.9731 -3.9629 -3.9539 -3.9477 -3.2708 -3.2691 -2.9952 -2.9908 -2.9879 -2.9813 9.1633 9.1697 9.8299 9.8448 9.8697 9.8743 10.2245 10.2383 18.8473 18.8512 19.5703 19.5769 19.6885 19.6894 k = 0.0221 0.0127 0.0360 ( 967 PWs) bands (ev): -4.8584 -4.8578 -3.9728 -3.9646 -3.9597 -3.9555 -3.2737 -3.2729 -2.9945 -2.9910 -2.9884 -2.9835 9.2623 9.2669 9.8462 9.8580 9.8735 9.8769 10.1347 10.1462 18.8607 18.8627 19.6024 19.6058 19.6810 19.6816 k = 0.0165 0.0096 0.0270 ( 965 PWs) bands (ev): -4.8574 -4.8572 -3.9723 -3.9661 -3.9642 -3.9616 -3.2761 -3.2758 -2.9936 -2.9910 -2.9890 -2.9855 9.3566 9.3596 9.8593 9.8679 9.8765 9.8789 10.0480 10.0572 18.8697 18.8706 19.6295 19.6309 19.6749 19.6753 k = 0.0110 0.0064 0.0180 ( 965 PWs) bands (ev): -4.8568 -4.8567 -3.9717 -3.9676 -3.9675 -3.9660 -3.2779 -3.2778 -2.9927 -2.9909 -2.9895 -2.9873 9.4426 9.4439 9.8691 9.8744 9.8789 9.8800 9.9681 9.9748 18.8754 18.8756 19.6499 19.6503 19.6705 19.6707 k = 0.0055 0.0032 0.0090 ( 965 PWs) bands (ev): -4.8564 -4.8564 -3.9709 -3.9695 -3.9690 -3.9686 -3.2790 -3.2790 -2.9916 -2.9907 -2.9900 -2.9889 9.5102 9.5105 9.8757 9.8781 9.8801 9.8804 9.9049 9.9086 18.8785 18.8785 19.6626 19.6626 19.6678 19.6679 k = 0.0000 0.0000 0.0000 ( 965 PWs) bands (ev): -4.8563 -4.8563 -3.9699 -3.9699 -3.9699 -3.9699 -3.2794 -3.2794 -2.9903 -2.9903 -2.9903 -2.9903 9.5383 9.5383 9.8788 9.8788 9.8800 9.8800 9.8800 9.8800 18.8794 18.8794 19.6669 19.6669 19.6669 19.6669 k = 0.0000 0.0000 0.0000 ( 965 PWs) bands (ev): -4.8563 -4.8563 -3.9699 -3.9699 -3.9699 -3.9699 -3.2794 -3.2794 -2.9903 -2.9903 -2.9903 -2.9903 9.5383 9.5383 9.8788 9.8788 9.8800 9.8800 9.8800 9.8800 18.8794 18.8794 19.6669 19.6669 19.6669 19.6669 k = 0.0091 0.0052 0.0037 ( 965 PWs) bands (ev): -4.8564 -4.8564 -3.9710 -3.9691 -3.9691 -3.9687 -3.2790 -3.2790 -2.9916 -2.9903 -2.9903 -2.9889 9.5098 9.5098 9.8782 9.8782 9.8784 9.8800 9.9070 9.9070 18.8785 18.8785 19.6624 19.6624 19.6679 19.6680 k = 0.0182 0.0105 0.0074 ( 965 PWs) bands (ev): -4.8567 -4.8567 -3.9719 -3.9674 -3.9667 -3.9667 -3.2778 -3.2778 -2.9928 -2.9902 -2.9902 -2.9872 9.4414 9.4414 9.8753 9.8758 9.8758 9.8785 9.9716 9.9716 18.8754 18.8754 19.6494 19.6494 19.6710 19.6712 k = 0.0273 0.0157 0.0111 ( 965 PWs) bands (ev): -4.8573 -4.8573 -3.9727 -3.9660 -3.9626 -3.9626 -3.2759 -3.2759 -2.9937 -2.9900 -2.9900 -2.9854 9.3544 9.3544 9.8706 9.8717 9.8717 9.8755 10.0523 10.0523 18.8699 18.8699 19.6285 19.6285 19.6762 19.6765 k = 0.0364 0.0210 0.0148 ( 974 PWs) bands (ev): -4.8582 -4.8582 -3.9734 -3.9645 -3.9571 -3.9571 -3.2732 -3.2732 -2.9945 -2.9897 -2.9897 -2.9835 9.2584 9.2584 9.8645 9.8660 9.8660 9.8710 10.1392 10.1392 18.8610 18.8610 19.6013 19.6013 19.6834 19.6838 k = 0.0455 0.0262 0.0186 ( 977 PWs) bands (ev): -4.8592 -4.8592 -3.9740 -3.9629 -3.9499 -3.9499 -3.2698 -3.2698 -2.9951 -2.9893 -2.9893 -2.9814 9.1573 9.1573 9.8568 9.8587 9.8587 9.8649 10.2289 10.2289 18.8478 18.8478 19.5696 19.5696 19.6925 19.6930 k = 0.0545 0.0315 0.0223 ( 977 PWs) bands (ev): -4.8606 -4.8606 -3.9744 -3.9612 -3.9412 -3.9412 -3.2655 -3.2655 -2.9954 -2.9887 -2.9887 -2.9791 9.0528 9.0528 9.8477 9.8499 9.8499 9.8574 10.3196 10.3196 18.8289 18.8289 19.5359 19.5359 19.7034 19.7040 k = 0.0636 0.0367 0.0260 ( 980 PWs) bands (ev): -4.8622 -4.8622 -3.9748 -3.9594 -3.9309 -3.9309 -3.2605 -3.2605 -2.9956 -2.9879 -2.9879 -2.9766 8.9455 8.9455 9.8371 9.8395 9.8395 9.8483 10.4105 10.4105 18.8027 18.8027 19.5026 19.5026 19.7159 19.7166 k = 0.0727 0.0420 0.0297 ( 980 PWs) bands (ev): -4.8640 -4.8640 -3.9750 -3.9576 -3.9192 -3.9192 -3.2547 -3.2547 -2.9955 -2.9868 -2.9868 -2.9740 8.8359 8.8359 9.8253 9.8278 9.8278 9.8379 10.5013 10.5013 18.7677 18.7677 19.4722 19.4722 19.7299 19.7307 k = 0.0818 0.0472 0.0334 ( 992 PWs) bands (ev): -4.8662 -4.8662 -3.9751 -3.9557 -3.9061 -3.9061 -3.2482 -3.2482 -2.9953 -2.9854 -2.9854 -2.9714 8.7241 8.7241 9.8121 9.8146 9.8146 9.8262 10.5916 10.5916 18.7230 18.7230 19.4468 19.4468 19.7451 19.7461 k = 0.0909 0.0525 0.0371 ( 992 PWs) bands (ev): -4.8687 -4.8687 -3.9751 -3.9537 -3.8917 -3.8917 -3.2410 -3.2410 -2.9948 -2.9835 -2.9835 -2.9685 8.6105 8.6105 9.7977 9.8001 9.8001 9.8131 10.6815 10.6815 18.6683 18.6683 19.4275 19.4275 19.7614 19.7625 k = 0.1000 0.0577 0.0408 ( 992 PWs) bands (ev): -4.8714 -4.8714 -3.9749 -3.9517 -3.8759 -3.8759 -3.2331 -3.2331 -2.9941 -2.9809 -2.9809 -2.9654 8.4950 8.4950 9.7821 9.7843 9.7843 9.7989 10.7708 10.7708 18.6041 18.6041 19.4148 19.4148 19.7785 19.7797 k = 0.1091 0.0630 0.0445 ( 995 PWs) bands (ev): -4.8745 -4.8745 -3.9746 -3.9497 -3.8591 -3.8591 -3.2247 -3.2247 -2.9932 -2.9777 -2.9777 -2.9623 8.3777 8.3777 9.7654 9.7673 9.7673 9.7834 10.8594 10.8594 18.5316 18.5316 19.4081 19.4081 19.7961 19.7974 k = 0.1182 0.0682 0.0482 ( 989 PWs) bands (ev): -4.8779 -4.8779 -3.9742 -3.9475 -3.8411 -3.8411 -3.2157 -3.2157 -2.9919 -2.9735 -2.9735 -2.9590 8.2587 8.2587 9.7477 9.7492 9.7492 9.7669 10.9473 10.9473 18.4522 18.4522 19.4068 19.4068 19.8140 19.8154 k = 0.1273 0.0735 0.0520 ( 989 PWs) bands (ev): -4.8816 -4.8816 -3.9737 -3.9454 -3.8222 -3.8222 -3.2065 -3.2065 -2.9905 -2.9681 -2.9681 -2.9556 8.1381 8.1381 9.7289 9.7299 9.7299 9.7493 11.0345 11.0345 18.3677 18.3677 19.4096 19.4096 19.8319 19.8333 k = 0.1364 0.0787 0.0557 ( 989 PWs) bands (ev): -4.8856 -4.8856 -3.9731 -3.9433 -3.8026 -3.8026 -3.1971 -3.1971 -2.9889 -2.9612 -2.9612 -2.9520 8.0159 8.0159 9.7092 9.7097 9.7097 9.7306 11.1209 11.1209 18.2793 18.2793 19.4157 19.4157 19.8494 19.8509 k = 0.1455 0.0840 0.0594 ( 989 PWs) bands (ev): -4.8899 -4.8899 -3.9725 -3.9413 -3.7822 -3.7822 -3.1877 -3.1877 -2.9870 -2.9526 -2.9526 -2.9484 7.8922 7.8922 9.6886 9.6886 9.6887 9.7111 11.2064 11.2064 18.1886 18.1886 19.4241 19.4241 19.8663 19.8678 k = 0.1545 0.0892 0.0631 ( 989 PWs) bands (ev): -4.8946 -4.8946 -3.9717 -3.9392 -3.7614 -3.7614 -3.1787 -3.1787 -2.9849 -2.9446 -2.9417 -2.9417 7.7671 7.7671 9.6666 9.6666 9.6674 9.6907 11.2911 11.2911 18.0964 18.0964 19.4340 19.4340 19.8823 19.8837 k = 0.1636 0.0945 0.0668 ( 989 PWs) bands (ev): -4.8995 -4.8995 -3.9709 -3.9372 -3.7402 -3.7402 -3.1702 -3.1702 -2.9825 -2.9408 -2.9284 -2.9284 7.6406 7.6406 9.6438 9.6438 9.6454 9.6695 11.3748 11.3748 18.0038 18.0038 19.4448 19.4448 19.8971 19.8985 k = 0.1727 0.0997 0.0705 ( 989 PWs) bands (ev): -4.9047 -4.9047 -3.9700 -3.9352 -3.7188 -3.7188 -3.1625 -3.1625 -2.9799 -2.9368 -2.9123 -2.9123 7.5129 7.5129 9.6204 9.6204 9.6229 9.6477 11.4575 11.4575 17.9116 17.9116 19.4559 19.4559 19.9103 19.9116 k = 0.1818 0.1050 0.0742 ( 989 PWs) bands (ev): -4.9101 -4.9101 -3.9691 -3.9333 -3.6974 -3.6974 -3.1556 -3.1556 -2.9771 -2.9328 -2.8930 -2.8930 7.3841 7.3841 9.5964 9.5964 9.5998 9.6253 11.5392 11.5392 17.8203 17.8203 19.4667 19.4667 19.9219 19.9230 k = 0.1909 0.1102 0.0779 ( 989 PWs) bands (ev): -4.9159 -4.9159 -3.9681 -3.9315 -3.6760 -3.6760 -3.1499 -3.1499 -2.9741 -2.9287 -2.8704 -2.8704 7.2543 7.2543 9.5719 9.5719 9.5762 9.6023 11.6197 11.6197 17.7306 17.7306 19.4769 19.4769 19.9315 19.9324 k = 0.2000 0.1155 0.0816 ( 995 PWs) bands (ev): -4.9218 -4.9218 -3.9671 -3.9298 -3.6549 -3.6549 -3.1451 -3.1451 -2.9708 -2.9245 -2.8446 -2.8446 7.1236 7.1236 9.5470 9.5470 9.5523 9.5789 11.6989 11.6989 17.6428 17.6428 19.4860 19.4860 19.9389 19.9396 k = 0.2091 0.1207 0.0854 ( 1001 PWs) bands (ev): -4.9279 -4.9279 -3.9660 -3.9282 -3.6342 -3.6342 -3.1415 -3.1415 -2.9674 -2.9203 -2.8153 -2.8153 6.9922 6.9922 9.5216 9.5216 9.5281 9.5551 11.7769 11.7769 17.5574 17.5574 19.4939 19.4939 19.9440 19.9445 k = 0.2182 0.1260 0.0891 ( 1001 PWs) bands (ev): -4.9343 -4.9343 -3.9649 -3.9266 -3.6139 -3.6139 -3.1387 -3.1387 -2.9637 -2.9160 -2.7827 -2.7827 6.8602 6.8602 