Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:55:47 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 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 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: ./CaxSiNix2.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 58 39 11 1102 599 97 Max 59 40 12 1106 614 99 Sum 2121 1417 425 39741 21883 3541 bravais-lattice index = 14 lattice parameter (alat) = 10.5782 a.u. unit-cell volume = 518.7705 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 38.00 number of Kohn-Sham states= 46 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 274.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.578243 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.746351 celldm(5)= -0.746351 celldm(6)= 0.492702 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.492702 0.870198 0.000000 ) a(3) = ( -0.746351 -0.435099 0.503636 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.566195 0.992781 ) b(2) = ( 0.000000 1.149164 0.992781 ) b(3) = ( 0.000000 0.000000 1.985562 ) PseudoPot. # 1 for Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 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 Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 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. # 3 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 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 atomic species valence mass pseudopotential Ca 10.00 40.07800 Ca( 1.00) Ni 10.00 58.69340 Ni( 1.00) Si 4.00 28.08550 Si( 1.00) 4 Sym. Ops., with 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 = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 364 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 2) = ( 0.0000000 0.0000000 0.0177282), wk = 0.0027473 k( 3) = ( 0.0000000 0.0000000 0.0354565), wk = 0.0027473 k( 4) = ( 0.0000000 0.0000000 0.0531847), wk = 0.0027473 k( 5) = ( 0.0000000 0.0000000 0.0709129), wk = 0.0027473 k( 6) = ( 0.0000000 0.0000000 0.0886412), wk = 0.0027473 k( 7) = ( 0.0000000 0.0000000 0.1063694), wk = 0.0027473 k( 8) = ( 0.0000000 0.0000000 0.1240976), wk = 0.0027473 k( 9) = ( 0.0000000 0.0000000 0.1418259), wk = 0.0027473 k( 10) = ( 0.0000000 0.0000000 0.1595541), wk = 0.0027473 k( 11) = ( 0.0000000 0.0000000 0.1772823), wk = 0.0027473 k( 12) = ( 0.0000000 0.0000000 0.1950106), wk = 0.0027473 k( 13) = ( 0.0000000 0.0000000 0.2127388), wk = 0.0027473 k( 14) = ( 0.0000000 0.0000000 0.2304670), wk = 0.0027473 k( 15) = ( 0.0000000 0.0000000 0.2481953), wk = 0.0027473 k( 16) = ( 0.0000000 0.0000000 0.2659235), wk = 0.0027473 k( 17) = ( 0.0000000 0.0000000 0.2836517), wk = 0.0027473 k( 18) = ( 0.0000000 0.0000000 0.3013800), wk = 0.0027473 k( 19) = ( 0.0000000 0.0000000 0.3191082), wk = 0.0027473 k( 20) = ( 0.0000000 0.0000000 0.3368364), wk = 0.0027473 k( 21) = ( 0.0000000 0.0000000 0.3545647), wk = 0.0027473 k( 22) = ( 0.0000000 0.0000000 0.3722929), wk = 0.0027473 k( 23) = ( 0.0000000 0.0000000 0.3900211), wk = 0.0027473 k( 24) = ( 0.0000000 0.0000000 0.4077494), wk = 0.0027473 k( 25) = ( 0.0000000 0.0000000 0.4254776), wk = 0.0027473 k( 26) = ( 0.0000000 0.0000000 0.4432058), wk = 0.0027473 k( 27) = ( 0.0000000 0.0000000 0.4609341), wk = 0.0027473 k( 28) = ( 0.0000000 0.0000000 0.4786623), wk = 0.0027473 k( 29) = ( 0.0000000 0.0000000 0.4963905), wk = 0.0027473 k( 30) = ( 0.0000000 0.0000000 0.5141188), wk = 0.0027473 k( 31) = ( 0.0000000 0.0000000 0.5318470), wk = 0.0027473 k( 32) = ( 0.0000000 0.0000000 0.5495752), wk = 0.0027473 k( 33) = ( 0.0000000 0.0000000 0.5673035), wk = 0.0027473 k( 34) = ( 0.0000000 0.0000000 0.5850317), wk = 0.0027473 k( 35) = ( 0.0000000 0.0000000 0.6027599), wk = 0.0027473 k( 36) = ( 0.0000000 0.0000000 0.6204882), wk = 0.0027473 k( 37) = ( 0.0000000 0.0000000 0.6382164), wk = 0.0027473 k( 38) = ( 0.0000000 0.0000000 0.6559446), wk = 0.0027473 k( 39) = ( 0.0000000 0.0000000 0.6736729), wk = 0.0027473 k( 40) = ( 0.0000000 0.0000000 0.6914011), wk = 0.0027473 k( 41) = ( 0.0000000 0.0000000 0.7091293), wk = 0.0027473 k( 42) = ( 0.0000000 0.0000000 0.7268576), wk = 0.0027473 k( 43) = ( 0.0000000 0.0000000 0.7445858), wk = 0.0027473 k( 44) = ( 0.0000000 0.0000000 0.7623140), wk = 0.0027473 k( 45) = ( 0.0000000 0.0000000 0.7800423), wk = 0.0027473 k( 46) = ( 0.0000000 0.0000000 0.7977705), wk = 0.0027473 k( 47) = ( 0.0000000 0.0000000 0.8154987), wk = 0.0027473 k( 48) = ( 0.0000000 0.0000000 0.8332270), wk = 0.0027473 k( 49) = ( 0.0000000 0.0000000 0.8509552), wk = 0.0027473 k( 50) = ( 0.0000000 0.0000000 0.8686834), wk = 0.0027473 k( 51) = ( 0.0000000 0.0000000 0.8864117), wk = 0.0027473 k( 52) = ( 0.0000000 0.0000000 0.9041399), wk = 0.0027473 k( 53) = ( 0.0000000 0.0000000 0.9218681), wk = 0.0027473 k( 54) = ( 0.0000000 0.0000000 0.9395964), wk = 0.0027473 k( 55) = ( 0.0000000 0.0000000 0.9573246), wk = 0.0027473 k( 56) = ( 0.0000000 0.0000000 0.9750528), wk = 0.0027473 k( 57) = ( 0.0000000 0.0000000 0.9927811), wk = 0.0027473 k( 58) = ( 0.0000000 0.0000000 0.9927811), wk = 0.0027473 k( 59) = ( -0.0084963 0.0145742 0.9927811), wk = 0.0027473 k( 60) = ( -0.0169926 0.0291484 0.9927811), wk = 0.0027473 k( 61) = ( -0.0254889 0.0437226 0.9927811), wk = 0.0027473 k( 62) = ( -0.0339852 0.0582968 0.9927811), wk = 0.0027473 k( 63) = ( -0.0424815 0.0728710 0.9927811), wk = 0.0027473 k( 64) = ( -0.0509778 0.0874453 0.9927811), wk = 0.0027473 k( 65) = ( -0.0594741 0.1020195 0.9927811), wk = 0.0027473 k( 66) = ( -0.0679704 0.1165937 0.9927811), wk = 0.0027473 k( 67) = ( -0.0764667 0.1311679 0.9927811), wk = 0.0027473 k( 68) = ( -0.0849630 0.1457421 0.9927811), wk = 0.0027473 k( 69) = ( -0.0849630 0.1457421 0.9927811), wk = 0.0027473 k( 70) = ( -0.0912514 0.1565290 0.9802950), wk = 0.0027473 k( 71) = ( -0.0975399 0.1673159 0.9678089), wk = 0.0027473 k( 72) = ( -0.1038283 0.1781029 0.9553228), wk = 0.0027473 k( 73) = ( -0.1101168 0.1888898 0.9428367), wk = 0.0027473 k( 74) = ( -0.1164052 0.1996767 0.9303506), wk = 0.0027473 k( 75) = ( -0.1226937 0.2104637 0.9178645), wk = 0.0027473 k( 76) = ( -0.1289821 0.2212506 0.9053785), wk = 0.0027473 k( 77) = ( -0.1352705 0.2320375 0.8928924), wk = 0.0027473 k( 78) = ( -0.1415590 0.2428245 0.8804063), wk = 0.0027473 k( 79) = ( -0.1478474 0.2536114 0.8679202), wk = 0.0027473 k( 80) = ( -0.1541358 0.2643983 0.8554341), wk = 0.0027473 k( 81) = ( -0.1604243 0.2751853 0.8429480), wk = 0.0027473 k( 82) = ( -0.1667127 0.2859722 0.8304619), wk = 0.0027473 k( 83) = ( -0.1730012 0.2967591 0.8179758), wk = 0.0027473 k( 84) = ( -0.1792896 0.3075460 0.8054898), wk = 0.0027473 k( 85) = ( -0.1855780 0.3183330 0.7930037), wk = 0.0027473 k( 86) = ( -0.1918665 0.3291199 0.7805176), wk = 0.0027473 k( 87) = ( -0.1981549 0.3399068 0.7680315), wk = 0.0027473 k( 88) = ( -0.2044434 0.3506938 0.7555454), wk = 0.0027473 k( 89) = ( -0.2107318 0.3614807 0.7430593), wk = 0.0027473 k( 90) = ( -0.2170202 0.3722676 0.7305732), wk = 0.0027473 k( 91) = ( -0.2233087 0.3830546 0.7180872), wk = 0.0027473 k( 92) = ( -0.2295971 0.3938415 0.7056011), wk = 0.0027473 k( 93) = ( -0.2358855 0.4046284 0.6931150), wk = 0.0027473 k( 94) = ( -0.2421740 0.4154154 0.6806289), wk = 0.0027473 k( 95) = ( -0.2484624 0.4262023 0.6681428), wk = 0.0027473 k( 96) = ( -0.2547509 0.4369892 0.6556567), wk = 0.0027473 k( 97) = ( -0.2610393 0.4477762 0.6431706), wk = 0.0027473 k( 98) = ( -0.2673277 0.4585631 0.6306845), wk = 0.0027473 k( 99) = ( -0.2736162 0.4693500 0.6181984), wk = 0.0027473 k( 100) = ( -0.2799046 0.4801370 0.6057124), wk = 0.0027473 k( 101) = ( -0.2861931 0.4909239 0.5932263), wk = 0.0027473 k( 102) = ( -0.2924815 0.5017108 0.5807402), wk = 0.0027473 k( 103) = ( -0.2924815 0.5017108 0.5807402), wk = 0.0027473 k( 104) = ( -0.2862585 0.4910361 0.5683840), wk = 0.0027473 k( 105) = ( -0.2800355 0.4803614 0.5560278), wk = 0.0027473 k( 106) = ( -0.2738125 0.4696867 0.5436717), wk = 0.0027473 k( 107) = ( -0.2675895 0.4590120 0.5313155), wk = 0.0027473 k( 108) = ( -0.2613664 0.4483373 0.5189593), wk = 0.0027473 k( 109) = ( -0.2551434 0.4376626 0.5066031), wk = 0.0027473 k( 110) = ( -0.2489204 0.4269879 0.4942470), wk = 0.0027473 k( 111) = ( -0.2426974 0.4163132 0.4818908), wk = 0.0027473 k( 112) = ( -0.2364744 0.4056385 0.4695346), wk = 0.0027473 k( 113) = ( -0.2302514 0.3949638 0.4571785), wk = 0.0027473 k( 114) = ( -0.2240284 0.3842891 0.4448223), wk = 0.0027473 k( 115) = ( -0.2178054 0.3736144 0.4324661), wk = 0.0027473 k( 116) = ( -0.2115824 0.3629397 0.4201099), wk = 0.0027473 k( 117) = ( -0.2053594 0.3522650 0.4077538), wk = 0.0027473 k( 118) = ( -0.1991363 0.3415903 0.3953976), wk = 0.0027473 k( 119) = ( -0.1929133 0.3309156 0.3830414), wk = 0.0027473 k( 120) = ( -0.1866903 0.3202409 0.3706852), wk = 0.0027473 k( 121) = ( -0.1804673 0.3095662 0.3583291), wk = 0.0027473 k( 122) = ( -0.1742443 0.2988915 0.3459729), wk = 0.0027473 k( 123) = ( -0.1680213 0.2882169 0.3336167), wk = 0.0027473 k( 124) = ( -0.1617983 0.2775422 0.3212605), wk = 0.0027473 k( 125) = ( -0.1555753 0.2668675 0.3089044), wk = 0.0027473 k( 126) = ( -0.1493523 0.2561928 0.2965482), wk = 0.0027473 k( 127) = ( -0.1431293 0.2455181 0.2841920), wk = 0.0027473 k( 128) = ( -0.1369062 0.2348434 0.2718358), wk = 0.0027473 k( 129) = ( -0.1306832 0.2241687 0.2594797), wk = 0.0027473 k( 130) = ( -0.1244602 0.2134940 0.2471235), wk = 0.0027473 k( 131) = ( -0.1182372 0.2028193 0.2347673), wk = 0.0027473 k( 132) = ( -0.1120142 0.1921446 0.2224111), wk = 0.0027473 k( 133) = ( -0.1057912 0.1814699 0.2100550), wk = 0.0027473 k( 134) = ( -0.0995682 0.1707952 0.1976988), wk = 0.0027473 k( 135) = ( -0.0933452 0.1601205 0.1853426), wk = 0.0027473 k( 136) = ( -0.0871221 0.1494458 0.1729864), wk = 0.0027473 k( 137) = ( -0.0808991 0.1387711 0.1606303), wk = 0.0027473 k( 138) = ( -0.0746761 0.1280964 0.1482741), wk = 0.0027473 k( 139) = ( -0.0684531 0.1174217 0.1359179), wk = 0.0027473 k( 140) = ( -0.0622301 0.1067470 0.1235617), wk = 0.0027473 k( 141) = ( -0.0560071 0.0960723 0.1112056), wk = 0.0027473 k( 142) = ( -0.0497841 0.0853976 0.0988494), wk = 0.0027473 k( 143) = ( -0.0435611 0.0747229 0.0864932), wk = 0.0027473 k( 144) = ( -0.0373381 0.0640482 0.0741370), wk = 0.0027473 k( 145) = ( -0.0311151 0.0533735 0.0617809), wk = 0.0027473 k( 146) = ( -0.0248920 0.0426988 0.0494247), wk = 0.0027473 k( 147) = ( -0.0186690 0.0320241 0.0370685), wk = 0.0027473 k( 148) = ( -0.0124460 0.0213494 0.0247123), wk = 0.0027473 k( 149) = ( -0.0062230 0.0106747 0.0123562), wk = 0.0027473 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 152) = ( 0.0151515 0.0088329 0.0000000), wk = 0.0027473 k( 153) = ( 0.0303030 0.0176657 0.0000000), wk = 0.0027473 k( 154) = ( 0.0454546 0.0264986 0.0000000), wk = 0.0027473 k( 155) = ( 0.0606061 0.0353314 0.0000000), wk = 0.0027473 k( 156) = ( 0.0757576 0.0441643 0.0000000), wk = 0.0027473 k( 157) = ( 0.0909091 0.0529971 0.0000000), wk = 0.0027473 k( 158) = ( 0.1060606 0.0618300 0.0000000), wk = 0.0027473 k( 159) = ( 0.1212121 0.0706628 0.0000000), wk = 0.0027473 k( 160) = ( 0.1363636 0.0794957 0.0000000), wk = 0.0027473 k( 161) = ( 0.1515151 0.0883285 0.0000000), wk = 0.0027473 k( 162) = ( 0.1666667 0.0971614 0.0000000), wk = 0.0027473 k( 163) = ( 0.1818182 0.1059942 0.0000000), wk = 0.0027473 k( 164) = ( 0.1969697 0.1148271 0.0000000), wk = 0.0027473 k( 165) = ( 0.2121212 0.1236599 0.0000000), wk = 0.0027473 k( 166) = ( 0.2272727 0.1324928 0.0000000), wk = 0.0027473 k( 167) = ( 0.2424242 0.1413256 0.0000000), wk = 0.0027473 k( 168) = ( 0.2575758 0.1501585 0.0000000), wk = 0.0027473 k( 169) = ( 0.2727273 0.1589914 0.0000000), wk = 0.0027473 k( 170) = ( 0.2878788 0.1678242 0.0000000), wk = 0.0027473 k( 171) = ( 0.3030303 0.1766571 0.0000000), wk = 0.0027473 k( 172) = ( 0.3181818 0.1854899 0.0000000), wk = 0.0027473 k( 173) = ( 0.3333333 0.1943228 0.0000000), wk = 0.0027473 k( 174) = ( 0.3484849 0.2031556 0.0000000), wk = 0.0027473 k( 175) = ( 0.3636364 0.2119885 0.0000000), wk = 0.0027473 k( 176) = ( 0.3787879 0.2208213 0.0000000), wk = 0.0027473 k( 177) = ( 0.3939394 0.2296542 0.0000000), wk = 0.0027473 k( 178) = ( 0.4090909 0.2384870 0.0000000), wk = 0.0027473 k( 179) = ( 0.4242424 0.2473199 0.0000000), wk = 0.0027473 k( 180) = ( 0.4393939 0.2561527 0.0000000), wk = 0.0027473 k( 181) = ( 0.4545455 0.2649856 0.0000000), wk = 0.0027473 k( 182) = ( 0.4696970 0.2738184 0.0000000), wk = 0.0027473 k( 183) = ( 0.4848485 0.2826513 0.0000000), wk = 0.0027473 k( 184) = ( 0.5000000 0.2914842 0.0000000), wk = 0.0027473 k( 185) = ( 0.5000000 0.2914842 0.0000000), wk = 0.0027473 k( 186) = ( 0.4937116 0.3022711 0.0124861), wk = 0.0027473 k( 187) = ( 0.4874231 0.3130580 0.0249722), wk = 0.0027473 k( 188) = ( 0.4811347 0.3238450 0.0374583), wk = 0.0027473 k( 189) = ( 0.4748462 0.3346319 0.0499444), wk = 0.0027473 k( 190) = ( 0.4685578 0.3454188 0.0624304), wk = 0.0027473 k( 191) = ( 0.4622694 0.3562058 0.0749165), wk = 0.0027473 k( 192) = ( 0.4559809 0.3669927 0.0874026), wk = 0.0027473 k( 193) = ( 0.4496925 0.3777796 0.0998887), wk = 0.0027473 k( 194) = ( 0.4434040 0.3885665 0.1123748), wk = 0.0027473 k( 195) = ( 0.4371156 0.3993535 0.1248609), wk = 0.0027473 k( 196) = ( 0.4308272 0.4101404 0.1373470), wk = 0.0027473 k( 197) = ( 0.4245387 0.4209273 0.1498330), wk = 0.0027473 k( 198) = ( 0.4182503 0.4317143 0.1623191), wk = 0.0027473 k( 199) = ( 0.4119619 0.4425012 0.1748052), wk = 0.0027473 k( 200) = ( 0.4056734 0.4532881 0.1872913), wk = 0.0027473 k( 201) = ( 0.3993850 0.4640751 0.1997774), wk = 0.0027473 k( 202) = ( 0.3930965 0.4748620 0.2122635), wk = 0.0027473 k( 203) = ( 0.3868081 0.4856489 0.2247496), wk = 0.0027473 k( 204) = ( 0.3805196 0.4964359 0.2372357), wk = 0.0027473 k( 205) = ( 0.3742312 0.5072228 0.2497217), wk = 0.0027473 k( 206) = ( 0.3679428 0.5180097 0.2622078), wk = 0.0027473 k( 207) = ( 0.3616543 0.5287966 0.2746939), wk = 0.0027473 k( 208) = ( 0.3553659 0.5395836 0.2871800), wk = 0.0027473 k( 209) = ( 0.3490775 0.5503705 0.2996661), wk = 0.0027473 k( 210) = ( 0.3427890 0.5611574 0.3121522), wk = 0.0027473 k( 211) = ( 0.3365006 0.5719444 0.3246383), wk = 0.0027473 k( 212) = ( 0.3302121 0.5827313 0.3371243), wk = 0.0027473 k( 213) = ( 0.3239237 0.5935182 0.3496104), wk = 0.0027473 k( 214) = ( 0.3176353 0.6043052 0.3620965), wk = 0.0027473 k( 215) = ( 0.3113468 0.6150921 0.3745826), wk = 0.0027473 k( 216) = ( 0.3050584 0.6258790 0.3870687), wk = 0.0027473 k( 217) = ( 0.2987700 0.6366660 0.3995548), wk = 0.0027473 k( 218) = ( 0.2924815 0.6474529 0.4120409), wk = 0.0027473 k( 219) = ( 0.2924815 0.6474529 0.4120409), wk = 0.0027473 k( 220) = ( 0.2762325 0.6434045 0.4167270), wk = 0.0027473 k( 221) = ( 0.2599836 0.6393561 0.4214130), wk = 0.0027473 k( 222) = ( 0.2437346 0.6353077 0.4260991), wk = 0.0027473 k( 223) = ( 0.2274856 0.6312593 0.4307852), wk = 0.0027473 k( 224) = ( 0.2112366 0.6272109 0.4354713), wk = 0.0027473 k( 225) = ( 0.1949877 0.6231625 0.4401574), wk = 0.0027473 k( 226) = ( 0.1787387 0.6191142 0.4448435), wk = 0.0027473 k( 227) = ( 0.1624897 0.6150658 0.4495296), wk = 0.0027473 k( 228) = ( 0.1462408 0.6110174 0.4542157), wk = 0.0027473 k( 229) = ( 0.1299918 0.6069690 0.4589018), wk = 0.0027473 k( 230) = ( 0.1137428 0.6029206 0.4635879), wk = 0.0027473 k( 231) = ( 0.0974938 0.5988722 0.4682740), wk = 0.0027473 k( 232) = ( 0.0812449 0.5948238 0.4729601), wk = 0.0027473 k( 233) = ( 0.0649959 0.5907754 0.4776462), wk = 0.0027473 k( 234) = ( 0.0487469 0.5867270 0.4823323), wk = 0.0027473 k( 235) = ( 0.0324979 0.5826786 0.4870183), wk = 0.0027473 k( 236) = ( 0.0162490 0.5786303 0.4917044), wk = 0.0027473 k( 237) = ( 0.0000000 0.5745819 0.4963905), wk = 0.0027473 k( 238) = ( 0.0000000 0.5745819 0.4963905), wk = 0.0027473 k( 239) = ( 0.0062500 0.5638609 0.5088003), wk = 0.0027473 k( 240) = ( 0.0125000 0.5531399 0.5212101), wk = 0.0027473 k( 241) = ( 0.0187500 0.5424189 0.5336198), wk = 0.0027473 k( 242) = ( 0.0250000 0.5316979 0.5460296), wk = 0.0027473 k( 243) = ( 0.0312500 0.5209769 0.5584393), wk = 0.0027473 k( 244) = ( 0.0375000 0.5102559 0.5708491), wk = 0.0027473 k( 245) = ( 0.0437500 0.4995349 0.5832589), wk = 0.0027473 k( 246) = ( 0.0500000 0.4888139 0.5956686), wk = 0.0027473 k( 247) = ( 0.0562500 0.4780929 0.6080784), wk = 0.0027473 k( 248) = ( 0.0625000 0.4673719 0.6204882), wk = 0.0027473 k( 249) = ( 0.0687500 0.4566509 0.6328979), wk = 0.0027473 k( 250) = ( 0.0750000 0.4459299 0.6453077), wk = 0.0027473 k( 251) = ( 0.0812500 0.4352089 0.6577174), wk = 0.0027473 k( 252) = ( 0.0875000 0.4244879 0.6701272), wk = 0.0027473 k( 253) = ( 0.0937500 0.4137669 0.6825370), wk = 0.0027473 k( 254) = ( 0.1000000 0.4030459 0.6949467), wk = 0.0027473 k( 255) = ( 0.1062500 0.3923249 0.7073565), wk = 0.0027473 k( 256) = ( 0.1125000 0.3816040 0.7197663), wk = 0.0027473 k( 257) = ( 0.1187500 0.3708830 0.7321760), wk = 0.0027473 k( 258) = ( 0.1250000 0.3601620 0.7445858), wk = 0.0027473 k( 259) = ( 0.1312500 0.3494410 0.7569956), wk = 0.0027473 k( 260) = ( 0.1375000 0.3387200 0.7694053), wk = 0.0027473 k( 261) = ( 0.1437500 0.3279990 0.7818151), wk = 0.0027473 k( 262) = ( 0.1500000 0.3172780 0.7942248), wk = 0.0027473 k( 263) = ( 0.1562500 0.3065570 0.8066346), wk = 0.0027473 k( 264) = ( 0.1625000 0.2958360 0.8190444), wk = 0.0027473 k( 265) = ( 0.1687500 0.2851150 0.8314541), wk = 0.0027473 k( 266) = ( 0.1750000 0.2743940 0.8438639), wk = 0.0027473 k( 267) = ( 0.1812500 0.2636730 0.8562737), wk = 0.0027473 k( 268) = ( 0.1875000 0.2529520 0.8686834), wk = 0.0027473 k( 269) = ( 0.1937500 0.2422310 0.8810932), wk = 0.0027473 k( 270) = ( 0.2000000 0.2315100 0.8935029), wk = 0.0027473 k( 271) = ( 0.2062500 0.2207890 0.9059127), wk = 0.0027473 k( 272) = ( 0.2125000 0.2100680 0.9183225), wk = 0.0027473 k( 273) = ( 0.2187500 0.1993470 0.9307322), wk = 0.0027473 k( 274) = ( 0.2250000 0.1886261 0.9431420), wk = 0.0027473 k( 275) = ( 0.2312500 0.1779051 0.9555518), wk = 0.0027473 k( 276) = ( 0.2375000 0.1671841 0.9679615), wk = 0.0027473 k( 277) = ( 0.2437500 0.1564631 0.9803713), wk = 0.0027473 k( 278) = ( 0.2500000 0.1457421 0.9927811), wk = 0.0027473 k( 279) = ( 0.2500000 0.1457421 0.9927811), wk = 0.0027473 k( 280) = ( 0.2631579 0.1534127 0.9839021), wk = 0.0027473 k( 281) = ( 0.2763158 0.1610833 0.9750232), wk = 0.0027473 k( 282) = ( 0.2894737 0.1687540 0.9661443), wk = 0.0027473 k( 283) = ( 0.3026316 0.1764246 0.9572654), wk = 0.0027473 k( 284) = ( 0.3157895 0.1840953 0.9483865), wk = 0.0027473 k( 285) = ( 0.3289474 0.1917659 0.9395076), wk = 0.0027473 k( 286) = ( 0.3421053 0.1994365 0.9306287), wk = 0.0027473 k( 287) = ( 0.3552632 0.2071072 0.9217498), wk = 0.0027473 k( 288) = ( 0.3684211 0.2147778 0.9128708), wk = 0.0027473 k( 289) = ( 0.3815789 0.2224484 0.9039919), wk = 0.0027473 k( 290) = ( 0.3947368 0.2301191 0.8951130), wk = 0.0027473 k( 291) = ( 0.4078947 0.2377897 0.8862341), wk = 0.0027473 k( 292) = ( 0.4210526 0.2454603 0.8773552), wk = 0.0027473 k( 293) = ( 0.4342105 0.2531310 0.8684763), wk = 0.0027473 k( 294) = ( 0.4473684 0.2608016 0.8595974), wk = 0.0027473 k( 295) = ( 0.4605263 0.2684722 0.8507185), wk = 0.0027473 k( 296) = ( 0.4736842 0.2761429 0.8418395), wk = 0.0027473 k( 297) = ( 0.4868421 0.2838135 0.8329606), wk = 0.0027473 k( 298) = ( 0.5000000 0.2914842 0.8240817), wk = 0.0027473 k( 299) = ( 0.5000000 0.2914842 0.8240817), wk = 0.0027473 k( 300) = ( 0.5000000 0.2914842 0.8065481), wk = 0.0027473 k( 301) = ( 0.5000000 0.2914842 0.7890144), wk = 0.0027473 k( 302) = ( 0.5000000 0.2914842 0.7714808), wk = 0.0027473 k( 303) = ( 0.5000000 0.2914842 0.7539471), wk = 0.0027473 k( 304) = ( 0.5000000 0.2914842 0.7364135), wk = 0.0027473 k( 305) = ( 0.5000000 0.2914842 0.7188798), wk = 0.0027473 k( 306) = ( 0.5000000 0.2914842 0.7013461), wk = 0.0027473 k( 307) = ( 0.5000000 0.2914842 0.6838125), wk = 0.0027473 k( 308) = ( 0.5000000 0.2914842 0.6662788), wk = 0.0027473 k( 309) = ( 0.5000000 0.2914842 0.6487452), wk = 0.0027473 k( 310) = ( 0.5000000 0.2914842 0.6312115), wk = 0.0027473 k( 311) = ( 0.5000000 0.2914842 0.6136779), wk = 0.0027473 k( 312) = ( 0.5000000 0.2914842 0.5961442), wk = 0.0027473 k( 313) = ( 0.5000000 0.2914842 0.5786106), wk = 0.0027473 k( 314) = ( 0.5000000 0.2914842 0.5610769), wk = 0.0027473 k( 315) = ( 0.5000000 0.2914842 0.5435433), wk = 0.0027473 k( 316) = ( 0.5000000 0.2914842 0.5260096), wk = 0.0027473 k( 317) = ( 0.5000000 0.2914842 0.5084759), wk = 0.0027473 k( 318) = ( 0.5000000 0.2914842 0.4909423), wk = 0.0027473 k( 319) = ( 0.5000000 0.2914842 0.4734086), wk = 0.0027473 k( 320) = ( 0.5000000 0.2914842 0.4558750), wk = 0.0027473 k( 321) = ( 0.5000000 0.2914842 0.4383413), wk = 0.0027473 k( 322) = ( 0.5000000 0.2914842 0.4208077), wk = 0.0027473 k( 323) = ( 0.5000000 0.2914842 0.4032740), wk = 0.0027473 k( 324) = ( 0.5000000 0.2914842 0.3857404), wk = 0.0027473 k( 325) = ( 0.5000000 0.2914842 0.3682067), wk = 0.0027473 k( 326) = ( 0.5000000 0.2914842 0.3506731), wk = 0.0027473 k( 327) = ( 0.5000000 0.2914842 0.3331394), wk = 0.0027473 k( 328) = ( 0.5000000 0.2914842 0.3156058), wk = 0.0027473 k( 329) = ( 0.5000000 0.2914842 0.2980721), wk = 0.0027473 k( 330) = ( 0.5000000 0.2914842 0.2805385), wk = 0.0027473 k( 331) = ( 0.5000000 0.2914842 0.2630048), wk = 0.0027473 k( 332) = ( 0.5000000 0.2914842 0.2454712), wk = 0.0027473 k( 333) = ( 0.5000000 0.2914842 0.2279375), wk = 0.0027473 k( 334) = ( 0.5000000 0.2914842 0.2104038), wk = 0.0027473 k( 335) = ( 0.5000000 0.2914842 0.1928702), wk = 0.0027473 k( 336) = ( 0.5000000 0.2914842 0.1753365), wk = 0.0027473 k( 337) = ( 0.5000000 0.2914842 0.1578029), wk = 0.0027473 k( 338) = ( 0.5000000 0.2914842 0.1402692), wk = 0.0027473 k( 339) = ( 0.5000000 0.2914842 0.1227356), wk = 0.0027473 k( 340) = ( 0.5000000 0.2914842 0.1052019), wk = 0.0027473 k( 341) = ( 0.5000000 0.2914842 0.0876683), wk = 0.0027473 k( 342) = ( 0.5000000 0.2914842 0.0701346), wk = 0.0027473 k( 343) = ( 0.5000000 0.2914842 0.0526010), wk = 0.0027473 k( 344) = ( 0.5000000 0.2914842 0.0350673), wk = 0.0027473 k( 345) = ( 0.5000000 0.2914842 0.0175336), wk = 0.0027473 k( 346) = ( 0.5000000 0.2914842 0.0000000), wk = 0.0027473 k( 347) = ( 0.0000000 0.0000000 0.9927811), wk = 0.0027473 k( 348) = ( 0.0147059 0.0085731 0.9927811), wk = 0.0027473 k( 349) = ( 0.0294118 0.0171461 0.9927811), wk = 0.0027473 k( 350) = ( 0.0441177 0.0257192 0.9927811), wk = 0.0027473 k( 351) = ( 0.0588235 0.0342923 0.9927811), wk = 0.0027473 k( 352) = ( 0.0735294 0.0428653 0.9927811), wk = 0.0027473 k( 353) = ( 0.0882353 0.0514384 0.9927811), wk = 0.0027473 k( 354) = ( 0.1029412 0.0600114 0.9927811), wk = 0.0027473 k( 355) = ( 0.1176471 0.0685845 0.9927811), wk = 0.0027473 k( 356) = ( 0.1323529 0.0771576 0.9927811), wk = 0.0027473 k( 357) = ( 0.1470588 0.0857306 0.9927811), wk = 0.0027473 k( 358) = ( 0.1617647 0.0943037 0.9927811), wk = 0.0027473 k( 359) = ( 0.1764706 0.1028768 0.9927811), wk = 0.0027473 k( 360) = ( 0.1911765 0.1114498 0.9927811), wk = 0.0027473 k( 361) = ( 0.2058823 0.1200229 0.9927811), wk = 0.0027473 k( 362) = ( 0.2205882 0.1285960 0.9927811), wk = 0.0027473 k( 363) = ( 0.2352941 0.1371690 0.9927811), wk = 0.0027473 k( 364) = ( 0.2500000 0.1457421 0.9927811), wk = 0.0027473 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 2) = ( 0.0000000 0.0000000 0.0089286), wk = 0.0027473 k( 3) = ( 0.0000000 0.0000000 0.0178571), wk = 0.0027473 k( 4) = ( 0.0000000 0.0000000 0.0267857), wk = 0.0027473 k( 5) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0027473 k( 6) = ( 0.0000000 0.0000000 0.0446429), wk = 0.0027473 k( 7) = ( 0.0000000 0.0000000 0.0535714), wk = 0.0027473 k( 8) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0027473 k( 9) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0027473 k( 10) = ( 0.0000000 0.0000000 0.0803571), wk = 0.0027473 k( 11) = ( 0.0000000 0.0000000 0.0892857), wk = 0.0027473 k( 12) = ( 0.0000000 0.0000000 0.0982143), wk = 0.0027473 k( 13) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0027473 k( 14) = ( 0.0000000 0.0000000 0.1160714), wk = 0.0027473 k( 15) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0027473 k( 16) = ( 0.0000000 0.0000000 0.1339286), wk = 0.0027473 k( 17) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0027473 k( 18) = ( 0.0000000 0.0000000 0.1517857), wk = 0.0027473 k( 19) = ( 0.0000000 0.0000000 0.1607143), wk = 0.0027473 k( 20) = ( 0.0000000 0.0000000 0.1696429), wk = 0.0027473 k( 21) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0027473 k( 22) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0027473 k( 23) = ( 0.0000000 0.0000000 0.1964286), wk = 0.0027473 k( 24) = ( 0.0000000 0.0000000 0.2053571), wk = 0.0027473 k( 25) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0027473 k( 26) = ( 0.0000000 0.0000000 0.2232143), wk = 0.0027473 k( 27) = ( 0.0000000 0.0000000 0.2321429), wk = 0.0027473 k( 28) = ( 0.0000000 0.0000000 0.2410714), wk = 0.0027473 k( 29) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0027473 k( 30) = ( 0.0000000 0.0000000 0.2589286), wk = 0.0027473 k( 31) = ( 0.0000000 0.0000000 0.2678571), wk = 0.0027473 k( 32) = ( 0.0000000 0.0000000 0.2767857), wk = 0.0027473 k( 33) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0027473 k( 34) = ( 0.0000000 0.0000000 0.2946429), wk = 0.0027473 k( 35) = ( 0.0000000 0.0000000 0.3035714), wk = 0.0027473 k( 36) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0027473 k( 37) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0027473 k( 38) = ( 0.0000000 0.0000000 0.3303571), wk = 0.0027473 k( 39) = ( 0.0000000 0.0000000 0.3392857), wk = 0.0027473 k( 40) = ( 0.0000000 0.0000000 0.3482143), wk = 0.0027473 k( 41) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0027473 k( 42) = ( 0.0000000 0.0000000 0.3660714), wk = 0.0027473 k( 43) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0027473 k( 44) = ( 0.0000000 0.0000000 0.3839286), wk = 0.0027473 k( 45) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0027473 k( 46) = ( 0.0000000 0.0000000 0.4017857), wk = 0.0027473 k( 47) = ( 0.0000000 0.0000000 0.4107143), wk = 0.0027473 k( 48) = ( 0.0000000 0.0000000 0.4196429), wk = 0.0027473 k( 49) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0027473 k( 50) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0027473 k( 51) = ( 0.0000000 0.0000000 0.4464286), wk = 0.0027473 k( 52) = ( 0.0000000 0.0000000 0.4553571), wk = 0.0027473 k( 53) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0027473 k( 54) = ( 0.0000000 0.0000000 0.4732143), wk = 0.0027473 k( 55) = ( 0.0000000 0.0000000 0.4821429), wk = 0.0027473 k( 56) = ( 0.0000000 0.0000000 0.4910714), wk = 0.0027473 k( 57) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027473 k( 58) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027473 k( 59) = ( -0.0084963 0.0084963 0.5000000), wk = 0.0027473 k( 60) = ( -0.0169926 0.0169926 0.5000000), wk = 0.0027473 k( 61) = ( -0.0254889 0.0254889 0.5000000), wk = 0.0027473 k( 62) = ( -0.0339852 0.0339852 0.5000000), wk = 0.0027473 k( 63) = ( -0.0424815 0.0424815 0.5000000), wk = 0.0027473 k( 64) = ( -0.0509778 