Program PWSCF v.5.1.1 starts on 23Oct2015 at 21: 6:59 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Al2CdS4.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 153 38 11 6129 757 116 Max 154 39 12 6133 780 119 Sum 7369 1839 529 294287 36863 5649 bravais-lattice index = 14 lattice parameter (alat) = 12.2621 a.u. unit-cell volume = 1078.0042 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 3 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 40.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.262072 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.632367 celldm(5)= -0.632367 celldm(6)= 0.264734 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.264734 0.964321 0.000000 ) a(3) = ( -0.632367 -0.482161 0.606327 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.274529 0.824637 ) b(2) = ( 0.000000 1.036999 0.824637 ) b(3) = ( 0.000000 0.000000 1.649274 ) PseudoPot. # 1 for S read from file: /home/autes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 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 Cd read from file: /home/autes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 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 Al read from file: /home/autes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 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 S 6.00 32.06500 S( 1.00) Cd 12.00 112.41100 Cd( 1.00) Al 3.00 26.98150 Al( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 285 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 2) = ( 0.0000000 0.0000000 0.0206159), wk = 0.0035088 k( 3) = ( 0.0000000 0.0000000 0.0412319), wk = 0.0035088 k( 4) = ( 0.0000000 0.0000000 0.0618478), wk = 0.0035088 k( 5) = ( 0.0000000 0.0000000 0.0824637), wk = 0.0035088 k( 6) = ( 0.0000000 0.0000000 0.1030796), wk = 0.0035088 k( 7) = ( 0.0000000 0.0000000 0.1236956), wk = 0.0035088 k( 8) = ( 0.0000000 0.0000000 0.1443115), wk = 0.0035088 k( 9) = ( 0.0000000 0.0000000 0.1649274), wk = 0.0035088 k( 10) = ( 0.0000000 0.0000000 0.1855434), wk = 0.0035088 k( 11) = ( 0.0000000 0.0000000 0.2061593), wk = 0.0035088 k( 12) = ( 0.0000000 0.0000000 0.2267752), wk = 0.0035088 k( 13) = ( 0.0000000 0.0000000 0.2473911), wk = 0.0035088 k( 14) = ( 0.0000000 0.0000000 0.2680071), wk = 0.0035088 k( 15) = ( 0.0000000 0.0000000 0.2886230), wk = 0.0035088 k( 16) = ( 0.0000000 0.0000000 0.3092389), wk = 0.0035088 k( 17) = ( 0.0000000 0.0000000 0.3298549), wk = 0.0035088 k( 18) = ( 0.0000000 0.0000000 0.3504708), wk = 0.0035088 k( 19) = ( 0.0000000 0.0000000 0.3710867), wk = 0.0035088 k( 20) = ( 0.0000000 0.0000000 0.3917027), wk = 0.0035088 k( 21) = ( 0.0000000 0.0000000 0.4123186), wk = 0.0035088 k( 22) = ( 0.0000000 0.0000000 0.4329345), wk = 0.0035088 k( 23) = ( 0.0000000 0.0000000 0.4535504), wk = 0.0035088 k( 24) = ( 0.0000000 0.0000000 0.4741664), wk = 0.0035088 k( 25) = ( 0.0000000 0.0000000 0.4947823), wk = 0.0035088 k( 26) = ( 0.0000000 0.0000000 0.5153982), wk = 0.0035088 k( 27) = ( 0.0000000 0.0000000 0.5360142), wk = 0.0035088 k( 28) = ( 0.0000000 0.0000000 0.5566301), wk = 0.0035088 k( 29) = ( 0.0000000 0.0000000 0.5772460), wk = 0.0035088 k( 30) = ( 0.0000000 0.0000000 0.5978619), wk = 0.0035088 k( 31) = ( 0.0000000 0.0000000 0.6184779), wk = 0.0035088 k( 32) = ( 0.0000000 0.0000000 0.6390938), wk = 0.0035088 k( 33) = ( 0.0000000 0.0000000 0.6597097), wk = 0.0035088 k( 34) = ( 0.0000000 0.0000000 0.6803257), wk = 0.0035088 k( 35) = ( 0.0000000 0.0000000 0.7009416), wk = 0.0035088 k( 36) = ( 0.0000000 0.0000000 0.7215575), wk = 0.0035088 k( 37) = ( 0.0000000 0.0000000 0.7421734), wk = 0.0035088 k( 38) = ( 0.0000000 0.0000000 0.7627894), wk = 0.0035088 k( 39) = ( 0.0000000 0.0000000 0.7834053), wk = 0.0035088 k( 40) = ( 0.0000000 0.0000000 0.8040212), wk = 0.0035088 k( 41) = ( 0.0000000 0.0000000 0.8246372), wk = 0.0035088 k( 42) = ( 0.0000000 0.0000000 0.8246372), wk = 0.0035088 k( 43) = ( -0.0121117 0.0158848 0.8246372), wk = 0.0035088 k( 44) = ( -0.0242233 0.0317696 0.8246372), wk = 0.0035088 k( 45) = ( -0.0363350 0.0476543 0.8246372), wk = 0.0035088 k( 46) = ( -0.0484466 0.0635391 0.8246372), wk = 0.0035088 k( 47) = ( -0.0605583 0.0794239 0.8246372), wk = 0.0035088 k( 48) = ( -0.0726699 0.0953087 0.8246372), wk = 0.0035088 k( 49) = ( -0.0847816 0.1111935 0.8246372), wk = 0.0035088 k( 50) = ( -0.0968933 0.1270782 0.8246372), wk = 0.0035088 k( 51) = ( -0.1090049 0.1429630 0.8246372), wk = 0.0035088 k( 52) = ( -0.1211166 0.1588478 0.8246372), wk = 0.0035088 k( 53) = ( -0.1332282 0.1747326 0.8246372), wk = 0.0035088 k( 54) = ( -0.1453399 0.1906174 0.8246372), wk = 0.0035088 k( 55) = ( -0.1453399 0.1906174 0.8246372), wk = 0.0035088 k( 56) = ( -0.1537842 0.2016923 0.8107102), wk = 0.0035088 k( 57) = ( -0.1622285 0.2127672 0.7967833), wk = 0.0035088 k( 58) = ( -0.1706728 0.2238421 0.7828563), wk = 0.0035088 k( 59) = ( -0.1791170 0.2349170 0.7689294), wk = 0.0035088 k( 60) = ( -0.1875613 0.2459920 0.7550024), wk = 0.0035088 k( 61) = ( -0.1960056 0.2570669 0.7410755), wk = 0.0035088 k( 62) = ( -0.2044499 0.2681418 0.7271485), wk = 0.0035088 k( 63) = ( -0.2128942 0.2792167 0.7132216), wk = 0.0035088 k( 64) = ( -0.2213385 0.2902916 0.6992946), wk = 0.0035088 k( 65) = ( -0.2297828 0.3013666 0.6853677), wk = 0.0035088 k( 66) = ( -0.2382271 0.3124415 0.6714407), wk = 0.0035088 k( 67) = ( -0.2466714 0.3235164 0.6575138), wk = 0.0035088 k( 68) = ( -0.2551156 0.3345913 0.6435868), wk = 0.0035088 k( 69) = ( -0.2635599 0.3456662 0.6296599), wk = 