9.4962 9.4962 9.5037 9.5310 11.8534 11.8534 17.4747 17.4747 19.5003 19.5003 19.9468 19.9469 k = 0.2273 0.1312 0.0928 ( 1001 PWs) bands (ev): -4.9407 -4.9407 -3.9638 -3.9251 -3.5942 -3.5942 -3.1367 -3.1367 -2.9598 -2.9117 -2.7468 -2.7468 6.7278 6.7278 9.4705 9.4705 9.4793 9.5068 11.9284 11.9284 17.3949 17.3949 19.5050 19.5050 19.9468 19.9471 k = 0.2364 0.1365 0.0965 ( 1001 PWs) bands (ev): -4.9473 -4.9473 -3.9626 -3.9238 -3.5751 -3.5751 -3.1355 -3.1355 -2.9557 -2.9074 -2.7080 -2.7080 6.5952 6.5952 9.4448 9.4448 9.4548 9.4824 12.0018 12.0018 17.3183 17.3183 19.5078 19.5078 19.9442 19.9449 k = 0.2455 0.1417 0.1002 ( 1001 PWs) bands (ev): -4.9540 -4.9540 -3.9614 -3.9225 -3.5566 -3.5566 -3.1349 -3.1349 -2.9515 -2.9030 -2.6662 -2.6662 6.4626 6.4626 9.4191 9.4191 9.4303 9.4580 12.0735 12.0735 17.2449 17.2449 19.5088 19.5088 19.9391 19.9403 k = 0.2545 0.1470 0.1039 ( 1001 PWs) bands (ev): -4.9608 -4.9608 -3.9602 -3.9214 -3.5389 -3.5389 -3.1347 -3.1347 -2.9471 -2.8987 -2.6218 -2.6218 6.3301 6.3301 9.3935 9.3935 9.4060 9.4337 12.1432 12.1432 17.1750 17.1750 19.5080 19.5080 19.9317 19.9333 k = 0.2636 0.1522 0.1076 ( 1007 PWs) bands (ev): -4.9677 -4.9677 -3.9590 -3.9204 -3.5219 -3.5219 -3.1351 -3.1351 -2.9426 -2.8944 -2.5748 -2.5748 6.1979 6.1979 9.3681 9.3681 9.3818 9.4093 12.2111 12.2111 17.1086 17.1086 19.5052 19.5052 19.9221 19.9241 k = 0.2727 0.1575 0.1113 ( 1007 PWs) bands (ev): -4.9745 -4.9745 -3.9578 -3.9195 -3.5056 -3.5056 -3.1357 -3.1357 -2.9379 -2.8901 -2.5256 -2.5256 6.0664 6.0664 9.3429 9.3429 9.3580 9.3853 12.2768 12.2768 17.0459 17.0459 19.5006 19.5006 19.9104 19.9129 k = 0.2818 0.1627 0.1151 ( 1010 PWs) bands (ev): -4.9814 -4.9814 -3.9566 -3.9187 -3.4900 -3.4900 -3.1366 -3.1366 -2.9331 -2.8858 -2.4744 -2.4744 5.9358 5.9358 9.3180 9.3180 9.3345 9.3615 12.3403 12.3403 16.9869 16.9869 19.4944 19.4944 19.8968 19.8997 k = 0.2909 0.1680 0.1188 ( 1011 PWs) bands (ev): -4.9882 -4.9882 -3.9553 -3.9181 -3.4752 -3.4752 -3.1378 -3.1378 -2.9282 -2.8816 -2.4213 -2.4213 5.8062 5.8062 9.2936 9.2936 9.3114 9.3380 12.4014 12.4014 16.9316 16.9316 19.4866 19.4866 19.8816 19.8849 k = 0.3000 0.1732 0.1225 ( 1011 PWs) bands (ev): -4.9950 -4.9950 -3.9541 -3.9176 -3.4610 -3.4610 -3.1391 -3.1391 -2.9232 -2.8775 -2.3667 -2.3667 5.6781 5.6781 9.2696 9.2696 9.2888 9.3149 12.4602 12.4602 16.8799 16.8799 19.4773 19.4773 19.8650 19.8687 k = 0.3091 0.1785 0.1262 ( 1002 PWs) bands (ev): -5.0016 -5.0016 -3.9528 -3.9171 -3.4475 -3.4475 -3.1405 -3.1405 -2.9181 -2.8734 -2.3107 -2.3107 5.5516 5.5516 9.2462 9.2462 9.2669 9.2924 12.5166 12.5166 16.8321 16.8321 19.4668 19.4668 19.8472 19.8512 k = 0.3182 0.1837 0.1299 ( 1008 PWs) bands (ev): -5.0082 -5.0082 -3.9516 -3.9169 -3.4348 -3.4348 -3.1421 -3.1421 -2.9131 -2.8695 -2.2538 -2.2538 5.4269 5.4269 9.2234 9.2234 9.2454 9.2703 12.5702 12.5702 16.7878 16.7878 19.4552 19.4552 19.8284 19.8327 k = 0.3273 0.1890 0.1336 ( 1008 PWs) bands (ev): -5.0146 -5.0146 -3.9504 -3.9167 -3.4227 -3.4227 -3.1437 -3.1437 -2.9081 -2.8657 -2.1961 -2.1961 5.3045 5.3045 9.2013 9.2013 9.2247 9.2489 12.6212 12.6212 16.7471 16.7471 19.4427 19.4427 19.8090 19.8135 k = 0.3364 0.1942 0.1373 ( 1008 PWs) bands (ev): -5.0209 -5.0209 -3.9492 -3.9166 -3.4112 -3.4112 -3.1454 -3.1454 -2.9030 -2.8620 -2.1380 -2.1380 5.1847 5.1847 9.1799 9.1799 9.2047 9.2281 12.6695 12.6695 16.7098 16.7098 19.4295 19.4295 19.7891 19.7938 k = 0.3455 0.1994 0.1410 ( 1008 PWs) bands (ev): -5.0270 -5.0270 -3.9480 -3.9166 -3.4004 -3.4004 -3.1470 -3.1470 -2.8980 -2.8586 -2.0798 -2.0798 5.0679 5.0679 9.1593 9.1593 9.1855 9.2080 12.7150 12.7150 16.6760 16.6760 19.4158 19.4158 19.7690 19.7738 k = 0.3545 0.2047 0.1447 ( 1008 PWs) bands (ev): -5.0328 -5.0328 -3.9468 -3.9168 -3.3903 -3.3903 -3.1487 -3.1487 -2.8930 -2.8552 -2.0217 -2.0217 4.9544 4.9544 9.1396 9.1396 9.1672 9.1887 12.7577 12.7577 16.6454 16.6454 19.4019 19.4019 19.7489 19.7538 k = 0.3636 0.2099 0.1485 ( 1008 PWs) bands (ev): -5.0384 -5.0384 -3.9456 -3.9170 -3.3807 -3.3807 -3.1503 -3.1503 -2.8881 -2.8521 -1.9642 -1.9642 4.8445 4.8445 9.1207 9.1207 9.1497 9.1703 12.7975 12.7975 16.6180 16.6180 19.3878 19.3878 19.7291 19.7340 k = 0.3727 0.2152 0.1522 ( 1014 PWs) bands (ev): -5.0438 -5.0438 -3.9444 -3.9174 -3.3719 -3.3719 -3.1519 -3.1519 -2.8834 -2.8493 -1.9076 -1.9076 4.7386 4.7386 9.1028 9.1028 9.1332 9.1526 12.8345 12.8345 16.5934 16.5934 19.3737 19.3737 19.7096 19.7145 k = 0.3818 0.2204 0.1559 ( 1017 PWs) bands (ev): -5.0489 -5.0489 -3.9432 -3.9178 -3.3636 -3.3636 -3.1535 -3.1535 -2.8787 -2.8466 -1.8522 -1.8522 4.6373 4.6373 9.0859 9.0859 9.1176 9.1360 12.8686 12.8686 16.5716 16.5716 19.3599 19.3599 19.6907 19.6955 k = 0.3909 0.2257 0.1596 ( 1017 PWs) bands (ev): -5.0537 -5.0537 -3.9420 -3.9183 -3.3560 -3.3560 -3.1549 -3.1549 -2.8742 -2.8442 -1.7986 -1.7986 4.5408 4.5408 9.0702 9.0702 9.1032 9.1203 12.9000 12.9000 16.5525 16.5525 19.3464 19.3464 19.6727 19.6773 k = 0.4000 0.2309 0.1633 ( 1017 PWs) bands (ev): -5.0581 -5.0581 -3.9409 -3.9189 -3.3489 -3.3489 -3.1563 -3.1563 -2.8698 -2.8420 -1.7470 -1.7470 4.4498 4.4498 9.0555 9.0555 9.0898 9.1057 12.9285 12.9285 16.5359 16.5359 19.3335 19.3335 19.6555 19.6599 k = 0.4091 0.2362 0.1670 ( 1017 PWs) bands (ev): -5.0623 -5.0623 -3.9397 -3.9195 -3.3425 -3.3425 -3.1575 -3.1575 -2.8656 -2.8401 -1.6979 -1.6979 4.3645 4.3645 9.0419 9.0419 9.0775 9.0922 12.9544 12.9544 16.5214 16.5214 19.3213 19.3213 19.6394 19.6436 k = 0.4182 0.2414 0.1707 ( 1023 PWs) bands (ev): -5.0661 -5.0661 -3.9386 -3.9203 -3.3367 -3.3367 -3.1588 -3.1588 -2.8617 -2.8385 -1.6518 -1.6518 4.2855 4.2855 9.0295 9.0295 9.0663 9.0797 12.9775 12.9775 16.5091 16.5091 19.3099 19.3099 19.6245 19.6284 k = 0.4273 0.2467 0.1744 ( 1023 PWs) bands (ev): -5.0695 -5.0695 -3.9375 -3.9210 -3.3314 -3.3314 -3.1598 -3.1598 -2.8579 -2.8371 -1.6090 -1.6090 4.2133 4.2133 9.0184 9.0184 9.0564 9.0683 12.9980 12.9980 16.4986 16.4986 19.2993 19.2993 19.6110 19.6145 k = 0.4364 0.2519 0.1781 ( 1023 PWs) bands (ev): -5.0726 -5.0726 -3.9363 -3.9218 -3.3268 -3.3268 -3.1608 -3.1608 -2.8544 -2.8361 -1.5700 -1.5700 4.1482 4.1482 9.0085 9.0085 9.0476 9.0582 13.0159 13.0159 16.4898 16.4898 19.2898 19.2898 19.5988 19.6020 k = 0.4455 0.2572 0.1819 ( 1026 PWs) bands (ev): -5.0752 -5.0752 -3.9352 -3.9227 -3.3229 -3.3229 -3.1616 -3.1616 -2.8512 -2.8354 -1.5352 -1.5352 4.0908 4.0908 8.9998 8.9998 9.0401 9.0492 13.0312 13.0312 16.4825 16.4825 19.2814 19.2814 19.5881 19.5909 k = 0.4545 0.2624 0.1856 ( 1020 PWs) bands (ev): -5.0775 -5.0775 -3.9340 -3.9236 -3.3195 -3.3195 -3.1623 -3.1623 -2.8481 -2.8349 -1.5050 -1.5050 4.0414 4.0414 8.9926 8.9926 9.0339 9.0415 13.0442 13.0442 16.4767 16.4767 19.2742 19.2742 19.5790 19.5814 k = 0.4636 0.2677 0.1893 ( 1020 PWs) bands (ev): -5.0794 -5.0794 -3.9329 -3.9245 -3.3167 -3.3167 -3.1629 -3.1629 -2.8454 -2.8348 -1.4798 -1.4798 4.0004 4.0004 8.9865 8.9865 9.0289 9.0350 13.0546 13.0546 16.4721 16.4721 19.2681 19.2681 19.5715 19.5734 k = 0.4727 0.2729 0.1930 ( 1020 PWs) bands (ev): -5.0809 -5.0809 -3.9318 -3.9255 -3.3146 -3.3146 -3.1633 -3.1633 -2.8430 -2.8350 -1.4598 -1.4598 3.9682 3.9682 8.9818 8.9818 9.0251 9.0297 13.0627 13.0627 16.4687 16.4687 19.2634 19.2634 19.5657 19.5671 k = 0.4818 0.2782 0.1967 ( 1008 PWs) bands (ev): -5.0818 -5.0818 -3.9307 -3.9265 -3.3130 -3.3130 -3.1636 -3.1636 -2.8408 -2.8354 -1.4452 -1.4452 3.9450 3.9450 8.9785 8.9785 9.0227 9.0258 13.0685 13.0685 16.4667 16.4667 19.2600 19.2600 19.5616 19.5625 k = 0.4909 0.2834 0.2004 ( 1008 PWs) bands (ev): -5.0825 -5.0825 -3.9296 -3.9275 -3.3121 -3.3121 -3.1638 -3.1638 -2.8390 -2.8363 -1.4364 -1.4364 3.9310 3.9310 8.9764 8.9764 9.0215 9.0231 13.0720 13.0720 16.4652 