0.0509778 0.5000000), wk = 0.0027473 k( 65) = ( -0.0594741 0.0594741 0.5000000), wk = 0.0027473 k( 66) = ( -0.0679704 0.0679704 0.5000000), wk = 0.0027473 k( 67) = ( -0.0764667 0.0764667 0.5000000), wk = 0.0027473 k( 68) = ( -0.0849630 0.0849630 0.5000000), wk = 0.0027473 k( 69) = ( -0.0849630 0.0849630 0.5000000), wk = 0.0027473 k( 70) = ( -0.0912514 0.0912514 0.4937116), wk = 0.0027473 k( 71) = ( -0.0975399 0.0975399 0.4874231), wk = 0.0027473 k( 72) = ( -0.1038283 0.1038283 0.4811347), wk = 0.0027473 k( 73) = ( -0.1101168 0.1101168 0.4748462), wk = 0.0027473 k( 74) = ( -0.1164052 0.1164052 0.4685578), wk = 0.0027473 k( 75) = ( -0.1226937 0.1226936 0.4622694), wk = 0.0027473 k( 76) = ( -0.1289821 0.1289821 0.4559809), wk = 0.0027473 k( 77) = ( -0.1352705 0.1352705 0.4496925), wk = 0.0027473 k( 78) = ( -0.1415590 0.1415590 0.4434040), wk = 0.0027473 k( 79) = ( -0.1478474 0.1478474 0.4371156), wk = 0.0027473 k( 80) = ( -0.1541358 0.1541358 0.4308272), wk = 0.0027473 k( 81) = ( -0.1604243 0.1604243 0.4245387), wk = 0.0027473 k( 82) = ( -0.1667127 0.1667127 0.4182503), wk = 0.0027473 k( 83) = ( -0.1730012 0.1730012 0.4119618), wk = 0.0027473 k( 84) = ( -0.1792896 0.1792896 0.4056734), wk = 0.0027473 k( 85) = ( -0.1855780 0.1855780 0.3993850), wk = 0.0027473 k( 86) = ( -0.1918665 0.1918665 0.3930965), wk = 0.0027473 k( 87) = ( -0.1981549 0.1981549 0.3868081), wk = 0.0027473 k( 88) = ( -0.2044434 0.2044434 0.3805196), wk = 0.0027473 k( 89) = ( -0.2107318 0.2107318 0.3742312), wk = 0.0027473 k( 90) = ( -0.2170202 0.2170202 0.3679428), wk = 0.0027473 k( 91) = ( -0.2233087 0.2233087 0.3616543), wk = 0.0027473 k( 92) = ( -0.2295971 0.2295971 0.3553659), wk = 0.0027473 k( 93) = ( -0.2358855 0.2358855 0.3490775), wk = 0.0027473 k( 94) = ( -0.2421740 0.2421740 0.3427890), wk = 0.0027473 k( 95) = ( -0.2484624 0.2484624 0.3365006), wk = 0.0027473 k( 96) = ( -0.2547509 0.2547509 0.3302121), wk = 0.0027473 k( 97) = ( -0.2610393 0.2610393 0.3239237), wk = 0.0027473 k( 98) = ( -0.2673277 0.2673277 0.3176353), wk = 0.0027473 k( 99) = ( -0.2736162 0.2736162 0.3113468), wk = 0.0027473 k( 100) = ( -0.2799046 0.2799046 0.3050584), wk = 0.0027473 k( 101) = ( -0.2861931 0.2861931 0.2987700), wk = 0.0027473 k( 102) = ( -0.2924815 0.2924815 0.2924815), wk = 0.0027473 k( 103) = ( -0.2924815 0.2924815 0.2924815), wk = 0.0027473 k( 104) = ( -0.2862585 0.2862585 0.2862585), wk = 0.0027473 k( 105) = ( -0.2800355 0.2800355 0.2800355), wk = 0.0027473 k( 106) = ( -0.2738125 0.2738125 0.2738125), wk = 0.0027473 k( 107) = ( -0.2675895 0.2675895 0.2675895), wk = 0.0027473 k( 108) = ( -0.2613664 0.2613664 0.2613664), wk = 0.0027473 k( 109) = ( -0.2551434 0.2551434 0.2551434), wk = 0.0027473 k( 110) = ( -0.2489204 0.2489204 0.2489204), wk = 0.0027473 k( 111) = ( -0.2426974 0.2426974 0.2426974), wk = 0.0027473 k( 112) = ( -0.2364744 0.2364744 0.2364744), wk = 0.0027473 k( 113) = ( -0.2302514 0.2302514 0.2302514), wk = 0.0027473 k( 114) = ( -0.2240284 0.2240284 0.2240284), wk = 0.0027473 k( 115) = ( -0.2178054 0.2178054 0.2178054), wk = 0.0027473 k( 116) = ( -0.2115824 0.2115824 0.2115824), wk = 0.0027473 k( 117) = ( -0.2053594 0.2053594 0.2053594), wk = 0.0027473 k( 118) = ( -0.1991363 0.1991363 0.1991363), wk = 0.0027473 k( 119) = ( -0.1929133 0.1929133 0.1929133), wk = 0.0027473 k( 120) = ( -0.1866903 0.1866903 0.1866903), wk = 0.0027473 k( 121) = ( -0.1804673 0.1804673 0.1804673), wk = 0.0027473 k( 122) = ( -0.1742443 0.1742443 0.1742443), wk = 0.0027473 k( 123) = ( -0.1680213 0.1680213 0.1680213), wk = 0.0027473 k( 124) = ( -0.1617983 0.1617983 0.1617983), wk = 0.0027473 k( 125) = ( -0.1555753 0.1555753 0.1555753), wk = 0.0027473 k( 126) = ( -0.1493523 0.1493523 0.1493523), wk = 0.0027473 k( 127) = ( -0.1431293 0.1431292 0.1431293), wk = 0.0027473 k( 128) = ( -0.1369062 0.1369062 0.1369062), wk = 0.0027473 k( 129) = ( -0.1306832 0.1306832 0.1306832), wk = 0.0027473 k( 130) = ( -0.1244602 0.1244602 0.1244602), wk = 0.0027473 k( 131) = ( -0.1182372 0.1182372 0.1182372), wk = 0.0027473 k( 132) = ( -0.1120142 0.1120142 0.1120142), wk = 0.0027473 k( 133) = ( -0.1057912 0.1057912 0.1057912), wk = 0.0027473 k( 134) = ( -0.0995682 0.0995682 0.0995682), wk = 0.0027473 k( 135) = ( -0.0933452 0.0933452 0.0933452), wk = 0.0027473 k( 136) = ( -0.0871221 0.0871221 0.0871221), wk = 0.0027473 k( 137) = ( -0.0808991 0.0808991 0.0808991), wk = 0.0027473 k( 138) = ( -0.0746761 0.0746761 0.0746761), wk = 0.0027473 k( 139) = ( -0.0684531 0.0684531 0.0684531), wk = 0.0027473 k( 140) = ( -0.0622301 0.0622301 0.0622301), wk = 0.0027473 k( 141) = ( -0.0560071 0.0560071 0.0560071), wk = 0.0027473 k( 142) = ( -0.0497841 0.0497841 0.0497841), wk = 0.0027473 k( 143) = ( -0.0435611 0.0435611 0.0435611), wk = 0.0027473 k( 144) = ( -0.0373381 0.0373381 0.0373381), wk = 0.0027473 k( 145) = ( -0.0311151 0.0311151 0.0311150), wk = 0.0027473 k( 146) = ( -0.0248920 0.0248920 0.0248920), wk = 0.0027473 k( 147) = ( -0.0186690 0.0186690 0.0186690), wk = 0.0027473 k( 148) = ( -0.0124460 0.0124460 0.0124460), wk = 0.0027473 k( 149) = ( -0.0062230 0.0062230 0.0062230), wk = 0.0027473 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 152) = ( 0.0151515 0.0151515 -0.0151515), wk = 0.0027473 k( 153) = ( 0.0303030 0.0303030 -0.0303030), wk = 0.0027473 k( 154) = ( 0.0454546 0.0454545 -0.0454545), wk = 0.0027473 k( 155) = ( 0.0606061 0.0606061 -0.0606061), wk = 0.0027473 k( 156) = ( 0.0757576 0.0757576 -0.0757576), wk = 0.0027473 k( 157) = ( 0.0909091 0.0909091 -0.0909091), wk = 0.0027473 k( 158) = ( 0.1060606 0.1060606 -0.1060606), wk = 0.0027473 k( 159) = ( 0.1212121 0.1212121 -0.1212121), wk = 0.0027473 k( 160) = ( 0.1363636 0.1363636 -0.1363636), wk = 0.0027473 k( 161) = ( 0.1515151 0.1515151 -0.1515151), wk = 0.0027473 k( 162) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0027473 k( 163) = ( 0.1818182 0.1818182 -0.1818182), wk = 0.0027473 k( 164) = ( 0.1969697 0.1969697 -0.1969697), wk = 0.0027473 k( 165) = ( 0.2121212 0.2121212 -0.2121212), wk = 0.0027473 k( 166) = ( 0.2272727 0.2272727 -0.2272727), wk = 0.0027473 k( 167) = ( 0.2424242 0.2424242 -0.2424242), wk = 0.0027473 k( 168) = ( 0.2575758 0.2575758 -0.2575758), wk = 0.0027473 k( 169) = ( 0.2727273 0.2727273 -0.2727273), wk = 0.0027473 k( 170) = ( 0.2878788 0.2878788 -0.2878788), wk = 0.0027473 k( 171) = ( 0.3030303 0.3030303 -0.3030303), wk = 0.0027473 k( 172) = ( 0.3181818 0.3181818 -0.3181818), wk = 0.0027473 k( 173) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0027473 k( 174) = ( 0.3484849 0.3484849 -0.3484849), wk = 0.0027473 k( 175) = ( 0.3636364 0.3636364 -0.3636364), wk = 0.0027473 k( 176) = ( 0.3787879 0.3787879 -0.3787879), wk = 0.0027473 k( 177) = ( 0.3939394 0.3939394 -0.3939394), wk = 0.0027473 k( 178) = ( 0.4090909 0.4090909 -0.4090909), wk = 0.0027473 k( 179) = ( 0.4242424 0.4242424 -0.4242424), wk = 0.0027473 k( 180) = ( 0.4393939 0.4393939 -0.4393939), wk = 0.0027473 k( 181) = ( 0.4545455 0.4545455 -0.4545455), wk = 0.0027473 k( 182) = ( 0.4696970 0.4696970 -0.4696970), wk = 0.0027473 k( 183) = ( 0.4848485 0.4848485 -0.4848485), wk = 0.0027473 k( 184) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0027473 k( 185) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0027473 k( 186) = ( 0.4937116 0.5062884 -0.4937116), wk = 0.0027473 k( 187) = ( 0.4874231 0.5125769 -0.4874231), wk = 0.0027473 k( 188) = ( 0.4811347 0.5188653 -0.4811347), wk = 0.0027473 k( 189) = ( 0.4748462 0.5251538 -0.4748462), wk = 0.0027473 k( 190) = ( 0.4685578 0.5314422 -0.4685578), wk = 0.0027473 k( 191) = ( 0.4622694 0.5377306 -0.4622694), wk = 0.0027473 k( 192) = ( 0.4559809 0.5440191 -0.4559809), wk = 0.0027473 k( 193) = ( 0.4496925 0.5503075 -0.4496925), wk = 0.0027473 k( 194) = ( 0.4434040 0.5565959 -0.4434040), wk = 0.0027473 k( 195) = ( 0.4371156 0.5628844 -0.4371156), wk = 0.0027473 k( 196) = ( 0.4308272 0.5691728 -0.4308272), wk = 0.0027473 k( 197) = ( 0.4245387 0.5754613 -0.4245387), wk = 0.0027473 k( 198) = ( 0.4182503 0.5817497 -0.4182503), wk = 0.0027473 k( 199) = ( 0.4119619 0.5880382 -0.4119619), wk = 0.0027473 k( 200) = ( 0.4056734 0.5943266 -0.4056734), wk = 0.0027473 k( 201) = ( 0.3993850 0.6006150 -0.3993850), wk = 0.0027473 k( 202) = ( 0.3930965 0.6069035 -0.3930965), wk = 0.0027473 k( 203) = ( 0.3868081 0.6131919 -0.3868081), wk = 0.0027473 k( 204) = ( 0.3805196 0.6194804 -0.3805197), wk = 0.0027473 k( 205) = ( 0.3742312 0.6257688 -0.3742312), wk = 0.0027473 k( 206) = ( 0.3679428 0.6320572 -0.3679428), wk = 0.0027473 k( 207) = ( 0.3616543 0.6383457 -0.3616543), wk = 0.0027473 k( 208) = ( 0.3553659 0.6446341 -0.3553659), wk = 0.0027473 k( 209) = ( 0.3490775 0.6509225 -0.3490775), wk = 0.0027473 k( 210) = ( 0.3427890 0.6572110 -0.3427890), wk = 0.0027473 k( 211) = ( 0.3365006 0.6634994 -0.3365006), wk = 0.0027473 k( 212) = ( 0.3302121 0.6697879 -0.3302121), wk = 0.0027473 k( 213) = ( 0.3239237 0.6760763 -0.3239237), wk = 0.0027473 k( 214) = ( 0.3176353 0.6823647 -0.3176353), wk = 0.0027473 k( 215) = ( 0.3113468 0.6886532 -0.3113468), wk = 0.0027473 k( 216) = ( 0.3050584 0.6949416 -0.3050584), wk = 0.0027473 k( 217) = ( 0.2987700 0.7012300 -0.2987700), wk = 0.0027473 k( 218) = ( 0.2924815 0.7075185 -0.2924815), wk = 0.0027473 k( 219) = ( 0.2924815 0.7075185 -0.2924815), wk = 0.0027473 k( 220) = ( 0.2762325 0.6959897 -0.2762325), wk = 0.0027473 k( 221) = ( 0.2599836 0.6844609 -0.2599836), wk = 0.0027473 k( 222) = ( 0.2437346 0.6729321 -0.2437346), wk = 0.0027473 k( 223) = ( 0.2274856 0.6614033 -0.2274856), wk = 0.0027473 k( 224) = ( 0.2112366 0.6498745 -0.2112366), wk = 0.0027473 k( 225) = ( 0.1949877 0.6383457 -0.1949877), wk = 0.0027473 k( 226) = ( 0.1787387 0.6268169 -0.1787387), wk = 0.0027473 k( 227) = ( 0.1624897 0.6152880 -0.1624897), wk = 0.0027473 k( 228) = ( 0.1462408 0.6037592 -0.1462408), wk = 0.0027473 k( 229) = ( 0.1299918 0.5922304 -0.1299918), wk = 0.0027473 k( 230) = ( 0.1137428 0.5807016 -0.1137428), wk = 0.0027473 k( 231) = ( 0.0974938 0.5691728 -0.0974938), wk = 0.0027473 k( 232) = ( 0.0812449 0.5576440 -0.0812449), wk = 0.0027473 k( 233) = ( 0.0649959 0.5461152 -0.0649959), wk = 0.0027473 k( 234) = ( 0.0487469 0.5345864 -0.0487469), wk = 0.0027473 k( 235) = ( 0.0324979 0.5230576 -0.0324979), wk = 0.0027473 k( 236) = ( 0.0162490 0.5115288 -0.0162490), wk = 0.0027473 k( 237) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027473 k( 238) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027473 k( 239) = ( 0.0062500 0.4937500 0.0062500), wk = 0.0027473 k( 240) = ( 0.0125000 0.4875000 0.0125000), wk = 0.0027473 k( 241) = ( 0.0187500 0.4812500 0.0187500), wk = 0.0027473 k( 242) = ( 0.0250000 0.4750000 0.0250000), wk = 0.0027473 k( 243) = ( 0.0312500 0.4687500 0.0312500), wk = 0.0027473 k( 244) = ( 0.0375000 0.4625000 0.0375000), wk = 0.0027473 k( 245) = ( 0.0437500 0.4562500 0.0437500), wk = 0.0027473 k( 246) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0027473 k( 247) = ( 0.0562500 0.4437500 0.0562500), wk = 0.0027473 k( 248) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0027473 k( 249) = ( 0.0687500 0.4312500 0.0687500), wk = 0.0027473 k( 250) = ( 0.0750000 0.4250000 0.0750000), wk = 0.0027473 k( 251) = ( 0.0812500 0.4187500 0.0812500), wk = 0.0027473 k( 252) = ( 0.0875000 0.4125000 0.0875000), wk = 0.0027473 k( 253) = ( 0.0937500 0.4062500 0.0937500), wk = 0.0027473 k( 254) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0027473 k( 255) = ( 0.1062500 0.3937500 0.1062500), wk = 0.0027473 k( 256) = ( 0.1125000 0.3875000 0.1125000), wk = 0.0027473 k( 257) = ( 0.1187500 0.3812500 0.1187500), wk = 0.0027473 k( 258) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0027473 k( 259) = ( 0.1312500 0.3687500 0.1312500), wk = 0.0027473 k( 260) = ( 0.1375000 0.3625000 0.1375000), wk = 0.0027473 k( 261) = ( 0.1437500 0.3562500 0.1437500), wk = 0.0027473 k( 262) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0027473 k( 263) = ( 0.1562500 0.3437500 0.1562500), wk = 0.0027473 k( 264) = ( 0.1625000 0.3375000 0.1625000), wk = 0.0027473 k( 265) = ( 0.1687500 0.3312500 0.1687500), wk = 0.0027473 k( 266) = ( 0.1750000 0.3250000 0.1750000), wk = 0.0027473 k( 267) = ( 0.1812500 0.3187500 0.1812500), wk = 0.0027473 k( 268) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0027473 k( 269) = ( 0.1937500 0.3062500 0.1937500), wk = 0.0027473 k( 270) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0027473 k( 271) = ( 0.2062500 0.2937500 0.2062500), wk = 0.0027473 k( 272) = ( 0.2125000 0.2875000 0.2125000), wk = 0.0027473 k( 273) = ( 0.2187500 0.2812500 0.2187500), wk = 0.0027473 k( 274) = ( 0.2250000 0.2750000 0.2250000), wk = 0.0027473 k( 275) = ( 0.2312500 0.2687500 0.2312500), wk = 0.0027473 k( 276) = ( 0.2375000 0.2625000 0.2375000), wk = 0.0027473 k( 277) = ( 0.2437500 0.2562500 0.2437500), wk = 0.0027473 k( 278) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027473 k( 279) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027473 k( 280) = ( 0.2631579 0.2631579 0.2323704), wk = 0.0027473 k( 281) = ( 0.2763158 0.2763158 0.2147407), wk = 0.0027473 k( 282) = ( 0.2894737 0.2894737 0.1971111), wk = 0.0027473 k( 283) = ( 0.3026316 0.3026316 0.1794815), wk = 0.0027473 k( 284) = ( 0.3157895 0.3157895 0.1618518), wk = 0.0027473 k( 285) = ( 0.3289474 0.3289474 0.1442222), wk = 0.0027473 k( 286) = ( 0.3421053 0.3421053 0.1265926), wk = 0.0027473 k( 287) = ( 0.3552632 0.3552632 0.1089629), wk = 0.0027473 k( 288) = ( 0.3684211 0.3684210 0.0913333), wk = 0.0027473 k( 289) = ( 0.3815789 0.3815789 0.0737037), wk = 0.0027473 k( 290) = ( 0.3947368 0.3947368 0.0560741), wk = 0.0027473 k( 291) = ( 0.4078947 0.4078947 0.0384444), wk = 0.0027473 k( 292) = ( 0.4210526 0.4210526 0.0208148), wk = 0.0027473 k( 293) = ( 0.4342105 0.4342105 0.0031852), wk = 0.0027473 k( 294) = ( 0.4473684 0.4473684 -0.0144445), wk = 0.0027473 k( 295) = ( 0.4605263 0.4605263 -0.0320741), wk = 0.0027473 k( 296) = ( 0.4736842 0.4736842 -0.0497037), wk = 0.0027473 k( 297) = ( 0.4868421 0.4868421 -0.0673334), wk = 0.0027473 k( 298) = ( 0.5000000 0.5000000 -0.0849630), wk = 0.0027473 k( 299) = ( 0.5000000 0.5000000 -0.0849630), wk = 0.0027473 k( 300) = ( 0.5000000 0.5000000 -0.0937936), wk = 0.0027473 k( 301) = ( 0.5000000 0.5000000 -0.1026242), wk = 0.0027473 k( 302) = ( 0.5000000 0.5000000 -0.1114547), wk = 0.0027473 k( 303) = ( 0.5000000 0.5000000 -0.1202853), wk = 0.0027473 k( 304) = ( 0.5000000 0.5000000 -0.1291159), wk = 0.0027473 k( 305) = ( 0.5000000 0.5000000 -0.1379465), wk = 0.0027473 k( 306) = ( 0.5000000 0.5000000 -0.1467770), wk = 0.0027473 k( 307) = ( 0.5000000 0.5000000 -0.1556076), wk = 0.0027473 k( 308) = ( 0.5000000 0.5000000 -0.1644382), wk = 0.0027473 k( 309) = ( 0.5000000 0.5000000 -0.1732687), wk = 0.0027473 k( 310) = ( 0.5000000 0.5000000 -0.1820993), wk = 0.0027473 k( 311) = ( 0.5000000 0.5000000 -0.1909299), wk = 0.0027473 k( 312) = ( 0.5000000 0.5000000 -0.1997605), wk = 0.0027473 k( 313) = ( 0.5000000 0.5000000 -0.2085911), wk = 0.0027473 k( 314) = ( 0.5000000 0.5000000 -0.2174216), wk = 0.0027473 k( 315) = ( 0.5000000 0.5000000 -0.2262522), wk = 0.0027473 k( 316) = ( 0.5000000 0.5000000 -0.2350828), wk = 0.0027473 k( 317) = ( 0.5000000 0.5000000 -0.2439134), wk = 0.0027473 k( 318) = ( 0.5000000 0.5000000 -0.2527439), wk = 0.0027473 k( 319) = ( 0.5000000 0.5000000 -0.2615745), wk = 0.0027473 k( 320) = ( 0.5000000 0.5000000 -0.2704051), wk = 0.0027473 k( 321) = ( 0.5000000 0.5000000 -0.2792356), wk = 0.0027473 k( 322) = ( 0.5000000 0.5000000 -0.2880662), wk = 0.0027473 k( 323) = ( 0.5000000 0.5000000 -0.2968968), wk = 0.0027473 k( 324) = ( 0.5000000 0.5000000 -0.3057274), wk = 0.0027473 k( 325) = ( 0.5000000 0.5000000 -0.3145579), wk = 0.0027473 k( 326) = ( 0.5000000 0.5000000 -0.3233885), wk = 0.0027473 k( 327) = ( 0.5000000 0.5000000 -0.3322191), wk = 0.0027473 k( 328) = ( 0.5000000 0.5000000 -0.3410497), wk = 0.0027473 k( 329) = ( 0.5000000 0.5000000 -0.3498802), wk = 0.0027473 k( 330) = ( 0.5000000 0.5000000 -0.3587108), wk = 0.0027473 k( 331) = ( 0.5000000 0.5000000 -0.3675414), wk = 0.0027473 k( 332) = ( 0.5000000 0.5000000 -0.3763720), wk = 0.0027473 k( 333) = ( 0.5000000 0.5000000 -0.3852025), wk = 0.0027473 k( 334) = ( 0.5000000 0.5000000 -0.3940331), wk = 0.0027473 k( 335) = ( 0.5000000 0.5000000 -0.4028637), wk = 0.0027473 k( 336) = ( 0.5000000 0.5000000 -0.4116943), wk = 0.0027473 k( 337) = ( 0.5000000 0.5000000 -0.4205248), wk = 0.0027473 k( 338) = ( 0.5000000 0.5000000 -0.4293554), wk = 0.0027473 k( 339) = ( 0.5000000 0.5000000 -0.4381860), wk = 0.0027473 k( 340) = ( 0.5000000 0.5000000 -0.4470166), wk = 0.0027473 k( 341) = ( 0.5000000 0.5000000 -0.4558471), wk = 0.0027473 k( 342) = ( 0.5000000 0.5000000 -0.4646777), wk = 0.0027473 k( 343) = ( 0.5000000 0.5000000 -0.4735083), wk = 0.0027473 k( 344) = ( 0.5000000 0.5000000 -0.4823388), wk = 0.0027473 k( 345) = ( 0.5000000 0.5000000 -0.4911694), wk = 0.0027473 k( 346) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0027473 k( 347) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027473 k( 348) = ( 0.0147059 0.0147059 0.4852941), wk = 0.0027473 k( 349) = ( 0.0294118 0.0294118 0.4705882), wk = 0.0027473 k( 350) = ( 0.0441177 0.0441176 0.4558823), wk = 0.0027473 k( 351) = ( 0.0588235 0.0588235 0.4411765), wk = 0.0027473 k( 352) = ( 0.0735294 0.0735294 0.4264706), wk = 0.0027473 k( 353) = ( 0.0882353 0.0882353 0.4117647), wk = 0.0027473 k( 354) = ( 0.1029412 0.1029412 0.3970588), wk = 0.0027473 k( 355) = ( 0.1176471 0.1176471 0.3823529), wk = 0.0027473 k( 356) = ( 0.1323529 0.1323529 0.3676471), wk = 0.0027473 k( 357) = ( 0.1470588 0.1470588 0.3529412), wk = 0.0027473 k( 358) = ( 0.1617647 0.1617647 0.3382353), wk = 0.0027473 k( 359) = ( 0.1764706 0.1764706 0.3235294), wk = 0.0027473 k( 360) = ( 0.1911765 0.1911765 0.3088235), wk = 0.0027473 k( 361) = ( 0.2058823 0.2058823 0.2941177), wk = 0.0027473 k( 362) = ( 0.2205882 0.2205882 0.2794118), wk = 0.0027473 k( 363) = ( 0.2352941 0.2352941 0.2647059), wk = 0.0027473 k( 364) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027473 Dense grid: 39741 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 21883 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.12 Mb ( 164, 46) NL pseudopotentials 0.21 Mb ( 82, 170) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1106) G-vector shells 0.00 Mb ( 498) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.46 Mb ( 164, 184) Each subspace H/S matrix 0.03 Mb ( 46, 46) Each matrix 0.24 Mb ( 170, 2, 46) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./CaxSiNix2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.0 secs Computing kpt #: 2 total cpu time spent up to now is 5.5 secs Computing kpt #: 3 total cpu time spent up to now is 6.0 secs Computing kpt #: 4 total cpu time spent up to now is 6.5 secs Computing kpt #: 5 total cpu time spent up to now is 7.1 secs Computing kpt #: 6 total cpu time spent up to now is 7.6 secs Computing kpt #: 7 total cpu time spent up to now is 8.1 secs Computing kpt #: 8 total cpu time spent up to now is 8.7 secs Computing kpt #: 9 total cpu time spent up to now is 9.3 secs Computing kpt #: 10 total cpu time spent up to now is 9.9 secs Computing kpt #: 11 total cpu time spent up to now is 10.7 secs Computing kpt #: 12 total cpu time spent up to now is 11.6 secs Computing kpt #: 13 total cpu time spent up to now is 12.2 secs Computing kpt #: 14 total cpu time spent up to now is 12.8 secs Computing kpt #: 15 total cpu time spent up to now is 13.4 secs Computing kpt #: 16 total cpu time spent up to now is 14.1 secs Computing kpt #: 17 total cpu time spent up to now is 15.0 secs Computing kpt #: 18 total cpu time spent up to now is 15.6 secs Computing kpt #: 19 total cpu time spent up to now is 16.3 secs Computing kpt #: 20 total cpu time spent up to now is 16.9 secs Computing kpt #: 21 total cpu time spent up to now is 17.6 secs Computing kpt #: 22 total cpu time spent up to now is 18.3 secs Computing kpt #: 23 total cpu time spent up to now is 19.0 secs Computing kpt #: 24 total cpu time spent up to now is 19.7 secs Computing kpt #: 25 total cpu time spent up to now is 20.4 secs Computing kpt #: 26 total cpu time spent up to now is 21.1 secs Computing kpt #: 27 total cpu time spent up to now is 21.9 secs Computing kpt #: 28 total cpu time spent up to now is 22.9 secs Computing kpt #: 29 total cpu time spent up to now is 23.7 secs Computing kpt #: 30 total cpu time spent up to now is 24.5 secs Computing kpt #: 31 total cpu time spent up to now is 25.3 secs Computing kpt #: 32 total cpu time spent up to now is 25.9 secs Computing kpt #: 33 total cpu time spent up to now is 26.5 secs Computing kpt #: 34 total cpu time spent up to now is 27.1 secs Computing kpt #: 35 total cpu time spent up to now is 27.8 secs Computing kpt #: 36 total cpu time spent up to now is 28.4 secs Computing kpt #: 37 total cpu time spent up to now is 29.0 secs Computing kpt #: 38 total cpu time spent up to now is 29.6 secs Computing kpt #: 39 total cpu time spent up to now is 30.1 secs Computing kpt #: 40 total cpu time spent up to now is 30.7 secs Computing kpt #: 41 total cpu time spent up to now is 31.3 secs Computing kpt #: 42 total cpu time spent up to now is 31.8 secs Computing kpt #: 43 total cpu time spent up to now is 32.4 secs Computing kpt #: 44 total cpu time spent up to now is 32.9 secs Computing kpt #: 45 total cpu time spent up to now is 33.5 secs Computing kpt #: 46 total cpu time spent up to now is 34.1 secs Computing kpt #: 47 total cpu time spent up to now is 34.6 secs Computing kpt #: 48 total cpu time spent up to now is 35.2 secs Computing kpt #: 49 total cpu time spent up to now is 35.8 secs Computing kpt #: 50 total cpu time spent up to now is 36.3 secs Computing kpt #: 51 total cpu time spent up to now is 36.9 secs Computing kpt #: 52 total cpu time spent up to now is 37.5 secs Computing kpt #: 53 total cpu time spent up to now is 38.1 secs Computing kpt #: 54 total cpu time spent up to now is 38.7 secs Computing kpt #: 55 total cpu time spent up to now is 39.4 secs Computing kpt #: 56 total cpu time spent up to now is 40.1 secs Computing kpt #: 57 total cpu time spent up to now is 40.8 secs Computing kpt #: 58 total cpu time spent up to now is 41.6 secs Computing kpt #: 59 total cpu time spent up to now is 42.3 secs Computing kpt #: 60 total cpu time spent up to now is 43.1 secs Computing kpt #: 61 total cpu time spent up to now is 43.8 secs Computing kpt #: 62 total cpu time spent up to now is 44.6 secs Computing kpt #: 63 total cpu time spent up to now is 45.3 secs Computing kpt #: 64 total cpu time spent up to now is 46.0 secs Computing kpt #: 65 total cpu time spent up to now is 46.8 secs Computing kpt #: 66 total cpu time spent up to now is 47.5 secs Computing kpt #: 67 total cpu time spent up to now is 48.2 secs Computing kpt #: 68 total cpu time spent up to now is 48.9 secs Computing kpt #: 69 total cpu time spent up to now is 49.6 secs Computing kpt #: 70 total cpu time spent up to now is 50.3 secs Computing kpt #: 71 total cpu time spent up to now is 50.9 secs Computing kpt #: 72 total cpu time spent up to now is 51.5 secs Computing kpt #: 73 total cpu time spent up to now is 52.1 secs Computing kpt #: 74 total cpu time spent up to now is 52.7 secs Computing kpt #: 75 total cpu time spent up to now is 53.3 secs Computing kpt #: 76 total cpu time spent up to now is 53.9 secs Computing kpt #: 77 total cpu time spent up to now is 54.6 secs Computing kpt #: 78 total cpu time spent up to now is 55.2 secs Computing kpt #: 79 total cpu time spent up to now is 55.8 secs Computing kpt #: 80 total cpu time spent up to now is 56.4 secs Computing kpt #: 81 total cpu time spent up to now is 56.9 secs Computing kpt #: 82 total cpu time spent up to now is 57.5 secs Computing kpt #: 83 total cpu time spent up to now is 58.1 secs Computing kpt #: 84 total cpu time spent up to now is 58.7 secs Computing kpt #: 85 total cpu time spent up to now is 59.3 secs Computing kpt #: 86 total cpu time spent up to now is 59.9 secs Computing kpt #: 87 total cpu time spent up to now is 60.5 secs Computing kpt #: 88 total cpu time spent up to now is 61.2 secs Computing kpt #: 89 total cpu time spent up to now is 61.8 secs Computing kpt #: 90 total cpu time spent up to now is 62.6 secs Computing kpt #: 91 total cpu time spent up to now is 63.3 secs Computing kpt #: 92 total cpu time spent up to now is 64.1 secs Computing kpt #: 93 total cpu time spent up to now is 64.9 secs Computing kpt #: 94 total cpu time spent up to now is 65.7 secs Computing kpt #: 95 total cpu time spent up to now is 66.6 secs Computing kpt #: 96 total cpu time spent up to now is 67.4 secs Computing kpt #: 97 total cpu time spent up to now is 68.3 secs Computing kpt #: 98 total cpu time spent up to now is 69.3 secs Computing kpt #: 99 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 70.7 secs Computing kpt #: 100 total cpu time spent up to now is 71.5 secs Computing kpt #: 101 total cpu time spent up to now is 72.4 secs Computing kpt #: 102 total cpu time spent up to now is 73.1 secs Computing kpt #: 103 total cpu time spent up to now is 73.8 secs Computing kpt #: 104 total cpu time spent up to now is 74.5 secs Computing kpt #: 105 total cpu time spent up to now is 75.2 secs Computing kpt #: 106 total cpu time spent up to now is 75.7 secs Computing kpt #: 107 total cpu time spent up to now is 76.3 secs Computing kpt #: 108 total cpu time spent up to now is 76.8 secs Computing kpt #: 109 total cpu time spent up to now is 77.3 secs Computing kpt #: 110 total cpu time spent up to now is 77.9 secs Computing kpt #: 111 total cpu time spent up to now is 78.5 secs Computing kpt #: 112 total cpu time spent up to now is 79.0 secs Computing kpt #: 113 total cpu time spent up to now is 79.6 secs Computing kpt #: 114 total cpu time spent up to now is 80.2 secs Computing kpt #: 115 total cpu time spent up to now is 80.7 secs Computing kpt #: 116 total cpu time spent up to now is 81.2 secs Computing kpt #: 117 total cpu time spent up to now is 81.8 secs Computing kpt #: 118 total cpu time spent up to now is 82.4 secs Computing kpt #: 119 total cpu time spent up to now is 83.0 secs Computing kpt #: 120 total cpu time spent up to now is 83.6 secs Computing kpt #: 121 total cpu time spent up to now is 84.2 secs Computing kpt #: 122 total cpu time spent up to now is 84.7 secs Computing kpt #: 123 total cpu time spent up to now is 85.2 secs Computing kpt #: 124 total cpu time spent up to now is 85.7 secs Computing kpt #: 125 total cpu time spent up to now is 86.3 secs Computing kpt #: 126 total cpu time spent up to now is 86.8 secs Computing kpt #: 127 total cpu time spent up to now is 87.3 secs Computing kpt #: 128 total cpu time spent up to now is 87.8 secs Computing kpt #: 129 total cpu time spent up to now is 88.4 secs Computing kpt #: 130 total cpu time spent up to now is 88.9 secs Computing kpt #: 131 total cpu time