0.0035088 k( 70) = ( -0.2720042 0.3567412 0.6157329), wk = 0.0035088 k( 71) = ( -0.2804485 0.3678161 0.6018060), wk = 0.0035088 k( 72) = ( -0.2888928 0.3788910 0.5878790), wk = 0.0035088 k( 73) = ( -0.2973371 0.3899659 0.5739521), wk = 0.0035088 k( 74) = ( -0.3057814 0.4010408 0.5600252), wk = 0.0035088 k( 75) = ( -0.3142257 0.4121158 0.5460982), wk = 0.0035088 k( 76) = ( -0.3226699 0.4231907 0.5321713), wk = 0.0035088 k( 77) = ( -0.3226699 0.4231907 0.5321713), wk = 0.0035088 k( 78) = ( -0.3139491 0.4117531 0.5177883), wk = 0.0035088 k( 79) = ( -0.3052283 0.4003155 0.5034052), wk = 0.0035088 k( 80) = ( -0.2965075 0.3888779 0.4890222), wk = 0.0035088 k( 81) = ( -0.2877867 0.3774403 0.4746392), wk = 0.0035088 k( 82) = ( -0.2790659 0.3660028 0.4602562), wk = 0.0035088 k( 83) = ( -0.2703451 0.3545652 0.4458732), wk = 0.0035088 k( 84) = ( -0.2616243 0.3431276 0.4314902), wk = 0.0035088 k( 85) = ( -0.2529035 0.3316900 0.4171072), wk = 0.0035088 k( 86) = ( -0.2441827 0.3202524 0.4027242), wk = 0.0035088 k( 87) = ( -0.2354619 0.3088148 0.3883412), wk = 0.0035088 k( 88) = ( -0.2267410 0.2973772 0.3739582), wk = 0.0035088 k( 89) = ( -0.2180202 0.2859397 0.3595752), wk = 0.0035088 k( 90) = ( -0.2092994 0.2745021 0.3451922), wk = 0.0035088 k( 91) = ( -0.2005786 0.2630645 0.3308092), wk = 0.0035088 k( 92) = ( -0.1918578 0.2516269 0.3164262), wk = 0.0035088 k( 93) = ( -0.1831370 0.2401893 0.3020432), wk = 0.0035088 k( 94) = ( -0.1744162 0.2287517 0.2876601), wk = 0.0035088 k( 95) = ( -0.1656954 0.2173141 0.2732771), wk = 0.0035088 k( 96) = ( -0.1569746 0.2058765 0.2588941), wk = 0.0035088 k( 97) = ( -0.1482538 0.1944390 0.2445111), wk = 0.0035088 k( 98) = ( -0.1395329 0.1830014 0.2301281), wk = 0.0035088 k( 99) = ( -0.1308121 0.1715638 0.2157451), wk = 0.0035088 k( 100) = ( -0.1220913 0.1601262 0.2013621), wk = 0.0035088 k( 101) = ( -0.1133705 0.1486886 0.1869791), wk = 0.0035088 k( 102) = ( -0.1046497 0.1372510 0.1725961), wk = 0.0035088 k( 103) = ( -0.0959289 0.1258134 0.1582131), wk = 0.0035088 k( 104) = ( -0.0872081 0.1143759 0.1438301), wk = 0.0035088 k( 105) = ( -0.0784873 0.1029383 0.1294471), wk = 0.0035088 k( 106) = ( -0.0697665 0.0915007 0.1150641), wk = 0.0035088 k( 107) = ( -0.0610457 0.0800631 0.1006811), wk = 0.0035088 k( 108) = ( -0.0523249 0.0686255 0.0862980), wk = 0.0035088 k( 109) = ( -0.0436040 0.0571879 0.0719150), wk = 0.0035088 k( 110) = ( -0.0348832 0.0457503 0.0575320), wk = 0.0035088 k( 111) = ( -0.0261624 0.0343128 0.0431490), wk = 0.0035088 k( 112) = ( -0.0174416 0.0228752 0.0287660), wk = 0.0035088 k( 113) = ( -0.0087208 0.0114376 0.0143830), wk = 0.0035088 k( 114) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 116) = ( 0.0161290 0.0122979 0.0000000), wk = 0.0035088 k( 117) = ( 0.0322581 0.0245958 0.0000000), wk = 0.0035088 k( 118) = ( 0.0483871 0.0368937 0.0000000), wk = 0.0035088 k( 119) = ( 0.0645161 0.0491916 0.0000000), wk = 0.0035088 k( 120) = ( 0.0806452 0.0614895 0.0000000), wk = 0.0035088 k( 121) = ( 0.0967742 0.0737874 0.0000000), wk = 0.0035088 k( 122) = ( 0.1129032 0.0860853 0.0000000), wk = 0.0035088 k( 123) = ( 0.1290323 0.0983832 0.0000000), wk = 0.0035088 k( 124) = ( 0.1451613 0.1106810 0.0000000), wk = 0.0035088 k( 125) = ( 0.1612903 0.1229789 0.0000000), wk = 0.0035088 k( 126) = ( 0.1774194 0.1352768 0.0000000), wk = 0.0035088 k( 127) = ( 0.1935484 0.1475747 0.0000000), wk = 0.0035088 k( 128) = ( 0.2096774 0.1598726 0.0000000), wk = 0.0035088 k( 129) = ( 0.2258064 0.1721705 0.0000000), wk = 0.0035088 k( 130) = ( 0.2419355 0.1844684 0.0000000), wk = 0.0035088 k( 131) = ( 0.2580645 0.1967663 0.0000000), wk = 0.0035088 k( 132) = ( 0.2741936 0.2090642 0.0000000), wk = 0.0035088 k( 133) = ( 0.2903226 0.2213621 0.0000000), wk = 0.0035088 k( 134) = ( 0.3064516 0.2336600 0.0000000), wk = 0.0035088 k( 135) = ( 0.3225807 0.2459579 0.0000000), wk = 0.0035088 k( 136) = ( 0.3387097 0.2582558 0.0000000), wk = 0.0035088 k( 137) = ( 0.3548387 0.2705537 0.0000000), wk = 0.0035088 k( 138) = ( 0.3709677 0.2828516 0.0000000), wk = 0.0035088 k( 139) = ( 0.3870968 0.2951494 0.0000000), wk = 0.0035088 k( 140) = ( 0.4032258 0.3074473 0.0000000), wk = 0.0035088 k( 141) = ( 0.4193548 0.3197452 0.0000000), wk = 0.0035088 k( 142) = ( 0.4354839 0.3320431 0.0000000), wk = 0.0035088 k( 143) = ( 0.4516129 0.3443410 0.0000000), wk = 0.0035088 k( 144) = ( 0.4677419 0.3566389 0.0000000), wk = 0.0035088 k( 145) = ( 0.4838710 0.3689368 0.0000000), wk = 0.0035088 k( 146) = ( 0.5000000 0.3812347 0.0000000), wk = 0.0035088 k( 147) = ( 0.5000000 0.3812347 0.0000000), wk = 0.0035088 k( 148) = ( 0.4915557 0.3923096 0.0139270), wk = 0.0035088 k( 149) = ( 0.4831114 0.4033845 0.0278539), wk = 0.0035088 k( 150) = ( 0.4746671 0.4144595 0.0417808), wk = 0.0035088 k( 151) = ( 0.4662229 0.4255344 0.0557078), wk = 0.0035088 k( 152) = ( 0.4577786 0.4366093 0.0696347), wk = 0.0035088 k( 153) = ( 0.4493343 0.4476842 0.0835617), wk = 0.0035088 k( 154) = ( 0.4408900 0.4587592 0.0974886), wk = 0.0035088 k( 155) = ( 0.4324457 0.4698341 0.1114156), wk = 0.0035088 k( 156) = ( 0.4240014 0.4809090 0.1253425), wk = 0.0035088 k( 157) = ( 0.4155571 0.4919839 0.1392695), wk = 0.0035088 k( 158) = ( 0.4071128 0.5030588 0.1531964), wk = 0.0035088 k( 159) = ( 0.3986685 0.5141338 0.1671234), wk = 0.0035088 k( 160) = ( 0.3902242 0.5252087 0.1810503), wk = 0.0035088 k( 161) = ( 0.3817800 0.5362836 0.1949773), wk = 0.0035088 k( 162) = ( 0.3733357 0.5473585 0.2089042), wk = 0.0035088 k( 163) = ( 