16.4652 19.2579 19.2579 19.5592 19.5597 k = 0.5000 0.2887 0.2041 ( 1008 PWs) bands (ev): -5.0827 -5.0827 -3.9286 -3.9286 -3.3117 -3.3117 -3.1639 -3.1639 -2.8375 -2.8375 -1.4335 -1.4335 3.9263 3.9263 8.9757 8.9757 9.0216 9.0216 13.0731 13.0731 16.4648 16.4648 19.2572 19.2572 19.5585 19.5585 k = 0.5000 0.2887 0.2041 ( 1008 PWs) bands (ev): -5.0827 -5.0827 -3.9286 -3.9286 -3.3117 -3.3117 -3.1639 -3.1639 -2.8375 -2.8375 -1.4335 -1.4335 3.9263 3.9263 8.9757 8.9757 9.0216 9.0216 13.0731 13.0731 16.4648 16.4648 19.2572 19.2572 19.5585 19.5585 k = 0.5032 0.2794 0.2094 ( 1008 PWs) bands (ev): -5.0861 -5.0791 -3.9284 -3.9284 -3.3226 -3.3015 -3.1646 -3.1627 -2.8376 -2.8376 -1.4385 -1.4271 3.9268 3.9280 8.9688 8.9755 9.0183 9.0187 13.0758 13.0817 16.4608 16.4655 19.2535 19.2563 19.5556 19.5557 k = 0.5064 0.2702 0.2146 ( 1008 PWs) bands (ev): -5.0894 -5.0755 -3.9279 -3.9279 -3.3338 -3.2919 -3.1646 -3.1610 -2.8380 -2.8379 -1.4421 -1.4193 3.9294 3.9319 8.9529 8.9677 9.0090 9.0113 13.0896 13.1014 16.4537 16.4630 19.2445 19.2504 19.5477 19.5480 k = 0.5096 0.2609 0.2198 ( 1010 PWs) bands (ev): -5.0926 -5.0717 -3.9272 -3.9271 -3.3455 -3.2831 -3.1641 -3.1590 -2.8386 -2.8384 -1.4443 -1.4101 3.9342 3.9379 8.9261 8.9500 8.9964 9.0016 13.1143 13.1317 16.4433 16.4572 19.2284 19.2379 19.5373 19.5382 k = 0.5128 0.2517 0.2251 ( 1012 PWs) bands (ev): -5.0957 -5.0679 -3.9261 -3.9259 -3.3576 -3.2752 -3.1627 -3.1566 -2.8395 -2.8391 -1.4449 -1.3997 3.9411 3.9461 8.8882 8.9199 8.9834 8.9907 13.1496 13.1722 16.4297 16.4481 19.2031 19.2167 19.5279 19.5297 k = 0.5160 0.2424 0.2303 ( 1011 PWs) bands (ev): -5.0986 -5.0641 -3.9248 -3.9243 -3.3698 -3.2682 -3.1604 -3.1540 -2.8406 -2.8400 -1.4440 -1.3881 3.9501 3.9565 8.8399 8.8781 8.9701 8.9784 13.1946 13.2223 16.4129 16.4358 19.1671 19.1853 19.5229 19.5259 k = 0.5192 0.2332 0.2355 ( 1011 PWs) bands (ev): -5.1014 -5.0602 -3.9233 -3.9223 -3.3822 -3.2621 -3.1573 -3.1511 -2.8420 -2.8409 -1.4416 -1.3753 3.9613 3.9689 8.7823 8.8261 8.9556 8.9645 13.2488 13.2809 16.3929 16.4202 19.1205 19.1435 19.5244 19.5283 k = 0.5224 0.2239 0.2408 ( 1011 PWs) bands (ev): -5.1041 -5.0563 -3.9214 -3.9199 -3.3948 -3.2570 -3.1534 -3.1480 -2.8437 -2.8420 -1.4378 -1.3614 3.9746 3.9834 8.7164 8.7654 8.9395 8.9489 13.3112 13.3474 16.3697 16.4013 19.0648 19.0925 19.5328 19.5374 k = 0.5256 0.2147 0.2460 ( 1007 PWs) bands (ev): -5.1066 -5.0524 -3.9194 -3.9172 -3.4074 -3.2528 -3.1486 -3.1447 -2.8457 -2.8432 -1.4324 -1.3465 3.9900 4.0001 8.6432 8.6969 8.9215 8.9314 13.3810 13.4208 16.3433 16.3791 19.0023 19.0347 19.5475 19.5525 k = 0.5288 0.2054 0.2512 ( 1007 PWs) bands (ev): -5.1091 -5.0486 -3.9172 -3.9140 -3.4200 -3.2494 -3.1431 -3.1412 -2.8479 -2.8444 -1.4256 -1.3306 4.0074 4.0187 8.5636 8.6216 8.9016 8.9119 13.4573 13.5003 16.3139 16.3535 18.9354 18.9724 19.5676 19.5729 k = 0.5321 0.1962 0.2565 ( 1007 PWs) bands (ev): -5.1114 -5.0448 -3.9148 -3.9105 -3.4326 -3.2467 -3.1377 -3.1370 -2.8504 -2.8456 -1.4174 -1.3138 4.0268 4.0394 8.4784 8.5404 8.8798 8.8906 13.5390 13.5847 16.2815 16.3248 18.8662 18.9078 19.5922 19.5976 k = 0.5353 0.1869 0.2617 ( 1009 PWs) bands (ev): -5.1136 -5.0411 -3.9123 -3.9065 -3.4451 -3.2444 -3.1340 -3.1305 -2.8531 -2.8469 -1.4077 -1.2961 4.0482 4.0620 8.3883 8.4541 8.8563 8.8675 13.6254 13.6734 16.2463 16.2930 18.7965 18.8426 19.6208 19.6263 k = 0.5385 0.1776 0.2669 ( 1013 PWs) bands (ev): -5.1158 -5.0376 -3.9097 -3.9022 -3.4575 -3.2426 -3.1303 -3.1237 -2.8560 -2.8482 -1.3968 -1.2778 4.0715 4.0866 8.2943 8.3634 8.8310 8.8427 13.7154 13.7653 16.2084 16.2583 18.7276 18.7782 19.6527 19.6582 k = 0.5417 0.1684 0.2722 ( 1013 PWs) bands (ev): -5.1178 -5.0342 -3.9069 -3.8974 -3.4697 -3.2410 -3.1265 -3.1166 -2.8591 -2.8494 -1.3846 -1.2587 4.0967 4.1130 8.1969 8.2692 8.8042 8.8164 13.8083 13.8596 16.1684 16.2209 18.6608 18.7157 19.6876 19.6930 k = 0.5449 0.1591 0.2774 ( 1013 PWs) bands (ev): -5.1198 -5.0310 -3.9040 -3.8922 -3.4817 -3.2396 -3.1226 -3.1094 -2.8625 -2.8506 -1.3711 -1.2389 4.1237 4.1412 8.0968 8.1721 8.7759 8.7885 13.9029 13.9553 16.1264 16.1811 18.5971 18.6561 19.7251 19.7303 k = 0.5481 0.1499 0.2826 ( 1013 PWs) bands (ev): -5.1217 -5.0280 -3.9011 -3.8867 -3.4935 -3.2383 -3.1187 -3.1022 -2.8659 -2.8517 -1.3564 -1.2186 4.1525 4.1712 7.9945 8.0726 8.7463 8.7593 13.9985 14.0515 16.0830 16.1394 18.5371 18.6001 19.7647 19.7698 k = 0.5513 0.1406 0.2879 ( 1012 PWs) bands (ev): -5.1235 -5.0252 -3.8981 -3.8807 -3.5049 -3.2371 -3.1149 -3.0949 -2.8695 -2.8527 -1.3408 -1.1979 4.1830 4.2028 7.8907 7.9714 8.7155 8.7289 14.0939 14.1471 16.0389 16.0964 18.4814 18.5481 19.8064 19.8112 k = 0.5545 0.1314 0.2931 ( 1012 PWs) bands (ev): -5.1253 -5.0227 -3.8951 -3.8744 -3.5161 -3.2358 -3.1110 -3.0876 -2.8732 -2.8536 -1.3241 -1.1767 4.2150 4.2360 7.7859 7.8690 8.6835 8.6974 14.1880 14.2410 15.9947 16.0527 18.4305 18.5007 19.8496 19.8542 k = 0.5577 0.1221 0.2983 ( 1014 PWs) bands (ev): -5.1270 -5.0204 -3.8922 -3.8678 -3.5269 -3.2346 -3.1071 -3.0804 -2.8769 -2.8544 -1.3066 -1.1552 4.2486 4.2705 7.6805 7.7659 8.6506 8.6648 14.2797 14.3320 15.9514 16.0092 18.3848 18.4581 19.8943 19.8985 k = 0.5609 0.1129 0.3036 ( 1012 PWs) bands (ev): -5.1287 -5.0184 -3.8891 -3.8608 -3.5374 -3.2332 -3.1033 -3.0732 -2.8807 -2.8550 -1.2882 -1.1336 4.2835 4.3065 7.5752 7.6628 8.6169 8.6314 14.3677 14.4185 15.9103 15.9670 18.3443 18.4205 19.9400 19.9439 k = 0.5641 0.1036 0.3088 ( 1014 PWs) bands (ev): -5.1304 -5.0167 -3.8862 -3.8535 -3.5474 -3.2318 -3.0996 -3.0661 -2.8846 -2.8555 -1.2692 -1.1117 4.3197 4.3435 7.4703 7.5600 8.5825 8.5974 14.4502 14.4989 15.8726 15.9274 18.3093 18.3881 19.9866 19.9900 k = 0.5673 0.0944 0.3140 ( 1014 PWs) bands (ev): -5.1320 -5.0153 -3.8833 -3.8460 -3.5571 -3.2303 -3.0959 -3.0592 -2.8884 -2.8558 -1.2497 -1.0899 4.3569 4.3816 7.3664 7.4582 8.5477 8.5628 14.5256 14.5712 15.8402 15.8920 18.2799 18.3611 20.0339 20.0367 k = 0.5705 0.0851 0.3193 ( 1010 PWs) bands (ev): -5.1337 -5.0142 -3.8804 -3.8383 -3.5662 -3.2287 -3.0923 -3.0523 -2.8921 -2.8559 -1.2297 -1.0681 4.3952 4.4206 7.2639 7.3577 8.5124 8.5277 14.5918 14.6335 15.8148 15.8625 18.2563 18.3396 20.0815 20.0837 k = 0.5737 0.0759 0.3245 ( 1014 PWs) bands (ev): -5.1353 -5.0135 -3.8777 -3.8304 -3.5748 -3.2270 -3.0889 -3.0456 -2.8959 -2.8558 -1.2095 -1.0465 4.4341 4.4601 7.1633 7.2591 8.4768 8.4924 14.6469 14.6835 15.7981 15.8405 18.2384 18.3236 20.1292 20.1307 k = 0.5769 0.0666 0.3297 ( 1014 PWs) bands (ev): -5.1369 -5.0130 -3.8751 -3.8224 -3.5829 -3.2252 -3.0855 -3.0389 -2.8995 -2.8556 -1.1891 -1.0251 4.4735 4.5000 7.0652 7.1631 8.4412 8.4570 14.6889 14.7195 15.7917 15.8279 18.2263 18.3132 20.1769 20.1775 k = 0.5801 0.0574 0.3350 ( 1016 PWs) bands (ev): -5.1384 -5.0129 -3.8726 -3.8144 -3.5905 -3.2234 -3.0824 -3.0325 -2.9031 -2.8551 -1.1686 -1.0042 4.5132 4.5399 6.9701 7.0700 8.4055 8.4215 14.7164 14.7406 15.7964 15.8257 18.2200 18.3083 20.2239 20.2243 k = 0.5833 0.0481 0.3402 ( 1016 PWs) bands (ev): -5.1400 -5.0131 -3.8701 -3.8064 -3.5974 -3.2215 -3.0793 -3.0261 -2.9065 -2.8544 -1.1484 -0.9838 4.5528 4.5796 6.8785 6.9806 8.3701 8.3861 14.7292 14.7469 15.8117 15.8339 18.2194 18.3090 20.2696 20.2711 k = 0.5865 0.0389 0.3454 ( 1016 PWs) bands (ev): -5.1415 -5.0135 -3.8679 -3.7986 -3.6035 -3.2195 -3.0764 -3.0199 -2.9098 -2.8536 -1.1284 -0.9640 4.5919 4.6187 6.7912 6.8954 8.3349 8.3511 14.7279 14.7396 15.8361 15.8518 18.2246 18.3152 20.3145 20.3172 k = 0.5897 0.0296 0.3507 ( 1015 PWs) bands (ev): -5.1430 -5.0142 -3.8657 -3.7910 -3.6089 -3.2176 -3.0736 -3.0138 -2.9130 -2.8525 -1.1089 -0.9450 4.6302 4.6567 6.7088 6.8152 8.3001 8.3163 14.7139 14.7207 15.8673 15.8775 18.2353 18.3268 20.3582 20.3624 k = 0.5929 