spent up to now is 89.4 secs Computing kpt #: 132 total cpu time spent up to now is 90.0 secs Computing kpt #: 133 total cpu time spent up to now is 90.6 secs Computing kpt #: 134 total cpu time spent up to now is 91.2 secs Computing kpt #: 135 total cpu time spent up to now is 91.7 secs Computing kpt #: 136 total cpu time spent up to now is 92.3 secs Computing kpt #: 137 total cpu time spent up to now is 93.2 secs Computing kpt #: 138 total cpu time spent up to now is 93.9 secs Computing kpt #: 139 total cpu time spent up to now is 94.4 secs Computing kpt #: 140 total cpu time spent up to now is 95.0 secs Computing kpt #: 141 total cpu time spent up to now is 95.6 secs Computing kpt #: 142 total cpu time spent up to now is 96.3 secs Computing kpt #: 143 total cpu time spent up to now is 96.9 secs Computing kpt #: 144 total cpu time spent up to now is 97.5 secs Computing kpt #: 145 total cpu time spent up to now is 98.1 secs Computing kpt #: 146 total cpu time spent up to now is 98.7 secs Computing kpt #: 147 total cpu time spent up to now is 99.2 secs Computing kpt #: 148 total cpu time spent up to now is 99.7 secs Computing kpt #: 149 total cpu time spent up to now is 100.3 secs Computing kpt #: 150 total cpu time spent up to now is 100.8 secs Computing kpt #: 151 total cpu time spent up to now is 101.4 secs Computing kpt #: 152 total cpu time spent up to now is 101.9 secs Computing kpt #: 153 total cpu time spent up to now is 102.5 secs Computing kpt #: 154 total cpu time spent up to now is 103.1 secs Computing kpt #: 155 total cpu time spent up to now is 103.6 secs Computing kpt #: 156 total cpu time spent up to now is 104.1 secs Computing kpt #: 157 total cpu time spent up to now is 104.7 secs Computing kpt #: 158 total cpu time spent up to now is 105.3 secs Computing kpt #: 159 total cpu time spent up to now is 106.0 secs Computing kpt #: 160 total cpu time spent up to now is 106.8 secs Computing kpt #: 161 total cpu time spent up to now is 107.5 secs Computing kpt #: 162 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 109.0 secs Computing kpt #: 163 total cpu time spent up to now is 109.5 secs Computing kpt #: 164 total cpu time spent up to now is 110.0 secs Computing kpt #: 165 total cpu time spent up to now is 110.6 secs Computing kpt #: 166 total cpu time spent up to now is 111.1 secs Computing kpt #: 167 total cpu time spent up to now is 111.6 secs Computing kpt #: 168 total cpu time spent up to now is 112.1 secs Computing kpt #: 169 total cpu time spent up to now is 112.7 secs Computing kpt #: 170 total cpu time spent up to now is 113.2 secs Computing kpt #: 171 total cpu time spent up to now is 113.7 secs Computing kpt #: 172 total cpu time spent up to now is 114.2 secs Computing kpt #: 173 total cpu time spent up to now is 114.8 secs Computing kpt #: 174 total cpu time spent up to now is 115.3 secs Computing kpt #: 175 total cpu time spent up to now is 115.8 secs Computing kpt #: 176 total cpu time spent up to now is 116.3 secs Computing kpt #: 177 total cpu time spent up to now is 116.9 secs Computing kpt #: 178 total cpu time spent up to now is 117.5 secs Computing kpt #: 179 total cpu time spent up to now is 118.1 secs Computing kpt #: 180 total cpu time spent up to now is 118.7 secs Computing kpt #: 181 total cpu time spent up to now is 119.3 secs Computing kpt #: 182 total cpu time spent up to now is 119.9 secs Computing kpt #: 183 total cpu time spent up to now is 120.6 secs Computing kpt #: 184 total cpu time spent up to now is 121.3 secs Computing kpt #: 185 total cpu time spent up to now is 122.1 secs Computing kpt #: 186 total cpu time spent up to now is 122.8 secs Computing kpt #: 187 total cpu time spent up to now is 123.5 secs Computing kpt #: 188 total cpu time spent up to now is 124.1 secs Computing kpt #: 189 total cpu time spent up to now is 124.7 secs Computing kpt #: 190 total cpu time spent up to now is 125.2 secs Computing kpt #: 191 total cpu time spent up to now is 125.8 secs Computing kpt #: 192 total cpu time spent up to now is 126.5 secs Computing kpt #: 193 total cpu time spent up to now is 127.2 secs Computing kpt #: 194 total cpu time spent up to now is 127.9 secs Computing kpt #: 195 total cpu time spent up to now is 128.7 secs Computing kpt #: 196 total cpu time spent up to now is 129.6 secs Computing kpt #: 197 total cpu time spent up to now is 130.4 secs Computing kpt #: 198 total cpu time spent up to now is 131.4 secs Computing kpt #: 199 total cpu time spent up to now is 132.4 secs Computing kpt #: 200 total cpu time spent up to now is 133.4 secs Computing kpt #: 201 total cpu time spent up to now is 134.4 secs Computing kpt #: 202 total cpu time spent up to now is 135.3 secs Computing kpt #: 203 total cpu time spent up to now is 136.2 secs Computing kpt #: 204 total cpu time spent up to now is 137.3 secs Computing kpt #: 205 total cpu time spent up to now is 138.2 secs Computing kpt #: 206 total cpu time spent up to now is 139.1 secs Computing kpt #: 207 total cpu time spent up to now is 139.9 secs Computing kpt #: 208 total cpu time spent up to now is 140.8 secs Computing kpt #: 209 total cpu time spent up to now is 141.7 secs Computing kpt #: 210 total cpu time spent up to now is 142.7 secs Computing kpt #: 211 total cpu time spent up to now is 143.6 secs Computing kpt #: 212 total cpu time spent up to now is 144.6 secs Computing kpt #: 213 total cpu time spent up to now is 145.6 secs Computing kpt #: 214 total cpu time spent up to now is 147.1 secs Computing kpt #: 215 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 148.6 secs Computing kpt #: 216 total cpu time spent up to now is 149.4 secs Computing kpt #: 217 total cpu time spent up to now is 150.2 secs Computing kpt #: 218 total cpu time spent up to now is 150.9 secs Computing kpt #: 219 total cpu time spent up to now is 151.7 secs Computing kpt #: 220 total cpu time spent up to now is 152.5 secs Computing kpt #: 221 total cpu time spent up to now is 153.3 secs Computing kpt #: 222 total cpu time spent up to now is 154.0 secs Computing kpt #: 223 total cpu time spent up to now is 154.7 secs Computing kpt #: 224 total cpu time spent up to now is 155.5 secs Computing kpt #: 225 total cpu time spent up to now is 156.3 secs Computing kpt #: 226 total cpu time spent up to now is 157.3 secs Computing kpt #: 227 total cpu time spent up to now is 158.6 secs Computing kpt #: 228 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 160.1 secs Computing kpt #: 229 total cpu time spent up to now is 161.1 secs Computing kpt #: 230 total cpu time spent up to now is 162.0 secs Computing kpt #: 231 total cpu time spent up to now is 163.0 secs Computing kpt #: 232 total cpu time spent up to now is 163.9 secs Computing kpt #: 233 total cpu time spent up to now is 164.8 secs Computing kpt #: 234 total cpu time spent up to now is 165.7 secs Computing kpt #: 235 total cpu time spent up to now is 166.5 secs Computing kpt #: 236 total cpu time spent up to now is 167.1 secs Computing kpt #: 237 total cpu time spent up to now is 168.0 secs Computing kpt #: 238 total cpu time spent up to now is 168.9 secs Computing kpt #: 239 total cpu time spent up to now is 169.7 secs Computing kpt #: 240 total cpu time spent up to now is 170.4 secs Computing kpt #: 241 total cpu time spent up to now is 171.2 secs Computing kpt #: 242 total cpu time spent up to now is 172.0 secs Computing kpt #: 243 total cpu time spent up to now is 172.7 secs Computing kpt #: 244 total cpu time spent up to now is 173.4 secs Computing kpt #: 245 total cpu time spent up to now is 174.1 secs Computing kpt #: 246 total cpu time spent up to now is 174.8 secs Computing kpt #: 247 total cpu time spent up to now is 175.5 secs Computing kpt #: 248 total cpu time spent up to now is 176.2 secs Computing kpt #: 249 total cpu time spent up to now is 176.8 secs Computing kpt #: 250 total cpu time spent up to now is 177.4 secs Computing kpt #: 251 total cpu time spent up to now is 178.0 secs Computing kpt #: 252 total cpu time spent up to now is 178.7 secs Computing kpt #: 253 total cpu time spent up to now is 179.3 secs Computing kpt #: 254 total cpu time spent up to now is 180.1 secs Computing kpt #: 255 total cpu time spent up to now is 180.8 secs Computing kpt #: 256 total cpu time spent up to now is 181.6 secs Computing kpt #: 257 total cpu time spent up to now is 182.3 secs Computing kpt #: 258 total cpu time spent up to now is 183.1 secs Computing kpt #: 259 total cpu time spent up to now is 183.8 secs Computing kpt #: 260 total cpu time spent up to now is 184.5 secs Computing kpt #: 261 total cpu time spent up to now is 185.1 secs Computing kpt #: 262 total cpu time spent up to now is 185.8 secs Computing kpt #: 263 total cpu time spent up to now is 186.4 secs Computing kpt #: 264 total cpu time spent up to now is 187.0 secs Computing kpt #: 265 total cpu time spent up to now is 187.6 secs Computing kpt #: 266 total cpu time spent up to now is 188.2 secs Computing kpt #: 267 total cpu time spent up to now is 188.8 secs Computing kpt #: 268 total cpu time spent up to now is 189.4 secs Computing kpt #: 269 total cpu time spent up to now is 190.0 secs Computing kpt #: 270 total cpu time spent up to now is 190.6 secs Computing kpt #: 271 total cpu time spent up to now is 191.2 secs Computing kpt #: 272 total cpu time spent up to now is 191.8 secs Computing kpt #: 273 total cpu time spent up to now is 192.5 secs Computing kpt #: 274 total cpu time spent up to now is 193.3 secs Computing kpt #: 275 total cpu time spent up to now is 194.0 secs Computing kpt #: 276 total cpu time spent up to now is 195.0 secs Computing kpt #: 277 total cpu time spent up to now is 195.9 secs Computing kpt #: 278 total cpu time spent up to now is 196.9 secs Computing kpt #: 279 total cpu time spent up to now is 198.1 secs Computing kpt #: 280 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 199.5 secs Computing kpt #: 281 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 200.9 secs Computing kpt #: 282 total cpu time spent up to now is 202.0 secs Computing kpt #: 283 total cpu time spent up to now is 203.2 secs Computing kpt #: 284 total cpu time spent up to now is 204.1 secs Computing kpt #: 285 total cpu time spent up to now is 205.0 secs Computing kpt #: 286 total cpu time spent up to now is 205.7 secs Computing kpt #: 287 total cpu time spent up to now is 206.7 secs Computing kpt #: 288 total cpu time spent up to now is 207.5 secs Computing kpt #: 289 total cpu time spent up to now is 208.1 secs Computing kpt #: 290 total cpu time spent up to now is 208.8 secs Computing kpt #: 291 total cpu time spent up to now is 209.4 secs Computing kpt #: 292 total cpu time spent up to now is 210.1 secs Computing kpt #: 293 total cpu time spent up to now is 210.7 secs Computing kpt #: 294 total cpu time spent up to now is 211.4 secs Computing kpt #: 295 total cpu time spent up to now is 212.1 secs Computing kpt #: 296 total cpu time spent up to now is 212.8 secs Computing kpt #: 297 total cpu time spent up to now is 213.5 secs Computing kpt #: 298 total cpu time spent up to now is 214.3 secs Computing kpt #: 299 total cpu time spent up to now is 215.0 secs Computing kpt #: 300 total cpu time spent up to now is 215.6 secs Computing kpt #: 301 total cpu time spent up to now is 216.4 secs Computing kpt #: 302 total cpu time spent up to now is 217.1 secs Computing kpt #: 303 total cpu time spent up to now is 217.8 secs Computing kpt #: 304 total cpu time spent up to now is 218.5 secs Computing kpt #: 305 total cpu time spent up to now is 219.2 secs Computing kpt #: 306 total cpu time spent up to now is 219.8 secs Computing kpt #: 307 total cpu time spent up to now is 220.4 secs Computing kpt #: 308 total cpu time spent up to now is 221.1 secs Computing kpt #: 309 total cpu time spent up to now is 221.9 secs Computing kpt #: 310 total cpu time spent up to now is 222.6 secs Computing kpt #: 311 total cpu time spent up to now is 223.3 secs Computing kpt #: 312 total cpu time spent up to now is 224.0 secs Computing kpt #: 313 total cpu time spent up to now is 224.6 secs Computing kpt #: 314 total cpu time spent up to now is 225.2 secs Computing kpt #: 315 total cpu time spent up to now is 225.8 secs Computing kpt #: 316 total cpu time spent up to now is 226.4 secs Computing kpt #: 317 total cpu time spent up to now is 227.0 secs Computing kpt #: 318 total cpu time spent up to now is 227.6 secs Computing kpt #: 319 total cpu time spent up to now is 228.3 secs Computing kpt #: 320 total cpu time spent up to now is 229.0 secs Computing kpt #: 321 total cpu time spent up to now is 229.6 secs Computing kpt #: 322 total cpu time spent up to now is 230.3 secs Computing kpt #: 323 total cpu time spent up to now is 231.0 secs Computing kpt #: 324 total cpu time spent up to now is 231.8 secs Computing kpt #: 325 total cpu time spent up to now is 232.5 secs Computing kpt #: 326 total cpu time spent up to now is 233.3 secs Computing kpt #: 327 total cpu time spent up to now is 233.9 secs Computing kpt #: 328 total cpu time spent up to now is 234.5 secs Computing kpt #: 329 total cpu time spent up to now is 235.2 secs Computing kpt #: 330 total cpu time spent up to now is 235.9 secs Computing kpt #: 331 total cpu time spent up to now is 236.5 secs Computing kpt #: 332 total cpu time spent up to now is 237.1 secs Computing kpt #: 333 total cpu time spent up to now is 237.8 secs Computing kpt #: 334 total cpu time spent up to now is 238.4 secs Computing kpt #: 335 total cpu time spent up to now is 239.1 secs Computing kpt #: 336 total cpu time spent up to now is 239.8 secs Computing kpt #: 337 total cpu time spent up to now is 240.4 secs Computing kpt #: 338 total cpu time spent up to now is 241.1 secs Computing kpt #: 339 total cpu time spent up to now is 241.7 secs Computing kpt #: 340 total cpu time spent up to now is 242.3 secs Computing kpt #: 341 total cpu time spent up to now is 242.9 secs Computing kpt #: 342 total cpu time spent up to now is 243.5 secs Computing kpt #: 343 total cpu time spent up to now is 244.1 secs Computing kpt #: 344 total cpu time spent up to now is 244.8 secs Computing kpt #: 345 total cpu time spent up to now is 245.5 secs Computing kpt #: 346 total cpu time spent up to now is 246.3 secs Computing kpt #: 347 total cpu time spent up to now is 247.1 secs Computing kpt #: 348 total cpu time spent up to now is 247.8 secs Computing kpt #: 349 total cpu time spent up to now is 248.4 secs Computing kpt #: 350 total cpu time spent up to now is 249.2 secs Computing kpt #: 351 total cpu time spent up to now is 250.0 secs Computing kpt #: 352 total cpu time spent up to now is 250.7 secs Computing kpt #: 353 total cpu time spent up to now is 251.4 secs Computing kpt #: 354 total cpu time spent up to now is 252.2 secs Computing kpt #: 355 total cpu time spent up to now is 252.9 secs Computing kpt #: 356 total cpu time spent up to now is 253.7 secs Computing kpt #: 357 total cpu time spent up to now is 254.5 secs Computing kpt #: 358 total cpu time spent up to now is 255.4 secs Computing kpt #: 359 total cpu time spent up to now is 256.3 secs Computing kpt #: 360 total cpu time spent up to now is 257.3 secs Computing kpt #: 361 total cpu time spent up to now is 258.2 secs Computing kpt #: 362 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 259.6 secs Computing kpt #: 363 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 261.0 secs Computing kpt #: 364 total cpu time spent up to now is 262.0 secs ethr = 2.63E-08, avg # of iterations = 35.3 total cpu time spent up to now is 262.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2735 PWs) bands (ev): -29.7482 -29.7482 -11.0565 -11.0565 -10.6846 -10.6846 -10.6806 -10.6806 -0.3591 -0.3591 3.8413 3.8413 5.1271 5.1271 7.0622 7.0622 7.1095 7.1095 7.3775 7.3775 7.7582 7.7582 8.1507 8.1507 8.2013 8.2013 8.6685 8.6685 8.9295 8.9295 8.9725 8.9725 9.5034 9.5034 9.5394 9.5394 9.5418 9.5418 11.2320 11.2320 12.3232 12.3232 12.3304 12.3304 14.0029 14.0029 k = 0.0000 0.0000 0.0177 ( 2727 PWs) bands (ev): -29.7482 -29.7482 -11.0565 -11.0565 -10.6847 -10.6847 -10.6805 -10.6805 -0.3577 -0.3577 3.8410 3.8410 5.1281 5.1281 7.0616 7.0616 7.1087 7.1087 7.3785 7.3785 7.7574 7.7574 8.1507 8.1507 8.2012 8.2012 8.6681 8.6681 8.9288 8.9288 8.9723 8.9723 9.4695 9.4695 9.5404 9.5404 9.5715 9.5715 11.2248 11.2248 12.3197 12.3197 12.3355 12.3355 14.0097 14.0097 k = 0.0000 0.0000 0.0355 ( 2731 PWs) bands (ev): -29.7482 -29.7482 -11.0566 -11.0566 -10.6849 -10.6849 -10.6806 -10.6806 -0.3536 -0.3536 3.8402 3.8402 5.1313 5.1313 7.0590 7.0590 7.1063 7.1063 7.3814 7.3814 7.7550 7.7550 8.1496 8.1496 8.2017 8.2017 8.6666 8.6666 8.9268 8.9268 8.9716 8.9716 9.4207 9.4207 9.5375 9.5375 9.6138 9.6138 11.2037 11.2037 12.2972 12.2972 12.3624 12.3624 14.0302 14.0302 k = 0.0000 0.0000 0.0532 ( 2735 PWs) bands (ev): -29.7481 -29.7481 -11.0568 -11.0568 -10.6852 -10.6852 -10.6807 -10.6807 -0.3468 -0.3468 3.8389 3.8389 5.1366 5.1366 7.0538 7.0538 7.1035 7.1035 7.3860 7.3860 7.7511 7.7511 8.1448 8.1448 8.2052 8.2052 8.6642 8.6642 8.9235 8.9235 8.9703 8.9703 9.3698 9.3698 9.5326 9.5326 9.6544 9.6544 11.1707 11.1707 12.2604 12.2604 12.4060 12.4060 14.0640 14.0640 k = 0.0000 0.0000 0.0709 ( 2739 PWs) bands (ev): -29.7481 -29.7481 -11.0571 -11.0571 -10.6857 -10.6857 -10.6808 -10.6808 -0.3371 -0.3371 3.8371 3.8371 5.1439 5.1439 7.0452 7.0452 7.1014 7.1014 7.3922 7.3922 7.7460 7.7460 8.1341 8.1341 8.2134 8.2134 8.6607 8.6607 8.9188 8.9188 8.9685 8.9685 9.3184 9.3184 9.5257 9.5257 9.6922 9.6922 11.1282 11.1282 12.2113 12.2113 12.4634 12.4634 14.1109 14.1109 k = 0.0000 0.0000 0.0886 ( 2733 PWs) bands (ev): -29.7480 -29.7480 -11.0574 -11.0574 -10.6863 -10.6863 -10.6809 -10.6809 -0.3248 -0.3248 3.8348 3.8348 5.1533 5.1533 7.0327 7.0327 7.1007 7.1007 7.3996 7.3996 7.7401 7.7401 8.1169 8.1169 8.2261 8.2261 8.6567 8.6567 8.9126 8.9126 8.9660 8.9660 9.2676 9.2676 9.5169 9.5169 9.7271 9.7271 11.0786 11.0786 12.1523 12.1523 12.5321 12.5321 14.1704 14.1704 k = 0.0000 0.0000 0.1064 ( 2735 PWs) bands (ev): -29.7479 -29.7479 -11.0579 -11.0579 -10.6871 -10.6871 -10.6810 -10.6810 -0.3098 -0.3098 3.8321 3.8321 5.1646 5.1646 7.0165 7.0165 7.1013 7.1013 7.4081 7.4081 7.7336 7.7336 8.0932 8.0932 8.2427 8.2427 8.6520 8.6520 8.9051 8.9051 8.9627 8.9627 9.2180 9.2180 9.5062 9.5062 9.7588 9.7588 11.0240 11.0240 12.0855 12.0855 12.6099 12.6099 14.2420 14.2420 k = 0.0000 0.0000 0.1241 ( 2731 PWs) bands (ev): -29.7478 -29.7478 -11.0584 -11.0584 -10.6879 -10.6879 -10.6812 -10.6812 -0.2921 -0.2921 3.8290 3.8290 5.1777 5.1777 6.9971 6.9971 7.1033 7.1033 7.4173 7.4173 7.7268 7.7268 8.0632 8.0632 8.2623 8.2623 8.6468 8.6468 8.8964 8.8964 8.9586 8.9586 9.1708 9.1708 9.4937 9.4937 9.7876 9.7876 10.9660 10.9660 12.0130 12.0130 12.6952 12.6952 14.3249 14.3249 k = 0.0000 0.0000 0.1418 ( 2735 PWs) bands (ev): -29.7477 -29.7477 -11.0590 -11.0590 -10.6890 -10.6890 -10.6814 -10.6814 -0.2718 -0.2718 3.8254 3.8254 5.1927 5.1927 6.9750 6.9750 7.1062 7.1062 7.4271 7.4271 7.7198 7.7198 8.0270 8.0270 8.2844 8.2844 8.6412 8.6412 8.8862 8.8862 8.9532 8.9532 9.1268 9.1268 9.4793 9.4793 9.8134 9.8134 10.9059 10.9059 11.9365 11.9365 12.7866 12.7866 14.4185 14.4185 k = 0.0000 0.0000 0.1596 ( 2747 PWs) bands (ev): -29.7476 -29.7476 -11.0597 -11.0597 -10.6901 -10.6901 -10.6816 -10.6816 -0.2489 -0.2489 3.8214 3.8214 5.2093 5.2093 6.9507 6.9507 7.1098 7.1098 7.4374 7.4374 7.7129 7.7129 7.9844 7.9844 8.3083 8.3083 8.6353 8.6353 8.8745 8.8745 8.9464 8.9464 9.0869 9.0869 9.4631 9.4631 9.8365 9.8365 10.8445 10.8445 11.8577 11.8577 12.8830 12.8830 14.5220 14.5220 k = 0.0000 0.0000 0.1773 ( 2747 PWs) bands (ev): -29.7475 -29.7475 -11.0604 -11.0604 -10.6914 -10.6914 -10.6819 -10.6819 -0.2234 -0.2234 3.8171 3.8171 5.2274 5.2274 6.9246 6.9246 7.1143 7.1143 7.4481 7.4481 7.7063 7.7063 7.9356 7.9356 8.3339 8.3339 8.6293 8.6293 8.8615 8.8615 8.9377 8.9377 9.0519 9.0519 9.4453 9.4453 9.8571 9.8571 10.7827 10.7827 11.7779 11.7779 12.9836 12.9836 14.6345 14.6345 k = 0.0000 0.0000 0.1950 ( 2741 PWs) bands (ev): -29.7474 -29.7474 -11.0611 -11.0611 -10.6928 -10.6928 -10.6821 -10.6821 -0.1954 -0.1954 3.8125 3.8125 5.2469 5.2469 6.8970 6.8970 7.1194 7.1194 7.4591 7.4591 7.7000 7.7000 7.8810 7.8810 8.3610 8.3610 8.6233 8.6233 8.8472 8.8472 8.9268 8.9268 9.0223 9.0223 9.4259 9.4259 9.8753 9.8753 10.7208 10.7208 11.6983 11.6983 13.0879 13.0879 14.7220 14.7221 k = 0.0000 0.0000 0.2127 ( 2733 PWs) bands (ev): -29.7472 -29.7472 -11.0620 -11.0620 -10.6942 -10.6942 -10.6823 -10.6823 -0.1649 -0.1649 3.8076 3.8076 5.2675 5.2675 6.8682 6.8682 7.1251 7.1251 7.4703 7.4703 7.6941 7.6941 7.8210 7.8210 8.3891 8.3891 8.6174 8.6174 8.8316 8.8316 8.9135 8.9135 8.9982 8.9982 9.4050 9.4050 9.8914 9.8914 10.6593 10.6593 11.6197 11.6197 13.1952 13.1952 14.7117 14.7117 k = 0.0000 0.0000 0.2305 ( 2737 PWs) bands (ev): -29.7470 -29.7470 -11.0629 -11.0629 -10.6958 -10.6958 -10.6825 -10.6825 -0.1321 -0.1321 3.8025 3.8025 5.2890 5.2890 6.8384 6.8384 7.1313 7.1313 7.4815 7.4815 7.6883 7.6883 7.7566 7.7566 8.4181 8.4181 8.6116 8.6116 8.8149 8.8149 8.8982 8.8982 8.9787 8.9787 9.3826 9.3826 9.9055 9.9055 10.5984 10.5984 11.5428 11.5428 13.3051 13.3051 14.7036 14.7036 k = 0.0000 0.0000 0.2482 ( 2737 PWs) bands (ev): -29.7468 -29.7468 -11.0639 -11.0639 -10.6975 -10.6975 -10.6828 -10.6828 -0.0969 -0.0969 3.7972 3.7972 5.3113 5.3113 6.8081 6.8081 7.1380 7.1380 7.4923 7.4923 7.6761 7.6761 7.6954 7.6954 8.4478 8.4478 8.6060 8.6060 8.7973 8.7973 8.8818 8.8818 8.9625 8.9625 9.3587 9.3587 9.9178 9.9178 10.5383 10.5383 11.4683 11.4683 13.4172 13.4172 14.6981 14.6981 k = 0.0000 0.0000 0.2659 ( 2735 PWs) bands (ev): -29.7467 -29.7467 -11.0649 -11.0649 -10.6992 -10.6992 -10.6830 -10.6830 -0.0594 -0.0594 3.7918 3.7918 5.3338 5.3338 6.7776 6.7776 7.1452 7.1452 7.5016 7.5016 7.6137 7.6137 7.6828 7.6828 8.4778 8.4778 8.6007 8.6007 8.7794 8.7794 8.8652 8.8652 8.9482 8.9482 9.3336 9.3336 9.9285 9.9285 10.4791 10.4791 11.3966 11.3966 13.5311 13.5311 14.6956 14.6956 k = 0.0000 0.0000 0.2837 ( 2739 PWs) bands (ev): -29.7465 -29.7465 -11.0660 -11.0660 -10.7011 -10.7011 -10.6833 -10.6833 -0.0197 -0.0197 3.7862 3.7862 5.3564 5.3564 6.7474 6.7474 7.1528 7.1528 7.4995 7.4995 7.5515 7.5515 7.6790 7.6790 8.5077 8.5077 8.5957 8.5957 8.7614 8.7614 8.8489 8.8489 8.9347 8.9347 9.3073 9.3073 9.9377 9.9377 10.4210 10.4210 11.3281 11.3281 13.6465 13.6465 14.6962 14.6962 k = 0.0000 0.0000 0.3014 ( 2751 PWs) bands (ev): -29.7463 -29.7463 -11.0671 -11.0671 -10.7031 -10.7031 -10.6836 -10.6836 0.0222 0.0222 3.7806 3.7806 5.3786 5.3786 6.7181 6.7181 7.1607 7.1607 7.4450 7.4450 7.5389 7.5389 7.6764 7.6764 8.5363 8.5363 8.5919 8.5919 8.7437 8.7437 8.8330 8.8330 8.9213 8.9213 9.2800 9.2800 9.9456 9.9456 10.3640 10.3640 11.2629 11.2629 13.7631 13.7631 14.7001 14.7001 k = 0.0000 0.0000 0.3191 ( 2749 PWs) bands (ev): -29.7461 -29.7461 -11.0683 -11.0683 -10.7050 -10.7050 -10.6838 -10.6838 0.0660 0.0660 3.7750 3.7750 5.3999 5.3999 6.6900 6.6900 7.1691 7.1691 7.3678 7.3678 7.5472 7.5472 7.6746 7.6746 8.5588 8.5588 8.5939 8.5939 8.7264 8.7264 8.8178 8.8178 8.9076 8.9076 9.2518 9.2518 9.9525 9.9525 10.3081 10.3081 11.2013 11.2013 13.8804 13.8804 14.7075 14.7075 k = 0.0000 0.0000 0.3368 ( 2741 PWs) bands (ev): -29.7458 -29.7458 -11.0694 -11.0694 -10.7070 -10.7070 -10.6841 -10.6841 0.1118 0.1118 3.7694 3.7694 5.4199 5.4199 6.6640 6.6640 7.1777 7.1777 7.2868 7.2868 7.5579 7.5579 7.6737 7.6737 8.5645 8.5645 8.6118 8.6118 8.7099 8.7099 8.8034 8.8034 8.8936 8.8936 9.2231 9.2231 9.9584 9.9584 10.2533 10.2533 11.1434 11.1434 13.9982 13.9982 14.7184 14.7184 k = 0.0000 0.0000 0.3546 ( 2745 PWs) bands (ev): -29.7456 -29.7456 -11.0707 -11.0707 -10.7091 -10.7091 -10.6843 -10.6843 0.1595 0.1595 3.7638 3.7638 5.4379 5.4379 6.6405 6.6405 7.1853 7.1853 7.2058 7.2058 7.5691 7.5691 7.6734 7.6734 8.5600 8.5600 8.6384 8.6384 8.6941 8.6941 8.7897 8.7897 8.8791 8.8791 9.1939 9.1939 9.9632 9.9632 10.1997 10.1997 11.0890 11.0890 14.1161 14.1161 14.7328 14.7328 k = 0.0000 0.0000 0.3723 ( 2745 PWs) bands (ev): -29.7454 -29.7454 -11.0720 -11.0720 -10.7112 -10.7112 -10.6846 -10.6846 0.2089 0.2089 3.7583 3.7583 5.4535 5.4535 6.6202 6.6202 7.1203 7.1203 7.1970 7.1970 7.5803 7.5803 7.6740 7.6740 8.5525 8.5525 8.6656 8.6656 8.6791 8.6791 8.7774 8.7774 8.8642 8.8642 9.1648 9.1648 9.9673 9.9673 10.1473 10.1473 11.0382 11.0382 14.2336 14.2336 14.7506 14.7506 k = 0.0000 0.0000 0.3900 ( 2749 PWs) bands (ev): -29.7451 -29.7451 -11.0733 -11.0733 -10.7133 -10.7133 -10.6849 -10.6849 0.2600 0.2600 3.7530 3.7530 5.4660 5.4660 6.6039 6.6039 7.0373 7.0373 7.2064 7.2064 7.5912 7.5912 7.6753 7.6753 8.5433 8.5433 8.6649 8.6649 8.6903 8.6903 8.7673 8.7673 8.8491 8.8491 9.1362 9.1362 9.9706 9.9706 10.0960 10.0960 10.9907 10.9907 14.3502 14.3502 14.7718 14.7718 k = 0.0000 0.0000 0.4077 ( 2745 PWs) bands (ev): -29.7449 -29.7449 -11.0745 -11.0745 -10.7155 -10.7155 -10.6851 -10.6851 0.3125 0.3125 3.7478 3.7478 5.4749 5.4749 6.5921 6.5921 6.9544 6.9544 7.2162 7.2162 7.6019 7.6019 7.6774 7.6774 8.5328 8.5328 8.6515 8.6515 8.7076 8.7076 8.7630 8.7630 8.8342 8.8342 9.1090 9.1090 9.9732 9.9732 10.0458 10.0458 10.9464 10.9464 14.4657 14.4657 14.7959 14.7959 k = 0.0000 0.0000 0.4255 ( 2741 PWs) bands (ev): -29.7446 -29.7446 -11.0759 -11.0759 -10.7177 -10.7177 -10.6853 -10.6853 0.3665 0.3665 3.7428 3.7428 5.4799 5.4799 6.5854 6.5854 6.8721 6.8721 7.2262 7.2262 7.6121 7.6121 7.6802 7.6802 8.5211 8.5211 8.6387 8.6387 8.7109 8.7109 8.7695 8.7695 8.8198 8.8198 9.0844 9.0844 9.9749 9.9749 9.9971 9.9971 10.9050 10.9050 14.5794 14.5794 14.8228 14.8228 k = 0.0000 0.0000 0.4432 ( 2741 PWs) bands (ev): -29.7444 -29.7444 -11.0772 -11.0772 -10.7198 -10.7198 -10.6856 -10.6856 0.4217 0.4217 3.7380 3.7380 5.4806 5.4806 6.5841 6.5841 6.7909 6.7909 7.2364 7.2364 7.6217 7.6217 7.6838 7.6838 8.5085 8.5085 8.6264 8.6264 8.7029 8.7029 8.7820 8.7820 8.8063 8.8063 9.0641 9.0641 9.9478 9.9478 9.9778 9.9778 10.8661 10.8661 14.6908 14.6908 14.8517 14.8517 k = 0.0000 0.0000 0.4609 ( 2745 PWs) bands (ev): -29.7441 -29.7441 -11.0786 -11.0786 -10.7220 -10.7220 -10.6858 -10.6858 0.4780 0.4780 3.7334 3.7334 5.4769 5.4769 6.5882 6.5882 6.7109 6.7109 7.2467 7.2467 7.6307 7.6307 7.6880 7.6880 8.4950 8.4950 8.6146 8.6146 8.6897 8.6897 8.7914 8.7914 8.7943 8.7943 9.0505 9.0505 9.9009 9.9009 9.9787 9.9787 10.8294 10.8294 14.7994 14.7994 14.8818 14.8818 k = 0.0000 0.0000 0.4787 ( 2741 PWs) bands (ev): -29.7439 -29.7439 -11.0799 -11.0799 -10.7242 -10.7242 -10.6860 -10.6860 0.5353 0.5353 3.7291 3.7291 5.4691 5.4691 6.5964 6.5964 6.6338 6.6338 7.2572 7.2572 7.6391 7.6391 7.6929 7.6929 8.4809 8.4809 8.6031 8.6031 8.6739 8.6739 8.7839 8.7839 8.7930 8.7930 9.0463 9.0463 9.8548 9.8548 9.9795 9.9795 10.7943 10.7943 14.9046 14.9046 14.9115 14.9115 k = 0.0000 0.0000 0.4964 ( 2734 PWs) bands (ev): -29.7436 -29.7436 -11.0812 -11.0812 -10.7263 -10.7263 -10.6862 -10.6862 0.5934 0.5934 3.7250 3.7250 5.4574 5.4574 