0.3648914 0.5584334 0.2228312), wk = 0.0035088 k( 164) = ( 0.3564471 0.5695084 0.2367581), wk = 0.0035088 k( 165) = ( 0.3480028 0.5805833 0.2506851), wk = 0.0035088 k( 166) = ( 0.3395585 0.5916582 0.2646120), wk = 0.0035088 k( 167) = ( 0.3311142 0.6027331 0.2785389), wk = 0.0035088 k( 168) = ( 0.3226699 0.6138080 0.2924659), wk = 0.0035088 k( 169) = ( 0.3226699 0.6138080 0.2924659), wk = 0.0035088 k( 170) = ( 0.3047438 0.6085131 0.2991244), wk = 0.0035088 k( 171) = ( 0.2868177 0.6032182 0.3057829), wk = 0.0035088 k( 172) = ( 0.2688916 0.5979233 0.3124413), wk = 0.0035088 k( 173) = ( 0.2509655 0.5926283 0.3190998), wk = 0.0035088 k( 174) = ( 0.2330394 0.5873334 0.3257583), wk = 0.0035088 k( 175) = ( 0.2151133 0.5820385 0.3324168), wk = 0.0035088 k( 176) = ( 0.1971872 0.5767435 0.3390753), wk = 0.0035088 k( 177) = ( 0.1792611 0.5714486 0.3457338), wk = 0.0035088 k( 178) = ( 0.1613350 0.5661537 0.3523922), wk = 0.0035088 k( 179) = ( 0.1434089 0.5608588 0.3590507), wk = 0.0035088 k( 180) = ( 0.1254828 0.5555638 0.3657092), wk = 0.0035088 k( 181) = ( 0.1075567 0.5502689 0.3723677), wk = 0.0035088 k( 182) = ( 0.0896305 0.5449740 0.3790262), wk = 0.0035088 k( 183) = ( 0.0717044 0.5396791 0.3856847), wk = 0.0035088 k( 184) = ( 0.0537783 0.5343841 0.3923431), wk = 0.0035088 k( 185) = ( 0.0358522 0.5290892 0.3990016), wk = 0.0035088 k( 186) = ( 0.0179261 0.5237943 0.4056601), wk = 0.0035088 k( 187) = ( 0.0000000 0.5184994 0.4123186), wk = 0.0035088 k( 188) = ( 0.0000000 0.5184994 0.4123186), wk = 0.0035088 k( 189) = ( 0.0086207 0.5071931 0.4265365), wk = 0.0035088 k( 190) = ( 0.0172414 0.4958868 0.4407543), wk = 0.0035088 k( 191) = ( 0.0258621 0.4845805 0.4549722), wk = 0.0035088 k( 192) = ( 0.0344828 0.4732743 0.4691901), wk = 0.0035088 k( 193) = ( 0.0431035 0.4619680 0.4834080), wk = 0.0035088 k( 194) = ( 0.0517241 0.4506617 0.4976259), wk = 0.0035088 k( 195) = ( 0.0603448 0.4393554 0.5118438), wk = 0.0035088 k( 196) = ( 0.0689655 0.4280491 0.5260616), wk = 0.0035088 k( 197) = ( 0.0775862 0.4167429 0.5402795), wk = 0.0035088 k( 198) = ( 0.0862069 0.4054366 0.5544974), wk = 0.0035088 k( 199) = ( 0.0948276 0.3941303 0.5687153), wk = 0.0035088 k( 200) = ( 0.1034483 0.3828240 0.5829332), wk = 0.0035088 k( 201) = ( 0.1120690 0.3715178 0.5971511), wk = 0.0035088 k( 202) = ( 0.1206897 0.3602115 0.6113689), wk = 0.0035088 k( 203) = ( 0.1293103 0.3489052 0.6255868), wk = 0.0035088 k( 204) = ( 0.1379310 0.3375989 0.6398047), wk = 0.0035088 k( 205) = ( 0.1465517 0.3262927 0.6540226), wk = 0.0035088 k( 206) = ( 0.1551724 0.3149864 0.6682405), wk = 0.0035088 k( 207) = ( 0.1637931 0.3036801 0.6824583), wk = 0.0035088 k( 208) = ( 0.1724138 0.2923738 0.6966762), wk = 0.0035088 k( 209) = ( 0.1810345 0.2810676 0.7108941), wk = 0.0035088 k( 210) = ( 0.1896552 0.2697613 0.7251120), wk = 0.0035088 k( 211) = ( 0.1982759 0.2584550 0.7393299), wk = 0.0035088 k( 212) = ( 0.2068966 0.2471487 0.7535477), wk = 0.0035088 k( 213) = ( 0.2155172 0.2358425 0.7677656), wk = 0.0035088 k( 214) = ( 0.2241379 0.2245362 0.7819835), wk = 0.0035088 k( 215) = ( 0.2327586 0.2132299 0.7962014), wk = 0.0035088 k( 216) = ( 0.2413793 0.2019236 0.8104193), wk = 0.0035088 k( 217) = ( 0.2500000 0.1906174 0.8246372), wk = 0.0035088 k( 218) = ( 0.2500000 0.1906174 0.8246372), wk = 0.0035088 k( 219) = ( 0.2625000 0.2001482 0.8126519), wk = 0.0035088 k( 220) = ( 0.2750000 0.2096791 0.8006666), wk = 0.0035088 k( 221) = ( 0.2875000 0.2192100 0.7886814), wk = 0.0035088 k( 222) = ( 0.3000000 0.2287408 0.7766961), wk = 0.0035088 k( 223) = ( 0.3125000 0.2382717 0.7647108), wk = 0.0035088 k( 224) = ( 0.3250000 0.2478026 0.7527256), wk = 0.0035088 k( 225) = ( 0.3375000 0.2573334 0.7407403), wk = 0.0035088 k( 226) = ( 0.3500000 0.2668643 0.7287550), wk = 0.0035088 k( 227) = ( 0.3625000 0.2763952 0.7167698), wk = 0.0035088 k( 228) = ( 0.3750000 0.2859260 0.7047845), wk = 0.0035088 k( 229) = ( 0.3875000 0.2954569 0.6927992), wk = 0.0035088 k( 230) = ( 0.4000000 0.3049878 0.6808139), wk = 0.0035088 k( 231) = ( 0.4125000 0.3145186 0.6688287), wk = 0.0035088 k( 232) = ( 0.4250000 0.3240495 0.6568434), wk = 0.0035088 k( 233) = ( 0.4375000 0.3335804 0.6448581), wk = 0.0035088 k( 234) = ( 0.4500000 0.3431112 0.6328729), wk = 0.0035088 k( 235) = ( 0.4625000 0.3526421 0.6208876), wk = 0.0035088 k( 236) = ( 0.4750000 0.3621730 0.6089023), wk = 0.0035088 k( 237) = ( 0.4875000 0.3717038 0.5969171), wk = 0.0035088 k( 238) = ( 0.5000000 0.3812347 0.5849318), wk = 0.0035088 k( 239) = ( 0.5000000 0.3812347 0.5849318), wk = 0.0035088 k( 240) = ( 0.5000000 0.3812347 0.5647617), wk = 0.0035088 k( 241) = ( 0.5000000 0.3812347 0.5445917), wk = 0.0035088 k( 242) = ( 0.5000000 0.3812347 0.5244216), wk = 0.0035088 k( 243) = ( 0.5000000 0.3812347 0.5042516), wk = 0.0035088 k( 244) = ( 0.5000000 0.3812347 0.4840815), wk = 0.0035088 k( 245) = ( 0.5000000 0.3812347 0.4639114), wk = 0.0035088 k( 246) = ( 0.5000000 0.3812347 0.4437414), wk = 0.0035088 k( 247) = ( 0.5000000 0.3812347 0.4235713), wk = 0.0035088 k( 248) = ( 0.5000000 0.3812347 0.4034012), wk = 0.0035088 k( 249) = ( 0.5000000 0.3812347 0.3832312), wk = 0.0035088 k( 250) = ( 0.5000000 0.3812347 0.3630611), wk = 0.0035088 k( 251) = ( 0.5000000 0.3812347 0.3428911), wk = 0.0035088 k( 252) = ( 0.5000000 0.3812347 0.3227210), wk = 0.0035088 k( 253) = ( 0.5000000 0.3812347 0.3025509), wk = 0.0035088 k( 254) = ( 0.5000000 0.3812347 0.2823809), wk = 0.0035088 k( 255) = ( 0.5000000 0.3812347 0.2622108), wk = 0.0035088 k( 256) = ( 0.5000000 0.3812347 0.2420407), wk = 0.0035088 k( 257) = ( 0.5000000 0.3812347 0.2218707), wk = 0.0035088 k( 258) = ( 0.5000000 0.3812347 0.2017006), wk = 0.0035088 k( 259) = ( 0.5000000 0.3812347 0.1815306), wk = 0.0035088 k( 260) = ( 0.5000000 0.3812347 0.1613605), wk = 0.0035088 k( 261) = ( 0.5000000 0.3812347 0.1411904), wk = 0.0035088 k( 262) = ( 0.5000000 0.3812347 0.1210204), wk = 0.0035088 k( 263) = ( 0.5000000 0.3812347 0.1008503), wk = 0.0035088 k( 264) = ( 0.5000000 0.3812347 0.0806802), wk = 0.0035088 k( 265) = ( 0.5000000 0.3812347 0.0605102), wk = 0.0035088 k( 266) = ( 0.5000000 0.3812347 0.0403401), wk = 0.0035088 k( 267) = ( 0.5000000 0.3812347 0.0201701), wk = 0.0035088 k( 268) = ( 0.5000000 0.3812347 0.0000000), wk = 0.0035088 k( 269) = ( 0.0000000 0.0000000 0.8246372), wk = 0.0035088 k( 270) = ( 0.0156250 0.0119136 0.8246372), wk = 0.0035088 k( 271) = ( 0.0312500 0.0238272 0.8246372), wk = 0.0035088 k( 272) = ( 0.0468750 0.0357408 0.8246372), wk = 0.0035088 k( 273) = ( 0.0625000 0.0476543 0.8246372), wk = 0.0035088 k( 274) = ( 0.0781250 0.0595679 0.8246372), wk = 0.0035088 k( 275) = ( 0.0937500 0.0714815 0.8246372), wk = 0.0035088 k( 276) = ( 0.1093750 0.0833951 0.8246372), wk = 0.0035088 k( 277) = ( 0.1250000 0.0953087 0.8246372), wk = 0.0035088 k( 278) = ( 0.1406250 0.1072223 0.8246372), wk = 0.0035088 k( 279) = ( 0.1562500 0.1191358 0.8246372), wk = 0.0035088 k( 280) = ( 0.1718750 0.1310494 0.8246372), wk = 0.0035088 k( 281) = ( 0.1875000 0.1429630 0.8246372), wk = 0.0035088 k( 282) = ( 0.2031250 0.1548766 0.8246372), wk = 0.0035088 k( 283) = ( 0.2187500 0.1667902 0.8246372), wk = 0.0035088 k( 284) = ( 0.2343750 0.1787038 0.8246372), wk = 0.0035088 k( 285) = ( 0.2500000 0.1906174 0.8246372), wk = 0.0035088 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 2) = ( 0.0000000 0.0000000 0.0125000), wk = 0.0035088 k( 3) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0035088 k( 4) = ( 0.0000000 0.0000000 0.0375000), wk = 0.0035088 k( 5) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0035088 k( 6) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0035088 k( 7) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0035088 k( 8) = ( 0.0000000 0.0000000 0.0875000), wk = 0.0035088 k( 9) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0035088 k( 10) = ( 0.0000000 0.0000000 0.1125000), wk = 0.0035088 k( 11) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0035088 k( 12) = ( 0.0000000 0.0000000 0.1375000), wk = 0.0035088 k( 13) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0035088 k( 14) = ( 0.0000000 0.0000000 0.1625000), wk = 0.0035088 k( 15) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0035088 k( 16) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0035088 k( 17) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0035088 k( 18) = ( 0.0000000 0.0000000 0.2125000), wk = 0.0035088 k( 19) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0035088 k( 20) = ( 0.0000000 0.0000000 0.2375000), wk = 0.0035088 k( 21) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0035088 k( 22) = ( 0.0000000 0.0000000 0.2625000), wk = 0.0035088 k( 23) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0035088 k( 24) = ( 0.0000000 0.0000000 0.2875000), wk = 0.0035088 k( 25) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0035088 k( 26) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0035088 k( 27) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0035088 k( 28) = ( 0.0000000 0.0000000 0.3375000), wk = 0.0035088 k( 29) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0035088 k( 30) = ( 0.0000000 0.0000000 0.3625000), wk = 0.0035088 k( 31) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0035088 k( 32) = ( 0.0000000 0.0000000 0.3875000), wk = 0.0035088 k( 33) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0035088 k( 34) = ( 0.0000000 0.0000000 0.4125000), wk = 0.0035088 k( 35) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0035088 k( 36) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0035088 k( 37) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0035088 k( 38) = ( 0.0000000 0.0000000 0.4625000), wk = 0.0035088 k( 39) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0035088 k( 40) = ( 0.0000000 0.0000000 0.4875000), wk = 0.0035088 k( 41) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035088 k( 42) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035088 k( 43) = ( -0.0121117 0.0121117 0.5000000), wk = 0.0035088 k( 44) = ( -0.0242233 0.0242233 0.5000000), wk = 0.0035088 k( 45) = ( -0.0363350 0.0363350 0.5000000), wk = 0.0035088 k( 46) = ( -0.0484466 0.0484466 0.5000000), wk = 0.0035088 k( 47) = ( -0.0605583 0.0605583 0.5000000), wk = 0.0035088 k( 48) = ( -0.0726699 0.0726700 0.5000000), wk = 0.0035088 k( 49) = ( -0.0847816 0.0847816 0.5000000), wk = 0.0035088 k( 50) = ( -0.0968933 0.0968933 0.5000000), wk = 0.0035088 k( 51) = ( -0.1090049 0.1090049 0.5000000), wk = 0.0035088 k( 52) = ( -0.1211166 0.1211166 0.5000000), wk = 0.0035088 k( 53) = ( -0.1332282 0.1332282 0.5000000), wk = 0.0035088 k( 54) = ( -0.1453399 0.1453399 0.5000000), wk = 0.0035088 k( 55) = ( -0.1453399 0.1453399 0.5000000), wk = 0.0035088 k( 56) = ( -0.1537842 0.1537842 0.4915557), wk = 0.0035088 k( 57) = ( -0.1622285 0.1622285 0.4831114), wk = 0.0035088 k( 58) = ( -0.1706728 0.1706728 0.4746671), wk = 0.0035088 k( 59) = ( -0.1791170 0.1791170 0.4662229), wk = 0.0035088 k( 60) = ( -0.1875613 0.1875613 