0.0204 0.3559 ( 1015 PWs) bands (ev): -5.1444 -5.0152 -3.8637 -3.7839 -3.6134 -3.2156 -3.0711 -3.0079 -2.9159 -2.8513 -1.0901 -0.9270 4.6673 4.6932 6.6319 6.7406 8.2659 8.2822 14.6895 14.6925 15.9031 15.9087 18.2514 18.3434 20.4006 20.4065 k = 0.5962 0.0111 0.3611 ( 1015 PWs) bands (ev): -5.1458 -5.0164 -3.8618 -3.7773 -3.6170 -3.2138 -3.0687 -3.0021 -2.9187 -2.8499 -1.0721 -0.9100 4.7025 4.7277 6.5614 6.6724 8.2323 8.2486 14.6566 14.6570 15.9410 15.9433 18.2725 18.3648 20.4415 20.4494 k = 0.5994 0.0019 0.3664 ( 1015 PWs) bands (ev): -5.1472 -5.0178 -3.8601 -3.7714 -3.6195 -3.2119 -3.0664 -2.9966 -2.9213 -2.8484 -1.0551 -0.8943 4.7354 4.7597 6.4979 6.6113 8.1995 8.2158 14.6163 14.6174 15.9791 15.9793 18.2982 18.3906 20.4808 20.4908 k = 0.6026-0.0074 0.3716 ( 1007 PWs) bands (ev): -5.1484 -5.0193 -3.8585 -3.7663 -3.6208 -3.2101 -3.0643 -2.9911 -2.9236 -2.8467 -1.0394 -0.8800 4.7655 4.7886 6.4424 6.5583 8.1677 8.1839 14.5717 14.5734 16.0146 16.0164 18.3280 18.4201 20.5181 20.5307 k = 0.6058-0.0167 0.3768 ( 1009 PWs) bands (ev): -5.1496 -5.0211 -3.8571 -3.7621 -3.6209 -3.2085 -3.0624 -2.9859 -2.9258 -2.8449 -1.0251 -0.8673 4.7921 4.8139 6.3955 6.5138 8.1368 8.1529 14.5245 14.5261 16.0483 16.0512 18.3612 18.4527 20.5534 20.5689 k = 0.6090-0.0259 0.3821 ( 1013 PWs) bands (ev): -5.1507 -5.0230 -3.8559 -3.7590 -3.6198 -3.2070 -3.0607 -2.9810 -2.9278 -2.8432 -1.0124 -0.8564 4.8149 4.8352 6.3580 6.4785 8.1070 8.1230 14.4755 14.4764 16.0796 16.0831 18.3971 18.4876 20.5865 20.6052 k = 0.6122-0.0352 0.3873 ( 1013 PWs) bands (ev): -5.1517 -5.0249 -3.8548 -3.7568 -3.6175 -3.2057 -3.0590 -2.9763 -2.9295 -2.8413 -1.0016 -0.8474 4.8335 4.8524 6.3303 6.4530 8.0784 8.0944 14.4253 14.4255 16.1078 16.1116 18.4346 18.5238 20.6172 20.6397 k = 0.6154-0.0444 0.3925 ( 1013 PWs) bands (ev): -5.1525 -5.0270 -3.8538 -3.7557 -3.6141 -3.2045 -3.0575 -2.9719 -2.9310 -2.8394 -0.9928 -0.8406 4.8477 4.8652 6.3129 6.4375 8.0512 8.0670 14.3733 14.3750 16.1326 16.1365 18.4729 18.5605 20.6455 20.6722 k = 0.6186-0.0537 0.3978 ( 1013 PWs) bands (ev): -5.1533 -5.0290 -3.8530 -3.7554 -3.6097 -3.2036 -3.0562 -2.9679 -2.9321 -2.8376 -0.9862 -0.8360 4.8578 4.8740 6.3057 6.4320 8.0255 8.0411 14.3209 14.3245 16.1539 16.1577 18.5110 18.5968 20.6712 20.7026 k = 0.6218-0.0629 0.4030 ( 1013 PWs) bands (ev): -5.1538 -5.0311 -3.8523 -3.7558 -3.6044 -3.2029 -3.0550 -2.9643 -2.9329 -2.8358 -0.9821 -0.8339 4.8641 4.8791 6.3086 6.4362 8.0012 8.0166 14.2686 14.2742 16.1718 16.1754 18.5479 18.6315 20.6944 20.7309 k = 0.6250-0.0722 0.4082 ( 1011 PWs) bands (ev): -5.1543 -5.0332 -3.8516 -3.7569 -3.5986 -3.2023 -3.0538 -2.9612 -2.9333 -2.8341 -0.9805 -0.8345 4.8673 4.8812 6.3210 6.4496 7.9785 7.9938 14.2167 14.2243 16.1864 16.1897 18.5826 18.6639 20.7150 20.7569 k = 0.6250-0.0722 0.4082 ( 1011 PWs) bands (ev): -5.1543 -5.0332 -3.8516 -3.7569 -3.5986 -3.2023 -3.0538 -2.9612 -2.9333 -2.8341 -0.9805 -0.8345 4.8673 4.8812 6.3210 6.4496 7.9785 7.9938 14.2167 14.2243 16.1864 16.1897 18.5826 18.6639 20.7150 20.7569 k = 0.6196-0.0690 0.4171 ( 1012 PWs) bands (ev): -5.1543 -5.0331 -3.8515 -3.7569 -3.5989 -3.2022 -3.0539 -2.9612 -2.9332 -2.8342 -0.9801 -0.8341 4.8678 4.8816 6.3219 6.4505 7.9731 7.9911 14.2207 14.2293 16.1874 16.1906 18.5814 18.6630 20.6734 20.7513 k = 0.6141-0.0659 0.4260 ( 1014 PWs) bands (ev): -5.1544 -5.0328 -3.8512 -3.7571 -3.6000 -3.2017 -3.0541 -2.9611 -2.9330 -2.8345 -0.9788 -0.8328 4.8691 4.8829 6.3245 6.4533 7.9578 7.9823 14.2329 14.2440 16.1901 16.1934 18.5775 18.6602 20.5867 20.7087 k = 0.6087-0.0628 0.4349 ( 1014 PWs) bands (ev): -5.1545 -5.0323 -3.8506 -3.7574 -3.6016 -3.2009 -3.0544 -2.9610 -2.9327 -2.8350 -0.9767 -0.8307 4.8714 4.8850 6.3288 6.4579 7.9341 7.9665 14.2537 14.2676 16.1948 16.1982 18.5712 18.6556 20.4800 20.6313 k = 0.6033-0.0596 0.4437 ( 1010 PWs) bands (ev): -5.1547 -5.0315 -3.8497 -3.7577 -3.6039 -3.1997 -3.0547 -2.9609 -2.9322 -2.8357 -0.9737 -0.8278 4.8745 4.8880 6.3349 6.4644 7.9028 7.9434 14.2827 14.2994 16.2015 16.2049 18.5622 18.6492 20.3634 20.5327 k = 0.5978-0.0565 0.4526 ( 1010 PWs) bands (ev): -5.1550 -5.0306 -3.8486 -3.7582 -3.6067 -3.1983 -3.0552 -2.9607 -2.9316 -2.8366 -0.9699 -0.8241 4.8785 4.8917 6.3427 6.4727 7.8645 7.9133 14.3195 14.3386 16.2101 16.2135 18.5504 18.6409 20.2426 20.4226 k = 0.5924-0.0533 0.4615 ( 1010 PWs) bands (ev): -5.1553 -5.0295 -3.8473 -3.7587 -3.6101 -3.1967 -3.0558 -2.9605 -2.9309 -2.8377 -0.9654 -0.8197 4.8833 4.8962 6.3521 6.4828 7.8199 7.8766 14.3635 14.3844 16.2207 16.2242 18.5358 18.6308 20.1206 20.3070 k = 0.5870-0.0502 0.4704 ( 1010 PWs) bands (ev): -5.1556 -5.0283 -3.8458 -3.7593 -3.6139 -3.1949 -3.0564 -2.9604 -2.9301 -2.8390 -0.9602 -0.8146 4.8888 4.9014 6.3632 6.4947 7.7697 7.8338 14.4138 14.4359 16.2334 16.2370 18.5182 18.6189 19.9997 20.1892 k = 0.5815-0.0471 0.4792 ( 1016 PWs) bands (ev): -5.1560 -5.0270 -3.8440 -3.7600 -3.6182 -3.1931 -3.0571 -2.9603 -2.9291 -2.8404 -0.9544 -0.8090 4.8950 4.9072 6.3760 6.5084 7.7146 7.7856 14.4694 14.4921 16.2481 16.2518 18.4974 18.6052 19.8815 20.0715 k = 0.5761-0.0439 0.4881 ( 1010 PWs) bands (ev): -5.1564 -5.0256 -3.8421 -3.7607 -3.6226 -3.1911 -3.0578 -2.9601 -2.9280 -2.8419 -0.9481 -0.8028 4.9018 4.9136 6.3903 6.5239 7.6556 7.7329 14.5295 14.5518 16.2651 16.2688 18.4734 18.5898 19.7673 19.9557 k = 0.5707-0.0408 0.4970 ( 1010 PWs) bands (ev): -5.1568 -5.0242 -3.8399 -3.7616 -3.6274 -3.1891 -3.0584 -2.9600 -2.9267 -2.8436 -0.9413 -0.7961 4.9091 4.9204 6.4062 6.5410 7.5932 7.6763 14.5926 14.6140 16.2843 16.2880 18.4458 18.5728 19.6581 19.8427 k = 0.5652-0.0377 0.5059 ( 1012 PWs) bands (ev): -5.1572 -5.0227 -3.8376 -3.7624 -3.6323 -3.1871 -3.0591 -2.9599 -2.9254 -2.8453 -0.9342 -0.7892 4.9168 4.9276 6.4235 6.5598 7.5284 7.6166 14.6575 14.6774 16.3056 16.3093 18.4147 18.5544 19.5549 19.7337 k = 0.5598-0.0345 0.5147 ( 1012 PWs) bands (ev): -5.1576 -5.0212 -3.8352 -3.7633 -3.6374 -3.1851 -3.0598 -2.9598 -2.9240 -2.8472 -0.9269 -0.7820 4.9248 4.9350 6.4423 6.5802 7.4620 7.5547 14.7230 14.7409 16.3290 16.3326 18.3802 18.5347 19.4588 19.6295 k = 0.5543-0.0314 0.5236 ( 1014 PWs) bands (ev): -5.1580 -5.0198 -3.8327 -3.7641 -3.6424 -3.1833 -3.0604 -2.9598 -2.9225 -2.8491 -0.9194 -0.7747 4.9329 4.9426 6.4623 6.6022 7.3949 7.4912 14.7876 14.8035 16.3543 16.3577 18.3425 18.5142 19.3703 19.5310 k = 0.5489-0.0282 0.5325 ( 1017 PWs) bands (ev): -5.1584 -5.0185 -3.8301 -3.7650 -3.6473 -3.1815 -3.0610 -2.9598 -2.9210 -2.8510 -0.9120 -0.7674 4.9410 4.9502 6.4835 6.6256 7.3279 7.4272 14.8496 14.8641 16.3813 16.3842 18.3022 18.4932 19.2901 19.4389 k = 0.5435-0.0251 0.5414 ( 1024 PWs) bands (ev): -5.1587 -5.0172 -3.8276 -3.7658 -3.6522 -3.1799 -3.0616 -2.9598 -2.9195 -2.8529 -0.9047 -0.7602 4.9490 4.9575 6.5057 6.6504 7.2621 7.3633 14.9077 14.9222 16.4093 16.4114 18.2602 18.4723 19.2185 19.3538 k = 0.5380-0.0220 0.5502 ( 1024 PWs) bands (ev): -5.1591 -5.0160 -3.8250 -3.7665 -3.6567 -3.1784 -3.0621 -2.9598 -2.9179 -2.8547 -0.8977 -0.7533 4.9567 4.9646 6.5286 6.6764 7.1984 7.3006 14.9606 14.9767 16.4379 16.4388 18.2179 18.4522 19.1556 19.2763 k = 0.5326-0.0188 0.5591 ( 1024 PWs) bands (ev): -5.1594 -5.0149 -3.8226 -3.7671 -3.6610 -3.1771 -3.0625 -2.9598 -2.9165 -2.8565 -0.8911 -0.7468 4.9639 4.9711 6.5518 6.7035 7.1379 7.2398 15.0074 15.0265 16.4655 16.4662 18.1768 18.4339 19.1013 19.2070 k = 0.5272-0.0157 0.5680 ( 1028 PWs) bands (ev): -5.1597 -5.0140 -3.8204 -3.7675 -3.6648 -3.1761 -3.0628 -2.9598 -2.9151 -2.8581 -0.8851 -0.7409 4.9703 4.9770 6.5749 6.7311 7.0818 7.1819 15.0478 15.0703 16.4903 16.4929 18.1387 18.4181 19.0553 19.1462 k = 0.5217-0.0126 0.5769 ( 1027 PWs) bands (ev): -5.1599 -5.0133 -3.8185 -3.7678 -3.6682 -3.1751 -3.0631 -2.9598 -2.9138 -2.8595 -0.8798 -0.7356 4.9760 4.9821 6.5970 6.7589 7.0318 7.1280 15.0813 15.1073 16.5122 16.5169 18.1056 18.4056 19.0177 19.0947 k = 0.5163-0.0094 0.5857 ( 1031 PWs) bands (ev): -5.1601 -5.0127 -3.8170 -3.7680 -3.6710 -3.1744 -3.0634 -2.9599 -2.9128 -2.8607 -0.8754 -0.7313 4.9806 4.9862 6.6170 6.7857 6.9898 7.0794 15.1077 15.1368 16.5301 16.5368 18.0788 18.3969 18.9880 19.0529 k = 0.5109-0.0063 0.5946 ( 1036 PWs) bands (ev): -5.1603 -5.0123 -3.8160 -3.7680 -3.6730 -3.1739 -3.0635 -2.9599 -2.9120 -2.8616 -0.8721 -0.7280 4.9840 4.9892 6.6330 6.8093 6.9586 7.0385 15.1266 15.1582 16.5433 16.5516 18.0596 18.3918 18.9665 19.0216 k = 0.5054-0.0031 0.6035 ( 1036 PWs) bands (ev): -5.1604 -5.0120 -3.8153 -3.7680 -3.6743 -3.1736 -3.0636 -2.9599 -2.9115 -2.8621 -0.8699 -0.7259 4.9861 4.9910 6.6434 6.8260 6.9409 7.0093 15.1380 15.1712 16.5512 16.5606 18.0485 18.3897 18.9534 19.0020 k = 0.5000-0.0000 0.6124 ( 1036 PWs) bands (ev): -5.1604 -5.0119 -3.8151 -3.7679 -3.6748 -3.1735 -3.0636 -2.9599 -2.9114 -2.8623 -0.8692 -0.7252 4.9868 4.9917 6.6467 6.8318 6.9359 6.9983 15.1418 15.1756 16.5538 16.5635 18.0450 18.3893 18.9489 18.9953 k = 0.5000-0.0000 0.6124 ( 1036 PWs) bands (ev): -5.1604 -5.0119 -3.8151 -3.7679 -3.6748 -3.1735 -3.0636 -2.9599 -2.9114 -2.8623 -0.8692 -0.7252 4.9868 4.9917 6.6467 6.8318 6.9359 6.9983 15.1418 15.1756 16.5538 16.5635 18.0450 18.3893 18.9489 18.9953 k = 0.5000 0.0064 0.6033 ( 1036 PWs) bands (ev): -5.1603 -5.0119 -3.8153 -3.7679 -3.6746 -3.1737 -3.0637 -2.9602 -2.9113 -2.8623 -0.8702 -0.7260 4.9860 4.9910 6.6389 6.8195 6.9447 7.0179 15.1428 15.1767 16.5498 16.5589 18.0401 18.3794 18.9581 19.0092 k = 0.5000 0.0128 0.5942 ( 1036 PWs) bands (ev): -5.1601 -5.0118 -3.8160 -3.7680 -3.6742 -3.1741 -3.0638 -2.9611 -2.9110 -2.8625 -0.8730 -0.7286 4.9834 4.9890 6.6191 6.7908 6.9738 7.0625 15.1459 15.1801 16.5378 16.5451 18.0264 18.3523 18.9850 19.0481 k = 0.5000 0.0192 0.5852 ( 1030 PWs) bands (ev): -5.1598 -5.0115 -3.8170 -3.7681 -3.6735 -3.1747 -3.0640 -2.9625 -2.9105 -2.8627 -0.8778 -0.7327 4.9789 4.9856 6.5943 6.7577 7.0184 7.1179 15.1512 15.1858 16.5177 16.5222 18.0063 18.3143 19.0272 19.1056 k = 0.5000 0.0257 0.5761 ( 1028 PWs) bands (ev): -5.1593 -5.0113 -3.8184 -3.7684 -3.6725 -3.1756 -3.0643 -2.9644 -2.9098 -2.8631 -0.8844 -0.7386 4.9724 4.9802 6.5697 6.7264 7.0725 7.1789 15.1585 15.1938 16.4895 16.4902 17.9825 18.2713 19.0814 19.1754 k = 0.5000 0.0321 0.5670 ( 1026 PWs) bands (ev): -5.1587 -5.0109 -3.8202 -3.7689 -3.6711 -3.1768 -3.0648 -2.9668 -2.9090 -2.8636 -0.8928 -0.7460 4.9637 4.9728 6.5484 6.6998 7.1326 7.2435 15.1680 15.2040 16.4493 16.4533 17.9580 18.2278 19.1446 19.2527 k = 0.5000 0.0385 0.5579 ( 1022 PWs) bands (ev): -5.1580 -5.0105 -3.8223 -3.7696 -3.6694 -3.1782 -3.0653 -2.9696 -2.9080 -2.8642 -0.9029 -0.7549 4.9523 4.9629 6.5325 6.6794 7.1968 7.3107 15.1795 15.2164 16.3999 16.4091 17.9348 18.1867 19.2139 19.3345 k = 0.5000 0.0449 0.5489 ( 1022 PWs) bands (ev): -5.1572 -5.0101 -3.8246 -3.7707 -3.6673 -3.1798 -3.0659 -2.9728 -2.9070 -2.8649 -0.9147 -0.7654 4.9380 4.9503 6.5231 6.6660 7.2637 7.3795 15.1930 15.2311 16.3424 16.3572 17.9145 18.1497 19.2868 19.4181 k = 0.5000 0.0513 0.5398 ( 1022 PWs) bands (ev): -5.1562 -5.0096 -3.8272 -3.7723 -3.6647 -3.1818 -3.0666 -2.9764 -2.9059 -2.8657 -0.9280 -0.7773 4.9207 4.9347 6.5210 6.6602 7.3327 7.4495 15.2087 15.2478 16.2776 16.2981 17.8981 18.1178 19.3614 19.5018 k = 0.5000 0.0577 0.5307 ( 1022 PWs) bands (ev): -5.1552 -5.0092 -3.8299 -3.7742 -3.6616 -3.1839 -3.0674 -2.9802 -2.9047 -2.8665 -0.9427 -0.7905 4.9001 4.9159 6.5268 6.6625 7.4030 7.5203 15.2264 15.2666 16.2061 16.2321 17.8862 18.0917 19.4358 19.5840 k = 0.5000 0.0642 0.5217 ( 1020 PWs) bands (ev): -5.1541 -5.0087 -3.8328 -3.7767 -3.6580 -3.1863 -3.0684 -2.9842 -2.9034 -2.8673 -0.9587 -0.8049 4.8763 4.8938 6.5407 6.6732 7.4742 7.5916 15.2460 15.2873 16.1290 16.1600 17.8789 18.0713 19.5087 19.6633 k = 0.5000 0.0706 0.5126 ( 1018 PWs) bands (ev): -5.1528 -5.0082 -3.8358 -3.7796 -3.6540 -3.1888 -3.0695 -2.9885 -2.9020 -2.8681 -0.9759 -0.8206 4.8494 4.8686 6.5628 6.6921 7.5459 7.6630 15.2674 15.3095 16.0471 16.0825 17.8763 18.0568 19.5786 19.7386 k = 0.5000 0.0770 0.5035 ( 1020 PWs) bands (ev): -5.1515 -5.0078 -3.8390 -3.7830 -3.6495 -3.1916 -3.0707 -2.9930 -2.9006 -2.8689 -0.9942 -0.8373 4.8195 4.8404 6.5928 6.7192 7.6177 7.7341 15.2902 15.3329 15.9616 16.0004 17.8782 18.0478 19.6444 19.8086 k = 0.5000 0.0834 0.4944 ( 1022 PWs) bands (ev): -5.1502 -5.0075 -3.8422 -3.7870 -3.6445 -3.1944 -3.0721 -2.9976 -2.8992 -2.8696 -1.0133 -0.8550 4.7870 4.8093 6.6306 6.7543 7.6893 7.8047 15.3139 15.3564 15.8744 15.9151 17.8843 18.0441 19.7050 19.8722 k = 0.5000 0.0898 0.4854 ( 1020 PWs) bands (ev): -5.1487 -5.0072 -3.8455 -3.7913 -3.6390 -3.1974 -3.0737 -3.0024 -2.8977 -2.8702 -1.0333 -0.8735 4.7522 4.7758 6.6757 6.7969 7.7606 7.8747 15.3375 15.3780 15.7880 15.8282 17.8944 18.0454 19.7595 19.9286 k = 0.5000 0.0962 0.4763 ( 1020 PWs) bands (ev): -5.1472 -5.0071 -3.8489 -3.7961 -3.6330 -3.2005 -3.0754 -3.0073 -2.8962 -2.8706 -1.0539 -0.8929 4.7155 4.7402 6.7278 6.8465 7.8311 7.9437 15.3581 15.3926 15.7081 15.7428 17.9084 18.0513 19.8071 19.9769 k = 0.5000 0.1026 0.4672 ( 1020 PWs) bands (ev): -5.1457 -5.0070 -3.8523 -3.8012 -3.6265 -3.2036 -3.0773 -3.0124 -2.8946 -2.8708 -1.0750 -0.9129 4.6773 4.7028 6.7863 6.9028 7.9007 8.0115 15.3686 15.3895 15.6467 15.6656 17.9260 18.0616 19.8473 20.0164 k = 0.5000 0.1091 0.4581 ( 1018 PWs) bands (ev): -5.1441 -5.0071 -3.8558 -3.8067 -3.6196 -3.2067 -3.0794 -3.0177 -2.8929 -2.8708 -1.0965 -0.9336 4.6380 4.6641 6.8508 6.9652 7.9692 8.0779 15.3432 15.3647 15.6089 15.6222 17.9471 18.0759 19.8796 20.0466 k = 0.5000 0.1155 0.4491 ( 1024 PWs) bands (ev): -5.1426 -5.0074 -3.8594 -3.8125 -3.6123 -3.2098 -3.0817 -3.0231 -2.8912 -2.8707 -1.1183 -0.9548 4.5979 4.6243 6.9206 7.0331 8.0363 8.1428 15.2724 15.3145 15.5920 15.6287 17.9715 18.0941 19.9038 20.0674 k = 0.5000 0.1219 0.4400 ( 1024 PWs) bands (ev): -5.1409 -5.0079 -3.8629 -3.8186 -3.6046 -3.2128 -3.0842 -3.0287 -2.8894 -2.8702 -1.1401 -0.9764 4.5574 4.5839 6.9955 7.1062 8.1020 8.2059 15.1821 15.2353 15.6054 15.6544 17.9991 18.1160 19.9199 20.0789 k = 0.5000 0.1283 0.4309 ( 1024 PWs) bands (ev): -5.1393 -5.0085 -3.8665 -3.8248 -3.5964 -3.2157 -3.0869 -3.0344 -2.8876 -2.8696 -1.1620 -0.9983 4.5168 4.5432 7.0748 7.1837 8.1659 8.2672 15.0829 15.1412 15.6343 15.6893 18.0300 18.1414 19.9281 20.0814 k = 0.5000 0.1347 0.4219 ( 1024 PWs) bands (ev): -5.1376 -5.0094 -3.8700 -3.8313 -3.5878 -3.2185 -3.0897 -3.0404 -2.8856 -2.8687 -1.1838 -1.0205 4.4763 4.5025 7.1581 7.2653 8.2280 8.3264 14.9794 15.0401 15.6709 15.7292 18.0640 18.1703 19.9290 20.0755 k = 0.5000 0.1411 0.4128 ( 1026 PWs) bands (ev): -5.1360 -5.0105 -3.8736 -3.8378 -3.5788 -3.2212 -3.0927 -3.0465 -2.8834 -2.8676 -1.2053 -1.0428 4.4363 4.4621 7.2449 7.3505 8.2882 8.3835 14.8734 14.9352 15.7119 15.7722 18.1012 18.2025 19.9229 20.0619 k = 0.5000 0.1475 0.4037 ( 1026 PWs) bands (ev): -5.1343 -5.0118 -3.8772 -3.8443 -3.5694 -3.2238 -3.0959 -3.0528 -2.8812 -2.8664 -1.2264 -1.0653 4.3969 4.4221 7.3348 7.4387 8.3463 8.4383 14.7660 14.8283 15.7555 15.8172 18.1416 18.2381 19.9108 20.0416 k = 0.5000 0.1540 0.3946 ( 1020 PWs) bands (ev): -5.1325 -5.0133 -3.8807 -3.8508 -3.5597 -3.2261 -3.0991 -3.0593 -2.8788 -2.8650 -1.2471 -1.0876 4.3584 4.3829 7.4273 7.5294 8.4022 8.4908 14.6579 14.7202 15.8011 15.8635 18.1853 18.2770 19.8932 20.0155 k = 0.5000 0.1604 0.3856 ( 1020 PWs) bands (ev): -5.1308 -5.0151 -3.8842 -3.8573 -3.5496 -3.2283 -3.1025 -3.0659 -2.8763 -2.8635 -1.2672 -1.1100 4.3208 4.3446 7.5220 7.6223 8.4557 8.5409 14.5495 14.6115 15.8478 15.9105 18.2322 18.3193 19.8711 19.9847 k = 0.5000 0.1668 0.3765 ( 1022 PWs) bands (ev): -5.1291 -5.0171 -3.8876 -3.8637 -3.5391 -3.2303 -3.1060 -3.0728 -2.8736 -2.8619 -1.2867 -1.1322 4.2844 4.3073 7.6184 7.7167 8.5070 8.5885 14.4413 14.5027 15.8952 15.9578 18.2824 18.3648 19.8452 19.9501 k = 0.5000 0.1732 0.3674 ( 1018 PWs) bands (ev): -5.1273 -5.0194 -3.8910 -3.8699 -3.5283 -3.2322 -3.1096 -3.0797 -2.8709 -2.8603 -1.3054 -1.1542 4.2493 4.2713 7.7161 7.8124 8.5558 8.6335 14.3337 14.3943 15.9427 16.0048 18.3359 18.4137 19.8165 19.9129 k = 0.5000 0.1796 0.3584 ( 1020 PWs) bands (ev): -5.1255 -5.0219 -3.8944 -3.8760 -3.5172 -3.2340 -3.1132 -3.0868 -2.8682 -2.8586 -1.3232 -1.1759 4.2156 4.2365 7.8145 7.9086 8.6021 8.6760 14.2269 14.2866 15.9900 16.0511 18.3927 18.4659 19.7858 19.8738 k = 0.5000 0.1860 0.3493 ( 1018 PWs) bands (ev): -5.1237 -5.0246 -3.8976 -3.8818 -3.5058 -3.2356 -3.1169 -3.0940 -2.8653 -2.8569 -1.3401 -1.1972 4.1835 4.2033 7.9133 8.0049 8.6459 8.7158 14.1215 14.1799 16.0365 16.0963 18.4527 18.5213 19.7538 19.8338 k = 0.5000 0.1925 0.3402 ( 1016 PWs) bands (ev): -5.1218 -5.0276 -3.9008 -3.8874 -3.4941 -3.2372 -3.1206 -3.1011 -2.8625 -2.8551 -1.3559 -1.2181 4.1529 4.1716 8.0118 8.1008 8.6872 8.7530 14.0178 14.0747 16.0820 16.1400 18.5158 18.5798 19.7213 19.7936 k = 0.5000 0.1989 0.3311 ( 1018 PWs) bands (ev): -5.1199 -5.0307 -3.9039 -3.8927 -3.4822 -3.2388 -3.1244 -3.1083 -2.8597 -2.8534 -1.3707 -1.2385 4.1241 4.1416 8.1094 8.1955 8.7259 8.7875 13.9161 13.9715 16.1261 16.1819 18.5817 18.6411 19.6890 19.7540 k = 0.5000 0.2053 0.3221 ( 1018 PWs) bands (ev): -5.1179 -5.0340 -3.9068 -3.8977 -3.4701 -3.2404 -3.1281 -3.1155 -2.8570 -2.8516 -1.3843 -1.2584 4.0970 4.1133 8.2057 8.2886 8.7620 8.8195 13.8171 13.8706 16.1683 16.2215 18.6500 18.7049 19.6576 19.7156 k = 0.5000 0.2117 0.3130 ( 1018 PWs) bands (ev): -5.1158 -5.0375 -3.9097 -3.9023 -3.4578 -3.2421 -3.1319 -3.1224 -2.8544 -2.8499 -1.3966 -1.2775 4.0717 4.0868 8.2999 8.3793 8.7955 8.8488 13.7212 13.7727 16.2085 16.2588 18.7201 18.7707 19.6276 19.6791 k = 0.5000 0.2181 0.3039 ( 1018 PWs) bands (ev): -5.1137 -5.0411 -3.9124 -3.9066 -3.4454 -3.2441 -3.1358 -3.1291 -2.8518 -2.8482 -1.4077 -1.2960 4.0483 4.0622 8.3915 8.4670 8.8265 8.8755 13.6291 13.6782 16.2462 16.2933 18.7914 18.8376 19.5998 19.6451 k = 0.5000 0.2245 0.2948 ( 1018 PWs) bands (ev): -5.1115 -5.0448 -3.9149 -3.9105 -3.4328 -3.2465 -3.1398 -3.1351 -2.8495 -2.8466 -1.4173 -1.3137 4.0269 4.0395 8.4796 8.5509 8.8549 8.8996 13.5413 13.5878 16.2814 16.3249 18.8627 18.9047 19.5747 19.6141 k = 0.5000 0.2309 0.2858 ( 1010 PWs) bands (ev): -5.1091 -5.0485 -3.9173 -3.9140 -3.4201 -3.2493 -3.1442 -3.1402 -2.8472 -2.8451 -1.4256 -1.3305 4.0075 4.0189 8.5635 8.6301 8.8810 8.9213 13.4587 13.5021 16.3138 16.3536 18.9330 18.9708 19.5531 19.5868 k = 0.5000 0.2374 0.2767 ( 1010 PWs) bands (ev): -5.1067 -5.0524 -3.9195 -3.9171 -3.4075 -3.2527 -3.1490 -3.1443 -2.8452 -2.8436 -1.4324 -1.3464 3.9901 4.0002 8.6423 8.7038 8.9045 8.9404 13.3819 13.4220 16.3432 16.3790 19.0006 19.0341 19.5358 19.5640 k = 0.5000 0.2438 0.2676 ( 1010 PWs) bands (ev): -5.1041 -5.0563 -3.9215 -3.9199 -3.3948 -3.2570 -3.1535 -3.1478 -2.8434 -2.8423 -1.4378 -1.3614 3.9747 3.9835 8.7150 8.7710 8.9257 8.9572 13.3118 13.3481 16.3696 16.4012 19.0635 19.0925 19.5237 19.5464 k = 0.5000 0.2502 0.2586 ( 1006 PWs) bands (ev): -5.1014 -5.0601 -3.9232 -3.9222 -3.3823 -3.2621 -3.1574 -3.1510 -2.8418 -2.8411 -1.4416 -1.3752 3.9614 3.9690 8.7809 8.8307 8.9448 8.9717 13.2491 13.2814 16.3929 16.4202 19.1195 19.1438 19.5177 19.5349 k = 0.5000 0.2566 0.2495 ( 1010 PWs) bands (ev): -5.0986 -5.0640 -3.9248 -3.9242 -3.3699 -3.2682 -3.1604 -3.1539 -2.8405 -2.8401 -1.4440 -1.3881 3.9502 3.9565 8.8386 8.8815 8.9620 8.9840 13.1948 13.2225 16.4129 16.4358 19.1665 19.1857 19.5185 19.5302 k = 0.5000 0.2630 0.2404 ( 1012 PWs) bands (ev): -5.0957 -5.0679 -3.9261 -3.9259 -3.3576 -3.2752 -3.1627 -3.1566 -2.8394 -2.8392 -1.4449 -1.3997 3.9411 3.9462 8.8873 8.9222 8.9780 8.9945 13.1497 13.1724 16.4297 16.4481 19.2028 19.2169 19.5254 19.5322 k = 0.5000 0.2694 0.2313 ( 1010 PWs) bands (ev): -5.0926 -5.0717 -3.9272 -3.9271 -3.3456 -3.2831 -3.1641 -3.1590 -2.8385 -2.8385 -1.4443 -1.4101 3.9342 3.9380 8.9257 8.9510 8.9936 9.0037 13.1144 13.1318 16.4433 16.4572 19.2283 19.2379 19.5361 19.5393 k = 0.5000 0.2758 0.2223 ( 1008 PWs) bands (ev): -5.0894 -5.0755 -3.9279 -3.9279 -3.3339 -3.2919 -3.1646 -3.1610 -2.8379 -2.8379 -1.4421 -1.4192 3.9294 3.9319 8.9527 8.9679 9.0081 9.0120 13.0896 13.1014 16.4537 16.4629 19.2445 19.2504 19.5474 19.5484 k = 0.5000 0.2823 0.2132 ( 1008 PWs) bands (ev): -5.0861 -5.0791 -3.9284 -3.9284 -3.3226 -3.3015 -3.1646 -3.1627 -2.8376 -2.8376 -1.4385 -1.4271 3.9268 3.9280 8.9688 8.9755 9.0182 9.0188 13.0758 13.0817 16.4608 16.4655 19.2535 19.2563 19.5556 19.5557 k = 0.5000 0.2887 0.2041 ( 1008 PWs) bands (ev): -5.0827 -5.0827 -3.9286 -3.9286 -3.3117 -3.3117 -3.1639 -3.1639 -2.8375 -2.8375 -1.4335 -1.4335 3.9263 3.9263 8.9757 8.9757 9.0216 9.0216 13.0731 13.0731 16.4648 16.4648 19.2572 19.2572 19.5585 19.5585 k = 0.5000 0.2887 0.2041 ( 1008 PWs) bands (ev): -5.0827 -5.0827 -3.9286 -3.9286 -3.3117 -3.3117 -3.1639 -3.1639 -2.8375 -2.8375 -1.4335 -1.4335 3.9263 3.9263 8.9757 8.9757 9.0216 9.0216 13.0731 13.0731 16.4648 16.4648 19.2572 19.2572 19.5585 19.5585 k = 0.4968 0.2868 0.2146 ( 1008 PWs) bands (ev): -5.0861 -5.0791 -3.9284 -3.9284 -3.3226 -3.3015 -3.1646 -3.1627 -2.8376 -2.8376 -1.4385 -1.4271 3.9268 3.9280 8.9688 8.9755 9.0183 9.0187 13.0758 13.0817 16.4608 16.4655 19.2535 19.2563 19.5556 19.5557 k = 0.4936 0.2850 0.2251 ( 1008 PWs) bands (ev): -5.0894 -5.0755 -3.9279 -3.9279 -3.3338 -3.2919 -3.1646 -3.1610 -2.8380 -2.8379 -1.4421 -1.4193 3.9294 3.9319 8.9529 8.9677 9.0090 9.0113 13.0896 13.1014 16.4537 16.4630 19.2445 19.2504 19.5477 19.5480 k = 0.4904 0.2831 0.2355 ( 1010 PWs) bands (ev): -5.0926 -5.0717 -3.9272 -3.9271 -3.3455 -3.2831 -3.1641 -3.1590 -2.8386 -2.8384 -1.4443 -1.4101 3.9342 3.9379 8.9261 8.9500 8.9964 9.0016 13.1143 13.1317 16.4433 16.4572 19.2284 19.2379 19.5373 19.5382 k = 0.4872 0.2813 0.2460 ( 1012 PWs) bands (ev): -5.0957 -5.0679 -3.9261 -3.9259 -3.3576 -3.2752 -3.1627 -3.1566 -2.8395 -2.8391 -1.4449 -1.3997 3.9411 3.9461 8.8882 8.9199 8.9834 8.9907 13.1496 13.1722 16.4297 16.4481 19.2031 19.2167 19.5279 19.5297 k = 0.4840 0.2794 0.2565 ( 1011 PWs) bands (ev): -5.0986 -5.0641 -3.9248 -3.9243 -3.3698 -3.2682 -3.1604 -3.1540 -2.8406 -2.8400 -1.4440 -1.3881 3.9501 3.9565 8.8399 8.8781 8.9701 8.9784 13.1946 13.2223 16.4129 16.4358 19.1671 19.1853 19.5229 19.5259 k = 0.4808 0.2776 0.2669 ( 1011 PWs) bands (ev): -5.1014 -5.0602 -3.9233 -3.9223 -3.3822 -3.2621 -3.1573 -3.1511 -2.8420 -2.8409 -1.4416 -1.3753 3.9613 3.9689 8.7823 8.8261 8.9556 8.9645 13.2488 13.2809 16.3929 16.4202 19.1205 19.1435 19.5244 19.5283 k = 0.4776 0.2757 0.2774 ( 1011 PWs) bands (ev): -5.1041 -5.0563 -3.9214 -3.9199 -3.3948 -3.2570 -3.1534 -3.1480 -2.8437 -2.8420 -1.4378 -1.3614 3.9746 3.9834 8.7164 8.7654 8.9395 8.9489 13.3112 13.3474 16.3697 16.4013 19.0648 19.0925 19.5328 19.5374 k = 0.4744 0.2739 0.2879 ( 1007 PWs) bands (ev): -5.1066 -5.0524 -3.9194 -3.9172 -3.4074 -3.2528 -3.1486 -3.1447 -2.8457 -2.8432 -1.4324 -1.3465 3.9900 4.0001 8.6432 8.6969 8.9215 8.9314 13.3810 13.4208 16.3433 16.3791 19.0023 19.0347 19.5475 19.5525 k = 0.4712 0.2720 0.2983 ( 1007 PWs) bands (ev): -5.1091 -5.0486 -3.9172 -3.9140 -3.4200 -3.2494 -3.1431 -3.1412 -2.8479 -2.8444 -1.4256 -1.3306 4.0074 4.0187 8.5636 