6.5524 6.5524 6.6159 6.6159 7.2677 7.2677 7.6467 7.6467 7.6983 7.6983 8.4662 8.4662 8.5919 8.5919 8.6562 8.6562 8.7746 8.7746 8.7858 8.7858 9.0524 9.0524 9.8095 9.8095 9.9800 9.9800 10.7606 10.7606 14.8354 14.8354 14.9388 14.9388 k = 0.0000 0.0000 0.5141 ( 2740 PWs) bands (ev): -29.7434 -29.7434 -11.0826 -11.0826 -10.7285 -10.7285 -10.6864 -10.6864 0.6520 0.6520 3.7212 3.7212 5.4422 5.4422 6.4776 6.4776 6.6354 6.6354 7.2780 7.2780 7.6538 7.6538 7.7040 7.7040 8.4512 8.4512 8.5804 8.5804 8.6371 8.6371 8.7622 8.7622 8.7747 8.7747 9.0674 9.0674 9.7650 9.7650 9.9802 9.9802 10.7276 10.7276 14.6975 14.6975 14.9599 14.9599 k = 0.0000 0.0000 0.5318 ( 2732 PWs) bands (ev): -29.7431 -29.7431 -11.0839 -11.0839 -10.7306 -10.7306 -10.6866 -10.6866 0.7112 0.7112 3.7178 3.7178 5.4242 5.4242 6.4041 6.4041 6.6601 6.6601 7.2884 7.2884 7.6604 7.6604 7.7100 7.7100 8.4360 8.4360 8.5687 8.5687 8.6176 8.6176 8.7406 8.7406 8.7680 8.7680 9.0891 9.0891 9.7214 9.7214 9.9802 9.9802 10.6949 10.6949 14.5681 14.5681 14.9703 14.9703 k = 0.0000 0.0000 0.5496 ( 2732 PWs) bands (ev): -29.7429 -29.7429 -11.0852 -11.0852 -10.7326 -10.7326 -10.6868 -10.6868 0.7706 0.7706 3.7145 3.7145 5.4039 5.4039 6.3324 6.3324 6.6889 6.6889 7.2986 7.2986 7.6666 7.6666 7.7158 7.7158 8.4207 8.4207 8.5555 8.5555 8.5987 8.5987 8.7133 8.7133 8.7641 8.7641 9.1152 9.1152 9.6785 9.6785 9.9800 9.9800 10.6620 10.6620 14.4481 14.4481 14.9640 14.9640 k = 0.0000 0.0000 0.5673 ( 2734 PWs) bands (ev): -29.7426 -29.7426 -11.0865 -11.0865 -10.7347 -10.7347 -10.6870 -10.6870 0.8300 0.8300 3.7116 3.7116 5.3821 5.3821 6.2628 6.2628 6.7210 6.7210 7.3087 7.3087 7.6723 7.6723 7.7214 7.7214 8.4054 8.4054 8.5399 8.5399 8.5820 8.5820 8.6832 8.6832 8.7618 8.7618 9.1442 9.1442 9.6364 9.6364 9.9796 9.9796 10.6284 10.6284 14.3382 14.3382 14.9362 14.9363 k = 0.0000 0.0000 0.5850 ( 2738 PWs) bands (ev): -29.7424 -29.7424 -11.0878 -11.0878 -10.7367 -10.7367 -10.6872 -10.6872 0.8893 0.8893 3.7090 3.7090 5.3592 5.3592 6.1954 6.1954 6.7559 6.7559 7.3186 7.3186 7.6778 7.6778 7.7266 7.7266 8.3900 8.3900 8.5209 8.5209 8.5683 8.5683 8.6518 8.6518 8.7604 8.7604 9.1752 9.1752 9.5949 9.5949 9.9791 9.9791 10.5938 10.5938 14.2392 14.2392 14.8865 14.8865 k = 0.0000 0.0000 0.6028 ( 2738 PWs) bands (ev): -29.7421 -29.7421 -11.0890 -11.0890 -10.7386 -10.7386 -10.6873 -10.6873 0.9483 0.9483 3.7067 3.7067 5.3360 5.3360 6.1303 6.1303 6.7931 6.7931 7.3282 7.3282 7.6830 7.6830 7.7315 7.7315 8.3748 8.3748 8.4992 8.4992 8.5569 8.5569 8.6204 8.6204 8.7599 8.7599 9.2075 9.2075 9.5542 9.5542 9.9784 9.9784 10.5577 10.5577 14.1515 14.1515 14.8185 14.8185 k = 0.0000 0.0000 0.6205 ( 2738 PWs) bands (ev): -29.7419 -29.7419 -11.0902 -11.0902 -10.7405 -10.7405 -10.6875 -10.6875 1.0066 1.0066 3.7046 3.7046 5.3129 5.3129 6.0677 6.0677 6.8318 6.8318 7.3375 7.3375 7.6878 7.6878 7.7359 7.7359 8.3596 8.3596 8.4758 8.4758 8.5448 8.5448 8.5916 8.5916 8.7600 8.7600 9.2406 9.2406 9.5141 9.5141 9.9777 9.9777 10.5201 10.5201 14.0756 14.0756 14.7380 14.7380 k = 0.0000 0.0000 0.6382 ( 2734 PWs) bands (ev): -29.7417 -29.7417 -11.0914 -11.0914 -10.7423 -10.7423 -10.6876 -10.6876 1.0642 1.0642 3.7029 3.7029 5.2904 5.2904 6.0075 6.0075 6.8718 6.8718 7.3465 7.3465 7.6922 7.6922 7.7400 7.7400 8.3446 8.3446 8.4516 8.4516 8.5268 8.5268 8.5706 8.5706 8.7606 8.7606 9.2742 9.2742 9.4746 9.4746 9.9768 9.9768 10.4806 10.4806 14.0116 14.0116 14.6497 14.6497 k = 0.0000 0.0000 0.6559 ( 2738 PWs) bands (ev): -29.7414 -29.7414 -11.0926 -11.0926 -10.7441 -10.7441 -10.6877 -10.6877 1.1207 1.1207 3.7014 3.7014 5.2688 5.2688 5.9498 5.9498 6.9124 6.9124 7.3551 7.3551 7.6959 7.6959 7.7439 7.7439 8.3294 8.3294 8.4270 8.4270 8.5000 8.5000 8.5601 8.5601 8.7615 8.7615 9.3081 9.3081 9.4357 9.4357 9.9759 9.9759 10.4394 10.4394 13.9599 13.9599 14.5573 14.5573 k = 0.0000 0.0000 0.6737 ( 2740 PWs) bands (ev): -29.7412 -29.7412 -11.0937 -11.0937 -10.7458 -10.7458 -10.6878 -10.6878 1.1760 1.1760 3.7001 3.7001 5.2486 5.2486 5.8948 5.8948 6.9532 6.9532 7.3633 7.3633 7.6987 7.6987 7.7478 7.7478 8.3143 8.3143 8.4024 8.4024 8.4690 8.4690 8.5557 8.5557 8.7628 8.7628 9.3420 9.3420 9.3974 9.3974 9.9751 9.9751 10.3965 10.3965 13.9205 13.9205 14.4634 14.4634 k = 0.0000 0.0000 0.6914 ( 2740 PWs) bands (ev): -29.7410 -29.7410 -11.0947 -11.0947 -10.7474 -10.7474 -10.6879 -10.6879 1.2297 1.2297 3.6991 3.6991 5.2300 5.2300 5.8425 5.8425 6.9938 6.9938 7.3711 7.3711 7.7006 7.7006 7.7521 7.7521 8.2989 8.2989 8.3782 8.3782 8.4369 8.4369 8.5546 8.5546 8.7642 8.7642 9.3589 9.3589 9.3767 9.3767 9.9742 9.9742 10.3521 10.3521 13.8932 13.8932 14.3696 14.3696 k = 0.0000 0.0000 0.7091 ( 2742 PWs) bands (ev): -29.7408 -29.7408 -11.0957 -11.0957 -10.7489 -10.7489 -10.6880 -10.6880 1.2817 1.2817 3.6983 3.6983 5.2133 5.2133 5.7929 5.7929 7.0337 7.0337 7.3785 7.3785 7.7013 7.7013 7.7570 7.7570 8.2830 8.2830 8.3545 8.3545 8.4050 8.4050 8.5558 8.5558 8.7656 8.7656 9.3221 9.3221 9.4098 9.4098 9.9732 9.9732 10.3067 10.3067 13.8779 13.8779 14.2772 14.2772 k = 0.0000 0.0000 0.7269 ( 2736 PWs) bands (ev): -29.7406 -29.7406 -11.0967 -11.0967 -10.7504 -10.7504 -10.6881 -10.6881 1.3317 1.3317 3.6978 3.6978 5.1985 5.1985 5.7461 5.7461 7.0725 7.0725 7.3853 7.3853 7.7010 7.7010 7.7627 7.7627 8.2662 8.2662 8.3314 8.3314 8.3741 8.3741 8.5589 8.5589 8.7672 8.7672 9.2855 9.2855 9.4429 9.4429 9.9723 9.9723 10.2607 10.2607 13.8742 13.8742 14.1871 14.1871 k = 0.0000 0.0000 0.7446 ( 2742 PWs) bands (ev): -29.7404 -29.7404 -11.0976 -11.0976 -10.7518 -10.7518 -10.6882 -10.6882 1.3795 1.3795 3.6973 3.6973 5.1858 5.1858 5.7022 5.7022 7.1096 7.1096 7.3917 7.3917 7.6999 7.6999 7.7692 7.7692 8.2482 8.2482 8.3087 8.3087 8.3453 8.3453 8.5638 8.5638 8.7689 8.7689 9.2495 9.2495 9.4754 9.4754 9.9714 9.9714 10.2143 10.2143 13.8817 13.8817 14.1000 14.1000 k = 0.0000 0.0000 0.7623 ( 2742 PWs) bands (ev): -29.7403 -29.7403 -11.0985 -11.0985 -10.7531 -10.7531 -10.6882 -10.6882 1.4250 1.4250 3.6971 3.6971 5.1752 5.1752 5.6611 5.6611 7.1446 7.1446 7.3976 7.3976 7.6985 7.6985 7.7766 7.7766 8.2288 8.2288 8.2852 8.2852 8.3199 8.3199 8.5704 8.5704 8.7706 8.7706 9.2140 9.2140 9.5070 9.5070 9.9705 9.9705 10.1686 10.1686 13.8998 13.8998 14.0164 14.0164 k = 0.0000 0.0000 0.7800 ( 2732 PWs) bands (ev): -29.7401 -29.7401 -11.0992 -11.0992 -10.7543 -10.7543 -10.6883 -10.6883 1.4678 1.4678 3.6969 3.6969 5.1667 5.1667 5.6229 5.6229 7.1770 7.1770 7.4031 7.4031 7.6975 7.6975 7.7848 7.7848 8.2078 8.2078 8.2600 8.2600 8.2993 8.2993 8.5787 8.5787 8.7723 8.7723 9.1791 9.1791 9.5376 9.5376 9.9697 9.9697 10.1240 10.1240 13.9276 13.9276 13.9374 13.9374 k = 0.0000 0.0000 0.7978 ( 2736 PWs) bands (ev): -29.7399 -29.7399 -11.1000 -11.1000 -10.7554 -10.7554 -10.6883 -10.6883 1.5078 1.5078 3.6969 3.6969 5.1603 5.1603 5.5877 5.5877 7.2061 7.2061 7.4080 7.4080 7.6974 7.6974 7.7937 7.7937 8.1854 8.1854 8.2333 8.2333 8.2831 8.2831 8.5886 8.5886 8.7739 8.7739 9.1447 9.1447 9.5670 9.5670 9.9688 9.9688 10.0809 10.0809 13.8620 13.8620 13.9655 13.9655 k = 0.0000 0.0000 0.8155 ( 2744 PWs) bands (ev): -29.7398 -29.7398 -11.1007 -11.1007 -10.7565 -10.7565 -10.6884 -10.6884 1.5448 1.5448 3.6970 3.6970 5.1557 5.1557 5.5554 5.5554 7.2313 7.2313 7.4124 7.4124 7.6991 7.6991 7.8033 7.8033 8.1620 8.1620 8.2061 8.2061 8.2700 8.2700 8.5999 8.5999 8.7754 8.7754 9.1110 9.1110 9.5949 9.5949 9.9679 9.9679 10.0401 10.0401 13.7920 13.7920 14.0115 14.0115 k = 0.0000 0.0000 0.8332 ( 2748 PWs) bands (ev): -29.7397 -29.7397 -11.1013 -11.1013 -10.7574 -10.7574 -10.6884 -10.6884 1.5788 1.5788 3.6971 3.6971 5.1528 5.1528 5.5261 5.5261 7.2524 7.2524 7.4163 7.4163 7.7032 7.7032 7.8136 7.8136 8.1379 8.1379 8.1791 8.1791 8.2592 8.2592 8.6129 8.6129 8.7769 8.7769 9.0779 9.0779 9.6210 9.6210 9.9666 9.9666 10.0023 10.0023 13.7274 13.7274 14.0652 14.0652 k = 0.0000 0.0000 0.8510 ( 2748 PWs) bands (ev): -29.7396 -29.7396 -11.1019 -11.1019 -10.7582 -10.7582 -10.6885 -10.6885 1.6094 1.6094 3.6973 3.6973 5.1514 5.1514 5.4999 5.4999 7.2690 7.2690 7.4198 7.4198 7.7103 7.7103 7.8246 7.8246 8.1133 8.1133 8.1530 8.1530 8.2501 8.2501 8.6273 8.6273 8.7782 8.7782 9.0457 9.0457 9.6453 9.6453 9.9596 9.9596 9.9733 9.9733 13.6684 13.6684 14.1257 14.1257 k = 0.0000 0.0000 0.8687 ( 2754 PWs) bands (ev): -29.7395 -29.7395 -11.1024 -11.1024 -10.7590 -10.7590 -10.6885 -10.6885 1.6367 1.6367 3.6975 3.6975 5.1511 5.1511 5.4766 5.4766 7.2812 7.2812 7.4227 7.4227 7.7206 7.7206 7.8362 7.8362 8.0883 8.0883 8.1277 8.1277 8.2424 8.2424 8.6430 8.6430 8.7793 8.7793 9.0142 9.0142 9.6673 9.6673 9.9321 9.9321 9.9684 9.9684 13.6154 13.6154 14.1920 14.1920 k = 0.0000 0.0000 0.8864 ( 2750 PWs) bands (ev): -29.7394 -29.7394 -11.1028 -11.1028 -10.7596 -10.7596 -10.6886 -10.6886 1.6606 1.6606 3.6977 3.6977 5.1518 5.1518 5.4565 5.4565 7.2895 7.2895 7.4252 7.4252 7.7339 7.7339 7.8486 7.8486 8.0633 8.0633 8.1037 8.1037 8.2359 8.2359 8.6600 8.6600 8.7803 8.7803 8.9838 8.9838 9.6870 9.6870 9.9044 9.9044 9.9675 9.9675 13.5688 13.5688 14.2626 14.2626 k = 0.0000 0.0000 0.9041 ( 2746 PWs) bands (ev): -29.7393 -29.7393 -11.1032 -11.1032 -10.7602 -10.7602 -10.6886 -10.6886 1.6808 1.6808 3.6980 3.6980 5.1531 5.1531 5.4394 5.4394 7.2945 7.2945 7.4273 7.4273 7.7498 7.7498 7.8614 7.8614 8.0384 8.0384 8.0812 8.0812 8.2306 8.2306 8.6781 8.6781 8.7809 8.7809 8.9545 8.9545 9.7041 9.7041 9.8803 9.8803 9.9670 9.9670 13.5289 13.5289 14.3359 14.3359 k = 0.0000 0.0000 0.9219 ( 2754 PWs) bands (ev): -29.7392 -29.7392 -11.1035 -11.1035 -10.7606 -10.7606 -10.6886 -10.6886 1.6975 1.6975 3.6982 3.6982 5.1546 5.1546 5.4254 5.4254 7.2970 7.2970 7.4289 7.4289 7.7672 7.7672 7.8746 7.8746 8.0138 8.0138 8.0602 8.0602 8.2262 8.2262 8.6970 8.6970 8.7811 8.7811 8.9268 8.9268 9.7183 9.7183 9.8600 9.8600 9.9667 9.9667 13.4958 13.4958 14.4096 14.4096 k = 0.0000 0.0000 0.9396 ( 2750 PWs) bands (ev): -29.7392 -29.7392 -11.1037 -11.1037 -10.7610 -10.7610 -10.6886 -10.6886 1.7105 1.7105 3.6983 3.6983 5.1561 5.1561 5.4145 5.4145 7.2979 7.2979 7.4301 7.4301 7.7851 7.7851 7.8882 7.8882 7.9901 7.9901 8.0417 8.0417 8.2230 8.2230 8.7164 8.7164 8.7808 8.7808 8.9011 8.9011 9.7297 9.7297 9.8441 9.8441 9.9666 9.9666 13.4698 13.4698 14.4800 14.4800 k = 0.0000 0.0000 0.9573 ( 2756 PWs) bands (ev): -29.7392 -29.7392 -11.1039 -11.1039 -10.7612 -10.7612 -10.6887 -10.6887 1.7198 1.7198 3.6984 3.6984 5.1574 5.1574 5.4067 5.4067 7.2980 7.2980 7.4310 7.4310 7.8016 7.8016 7.9019 7.9019 7.9678 7.9678 8.0263 8.0263 8.2206 8.2206 8.7355 8.7355 8.7791 8.7791 8.8788 8.8788 9.7380 9.7380 9.8327 9.8327 9.9665 9.9665 13.4511 13.4511 14.5418 14.5418 k = 0.0000 0.0000 0.9751 ( 2756 PWs) bands (ev): -29.7391 -29.7391 -11.1040 -11.1040 -10.7614 -10.7614 -10.6887 -10.6887 1.7254 1.7254 3.6985 3.6985 5.1582 5.1582 5.4021 5.4021 7.2978 7.2978 7.4315 7.4315 7.8138 7.8138 7.9158 7.9158 7.9479 7.9479 8.0158 8.0158 8.2192 8.2192 8.7529 8.7529 8.7751 8.7751 8.8625 8.8625 9.7430 9.7430 9.8258 9.8258 9.9664 9.9664 13.4399 13.4399 14.5862 14.5862 k = 0.0000 0.0000 0.9928 ( 2756 PWs) bands (ev): -29.7391 -29.7391 -11.1041 -11.1041 -10.7614 -10.7614 -10.6887 -10.6887 1.7273 1.7273 3.6985 3.6985 5.1585 5.1585 5.4005 5.4005 7.2977 7.2977 7.4317 7.4317 7.8184 7.8184 7.9306 7.9306 7.9308 7.9308 8.0120 8.0120 8.2187 8.2187 8.7658 8.7658 8.7676 8.7676 8.8562 8.8562 9.7447 9.7447 9.8235 9.8235 9.9664 9.9664 13.4361 13.4361 14.6028 14.6028 k = 0.0000 0.0000 0.9928 ( 2756 PWs) bands (ev): -29.7391 -29.7391 -11.1041 -11.1041 -10.7614 -10.7614 -10.6887 -10.6887 1.7273 1.7273 3.6985 3.6985 5.1585 5.1585 5.4005 5.4005 7.2977 7.2977 7.4317 7.4317 7.8184 7.8184 7.9306 7.9306 7.9308 7.9308 8.0120 8.0120 8.2187 8.2187 8.7658 8.7658 8.7676 8.7676 8.8562 8.8562 9.7447 9.7447 9.8235 9.8235 9.9664 9.9664 13.4361 13.4361 14.6028 14.6028 k =-0.0085 0.0146 0.9928 ( 2756 PWs) bands (ev): -29.7391 -29.7391 -11.1040 -11.1040 -10.7614 -10.7614 -10.6887 -10.6887 1.7274 1.7274 3.6928 3.6928 5.1598 5.1598 5.4058 5.4058 7.2940 7.2940 7.4320 7.4320 7.8189 7.8189 7.9294 7.9294 7.9321 7.9321 8.0119 8.0119 8.2185 8.2185 8.7637 8.7637 8.7684 8.7684 8.8587 8.8587 9.7484 9.7484 9.8235 9.8235 9.9687 9.9687 13.4357 13.4357 14.6020 14.6020 k =-0.0170 0.0291 0.9928 ( 2752 PWs) bands (ev): -29.7392 -29.7392 -11.1039 -11.1039 -10.7612 -10.7612 -10.6887 -10.6887 1.7278 1.7278 3.6757 3.6757 5.1635 5.1635 5.4216 5.4216 7.2831 7.2831 7.4328 7.4328 7.8202 7.8202 7.9282 7.9282 7.9337 7.9337 8.0117 8.0117 8.2177 8.2177 8.7590 8.7590 8.7690 8.7690 8.8666 8.8666 9.7593 9.7593 9.8236 9.8236 9.9754 9.9754 13.4346 13.4346 14.5996 14.5996 k =-0.0255 0.0437 0.9928 ( 2748 PWs) bands (ev): -29.7392 -29.7392 -11.1038 -11.1038 -10.7610 -10.7610 -10.6887 -10.6887 1.7285 1.7285 3.6481 3.6481 5.1697 5.1697 5.4470 5.4470 7.2657 7.2657 7.4334 7.4334 7.8224 7.8224 7.9270 7.9270 7.9354 7.9354 8.0114 8.0114 8.2165 8.2165 8.7513 8.7513 8.7690 8.7690 8.8807 8.8807 9.7772 9.7772 9.8239 9.8239 9.9867 9.9867 13.4328 13.4328 14.5957 14.5957 k =-0.0340 0.0583 0.9928 ( 2752 PWs) bands (ev): -29.7392 -29.7392 -11.1036 -11.1036 -10.7607 -10.7607 -10.6887 -10.6887 1.7294 1.7294 3.6109 3.6109 5.1783 5.1783 5.4810 5.4810 7.2428 7.2428 7.4335 7.4335 7.8256 7.8256 7.9258 7.9258 7.9371 7.9371 8.0111 8.0111 8.2147 8.2147 8.7401 8.7401 8.7687 8.7687 8.9013 8.9013 9.8013 9.8013 9.8243 9.8243 10.0023 10.0023 13.4303 13.4303 14.5903 14.5903 k =-0.0425 0.0729 0.9928 ( 2748 PWs) bands (ev): -29.7393 -29.7393 -11.1033 -11.1033 -10.7603 -10.7603 -10.6887 -10.6887 1.7304 1.7304 3.5654 3.5654 5.1895 5.1895 5.5224 5.5224 7.2151 7.2151 7.4328 7.4328 7.8296 7.8296 7.9244 7.9244 7.9388 7.9388 8.0110 8.0110 8.2125 8.2125 8.7258 8.7258 8.7681 8.7681 8.9284 8.9284 9.8226 9.8226 9.8337 9.8337 10.0226 10.0226 13.4272 13.4272 14.5835 14.5835 k =-0.0510 0.0874 0.9928 ( 2742 PWs) bands (ev): -29.7393 -29.7393 -11.1030 -11.1030 -10.7598 -10.7598 -10.6888 -10.6888 1.7317 1.7317 3.5127 3.5127 5.2031 5.2031 5.5698 5.5698 7.1835 7.1835 7.4310 7.4310 7.8345 7.8345 7.9230 7.9230 7.9403 7.9403 8.0112 8.0112 8.2098 8.2098 8.7090 8.7090 8.7675 8.7675 8.9613 8.9613 9.8241 9.8241 9.8683 9.8683 10.0476 10.0476 13.4236 13.4236 14.5754 14.5754 k =-0.0595 0.1020 0.9928 ( 2742 PWs) bands (ev): -29.7394 -29.7394 -11.1026 -11.1026 -10.7592 -10.7592 -10.6888 -10.6888 1.7330 1.7330 3.4541 3.4541 5.2191 5.2191 5.6221 5.6221 7.1484 7.1484 7.4283 7.4283 7.8403 7.8403 7.9213 7.9213 7.9413 7.9413 8.0119 8.0119 8.2066 8.2066 8.6904 8.6904 8.7667 8.7667 8.9995 8.9995 9.8247 9.8247 9.9087 9.9087 10.0772 10.0772 13.4195 13.4195 14.5661 14.5661 k =-0.0680 0.1166 0.9928 ( 2748 PWs) bands (ev): -29.7395 -29.7395 -11.1022 -11.1022 -10.7585 -10.7585 -10.6889 -10.6889 1.7344 1.7344 3.3908 3.3908 5.2375 5.2375 5.6780 5.6780 7.1104 7.1104 7.4246 7.4246 7.8467 7.8467 7.9194 7.9194 7.9417 7.9417 8.0135 8.0135 8.2030 8.2030 8.6707 8.6707 8.7657 8.7657 9.0424 9.0424 9.8253 9.8253 9.9534 9.9534 10.1117 10.1117 13.4151 13.4151 14.5557 14.5557 k =-0.0765 0.1312 0.9928 ( 2752 PWs) bands (ev): -29.7396 -29.7396 -11.1017 -11.1017 -10.7578 -10.7578 -10.6890 -10.6890 1.7358 1.7358 3.3235 3.3235 5.2584 5.2584 5.7365 5.7365 7.0701 7.0701 7.4201 7.4201 7.8533 7.8533 7.9173 7.9173 7.9413 7.9413 8.0161 8.0161 8.1989 8.1989 8.6509 8.6509 8.7647 8.7647 9.0895 9.0895 9.8260 9.8260 10.0020 10.0020 10.1509 10.1509 13.4104 13.4104 14.5443 14.5443 k =-0.0850 0.1457 0.9928 ( 2752 PWs) bands (ev): -29.7397 -29.7397 -11.1012 -11.1012 -10.7569 -10.7569 -10.6891 -10.6891 1.7371 1.7371 3.2534 3.2534 5.2817 5.2817 5.7967 5.7967 7.0280 7.0280 7.4151 7.4151 7.8596 7.8596 7.9152 7.9152 7.9405 7.9405 8.0201 8.0201 8.1945 8.1945 8.6313 8.6313 8.7637 8.7637 9.1404 9.1404 9.8269 9.8269 10.0541 10.0541 10.1950 10.1950 13.4056 13.4056 14.5320 14.5320 k =-0.0850 0.1457 0.9928 ( 2752 PWs) bands (ev): -29.7397 -29.7397 -11.1012 -11.1012 -10.7569 -10.7569 -10.6891 -10.6891 1.7371 1.7371 3.2534 3.2534 5.2817 5.2817 5.7967 5.7967 7.0280 7.0280 7.4151 7.4151 7.8596 7.8596 7.9152 7.9152 7.9405 7.9405 8.0201 8.0201 8.1945 8.1945 8.6313 8.6313 8.7637 8.7637 9.1404 9.1404 9.8269 9.8269 10.0541 10.0541 10.1950 10.1950 13.4056 13.4056 14.5320 14.5320 k =-0.0913 0.1565 0.9803 ( 2752 PWs) bands (ev): -29.7398 -29.7398 -11.1008 -11.1008 -10.7562 -10.7562 -10.6892 -10.6892 1.7372 1.7372 3.2001 3.2001 5.2998 5.2998 5.8425 5.8425 6.9967 6.9967 7.4108 7.4108 7.8623 7.8623 7.9104 7.9104 7.9431 7.9431 8.0255 8.0255 8.1912 8.1912 8.6172 8.6172 8.7624 8.7624 9.1806 9.1806 9.8292 9.8292 10.0935 10.0935 10.2315 10.2315 13.4038 13.4038 14.5174 14.5174 k =-0.0975 0.1673 0.9678 ( 2744 PWs) bands (ev): -29.7399 -29.7399 -11.1003 -11.1003 -10.7554 -10.7554 -10.6892 -10.6892 1.7357 1.7357 3.1464 3.1464 5.3178 5.3178 5.8894 5.8894 6.9666 6.9666 7.4057 7.4057 7.8624 7.8624 7.9029 7.9029 7.9480 7.9480 8.0349 8.0349 8.1883 8.1883 8.6037 8.6037 8.7603 8.7603 9.2224 9.2224 9.8352 9.8352 10.1318 10.1318 10.2725 10.2725 13.4056 13.4056 14.4939 14.4939 k =-0.1038 0.1781 0.9553 ( 2740 PWs) bands (ev): -29.7400 -29.7400 -11.0997 -11.0997 -10.7545 -10.7545 -10.6892 -10.6892 1.7327 1.7327 3.0925 3.0925 5.3351 5.3351 5.9372 5.9372 6.9383 6.9383 7.3998 7.3998 7.8605 7.8605 7.8955 7.8955 7.9518 7.9518 8.0479 8.0479 8.1857 8.1857 8.5908 8.5908 8.7576 8.7576 9.2645 9.2645 9.8456 9.8456 10.1686 10.1686 10.3182 10.3182 13.4112 13.4112 14.4634 14.4634 k =-0.1101 0.1889 0.9428 ( 2740 PWs) bands (ev): -29.7402 -29.7402 -11.0991 -11.0991 -10.7536 -10.7536 -10.6893 -10.6893 1.7284 1.7284 3.0388 3.0388 5.3513 5.3513 5.9854 5.9854 6.9123 6.9123 7.3930 7.3930 7.8570 7.8570 7.8893 7.8893 7.9535 7.9535 8.0637 8.0637 8.1836 8.1836 8.5788 8.5788 8.7545 8.7545 9.3057 9.3057 9.8608 9.8608 10.2037 10.2037 10.3689 10.3689 13.4204 13.4204 14.4278 14.4278 k =-0.1164 0.1997 0.9304 ( 2742 PWs) bands (ev): -29.7403 -29.7403 -11.0986 -11.0986 -10.7527 -10.7527 -10.6893 -10.6893 1.7228 1.7228 2.9854 2.9854 5.3660 5.3660 6.0339 6.0339 6.8890 6.8890 7.3855 7.3855 7.8524 7.8524 7.8843 7.8843 7.9535 7.9535 8.0813 8.0813 8.1818 8.1818 8.5677 8.5677 8.7511 8.7511 9.3452 9.3452 9.8817 9.8817 10.2372 10.2372 10.4248 10.4248 13.4332 13.4332 14.3889 14.3889 k =-0.1227 0.2105 0.9179 ( 2742 PWs) bands (ev): -29.7404 -29.7404 -11.0979 -11.0979 -10.7516 -10.7516 -10.6892 -10.6892 1.7161 1.7161 2.9326 2.9326 5.3787 5.3787 6.0825 6.0825 6.8690 6.8690 7.3772 7.3772 7.8471 7.8471 7.8803 7.8803 7.9520 7.9520 8.0999 8.0999 8.1809 8.1809 8.5576 8.5576 8.7473 8.7473 9.3821 9.3821 9.9087 9.9087 10.2692 10.2692 10.4857 10.4857 13.4497 13.4497 14.3481 14.3481 k =-0.1290 0.2213 0.9054 ( 2740 PWs) bands (ev): -29.7406 -29.7406 -11.0973 -11.0973 -10.7506 -10.7506 -10.6891 -10.6891 1.7084 1.7084 2.8807 2.8807 5.3891 5.3891 6.1309 6.1309 6.8524 6.8524 7.3684 7.3684 7.8413 7.8413 7.8770 7.8770 7.9497 7.9497 8.1180 8.1180 8.1815 8.1815 8.5486 8.5486 8.7433 8.7433 9.4160 9.4160 9.9419 9.9419 10.3000 10.3000 10.5514 10.5514 13.4698 13.4698 14.3064 14.3065 k =-0.1353 0.2320 0.8929 ( 2742 PWs) bands (ev): -29.7407 -29.7407 -11.0967 -11.0967 -10.7495 -10.7495 -10.6890 -10.6890 1.6998 1.6998 2.8297 2.8297 5.3969 5.3969 6.1789 6.1789 6.8395 6.8395 7.3589 7.3589 7.8351 7.8351 7.8739 7.8739 7.9474 7.9474 8.1334 8.1334 8.1855 8.1855 8.5405 8.5405 8.7390 8.7390 9.4470 9.4470 9.9811 9.9811 10.3295 10.3295 10.6218 10.6218 13.4933 13.4933 14.2650 14.2650 k =-0.1416 0.2428 0.8804 ( 2746 PWs) bands (ev): -29.7409 -29.7409 -11.0960 -11.0960 -10.7485 -10.7485 -10.6888 -10.6888 1.6904 1.6904 2.7798 2.7798 5.4019 5.4019 6.2265 6.2265 6.8304 6.8304 7.3489 7.3489 7.8283 7.8283 7.8704 7.8704 7.9459 7.9459 8.1431 8.1431 8.1955 8.1955 8.5334 8.5334 8.7342 8.7342 9.4755 9.4755 10.0258 10.0258 10.3580 10.3580 10.6970 10.6970 13.5204 13.5204 14.2245 14.2245 k =-0.1478 0.2536 0.8679 ( 2741 PWs) bands (ev): -29.7411 -29.7411 -11.0954 -11.0954 -10.7474 -10.7474 -10.6885 -10.6885 1.6805 1.6805 2.7313 2.7313 5.4038 5.4038 6.2735 6.2735 6.8250 6.8250 7.3386 7.3386 7.8205 7.8205 7.8667 7.8667 7.9460 7.9460 8.1468 8.1468 8.2117 8.2117 8.5273 8.5273 8.7290 8.7290 9.5021 9.5021 10.0752 10.0752 10.3855 10.3855 10.7769 10.7769 13.5509 13.5509 14.1855 14.1855 k =-0.1541 0.2644 0.8554 ( 2740 PWs) bands (ev): -29.7412 -29.7412 -11.0947 -11.0947 -10.7463 -10.7463 -10.6882 -10.6882 1.6700 1.6700 2.6841 2.6841 5.4029 5.4029 6.3198 6.3198 6.8232 6.8232 7.3281 7.3281 7.8110 7.8110 7.8628 7.8628 7.9481 7.9481 8.1468 8.1468 8.2315 8.2315 8.5219 8.5219 8.7232 8.7232 9.5278 9.5278 10.1282 10.1282 10.4119 10.4119 10.8613 10.8613 13.5848 13.5848 14.1487 14.1487 k =-0.1604 0.2752 0.8429 ( 2734 PWs) bands (ev): -29.7414 -29.7414 -11.0941 -11.0941 -10.7452 -10.7452 -10.6878 -10.6878 1.6592 1.6592 2.6384 2.6384 5.3991 5.3991 6.3653 6.3653 6.8247 6.8247 7.3176 7.3176 7.7994 7.7994 7.8594 7.8594 7.9524 7.9524 8.1449 8.1449 8.2525 8.2525 8.5174 8.5174 8.7169 8.7169 9.5535 9.5535 10.1837 10.1837 10.4374 10.4374 10.9503 10.9503 13.6219 13.6219 14.1143 14.1143 k =-0.1667 0.2860 0.8305 ( 2736 PWs) bands (ev): -29.7416 -29.7416 -11.0934 -11.0934 -10.7443 -10.7443 -10.6874 -10.6874 1.6480 1.6480 2.5943 2.5943 5.3926 5.3926 6.4099 6.4099 6.8291 6.8291 7.3072 7.3072 7.7854 7.7854 7.8570 7.8570 7.9587 7.9587 8.1422 8.1422 8.2738 8.2738 8.5135 8.5135 8.7099 8.7099 9.5801 9.5801 10.2407 10.2407 10.4618 10.4618 11.0437 11.0437 13.6622 13.6622 14.0826 14.0826 k =-0.1730 0.2968 0.8180 ( 2736 PWs) bands (ev): -29.7418 -29.7418 -11.0928 -11.0928 -10.7433 -10.7433 -10.6868 -10.6868 1.6368 1.6368 2.5520 2.5520 5.3837 5.3837 6.4537 6.4537 6.8359 6.8359 7.2970 7.2970 7.7690 7.7690 7.8557 7.8557 7.9668 7.9668 8.1389 8.1389 8.2945 8.2945 8.5102 8.5102 8.7021 8.7021 9.6082 9.6082 10.2984 10.2984 10.4851 10.4851 11.1415 11.1415 13.7056 13.7056 14.0538 14.0538 k =-0.1793 0.3075 0.8055 ( 2740 PWs) bands (ev): -29.7419 -29.7419 -11.0923 -11.0923 -10.7424 -10.7424 -10.6862 -10.6862 1.6255 1.6255 2.5114 2.5114 5.3727 5.3727 6.4965 6.4965 6.8447 6.8447 7.2873 7.2873 7.7504 7.7504 7.8556 7.8556 7.9763 7.9763 8.1353 8.1353 8.3143 8.3143 8.5076 8.5076 8.6935 8.6935 9.6387 9.6387 10.3558 10.3558 10.5074 10.5074 11.2434 11.2434 13.7519 13.7519 14.0276 14.0276 k =-0.1856 0.3183 0.7930 ( 2738 PWs) bands (ev): -29.7421 -29.7421 -11.0917 -11.0917 -10.7416 -10.7416 -10.6856 -10.6856 1.6143 1.6143 2.4727 2.4727 5.3601 5.3601 6.5383 6.5383 6.8548 6.8548 7.2783 7.2783 7.7302 7.7302 7.8567 7.8567 7.9872 7.9872 8.1316 8.1316 8.3326 8.3326 8.5057 8.5057 8.6841 8.6841 9.6721 9.6721 10.4122 10.4122 10.5287 10.5287 11.3494 11.3494 13.8011 13.8011 14.0031 14.0031 k =-0.1919 0.3291 0.7805 ( 2736 PWs) bands (ev): -29.7423 -29.7423 -11.0912 -11.0912 -10.7408 -10.7408 -10.6848 -10.6848 1.6032 1.6032 2.4358 2.4358 5.3461 5.3461 6.5792 6.5792 6.8658 6.8658 7.2702 7.2702 7.7086 7.7086 7.8588 7.8588 7.9990 7.9990 8.1281 8.1281 8.3490 8.3490 8.5047 8.5047 8.6738 8.6738 9.7088 9.7088 10.4664 10.4664 10.5491 10.5491 11.4592 11.4592 13.8530 13.8530 13.9779 13.9779 k =-0.1982 0.3399 0.7680 ( 2736 PWs) bands (ev): -29.7424 -29.7424 -11.0907 -11.0907 -10.7401 -10.7401 -10.6840 -10.6840 1.5923 1.5923 2.4010 2.4010 5.3312 5.3312 6.6190 6.6190 6.8770 6.8770 7.2630 7.2630 7.6858 7.6858 7.8618 7.8618 8.0112 8.0112 8.1250 8.1250 8.3632 8.3632 8.5045 8.5045 8.6627 8.6627 9.7490 9.7490 10.5176 10.5176 10.5689 10.5689 11.5726 11.5726 13.9067 13.9067 13.9474 13.9474 k =-0.2044 0.3507 0.7555 ( 2734 PWs) bands (ev): -29.7426 -29.7426 -11.0902 -11.0902 -10.7395 -10.7395 -10.6832 -10.6832 1.5818 1.5818 2.3682 2.3682 5.3157 5.3157 6.6577 6.6577 6.8881 6.8881 7.2570 7.2570 7.6622 7.6622 7.8656 7.8656 8.0235 8.0235 8.1226 8.1226 8.3750 8.3750 8.5053 8.5053 8.6507 8.6507 9.7929 9.7929 10.5631 10.5631 10.5898 10.5898 11.6895 11.6895 13.9011 13.9011 13.9659 13.9659 k =-0.2107 0.3615 0.7431 ( 2729 PWs) bands (ev): -29.7427 -29.7427 -11.0897 -11.0897 -10.7390 -10.7390 -10.6823 -10.6823 1.5717 1.5717 2.3375 2.3375 5.3000 5.3000 6.6954 6.6954 6.8986 6.8986 7.2523 7.2523 7.6380 7.6380 7.8702 7.8702 8.0349 8.0349 8.1218 8.1218 8.3842 8.3842 8.5072 8.5072 8.6379 8.6379 9.8407 9.8407 10.5944 10.5944 10.6199 10.6199 11.8094 11.8094 13.8445 13.8445 14.0243 14.0243 k =-0.2170 0.3723 0.7306 ( 2725 PWs) bands (ev): -29.7429 -29.7429 -11.0893 -11.0893 -10.7385 -10.7385 -10.6814 -10.6814 1.5620 1.5620 2.3089 2.3089 5.2842 5.2842 6.7320 6.7320 6.9082 6.9082 7.2489 7.2489 7.6134 7.6134 7.8754 7.8754 8.0443 8.0443 8.1235 8.1235 8.3909 8.3909 8.5099 8.5099 8.6244 8.6244 9.8920 9.8920 10.6129 10.6129 10.6570 10.6570 11.9320 11.9320 13.7798 13.7798 14.0470 14.0470 k =-0.2233 0.3831 0.7181 ( 2723 PWs) bands (ev): -29.7430 -29.7430 -11.0889 -11.0889 -10.7380 -10.7380 -10.6805 -10.6805 1.5529 1.5529 2.2824 2.2824 5.2689 5.2689 6.7673 6.7673 6.9167 6.9167 7.2468 7.2468 7.5885 7.5885 7.8813 7.8813 8.0505 8.0505 8.1288 8.1288 8.3953 8.3953 8.5131 8.5131 8.6102 8.6102 9.9466 9.9466 10.6280 10.6280 10.6911 10.6911 12.0571 12.0571 13.7121 13.7121 14.0551 14.0551 k =-0.2296 0.3938 0.7056 ( 2723 PWs) bands (ev): -29.7431 -29.7431 -11.0886 -11.0886 -10.7377 -10.7377 -10.6797 -10.6797 1.5444 1.5444 2.2582 2.2582 5.2540 5.2540 6.8013 6.8013 6.9239 6.9239 7.2459 7.2459 7.5635 7.5635 7.8876 7.8876 8.0529 8.0529 8.1383 8.1383 8.3979 8.3979 8.5164 8.5164 8.5956 8.5956 10.0041 10.0041 10.6413 10.6413 10.7200 10.7200 12.1840 12.1840 13.6441 13.6441 14.0710 14.0710 k =-0.2359 0.4046 0.6931 ( 2719 PWs) bands (ev): -29.7433 -29.7433 -11.0882 -11.0882 -10.7374 -10.7374 -10.6788 -10.6788 1.5366 1.5366 2.2362 2.2362 5.2400 5.2400 6.8340 6.8340 6.9300 6.9300 7.2462 7.2462 7.5387 7.5387 7.8944 7.8944 8.0521 8.0521 8.1511 8.1511 8.3991 8.3991 8.5193 8.5193 8.5810 8.5810 10.0641 10.0641 10.6532 10.6532 10.7429 10.7429 12.3122 12.3122 13.5776 13.5776 14.0935 14.0936 k =-0.2422 0.4154 0.6806 ( 2730 PWs) bands (ev): -29.7434 -29.7434 -11.0880 -11.0880 -10.7372 -10.7372 -10.6780 -10.6780 1.5294 1.5294 2.2164 2.2164 5.2270 5.2270 6.8648 6.8648 6.9350 6.9350 7.2473 7.2473 7.5143 7.5143 7.9015 7.9015 8.0489 8.0489 8.1662 8.1662 8.3992 8.3992 8.5206 8.5206 8.5672 8.5672 10.1259 10.1259 10.6637 10.6637 10.7590 10.7590 12.4410 12.4410 13.5140 13.5140 14.1222 14.1223 k =-0.2485 0.4262 0.6681 ( 2734 PWs) bands (ev): -29.7435 -29.7435 -11.0878 -11.0878 -10.7370 -10.7370 -10.6773 -10.6773 1.5230 1.5230 2.1989 2.1989 5.2152 5.2152 6.8932 6.8932 6.9397 6.9397 7.2491 7.2491 7.4905 7.4905 7.9088 7.9088 8.0444 8.0444 8.1825 8.1825 8.3987 8.3987 8.5188 8.5188 8.5561 8.5561 10.1887 10.1887 10.6729 10.6729 10.7683 10.7683 12.5694 12.5694 13.4546 13.4546 14.1567 14.1567 k =-0.2548 0.4370 0.6557 ( 2740 PWs) bands (ev): -29.7436 -29.7436 -11.0876 -11.0876 -10.7368 -10.7368 -10.6767 -10.6767 1.5173 1.5173 2.1836 2.1836 5.2046 5.2046 6.9172 6.9172 6.9458 6.9458 7.2513 7.2513 7.4678 7.4678 7.9162 7.9162 8.0390 8.0390 8.1994 8.1994 8.3978 8.3978 8.5116 8.5116 8.5498 8.5498 10.2517 10.2517 10.6809 10.6809 10.7703 10.7703 12.6962 12.6962 13.4004 13.4004 14.1963 14.1963 k =-0.2610 0.4478 0.6432 ( 2738 PWs) bands (ev): -29.7436 -29.7436 -11.0874 -11.0874 -10.7367 -10.7367 -10.6761 -10.6761 1.5125 1.5125 2.1708 2.1708 5.1955 5.1955 6.9316 6.9316 6.9585 6.9585 7.2538 7.2538 7.4465 7.4465 7.9237 7.9237 8.0332 