0.4577786), wk = 0.0035088 k( 61) = ( -0.1960056 0.1960056 0.4493343), wk = 0.0035088 k( 62) = ( -0.2044499 0.2044499 0.4408900), wk = 0.0035088 k( 63) = ( -0.2128942 0.2128942 0.4324457), wk = 0.0035088 k( 64) = ( -0.2213385 0.2213385 0.4240014), wk = 0.0035088 k( 65) = ( -0.2297828 0.2297828 0.4155571), wk = 0.0035088 k( 66) = ( -0.2382271 0.2382271 0.4071128), wk = 0.0035088 k( 67) = ( -0.2466714 0.2466714 0.3986685), wk = 0.0035088 k( 68) = ( -0.2551156 0.2551156 0.3902243), wk = 0.0035088 k( 69) = ( -0.2635599 0.2635599 0.3817800), wk = 0.0035088 k( 70) = ( -0.2720042 0.2720042 0.3733357), wk = 0.0035088 k( 71) = ( -0.2804485 0.2804485 0.3648914), wk = 0.0035088 k( 72) = ( -0.2888928 0.2888928 0.3564471), wk = 0.0035088 k( 73) = ( -0.2973371 0.2973371 0.3480028), wk = 0.0035088 k( 74) = ( -0.3057814 0.3057814 0.3395585), wk = 0.0035088 k( 75) = ( -0.3142257 0.3142257 0.3311142), wk = 0.0035088 k( 76) = ( -0.3226699 0.3226699 0.3226700), wk = 0.0035088 k( 77) = ( -0.3226699 0.3226699 0.3226700), wk = 0.0035088 k( 78) = ( -0.3139491 0.3139491 0.3139491), wk = 0.0035088 k( 79) = ( -0.3052283 0.3052283 0.3052283), wk = 0.0035088 k( 80) = ( -0.2965075 0.2965075 0.2965075), wk = 0.0035088 k( 81) = ( -0.2877867 0.2877867 0.2877867), wk = 0.0035088 k( 82) = ( -0.2790659 0.2790659 0.2790659), wk = 0.0035088 k( 83) = ( -0.2703451 0.2703451 0.2703451), wk = 0.0035088 k( 84) = ( -0.2616243 0.2616243 0.2616243), wk = 0.0035088 k( 85) = ( -0.2529035 0.2529035 0.2529035), wk = 0.0035088 k( 86) = ( -0.2441827 0.2441827 0.2441827), wk = 0.0035088 k( 87) = ( -0.2354619 0.2354619 0.2354619), wk = 0.0035088 k( 88) = ( -0.2267410 0.2267410 0.2267410), wk = 0.0035088 k( 89) = ( -0.2180202 0.2180202 0.2180202), wk = 0.0035088 k( 90) = ( -0.2092994 0.2092994 0.2092994), wk = 0.0035088 k( 91) = ( -0.2005786 0.2005786 0.2005786), wk = 0.0035088 k( 92) = ( -0.1918578 0.1918578 0.1918578), wk = 0.0035088 k( 93) = ( -0.1831370 0.1831370 0.1831370), wk = 0.0035088 k( 94) = ( -0.1744162 0.1744162 0.1744162), wk = 0.0035088 k( 95) = ( -0.1656954 0.1656954 0.1656954), wk = 0.0035088 k( 96) = ( -0.1569746 0.1569746 0.1569746), wk = 0.0035088 k( 97) = ( -0.1482538 0.1482538 0.1482538), wk = 0.0035088 k( 98) = ( -0.1395329 0.1395329 0.1395329), wk = 0.0035088 k( 99) = ( -0.1308121 0.1308121 0.1308121), wk = 0.0035088 k( 100) = ( -0.1220913 0.1220913 0.1220913), wk = 0.0035088 k( 101) = ( -0.1133705 0.1133705 0.1133705), wk = 0.0035088 k( 102) = ( -0.1046497 0.1046497 0.1046497), wk = 0.0035088 k( 103) = ( -0.0959289 0.0959289 0.0959289), wk = 0.0035088 k( 104) = ( -0.0872081 0.0872081 0.0872081), wk = 0.0035088 k( 105) = ( -0.0784873 0.0784873 0.0784873), wk = 0.0035088 k( 106) = ( -0.0697665 0.0697665 0.0697665), wk = 0.0035088 k( 107) = ( -0.0610457 0.0610457 0.0610457), wk = 0.0035088 k( 108) = ( -0.0523249 0.0523249 0.0523249), wk = 0.0035088 k( 109) = ( -0.0436040 0.0436040 0.0436040), wk = 0.0035088 k( 110) = ( -0.0348832 0.0348832 0.0348832), wk = 0.0035088 k( 111) = ( -0.0261624 0.0261624 0.0261624), wk = 0.0035088 k( 112) = ( -0.0174416 0.0174416 0.0174416), wk = 0.0035088 k( 113) = ( -0.0087208 0.0087208 0.0087208), wk = 0.0035088 k( 114) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 116) = ( 0.0161290 0.0161290 -0.0161290), wk = 0.0035088 k( 117) = ( 0.0322581 0.0322581 -0.0322581), wk = 0.0035088 k( 118) = ( 0.0483871 0.0483871 -0.0483871), wk = 0.0035088 k( 119) = ( 0.0645161 0.0645161 -0.0645161), wk = 0.0035088 k( 120) = ( 0.0806452 0.0806452 -0.0806452), wk = 0.0035088 k( 121) = ( 0.0967742 0.0967742 -0.0967742), wk = 0.0035088 k( 122) = ( 0.1129032 0.1129032 -0.1129032), wk = 0.0035088 k( 123) = ( 0.1290323 0.1290323 -0.1290323), wk = 0.0035088 k( 124) = ( 0.1451613 0.1451613 -0.1451613), wk = 0.0035088 k( 125) = ( 0.1612903 0.1612903 -0.1612903), wk = 0.0035088 k( 126) = ( 0.1774194 0.1774194 -0.1774193), wk = 0.0035088 k( 127) = ( 0.1935484 0.1935484 -0.1935484), wk = 0.0035088 k( 128) = ( 0.2096774 0.2096774 -0.2096774), wk = 0.0035088 k( 129) = ( 0.2258064 0.2258064 -0.2258064), wk = 0.0035088 k( 130) = ( 0.2419355 0.2419355 -0.2419355), wk = 0.0035088 k( 131) = ( 0.2580645 0.2580645 -0.2580645), wk = 0.0035088 k( 132) = ( 0.2741936 0.2741936 -0.2741935), wk = 0.0035088 k( 133) = ( 0.2903226 0.2903226 -0.2903226), wk = 0.0035088 k( 134) = ( 0.3064516 0.3064516 -0.3064516), wk = 0.0035088 k( 135) = ( 0.3225807 0.3225807 -0.3225807), wk = 0.0035088 k( 136) = ( 0.3387097 0.3387097 -0.3387097), wk = 0.0035088 k( 137) = ( 0.3548387 0.3548387 -0.3548387), wk = 0.0035088 k( 138) = ( 0.3709677 0.3709677 -0.3709677), wk = 0.0035088 k( 139) = ( 0.3870968 0.3870968 -0.3870968), wk = 0.0035088 k( 140) = ( 0.4032258 0.4032258 -0.4032258), wk = 0.0035088 k( 141) = ( 0.4193548 0.4193548 -0.4193548), wk = 0.0035088 k( 142) = ( 0.4354839 0.4354839 -0.4354839), wk = 0.0035088 k( 143) = ( 0.4516129 0.4516129 -0.4516129), wk = 0.0035088 k( 144) = ( 0.4677419 0.4677419 -0.4677419), wk = 0.0035088 k( 145) = ( 0.4838710 0.4838710 -0.4838710), wk = 0.0035088 k( 146) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0035088 k( 147) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0035088 k( 148) = ( 0.4915557 0.5084443 -0.4915557), wk = 0.0035088 k( 149) = ( 0.4831114 0.5168886 -0.4831114), wk = 0.0035088 k( 150) = ( 0.4746671 0.5253329 -0.4746671), wk = 0.0035088 k( 151) = ( 0.4662229 0.5337771 -0.4662229), wk = 0.0035088 k( 152) = ( 0.4577786 0.5422214 -0.4577786), wk = 0.0035088 