8.6216 8.9016 8.9119 13.4573 13.5003 16.3139 16.3535 18.9354 18.9724 19.5676 19.5729 k = 0.4679 0.2702 0.3088 ( 1007 PWs) bands (ev): -5.1114 -5.0448 -3.9148 -3.9105 -3.4326 -3.2467 -3.1377 -3.1370 -2.8504 -2.8456 -1.4174 -1.3138 4.0268 4.0394 8.4784 8.5404 8.8798 8.8906 13.5390 13.5847 16.2815 16.3248 18.8662 18.9078 19.5922 19.5976 k = 0.4647 0.2683 0.3193 ( 1009 PWs) bands (ev): -5.1136 -5.0411 -3.9123 -3.9065 -3.4451 -3.2444 -3.1340 -3.1305 -2.8531 -2.8469 -1.4077 -1.2961 4.0482 4.0620 8.3883 8.4541 8.8563 8.8675 13.6254 13.6734 16.2463 16.2930 18.7965 18.8426 19.6208 19.6263 k = 0.4615 0.2665 0.3297 ( 1013 PWs) bands (ev): -5.1158 -5.0376 -3.9097 -3.9022 -3.4575 -3.2426 -3.1303 -3.1237 -2.8560 -2.8482 -1.3968 -1.2778 4.0715 4.0866 8.2943 8.3635 8.8310 8.8427 13.7154 13.7653 16.2084 16.2583 18.7276 18.7782 19.6527 19.6582 k = 0.4583 0.2646 0.3402 ( 1013 PWs) bands (ev): -5.1178 -5.0342 -3.9069 -3.8974 -3.4697 -3.2410 -3.1265 -3.1166 -2.8591 -2.8494 -1.3846 -1.2587 4.0967 4.1130 8.1969 8.2692 8.8042 8.8164 13.8083 13.8596 16.1684 16.2209 18.6608 18.7157 19.6876 19.6930 k = 0.4551 0.2628 0.3507 ( 1013 PWs) bands (ev): -5.1198 -5.0310 -3.9040 -3.8922 -3.4817 -3.2396 -3.1226 -3.1094 -2.8625 -2.8506 -1.3711 -1.2389 4.1237 4.1412 8.0968 8.1721 8.7759 8.7885 13.9029 13.9553 16.1264 16.1811 18.5971 18.6561 19.7251 19.7303 k = 0.4519 0.2609 0.3611 ( 1013 PWs) bands (ev): -5.1217 -5.0280 -3.9011 -3.8867 -3.4935 -3.2383 -3.1187 -3.1022 -2.8659 -2.8517 -1.3564 -1.2186 4.1525 4.1712 7.9945 8.0726 8.7463 8.7593 13.9985 14.0515 16.0830 16.1394 18.5371 18.6001 19.7647 19.7698 k = 0.4487 0.2591 0.3716 ( 1012 PWs) bands (ev): -5.1235 -5.0252 -3.8981 -3.8807 -3.5049 -3.2371 -3.1149 -3.0949 -2.8695 -2.8527 -1.3408 -1.1979 4.1830 4.2028 7.8907 7.9714 8.7155 8.7289 14.0939 14.1471 16.0389 16.0964 18.4814 18.5481 19.8064 19.8112 k = 0.4455 0.2572 0.3821 ( 1012 PWs) bands (ev): -5.1253 -5.0227 -3.8951 -3.8744 -3.5161 -3.2358 -3.1110 -3.0876 -2.8732 -2.8536 -1.3241 -1.1767 4.2150 4.2360 7.7859 7.8690 8.6835 8.6974 14.1880 14.2410 15.9947 16.0527 18.4305 18.5007 19.8496 19.8542 k = 0.4423 0.2554 0.3925 ( 1014 PWs) bands (ev): -5.1270 -5.0204 -3.8922 -3.8678 -3.5269 -3.2346 -3.1071 -3.0804 -2.8769 -2.8544 -1.3066 -1.1552 4.2486 4.2705 7.6805 7.7659 8.6506 8.6648 14.2797 14.3320 15.9514 16.0092 18.3848 18.4581 19.8943 19.8985 k = 0.4391 0.2535 0.4030 ( 1012 PWs) bands (ev): -5.1287 -5.0184 -3.8891 -3.8608 -3.5374 -3.2332 -3.1033 -3.0732 -2.8807 -2.8550 -1.2882 -1.1336 4.2835 4.3065 7.5752 7.6628 8.6169 8.6314 14.3677 14.4185 15.9103 15.9670 18.3443 18.4205 19.9400 19.9439 k = 0.4359 0.2517 0.4135 ( 1014 PWs) bands (ev): -5.1304 -5.0167 -3.8862 -3.8535 -3.5474 -3.2318 -3.0996 -3.0661 -2.8846 -2.8555 -1.2692 -1.1117 4.3197 4.3435 7.4703 7.5600 8.5825 8.5974 14.4502 14.4989 15.8726 15.9274 18.3093 18.3881 19.9866 19.9900 k = 0.4327 0.2498 0.4240 ( 1014 PWs) bands (ev): -5.1320 -5.0153 -3.8833 -3.8460 -3.5571 -3.2303 -3.0959 -3.0592 -2.8884 -2.8558 -1.2497 -1.0899 4.3569 4.3816 7.3664 7.4582 8.5477 8.5628 14.5256 14.5712 15.8402 15.8920 18.2799 18.3611 20.0339 20.0367 k = 0.4295 0.2480 0.4344 ( 1010 PWs) bands (ev): -5.1337 -5.0142 -3.8804 -3.8383 -3.5662 -3.2287 -3.0923 -3.0523 -2.8921 -2.8559 -1.2297 -1.0681 4.3952 4.4206 7.2639 7.3577 8.5124 8.5277 14.5918 14.6335 15.8148 15.8625 18.2563 18.3396 20.0815 20.0837 k = 0.4263 0.2461 0.4449 ( 1014 PWs) bands (ev): -5.1353 -5.0135 -3.8777 -3.8304 -3.5748 -3.2270 -3.0889 -3.0456 -2.8959 -2.8558 -1.2095 -1.0465 4.4341 4.4601 7.1633 7.2591 8.4768 8.4924 14.6469 14.6835 15.7981 15.8405 18.2384 18.3236 20.1292 20.1307 k = 0.4231 0.2443 0.4554 ( 1014 PWs) bands (ev): -5.1369 -5.0130 -3.8751 -3.8224 -3.5829 -3.2252 -3.0855 -3.0389 -2.8995 -2.8556 -1.1891 -1.0251 4.4735 4.5000 7.0652 7.1631 8.4412 8.4570 14.6889 14.7195 15.7917 15.8279 18.2263 18.3132 20.1769 20.1775 k = 0.4199 0.2424 0.4658 ( 1016 PWs) bands (ev): -5.1384 -5.0129 -3.8726 -3.8144 -3.5905 -3.2234 -3.0824 -3.0325 -2.9031 -2.8551 -1.1686 -1.0042 4.5132 4.5399 6.9701 7.0700 8.4055 8.4215 14.7164 14.7406 15.7964 15.8257 18.2200 18.3083 20.2239 20.2243 k = 0.4167 0.2406 0.4763 ( 1016 PWs) bands (ev): -5.1400 -5.0131 -3.8701 -3.8064 -3.5974 -3.2215 -3.0793 -3.0261 -2.9065 -2.8544 -1.1484 -0.9838 4.5528 4.5796 6.8785 6.9806 8.3701 8.3861 14.7292 14.7469 15.8117 15.8339 18.2194 18.3090 20.2696 20.2711 k = 0.4135 0.2387 0.4868 ( 1016 PWs) bands (ev): -5.1415 -5.0135 -3.8679 -3.7986 -3.6035 -3.2195 -3.0764 -3.0199 -2.9098 -2.8536 -1.1284 -0.9640 4.5919 4.6187 6.7912 6.8954 8.3349 8.3511 14.7279 14.7396 15.8361 15.8518 18.2246 18.3152 20.3145 20.3172 k = 0.4103 0.2369 0.4972 ( 1015 PWs) bands (ev): -5.1430 -5.0142 -3.8657 -3.7910 -3.6089 -3.2176 -3.0736 -3.0138 -2.9130 -2.8525 -1.1089 -0.9450 4.6302 4.6567 6.7088 6.8152 8.3001 8.3163 14.7139 14.7207 15.8673 15.8775 18.2353 18.3268 20.3582 20.3624 k = 0.4071 0.2350 0.5077 ( 1015 PWs) bands (ev): -5.1444 -5.0152 -3.8637 -3.7839 -3.6134 -3.2156 -3.0711 -3.0079 -2.9159 -2.8513 -1.0901 -0.9270 4.6673 4.6932 6.6319 6.7406 8.2659 8.2822 14.6895 14.6925 15.9031 15.9087 18.2514 18.3434 20.4006 20.4066 k = 0.4038 0.2332 0.5182 ( 1015 PWs) bands (ev): -5.1458 -5.0164 -3.8618 -3.7773 -3.6170 -3.2138 -3.0687 -3.0021 -2.9187 -2.8499 -1.0721 -0.9100 4.7025 4.7277 6.5614 6.6724 8.2323 8.2486 14.6566 14.6570 15.9410 15.9433 18.2725 18.3648 20.4415 20.4494 k = 0.4006 0.2313 0.5286 ( 1015 PWs) bands (ev): -5.1472 -5.0178 -3.8601 -3.7714 -3.6195 -3.2119 -3.0664 -2.9966 -2.9213 -2.8484 -1.0551 -0.8943 4.7354 4.7597 6.4979 6.6113 8.1995 8.2158 14.6163 14.6174 15.9791 15.9793 18.2982 18.3906 20.4808 20.4908 k = 0.3974 0.2295 0.5391 ( 1007 PWs) bands (ev): -5.1484 -5.0193 -3.8585 -3.7663 -3.6208 -3.2101 -3.0643 -2.9911 -2.9236 -2.8467 -1.0394 -0.8800 4.7655 4.7886 6.4424 6.5583 8.1677 8.1839 14.5717 14.5734 16.0146 16.0164 18.3280 18.4201 20.5181 20.5307 k = 0.3942 0.2276 0.5496 ( 1009 PWs) bands (ev): -5.1496 -5.0211 -3.8571 -3.7621 -3.6209 -3.2085 -3.0624 -2.9859 -2.9258 -2.8449 -1.0251 -0.8673 4.7921 4.8139 6.3955 6.5138 8.1368 8.1529 14.5245 14.5261 16.0483 16.0512 18.3612 18.4527 20.5534 20.5689 k = 0.3910 0.2258 0.5600 ( 1013 PWs) bands (ev): -5.1507 -5.0230 -3.8559 -3.7590 -3.6198 -3.2070 -3.0607 -2.9810 -2.9278 -2.8432 -1.0124 -0.8564 4.8149 4.8352 6.3580 6.4785 8.1070 8.1230 14.4755 14.4764 16.0796 16.0831 18.3971 18.4876 20.5865 20.6052 k = 0.3878 0.2239 0.5705 ( 1013 PWs) bands (ev): -5.1517 -5.0249 -3.8548 -3.7568 -3.6175 -3.2057 -3.0590 -2.9763 -2.9295 -2.8413 -1.0016 -0.8474 4.8335 4.8524 6.3303 6.4530 8.0784 8.0944 14.4253 14.4255 16.1078 16.1116 18.4346 18.5238 20.6172 20.6397 k = 0.3846 0.2221 0.5810 ( 1013 PWs) bands (ev): -5.1525 -5.0270 -3.8538 -3.7557 -3.6141 -3.2045 -3.0575 -2.9719 -2.9310 -2.8394 -0.9928 -0.8406 4.8477 4.8652 6.3129 6.4375 8.0512 8.0670 14.3733 14.3750 16.1326 16.1365 18.4729 18.5605 20.6455 20.6722 k = 0.3814 0.2202 0.5914 ( 1013 PWs) bands (ev): -5.1533 -5.0290 -3.8530 -3.7554 -3.6097 -3.2036 -3.0562 -2.9679 -2.9321 -2.8376 -0.9862 -0.8360 4.8578 4.8740 6.3057 6.4320 8.0255 8.0411 14.3209 14.3245 16.1539 16.1577 18.5110 18.5968 20.6712 20.7026 k = 0.3782 0.2184 0.6019 ( 1013 PWs) bands (ev): -5.1538 -5.0311 -3.8523 -3.7558 -3.6044 -3.2029 -3.0550 -2.9643 -2.9329 -2.8358 -0.9821 -0.8339 4.8641 4.8791 6.3086 6.4362 8.0012 8.0166 14.2686 14.2742 16.1718 16.1754 18.5479 18.6315 20.6944 20.7309 k = 0.3750 0.2165 0.6124 ( 1011 PWs) bands (ev): -5.1543 -5.0332 -3.8516 -3.7569 -3.5986 -3.2023 -3.0538 -2.9612 -2.9333 -2.8341 -0.9805 -0.8345 4.8673 4.8812 6.3210 6.4496 7.9785 7.9938 14.2167 14.2243 16.1864 16.1897 