8.0332 8.2161 8.2161 8.3969 8.3969 8.5001 8.5001 8.5480 8.5480 10.3140 10.3140 10.6874 10.6874 10.7653 10.7653 12.8195 12.8195 13.3526 13.3526 14.2407 14.2407 k =-0.2673 0.4586 0.6307 ( 2736 PWs) bands (ev): -29.7437 -29.7437 -11.0873 -11.0873 -10.7366 -10.7366 -10.6755 -10.6755 1.5085 1.5085 2.1602 2.1602 5.1879 5.1879 6.9368 6.9368 6.9768 6.9768 7.2561 7.2561 7.4273 7.4273 7.9308 7.9308 8.0272 8.0272 8.2320 8.2320 8.3959 8.3959 8.4869 8.4869 8.5480 8.5480 10.3745 10.3745 10.6925 10.6925 10.7535 10.7535 12.9364 12.9364 13.3123 13.3123 14.2892 14.2892 k =-0.2736 0.4694 0.6182 ( 2736 PWs) bands (ev): -29.7437 -29.7437 -11.0872 -11.0872 -10.7365 -10.7365 -10.6751 -10.6751 1.5054 1.5054 2.1519 2.1519 5.1819 5.1819 6.9389 6.9389 6.9943 6.9943 7.2583 7.2583 7.4109 7.4109 7.9373 7.9373 8.0216 8.0216 8.2462 8.2462 8.3952 8.3952 8.4742 8.4742 8.5486 8.5486 10.4314 10.4314 10.6954 10.6954 10.7362 10.7362 13.0422 13.0422 13.2803 13.2803 14.3475 14.3495 k =-0.2799 0.4801 0.6057 ( 2736 PWs) bands (ev): -29.7438 -29.7438 -11.0871 -11.0871 -10.7365 -10.7365 -10.6749 -10.6749 1.5032 1.5032 2.1461 2.1461 5.1775 5.1775 6.9399 6.9399 7.0082 7.0082 7.2600 7.2600 7.3981 7.3981 7.9426 7.9426 8.0168 8.0168 8.2576 8.2576 8.3946 8.3946 8.4636 8.4636 8.5492 8.5492 10.4825 10.4825 10.6933 10.6933 10.7182 10.7182 13.1296 13.1296 13.2579 13.2579 14.2627 14.2627 k =-0.2862 0.4909 0.5932 ( 2736 PWs) bands (ev): -29.7438 -29.7438 -11.0870 -11.0870 -10.7365 -10.7365 -10.6747 -10.6747 1.5018 1.5018 2.1425 2.1425 5.1749 5.1749 6.9404 6.9404 7.0171 7.0171 7.2611 7.2611 7.3899 7.3899 7.9463 7.9463 8.0136 8.0136 8.2651 8.2651 8.3943 8.3943 8.4565 8.4565 8.5497 8.5497 10.5226 10.5226 10.6798 10.6798 10.7103 10.7103 13.1865 13.1865 13.2474 13.2474 14.2029 14.2029 k =-0.2925 0.5017 0.5807 ( 2736 PWs) bands (ev): -29.7438 -29.7438 -11.0870 -11.0870 -10.7364 -10.7364 -10.6746 -10.6746 1.5014 1.5014 2.1413 2.1413 5.1740 5.1740 6.9405 6.9405 7.0203 7.0203 7.2615 7.2615 7.3870 7.3870 7.9476 7.9476 8.0125 8.0125 8.2675 8.2675 8.3942 8.3942 8.4541 8.4541 8.5498 8.5498 10.5398 10.5398 10.6700 10.6700 10.7093 10.7093 13.2037 13.2037 13.2475 13.2475 14.1811 14.1811 k =-0.2925 0.5017 0.5807 ( 2736 PWs) bands (ev): -29.7438 -29.7438 -11.0870 -11.0870 -10.7364 -10.7364 -10.6746 -10.6746 1.5014 1.5014 2.1413 2.1413 5.1740 5.1740 6.9405 6.9405 7.0203 7.0203 7.2615 7.2615 7.3870 7.3870 7.9476 7.9476 8.0125 8.0125 8.2675 8.2675 8.3942 8.3942 8.4541 8.4541 8.5498 8.5498 10.5398 10.5398 10.6700 10.6700 10.7093 10.7093 13.2037 13.2037 13.2475 13.2475 14.1811 14.1811 k =-0.2863 0.4910 0.5684 ( 2740 PWs) bands (ev): -29.7437 -29.7437 -11.0877 -11.0877 -10.7373 -10.7373 -10.6743 -10.6743 1.4782 1.4782 2.2073 2.2073 5.1552 5.1552 6.9396 6.9396 7.0192 7.0192 7.2429 7.2429 7.4008 7.4008 7.9599 7.9599 8.0214 8.0214 8.2578 8.2578 8.3849 8.3849 8.4261 8.4261 8.5443 8.5443 10.4868 10.4868 10.6190 10.6190 10.6966 10.6966 13.1095 13.1095 13.3139 13.3139 14.1501 14.1501 k =-0.2800 0.4804 0.5560 ( 2734 PWs) bands (ev): -29.7436 -29.7436 -11.0882 -11.0882 -10.7379 -10.7379 -10.6739 -10.6739 1.4509 1.4509 2.2740 2.2740 5.1424 5.1424 6.9357 6.9357 7.0190 7.0190 7.2251 7.2251 7.4152 7.4152 7.9624 7.9624 8.0382 8.0382 8.2491 8.2491 8.3783 8.3783 8.3992 8.3992 8.5408 8.5408 10.4360 10.4360 10.5376 10.5376 10.7171 10.7171 13.0070 13.0070 13.3902 13.3902 14.1215 14.1215 k =-0.2738 0.4697 0.5437 ( 2732 PWs) bands (ev): -29.7436 -29.7436 -11.0886 -11.0886 -10.7385 -10.7385 -10.6736 -10.6736 1.4195 1.4195 2.3413 2.3413 5.1356 5.1356 6.9285 6.9285 7.0197 7.0197 7.2079 7.2079 7.4301 7.4301 7.9576 7.9576 8.0602 8.0602 8.2410 8.2410 8.3706 8.3706 8.3775 8.3775 8.5392 8.5392 10.3871 10.3871 10.4582 10.4582 10.7387 10.7387 12.9045 12.9045 13.4677 13.4677 14.0955 14.0955 k =-0.2676 0.4590 0.5313 ( 2730 PWs) bands (ev): -29.7435 -29.7435 -11.0889 -11.0889 -10.7389 -10.7389 -10.6733 -10.6733 1.3842 1.3842 2.4090 2.4090 5.1345 5.1345 6.9179 6.9179 7.0214 7.0214 7.1915 7.1915 7.4455 7.4455 7.9484 7.9484 8.0846 8.0846 8.2331 8.2331 8.3492 8.3492 8.3746 8.3746 8.5393 8.5393 10.3383 10.3383 10.3834 10.3834 10.7608 10.7608 12.8025 12.8025 13.5455 13.5455 14.0720 14.0720 k =-0.2614 0.4483 0.5190 ( 2726 PWs) bands (ev): -29.7435 -29.7435 -11.0891 -11.0891 -10.7391 -10.7391 -10.6731 -10.6731 1.3452 1.3452 2.4770 2.4770 5.1390 5.1390 6.9038 6.9038 7.0242 7.0242 7.1759 7.1759 7.4615 7.4615 7.9367 7.9367 8.1095 8.1095 8.2245 8.2245 8.3302 8.3302 8.3760 8.3760 8.5411 8.5411 10.2816 10.2816 10.3212 10.3212 10.7836 10.7836 12.7012 12.7012 13.6228 13.6228 14.0511 14.0511 k =-0.2551 0.4377 0.5066 ( 2726 PWs) bands (ev): -29.7435 -29.7435 -11.0892 -11.0892 -10.7392 -10.7392 -10.6729 -10.6729 1.3028 1.3028 2.5451 2.5451 5.1487 5.1487 6.8863 6.8863 7.0281 7.0281 7.1612 7.1612 7.4779 7.4779 7.9232 7.9232 8.1334 8.1334 8.2143 8.2143 8.3170 8.3170 8.3797 8.3797 8.5445 8.5445 10.2130 10.2130 10.2757 10.2757 10.8069 10.8069 12.6008 12.6008 13.6990 13.6990 14.0327 14.0327 k =-0.2489 0.4270 0.4942 ( 2728 PWs) bands (ev): -29.7435 -29.7435 -11.0892 -11.0892 -10.7392 -10.7392 -10.6728 -10.6728 1.2572 1.2572 2.6130 2.6130 5.1632 5.1632 6.8656 6.8656 7.0333 7.0333 7.1472 7.1472 7.4948 7.4948 7.9086 7.9086 8.1516 8.1516 8.2057 8.2057 8.3111 8.3111 8.3855 8.3855 8.5494 8.5494 10.1412 10.1412 10.2382 10.2382 10.8309 10.8309 12.5012 12.5012 13.7731 13.7731 14.0169 14.0169 k =-0.2427 0.4163 0.4819 ( 2724 PWs) bands (ev): -29.7435 -29.7435 -11.0890 -11.0890 -10.7391 -10.7391 -10.6726 -10.6726 1.2087 1.2087 2.6807 2.6807 5.1820 5.1820 6.8422 6.8422 7.0398 7.0398 7.1343 7.1343 7.5123 7.5123 7.8934 7.8934 8.1521 8.1521 8.2110 8.2110 8.3122 8.3122 8.3932 8.3932 8.5559 8.5559 10.0698 10.0698 10.2050 10.2050 10.8558 10.8558 12.4027 12.4027 13.8438 13.8438 14.0036 14.0036 k =-0.2365 0.4056 0.4695 ( 2724 PWs) bands (ev): -29.7435 -29.7435 -11.0888 -11.0888 -10.7388 -10.7388 -10.6726 -10.6726 1.1578 1.1578 2.7479 2.7479 5.2045 5.2045 6.8162 6.8162 7.0477 7.0477 7.1225 7.1225 7.5301 7.5301 7.8781 7.8781 8.1352 8.1352 8.2307 8.2307 8.3190 8.3190 8.4025 8.4025 8.5637 8.5637 9.9997 9.9997 10.1753 10.1753 10.8815 10.8815 12.3051 12.3051 13.9095 13.9095 13.9929 13.9929 k =-0.2303 0.3950 0.4572 ( 2720 PWs) bands (ev): -29.7436 -29.7436 -11.0884 -11.0884 -10.7383 -10.7383 -10.6725 -10.6725 1.1047 1.1047 2.8144 2.8144 5.2302 5.2302 6.7885 6.7885 7.0566 7.0566 7.1122 7.1122 7.5484 7.5484 7.8629 7.8629 8.1121 8.1121 8.2545 8.2545 8.3304 8.3304 8.4134 8.4134 8.5730 8.5730 9.9311 9.9311 10.1487 10.1487 10.9082 10.9082 12.2086 12.2086 13.9669 13.9669 13.9861 13.9861 k =-0.2240 0.3843 0.4448 ( 2722 PWs) bands (ev): -29.7436 -29.7436 -11.0879 -11.0879 -10.7378 -10.7378 -10.6725 -10.6725 1.0497 1.0497 2.8799 2.8799 5.2583 5.2583 6.7594 6.7594 7.0655 7.0655 7.1046 7.1046 7.5671 7.5671 7.8481 7.8481 8.0866 8.0866 8.2791 8.2791 8.3456 8.3456 8.4256 8.4256 8.5835 8.5835 9.8642 9.8642 10.1250 10.1250 10.9358 10.9358 12.1132 12.1132 13.9773 13.9773 14.0193 14.0193 k =-0.2178 0.3736 0.4325 ( 2730 PWs) bands (ev): -29.7437 -29.7437 -11.0874 -11.0874 -10.7371 -10.7371 -10.6726 -10.6726 0.9933 0.9933 2.9443 2.9443 5.2882 5.2882 6.7298 6.7298 7.0709 7.0709 7.1034 7.1034 7.5861 7.5861 7.8340 7.8340 8.0602 8.0602 8.3036 8.3036 8.3639 8.3639 8.4389 8.4389 8.5952 8.5952 9.7989 9.7989 10.1043 10.1043 10.9646 10.9646 12.0188 12.0188 13.9741 13.9741 14.0562 14.0562 k =-0.2116 0.3629 0.4201 ( 2730 PWs) bands (ev): -29.7438 -29.7438 -11.0867 -11.0867 -10.7363 -10.7363 -10.6727 -10.6727 0.9357 0.9357 3.0074 3.0074 5.3192 5.3192 6.7004 6.7004 7.0691 7.0691 7.1125 7.1125 7.6055 7.6055 7.8208 7.8208 8.0333 8.0333 8.3277 8.3277 8.3849 8.3849 8.4533 8.4533 8.6082 8.6082 9.7354 9.7354 10.0865 10.0865 10.9946 10.9946 11.9257 11.9257 13.9730 13.9730 14.0783 14.0783 k =-0.2054 0.3523 0.4078 ( 2730 PWs) bands (ev): -29.7439 -29.7439 -11.0859 -11.0859 -10.7353 -10.7353 -10.6728 -10.6728 0.8772 0.8772 3.0689 3.0689 5.3503 5.3503 6.6720 6.6720 7.0635 7.0635 7.1285 7.1285 7.6252 7.6252 7.8087 7.8087 8.0064 8.0064 8.3514 8.3514 8.4078 8.4078 8.4686 8.4686 8.6224 8.6224 9.6738 9.6738 10.0716 10.0716 11.0258 11.0258 11.8337 11.8337 13.9741 13.9741 14.0834 14.0834 k =-0.1991 0.3416 0.3954 ( 2734 PWs) bands (ev): -29.7440 -29.7440 -11.0851 -11.0851 -10.7342 -10.7342 -10.6729 -10.6729 0.8182 0.8182 3.1285 3.1285 5.3807 5.3807 6.6454 6.6454 7.0571 7.0571 7.1486 7.1486 7.6450 7.6450 7.7979 7.7979 7.9797 7.9797 8.3748 8.3748 8.4321 8.4321 8.4848 8.4848 8.6376 8.6376 9.6139 9.6139 10.0596 10.0596 11.0582 11.0582 11.7430 11.7430 13.9774 13.9774 14.0711 14.0711 k =-0.1929 0.3309 0.3830 ( 2738 PWs) bands (ev): -29.7441 -29.7441 -11.0841 -11.0841 -10.7330 -10.7330 -10.6731 -10.6731 0.7589 0.7589 3.1863 3.1863 5.4095 5.4095 6.6215 6.6215 7.0509 7.0509 7.1717 7.1717 7.6648 7.6648 7.7887 7.7887 7.9532 7.9532 8.3980 8.3980 8.4572 8.4572 8.5019 8.5019 8.6539 8.6539 9.5559 9.5559 10.0506 10.0506 11.0919 11.0919 11.6534 11.6534 13.9828 13.9828 14.0429 14.0429 k =-0.1867 0.3202 0.3707 ( 2742 PWs) bands (ev): -29.7442 -29.7442 -11.0831 -11.0831 -10.7317 -10.7317 -10.6733 -10.6733 0.6995 0.6995 3.2418 3.2418 5.4357 5.4357 6.6012 6.6012 7.0452 7.0452 7.1977 7.1977 7.6844 7.6844 7.7814 7.7814 7.9273 7.9273 8.4211 8.4211 8.4824 8.4824 8.5200 8.5200 8.6711 8.6711 9.4999 9.4999 10.0447 10.0447 11.1268 11.1268 11.5651 11.5651 13.9889 13.9889 14.0027 14.0027 k =-0.1805 0.3096 0.3583 ( 2742 PWs) bands (ev): -29.7444 -29.7444 -11.0820 -11.0820 -10.7303 -10.7303 -10.6735 -10.6735 0.6404 0.6404 3.2950 3.2950 5.4585 5.4585 6.5852 6.5852 7.0401 7.0401 7.2263 7.2263 7.7032 7.7032 7.7765 7.7765 7.9022 7.9022 8.4443 8.4443 8.5072 8.5072 8.5393 8.5393 8.6892 8.6892 9.4458 9.4458 10.0420 10.0420 11.1631 11.1631 11.4782 11.4782 13.9476 13.9476 14.0013 14.0013 k =-0.1742 0.2989 0.3460 ( 2750 PWs) bands (ev): -29.7445 -29.7445 -11.0809 -11.0809 -10.7288 -10.7288 -10.6738 -10.6738 0.5817 0.5817 3.3456 3.3456 5.4770 5.4770 6.5742 6.5742 7.0357 7.0357 7.2573 7.2573 7.7198 7.7198 7.7750 7.7750 7.8783 7.8783 8.4674 8.4674 8.5309 8.5309 8.5601 8.5601 8.7080 8.7080 9.3939 9.3939 10.0425 10.0425 11.2005 11.2005 11.3926 11.3926 13.8874 13.8874 14.0129 14.0129 k =-0.1680 0.2882 0.3336 ( 2746 PWs) bands (ev): -29.7447 -29.7447 -11.0797 -11.0797 -10.7271 -10.7271 -10.6741 -10.6741 0.5236 0.5236 3.3937 3.3937 5.4907 5.4907 6.5690 6.5690 7.0319 7.0319 7.2906 7.2906 7.7319 7.7319 7.7789 7.7789 7.8564 7.8564 8.4904 8.4904 8.5530 8.5530 8.5828 8.5828 8.7275 8.7275 9.3444 9.3444 10.0466 10.0466 11.2384 11.2384 11.3092 11.3092 13.8214 13.8214 14.0268 14.0268 k =-0.1618 0.2775 0.3213 ( 2746 PWs) bands (ev): -29.7448 -29.7448 -11.0785 -11.0785 -10.7253 -10.7253 -10.6744 -10.6744 0.4664 0.4664 3.4389 3.4389 5.4990 5.4990 6.5695 6.5695 7.0288 7.0288 7.3256 7.3256 7.7373 7.7373 7.7885 7.7885 7.8386 7.8386 8.5132 8.5132 8.5735 8.5735 8.6072 8.6072 8.7473 8.7473 9.2972 9.2972 10.0543 10.0543 11.2217 11.2217 11.2830 11.2830 13.7515 13.7515 14.0425 14.0425 k =-0.1556 0.2669 0.3089 ( 2754 PWs) bands (ev): -29.7450 -29.7450 -11.0772 -11.0772 -10.7235 -10.7235 -10.6747 -10.6747 0.4102 0.4102 3.4814 3.4814 5.5018 5.5018 6.5760 6.5760 7.0264 7.0264 7.3618 7.3618 7.7364 7.7364 7.7983 7.7983 7.8304 7.8304 8.5355 8.5355 8.5928 8.5928 8.6326 8.6326 8.7675 8.7675 9.2526 9.2526 10.0657 10.0657 11.1413 11.1413 11.3232 11.3232 13.6791 13.6791 14.0601 14.0601 k =-0.1494 0.2562 0.2965 ( 2754 PWs) bands (ev): -29.7452 -29.7452 -11.0760 -11.0760 -10.7216 -10.7216 -10.6751 -10.6751 0.3552 0.3552 3.5209 3.5209 5.4993 5.4993 6.5880 6.5880 7.0246 7.0246 7.3985 7.3985 7.7292 7.7292 7.8019 7.8019 7.8389 7.8389 8.5573 8.5573 8.6114 8.6114 8.6586 8.6586 8.7878 8.7878 9.2111 9.2111 10.0813 10.0813 11.0608 11.0608 11.3659 11.3659 13.6053 13.6053 14.0794 14.0794 k =-0.1431 0.2455 0.2842 ( 2750 PWs) bands (ev): -29.7454 -29.7454 -11.0746 -11.0746 -10.7196 -10.7196 -10.6754 -10.6754 0.3015 0.3015 3.5577 3.5577 5.4919 5.4919 6.6052 6.6052 7.0236 7.0236 7.4346 7.4346 7.7162 7.7162 7.8073 7.8073 7.8562 7.8562 8.5781 8.5781 8.6297 8.6297 8.6848 8.6848 8.8081 8.8081 9.1730 9.1730 10.1011 10.1011 10.9815 10.9815 11.4100 11.4100 13.5310 13.5310 14.1004 14.1004 k =-0.1369 0.2348 0.2718 ( 2752 PWs) bands (ev): -29.7455 -29.7455 -11.0734 -11.0734 -10.7175 -10.7175 -10.6758 -10.6758 0.2492 0.2492 3.5915 3.5915 5.4802 5.4802 6.6267 6.6267 7.0232 7.0232 7.4690 7.4690 7.6993 7.6993 7.8194 7.8194 7.8760 7.8760 8.5974 8.5974 8.6477 8.6477 8.7110 8.7110 8.8282 8.8282 9.1387 9.1387 10.1252 10.1252 10.9035 10.9035 11.4554 11.4554 13.4566 13.4566 14.1228 14.1228 k =-0.1307 0.2242 0.2595 ( 2750 PWs) bands (ev): -29.7457 -29.7457 -11.0721 -11.0721 -10.7154 -10.7154 -10.6761 -10.6761 0.1986 0.1986 3.6225 3.6225 5.4648 5.4648 6.6517 6.6517 7.0233 7.0233 7.5005 7.5005 7.6807 7.6807 7.8385 7.8385 7.8966 7.8966 8.6148 8.6148 8.6659 8.6659 8.7371 8.7371 8.8481 8.8481 9.1089 9.1089 10.1539 10.1539 10.8268 10.8268 11.5019 11.5019 13.3828 13.3828 14.1467 14.1467 k =-0.1245 0.2135 0.2471 ( 2748 PWs) bands (ev): -29.7459 -29.7459 -11.0708 -11.0708 -10.7132 -10.7132 -10.6765 -10.6765 0.1496 0.1496 3.6508 3.6508 5.4465 5.4465 6.6794 6.6794 7.0241 7.0241 7.5276 7.5276 7.6623 7.6623 7.8641 7.8641 7.9175 7.9175 8.6293 8.6293 8.6845 8.6845 8.7627 8.7627 8.8678 8.8678 9.0844 9.0844 10.1872 10.1872 10.7513 10.7513 11.5494 11.5494 13.3099 13.3099 14.1717 14.1717 k =-0.1182 0.2028 0.2348 ( 2744 PWs) bands (ev): -29.7461 -29.7461 -11.0695 -11.0695 -10.7111 -10.7111 -10.6769 -10.6769 0.1025 0.1025 3.6764 3.6764 5.4260 5.4260 6.7090 6.7090 7.0254 7.0254 7.5492 7.5492 7.6455 7.6455 7.8954 7.8954 7.9383 7.9383 8.6405 8.6405 8.7036 8.7036 8.7879 8.7879 8.8873 8.8873 9.0660 9.0660 10.2252 10.2252 10.6772 10.6772 11.5979 11.5979 13.2383 13.2383 14.1976 14.1976 k =-0.1120 0.1921 0.2224 ( 2740 PWs) bands (ev): -29.7463 -29.7463 -11.0683 -11.0683 -10.7089 -10.7089 -10.6772 -10.6772 0.0572 0.0572 3.6994 3.6994 5.4039 5.4039 6.7398 6.7398 7.0273 7.0273 7.5628 7.5628 7.6331 7.6331 7.9311 7.9311 7.9589 7.9589 8.6481 8.6481 8.7229 8.7229 8.8123 8.8123 8.9069 8.9069 9.0543 9.0543 10.2678 10.2678 10.6045 10.6045 11.6471 11.6471 13.1681 13.1681 14.2243 14.2243 k =-0.1058 0.1815 0.2101 ( 2736 PWs) bands (ev): -29.7464 -29.7464 -11.0671 -11.0671 -10.7067 -10.7067 -10.6776 -10.6776 0.0140 0.0140 3.7201 3.7201 5.3808 5.3808 6.7710 6.7710 7.0297 7.0297 7.5648 7.5648 7.6296 7.6296 7.9693 7.9693 7.9794 7.9794 8.6519 8.6519 8.7425 8.7425 8.8356 8.8356 8.9271 8.9271 9.0501 9.0501 10.3149 10.3149 10.5333 10.5333 11.6971 11.6971 13.0995 13.0995 14.2513 14.2513 k =-0.0996 0.1708 0.1977 ( 2732 PWs) bands (ev): -29.7466 -29.7466 -11.0659 -11.0659 -10.7045 -10.7045 -10.6779 -10.6779 -0.0272 -0.0272 3.7385 3.7385 5.3573 5.3573 6.8022 6.8022 7.0327 7.0327 7.5557 7.5557 7.6350 7.6350 7.9979 7.9979 8.0099 8.0099 8.6525 8.6525 8.7620 8.7620 8.8574 8.8574 8.9484 8.9484 9.0536 9.0536 10.3655 10.3655 10.4642 10.4642 11.7475 11.7475 13.0327 13.0327 14.2781 14.2781 k =-0.0933 0.1601 0.1853 ( 2728 PWs) bands (ev): -29.7468 -29.7468 -11.0648 -11.0648 -10.7023 -10.7023 -10.6783 -10.6783 -0.0662 -0.0662 3.7548 3.7548 5.3336 5.3336 6.8327 6.8327 7.0360 7.0360 7.5413 7.5413 7.6445 7.6445 8.0172 8.0172 8.0482 8.0482 8.6507 8.6507 8.7812 8.7812 8.8771 8.8771 8.9712 8.9712 9.0647 9.0647 10.3882 10.3882 10.4285 10.4285 11.7981 11.7981 12.9678 12.9678 14.3041 14.3041 k =-0.0871 0.1494 0.1730 ( 2732 PWs) bands (ev): -29.7469 -29.7469 -11.0638 -11.0638 -10.7003 -10.7003 -10.6787 -10.6787 -0.1031 -0.1031 3.7691 3.7691 5.3103 5.3103 6.8623 6.8623 7.0399 7.0399 7.5251 7.5251 7.6550 7.6550 8.0355 8.0355 8.0841 8.0841 8.6475 8.6475 8.7997 8.7997 8.8945 8.8945 8.9960 8.9960 9.0832 9.0832 10.3247 10.3247 10.4840 10.4840 11.8488 11.8488 12.9047 12.9047 14.3284 14.3284 k =-0.0809 0.1388 0.1606 ( 2732 PWs) bands (ev): -29.7471 -29.7471 -11.0628 -11.0628 -10.6983 -10.6983 -10.6790 -10.6790 -0.1376 -0.1376 3.7817 3.7817 5.2876 5.2876 6.8905 6.8905 7.0442 7.0442 7.5085 7.5085 7.6657 7.6657 8.0529 8.0529 8.1159 8.1159 8.6441 8.6441 8.8173 8.8173 8.9095 8.9095 9.0229 9.0229 9.1086 9.1086 10.2590 10.2590 10.5463 10.5463 11.8993 11.8993 12.8437 12.8437 14.3497 14.3497 k =-0.0747 0.1281 0.1483 ( 2724 PWs) bands (ev): -29.7472 -29.7472 -11.0619 -11.0619 -10.6963 -10.6963 -10.6793 -10.6793 -0.1698 -0.1698 3.7926 3.7926 5.2658 5.2658 6.9172 6.9172 7.0490 7.0490 7.4921 7.4921 7.6762 7.6762 8.0693 8.0693 8.1427 8.1427 8.6415 8.6415 8.8340 8.8340 8.9222 8.9222 9.0518 9.0518 9.1403 9.1403 10.1944 10.1944 10.6117 10.6117 11.9492 11.9492 12.7846 12.7846 14.3658 14.3658 k =-0.0685 0.1174 0.1359 ( 2732 PWs) bands (ev): -29.7474 -29.7474 -11.0611 -11.0611 -10.6945 -10.6945 -10.6796 -10.6796 -0.1996 -0.1996 3.8020 3.8020 5.2451 5.2451 6.9419 6.9419 7.0541 7.0541 7.4762 7.4762 7.6865 7.6865 8.0846 8.0846 8.1638 8.1638 8.6401 8.6401 8.8493 8.8493 8.9327 8.9327 9.0826 9.0826 9.1772 9.1772 10.1310 10.1310 10.6792 10.6792 11.9982 11.9982 12.7275 12.7275 14.3739 14.3739 k =-0.0622 0.1067 0.1236 ( 2733 PWs) bands (ev): -29.7475 -29.7475 -11.0603 -11.0603 -10.6928 -10.6928 -10.6799 -10.6799 -0.2269 -0.2269 3.8100 3.8100 5.2256 5.2256 6.9646 6.9646 7.0596 7.0596 7.4610 7.4610 7.6965 7.6965 8.0986 8.0986 8.1793 8.1793 8.6404 8.6404 8.8633 8.8633 8.9414 8.9414 9.1152 9.1152 9.2185 9.2185 10.0689 10.0689 10.7481 10.7481 12.0458 12.0458 12.6725 12.6725 14.3699 14.3699 k =-0.0560 0.0961 0.1112 ( 2731 PWs) bands (ev): -29.7476 -29.7476 -11.0596 -11.0596 -10.6912 -10.6912 -10.6801 -10.6801 -0.2518 -0.2518 3.8168 3.8168 5.2077 5.2077 6.9850 6.9850 7.0654 7.0654 7.4467 7.4467 7.7061 7.7061 8.1113 8.1113 8.1897 8.1897 8.6422 8.6422 8.8761 8.8761 8.9486 8.9486 9.1493 9.1493 9.2627 9.2627 10.0081 10.0081 10.8174 10.8174 12.0917 12.0917 12.6197 12.6197 14.3502 14.3502 k =-0.0498 0.0854 0.0988 ( 2727 PWs) bands (ev): -29.7478 -29.7478 -11.0589 -11.0589 -10.6898 -10.6898 -10.6803 -10.6803 -0.2741 -0.2741 3.8226 3.8226 5.1913 5.1913 7.0030 7.0030 7.0717 7.0717 7.4333 7.4333 7.7154 7.7154 8.1224 8.1224 8.1958 8.1958 8.6454 8.6454 8.8874 8.8874 8.9545 8.9545 9.1849 9.1849 9.3083 9.3083 9.9487 9.9487 10.8861 10.8861 12.1352 12.1352 12.5693 12.5693 14.3139 14.3139 k =-0.0436 0.0747 0.0865 ( 2737 PWs) bands (ev): -29.7479 -29.7479 -11.0584 -11.0584 -10.6886 -10.6886 -10.6804 -10.6804 -0.2939 -0.2939 3.8274 3.8274 5.1765 5.1765 7.0183 7.0183 7.0781 7.0781 7.4211 7.4211 7.7242 7.7242 8.1318 8.1318 8.1988 8.1988 8.6492 8.6492 8.8972 8.8972 8.9593 8.9593 9.2219 9.2219 9.3536 9.3536 9.8906 9.8906 10.9529 10.9529 12.1758 12.1758 12.5215 12.5215 14.2647 14.2647 k =-0.0373 0.0640 0.0741 ( 2733 PWs) bands (ev): -29.7479 -29.7479 -11.0578 -11.0578 -10.6874 -10.6874 -10.6805 -10.6805 -0.3112 -0.3112 3.8314 3.8314 5.1636 5.1636 7.0310 7.0310 7.0847 7.0847 7.4102 7.4102 7.7324 7.7324 8.1394 8.1394 8.1998 8.1998 8.6534 8.6534 8.9058 8.9058 8.9632 8.9632 9.2604 9.2604 9.3972 9.3972 9.8340 9.8340 11.0165 11.0165 12.2129 12.2129 12.4768 12.4768 14.2093 14.2093 k =-0.0311 0.0534 0.0618 ( 2741 PWs) bands (ev): -29.7480 -29.7480 -11.0575 -11.0575 -10.6866 -10.6866 -10.6806 -10.6806 -0.3258 -0.3258 3.8345 3.8345 5.1526 5.1526 7.0413 7.0413 7.0912 7.0912 7.4006 7.4006 7.7397 7.7397 8.1449 8.1449 8.2000 8.2000 8.6574 8.6574 8.9130 8.9130 8.9662 8.9662 9.3001 9.3001 9.4372 9.4372 9.7786 9.7786 11.0753 11.0753 12.2458 12.2458 12.4359 12.4359 14.1538 14.1538 k =-0.0249 0.0427 0.0494 ( 2737 PWs) bands (ev): -29.7481 -29.7481 -11.0571 -11.0571 -10.6858 -10.6858 -10.6806 -10.6806 -0.3378 -0.3378 3.8370 3.8370 5.1435 5.1435 7.0492 7.0492 7.0973 7.0973 7.3925 7.3925 7.7459 7.7459 8.1484 8.1484 8.2000 8.2000 8.6612 8.6612 8.9190 8.9190 8.9686 8.9686 9.3414 9.3414 9.4724 9.4724 9.7248 9.7248 11.1275 11.1275 12.2739 12.2739 12.3997 12.3997 14.1032 14.1032 k =-0.0187 0.0320 0.0371 ( 2733 PWs) bands (ev): -29.7481 -29.7481 -11.0568 -11.0568 -10.6853 -10.6853 -10.6806 -10.6806 -0.3471 -0.3471 3.8389 3.8389 5.1363 5.1363 7.0552 7.0552 7.1024 7.1024 7.3860 7.3860 7.7511 7.7511 8.1501 8.1501 8.2003 8.2003 8.6643 8.6643 8.9236 8.9236 8.9704 8.9704 9.3839 9.3839 9.5013 9.5013 9.6726 9.6726 11.1711 11.1711 12.2964 12.2964 12.3695 12.3695 14.0609 14.0609 k =-0.0124 0.0213 0.0247 ( 2731 PWs) bands (ev): -29.7482 -29.7482 -11.0566 -11.0566 -10.6849 -10.6849 -10.6806 -10.6806 -0.3538 -0.3538 3.8402 3.8402 5.1312 5.1312 7.0592 7.0592 7.1063 7.1063 7.3813 7.3813 7.7550 7.7550 8.1507 8.1507 8.2007 8.2007 8.6667 8.6667 8.9269 8.9269 8.9716 8.9716 9.4276 9.4276 9.5228 9.5228 9.6220 9.6220 11.2042 11.2042 12.3129 12.3129 12.3466 12.3466 14.0291 14.0291 k =-0.0062 0.0107 0.0124 ( 2731 PWs) bands (ev): -29.7482 -29.7482 -11.0565 -11.0565 -10.6847 -10.6847 -10.6805 -10.6805 -0.3578 -0.3578 3.8410 3.8410 5.1281 5.1281 7.0615 7.0615 7.1087 7.1087 7.3784 7.3784 7.7574 7.7574 8.1508 8.1508 8.2011 8.2011 8.6681 8.6681 8.9288 8.9288 8.9723 8.9723 9.4715 9.4715 9.5361 9.5361 9.5740 9.5740 11.2250 11.2250 12.3220 12.3220 12.3331 12.3331 14.0095 14.0095 k = 0.0000 0.0000 0.0000 ( 2735 PWs) bands (ev): -29.7482 -29.7482 -11.0565 -11.0565 -10.6846 -10.6846 -10.6806 -10.6806 -0.3591 -0.3591 3.8413 3.8413 5.1271 5.1271 7.0622 7.0622 7.1095 7.1095 7.3775 7.3775 7.7582 7.7582 8.1507 8.1507 8.2013 8.2013 8.6685 8.6685 8.9295 8.9295 8.9725 8.9725 9.5034 9.5034 9.5394 9.5394 9.5418 9.5418 11.2320 11.2320 12.3232 12.3232 12.3304 12.3304 14.0029 14.0029 k = 0.0000 0.0000 0.0000 ( 2735 PWs) bands (ev): -29.7482 -29.7482 -11.0565 -11.0565 -10.6846 -10.6846 -10.6806 -10.6806 -0.3591 -0.3591 3.8413 3.8413 5.1271 5.1271 7.0622 7.0622 7.1095 7.1095 7.3775 7.3775 7.7582 7.7582 8.1507 8.1507 8.2013 8.2013 8.6685 8.6685 8.9295 8.9295 8.9725 8.9725 9.5034 9.5034 9.5394 9.5394 9.5418 9.5418 11.2320 11.2320 12.3232 12.3232 12.3304 12.3304 14.0029 14.0029 k = 0.0152 0.0088 0.0000 ( 2727 PWs) bands (ev): -29.7482 -29.7482 -11.0564 -11.0564 -10.6846 -10.6846 -10.6805 -10.6805 -0.3577 -0.3577 3.8323 3.8323 5.1343 5.1343 7.0625 7.0625 7.1098 7.1098 7.3775 7.3775 7.7578 7.7578 8.1503 8.1503 8.2006 8.2006 8.6674 8.6674 8.9295 8.9295 8.9756 8.9756 9.5034 9.5034 9.5392 9.5392 9.5417 9.5417 11.2332 11.2332 12.3259 12.3259 12.3332 12.3332 14.0055 14.0055 k = 0.0303 0.0177 0.0000 ( 2735 PWs) bands (ev): -29.7482 -29.7482 -11.0565 -11.0565 -10.6846 -10.6846 -10.6807 -10.6807 -0.3535 -0.3535 3.8060 3.8060 5.1552 5.1552 7.0630 7.0630 7.1103 7.1103 7.3777 7.3777 7.7564 7.7564 8.1489 8.1489 8.1988 8.1988 8.6632 8.6632 8.9297 8.9297 8.9846 8.9846 9.5034 9.5034 9.5386 9.5386 9.5413 9.5413 11.2365 11.2365 12.3341 12.3341 12.3414 12.3414 14.0133 14.0133 k = 0.0455 0.0265 0.0000 ( 2735 PWs) bands (ev): -29.7482 -29.7482 -11.0566 -11.0566 -10.6846 -10.6846 -10.6808 -10.6808 -0.3465 -0.3465 3.7643 3.7643 5.1881 5.1881 7.0639 7.0639 7.1113 7.1113 7.3779 7.3779 7.7543 7.7543 8.1466 8.1466 8.1958 8.1958 8.6570 8.6570 8.9299 8.9299 8.9997 8.9997 9.5034 9.5034 9.5376 9.5376 9.5406 9.5406 11.2419 11.2419 12.3477 12.3477 12.3551 12.3551 14.0263 14.0263 k = 0.0606 0.0353 0.0000 ( 2727 PWs) bands (ev): -29.7482 -29.7482 -11.0566 -11.0566 -10.6846 -10.6846 -10.6809 -10.6809 -0.3367 -0.3367 3.7094 3.7094 5.2304 5.2304 7.0653 7.0653 7.1128 7.1128 7.3783 7.3783 7.7515 7.7515 8.1434 8.1434 8.1916 8.1916 8.6485 8.6485 8.9302 8.9302 9.0209 9.0209 9.5034 9.5034 9.5364 9.5364 9.5397 9.5397 11.2494 11.2494 12.3667 12.3667 12.3743 12.3743 14.0446 14.0446 k = 0.0758 0.0442 0.0000 ( 2727 PWs) bands (ev): -29.7482 -29.7482 -11.0567 -11.0567 -10.6846 -10.6846 -10.6811 -10.6811 -0.3240 -0.3240 3.6437 3.6437 5.2796 5.2796 7.0669 7.0669 7.1145 7.1145 7.3788 7.3788 7.7482 7.7482 8.1392 8.1392 8.1862 8.1862 8.6377 8.6377 8.9306 8.9306 9.0481 9.0481 9.5033 9.5033 9.5348 9.5348 9.5387 9.5387 11.2588 11.2588 12.3909 12.3909 12.3986 12.3986 14.0682 14.0682 k = 0.0909 0.0530 0.0000 ( 2707 PWs) bands (ev): -29.7482 -29.7482 -11.0567 -11.0567 -10.6846 -10.6846 -10.6812 -10.6812 -0.3087 -0.3087 3.5697 3.5697 5.3333 5.3333 7.0690 7.0690 7.1168 7.1168 7.3794 7.3794 7.7446 7.7446 8.1343 8.1343 8.1799 8.1799 8.6250 8.6250 8.9310 8.9310 9.0816 9.0816 9.5034 9.5034 9.5332 9.5332 9.5376 9.5376 11.2698 11.2698 12.4203 12.4203 12.4282 12.4282 14.0969 14.0969 k = 0.1061 0.0618 0.0000 ( 2715 PWs) bands (ev): -29.7482 -29.7482 -11.0568 -11.0568 -10.6846 -10.6846 -10.6815 -10.6815 -0.2905 -0.2905 3.4891 3.4891 5.3895 5.3895 7.0712 7.0712 7.1192 7.1192 7.3801 7.3801 7.7407 7.7407 8.1283 8.1283 8.1723 8.1723 8.6105 8.6105 8.9314 8.9314 9.1208 9.1208 9.5033 9.5033 9.5315 9.5315 9.5363 9.5363 11.2823 11.2823 12.4545 12.4545 12.4626 12.4626 14.1309 14.1309 k = 0.1212 0.0707 0.0000 ( 2723 PWs) bands (ev): -29.7482 -29.7482 -11.0570 -11.0570 -10.6847 -10.6847 -10.6818 -10.6818 -0.2696 -0.2696 3.4034 3.4034 5.4464 5.4464 7.0737 7.0737 7.1219 7.1219 7.3808 7.3808 7.7369 7.7369 8.1213 8.1213 8.1638 8.1638 8.5944 8.5944 8.9317 8.9317 9.1660 9.1660 9.5032 9.5032 9.5298 9.5298 9.5351 9.5351 11.2961 11.2961 12.4935 12.4935 12.5019 12.5019 14.1701 14.1701 k = 0.1364 0.0795 0.0000 ( 2744 PWs) bands (ev): -29.7482 -29.7482 -11.0572 -11.0572 -10.6848 -10.6848 -10.6822 -10.6822 -0.2460 -0.2460 3.3139 3.3139 5.5028 5.5028 7.0766 7.0766 7.1252 7.1252 7.3815 7.3815 7.7334 7.7334 8.1133 8.1133 8.1541 8.1541 8.5769 8.5769 8.9319 8.9319 9.2169 9.2169 9.5030 9.5030 9.5283 9.5283 9.5337 9.5337 11.3109 11.3109 12.5371 12.5371 12.5458 12.5458 14.2145 14.2146 k = 0.1515 0.0883 0.0000 ( 2744 PWs) bands (ev): -29.7482 -29.7482 -11.0574 -11.0574 -10.6848 -10.6848 -10.6825 -10.6825 -0.2196 -0.2196 3.2216 3.2216 5.5576 5.5576 7.0799 7.0799 7.1287 7.1287 7.3824 7.3824 7.7303 7.7303 8.1046 8.1046 8.1437 8.1437 8.5584 8.5584 8.9323 8.9323 9.2733 9.2733 9.5029 9.5029 9.5278 9.5278 9.5327 9.5327 11.3265 11.3265 12.5851 12.5851 12.5940 12.5940 14.2641 14.2641 k = 0.1667 0.0972 0.0000 ( 2744 PWs) bands (ev): -29.7482 -29.7482 -11.0576 -11.0576 -10.6849 -10.6849 -10.6829 -10.6829 -0.1906 -0.1906 3.1271 3.1271 5.6100 5.6100 7.0835 7.0835 7.1327 7.1327 7.3833 7.3833 7.7277 7.7277 8.0952 8.0952 8.1325 8.1325 8.5389 8.5389 8.9326 8.9326 9.3345 9.3345 9.5028 9.5028 9.5287 9.5287 9.5318 9.5318 11.3427 11.3427 12.6372 12.6372 12.6465 12.6465 14.3189 14.3190 k = 0.1818 0.1060 0.0000 ( 2744 PWs) bands (ev): -29.7481 -29.7481 -11.0578 -11.0578 -10.6849 -10.6849 -10.6832 -10.6832 -0.1590 -0.1590 3.0310 3.0310 5.6594 5.6594 7.0873 7.0873 7.1369 7.1369 7.3844 7.3844 7.7258 7.7258 8.0851 8.0851 8.1205 8.1205 8.5188 8.5188 8.9329 8.9329 9.3979 9.3979 9.5025 9.5025 9.5308 9.5308 9.5341 9.5341 11.3592 11.3592 12.6932 12.6932 12.7028 12.7028 14.2993 14.2993 k = 0.1970 0.1148 0.0000 ( 2744 PWs) bands (ev): -29.7481 -29.7481 -11.0580 -11.0580 -10.6851 -10.6851 -10.6835 -10.6835 -0.1247 -0.1247 2.9339 2.9339 5.7053 5.7053 7.0914 7.0914 7.1414 7.1414 7.3854 7.3854 7.7247 7.7247 8.0743 8.0743 8.1080 8.1080 8.4982 8.4982 8.9331 8.9331 9.4544 9.4544 9.5023 9.5023 9.5304 9.5304 9.5523 9.5523 11.3759 11.3759 12.7528 12.7528 12.7628 12.7628 14.2528 14.2528 k = 0.2121 0.1237 0.0000 ( 2752 PWs) bands (ev): -29.7481 -29.7481 -11.0582 -11.0582 -10.6853 -10.6853 -10.6838 -10.6838 -0.0879 -0.0879 2.8361 2.8361 5.7472 5.7472 7.0957 7.0957 7.1462 7.1462 7.3866 7.3866 7.7241 7.7241 8.0631 8.0631 8.0950 8.0950 8.4771 8.4771 8.9335 8.9335 9.4854 9.4854 9.5018 9.5018 9.5303 9.5303 9.6022 9.6022 11.3924 11.3924 12.8159 12.8159 12.8262 12.8262 14.2087 14.2087 k = 0.2273 0.1325 0.0000 ( 2756 PWs) bands (ev): -29.7481 -29.7481 -11.0584 -11.0584 -10.6855 -10.6855 -10.6841 -10.6841 -0.0485 -0.0485 2.7380 2.7380 5.7853 5.7853 7.1003 7.1003 7.1513 7.1513 7.3877 7.3877 7.7245 7.7245 8.0514 8.0514 8.0815 8.0815 8.4562 8.4562 8.9335 8.9335 9.4957 9.4957 9.5014 9.5014 9.5303 9.5303 9.6788 9.6788 11.4087 11.4087 12.8820 12.8820 12.8927 12.8927 14.1672 14.1672 k = 0.2424 0.1413 0.0000 ( 2748 PWs) bands (ev): -29.7481 -29.7481 -11.0586 -11.0586 -10.6858 -10.6858 -10.6842 -10.6842 -0.0066 -0.0066 2.6398 2.6398 5.8195 5.8195 7.1050 7.1050 7.1566 7.1566 7.3888 7.3888 7.7255 7.7255 8.0394 8.0394 8.0678 8.0678 8.4355 8.4355 8.9337 8.9337 9.4995 9.4995 9.5011 9.5011 9.5306 9.5306 9.7678 9.7678 11.4247 11.4247 12.9508 12.9508 12.9619 12.9619 14.1284 14.1284 k = 0.2576 0.1502 0.0000 ( 2736 PWs) bands (ev): -29.7481 -29.7481 -11.0587 -11.0587 -10.6861 -10.6861 -10.6843 -10.6843 0.0378 0.0378 2.5417 2.5417 5.8497 5.8497 7.1099 7.1099 7.1621 7.1621 7.3900 7.3900 7.7273 7.7273 8.0272 8.0272 8.0539 8.0539 8.4151 8.4151 8.9339 8.9339 9.5010 9.5010 9.5013 9.5013 9.5311 9.5311 9.8641 9.8641 11.4402 11.4402 13.0221 13.0221 13.0336 13.0336 14.0921 14.0921 k = 0.2727 0.1590 0.0000 ( 2736 PWs) bands (ev): -29.7481 -29.7481 -11.0589 -11.0589 -10.6865 -10.6865 -10.6844 -10.6844 0.0846 0.0846 2.4441 2.4441 5.8761 5.8761 7.1149 7.1149 7.1678 7.1678 7.3911 7.3911 7.7295 7.7295 8.0149 8.0149 8.0399 8.0399 8.3952 8.3952 8.9340 8.9340 9.5009 9.5009 9.5021 9.5021 9.5319 9.5319 9.9661 9.9661 11.4550 11.4550 13.0955 13.0955 13.1072 13.1072 14.0585 14.0585 k = 0.2879 0.1678 0.0000 ( 2728 PWs) bands (ev): -29.7481 -29.7481 -11.0591 -11.0591 -10.6868 -10.6868 -10.6844 -10.6844 0.1337 0.1337 2.3469 2.3469 5.8989 5.8989 7.1202 7.1202 7.1737 7.1737 7.3922 7.3922 7.7319 7.7319 8.0027 8.0027 8.0259 8.0259 8.3759 8.3759 8.9342 8.9342 9.5008 9.5008 9.5027 9.5027 9.5328 9.5328 10.0728 10.0728 11.4691 11.4691 13.1705 13.1705 13.1826 13.1826 14.0275 14.0275 k = 0.3030 0.1767 0.0000 ( 2724 PWs) bands (ev): -29.7481 -29.7481 -11.0593 -11.0593 -10.6872 -10.6872 -10.6845 -10.6845 0.1852 0.1852 2.2505 2.2505 5.9184 5.9184 7.1253 7.1253 7.1795 7.1795 7.3933 7.3933 7.7347 7.7347 7.9907 7.9907 8.0122 8.0122 8.3575 8.3575 8.9343 8.9343 9.5008 9.5008 9.5031 9.5031 9.5339 9.5339 10.1834 10.1834 11.4824 11.4824 13.2467 13.2467 13.2590 13.2590 13.9992 13.9992 k = 0.3182 0.1855 0.0000 ( 2732 PWs) bands (ev): -29.7480 -29.7480 -11.0595 -11.0595 -10.6876 -10.6876 -10.6845 -10.6845 0.2388 0.2388 2.1549 2.1549 5.9348 5.9348 7.1304 7.1304 7.1853 7.1853 7.3943 7.3943 7.7376 7.7376 7.9790 7.9790 7.9987 7.9987 8.3398 8.3398 8.9343 8.9343 9.5009 9.5009 9.5034 9.5034 9.5351 9.5351 10.2971 10.2971 11.4948 11.4948 13.3235 13.3235 13.3360 13.3360 13.9735 13.9735 k = 0.3333 0.1943 0.0000 ( 2736 PWs) bands (ev): -29.7480 -29.7480 -11.0597 -11.0597 -10.6880 -10.6880 -10.6846 -10.6846 0.2947 0.2947 2.0604 2.0604 5.9485 5.9485 7.1353 7.1353 7.1910 7.1910 7.3953 7.3953 7.7405 7.7405 7.9679 7.9679 7.9857 7.9857 8.3231 8.3231 8.9344 8.9344 9.5011 9.5011 9.5037 9.5037 9.5364 9.5364 10.4129 10.4129 11.5063 11.5063 13.4003 13.4003 13.4129 13.4129 13.9506 13.9506 k = 0.3485 0.2032 0.0000 ( 2732 PWs) bands (ev): -29.7480 -29.7480 -11.0599 -11.0599 -10.6884 -10.6884 -10.6846 -10.6846 0.3526 0.3526 1.9670 1.9670 5.9598 5.9598 7.1403 7.1403 7.1967 7.1967 7.3962 7.3962 7.7433 7.7433 7.9574 7.9574 7.9733 7.9733 8.3077 8.3077 8.9345 8.9345 9.5013 9.5013 9.5041 9.5041 9.5378 9.5378 10.5297 10.5297 11.5169 11.5169 13.4764 13.4764 13.4891 13.4891 13.9304 13.9304 k = 0.3636 0.2120 0.0000 ( 2732 PWs) bands (ev): -29.7480 -29.7480 -11.0601 -11.0601 -10.6887 -10.6887 -10.6846 -10.6846 0.4124 0.4124 1.8749 1.8749 5.9690 5.9690 7.1450 7.1450 7.2021 7.2021 7.3971 7.3971 7.7458 7.7458 7.9477 7.9477 7.9616 7.9616 8.2933 8.2933 8.9345 8.9345 9.5015 9.5015 9.5046 9.5046 9.5393 9.5393 10.6464 10.6464 11.5265 11.5265 13.5510 13.5510 13.5636 13.5636 13.9131 13.9131 k = 0.3788 0.2208 0.0000 ( 2732 PWs) bands (ev): -29.7480 -29.7480 -11.0602 -11.0602 -10.6891 -10.6891 -10.6846 -10.6846 0.4740 0.4740 1.7843 1.7843 5.9763 5.9763 7.1494 7.1494 7.2072 7.2072 7.3979 7.3979 7.7480 7.7480 7.9388 7.9388 7.9507 7.9507 8.2803 8.2803 8.9346 8.9346 9.5017 9.5017 9.5051 9.5051 9.5407 9.5407 10.7613 10.7613 11.5351 11.5351 13.6230 13.6230 13.6354 13.6354 13.8989 13.8989 k = 0.3939 0.2297 0.0000 ( 2732 PWs) bands (ev): -29.7480 -29.7480 -11.0603 -11.0603 -10.6893 -10.6893 -10.6846 -10.6846 0.5373 0.5373 1.6955 1.6955 5.9821 5.9821 7.1535 7.1535 7.2119 7.2119 7.3986 7.3986 7.7499 7.7499 7.9310 7.9310 7.9408 7.9408 8.2686 8.2686 8.9347 8.9347 9.5018 9.5018 9.5057 9.5057 9.5420 9.5420 10.8728 10.8728 11.5427 11.5427 13.6916 13.6916 13.7032 13.7032 13.8881 13.8881 k = 0.4091 0.2385 0.0000 ( 2732 PWs) bands (ev): -29.7480 -29.7480 -11.0605 -11.0605 -10.6896 -10.6896 -10.6846 -10.6846 0.6018 0.6018 1.6087 1.6087 5.9866 5.9866 7.1572 7.1572 7.2163 7.2163 7.3993 7.3993 7.7513 7.7513 7.9242 7.9242 7.9320 7.9320 8.2583 8.2583 8.9347 8.9347 9.5019 9.5019 9.5063 9.5063 9.5433 9.5433 10.9786 10.9786 11.5493 11.5493 13.7552 13.7552 13.7651 13.7651 13.8815 13.8815 k = 0.4242 0.2473 0.0000 ( 2740 PWs) bands (ev): -29.7480 -29.7480 -11.0606 -11.0606 -10.6899 -10.6899 -10.6847 -10.6847 0.6671 0.6671 1.5245 1.5245 5.9900 5.9900 7.1604 7.1604 7.2200 7.2200 7.3998 7.3998 7.7524 7.7524 7.9185 7.9185 7.9243 7.9243 8.2496 8.2496 8.9347 8.9347 9.5018 9.5018 9.5068 9.5068 9.5444 9.5444 11.0762 11.0762 11.5549 11.5549 13.8125 13.8125 13.8175 13.8175 13.8816 13.8816 k = 0.4394 0.2562 0.0000 ( 2752 PWs) bands (ev): -29.7480 -29.7480 -11.0607 -11.0607 -10.6901 -10.6901 -10.6847 -10.6847 0.7325 0.7325 1.4437 1.4437 5.9926 5.9926 7.1631 7.1631 7.2232 7.2232 7.4001 7.4001 7.7530 7.7530 7.9137 7.9137 7.9179 7.9179 8.2423 8.2423 8.9347 8.9347 9.5019 9.5019 9.5073 9.5073 9.5453 9.5453 11.1626 11.1626 11.5594 11.5594 13.8494 13.8494 13.8628 13.8628 13.8974 13.8974 k = 0.4545 0.2650 0.0000 ( 2752 PWs) bands (ev): -29.7480 -29.7480 -11.0608 -11.0608 -10.6902 -10.6902 -10.6847 -10.6847 0.7962 0.7962 1.3680 1.3680 5.9944 5.9944 7.1653 7.1653 7.2258 7.2258 7.4004 7.4004 7.7534 7.7534 7.9102 7.9102 7.9128 7.9128 8.2367 8.2367 8.9347 8.9347 9.5019 9.5019 9.5077 9.5077 9.5461 9.5461 11.2347 11.2347 11.5629 11.5629 13.8613 13.8613 13.9034 13.9034 13.9279 13.9279 k = 0.4697 0.2738 0.0000 ( 2744 PWs) bands (ev): -29.7480 -29.7480 -11.0608 -11.0608 -10.6903 -10.6903 -10.6847 -10.6847 0.8549 0.8549 1.3007 1.3007 5.9956 5.9956 7.1669 7.1669 7.2277 7.2277 7.4008 7.4008 7.7537 7.7537 7.9077 7.9077 7.9092 7.9092 8.2326 8.2326 8.9349 8.9349 9.5019 9.5019 9.5081 9.5081 9.5468 9.5468 11.2893 11.2893 11.5655 11.5655 13.8681 13.8681 13.9336 13.9336 13.9553 13.9553 k = 0.4848 0.2827 0.0000 ( 2748 PWs) bands (ev): -29.7480 -29.7480 -11.0609 -11.0609 -10.6904 -10.6904 -10.6847 -10.6847 0.9007 0.9007 1.2497 1.2497 5.9962 5.9962 7.1678 7.1678 7.2288 7.2288 7.4010 7.4010 7.7539 7.7539 7.9061 7.9061 7.9071 7.9071 8.2301 8.2301 8.9349 8.9349 9.5019 9.5019 9.5083 9.5083 9.5471 9.5471 11.3234 11.3234 11.5670 11.5670 13.8734 13.8734 13.9523 13.9523 13.9730 13.9730 k = 0.5000 0.2915 0.0000 ( 2748 PWs) bands (ev): -29.7480 -29.7480 -11.0609 -11.0609 -10.6904 -10.6904 -10.6847 -10.6847 0.9194 0.9194 1.2293 1.2293 5.9964 5.9964 7.1682 7.1682 7.2292 7.2292 7.4010 7.4010 7.7539 7.7539 7.9055 7.9055 7.9064 7.9064 8.2293 8.2293 8.9349 8.9349 9.5019 9.5019 9.5083 9.5083 9.5472 9.5472 11.3350 11.3350 11.5675 11.5675 13.8755 13.8755 13.9586 13.9586 13.9791 13.9791 k = 0.5000 0.2915 0.0000 ( 2748 PWs) bands (ev): -29.7480 -29.7480 -11.0609 -11.0609 -10.6904 -10.6904 -10.6847 -10.6847 0.9194 0.9194 1.2293 1.2293 5.9964 5.9964 7.1682 7.1682 7.2292 7.2292 7.4010 7.4010 7.7539 7.7539 7.9055 7.9055 7.9064 7.9064 8.2293 8.2293 8.9349 8.9349 9.5019 9.5019 9.5083 9.5083 9.5472 9.5472 11.3350 11.3350 11.5675 11.5675 13.8755 13.8755 13.9586 13.9586 13.9791 13.9791 k = 0.4937 0.3023 0.0125 ( 2746 PWs) bands (ev): -29.7480 -29.7480 -11.0609 -11.0609 -10.6904 -10.6904 -10.6848 -10.6848 0.9206 0.9206 1.2301 1.2301 5.9967 5.9967 7.1680 7.1680 7.2290 7.2290 7.4017 7.4017 7.7537 7.7537 7.9002 7.9002 7.9051 7.9051 8.2324 8.2324 8.9342 8.9342 9.4707 9.4707 9.5172 9.5172 9.5638 9.5638 11.3374 11.3374 11.5735 11.5735 13.8769 13.8769 13.9466 13.9466 13.9742 13.9742 k = 0.4874 0.3131 0.0250 ( 2750 PWs) bands (ev): -29.7480 -29.7480 -11.0610 -11.0610 -10.6905 -10.6905 -10.6850 -10.6850 0.9243 0.9243 1.2325 1.2325 5.9975 5.9975 7.1675 7.1675 7.2284 7.2284 7.4036 7.4036 7.7530 7.7530 7.8839 7.8839 7.9025 7.9025 8.2409 8.2409 8.9322 8.9322 9.4332 9.4332 9.5015 9.5015 9.6002 9.6002 11.3442 11.3442 11.5915 11.5915 13.8763 13.8763 13.9076 13.9076 13.9732 13.9732 k = 0.4811 0.3238 0.0375 ( 2742 PWs) bands (ev): -29.7479 -29.7479 -11.0612 -11.0612 -10.6905 -10.6905 -10.6853 -10.6853 0.9304 0.9304 1.2366 1.2366 5.9989 5.9989 7.1667 7.1667 7.2275 7.2275 7.4070 7.4070 7.7508 7.7508 7.8594 7.8594 7.8984 7.8984 8.2536 8.2536 8.9288 8.9288 9.3957 9.3957 9.4723 9.4723 9.6405 9.6405 11.3540 11.3540 11.6213 11.6213 13.8275 13.8275 13.8978 13.8978 13.9757 13.9757 k = 0.4748 0.3346 0.0499 ( 2736 PWs) bands (ev): -29.7479 -29.7479 -11.0614 -11.0614 -10.6906 -10.6906 -10.6856 -10.6856 0.9389 0.9389 1.2422 1.2422 6.0005 6.0005 7.1655 7.1655 7.2263 7.2263 7.4116 7.4116 7.7444 7.7444 7.8308 7.8308 7.8929 7.8929 8.2685 8.2685 8.9243 8.9243 9.3585 9.3585 9.4334 9.4334 9.6822 9.6822 11.3656 11.3656 11.6622 11.6622 13.7477 13.7477 13.9075 13.9075 13.9800 13.9800 k = 0.4686 0.3454 0.0624 ( 2732 PWs) bands (ev): -29.7478 -29.7478 -11.0617 -11.0617 -10.6909 -10.6909 -10.6860 -10.6860 0.9498 0.9498 1.2494 1.2494 6.0024 6.0024 7.1639 7.1639 7.2249 7.2249 7.4174 7.4174 7.7275 7.7275 7.8059 7.8059 7.8863 7.8863 8.2845 8.2845 8.9183 8.9183 9.3219 9.3219 9.3877 9.3877 9.7245 9.7245 11.3779 11.3779 11.7124 11.7124 13.6572 13.6572 13.9196 13.9196 13.9855 13.9855 k = 0.4623 0.3562 0.0749 ( 2726 PWs) bands (ev): -29.7477 -29.7477 -11.0620 -11.0620 -10.6913 -10.6913 -10.6863 -10.6863 0.9632 0.9632 1.2581 1.2581 6.0044 6.0044 7.1619 7.1619 7.2236 7.2236 7.4242 7.4242 7.6937 7.6937 7.7915 7.7915 7.8790 7.8790 8.3006 8.3006 8.9109 8.9109 9.2857 9.2857 9.3374 9.3374 9.7673 9.7673 11.3905 11.3905 11.7700 11.7700 13.5594 13.5594 13.9311 13.9311 13.9922 13.9922 k = 0.4560 0.3670 0.0874 ( 2724 PWs) bands (ev): -29.7476 -29.7476 -11.0625 -11.0625 -10.6920 -10.6920 -10.6865 -10.6865 0.9790 0.9790 1.2682 1.2682 6.0062 6.0062 7.1593 7.1593 7.2223 7.2223 7.4320 7.4320 7.6467 7.6467 7.7845 7.7845 7.8718 7.8718 8.3163 8.3163 8.9022 8.9022 9.2492 9.2492 9.2853 9.2853 9.8102 9.8102 11.4030 11.4030 11.8325 11.8325 13.4561 13.4561 13.9395 13.9395 13.9997 13.9997 k = 0.4497 0.3778 0.0999 ( 2732 PWs) bands (ev): -29.7476 -29.7476 -11.0630 -11.0630 -10.6930 -10.6930 -10.6865 -10.6865 0.9972 0.9972 1.2797 1.2797 6.0074 6.0074 7.1561 7.1561 7.2213 7.2213 7.4402 7.4402 7.5925 7.5925 7.7793 7.7793 7.8656 7.8656 8.3309 8.3309 8.8921 8.8921 9.2101 9.2101 9.2353 9.2353 9.8532 9.8532 11.4154 11.4154 11.8976 11.8976 13.3488 13.3488 13.9412 13.9412 14.0078 14.0078 k = 0.4434 0.3886 0.1124 ( 2732 PWs) bands (ev): -29.7474 -29.7474 -11.0636 -11.0636 -10.6943 -10.6943 -10.6864 -10.6864 1.0177 1.0177 1.2925 1.2925 6.0079 6.0079 7.1524 7.1524 7.2205 7.2205 7.4471 7.4471 7.5359 7.5359 7.7728 7.7728 7.8614 7.8614 8.3445 8.3445 8.8806 8.8806 9.1644 9.1644 9.1932 9.1932 9.8962 9.8962 11.4272 11.4272 11.9634 11.9634 13.2385 13.2385 13.9331 13.9331 14.0170 14.0170 k = 0.4371 0.3994 0.1249 ( 2732 PWs) bands (ev): -29.7473 -29.7473 -11.0642 -11.0642 -10.6957 -10.6957 -10.6862 -10.6862 1.0406 1.0406 1.3064 1.3064 6.0072 6.0072 7.1480 7.1480 7.2202 7.2202 7.4395 7.4395 7.4915 7.4915 7.7634 7.7634 7.8600 7.8600 8.3567 8.3567 8.8677 8.8677 9.1144 9.1144 9.1574 9.1574 9.9390 9.9390 11.4383 11.4383 12.0281 12.0281 13.1261 13.1261 13.9131 13.9131 14.0274 14.0274 k = 0.4308 0.4101 0.1373 ( 2736 PWs) bands (ev): -29.7472 -29.7472 -11.0649 -11.0649 -10.6974 -10.6974 -10.6859 -10.6859 1.0659 1.0659 1.3215 1.3215 6.0047 6.0047 7.1431 7.1431 7.2202 7.2202 7.3910 7.3910 7.4874 7.4874 7.7509 7.7509 7.8614 7.8614 8.3674 8.3674 8.8531 8.8531 9.0650 9.0650 9.1242 9.1242 9.9815 9.9815 11.4480 11.4480 12.0902 12.0902 13.0122 13.0122 13.8823 13.8823 14.0393 14.0393 k = 0.4245 0.4209 0.1498 ( 2734 PWs) bands (ev): -29.7470 -29.7470 -11.0657 -11.0657 -10.6991 -10.6991 -10.6856 -10.6856 1.0935 1.0935 1.3375 1.3375 5.9998 5.9998 7.1377 7.1377 7.2201 7.2201 7.3294 7.3294 7.4975 7.4975 7.7357 7.7357 7.8652 7.8652 8.3766 8.3766 8.8371 8.8371 9.0178 9.0178 9.0920 9.0920 10.0235 10.0235 11.4557 11.4557 12.1485 12.1485 12.8973 12.8973 13.8445 13.8445 14.0524 14.0524 k = 0.4183 0.4317 0.1623 ( 2730 PWs) bands (ev): -29.7469 -29.7469 -11.0665 -11.0665 -10.7009 -10.7009 -10.6851 -10.6851 1.1234 1.1234 1.3543 1.3543 5.9919 5.9919 7.1318 7.1318 7.2175 7.2175 7.2697 7.2697 7.5106 7.5106 7.7183 7.7183 7.8707 7.8707 8.3842 8.3842 8.8195 8.8195 8.9737 8.9737 9.0606 9.0606 10.0649 10.0649 11.4605 11.4605 12.2023 12.2023 12.7821 12.7821 13.8049 13.8049 14.0650 14.0650 k = 0.4120 0.4425 0.1748 ( 2730 PWs) bands (ev): -29.7467 -29.7467 -11.0673 -11.0673 -10.7029 -10.7029 -10.6847 -10.6847 1.1556 1.1556 1.3717 1.3717 5.9801 5.9801 7.1255 7.1255 7.1906 7.1906 7.2365 7.2365 7.5250 7.5250 7.6994 7.6994 7.8776 7.8776 8.3901 8.3901 8.8004 8.8004 8.9331 8.9331 9.0296 9.0296 10.1056 10.1056 11.4614 11.4614 12.2511 12.2511 12.6668 12.6668 13.7681 13.7681 14.0506 14.0506 k = 0.4057 0.4533 0.1873 ( 2726 PWs) bands (ev): -29.7466 -29.7466 -11.0682 -11.0682 -10.7049 -10.7049 -10.6842 -10.6842 1.1900 1.1900 1.3897 1.3897 5.9636 5.9636 7.1181 7.1181 7.1379 7.1379 7.2340 7.2340 7.5402 7.5402 7.6796 7.6796 7.8854 7.8854 8.3945 8.3945 8.7796 8.7796 8.8960 8.8960 8.9991 8.9991 10.1454 10.1454 11.4575 11.4575 12.2948 12.2948 12.5519 12.5519 13.7381 13.7381 14.0303 14.0303 k = 0.3994 0.4641 0.1998 ( 2720 PWs) bands (ev): -29.7464 -29.7464 -11.0692 -11.0692 -10.7069 -10.7069 -10.6837 -10.6837 1.2267 1.2267 1.4079 1.4079 5.9416 5.9416 7.0832 7.0832 7.1133 7.1133 7.2363 7.2363 7.5554 7.5554 7.6597 7.6597 7.8940 7.8940 8.3972 8.3972 8.7573 8.7573 8.8622 8.8622 8.9689 8.9689 10.1843 10.1843 11.4477 11.4477 12.3340 12.3340 12.4377 12.4377 13.7174 13.7174 14.0143 14.0143 k = 0.3931 0.4749 0.2123 ( 2720 PWs) bands (ev): -29.7462 -29.7462 -11.0702 -11.0702 -10.7091 -10.7091 -10.6831 -10.6831 1.2655 1.2655 1.4262 1.4262 5.9138 5.9138 7.0362 7.0362 7.1060 7.1060 7.2399 7.2399 7.5689 7.5689 7.6415 7.6415 7.9029 7.9029 8.3982 8.3982 8.7338 8.7338 8.8315 8.8315 8.9389 8.9389 10.2220 10.2220 11.4310 11.4310 12.3224 12.3224 12.3718 12.3718 13.7077 13.7077 14.0028 14.0028 k = 0.3868 0.4856 0.2247 ( 2728 PWs) bands (ev): -29.7461 -29.7461 -11.0713 -11.0713 -10.7112 -10.7112 -10.6826 -10.6826 1.3065 1.3065 1.4444 1.4444 5.8796 5.8796 6.9957 6.9957 7.0989 7.0989 7.2444 7.2444 7.5755 7.5755 7.6305 7.6305 7.9122 7.9122 8.3976 8.3976 8.7093 8.7093 8.8031 8.8031 8.9090 8.9090 10.2586 10.2586 11.4067 11.4067 12.2104 12.2104 12.4054 12.4054 13.7092 13.7092 13.9963 13.9964 k = 0.3805 0.4964 0.2372 ( 2720 PWs) bands (ev): -29.7459 -29.7459 -11.0724 -11.0724 -10.7133 -10.7133 -10.6820 -10.6820 1.3496 1.3496 1.4622 1.4622 5.8393 5.8393 6.9625 6.9625 7.0919 7.0919 7.2497 7.2497 7.5675 7.5675 7.6346 7.6346 7.9216 7.9216 8.3955 8.3955 8.6846 8.6846 8.7770 8.7770 8.8794 8.8794 10.2940 10.2940 11.3745 11.3745 12.0989 12.0989 12.4394 12.4394 13.7219 13.7219 13.9951 13.9951 k = 0.3742 0.5072 0.2497 ( 2722 PWs) bands (ev): -29.7457 -29.7457 -11.0735 -11.0735 -10.7154 -10.7154 -10.6814 -10.6814 1.3948 1.3948 1.4793 1.4793 5.7933 5.7933 6.9368 6.9368 7.0849 7.0849 7.2556 7.2556 7.5493 7.5493 7.6492 7.6492 7.9311 7.9311 8.3919 8.3919 8.6599 8.6599 8.7524 8.7524 8.8497 8.8497 10.3281 10.3281 11.3347 11.3347 11.9886 11.9886 12.4748 12.4748 13.7446 13.7446 13.9990 13.9990 k = 0.3679 0.5180 0.2622 ( 2722 PWs) bands (ev): -29.7455 -29.7455 -11.0747 -11.0747 -10.7175 -10.7175 -10.6808 -10.6808 1.4419 1.4419 1.4955 1.4955 5.7426 5.7426 6.9181 6.9181 7.0780 7.0780 7.2622 7.2622 7.5275 7.5275 7.6680 7.6680 7.9406 7.9406 8.3870 8.3870 8.6353 8.6353 8.7289 8.7289 8.8200 8.8200 10.3609 10.3609 11.2878 11.2878 11.8797 11.8797 12.5126 12.5126 13.7763 13.7763 14.0082 14.0082 k = 0.3617 0.5288 0.2747 ( 2718 PWs) bands (ev): -29.7453 -29.7453 -11.0758 -11.0758 -10.7196 -10.7196 -10.6802 -10.6802 1.4911 1.4911 1.5105 1.5105 5.6882 5.6882 6.9058 6.9058 7.0713 7.0713 7.2693 7.2693 7.5046 7.5046 7.6886 7.6886 7.9499 7.9499 8.3808 8.3808 8.6111 8.6111 8.7066 8.7066 8.7904 8.7904 10.3923 10.3923 11.2347 11.2347 11.7722 11.7722 12.5537 12.5537 13.8158 13.8158 14.0229 14.0229 k = 0.3554 0.5396 0.2872 ( 2726 PWs) bands (ev): -29.7452 -29.7452 -11.0770 -11.0770 -10.7216 -10.7216 -10.6797 -10.6797 1.5239 1.5239 1.5421 1.5421 5.6315 5.6315 6.8990 6.8990 7.0646 7.0646 7.2771 7.2771 7.4811 7.4811 7.7104 7.7104 7.9590 7.9590 8.3735 8.3735 8.5872 8.5872 8.6850 8.6850 8.7608 8.7608 10.4225 10.4225 11.1766 11.1766 11.6664 11.6664 12.5985 12.5985 13.8617 13.8617 14.0428 14.0428 k = 0.3491 0.5504 0.2997 ( 2726 PWs) bands (ev): -29.7450 -29.7450 -11.0782 -11.0782 -10.7235 -10.7235 -10.6791 -10.6791 1.5354 1.5354 1.5950 1.5950 5.5737 5.5737 6.8968 6.8968 7.0583 7.0583 7.2854 7.2854 7.4576 7.4576 7.7331 7.7331 7.9676 7.9676 8.3652 8.3652 8.5638 8.5638 8.6643 8.6643 8.7312 8.7312 10.4513 10.4513 11.1147 11.1147 11.5622 11.5622 12.6473 12.6473 13.9130 13.9130 14.0673 14.0673 k = 0.3428 0.5612 0.3122 ( 2730 PWs) bands (ev): -29.7448 -29.7448 -11.0793 -11.0793 -10.7254 -10.7254 -10.6785 -10.6785 1.5446 1.5446 1.6497 1.6497 5.5160 5.5160 6.8982 6.8982 7.0522 7.0522 7.2943 7.2943 7.4342 7.4342 7.7564 7.7564 7.9758 7.9758 8.3560 8.3560 8.5408 8.5408 8.6445 8.6445 8.7019 8.7019 10.4790 10.4790 11.0502 11.0502 11.4597 11.4597 12.6999 12.6999 13.9687 13.9687 14.0216 14.0216 k = 0.3365 0.5719 0.3246 ( 2738 PWs) bands (ev): -29.7447 -29.7447 -11.0805 -11.0805 -10.7272 -10.7272 -10.6780 -10.6780 1.5513 1.5513 1.7061 1.7061 5.4597 5.4597 6.9022 6.9022 7.0465 7.0465 7.3038 7.3038 7.4110 7.4110 7.7804 7.7804 7.9833 7.9833 8.3458 8.3458 8.5182 8.5182 8.6252 8.6252 8.6729 8.6729 10.5055 10.5055 10.9842 10.9842 11.3589 11.3589 12.7563 12.7563 13.9340 13.9340 14.0281 14.0281 k = 0.3302 0.5827 0.3371 ( 2732 PWs) bands (ev): -29.7445 -29.7445 -11.0816 -11.0816 -10.7288 -10.7288 -10.6774 -10.6774 1.5551 1.5551 1.7641 1.7641 5.4058 5.4058 6.9081 6.9081 7.0412 7.0412 7.3138 7.3138 7.3883 7.3883 7.8048 7.8048 7.9901 7.9901 8.3352 8.3352 8.4964 8.4964 8.6063 8.6063 8.6449 8.6449 10.5310 10.5310 10.9176 10.9176 11.2600 11.2600 12.8163 12.8163 13.8384 13.8384 14.0905 14.0905 k = 0.3239 0.5935 0.3496 ( 2732 PWs) bands (ev): -29.7444 -29.7444 -11.0826 -11.0826 -10.7304 -10.7304 -10.6769 -10.6769 1.5557 1.5557 1.8237 1.8237 5.3551 5.3551 6.9150 6.9150 7.0364 7.0364 7.3242 7.3242 7.3661 7.3661 7.8296 7.8296 7.9959 7.9959 8.3241 8.3241 8.4755 8.4755 8.5867 8.5867 8.6189 8.6189 10.5554 10.5554 10.8514 10.8514 11.1629 11.1629 12.8795 12.8795 13.7382 13.7382 14.1552 14.1552 k = 0.3176 0.6043 0.3621 ( 2732 PWs) bands (ev): -29.7442 -29.7442 -11.0836 -11.0836 -10.7318 -10.7318 -10.6764 -10.6764 1.5528 1.5528 1.8847 1.8847 5.3085 5.3085 6.9222 6.9222 7.0319 7.0319 7.3337 7.3337 7.3459 7.3459 7.8546 7.8546 8.0006 8.0006 8.3126 8.3126 8.4557 8.4557 8.5645 8.5645 8.5972 8.5972 10.5789 10.5789 10.7864 10.7864 11.0677 11.0677 12.9457 12.9457 13.6355 13.6355 14.2218 14.2218 k = 0.3113 0.6151 0.3746 ( 2732 PWs) bands (ev): -29.7441 -29.7441 -11.0846 -11.0846 -10.7332 -10.7332 -10.6759 -10.6759 1.5461 1.5461 1.9471 1.9471 5.2666 5.2666 6.9289 6.9289 7.0281 7.0281 7.3212 7.3212 7.3488 7.3488 7.8796 7.8796 8.0042 8.0042 8.3010 8.3010 8.4373 8.4373 8.5388 8.5388 8.5804 8.5804 10.6010 10.6010 10.7236 10.7236 10.9744 10.9744 13.0146 13.0146 13.5314 13.5314 14.2870 14.2881 k = 0.3051 0.6259 0.3871 ( 2728 PWs) bands (ev): -29.7440 -29.7440 -11.0854 -11.0854 -10.7344 -10.7344 -10.6754 -10.6754 1.5354 1.5354 2.0108 2.0108 5.2300 5.2300 6.9347 6.9347 7.0249 7.0249 7.3009 7.3009 7.3608 7.3608 7.9044 7.9044 8.0067 8.0067 8.2894 8.2894 8.4208 8.4208 8.5112 8.5112 8.5675 8.5675 10.6184 10.6184 10.6668 10.6668 10.8831 10.8831 13.0858 13.0858 13.4268 13.4268 14.2513 14.2513 k = 0.2988 0.6367 0.3996 ( 2734 PWs) bands (ev): -29.7439 -29.7439 -11.0863 -11.0863 -10.7355 -10.7355 -10.6750 -10.6750 1.5205 1.5205 2.0756 2.0756 5.1990 5.1990 6.9387 6.9387 7.0222 7.0222 7.2809 7.2809 7.3736 7.3736 7.9277 7.9277 8.0088 8.0088 8.2782 8.2782 8.4062 8.4062 8.4827 8.4827 8.5575 8.5575 10.5935 10.5935 10.6541 10.6541 10.7940 10.7940 13.1582 13.1582 13.3227 13.3227 14.2150 14.2150 k = 0.2925 0.6475 0.4120 ( 2736 PWs) bands (ev): -29.7438 -29.7438 -11.0870 -11.0870 -10.7364 -10.7364 -10.6746 -10.6746 1.5014 1.5014 2.1413 2.1413 5.1740 5.1740 6.9405 6.9405 7.0203 7.0203 7.2615 7.2615 7.3870 7.3870 7.9476 7.9476 8.0125 8.0125 8.2675 8.2675 8.3942 8.3942 8.4541 8.4541 8.5498 8.5498 10.5398 10.5398 10.6700 10.6700 10.7093 10.7093 13.2037 13.2037 13.2475 13.2475 14.1811 14.1811 k = 0.2925 0.6475 0.4120 ( 2736 PWs) bands (ev): -29.7438 -29.7438 -11.0870 -11.0870 -10.7364 -10.7364 -10.6746 -10.6746 1.5014 1.5014 2.1413 2.1413 5.1740 5.1740 6.9405 6.9405 7.0203 7.0203 7.2615 7.2615 7.3870 7.3870 7.9476 7.9476 8.0125 8.0125 8.2675 8.2675 8.3942 8.3942 8.4541 8.4541 8.5498 8.5498 10.5398 10.5398 10.6700 10.6700 10.7093 10.7093 13.2037 13.2037 13.2475 13.2475 14.1811 14.1811 k = 0.2762 0.6434 0.4167 ( 2738 PWs) bands (ev): -29.7438 -29.7438 -11.0873 -11.0873 -10.7368 -10.7368 -10.6745 -10.6745 1.4912 1.4912 2.1683 2.1683 5.1684 5.1684 6.9263 6.9263 7.0322 7.0322 7.2535 7.2535 7.3931 7.3931 7.9531 7.9531 8.0145 8.0145 8.2640 8.2640 8.3904 8.3904 8.4434 8.4434 8.5482 8.5482 10.4723 10.4723 10.6781 10.6781 10.7266 10.7266 13.1717 13.1717 13.2637 13.2637 14.1649 14.1649 k = 0.2600 0.6394 0.4214 ( 2735 PWs) bands (ev): -29.7437 -29.7437 -11.0875 -11.0875 -10.7371 -10.7371 -10.6743 -10.6743 1.4776 1.4776 2.1981 2.1981 5.1682 5.1682 6.8943 6.8943 7.0578 7.0578 7.2443 7.2443 7.4009 7.4009 7.9561 7.9561 8.0170 8.0170 8.2610 8.2610 8.3870 8.3870 8.4327 8.4327 8.5484 8.5484 10.3665 10.3665 10.6881 10.6881 10.7866 10.7866 13.1348 13.1348 13.2748 13.2748 14.1453 14.1453 k = 0.2437 0.6353 0.4261 ( 2733 PWs) bands (ev): -29.7437 -29.7437 -11.0877 -11.0877 -10.7373 -10.7373 -10.6742 -10.6742 1.4618 1.4618 2.2296 2.2296 5.1737 5.1737 6.8544 6.8544 7.0870 7.0870 7.2346 7.2346 7.4096 7.4096 7.9558 7.9558 8.0208 8.0208 8.2584 8.2584 8.3836 8.3836 8.4223 8.4223 8.5506 8.5506 10.2569 10.2569 10.6973 10.6973 10.8579 10.8579 13.0983 13.0983 13.2750 13.2750 14.1275 14.1275 k = 0.2275 0.6313 0.4308 ( 2731 PWs) bands (ev): -29.7437 -29.7437 -11.0879 -11.0879 -10.7376 -10.7376 -10.6740 -10.6740 1.4449 1.4449 2.2614 2.2614 5.1849 5.1849 6.8095 6.8095 7.1168 7.1168 7.2248 7.2248 7.4187 7.4187 7.9520 7.9520 8.0266 8.0266 8.2560 8.2560 8.3801 8.3801 8.4123 8.4123 8.5549 8.5549 10.1497 10.1497 10.7062 10.7062 10.9335 10.9335 13.0634 13.0634 13.2630 13.2630 14.1148 14.1148 k = 0.2112 0.6272 0.4355 ( 2726 PWs) bands (ev): -29.7436 -29.7436 -11.0881 -11.0881 -10.7378 -10.7378 -10.6738 -10.6738 1.4274 1.4274 2.2927 2.2927 5.2018 5.2018 6.7605 6.7605 7.1464 7.1464 7.2155 7.2155 7.4281 7.4281 7.9447 7.9447 8.0341 8.0341 8.2539 8.2539 8.3760 8.3760 8.4029 8.4029 8.5613 8.5613 10.0469 10.0469 10.7149 10.7149 11.0117 11.0117 13.0305 13.0305 13.2383 13.2383 14.1093 14.1093 k = 0.1950 0.6232 0.4402 ( 2724 PWs) bands (ev): -29.7436 -29.7436 -11.0882 -11.0882 -10.7380 -10.7380 -10.6737 -10.6737 1.4100 1.4100 2.3228 2.3228 5.2246 5.2246 6.7075 6.7075 7.1746 7.1746 7.2071 7.2071 7.4375 7.4375 7.9348 7.9348 8.0428 8.0428 8.2518 8.2518 8.3711 8.3711 8.3945 8.3945 8.5698 8.5698 9.9492 9.9492 10.7234 10.7234 11.0916 11.0916 12.9998 12.9998 13.2014 13.2014 14.1116 14.1116 k = 0.1787 0.6191 0.4448 ( 2723 PWs) bands (ev): -29.7436 -29.7436 -11.0884 -11.0884 -10.7382 -10.7382 -10.6735 -10.6735 1.3932 1.3932 2.3511 2.3511 5.2530 5.2530 6.6510 6.6510 7.1920 7.1920 7.2092 7.2092 7.4468 7.4468 7.9229 7.9229 8.0525 8.0525 8.2496 8.2496 8.3652 8.3652 8.3872 8.3872 8.5804 8.5804 9.8570 9.8570 10.7316 10.7316 11.1729 11.1729 12.9715 12.9715 13.1536 13.1536 14.1213 14.1213 k = 0.1625 0.6151 0.4495 ( 2729 PWs) bands (ev): -29.7436 -29.7436 -11.0885 -11.0885 -10.7384 -10.7384 -10.6734 -10.6734 1.3772 1.3772 2.3774 2.3774 5.2871 5.2871 6.5911 6.5911 7.1868 7.1868 7.2335 7.2335 7.4558 7.4558 7.9094 7.9094 8.0626 8.0626 8.2471 8.2471 8.3584 8.3584 8.3809 8.3809 8.5928 8.5928 9.7707 9.7707 10.7393 10.7393 11.2552 11.2552 12.9457 12.9457 13.0968 13.0968 14.1362 14.1362 k = 0.1462 0.6110 0.4542 ( 2729 PWs) bands (ev): -29.7436 -29.7436 -11.0887 -11.0887 -10.7386 -10.7386 -10.6733 -10.6733 1.3622 1.3622 2.4014 2.4014 5.3265 5.3265 6.5281 6.5281 7.1797 7.1797 7.2591 7.2591 7.4647 7.4647 7.8949 7.8949 8.0733 8.0733 8.2443 8.2443 8.3513 8.3513 8.3756 8.3756 8.6066 8.6066 9.6905 9.6905 10.7465 10.7465 11.3382 11.3382 12.9223 12.9223 13.0328 13.0328 14.1101 14.1101 k = 0.1300 0.6070 0.4589 ( 2724 PWs) bands (ev): -29.7436 -29.7436 -11.0888 -11.0888 -10.7387 -10.7387 -10.6732 -10.6732 1.3485 1.3485 2.4229 2.4229 5.3712 5.3712 6.4623 6.4623 7.1730 7.1730 7.2836 7.2836 7.4732 7.4732 7.8797 7.8797 8.0841 8.0841 8.2409 8.2409 8.3446 8.3446 8.3707 8.3707 8.6218 8.6218 9.6166 9.6166 10.7532 10.7532 11.4215 11.4215 12.9009 12.9009 12.9639 12.9639 14.0705 14.0705 k = 0.1137 0.6029 0.4636 ( 2724 PWs) bands (ev): -29.7435 -29.7435 -11.0889 -11.0889 -10.7389 -10.7389 -10.6731 -10.6731 1.3361 1.3361 2.4419 2.4419 5.4206 5.4206 6.3940 6.3940 7.1669 7.1669 7.3064 7.3064 7.4814 7.4814 7.8643 7.8643 8.0951 8.0951 8.2368 8.2368 8.3386 8.3386 8.3661 8.3661 8.6378 8.6378 9.5494 9.5494 10.7593 10.7593 11.5045 11.5045 12.8763 12.8763 12.8973 12.8973 14.0346 14.0346 k = 0.0975 0.5989 0.4683 ( 2721 PWs) bands (ev): -29.7435 -29.7435 -11.0890 -11.0890 -10.7390 -10.7390 -10.6730 -10.6730 1.3253 1.3253 2.4583 2.4583 5.4745 5.4745 6.3238 6.3238 7.1617 7.1617 7.3271 7.3271 7.4893 7.4893 7.8491 7.8491 8.1062 8.1062 8.2319 8.2319 8.3335 8.3335 8.3619 8.3619 8.6540 8.6540 9.4892 9.4892 10.7647 10.7647 11.5867 11.5867 12.8117 12.8117 12.8711 12.8711 14.0030 14.0030 k = 0.0812 0.5948 0.4730 ( 2723 PWs) bands (ev): -29.7435 -29.7435 -11.0890 -11.0890 -10.7391 -10.7391 -10.6729 -10.6729 1.3160 1.3160 2.4720 2.4720 5.5324 5.5324 6.2520 6.2520 7.1571 7.1571 7.3454 7.3454 7.4969 7.4969 7.8346 7.8346 8.1171 8.1171 8.2260 8.2260 8.3295 8.3295 8.3579 8.3579 8.6700 8.6700 9.4363 9.4363 