k( 153) = ( 0.4493343 0.5506657 -0.4493343), wk = 0.0035088 k( 154) = ( 0.4408900 0.5591100 -0.4408900), wk = 0.0035088 k( 155) = ( 0.4324457 0.5675543 -0.4324457), wk = 0.0035088 k( 156) = ( 0.4240014 0.5759986 -0.4240014), wk = 0.0035088 k( 157) = ( 0.4155571 0.5844429 -0.4155571), wk = 0.0035088 k( 158) = ( 0.4071128 0.5928872 -0.4071128), wk = 0.0035088 k( 159) = ( 0.3986685 0.6013315 -0.3986685), wk = 0.0035088 k( 160) = ( 0.3902242 0.6097757 -0.3902242), wk = 0.0035088 k( 161) = ( 0.3817800 0.6182200 -0.3817800), wk = 0.0035088 k( 162) = ( 0.3733357 0.6266643 -0.3733357), wk = 0.0035088 k( 163) = ( 0.3648914 0.6351086 -0.3648914), wk = 0.0035088 k( 164) = ( 0.3564471 0.6435529 -0.3564471), wk = 0.0035088 k( 165) = ( 0.3480028 0.6519972 -0.3480028), wk = 0.0035088 k( 166) = ( 0.3395585 0.6604415 -0.3395585), wk = 0.0035088 k( 167) = ( 0.3311142 0.6688858 -0.3311142), wk = 0.0035088 k( 168) = ( 0.3226699 0.6773301 -0.3226699), wk = 0.0035088 k( 169) = ( 0.3226699 0.6773301 -0.3226699), wk = 0.0035088 k( 170) = ( 0.3047438 0.6674784 -0.3047438), wk = 0.0035088 k( 171) = ( 0.2868177 0.6576267 -0.2868177), wk = 0.0035088 k( 172) = ( 0.2688916 0.6477750 -0.2688916), wk = 0.0035088 k( 173) = ( 0.2509655 0.6379234 -0.2509655), wk = 0.0035088 k( 174) = ( 0.2330394 0.6280717 -0.2330394), wk = 0.0035088 k( 175) = ( 0.2151133 0.6182200 -0.2151133), wk = 0.0035088 k( 176) = ( 0.1971872 0.6083684 -0.1971872), wk = 0.0035088 k( 177) = ( 0.1792611 0.5985167 -0.1792611), wk = 0.0035088 k( 178) = ( 0.1613350 0.5886650 -0.1613350), wk = 0.0035088 k( 179) = ( 0.1434089 0.5788134 -0.1434089), wk = 0.0035088 k( 180) = ( 0.1254828 0.5689617 -0.1254828), wk = 0.0035088 k( 181) = ( 0.1075567 0.5591100 -0.1075567), wk = 0.0035088 k( 182) = ( 0.0896305 0.5492583 -0.0896305), wk = 0.0035088 k( 183) = ( 0.0717044 0.5394067 -0.0717044), wk = 0.0035088 k( 184) = ( 0.0537783 0.5295550 -0.0537783), wk = 0.0035088 k( 185) = ( 0.0358522 0.5197033 -0.0358522), wk = 0.0035088 k( 186) = ( 0.0179261 0.5098517 -0.0179261), wk = 0.0035088 k( 187) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0035088 k( 188) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0035088 k( 189) = ( 0.0086207 0.4913793 0.0086207), wk = 0.0035088 k( 190) = ( 0.0172414 0.4827586 0.0172414), wk = 0.0035088 k( 191) = ( 0.0258621 0.4741379 0.0258621), wk = 0.0035088 k( 192) = ( 0.0344828 0.4655172 0.0344828), wk = 0.0035088 k( 193) = ( 0.0431035 0.4568966 0.0431034), wk = 0.0035088 k( 194) = ( 0.0517241 0.4482759 0.0517241), wk = 0.0035088 k( 195) = ( 0.0603448 0.4396552 0.0603448), wk = 0.0035088 k( 196) = ( 0.0689655 0.4310345 0.0689655), wk = 0.0035088 k( 197) = ( 0.0775862 0.4224138 0.0775862), wk = 0.0035088 k( 198) = ( 0.0862069 0.4137931 0.0862069), wk = 0.0035088 k( 199) = ( 0.0948276 0.4051724 0.0948276), wk = 0.0035088 k( 200) = ( 0.1034483 0.3965517 0.1034483), wk = 0.0035088 k( 201) = ( 0.1120690 0.3879310 0.1120690), wk = 0.0035088 k( 202) = ( 0.1206897 0.3793103 0.1206897), wk = 0.0035088 k( 203) = ( 0.1293103 0.3706897 0.1293103), wk = 0.0035088 k( 204) = ( 0.1379310 0.3620690 0.1379310), wk = 0.0035088 k( 205) = ( 0.1465517 0.3534483 0.1465517), wk = 0.0035088 k( 206) = ( 0.1551724 0.3448276 0.1551724), wk = 0.0035088 k( 207) = ( 0.1637931 0.3362069 0.1637931), wk = 0.0035088 k( 208) = ( 0.1724138 0.3275862 0.1724138), wk = 0.0035088 k( 209) = ( 0.1810345 0.3189655 0.1810345), wk = 0.0035088 k( 210) = ( 0.1896552 0.3103448 0.1896552), wk = 0.0035088 k( 211) = ( 0.1982759 0.3017241 0.1982759), wk = 0.0035088 k( 212) = ( 0.2068966 0.2931034 0.2068966), wk = 0.0035088 k( 213) = ( 0.2155172 0.2844828 0.2155172), wk = 0.0035088 k( 214) = ( 0.2241379 0.2758621 0.2241379), wk = 0.0035088 k( 215) = ( 0.2327586 0.2672414 0.2327586), wk = 0.0035088 k( 216) = ( 0.2413793 0.2586207 0.2413793), wk = 0.0035088 k( 217) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0035088 k( 218) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0035088 k( 219) = ( 0.2625000 0.2625000 0.2302330), wk = 0.0035088 k( 220) = ( 0.2750000 0.2750000 0.2104660), wk = 0.0035088 k( 221) = ( 0.2875000 0.2875000 0.1906990), wk = 0.0035088 k( 222) = ( 0.3000000 0.3000000 0.1709320), wk = 0.0035088 k( 223) = ( 0.3125000 0.3125000 0.1511650), wk = 0.0035088 k( 224) = ( 0.3250000 0.3250000 0.1313980), wk = 0.0035088 k( 225) = ( 0.3375000 0.3375000 0.1116310), wk = 0.0035088 k( 226) = ( 0.3500000 0.3500000 0.0918640), wk = 0.0035088 k( 227) = ( 0.3625000 0.3625000 0.0720970), wk = 0.0035088 k( 228) = ( 0.3750000 0.3750000 0.0523301), wk = 0.0035088 k( 229) = ( 0.3875000 0.3875000 0.0325631), wk = 0.0035088 k( 230) = ( 0.4000000 0.4000000 0.0127961), wk = 0.0035088 k( 231) = ( 0.4125000 0.4125000 -0.0069709), wk = 0.0035088 k( 232) = ( 0.4250000 0.4250000 -0.0267379), wk = 0.0035088 k( 233) = ( 0.4375000 0.4375000 -0.0465049), wk = 0.0035088 k( 234) = ( 0.4500000 0.4500000 -0.0662719), wk = 0.0035088 k( 235) = ( 0.4625000 0.4625000 -0.0860389), wk = 0.0035088 k( 236) = ( 0.4750000 0.4750000 -0.1058059), wk = 0.0035088 k( 237) = ( 0.4875000 0.4875000 -0.1255729), wk = 0.0035088 k( 238) = ( 0.5000000 0.5000000 -0.1453399), wk = 0.0035088 k( 239) = ( 0.5000000 0.5000000 -0.1453399), wk = 0.0035088 k( 240) = ( 0.5000000 0.5000000 -0.1575696), wk = 0.0035088 k( 241) = ( 0.5000000 0.5000000 -0.1697992), wk = 0.0035088 k( 242) = ( 0.5000000 0.5000000 -0.1820289), wk = 0.0035088 k( 243) = ( 0.5000000 0.5000000 -0.1942585), wk = 0.0035088 k( 