18.5826 18.6639 20.7150 20.7569 k = 0.6250-0.0722 0.4082 ( 1011 PWs) bands (ev): -5.1543 -5.0332 -3.8516 -3.7569 -3.5986 -3.2023 -3.0538 -2.9612 -2.9333 -2.8341 -0.9805 -0.8345 4.8673 4.8812 6.3210 6.4496 7.9785 7.9938 14.2167 14.2243 16.1864 16.1897 18.5826 18.6639 20.7150 20.7569 k = 0.6196-0.0816 0.4082 ( 1015 PWs) bands (ev): -5.1548 -5.0368 -3.8507 -3.7594 -3.5879 -3.2018 -3.0520 -2.9576 -2.9324 -2.8313 -0.9813 -0.8388 4.8697 4.8819 6.3534 6.4831 7.9420 7.9569 14.1290 14.1404 16.2053 16.2081 18.6381 18.7151 20.7468 20.7993 k = 0.6141-0.0910 0.4082 ( 1015 PWs) bands (ev): -5.1551 -5.0405 -3.8498 -3.7624 -3.5763 -3.2015 -3.0501 -2.9564 -2.9291 -2.8285 -0.9838 -0.8452 4.8706 4.8813 6.3925 6.5229 7.9066 7.9212 14.0417 14.0568 16.2183 16.2207 18.6913 18.7638 20.7758 20.8417 k = 0.6087-0.1004 0.4082 ( 1015 PWs) bands (ev): -5.1554 -5.0444 -3.8489 -3.7657 -3.5640 -3.2013 -3.0482 -2.9571 -2.9238 -2.8257 -0.9880 -0.8534 4.8699 4.8793 6.4380 6.5685 7.8724 7.8866 13.9548 13.9734 16.2255 16.2277 18.7417 18.8094 20.8013 20.8837 k = 0.6033-0.1098 0.4082 ( 1015 PWs) bands (ev): -5.1555 -5.0483 -3.8480 -3.7692 -3.5512 -3.2015 -3.0463 -2.9589 -2.9174 -2.8230 -0.9936 -0.8632 4.8678 4.8760 6.4892 6.6193 7.8395 7.8534 13.8684 13.8904 16.2274 16.2294 18.7887 18.8514 20.8231 20.9249 k = 0.5978-0.1192 0.4082 ( 1015 PWs) bands (ev): -5.1554 -5.0524 -3.8472 -3.7728 -3.5378 -3.2019 -3.0444 -2.9613 -2.9104 -2.8203 -1.0004 -0.8744 4.8643 4.8716 6.5455 6.6746 7.8079 7.8215 13.7826 13.8077 16.2242 16.2263 18.8319 18.8895 20.8416 20.9649 k = 0.5924-0.1286 0.4082 ( 1019 PWs) bands (ev): -5.1553 -5.0566 -3.8463 -3.7766 -3.5241 -3.2027 -3.0425 -2.9640 -2.9032 -2.8178 -1.0082 -0.8867 4.8598 4.8663 6.6062 6.7336 7.7776 7.7910 13.6976 13.7256 16.2166 16.2187 18.8708 18.9234 20.8582 21.0030 k = 0.5870-0.1381 0.4082 ( 1019 PWs) bands (ev): -5.1549 -5.0608 -3.8455 -3.7804 -3.5100 -3.2038 -3.0406 -2.9669 -2.8958 -2.8153 -1.0166 -0.9001 4.8544 4.8601 6.6705 6.7957 7.7489 7.7621 13.6136 13.6442 16.2052 16.2072 18.9053 18.9531 20.8749 21.0386 k = 0.5815-0.1475 0.4082 ( 1019 PWs) bands (ev): -5.1545 -5.0651 -3.8446 -3.7842 -3.4956 -3.2053 -3.0386 -2.9698 -2.8884 -2.8130 -1.0256 -0.9142 4.8482 4.8535 6.7375 6.8600 7.7217 7.7346 13.5310 13.5638 16.1904 16.1926 18.9355 18.9785 20.8936 21.0710 k = 0.5761-0.1569 0.4082 ( 1015 PWs) bands (ev): -5.1539 -5.0695 -3.8437 -3.7879 -3.4810 -3.2071 -3.0367 -2.9727 -2.8811 -2.8108 -1.0348 -0.9289 4.8417 4.8464 6.8064 6.9256 7.6961 7.7088 13.4500 13.4846 16.1730 16.1752 18.9614 19.0001 20.9157 21.1003 k = 0.5707-0.1663 0.4082 ( 1013 PWs) bands (ev): -5.1530 -5.0739 -3.8428 -3.7916 -3.4663 -3.2094 -3.0347 -2.9756 -2.8738 -2.8087 -1.0440 -0.9438 4.8348 4.8391 6.8763 6.9916 7.6721 7.6847 13.3710 13.4070 16.1537 16.1559 18.9833 19.0179 20.9416 21.1269 k = 0.5652-0.1757 0.4082 ( 1013 PWs) bands (ev): -5.1521 -5.0783 -3.8419 -3.7952 -3.4515 -3.2122 -3.0328 -2.9785 -2.8668 -2.8068 -1.0531 -0.9590 4.8279 4.8318 6.9463 7.0572 7.6499 7.6623 13.2945 13.3313 16.1329 16.1351 19.0017 19.0325 20.9711 21.1519 k = 0.5598-0.1851 0.4082 ( 1013 PWs) bands (ev): -5.1510 -5.0827 -3.8410 -3.7986 -3.4368 -3.2154 -3.0309 -2.9813 -2.8599 -2.8052 -1.0618 -0.9741 4.8210 4.8246 7.0156 7.1213 7.6295 7.6418 13.2211 13.2581 16.1114 16.1136 19.0170 19.0443 21.0039 21.1761 k = 0.5543-0.1945 0.4082 ( 1013 PWs) bands (ev): -5.1497 -5.0871 -3.8401 -3.8020 -3.4221 -3.2193 -3.0290 -2.9841 -2.8533 -2.8038 -1.0700 -0.9890 4.8143 4.8175 7.0831 7.1832 7.6110 7.6233 13.1512 13.1879 16.0897 16.0918 19.0295 19.0536 21.0389 21.1999 k = 0.5489-0.2040 0.4082 ( 1013 PWs) bands (ev): -5.1482 -5.0915 -3.8392 -3.8052 -3.4075 -3.2236 -3.0270 -2.9869 -2.8470 -2.8026 -1.0775 -1.0035 4.8080 4.8109 7.1479 7.2416 7.5947 7.6068 13.0854 13.1211 16.0685 16.0705 19.0398 19.0609 21.0752 21.2229 k = 0.5435-0.2134 0.4082 ( 1013 PWs) bands (ev): -5.1465 -5.0958 -3.8382 -3.8083 -3.3931 -3.2286 -3.0251 -2.9896 -2.8410 -2.8017 -1.0841 -1.0175 4.8021 4.8047 7.2089 7.2955 7.5807 7.5926 13.0245 13.0586 16.0482 16.0500 19.0481 19.0665 21.1117 21.2447 k = 0.5380-0.2228 0.4082 ( 1013 PWs) bands (ev): -5.1447 -5.1001 -3.8371 -3.8112 -3.3790 -3.2342 -3.0231 -2.9922 -2.8354 -2.8011 -1.0898 -1.0307 4.7967 4.7990 7.2651 7.3437 7.5694 7.5809 12.9691 13.0008 16.0293 16.0309 19.0550 19.0707 21.1473 21.2646 k = 0.5326-0.2322 0.4082 ( 1013 PWs) bands (ev): -5.1427 -5.1042 -3.8360 -3.8139 -3.3652 -3.2404 -3.0212 -2.9948 -2.8301 -2.8008 -1.0943 -1.0431 4.7920 4.7939 7.3154 7.3848 7.5615 7.5720 12.9198 12.9485 16.0121 16.0136 19.0606 19.0738 21.1812 21.2821 k = 0.5272-0.2416 0.4082 ( 1013 PWs) bands (ev): -5.1405 -5.1083 -3.8348 -3.8165 -3.3517 -3.2473 -3.0192 -2.9973 -2.8252 -2.8010 -1.0976 -1.0546 4.7879 4.7895 7.3586 7.4173 7.5577 7.5662 12.8773 12.9023 15.9971 15.9983 19.0651 19.0760 21.2124 21.2966 k = 0.5217-0.2510 0.4082 ( 1013 PWs) bands (ev): -5.1380 -5.1122 -3.8335 -3.8190 -3.3387 -3.2549 -3.0172 -2.9998 -2.8208 -2.8014 -1.0996 -1.0649 4.7845 4.7858 7.3937 7.4399 7.5585 7.5639 12.8422 12.8630 15.9844 15.9854 19.0688 19.0774 21.2403 21.3076 k = 0.5163-0.2604 0.4082 ( 1015 PWs) bands (ev): -5.1354 -5.1160 -3.8321 -3.8213 -3.3262 -3.2632 -3.0152 -3.0022 -2.8168 -2.8023 -1.1003 -1.0741 4.7818 4.7828 7.4200 7.4529 7.5632 7.5650 12.8150 12.8310 15.9743 15.9751 19.0717 19.0781 21.2644 21.3147 k = 0.5109-0.2698 0.4082 ( 1015 PWs) bands (ev): -5.1327 -5.1197 -3.8306 -3.8234 -3.3142 -3.2721 -3.0132 -3.0045 -2.8133 -2.8036 -1.0995 -1.0820 4.7800 4.7807 7.4380 7.4584 7.5685 7.5691 12.7960 12.8070 15.9670 15.9675 19.0741 19.0783 21.2842 21.3177 k = 0.5054-0.2793 0.4082 ( 1011 PWs) bands (ev): -5.1297 -5.1232 -3.8290 -3.8254 -3.3027 -3.2816 -3.0110 -3.0067 -2.8102 -2.8053 -1.0973 -1.0885 4.7790 4.7793 7.4494 7.4589 7.5725 7.5735 12.7857 12.7912 15.9627 15.9630 19.0760 19.0781 21.2996 21.3163 k = 0.5000-0.2887 0.4082 ( 998 PWs) bands (ev): -5.1265 -5.1265 -3.8272 -3.8272 -3.2918 -3.2918 -3.0088 -3.0088 -2.8074 -2.8074 -1.0936 -1.0936 4.7788 4.7788 7.4561 7.4561 7.5747 7.5747 12.7841 12.7841 15.9614 15.9614 19.0774 19.0774 21.3104 21.3104 Writing output data file InN.save init_run : 4.09s CPU 14.00s WALL ( 1 calls) electrons : 146.58s CPU 152.77s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.25s CPU 1.36s WALL ( 1 calls) Called by electrons: c_bands : 146.55s CPU 152.42s WALL ( 1 calls) v_of_rho : 0.07s CPU 0.82s WALL ( 1 calls) v_h : 0.02s CPU 0.03s WALL ( 1 calls) v_xc : 0.04s CPU 0.44s WALL ( 1 calls) newd : 0.10s CPU 0.36s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.33s WALL ( 421 calls) cegterg : 87.76s CPU 88.56s WALL ( 438 calls) Called by sum_band: Called by *egterg: h_psi : 45.05s CPU 48.09s WALL ( 6817 calls) s_psi : 2.42s CPU 3.13s WALL ( 6817 calls) g_psi : 0.04s CPU 0.08s WALL ( 5958 calls) cdiaghg : 28.76s CPU 28.19s WALL ( 6379 calls) cegterg:over : 8.77s CPU 7.29s WALL ( 5958 calls) cegterg:upda : 0.18s CPU 0.74s WALL ( 5958 calls) cegterg:last : 0.22s CPU 0.66s WALL ( 1646 calls) Called by h_psi: h_psi:vloc : 38.23s CPU 41.24s WALL ( 6817 calls) h_psi:vnl : 6.80s CPU 6.78s WALL ( 6817 calls) add_vuspsi : 0.70s CPU 2.06s WALL ( 6817 calls) General routines calbec : 6.09s CPU 4.66s WALL ( 6817 calls) fft : 0.19s CPU 1.07s WALL ( 19 calls) ffts : 0.00s CPU 0.06s WALL ( 4 calls) fftw : 36.84s CPU 39.48s WALL ( 498692 calls) interpolate : 0.02s CPU 0.09s WALL ( 4 calls) davcio : 0.03s CPU 2.64s WALL ( 842 calls) Parallel routines fft_scatter : 26.57s CPU 28.31s WALL ( 498715 calls) PWSCF : 3m 0.53s CPU 4m52.53s WALL This run was terminated on: 22:20:23 25Aug2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=