10.7693 10.7693 11.6668 11.6668 12.7372 12.7372 12.8572 12.8572 13.9758 13.9758 k = 0.0650 0.5908 0.4776 ( 2720 PWs) bands (ev): -29.7435 -29.7435 -11.0891 -11.0891 -10.7391 -10.7391 -10.6728 -10.6728 1.3083 1.3083 2.4832 2.4832 5.5938 5.5938 6.1793 6.1793 7.1534 7.1534 7.3609 7.3609 7.5038 7.5038 7.8214 7.8214 8.1277 8.1277 8.2194 8.2194 8.3266 8.3266 8.3544 8.3544 8.6850 8.6850 9.3913 9.3913 10.7732 10.7732 11.7435 11.7435 12.6640 12.6640 12.8464 12.8464 13.9532 13.9532 k = 0.0487 0.5867 0.4823 ( 2719 PWs) bands (ev): -29.7435 -29.7435 -11.0891 -11.0891 -10.7392 -10.7392 -10.6728 -10.6728 1.3023 1.3023 2.4919 2.4919 5.6577 5.6577 6.1064 6.1064 7.1504 7.1504 7.3732 7.3732 7.5100 7.5100 7.8100 7.8100 8.1379 8.1379 8.2124 8.2124 8.3247 8.3247 8.3513 8.3513 8.6981 8.6981 9.3550 9.3550 10.7763 10.7763 11.8139 11.8139 12.5958 12.5958 12.8382 12.8382 13.9355 13.9355 k = 0.0325 0.5827 0.4870 ( 2717 PWs) bands (ev): -29.7435 -29.7435 -11.0892 -11.0892 -10.7392 -10.7392 -10.6727 -10.6727 1.2979 1.2979 2.4980 2.4980 5.7229 5.7229 6.0349 6.0349 7.1483 7.1483 7.3822 7.3822 7.5150 7.5150 7.8012 7.8012 8.1469 8.1469 8.2055 8.2055 8.3236 8.3236 8.3490 8.3490 8.7084 8.7084 9.3282 9.3282 10.7785 10.7785 11.8736 11.8736 12.5375 12.5375 12.8324 12.8324 13.9228 13.9228 k = 0.0162 0.5786 0.4917 ( 2719 PWs) bands (ev): -29.7435 -29.7435 -11.0892 -11.0892 -10.7392 -10.7392 -10.6727 -10.6727 1.2953 1.2953 2.5017 2.5017 5.7852 5.7852 5.9687 5.9687 7.1471 7.1471 7.3876 7.3876 7.5182 7.5182 7.7955 7.7955 8.1539 8.1539 8.1998 8.1998 8.3231 8.3231 8.3474 8.3474 8.7151 8.7151 9.3117 9.3117 10.7799 10.7799 11.9153 11.9153 12.4964 12.4964 12.8289 12.8289 13.9151 13.9151 k = 0.0000 0.5746 0.4964 ( 2722 PWs) bands (ev): -29.7435 -29.7435 -11.0892 -11.0892 -10.7393 -10.7393 -10.6727 -10.6727 1.2945 1.2945 2.5029 2.5029 5.8210 5.8210 5.9317 5.9317 7.1466 7.1466 7.3894 7.3894 7.5193 7.5193 7.7936 7.7936 8.1566 8.1566 8.1974 8.1974 8.3229 8.3229 8.3469 8.3469 8.7174 8.7174 9.3062 9.3062 10.7803 10.7803 11.9307 11.9307 12.4813 12.4813 12.8278 12.8278 13.9125 13.9125 k = 0.0000 0.5746 0.4964 ( 2722 PWs) bands (ev): -29.7435 -29.7435 -11.0892 -11.0892 -10.7393 -10.7393 -10.6727 -10.6727 1.2945 1.2945 2.5029 2.5029 5.8210 5.8210 5.9317 5.9317 7.1466 7.1466 7.3894 7.3894 7.5193 7.5193 7.7936 7.7936 8.1566 8.1566 8.1974 8.1974 8.3229 8.3229 8.3469 8.3469 8.7174 8.7174 9.3062 9.3062 10.7803 10.7803 11.9307 11.9307 12.4813 12.4813 12.8278 12.8278 13.9125 13.9125 k = 0.0063 0.5639 0.5088 ( 2726 PWs) bands (ev): -29.7435 -29.7435 -11.0892 -11.0892 -10.7393 -10.7393 -10.6728 -10.6728 1.2950 1.2950 2.5041 2.5041 5.8211 5.8211 5.9313 5.9313 7.1445 7.1445 7.3913 7.3913 7.5195 7.5195 7.7936 7.7936 8.1545 8.1545 8.1967 8.1967 8.3239 8.3239 8.3494 8.3494 8.7167 8.7167 9.3062 9.3062 10.7754 10.7754 11.9274 11.9274 12.4726 12.4726 12.8230 12.8230 13.9128 13.9128 k = 0.0125 0.5531 0.5212 ( 2728 PWs) bands (ev): -29.7435 -29.7435 -11.0893 -11.0893 -10.7393 -10.7393 -10.6730 -10.6730 1.2967 1.2967 2.5077 2.5077 5.8217 5.8217 5.9301 5.9301 7.1383 7.1383 7.3967 7.3967 7.5202 7.5202 7.7937 7.7937 8.1487 8.1487 8.1945 8.1945 8.3272 8.3272 8.3562 8.3562 8.7146 8.7146 9.3062 9.3062 10.7611 10.7611 11.9175 11.9175 12.4458 12.4458 12.8110 12.8110 13.9146 13.9146 k = 0.0187 0.5424 0.5336 ( 2732 PWs) bands (ev): -29.7434 -29.7434 -11.0894 -11.0894 -10.7394 -10.7394 -10.6733 -10.6733 1.2996 1.2996 2.5136 2.5136 5.8225 5.8225 5.9280 5.9280 7.1289 7.1289 7.4047 7.4047 7.5216 7.5216 7.7938 7.7938 8.1402 8.1402 8.1907 8.1907 8.3331 8.3331 8.3661 8.3661 8.7111 8.7111 9.3063 9.3063 10.7379 10.7379 11.9007 11.9007 12.3991 12.3991 12.7972 12.7972 13.9197 13.9198 k = 0.0250 0.5317 0.5460 ( 2734 PWs) bands (ev): -29.7434 -29.7434 -11.0895 -11.0895 -10.7395 -10.7395 -10.6737 -10.6737 1.3036 1.3036 2.5220 2.5220 5.8236 5.8236 5.9250 5.9250 7.1171 7.1171 7.4142 7.4142 7.5240 7.5240 7.7938 7.7938 8.1301 8.1301 8.1855 8.1855 8.3416 8.3416 8.3779 8.3779 8.7064 8.7064 9.3064 9.3064 10.7066 10.7066 11.8767 11.8767 12.3325 12.3325 12.7866 12.7866 13.9307 13.9307 k = 0.0312 0.5210 0.5584 ( 2730 PWs) bands (ev): -29.7433 -29.7433 -11.0896 -11.0896 -10.7396 -10.7396 -10.6741 -10.6741 1.3087 1.3087 2.5326 2.5326 5.8249 5.8249 5.9210 5.9210 7.1039 7.1039 7.4241 7.4241 7.5280 7.5280 7.7937 7.7937 8.1192 8.1192 8.1797 8.1797 8.3520 8.3520 8.3910 8.3910 8.7004 8.7004 9.3066 9.3066 10.6684 10.6684 11.8453 11.8453 12.2484 12.2484 12.7814 12.7814 13.9491 13.9491 k = 0.0375 0.5103 0.5708 ( 2736 PWs) bands (ev): -29.7433 -29.7433 -11.0898 -11.0898 -10.7398 -10.7398 -10.6747 -10.6747 1.3149 1.3149 2.5457 2.5457 5.8263 5.8263 5.9159 5.9159 7.0901 7.0901 7.4330 7.4330 7.5337 7.5337 7.7931 7.7931 8.1078 8.1078 8.1736 8.1736 8.3636 8.3636 8.4047 8.4047 8.6933 8.6933 9.3067 9.3067 10.6241 10.6241 11.8065 11.8065 12.1508 12.1508 12.7818 12.7818 13.9759 13.9759 k = 0.0437 0.4995 0.5833 ( 2736 PWs) bands (ev): -29.7432 -29.7432 -11.0899 -11.0899 -10.7399 -10.7399 -10.6754 -10.6754 1.3221 1.3221 2.5610 2.5610 5.8277 5.8277 5.9096 5.9096 7.0764 7.0764 7.4405 7.4405 7.5416 7.5416 7.7922 7.7922 8.0965 8.0965 8.1678 8.1678 8.3760 8.3760 8.4189 8.4189 8.6851 8.6851 9.3068 9.3068 10.5752 10.5752 11.7603 11.7603 12.0436 12.0436 12.7869 12.7869 14.0114 14.0114 k = 0.0500 0.4888 0.5957 ( 2738 PWs) bands (ev): -29.7431 -29.7431 -11.0902 -11.0902 -10.7401 -10.7401 -10.6762 -10.6762 1.3304 1.3304 2.5787 2.5787 5.8289 5.8289 5.9020 5.9020 7.0633 7.0633 7.4461 7.4461 7.5516 7.5516 7.7907 7.7907 8.0856 8.0856 8.1627 8.1627 8.3886 8.3886 8.4330 8.4330 8.6760 8.6760 9.3069 9.3069 10.5225 10.5225 11.7073 11.7073 11.9303 11.9303 12.7958 12.7958 14.0553 14.0553 k = 0.0563 0.4781 0.6081 ( 2732 PWs) bands (ev): -29.7430 -29.7430 -11.0904 -11.0904 -10.7404 -10.7404 -10.6769 -10.6769 1.3397 1.3397 2.5986 2.5986 5.8298 5.8298 5.8929 5.8929 7.0514 7.0514 7.4501 7.4501 7.5632 7.5632 7.7886 7.7886 8.0754 8.0754 8.1586 8.1586 8.4010 8.4010 8.4471 8.4471 8.6664 8.6664 9.3069 9.3069 10.4671 10.4671 11.6480 11.6480 11.8136 11.8136 12.8080 12.8080 14.1068 14.1068 k = 0.0625 0.4674 0.6205 ( 2730 PWs) bands (ev): -29.7429 -29.7429 -11.0907 -11.0907 -10.7407 -10.7407 -10.6777 -10.6777 1.3500 1.3500 2.6207 2.6207 5.8301 5.8301 5.8823 5.8823 7.0411 7.0411 7.4528 7.4528 7.5758 7.5758 7.7857 7.7857 8.0660 8.0660 8.1557 8.1557 8.4128 8.4128 8.4607 8.4607 8.6563 8.6563 9.3068 9.3068 10.4099 10.4099 11.5830 11.5830 11.6956 11.6956 12.8228 12.8228 14.1648 14.1648 k = 0.0688 0.4567 0.6329 ( 2730 PWs) bands (ev): -29.7427 -29.7427 -11.0910 -11.0910 -10.7410 -10.7410 -10.6786 -10.6786 1.3612 1.3612 2.6450 2.6450 5.8297 5.8297 5.8699 5.8699 7.0326 7.0326 7.4548 7.4548 7.5887 7.5887 7.7820 7.7820 8.0576 8.0576 8.1539 8.1539 8.4234 8.4234 8.4738 8.4738 8.6464 8.6464 9.3066 9.3066 10.3515 10.3515 11.5124 11.5124 11.5784 11.5784 12.8397 12.8397 14.2285 14.2285 k = 0.0750 0.4459 0.6453 ( 2730 PWs) bands (ev): -29.7426 -29.7426 -11.0913 -11.0913 -10.7415 -10.7415 -10.6795 -10.6795 1.3733 1.3733 2.6715 2.6715 5.8284 5.8284 5.8559 5.8559 7.0262 7.0262 7.4564 7.4564 7.6014 7.6014 7.7775 7.7775 8.0504 8.0504 8.1534 8.1534 8.4324 8.4324 8.4863 8.4863 8.6369 8.6369 9.3063 9.3063 10.2928 10.2928 11.4334 11.4334 11.4669 11.4669 12.8585 12.8585 14.2966 14.2966 k = 0.0813 0.4352 0.6577 ( 2734 PWs) bands (ev): -29.7425 -29.7425 -11.0917 -11.0917 -10.7419 -10.7419 -10.6804 -10.6804 1.3863 1.3863 2.7000 2.7000 5.8256 5.8256 5.8404 5.8404 7.0223 7.0223 7.4580 7.4580 7.6135 7.6135 7.7724 7.7724 8.0446 8.0446 8.1540 8.1540 8.4391 8.4391 8.4981 8.4981 8.6287 8.6287 9.3057 9.3057 10.2341 10.2341 11.3342 11.3342 11.3745 11.3745 12.8787 12.8787 14.3679 14.3679 k = 0.0875 0.4245 0.6701 ( 2736 PWs) bands (ev): -29.7423 -29.7423 -11.0921 -11.0921 -10.7425 -10.7425 -10.6813 -10.6813 1.4000 1.4000 2.7306 2.7306 5.8184 5.8184 5.8262 5.8262 7.0209 7.0209 7.4599 7.4599 7.6246 7.6246 7.7666 7.7666 8.0401 8.0401 8.1555 8.1555 8.4428 8.4428 8.5090 8.5090 8.6223 8.6223 9.3050 9.3050 10.1760 10.1760 11.2247 11.2247 11.2929 11.2929 12.9001 12.9001 14.4415 14.4415 k = 0.0938 0.4138 0.6825 ( 2734 PWs) bands (ev): -29.7422 -29.7422 -11.0925 -11.0925 -10.7431 -10.7431 -10.6821 -10.6821 1.4144 1.4144 2.7631 2.7631 5.8010 5.8010 5.8188 5.8188 7.0221 7.0221 7.4622 7.4622 7.6344 7.6344 7.7603 7.7603 8.0372 8.0372 8.1579 8.1579 8.4429 8.4429 8.5192 8.5192 8.6185 8.6185 9.3040 9.3040 10.1188 10.1188 11.1164 11.1164 11.2119 11.2119 12.9223 12.9223 14.5162 14.5162 k = 0.1000 0.4030 0.6949 ( 2730 PWs) bands (ev): -29.7420 -29.7420 -11.0930 -11.0930 -10.7437 -10.7437 -10.6830 -10.6830 1.4295 1.4295 2.7976 2.7976 5.7799 5.7799 5.8116 5.8116 7.0262 7.0262 7.4653 7.4653 7.6428 7.6428 7.7538 7.7538 8.0357 8.0357 8.1610 8.1610 8.4390 8.4390 8.5288 8.5288 8.6174 8.6174 9.3027 9.3027 10.0629 10.0629 11.0114 11.0114 11.1305 11.1305 12.9449 12.9449 14.5910 14.5910 k = 0.1062 0.3923 0.7074 ( 2734 PWs) bands (ev): -29.7418 -29.7418 -11.0935 -11.0935 -10.7445 -10.7445 -10.6838 -10.6838 1.4451 1.4451 2.8338 2.8338 5.7569 5.7569 5.8027 5.8027 7.0330 7.0330 7.4690 7.4690 7.6496 7.6496 7.7470 7.7470 8.0356 8.0356 8.1644 8.1644 8.4314 8.4314 8.5378 8.5378 8.6188 8.6188 9.3011 9.3011 10.0083 10.0083 10.9106 10.9106 11.0488 11.0488 12.9677 12.9677 14.6651 14.6651 k = 0.1125 0.3816 0.7198 ( 2738 PWs) bands (ev): -29.7417 -29.7417 -11.0940 -11.0940 -10.7453 -10.7453 -10.6845 -10.6845 1.4613 1.4613 2.8717 2.8717 5.7323 5.7323 5.7918 5.7918 7.0425 7.0425 7.4736 7.4736 7.6548 7.6548 7.7402 7.7402 8.0368 8.0368 8.1680 8.1680 8.4205 8.4205 8.5464 8.5464 8.6224 8.6224 9.2991 9.2991 9.9554 9.9554 10.8145 10.8145 10.9672 10.9672 12.9900 12.9900 14.7374 14.7374 k = 0.1187 0.3709 0.7322 ( 2740 PWs) bands (ev): -29.7415 -29.7415 -11.0946 -11.0946 -10.7461 -10.7461 -10.6852 -10.6852 1.4778 1.4778 2.9113 2.9113 5.7063 5.7063 5.7788 5.7788 7.0548 7.0548 7.4790 7.4790 7.6584 7.6584 7.7336 7.7336 8.0391 8.0391 8.1716 8.1716 8.4072 8.4072 8.5547 8.5547 8.6274 8.6274 9.2967 9.2967 9.9041 9.9041 10.7235 10.7235 10.8863 10.8863 13.0114 13.0114 14.8074 14.8074 k = 0.1250 0.3602 0.7446 ( 2742 PWs) bands (ev): -29.7413 -29.7413 -11.0952 -11.0952 -10.7470 -10.7470 -10.6858 -10.6858 1.4947 1.4947 2.9523 2.9523 5.6792 5.6792 5.7634 5.7634 7.0697 7.0697 7.4852 7.4852 7.6605 7.6605 7.7273 7.7273 8.0421 8.0421 8.1749 8.1749 8.3921 8.3921 8.5628 8.5628 8.6334 8.6334 9.2939 9.2939 9.8546 9.8546 10.6377 10.6377 10.8065 10.8065 13.0315 13.0315 14.8742 14.8742 k = 0.1313 0.3494 0.7570 ( 2740 PWs) bands (ev): -29.7411 -29.7411 -11.0957 -11.0957 -10.7480 -10.7480 -10.6863 -10.6863 1.5118 1.5118 2.9947 2.9947 5.6511 5.6511 5.7456 5.7456 7.0871 7.0871 7.4923 7.4923 7.6611 7.6611 7.7215 7.7215 8.0456 8.0456 8.1776 8.1776 8.3760 8.3760 8.5709 8.5709 8.6399 8.6399 9.2907 9.2907 9.8068 9.8068 10.5574 10.5574 10.7282 10.7282 13.0495 13.0495 14.9375 14.9375 k = 0.1375 0.3387 0.7694 ( 2736 PWs) bands (ev): -29.7410 -29.7410 -11.0963 -11.0963 -10.7489 -10.7489 -10.6868 -10.6868 1.5291 1.5291 3.0383 3.0383 5.6223 5.6223 5.7254 5.7254 7.1069 7.1069 7.5001 7.5001 7.6605 7.6605 7.7163 7.7163 8.0494 8.0494 8.1796 8.1796 8.3592 8.3592 8.5791 8.5791 8.6467 8.6467 9.2870 9.2870 9.7606 9.7606 10.4828 10.4828 10.6519 10.6519 13.0651 13.0651 14.9971 14.9971 k = 0.1437 0.3280 0.7818 ( 2742 PWs) bands (ev): -29.7408 -29.7408 -11.0969 -11.0969 -10.7500 -10.7500 -10.6872 -10.6872 1.5463 1.5463 3.0830 3.0830 5.5931 5.5931 5.7027 5.7027 7.1289 7.1289 7.5084 7.5084 7.6588 7.6588 7.7117 7.7117 8.0529 8.0529 8.1806 8.1806 8.3421 8.3421 8.5873 8.5873 8.6536 8.6536 9.2827 9.2827 9.7160 9.7160 10.4138 10.4138 10.5780 10.5780 13.0775 13.0775 15.0413 15.0413 k = 0.1500 0.3173 0.7942 ( 2742 PWs) bands (ev): -29.7406 -29.7406 -11.0976 -11.0976 -10.7510 -10.7510 -10.6875 -10.6875 1.5635 1.5635 3.1284 3.1284 5.5637 5.5637 5.6778 5.6778 7.1529 7.1529 7.5174 7.5174 7.6563 7.6563 7.7077 7.7077 8.0560 8.0560 8.1806 8.1806 8.3252 8.3252 8.5959 8.5959 8.6607 8.6607 9.2780 9.2780 9.6729 9.6729 10.3504 10.3504 10.5069 10.5069 13.0864 13.0864 14.9983 14.9983 k = 0.1562 0.3066 0.8066 ( 2746 PWs) bands (ev): -29.7405 -29.7405 -11.0982 -11.0982 -10.7520 -10.7520 -10.6878 -10.6878 1.5805 1.5805 3.1745 3.1745 5.5344 5.5344 5.6506 5.6506 7.1787 7.1787 7.5266 7.5266 7.6533 7.6533 7.7042 7.7042 8.0583 8.0583 8.1793 8.1793 8.3086 8.3086 8.6049 8.6049 8.6679 8.6679 9.2728 9.2728 9.6310 9.6310 10.2924 10.2924 10.4390 10.4390 13.0914 13.0914 14.9648 14.9648 k = 0.1625 0.2958 0.8190 ( 2742 PWs) bands (ev): -29.7403 -29.7403 -11.0988 -11.0988 -10.7530 -10.7530 -10.6880 -10.6880 1.5972 1.5972 3.2210 3.2210 5.5054 5.5054 5.6215 5.6215 7.2061 7.2061 7.5360 7.5360 7.6501 7.6501 7.7012 7.7012 8.0596 8.0596 8.1768 8.1768 8.2927 8.2927 8.6145 8.6145 8.6754 8.6754 9.2671 9.2671 9.5903 9.5903 10.2400 10.2400 10.3748 10.3748 13.0922 13.0922 14.9419 14.9419 k = 0.1688 0.2851 0.8315 ( 2750 PWs) bands (ev): -29.7402 -29.7402 -11.0994 -11.0994 -10.7541 -10.7541 -10.6883 -10.6883 1.6134 1.6134 3.2676 3.2676 5.4771 5.4771 5.5906 5.5906 7.2349 7.2349 7.5453 7.5453 7.6469 7.6469 7.6985 7.6985 8.0598 8.0598 8.1731 8.1731 8.2774 8.2774 8.6246 8.6246 8.6831 8.6831 9.2608 9.2608 9.5506 9.5506 10.1927 10.1927 10.3147 10.3147 13.0890 13.0890 14.9299 14.9299 k = 0.1750 0.2744 0.8439 ( 2750 PWs) bands (ev): -29.7400 -29.7400 -11.1000 -11.1000 -10.7550 -10.7550 -10.6884 -10.6884 1.6291 1.6291 3.3140 3.3140 5.4497 5.4497 5.5584 5.5584 7.2647 7.2647 7.5542 7.5542 7.6440 7.6440 7.6962 7.6962 8.0587 8.0587 8.1681 8.1681 8.2629 8.2629 8.6353 8.6353 8.6913 8.6913 9.2541 9.2541 9.5118 9.5118 10.1504 10.1504 10.2589 10.2589 13.0818 13.0818 14.9286 14.9286 k = 0.1812 0.2637 0.8563 ( 2748 PWs) bands (ev): -29.7399 -29.7399 -11.1006 -11.1006 -10.7559 -10.7559 -10.6885 -10.6885 1.6441 1.6441 3.3598 3.3598 5.4234 5.4234 5.5251 5.5251 7.2954 7.2954 7.5625 7.5625 7.6416 7.6416 7.6942 7.6942 8.0566 8.0566 8.1622 8.1622 8.2490 8.2490 8.6467 8.6467 8.6999 8.6999 9.2471 9.2471 9.4739 9.4739 10.1129 10.1129 10.2078 10.2078 13.0713 13.0713 14.9379 14.9379 k = 0.1875 0.2530 0.8687 ( 2744 PWs) bands (ev): -29.7398 -29.7398 -11.1011 -11.1011 -10.7568 -10.7568 -10.6885 -10.6885 1.6584 1.6584 3.4046 3.4046 5.3985 5.3985 5.4914 5.4914 7.3265 7.3265 7.5700 7.5700 7.6398 7.6398 7.6925 7.6925 8.0534 8.0534 8.1554 8.1554 8.2358 8.2358 8.6586 8.6586 8.7091 8.7091 9.2397 9.2397 9.4368 9.4368 10.0797 10.0797 10.1615 10.1615 13.0580 13.0580 14.9574 14.9574 k = 0.1938 0.2422 0.8811 ( 2744 PWs) bands (ev): -29.7396 -29.7396 -11.1016 -11.1016 -10.7576 -10.7576 -10.6886 -10.6886 1.6717 1.6717 3.4480 3.4480 5.3752 5.3752 5.4577 5.4577 7.3578 7.3578 7.5764 7.5764 7.6387 7.6387 7.6911 7.6911 8.0493 8.0493 8.1479 8.1479 8.2230 8.2230 8.6712 8.6712 8.7186 8.7186 9.2320 9.2320 9.4008 9.4008 10.0506 10.0506 10.1202 10.1202 13.0427 13.0427 14.9862 14.9862 k = 0.2000 0.2315 0.8935 ( 2742 PWs) bands (ev): -29.7395 -29.7395 -11.1021 -11.1021 -10.7584 -10.7584 -10.6886 -10.6886 1.6839 1.6839 3.4893 3.4893 5.3536 5.3536 5.4246 5.4246 7.3887 7.3887 7.5815 7.5815 7.6385 7.6385 7.6899 7.6899 8.0447 8.0447 8.1401 8.1401 8.2106 8.2106 8.6841 8.6841 8.7284 8.7284 9.2241 9.2241 9.3660 9.3660 10.0252 10.0252 10.0839 10.0839 13.0262 13.0262 15.0237 15.0237 k = 0.2062 0.2208 0.9059 ( 2740 PWs) bands (ev): -29.7394 -29.7394 -11.1025 -11.1025 -10.7591 -10.7591 -10.6886 -10.6886 1.6950 1.6950 3.5281 3.5281 5.3341 5.3341 5.3928 5.3928 7.4188 7.4188 7.5852 7.5852 7.6389 7.6389 7.6889 7.6889 8.0398 8.0398 8.1320 8.1320 8.1988 8.1988 8.6974 8.6974 8.7382 8.7382 9.2163 9.2163 9.3328 9.3328 10.0033 10.0033 10.0527 10.0527 13.0094 13.0094 15.0690 15.0690 k = 0.2125 0.2101 0.9183 ( 2740 PWs) bands (ev): -29.7394 -29.7394 -11.1029 -11.1029 -10.7597 -10.7597 -10.6886 -10.6886 1.7049 1.7049 3.5637 3.5637 5.3168 5.3168 5.3631 5.3631 7.4475 7.4475 7.5878 7.5878 7.6398 7.6398 7.6880 7.6880 8.0350 8.0350 8.1239 8.1239 8.1877 8.1877 8.7107 8.7107 8.7477 8.7477 9.2085 9.2085 9.3019 9.3019 9.9846 9.9846 10.0265 10.0265 12.9931 12.9931 15.1213 15.1213 k = 0.2188 0.1993 0.9307 ( 2736 PWs) bands (ev): -29.7393 -29.7393 -11.1032 -11.1032 -10.7602 -10.7602 -10.6886 -10.6886 1.7134 1.7134 3.5955 3.5955 5.3019 5.3019 5.3362 5.3362 7.4743 7.4743 7.5895 7.5895 7.6409 7.6409 7.6873 7.6873 8.0304 8.0304 8.1160 8.1160 8.1777 8.1777 8.7239 8.7239 8.7564 8.7564 9.2010 9.2010 9.2738 9.2738 9.9689 9.9689 10.0050 10.0050 12.9780 12.9780 15.1796 15.1796 k = 0.2250 0.1886 0.9431 ( 2734 PWs) bands (ev): -29.7392 -29.7392 -11.1035 -11.1035 -10.7606 -10.7606 -10.6886 -10.6886 1.7205 1.7205 3.6227 3.6227 5.2894 5.2894 5.3129 5.3129 7.4983 7.4983 7.5905 7.5905 7.6418 7.6418 7.6867 7.6867 8.0262 8.0262 8.1086 8.1086 8.1690 8.1690 8.7364 8.7364 8.7639 8.7639 9.1938 9.1938 9.2496 9.2496 9.9559 9.9559 9.9882 9.9882 12.9648 12.9648 15.2429 15.2429 k = 0.2313 0.1779 0.9556 ( 2736 PWs) bands (ev): -29.7392 -29.7392 -11.1037 -11.1037 -10.7610 -10.7610 -10.6886 -10.6886 1.7261 1.7261 3.6447 3.6447 5.2793 5.2793 5.2940 5.2940 7.5186 7.5186 7.5910 7.5910 7.6423 7.6423 7.6862 7.6862 8.0228 8.0228 8.1019 8.1019 8.1620 8.1620 8.7477 8.7477 8.7698 8.7698 9.1870 9.1870 9.2302 9.2302 9.9456 9.9456 9.9755 9.9755 12.9539 12.9539 15.3101 15.3101 k = 0.2375 0.1672 0.9680 ( 2742 PWs) bands (ev): -29.7391 -29.7391 -11.1039 -11.1039 -10.7612 -10.7612 -10.6886 -10.6886 1.7302 1.7302 3.6609 3.6609 5.2717 5.2717 5.2803 5.2803 7.5344 7.5344 7.5912 7.5912 7.6424 7.6424 7.6858 7.6858 8.0201 8.0201 8.0966 8.0966 8.1569 8.1569 8.7570 8.7570 8.7737 8.7737 9.1808 9.1808 9.2165 9.2165 9.9382 9.9382 9.9668 9.9668 12.9459 12.9459 15.3794 15.3794 k = 0.2437 0.1565 0.9804 ( 2748 PWs) bands (ev): -29.7391 -29.7391 -11.1040 -11.1040 -10.7614 -10.7614 -10.6886 -10.6886 1.7326 1.7326 3.6708 3.6708 5.2664 5.2664 5.2726 5.2726 7.5445 7.5445 7.5912 7.5912 7.6422 7.6422 7.6856 7.6856 8.0185 8.0185 8.0932 8.0932 8.1538 8.1538 8.7636 8.7636 8.7755 8.7755 9.1763 9.1763 9.2086 9.2086 9.9336 9.9336 9.9617 9.9617 12.9409 12.9409 15.4463 15.4463 k = 0.2500 0.1457 0.9928 ( 2748 PWs) bands (ev): -29.7391 -29.7391 -11.1041 -11.1041 -10.7615 -10.7615 -10.6886 -10.6886 1.7334 1.7334 3.6741 3.6741 5.2643 5.2643 5.2703 5.2703 7.5480 7.5480 7.5912 7.5912 7.6421 7.6421 7.6855 7.6855 8.0179 8.0179 8.0920 8.0920 8.1528 8.1528 8.7661 8.7661 8.7759 8.7759 9.1746 9.1746 9.2061 9.2061 9.9321 9.9321 9.9600 9.9600 12.9393 12.9393 15.4858 15.4858 k = 0.2500 0.1457 0.9928 ( 2748 PWs) bands (ev): -29.7391 -29.7391 -11.1041 -11.1041 -10.7615 -10.7615 -10.6886 -10.6886 1.7334 1.7334 3.6741 3.6741 5.2643 5.2643 5.2703 5.2703 7.5480 7.5480 7.5912 7.5912 7.6421 7.6421 7.6855 7.6855 8.0179 8.0179 8.0920 8.0920 8.1528 8.1528 8.7661 8.7661 8.7759 8.7759 9.1746 9.1746 9.2061 9.2061 9.9321 9.9321 9.9600 9.9600 12.9393 12.9393 15.4858 15.4858 k = 0.2632 0.1534 0.9839 ( 2748 PWs) bands (ev): -29.7391 -29.7391 -11.1041 -11.1041 -10.7614 -10.7614 -10.6886 -10.6886 1.7332 1.7332 3.6734 3.6734 5.2562 5.2562 5.2798 5.2798 7.5388 7.5388 7.5985 7.5985 7.6373 7.6373 7.6909 7.6909 8.0179 8.0179 8.0911 8.0911 8.1541 8.1541 8.7655 8.7655 8.7758 8.7758 9.1553 9.1553 9.2275 9.2275 9.9322 9.9322 9.9605 9.9605 12.9422 12.9422 15.4781 15.4781 k = 0.2763 0.1611 0.9750 ( 2748 PWs) bands (ev): -29.7391 -29.7391 -11.1040 -11.1040 -10.7614 -10.7614 -10.6886 -10.6886 1.7326 1.7326 3.6708 3.6708 5.2478 5.2478 5.2925 5.2925 7.5190 7.5190 7.6090 7.6090 7.6306 7.6306 7.7034 7.7034 8.0176 8.0176 8.0888 8.0888 8.1576 8.1576 8.7636 8.7636 8.7755 8.7755 9.1265 9.1265 9.2627 9.2627 9.9322 9.9322 9.9623 9.9623 12.9509 12.9509 15.4376 15.4549 k = 0.2895 0.1688 0.9661 ( 2748 PWs) bands (ev): -29.7391 -29.7391 -11.1040 -11.1040 -10.7613 -10.7613 -10.6886 -10.6886 1.7318 1.7318 3.6662 3.6662 5.2402 5.2402 5.3075 5.3075 7.4950 7.4950 7.6027 7.6027 7.6403 7.6403 7.7181 7.7181 8.0171 8.0171 8.0851 8.0851 8.1630 8.1630 8.7606 8.7606 8.7751 8.7751 9.0987 9.0987 9.3015 9.3015 9.9317 9.9317 9.9657 9.9657 12.9650 12.9650 15.3592 15.3593 k = 0.3026 0.1764 0.9573 ( 2754 PWs) bands (ev): -29.7392 -29.7392 -11.1039 -11.1039 -10.7612 -10.7612 -10.6886 -10.6886 1.7308 1.7308 3.6591 3.6591 5.2337 5.2337 5.3249 5.3249 7.4687 7.4687 7.5884 7.5884 7.6575 7.6575 7.7335 7.7335 8.0161 8.0161 8.0806 8.0806 8.1693 8.1693 8.7567 8.7567 8.7745 8.7745 9.0732 9.0732 9.3426 9.3426 9.9306 9.9306 9.9708 9.9708 12.9841 12.9841 15.2811 15.2811 k = 0.3158 0.1841 0.9484 ( 2752 PWs) bands (ev): -29.7392 -29.7392 -11.1039 -11.1039 -10.7611 -10.7611 -10.6886 -10.6886 1.7298 1.7298 3.6494 3.6494 5.2282 5.2282 5.3449 5.3449 7.4407 7.4407 7.5729 7.5729 7.6756 7.6756 7.7490 7.7490 8.0147 8.0147 8.0755 8.0755 8.1763 8.1763 8.7519 8.7519 8.7739 8.7739 9.0506 9.0506 9.3856 9.3856 9.9292 9.9292 9.9775 9.9775 13.0078 13.0078 15.2038 15.2038 k = 0.3289 0.1918 0.9395 ( 2758 PWs) bands (ev): -29.7392 -29.7392 -11.1038 -11.1038 -10.7610 -10.7610 -10.6887 -10.6887 1.7288 1.7288 3.6369 3.6369 5.2238 5.2238 5.3674 5.3674 7.4113 7.4113 7.5573 7.5573 7.6934 7.6934 7.7643 7.7643 8.0127 8.0127 8.0702 8.0702 8.1831 8.1831 8.7462 8.7462 8.7731 8.7731 9.0313 9.0313 9.4301 9.4301 9.9274 9.9274 9.9856 9.9856 13.0357 13.0357 15.1280 15.1280 k = 0.3421 0.1994 0.9306 ( 2758 PWs) bands (ev): -29.7392 -29.7392 -11.1037 -11.1037 -10.7608 -10.7608 -10.6887 -10.6887 1.7280 1.7280 3.6215 3.6215 5.2206 5.2206 5.3925 5.3925 7.3810 7.3810 7.5418 7.5418 7.7109 7.7109 7.7795 7.7795 8.0101 8.0101 8.0647 8.0647 8.1896 8.1896 8.7399 8.7399 8.7725 8.7725 9.0159 9.0159 9.4755 9.4755 9.9256 9.9256 9.9950 9.9950 13.0672 13.0672 15.0544 15.0545 k = 0.3553 0.2071 0.9217 ( 2754 PWs) bands (ev): -29.7392 -29.7392 -11.1036 -11.1036 -10.7606 -10.7606 -10.6887 -10.6887 1.7275 1.7275 3.6031 3.6031 5.2185 5.2185 5.4201 5.4201 7.3498 7.3498 7.5266 7.5266 7.7278 7.7278 7.7943 7.7943 8.0069 8.0069 8.0592 8.0592 8.1954 8.1954 8.7329 8.7329 8.7720 8.7720 9.0045 9.0045 9.5214 9.5214 9.9238 9.9238 10.0057 10.0057 13.1017 13.1017 14.9837 14.9837 k = 0.3684 0.2148 0.9129 ( 2754 PWs) bands (ev): -29.7393 -29.7393 -11.1034 -11.1034 -10.7604 -10.7604 -10.6887 -10.6887 1.7272 1.7272 3.5818 3.5818 5.2176 5.2176 5.4499 5.4499 7.3182 7.3182 7.5120 7.5120 7.7441 7.7441 7.8088 7.8088 8.0029 8.0029 8.0536 8.0536 8.2003 8.2003 8.7253 8.7253 8.7715 8.7715 8.9973 8.9973 9.5674 9.5674 9.9222 9.9222 10.0174 10.0174 13.1385 13.1385 14.9164 14.9164 k = 0.3816 0.2224 0.9040 ( 2749 PWs) bands (ev): -29.7393 -29.7393 -11.1033 -11.1033 -10.7602 -10.7602 -10.6887 -10.6887 1.7272 1.7272 3.5577 3.5577 5.2179 5.2179 5.4818 5.4818 7.2863 7.2863 7.4979 7.4979 7.7598 7.7598 7.8229 7.8229 7.9984 7.9984 8.0482 8.0482 8.2040 8.2040 8.7171 8.7171 8.7710 8.7710 8.9946 8.9946 9.6129 9.6129 9.9213 9.9213 10.0302 10.0302 13.1767 13.1767 14.8530 14.8530 k = 0.3947 0.2301 0.8951 ( 2749 PWs) bands (ev): -29.7393 -29.7393 -11.1031 -11.1031 -10.7599 -10.7599 -10.6887 -10.6887 1.7276 1.7276 3.5309 3.5309 5.2195 5.2195 5.5154 5.5154 7.2545 7.2545 7.4845 7.4845 7.7748 7.7748 7.8366 7.8366 7.9931 7.9931 8.0429 8.0429 8.2065 8.2065 8.7084 8.7084 8.7705 8.7705 8.9964 8.9964 9.6570 9.6570 9.9213 9.9213 10.0438 10.0438 13.2155 13.2155 14.7941 14.7941 k = 0.4079 0.2378 0.8862 ( 2749 PWs) bands (ev): -29.7394 -29.7394 -11.1029 -11.1029 -10.7596 -10.7596 -10.6888 -10.6888 1.7283 1.7283 3.5017 3.5017 5.2223 5.2223 5.5503 5.5503 7.2229 7.2229 7.4719 7.4719 7.7892 7.7892 7.8498 7.8498 7.9872 7.9872 8.0378 8.0378 8.2078 8.2078 8.6994 8.6994 8.7699 8.7699 9.0024 9.0024 9.6989 9.6989 9.9228 9.9228 10.0585 10.0585 13.2538 13.2538 14.7401 14.7401 k = 0.4211 0.2455 0.8774 ( 2749 PWs) bands (ev): -29.7394 -29.7394 -11.1027 -11.1027 -10.7593 -10.7593 -10.6888 -10.6888 1.7293 1.7293 3.4703 3.4703 5.2264 5.2264 5.5863 5.5863 7.1919 7.1919 7.4603 7.4603 7.8027 7.8027 7.8625 7.8625 7.9808 7.9808 8.0328 8.0328 8.2080 8.2080 8.6900 8.6900 8.7694 8.7694 9.0127 9.0127 9.7371 9.7371 9.9271 9.9271 10.0742 10.0742 13.2904 13.2904 14.6915 14.6915 k = 0.4342 0.2531 0.8685 ( 2745 PWs) bands (ev): -29.7395 -29.7395 -11.1025 -11.1025 -10.7590 -10.7590 -10.6888 -10.6888 1.7305 1.7305 3.4369 3.4369 5.2318 5.2318 5.6228 5.6228 7.1617 7.1617 7.4496 7.4496 7.8154 7.8154 7.8745 7.8745 7.9738 7.9738 8.0282 8.0282 8.2071 8.2071 8.6804 8.6804 8.7688 8.7688 9.0269 9.0269 9.7698 9.7698 9.9355 9.9355 10.0909 10.0909 13.3242 13.3242 14.6486 14.6486 k = 0.4474 0.2608 0.8596 ( 2748 PWs) bands (ev): -29.7395 -29.7395 -11.1023 -11.1023 -10.7586 -10.7586 -10.6889 -10.6889 1.7320 1.7320 3.4020 3.4020 5.2386 5.2386 5.6595 5.6595 7.1324 7.1324 7.4401 7.4401 7.8272 7.8272 7.8857 7.8857 7.9664 7.9664 8.0241 8.0241 8.2055 8.2055 8.6705 8.6705 8.7681 8.7681 9.0446 9.0446 9.7952 9.7952 9.9497 9.9497 10.1087 10.1087 13.3538 13.3538 14.6117 14.6117 k = 0.4605 0.2685 0.8507 ( 2747 PWs) bands (ev): -29.7396 -29.7396 -11.1020 -11.1020 -10.7582 -10.7582 -10.6889 -10.6889 1.7335 1.7335 3.3657 3.3657 5.2467 5.2467 5.6960 5.6960 7.1044 7.1044 7.4319 7.4319 7.8378 7.8378 7.8961 7.8961 7.9586 7.9586 8.0207 8.0207 8.2033 8.2033 8.6604 8.6604 8.7674 8.7674 9.0654 9.0654 9.8122 9.8122 9.9701 9.9701 10.1278 10.1278 13.3779 13.3779 14.5813 14.5813 k = 0.4737 0.2761 0.8418 ( 2749 PWs) bands (ev): -29.7396 -29.7396 -11.1018 -11.1018 -10.7578 -10.7578 -10.6890 -10.6890 1.7351 1.7351 3.3286 3.3286 5.2561 5.2561 5.7317 5.7317 7.0777 7.0777 7.4251 7.4251 7.8467 7.8467 7.9051 7.9051 7.9509 7.9509 8.0185 8.0185 8.2007 8.2007 8.6502 8.6502 8.7668 8.7668 9.0888 9.0888 9.8221 9.8221 9.9955 9.9955 10.1482 10.1482 13.3953 13.3953 14.5574 14.5574 k = 0.4868 0.2838 0.8330 ( 2752 PWs) bands (ev): -29.7397 -29.7397 -11.1015 -11.1015 -10.7574 -10.7574 -10.6891 -10.6891 1.7364 1.7364 3.2909 3.2909 5.2669 5.2669 5.7662 5.7662 7.0526 7.0526 7.4198 7.4198 7.8538 7.8538 7.9119 7.9119 7.9441 7.9441 8.0179 8.0179 8.1981 8.1981 8.6398 8.6398 8.7662 8.7662 9.1144 9.1144 9.8269 9.8269 10.0235 10.0235 10.1702 10.1702 13.4050 13.4050 14.5403 14.5403 k = 0.5000 0.2915 0.8241 ( 2752 PWs) bands (ev): -29.7397 -29.7397 -11.1012 -11.1012 -10.7569 -10.7569 -10.6891 -10.6891 1.7373 1.7373 3.2532 3.2532 5.2791 5.2791 5.7991 5.7991 7.0292 7.0292 7.4162 7.4162 7.8583 7.8583 7.9142 7.9142 7.9407 7.9407 8.0192 8.0192 8.1955 8.1955 8.6297 8.6297 8.7656 8.7656 9.1415 9.1415 9.8286 9.8286 10.0520 10.0520 10.1939 10.1939 13.4066 13.4066 14.5302 14.5302 k = 0.5000 0.2915 0.8241 ( 2752 PWs) bands (ev): -29.7397 -29.7397 -11.1012 -11.1012 -10.7569 -10.7569 -10.6891 -10.6891 1.7373 1.7373 3.2532 3.2532 5.2791 5.2791 5.7991 5.7991 7.0292 7.0292 7.4162 7.4162 7.8583 7.8583 7.9142 7.9142 7.9407 7.9407 8.0192 8.0192 8.1955 8.1955 8.6297 8.6297 8.7656 8.7656 9.1415 9.1415 9.8286 9.8286 10.0520 10.0520 10.1939 10.1939 13.4066 13.4066 14.5302 14.5302 k = 0.5000 0.2915 0.8065 ( 2748 PWs) bands (ev): -29.7399 -29.7399 -11.1006 -11.1006 -10.7559 -10.7559 -10.6892 -10.6892 1.7385 1.7385 3.1779 3.1779 5.3058 5.3058 5.8627 5.8627 6.9839 6.9839 7.4105 7.4105 7.8635 7.8635 7.9122 7.9122 7.9397 7.9397 8.0246 8.0246 8.1905 8.1905 8.6102 8.6102 8.7645 8.7645 9.1982 9.1982 9.8296 9.8296 10.1094 10.1094 10.2450 10.2450 13.4015 