244) = ( 0.5000000 0.5000000 -0.2064882), wk = 0.0035088 k( 245) = ( 0.5000000 0.5000000 -0.2187178), wk = 0.0035088 k( 246) = ( 0.5000000 0.5000000 -0.2309475), wk = 0.0035088 k( 247) = ( 0.5000000 0.5000000 -0.2431772), wk = 0.0035088 k( 248) = ( 0.5000000 0.5000000 -0.2554068), wk = 0.0035088 k( 249) = ( 0.5000000 0.5000000 -0.2676365), wk = 0.0035088 k( 250) = ( 0.5000000 0.5000000 -0.2798661), wk = 0.0035088 k( 251) = ( 0.5000000 0.5000000 -0.2920958), wk = 0.0035088 k( 252) = ( 0.5000000 0.5000000 -0.3043255), wk = 0.0035088 k( 253) = ( 0.5000000 0.5000000 -0.3165551), wk = 0.0035088 k( 254) = ( 0.5000000 0.5000000 -0.3287848), wk = 0.0035088 k( 255) = ( 0.5000000 0.5000000 -0.3410144), wk = 0.0035088 k( 256) = ( 0.5000000 0.5000000 -0.3532441), wk = 0.0035088 k( 257) = ( 0.5000000 0.5000000 -0.3654737), wk = 0.0035088 k( 258) = ( 0.5000000 0.5000000 -0.3777034), wk = 0.0035088 k( 259) = ( 0.5000000 0.5000000 -0.3899331), wk = 0.0035088 k( 260) = ( 0.5000000 0.5000000 -0.4021627), wk = 0.0035088 k( 261) = ( 0.5000000 0.5000000 -0.4143924), wk = 0.0035088 k( 262) = ( 0.5000000 0.5000000 -0.4266220), wk = 0.0035088 k( 263) = ( 0.5000000 0.5000000 -0.4388517), wk = 0.0035088 k( 264) = ( 0.5000000 0.5000000 -0.4510814), wk = 0.0035088 k( 265) = ( 0.5000000 0.5000000 -0.4633110), wk = 0.0035088 k( 266) = ( 0.5000000 0.5000000 -0.4755407), wk = 0.0035088 k( 267) = ( 0.5000000 0.5000000 -0.4877703), wk = 0.0035088 k( 268) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0035088 k( 269) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035088 k( 270) = ( 0.0156250 0.0156250 0.4843750), wk = 0.0035088 k( 271) = ( 0.0312500 0.0312500 0.4687500), wk = 0.0035088 k( 272) = ( 0.0468750 0.0468750 0.4531250), wk = 0.0035088 k( 273) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0035088 k( 274) = ( 0.0781250 0.0781250 0.4218750), wk = 0.0035088 k( 275) = ( 0.0937500 0.0937500 0.4062500), wk = 0.0035088 k( 276) = ( 0.1093750 0.1093750 0.3906250), wk = 0.0035088 k( 277) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0035088 k( 278) = ( 0.1406250 0.1406250 0.3593750), wk = 0.0035088 k( 279) = ( 0.1562500 0.1562500 0.3437500), wk = 0.0035088 k( 280) = ( 0.1718750 0.1718750 0.3281250), wk = 0.0035088 k( 281) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0035088 k( 282) = ( 0.2031250 0.2031250 0.2968750), wk = 0.0035088 k( 283) = ( 0.2187500 0.2187500 0.2812500), wk = 0.0035088 k( 284) = ( 0.2343750 0.2343750 0.2656250), wk = 0.0035088 k( 285) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0035088 Dense grid: 294287 G-vectors FFT dimensions: ( 100, 100, 100) Smooth grid: 36863 G-vectors FFT dimensions: ( 50, 50, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.15 Mb ( 192, 50) NL pseudopotentials 0.35 Mb ( 96, 238) Each V/rho on FFT grid 0.46 Mb ( 30000) Each G-vector array 0.05 Mb ( 6130) G-vector shells 0.02 Mb ( 2800) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.59 Mb ( 192, 200) Each subspace H/S matrix 0.61 Mb ( 200, 200) Each matrix 0.36 Mb ( 238, 2, 50) The potential is recalculated from file : ./Al2CdS4.save/charge-density.dat Starting wfc are 66 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 48.0 secs Computing kpt #: 2 total cpu time spent up to now is 53.5 secs Computing kpt #: 3 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 59.3 secs Computing kpt #: 4 total cpu time spent up to now is 63.3 secs Computing kpt #: 5 total cpu time spent up to now is 67.3 secs Computing kpt #: 6 total cpu time spent up to now is 71.3 secs Computing kpt #: 7 total cpu time spent up to now is 75.5 secs Computing kpt #: 8 total cpu time spent up to now is 79.7 secs Computing kpt #: 9 total cpu time spent up to now is 84.0 secs Computing kpt #: 10 total cpu time spent up to now is 88.0 secs Computing kpt #: 11 total cpu time spent up to now is 91.8 secs Computing kpt #: 12 total cpu time spent up to now is 95.5 secs Computing kpt #: 13 total cpu time spent up to now is 99.3 secs Computing kpt #: 14 total cpu time spent up to now is 102.9 secs Computing kpt #: 15 total cpu time spent up to now is 106.4 secs Computing kpt #: 16 total cpu time spent up to now is 110.0 secs Computing kpt #: 17 total cpu time spent up to now is 113.5 secs Computing kpt #: 18 total cpu time spent up to now is 117.0 secs Computing kpt #: 19 total cpu time spent up to now is 120.5 secs Computing kpt #: 20 total cpu time spent up to now is 124.1 secs Computing kpt #: 21 total cpu time spent up to now is 128.3 secs Computing kpt #: 22 total cpu time spent up to now is 131.8 secs Computing kpt #: 23 total cpu time spent up to now is 135.3 secs Computing kpt #: 24 total cpu time spent up to now is 138.5 secs Computing kpt #: 25 total cpu time spent up to now is 142.0 secs Computing kpt #: 26 total cpu time spent up to now is 145.6 secs Computing kpt #: 27 total cpu time spent up to now is 149.2 secs Computing kpt #: 28 total cpu time spent up to now is 152.9 secs Computing kpt #: 29 total cpu time spent up to now is 156.4 secs Computing kpt #: 30 total cpu time spent up to now is 159.6 secs Computing kpt #: 31 total cpu time spent up to now is 163.0 secs Computing kpt #: 32 total cpu time spent up to now is 166.4 secs Computing kpt #: 33 total cpu time spent up to now is 169.8 secs Computing kpt #: 34 total cpu time spent up to now is 173.4 secs Computing kpt #: 35 total cpu time spent up to now is 176.9 secs Computing kpt #: 36 total cpu time spent up to now is 180.3 