13.4015 14.5166 14.5166 k = 0.5000 0.2915 0.7890 ( 2740 PWs) bands (ev): -29.7400 -29.7400 -11.0999 -11.0999 -10.7548 -10.7548 -10.6893 -10.6893 1.7394 1.7394 3.1007 3.1007 5.3351 5.3351 5.9265 5.9265 6.9377 6.9377 7.4046 7.4046 7.8659 7.8659 7.9101 7.9101 7.9402 7.9402 8.0314 8.0314 8.1853 8.1853 8.5921 8.5921 8.7632 8.7632 9.2582 9.2582 9.8307 9.8307 10.1700 10.1700 10.3018 10.3018 13.3966 13.3966 14.5022 14.5022 k = 0.5000 0.2915 0.7715 ( 2736 PWs) bands (ev): -29.7401 -29.7401 -11.0992 -11.0992 -10.7537 -10.7537 -10.6894 -10.6894 1.7400 1.7400 3.0223 3.0223 5.3669 5.3669 5.9900 5.9900 6.8908 6.8908 7.3985 7.3985 7.8643 7.8643 7.9068 7.9068 7.9442 7.9442 8.0396 8.0396 8.1797 8.1797 8.5757 8.5757 8.7620 8.7620 9.3213 9.3213 9.8320 9.8320 10.2335 10.2335 10.3639 10.3639 13.3918 13.3918 14.4871 14.4871 k = 0.5000 0.2915 0.7539 ( 2740 PWs) bands (ev): -29.7403 -29.7403 -11.0984 -11.0984 -10.7524 -10.7524 -10.6895 -10.6895 1.7401 1.7401 2.9431 2.9431 5.4012 5.4012 6.0526 6.0526 6.8436 6.8436 7.3926 7.3926 7.8589 7.8589 7.9012 7.9012 7.9526 7.9526 8.0490 8.0490 8.1739 8.1739 8.5613 8.5613 8.7607 8.7607 9.3872 9.3872 9.8336 9.8336 10.2995 10.2995 10.4314 10.4314 13.3873 13.3873 14.4713 14.4713 k = 0.5000 0.2915 0.7364 ( 2742 PWs) bands (ev): -29.7405 -29.7405 -11.0976 -11.0976 -10.7511 -10.7511 -10.6897 -10.6897 1.7397 1.7397 2.8635 2.8635 5.4380 5.4380 6.1140 6.1140 6.7966 6.7966 7.3870 7.3870 7.8503 7.8503 7.8935 7.8935 7.9645 7.9645 8.0595 8.0595 8.1682 8.1682 8.5491 8.5491 8.7593 8.7593 9.4555 9.4555 9.8354 9.8354 10.3680 10.3680 10.5045 10.5045 13.3832 13.3832 14.4548 14.4548 k = 0.5000 0.2915 0.7189 ( 2742 PWs) bands (ev): -29.7407 -29.7407 -11.0967 -11.0967 -10.7497 -10.7497 -10.6898 -10.6898 1.7386 1.7386 2.7838 2.7838 5.4772 5.4772 6.1738 6.1738 6.7500 6.7500 7.3818 7.3818 7.8391 7.8391 7.8842 7.8842 7.9788 7.9788 8.0710 8.0710 8.1627 8.1627 8.5393 8.5393 8.7580 8.7580 9.5259 9.5259 9.8377 9.8377 10.4388 10.4388 10.5833 10.5833 13.3797 13.3797 14.4375 14.4375 k = 0.5000 0.2915 0.7013 ( 2738 PWs) bands (ev): -29.7408 -29.7408 -11.0958 -11.0958 -10.7482 -10.7482 -10.6899 -10.6899 1.7368 1.7368 2.7044 2.7044 5.5188 5.5188 6.2317 6.2317 6.7041 6.7041 7.3772 7.3772 7.8258 7.8258 7.8736 7.8736 7.9944 7.9944 8.0835 8.0835 8.1578 8.1578 8.5320 8.5320 8.7567 8.7567 9.5980 9.5980 9.8408 9.8408 10.5117 10.5117 10.6676 10.6676 13.3769 13.3769 14.4193 14.4193 k = 0.5000 0.2915 0.6838 ( 2734 PWs) bands (ev): -29.7410 -29.7410 -11.0948 -11.0948 -10.7466 -10.7466 -10.6900 -10.6900 1.7342 1.7342 2.6255 2.6255 5.5627 5.5627 6.2876 6.2876 6.6592 6.6592 7.3733 7.3733 7.8105 7.8105 7.8621 7.8621 8.0106 8.0106 8.0965 8.0965 8.1540 8.1540 8.5272 8.5272 8.7555 8.7555 9.6706 9.6706 9.8457 9.8457 10.5865 10.5865 10.7576 10.7576 13.3749 13.3749 14.4000 14.4000 k = 0.5000 0.2915 0.6663 ( 2730 PWs) bands (ev): -29.7412 -29.7412 -11.0938 -11.0938 -10.7450 -10.7450 -10.6902 -10.6902 1.7307 1.7307 2.5473 2.5473 5.6090 5.6090 6.3413 6.3413 6.6155 6.6155 7.3703 7.3703 7.7935 7.7935 7.8499 7.8499 8.0262 8.0262 8.1101 8.1101 8.1525 8.1525 8.5247 8.5247 8.7544 8.7544 9.7401 9.7401 9.8558 9.8558 10.6632 10.6632 10.8530 10.8530 13.3738 13.3738 14.3795 14.3795 k = 0.5000 0.2915 0.6487 ( 2730 PWs) bands (ev): -29.7415 -29.7415 -11.0928 -11.0928 -10.7433 -10.7433 -10.6903 -10.6903 1.7262 1.7262 2.4700 2.4700 5.6575 5.6575 6.3927 6.3927 6.5732 6.5732 7.3682 7.3682 7.7750 7.7750 7.8371 7.8371 8.0397 8.0397 8.1240 8.1240 8.1547 8.1547 8.5245 8.5245 8.7533 8.7533 9.7937 9.7937 9.8838 9.8838 10.7417 10.7417 10.9537 10.9537 13.3736 13.3736 14.3570 14.3571 k = 0.5000 0.2915 0.6312 ( 2738 PWs) bands (ev): -29.7417 -29.7417 -11.0918 -11.0918 -10.7415 -10.7415 -10.6904 -10.6904 1.7206 1.7206 2.3937 2.3937 5.7082 5.7082 6.4414 6.4414 6.5326 6.5326 7.3673 7.3673 7.7551 7.7551 7.8235 7.8235 8.0494 8.0494 8.1381 8.1381 8.1624 8.1624 8.5264 8.5264 8.7524 8.7524 9.8177 9.8177 9.9433 9.9433 10.8219 10.8219 11.0596 11.0596 13.3746 13.3746 14.2780 14.2780 k = 0.5000 0.2915 0.6137 ( 2732 PWs) bands (ev): -29.7419 -29.7419 -11.0906 -11.0906 -10.7396 -10.7396 -10.6906 -10.6906 1.7140 1.7140 2.3186 2.3186 5.7611 5.7611 6.4831 6.4831 6.4986 6.4986 7.3676 7.3676 7.7342 7.7342 7.8097 7.8097 8.0541 8.0541 8.1531 8.1531 8.1759 8.1759 8.5305 8.5305 8.7518 8.7518 9.8266 9.8266 10.0196 10.0196 10.9038 10.9038 11.1705 11.1705 13.3769 13.3769 14.1905 14.1906 k = 0.5000 0.2915 0.5961 ( 2732 PWs) bands (ev): -29.7421 -29.7421 -11.0895 -11.0895 -10.7378 -10.7378 -10.6907 -10.6907 1.7062 1.7062 2.2448 2.2448 5.8160 5.8160 6.4546 6.4546 6.5340 6.5340 7.3692 7.3692 7.7125 7.7125 7.7955 7.7955 8.0540 8.0540 8.1698 8.1698 8.1943 8.1943 8.5362 8.5362 8.7515 8.7515 9.8312 9.8312 10.1019 10.1019 10.9872 10.9872 11.2861 11.2861 13.3806 13.3806 14.1036 14.1036 k = 0.5000 0.2915 0.5786 ( 2728 PWs) bands (ev): -29.7424 -29.7424 -11.0883 -11.0883 -10.7358 -10.7358 -10.6908 -10.6908 1.6972 1.6972 2.1724 2.1724 5.8730 5.8730 6.4194 6.4194 6.5758 6.5758 7.3722 7.3722 7.6901 7.6901 7.7809 7.7809 8.0506 8.0506 8.1874 8.1874 8.2167 8.2167 8.5436 8.5436 8.7515 8.7515 9.8341 9.8341 10.1874 10.1874 11.0722 11.0722 11.4060 11.4060 13.3858 13.3858 14.0175 14.0175 k = 0.5000 0.2915 0.5611 ( 2716 PWs) bands (ev): -29.7426 -29.7426 -11.0871 -11.0871 -10.7338 -10.7338 -10.6908 -10.6908 1.6870 1.6870 2.1016 2.1016 5.9320 5.9320 6.3858 6.3858 6.6156 6.6156 7.3768 7.3768 7.6672 7.6672 7.7661 7.7661 8.0449 8.0449 8.2054 8.2054 8.2426 8.2426 8.5525 8.5525 8.7520 8.7520 9.8364 9.8364 10.2749 10.2749 11.1588 11.1588 11.5300 11.5300 13.3926 13.3926 13.9328 13.9328 k = 0.5000 0.2915 0.5435 ( 2716 PWs) bands (ev): -29.7428 -29.7428 -11.0859 -11.0859 -10.7317 -10.7317 -10.6909 -10.6909 1.6757 1.6757 2.0323 2.0323 5.9928 5.9928 6.3540 6.3540 6.6534 6.6534 7.3827 7.3827 7.6440 7.6440 7.7511 7.7511 8.0376 8.0376 8.2234 8.2234 8.2713 8.2713 8.5625 8.5625 8.7531 8.7531 9.8382 9.8382 10.3639 10.3639 11.2469 11.2469 11.6577 11.6577 13.4014 13.4014 13.8497 13.8497 k = 0.5000 0.2915 0.5260 ( 2716 PWs) bands (ev): -29.7431 -29.7431 -11.0848 -11.0848 -10.7297 -10.7297 -10.6910 -10.6910 1.6632 1.6632 1.9647 1.9647 6.0554 6.0554 6.3241 6.3241 6.6891 6.6891 7.3902 7.3902 7.6208 7.6208 7.7359 7.7359 8.0294 8.0294 8.2414 8.2414 8.3023 8.3023 8.5736 8.5736 8.7548 8.7548 9.8396 9.8396 10.4540 10.4540 11.3365 11.3365 11.7887 11.7887 13.4123 13.4123 13.7688 13.7688 k = 0.5000 0.2915 0.5085 ( 2712 PWs) bands (ev): -29.7433 -29.7433 -11.0835 -11.0835 -10.7276 -10.7276 -10.6911 -10.6911 1.6495 1.6495 1.8989 1.8989 6.1197 6.1197 6.2961 6.2961 6.7229 6.7229 7.3992 7.3992 7.5975 7.5975 7.7208 7.7208 8.0206 8.0206 8.2591 8.2591 8.3355 8.3355 8.5856 8.5856 8.7573 8.7573 9.8407 9.8407 10.5449 10.5449 11.4275 11.4275 11.9223 11.9223 13.4257 13.4257 13.6903 13.6903 k = 0.5000 0.2915 0.4909 ( 2708 PWs) bands (ev): -29.7436 -29.7436 -11.0823 -11.0823 -10.7254 -10.7254 -10.6911 -10.6911 1.6348 1.6348 1.8348 1.8348 6.1853 6.1853 6.2702 6.2702 6.7549 6.7549 7.4096 7.4096 7.5745 7.5745 7.7056 7.7056 8.0112 8.0112 8.2765 8.2765 8.3704 8.3704 8.5984 8.5984 8.7607 8.7607 9.8417 9.8417 10.6363 10.6363 11.5199 11.5199 12.0580 12.0580 13.4419 13.4419 13.6149 13.6149 k = 0.5000 0.2915 0.4734 ( 2708 PWs) bands (ev): -29.7438 -29.7438 -11.0811 -11.0811 -10.7233 -10.7233 -10.6912 -10.6912 1.6191 1.6191 1.7727 1.7727 6.2408 6.2408 6.2578 6.2578 6.7852 6.7852 7.4214 7.4214 7.5520 7.5520 7.6904 7.6904 8.0015 8.0015 8.2935 8.2935 8.4069 8.4069 8.6119 8.6119 8.7653 8.7653 9.8424 9.8424 10.7276 10.7276 11.6137 11.6137 12.1950 12.1950 13.4614 13.4614 13.5429 13.5429 k = 0.5000 0.2915 0.4559 ( 2704 PWs) bands (ev): -29.7440 -29.7440 -11.0799 -11.0799 -10.7211 -10.7211 -10.6912 -10.6912 1.6024 1.6024 1.7124 1.7124 6.2217 6.2217 6.3230 6.3230 6.8139 6.8139 7.4341 7.4341 7.5302 7.5302 7.6754 7.6754 7.9915 7.9915 8.3099 8.3099 8.4448 8.4448 8.6259 8.6259 8.7712 8.7712 9.8429 9.8429 10.8185 10.8185 11.7089 11.7089 12.3323 12.3323 13.4738 13.4738 13.4863 13.4863 k = 0.5000 0.2915 0.4383 ( 2712 PWs) bands (ev): -29.7443 -29.7443 -11.0787 -11.0787 -10.7190 -10.7190 -10.6913 -10.6913 1.5849 1.5849 1.6542 1.6542 6.2008 6.2008 6.3929 6.3929 6.8411 6.8411 7.4469 7.4469 7.5101 7.5101 7.6607 7.6607 7.9813 7.9813 8.3252 8.3252 8.4842 8.4842 8.6405 8.6405 8.7784 8.7784 9.8431 9.8431 10.9081 10.9081 11.8052 11.8052 12.4687 12.4687 13.4115 13.4115 13.5140 13.5140 k = 0.5000 0.2915 0.4208 ( 2712 PWs) bands (ev): -29.7445 -29.7445 -11.0775 -11.0775 -10.7169 -10.7169 -10.6913 -10.6913 1.5666 1.5666 1.5980 1.5980 6.1812 6.1812 6.4642 6.4642 6.8669 6.8669 7.4559 7.4559 7.4954 7.4954 7.6464 7.6464 7.9709 7.9709 8.3396 8.3396 8.5248 8.5248 8.6557 8.6557 8.7874 8.7874 9.8430 9.8430 10.9960 10.9960 11.9028 11.9028 12.6025 12.6025 13.3539 13.3539 13.5489 13.5489 k = 0.5000 0.2915 0.4033 ( 2716 PWs) bands (ev): -29.7448 -29.7448 -11.0763 -11.0763 -10.7147 -10.7147 -10.6913 -10.6913 1.5437 1.5437 1.5478 1.5478 6.1631 6.1631 6.5365 6.5365 6.8915 6.8915 7.4510 7.4510 7.4961 7.4961 7.6326 7.6326 7.9605 7.9605 8.3527 8.3527 8.5661 8.5661 8.6718 8.6718 8.7980 8.7980 9.8427 9.8427 11.0810 11.0810 12.0016 12.0016 12.7318 12.7318 13.3027 13.3027 13.5360 13.5360 k = 0.5000 0.2915 0.3857 ( 2716 PWs) bands (ev): -29.7450 -29.7450 -11.0752 -11.0752 -10.7126 -10.7126 -10.6913 -10.6913 1.4917 1.4917 1.5284 1.5284 6.1463 6.1463 6.6096 6.6096 6.9149 6.9149 7.4351 7.4351 7.5088 7.5088 7.6199 7.6199 7.9501 7.9501 8.3642 8.3642 8.6080 8.6080 8.6892 8.6892 8.8106 8.8106 9.8420 9.8420 11.1622 11.1622 12.1015 12.1015 12.8539 12.8539 13.2590 13.2590 13.4288 13.4288 k = 0.5000 0.2915 0.3682 ( 2720 PWs) bands (ev): -29.7453 -29.7453 -11.0741 -11.0741 -10.7106 -10.7106 -10.6913 -10.6913 1.4417 1.4417 1.5087 1.5087 6.1308 6.1308 6.6835 6.6835 6.9371 6.9371 7.4169 7.4169 7.5239 7.5239 7.6090 7.6090 7.9397 7.9397 8.3739 8.3739 8.6489 8.6489 8.7090 8.7090 8.8251 8.8251 9.8409 9.8409 11.2385 11.2385 12.2024 12.2024 12.9660 12.9660 13.2240 13.2240 13.3178 13.3178 k = 0.5000 0.2915 0.3507 ( 2726 PWs) bands (ev): -29.7455 -29.7455 -11.0730 -11.0730 -10.7085 -10.7085 -10.6913 -10.6913 1.3939 1.3939 1.4887 1.4887 6.1165 6.1165 6.7577 6.7577 6.9585 6.9585 7.3984 7.3984 7.5367 7.5367 7.6025 7.6025 7.9291 7.9291 8.3818 8.3818 8.6858 8.6858 8.7343 8.7343 8.8418 8.8418 9.8392 9.8392 11.3083 11.3083 12.3042 12.3042 13.0651 13.0651 13.1973 13.1973 13.2067 13.2067 k = 0.5000 0.2915 0.3331 ( 2714 PWs) bands (ev): -29.7457 -29.7457 -11.0719 -11.0719 -10.7065 -10.7065 -10.6912 -10.6912 1.3482 1.3482 1.4687 1.4687 6.1033 6.1033 6.8321 6.8321 6.9790 6.9790 7.3805 7.3805 7.5425 7.5425 7.6045 7.6045 7.9190 7.9190 8.3878 8.3878 8.7151 8.7151 8.7683 8.7683 8.8612 8.8612 9.8371 9.8371 11.3705 11.3705 12.4069 12.4069 13.0841 13.0841 13.1548 13.1548 13.1878 13.1878 k = 0.5000 0.2915 0.3156 ( 2710 PWs) bands (ev): -29.7459 -29.7459 -11.0708 -11.0708 -10.7045 -10.7045 -10.6912 -10.6912 1.3048 1.3048 1.4486 1.4486 6.0911 6.0911 6.9062 6.9062 6.9989 6.9989 7.3631 7.3631 7.5394 7.5394 7.6164 7.6164 7.9091 7.9091 8.3917 8.3917 8.7381 8.7381 8.8087 8.8087 8.8840 8.8840 9.8344 9.8344 11.4235 11.4235 12.5101 12.5101 12.9695 12.9695 13.1828 13.1828 13.2308 13.2308 k = 0.5000 0.2915 0.2981 ( 2714 PWs) bands (ev): -29.7461 -29.7461 -11.0698 -11.0698 -10.7026 -10.7026 -10.6911 -10.6911 1.2636 1.2636 1.4288 1.4288 6.0799 6.0799 6.9781 6.9781 7.0200 7.0200 7.3464 7.3464 7.5312 7.5312 7.6339 7.6339 7.8993 7.8993 8.3935 8.3935 8.7581 8.7581 8.8500 8.8500 8.9114 8.9114 9.8310 9.8310 11.4665 11.4665 12.6137 12.6137 12.8532 12.8532 13.1960 13.1960 13.2935 13.2935 k = 0.5000 0.2915 0.2805 ( 2718 PWs) bands (ev): -29.7463 -29.7463 -11.0689 -11.0689 -10.7007 -10.7007 -10.6911 -10.6911 1.2247 1.2247 1.4092 1.4092 6.0696 6.0696 7.0270 7.0270 7.0626 7.0626 7.3307 7.3307 7.5211 7.5211 7.6538 7.6538 7.8900 7.8900 8.3934 8.3934 8.7768 8.7768 8.8886 8.8886 8.9456 8.9456 9.8267 9.8267 11.4987 11.4987 12.7127 12.7127 12.7422 12.7422 13.2225 13.2225 13.3488 13.3488 k = 0.5000 0.2915 0.2630 ( 2714 PWs) bands (ev): -29.7465 -29.7465 -11.0679 -11.0679 -10.6989 -10.6989 -10.6910 -10.6910 1.1880 1.1880 1.3901 1.3901 6.0601 6.0601 7.0474 7.0474 7.1322 7.1322 7.3158 7.3158 7.5104 7.5104 7.6746 7.6746 7.8812 7.8812 8.3913 8.3913 8.7949 8.7949 8.9233 8.9233 8.9873 8.9873 9.8216 9.8216 11.5202 11.5202 12.6210 12.6210 12.8235 12.8235 13.2624 13.2624 13.3987 13.3987 k = 0.5000 0.2915 0.2455 ( 2722 PWs) bands (ev): -29.7467 -29.7467 -11.0671 -11.0671 -10.6972 -10.6972 -10.6910 -10.6910 1.1536 1.1536 1.3716 1.3716 6.0514 6.0514 7.0641 7.0641 7.2034 7.2034 7.3021 7.3021 7.4998 7.4998 7.6952 7.6952 7.8729 7.8729 8.3873 8.3873 8.8121 8.8121 8.9558 8.9558 9.0338 9.0338 9.8154 9.8154 11.5315 11.5315 12.5086 12.5086 12.9273 12.9273 13.3149 13.3149 13.4447 13.4447 k = 0.5000 0.2915 0.2279 ( 2732 PWs) bands (ev): -29.7469 -29.7469 -11.0663 -11.0663 -10.6956 -10.6956 -10.6910 -10.6910 1.1215 1.1215 1.3538 1.3538 6.0435 6.0435 7.0795 7.0795 7.2708 7.2708 7.2920 7.2920 7.4895 7.4895 7.7151 7.7151 7.8656 7.8656 8.3816 8.3816 8.8281 8.8281 8.9883 8.9883 9.0827 9.0827 9.8079 9.8079 11.5336 11.5336 12.3988 12.3988 13.0309 13.0309 13.3784 13.3784 13.4885 13.4885 k = 0.5000 0.2915 0.2104 ( 2732 PWs) bands (ev): -29.7470 -29.7470 -11.0655 -11.0655 -10.6941 -10.6941 -10.6909 -10.6909 1.0918 1.0918 1.3368 1.3368 6.0364 6.0364 7.0938 7.0938 7.2755 7.2755 7.3435 7.3435 7.4803 7.4803 7.7338 7.7338 7.8597 7.8597 8.3742 8.3742 8.8434 8.8434 9.0219 9.0219 9.1326 9.1326 9.7991 9.7991 11.5279 11.5279 12.2925 12.2925 13.1337 13.1337 13.4505 13.4505 13.5310 13.5310 k = 0.5000 0.2915 0.1929 ( 2728 PWs) bands (ev): -29.7472 -29.7472 -11.0648 -11.0648 -10.6927 -10.6927 -10.6908 -10.6908 1.0644 1.0644 1.3207 1.3207 6.0298 6.0298 7.1072 7.1072 7.2651 7.2651 7.4060 7.4060 7.4746 7.4746 7.7504 7.7504 7.8556 7.8556 8.3652 8.3652 8.8578 8.8578 9.0572 9.0572 9.1826 9.1826 9.7887 9.7887 11.5159 11.5159 12.1905 12.1905 13.2352 13.2352 13.5282 13.5282 13.5736 13.5736 k = 0.5000 0.2915 0.1753 ( 2728 PWs) bands (ev): -29.7473 -29.7473 -11.0641 -11.0641 -10.6914 -10.6914 -10.6906 -10.6906 1.0393 1.0393 1.3057 1.3057 6.0240 6.0240 7.1195 7.1195 7.2556 7.2556 7.4433 7.4433 7.4924 7.4924 7.7643 7.7643 7.8539 7.8539 8.3546 8.3546 8.8709 8.8709 9.0941 9.0941 9.2317 9.2317 9.7765 9.7765 11.4991 11.4991 12.0934 12.0934 13.3348 13.3348 13.6024 13.6024 13.6224 13.6224 k = 0.5000 0.2915 0.1578 ( 2728 PWs) bands (ev): -29.7474 -29.7474 -11.0635 -11.0635 -10.6908 -10.6908 -10.6900 -10.6900 1.0166 1.0166 1.2918 1.2918 6.0187 6.0187 7.1307 7.1307 7.2473 7.2473 7.4428 7.4428 7.5455 7.5455 7.7748 7.7748 7.8554 7.8554 8.3426 8.3426 8.8828 8.8828 9.1328 9.1328 9.2794 9.2794 9.7624 9.7624 11.4790 11.4790 12.0021 12.0021 13.4316 13.4316 13.6514 13.6514 13.6952 13.6952 k = 0.5000 0.2915 0.1403 ( 2728 PWs) bands (ev): -29.7475 -29.7475 -11.0629 -11.0629 -10.6907 -10.6907 -10.6889 -10.6889 0.9962 0.9962 1.2791 1.2791 6.0140 6.0140 7.1406 7.1406 7.2404 7.2404 7.4362 7.4362 7.6013 7.6013 7.7820 7.7820 7.8602 7.8602 8.3294 8.3294 8.8936 8.8936 9.1730 9.1730 9.3250 9.3250 9.7459 9.7459 11.4569 11.4569 11.9174 11.9174 13.5247 13.5247 13.6939 13.6939 13.7683 13.7683 k = 0.5000 0.2915 0.1227 ( 2730 PWs) bands (ev): -29.7477 -29.7477 -11.0624 -11.0624 -10.6906 -10.6906 -10.6879 -10.6879 0.9782 0.9782 1.2678 1.2678 6.0099 6.0099 7.1491 7.1491 7.2349 7.2349 7.4291 7.4291 7.6531 7.6531 7.7876 7.7876 7.8674 7.8674 8.3149 8.3149 8.9032 8.9032 9.2146 9.2146 9.3677 9.3677 9.7271 9.7271 11.4340 11.4340 11.8400 11.8400 13.6131 13.6131 13.7360 13.7360 13.8297 13.8297 k = 0.5000 0.2915 0.1052 ( 2730 PWs) bands (ev): -29.7477 -29.7477 -11.0620 -11.0620 -10.6906 -10.6906 -10.6871 -10.6871 0.9626 0.9626 1.2577 1.2577 6.0064 6.0064 7.1559 7.1559 7.2310 7.2310 7.4224 7.4224 7.6973 7.6973 7.7949 7.7949 7.8758 7.8758 8.2996 8.2996 8.9116 8.9116 9.2572 9.2572 9.4069 9.4069 9.7056 9.7056 11.4115 11.4115 11.7708 11.7708 13.6952 13.6952 13.7778 13.7778 13.8732 13.8732 k = 0.5000 0.2915 0.0877 ( 2728 PWs) bands (ev): -29.7478 -29.7478 -11.0616 -11.0616 -10.6905 -10.6905 -10.6863 -10.6863 0.9494 0.9494 1.2492 1.2492 6.0034 6.0034 7.1610 7.1610 7.2288 7.2288 7.4163 7.4163 7.7288 7.7288 7.8093 7.8093 7.8841 7.8841 8.2838 8.2838 8.9187 8.9187 9.3005 9.3005 9.4417 9.4417 9.6815 9.6815 11.3904 11.3904 11.7106 11.7106 13.7692 13.7692 13.8188 13.8188 13.8972 13.8972 k = 0.5000 0.2915 0.0701 ( 2736 PWs) bands (ev): -29.7479 -29.7479 -11.0614 -11.0614 -10.6905 -10.6905 -10.6857 -10.6857 0.9386 0.9386 1.2421 1.2421 6.0010 6.0010 7.1644 7.1644 7.2278 7.2278 7.4111 7.4111 7.7446 7.7446 7.8334 7.8334 7.8916 7.8916 8.2680 8.2680 8.9244 8.9244 9.3440 9.3440 9.4715 9.4715 9.6545 9.6545 11.3717 11.3717 11.6601 11.6601 13.8325 13.8325 13.8568 13.8568 13.9078 13.9078 k = 0.5000 0.2915 0.0526 ( 2740 PWs) bands (ev): -29.7479 -29.7479 -11.0612 -11.0612 -10.6905 -10.6905 -10.6853 -10.6853 0.9302 0.9302 1.2365 1.2365 5.9990 5.9990 7.1665 7.1665 7.2279 7.2279 7.4068 7.4068 7.7508 7.7508 7.8608 7.8608 7.8979 7.8979 8.2532 8.2532 8.9289 8.9289 9.3873 9.3873 9.4953 9.4953 9.6248 9.6248 11.3562 11.3562 11.6201 11.6201 13.8746 13.8746 13.8893 13.8893 13.9220 13.9220 k = 0.5000 0.2915 0.0351 ( 2748 PWs) bands (ev): -29.7480 -29.7480 -11.0610 -11.0610 -10.6904 -10.6904 -10.6850 -10.6850 0.9242 0.9242 1.2325 1.2325 5.9975 5.9975 7.1676 7.1676 7.2285 7.2285 7.4036 7.4036 7.7530 7.7530 7.8844 7.8844 7.9025 7.9025 8.2408 8.2408 8.9322 8.9322 9.4296 9.4296 9.5121 9.5121 9.5931 9.5931 11.3446 11.3446 11.5910 11.5910 13.8795 13.8795 13.9254 13.9254 13.9486 13.9486 k = 0.5000 0.2915 0.0175 ( 2748 PWs) bands (ev): -29.7480 -29.7480 -11.0609 -11.0609 -10.6904 -10.6904 -10.6848 -10.6848 0.9206 0.9206 1.2301 1.2301 5.9967 5.9967 7.1680 7.1680 7.2290 7.2290 7.4017 7.4017 7.7537 7.7537 7.9001 7.9001 7.9053 7.9053 8.2323 8.2323 8.9343 8.9343 9.4700 9.4700 9.5197 9.5197 9.5622 9.5622 11.3374 11.3374 11.5734 11.5734 13.8769 13.8769 13.9499 13.9499 13.9708 13.9708 k = 0.5000 0.2915 0.0000 ( 2748 PWs) bands (ev): -29.7480 -29.7480 -11.0609 -11.0609 -10.6904 -10.6904 -10.6847 -10.6847 0.9194 0.9194 1.2293 1.2293 5.9964 5.9964 7.1682 7.1682 7.2292 7.2292 7.4010 7.4010 7.7539 7.7539 7.9055 7.9055 7.9064 7.9064 8.2293 8.2293 8.9349 8.9349 9.5019 9.5019 9.5083 9.5083 9.5472 9.5472 11.3350 11.3350 11.5675 11.5675 13.8755 13.8755 13.9586 13.9586 13.9791 13.9791 k = 0.0000 0.0000 0.9928 ( 2756 PWs) bands (ev): -29.7391 -29.7391 -11.1041 -11.1041 -10.7614 -10.7614 -10.6887 -10.6887 1.7273 1.7273 3.6985 3.6985 5.1585 5.1585 5.4005 5.4005 7.2977 7.2977 7.4317 7.4317 7.8184 7.8184 7.9306 7.9306 7.9308 7.9308 8.0120 8.0120 8.2187 8.2187 8.7658 8.7658 8.7676 8.7676 8.8562 8.8562 9.7447 9.7447 9.8235 9.8235 9.9664 9.9664 13.4361 13.4361 14.6028 14.6028 k = 0.0147 0.0086 0.9928 ( 2752 PWs) bands (ev): -29.7391 -29.7391 -11.1041 -11.1041 -10.7614 -10.7614 -10.6886 -10.6886 1.7274 1.7274 3.6983 3.6983 5.1589 5.1589 5.3999 5.3999 7.2990 7.2990 7.4328 7.4328 7.8173 7.8173 7.9192 7.9192 7.9417 7.9417 8.0125 8.0125 8.2183 8.2183 8.7655 8.7655 8.7682 8.7682 8.8573 8.8573 9.7381 9.7381 9.8279 9.8279 9.9664 9.9664 13.4300 13.4300 14.6073 14.6073 k = 0.0294 0.0171 0.9928 ( 2750 PWs) bands (ev): -29.7391 -29.7391 -11.1041 -11.1041 -10.7614 -10.7614 -10.6886 -10.6886 1.7275 1.7275 3.6977 3.6977 5.1602 5.1602 5.3979 5.3979 7.3027 7.3027 7.4360 7.4360 7.8140 7.8140 7.9072 7.9072 7.9520 7.9520 8.0140 8.0140 8.2172 8.2172 8.7648 8.7648 8.7693 8.7693 8.8607 8.8607 9.7212 9.7212 9.8382 9.8382 9.9663 9.9663 13.4122 13.4122 14.6208 14.6208 k = 0.0441 0.0257 0.9928 ( 2742 PWs) bands (ev): -29.7391 -29.7391 -11.1040 -11.1040 -10.7614 -10.7614 -10.6886 -10.6886 1.7278 1.7278 3.6967 3.6967 5.1624 5.1624 5.3948 5.3948 7.3088 7.3088 7.4413 7.4413 7.8086 7.8086 7.8947 7.8947 7.9618 7.9618 8.0164 8.0164 8.2152 8.2152 8.7644 8.7644 8.7707 8.7707 8.8663 8.8663 9.6983 9.6983 9.8503 9.8503 9.9662 9.9662 13.3843 13.3843 14.6432 14.6432 k = 0.0588 0.0343 0.9928 ( 2742 PWs) bands (ev): -29.7391 -29.7391 -11.1040 -11.1040 -10.7614 -10.7614 -10.6886 -10.6886 1.7281 1.7281 3.6954 3.6954 5.1654 5.1654 5.3904 5.3904 7.3173 7.3173 7.4486 7.4486 7.8012 7.8012 7.8816 7.8816 7.9709 7.9709 8.0196 8.0196 8.2125 8.2125 8.7640 8.7640 8.7720 8.7720 8.8744 8.8744 9.6715 9.6715 9.8623 9.8623 9.9660 9.9660 13.3485 13.3485 14.6742 14.6742 k = 0.0735 0.0429 0.9928 ( 2742 PWs) bands (ev): -29.7391 -29.7391 -11.1040 -11.1040 -10.7614 -10.7614 -10.6886 -10.6886 1.7285 1.7285 3.6937 3.6937 5.1692 5.1692 5.3849 5.3849 7.3280 7.3280 7.4578 7.4578 7.7919 7.7919 7.8681 7.8681 7.9791 7.9791 8.0238 8.0238 8.2091 8.2091 8.7638 8.7638 8.7731 8.7731 8.8848 8.8848 9.6417 9.6417 9.8734 9.8734 9.9657 9.9657 13.3070 13.3070 14.7133 14.7133 k = 0.0882 0.0514 0.9928 ( 2742 PWs) bands (ev): -29.7391 -29.7391 -11.1040 -11.1040 -10.7614 -10.7614 -10.6886 -10.6886 1.7290 1.7290 3.6918 3.6918 5.1738 5.1738 5.3783 5.3783 7.3408 7.3408 7.4688 7.4688 7.7809 7.7809 7.8540 7.8540 7.9864 7.9864 8.0288 8.0288 8.2050 8.2050 8.7638 8.7638 8.7741 8.7741 8.8977 8.8977 9.6094 9.6094 9.8834 9.8834 9.9654 9.9654 13.2623 13.2623 14.7603 14.7603 k = 0.1029 0.0600 0.9928 ( 2746 PWs) bands (ev): -29.7391 -29.7391 -11.1040 -11.1040 -10.7614 -10.7614 -10.6886 -10.6886 1.7295 1.7295 3.6897 3.6897 5.1793 5.1793 5.3707 5.3707 7.3556 7.3556 7.4813 7.4813 7.7682 7.7682 7.8394 7.8394 7.9927 7.9927 8.0345 8.0345 8.2004 8.2004 8.7638 8.7638 8.7748 8.7748 8.9132 8.9132 9.5751 9.5751 9.8924 9.8924 9.9650 9.9650 13.2162 13.2162 14.8145 14.8145 k = 0.1176 0.0686 0.9928 ( 2748 PWs) bands (ev): -29.7391 -29.7391 -11.1040 -11.1040 -10.7614 -10.7614 -10.6886 -10.6886 1.7300 1.7300 3.6875 3.6875 5.1854 5.1854 5.3623 5.3623 7.3721 7.3721 7.4954 7.4954 7.7540 7.7540 7.8243 7.8243 7.9981 7.9981 8.0409 8.0409 8.1953 8.1953 8.7640 8.7640 8.7754 8.7754 8.9310 8.9310 9.5392 9.5392 9.9002 9.9002 9.9646 9.9646 13.1706 13.1706 14.8753 14.8753 k = 0.1324 0.0772 0.9928 ( 2754 PWs) bands (ev): -29.7391 -29.7391 -11.1041 -11.1041 -10.7614 -10.7614 -10.6887 -10.6887 1.7306 1.7306 3.6852 3.6852 5.1924 5.1924 5.3532 5.3532 7.3903 7.3903 7.5106 7.5106 7.7383 7.7383 7.8087 7.8087 8.0026 8.0026 8.0478 8.0478 8.1898 8.1898 8.7641 8.7641 8.7758 8.7758 8.9513 8.9513 9.5018 9.5018 9.9069 9.9069 9.9641 9.9641 13.1267 13.1267 14.9421 14.9421 k = 0.1471 0.0857 0.9928 ( 2748 PWs) bands (ev): -29.7391 -29.7391 -11.1040 -11.1040 -10.7614 -10.7614 -10.6886 -10.6886 1.7312 1.7312 3.6830 3.6830 5.2000 5.2000 5.3434 5.3434 7.4098 7.4098 7.5269 7.5269 7.7215 7.7215 7.7926 7.7926 8.0065 8.0065 8.0551 8.0551 8.1840 8.1840 8.7644 8.7644 8.7761 8.7761 8.9739 8.9739 9.4635 9.4635 9.9129 9.9129 9.9635 9.9635 13.0859 13.0859 15.0141 15.0141 k = 0.1618 0.0943 0.9928 ( 2748 PWs) bands (ev): -29.7391 -29.7391 -11.1040 -11.1040 -10.7614 -10.7614 -10.6886 -10.6886 1.7317 1.7317 3.6809 3.6809 5.2083 5.2083 5.3330 5.3330 7.4304 7.4304 7.5441 7.5441 7.7035 7.7035 7.7761 7.7761 8.0097 8.0097 8.0624 8.0624 8.1780 8.1780 8.7647 8.7647 8.7763 8.7763 8.9987 8.9987 9.4244 9.4244 9.9179 9.9179 9.9629 9.9629 13.0489 13.0489 15.0906 15.0906 k = 0.1765 0.1029 0.9928 ( 2752 PWs) bands (ev): -29.7391 -29.7391 -11.1040 -11.1040 -10.7614 -10.7614 -10.6887 -10.6887 1.7322 1.7322 3.6790 3.6790 5.2171 5.2171 5.3223 5.3223 7.4519 7.4519 7.5617 7.5617 7.6845 7.6845 7.7591 7.7591 8.0122 8.0122 8.0695 8.0695 8.1721 8.1721 8.7650 8.7650 8.7763 8.7763 9.0257 9.0257 9.3850 9.3850 9.9221 9.9221 9.9623 9.9623 13.0164 13.0164 15.1706 15.1706 k = 0.1912 0.1114 0.9928 ( 2756 PWs) bands (ev): -29.7391 -29.7391 -11.1041 -11.1041 -10.7614 -10.7614 -10.6886 -10.6886 1.7326 1.7326 3.6774 3.6774 5.2266 5.2266 5.3112 5.3112 7.4739 7.4739 7.5796 7.5796 7.6649 7.6649 7.7418 7.7418 8.0142 8.0142 8.0764 8.0764 8.1664 8.1664 8.7653 8.7653 8.7762 8.7762 9.0547 9.0547 9.3455 9.3455 9.9256 9.9256 9.9617 9.9617 12.9892 12.9892 15.2534 15.2534 k = 0.2059 0.1200 0.9928 ( 2756 PWs) bands (ev): -29.7391 -29.7391 -11.1041 -11.1041 -10.7615 -10.7615 -10.6886 -10.6886 1.7329 1.7329 3.6760 3.6760 5.2364 5.2364 5.3000 5.3000 7.4962 7.4962 7.5968 7.5968 7.6453 7.6453 7.7246 7.7246 8.0158 8.0158 8.0825 8.0825 8.1610 8.1610 8.7655 8.7655 8.7761 8.7761 9.0854 9.0854 9.3063 9.3063 9.9283 9.9283 9.9611 9.9611 12.9676 12.9676 15.3379 15.3379 k = 0.2206 0.1286 0.9928 ( 2748 PWs) bands (ev): -29.7391 -29.7391 -11.1041 -11.1041 -10.7614 -10.7614 -10.6886 -10.6886 1.7332 1.7332 3.6750 3.6750 5.2467 5.2467 5.2887 5.2887 7.5180 7.5180 7.6089 7.6089 7.6303 7.6303 7.7078 7.7078 8.0170 8.0170 8.0876 8.0876 8.1567 8.1567 8.7658 8.7658 8.7761 8.7761 9.1177 9.1177 9.2680 9.2680 9.9303 9.9303 9.9606 9.9606 12.9519 12.9519 15.4231 15.4235 k = 0.2353 0.1372 0.9928 ( 2752 PWs) bands (ev): -29.7391 -29.7391 -11.1041 -11.1041 -10.7615 -10.7615 -10.6886 -10.6886 1.7334 1.7334 3.6744 3.6744 5.2573 5.2573 5.2776 5.2776 7.5377 7.5377 7.6001 7.6001 7.6355 7.6355 7.6929 7.6929 8.0177 8.0177 8.0909 8.0909 8.1537 8.1537 8.7660 8.7660 8.7759 8.7759 9.1506 9.1506 9.2313 9.2313 9.9316 9.9316 9.9603 9.9603 12.9424 12.9424 15.4849 15.4850 k = 0.2500 0.1457 0.9928 ( 2748 PWs) bands (ev): -29.7391 -29.7391 -11.1041 -11.1041 -10.7615 -10.7615 -10.6886 -10.6886 1.7334 1.7334 3.6741 3.6741 5.2643 5.2643 5.2703 5.2703 7.5480 7.5480 7.5912 7.5912 7.6421 7.6421 7.6855 7.6855 8.0179 8.0179 8.0920 8.0920 8.1528 8.1528 8.7661 8.7661 8.7759 8.7759 9.1746 9.1746 9.2061 9.2061 9.9321 9.9321 9.9600 9.9600 12.9393 12.9393 15.4858 15.4858 Writing output data file CaxSiNix2.save init_run : 0.34s CPU 0.75s WALL ( 1 calls) electrons : 253.36s CPU 257.60s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.08s WALL ( 1 calls) potinit : 0.02s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 253.36s CPU 257.60s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.06s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.05s WALL ( 364 calls) cegterg : 236.36s CPU 239.31s WALL ( 833 calls) Called by sum_band: Called by *egterg: h_psi : 145.32s CPU 147.36s WALL ( 14044 calls) s_psi : 9.16s CPU 8.94s WALL ( 14044 calls) g_psi : 0.24s CPU 0.24s WALL ( 12847 calls) cdiaghg : 78.43s CPU 79.66s WALL ( 13211 calls) cegterg:over : 6.18s CPU 6.19s WALL ( 12847 calls) cegterg:upda : 4.71s CPU 4.83s WALL ( 12847 calls) cegterg:last : 2.76s CPU 2.75s WALL ( 2126 calls) cdiaghg:chol : 4.10s CPU 4.33s WALL ( 13211 calls) cdiaghg:inve : 2.84s CPU 2.88s WALL ( 13211 calls) cdiaghg:para : 4.42s CPU 4.46s WALL ( 26422 calls) Called by h_psi: h_psi:vloc : 127.74s CPU 129.28s WALL ( 14044 calls) h_psi:vnl : 17.39s CPU 17.86s WALL ( 14044 calls) add_vuspsi : 9.86s CPU 9.90s WALL ( 14044 calls) General routines calbec : 7.50s CPU 7.92s WALL ( 14044 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 119.60s CPU 121.47s WALL ( 1151508 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.12s CPU 0.15s WALL ( 728 calls) Parallel routines fft_scatter : 38.89s CPU 39.17s WALL ( 1151531 calls) PWSCF : 4m28.15s CPU 5m 5.10s WALL This run was terminated on: 17: 0:52 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=