secs Computing kpt #: 37 total cpu time spent up to now is 183.8 secs Computing kpt #: 38 total cpu time spent up to now is 187.3 secs Computing kpt #: 39 total cpu time spent up to now is 190.8 secs Computing kpt #: 40 total cpu time spent up to now is 194.2 secs Computing kpt #: 41 total cpu time spent up to now is 198.2 secs Computing kpt #: 42 total cpu time spent up to now is 201.5 secs Computing kpt #: 43 total cpu time spent up to now is 204.8 secs Computing kpt #: 44 total cpu time spent up to now is 208.2 secs Computing kpt #: 45 total cpu time spent up to now is 211.5 secs Computing kpt #: 46 total cpu time spent up to now is 214.9 secs Computing kpt #: 47 total cpu time spent up to now is 218.3 secs Computing kpt #: 48 total cpu time spent up to now is 222.0 secs Computing kpt #: 49 total cpu time spent up to now is 225.6 secs Computing kpt #: 50 total cpu time spent up to now is 229.0 secs Computing kpt #: 51 total cpu time spent up to now is 232.6 secs Computing kpt #: 52 total cpu time spent up to now is 236.1 secs Computing kpt #: 53 total cpu time spent up to now is 239.6 secs Computing kpt #: 54 total cpu time spent up to now is 243.4 secs Computing kpt #: 55 total cpu time spent up to now is 247.1 secs Computing kpt #: 56 total cpu time spent up to now is 251.0 secs Computing kpt #: 57 total cpu time spent up to now is 255.3 secs Computing kpt #: 58 total cpu time spent up to now is 259.0 secs Computing kpt #: 59 total cpu time spent up to now is 262.8 secs Computing kpt #: 60 total cpu time spent up to now is 266.9 secs Computing kpt #: 61 total cpu time spent up to now is 270.6 secs Computing kpt #: 62 total cpu time spent up to now is 275.6 secs Computing kpt #: 63 total cpu time spent up to now is 280.6 secs Computing kpt #: 64 total cpu time spent up to now is 284.2 secs Computing kpt #: 65 total cpu time spent up to now is 287.9 secs Computing kpt #: 66 total cpu time spent up to now is 291.5 secs Computing kpt #: 67 total cpu time spent up to now is 294.8 secs Computing kpt #: 68 total cpu time spent up to now is 298.2 secs Computing kpt #: 69 total cpu time spent up to now is 301.8 secs Computing kpt #: 70 total cpu time spent up to now is 305.2 secs Computing kpt #: 71 total cpu time spent up to now is 308.3 secs Computing kpt #: 72 total cpu time spent up to now is 311.5 secs Computing kpt #: 73 total cpu time spent up to now is 315.3 secs Computing kpt #: 74 total cpu time spent up to now is 318.6 secs Computing kpt #: 75 total cpu time spent up to now is 321.6 secs Computing kpt #: 76 total cpu time spent up to now is 325.4 secs Computing kpt #: 77 total cpu time spent up to now is 328.5 secs Computing kpt #: 78 total cpu time spent up to now is 332.2 secs Computing kpt #: 79 total cpu time spent up to now is 335.3 secs Computing kpt #: 80 total cpu time spent up to now is 338.3 secs Computing kpt #: 81 total cpu time spent up to now is 341.5 secs Computing kpt #: 82 total cpu time spent up to now is 344.6 secs Computing kpt #: 83 total cpu time spent up to now is 347.8 secs Computing kpt #: 84 total cpu time spent up to now is 350.9 secs Computing kpt #: 85 total cpu time spent up to now is 354.1 secs Computing kpt #: 86 total cpu time spent up to now is 357.3 secs Computing kpt #: 87 total cpu time spent up to now is 360.4 secs Computing kpt #: 88 total cpu time spent up to now is 363.5 secs Computing kpt #: 89 total cpu time spent up to now is 366.6 secs Computing kpt #: 90 total cpu time spent up to now is 369.8 secs Computing kpt #: 91 total cpu time spent up to now is 372.9 secs Computing kpt #: 92 total cpu time spent up to now is 376.1 secs Computing kpt #: 93 total cpu time spent up to now is 379.2 secs Computing kpt #: 94 total cpu time spent up to now is 382.4 secs Computing kpt #: 95 total cpu time spent up to now is 385.8 secs Computing kpt #: 96 total cpu time spent up to now is 389.3 secs Computing kpt #: 97 total cpu time spent up to now is 393.1 secs Computing kpt #: 98 total cpu time spent up to now is 396.7 secs Computing kpt #: 99 total cpu time spent up to now is 400.3 secs Computing kpt #: 100 total cpu time spent up to now is 403.9 secs Computing kpt #: 101 total cpu time spent up to now is 408.3 secs Computing kpt #: 102 total cpu time spent up to now is 412.0 secs Computing kpt #: 103 total cpu time spent up to now is 416.0 secs Computing kpt #: 104 total cpu time spent up to now is 420.8 secs Computing kpt #: 105 total cpu time spent up to now is 424.8 secs Computing kpt #: 106 total cpu time spent up to now is 429.1 secs Computing kpt #: 107 total cpu time spent up to now is 433.7 secs Computing kpt #: 108 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 439.4 secs Computing kpt #: 109 total cpu time spent up to now is 444.8 secs Computing kpt #: 110 total cpu time spent up to now is 449.8 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 455.8 secs Computing kpt #: 112 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 462.3 secs Computing kpt #: 113 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 468.0 secs Computing kpt #: 114 total cpu time spent up to now is 473.0 secs Computing kpt #: 115 total cpu time spent up to now is 478.0 secs Computing kpt #: 116 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 483.5 secs Computing kpt #: 117 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 489.0 secs Computing kpt #: 118 total cpu time spent up to now is 493.5 secs Computing kpt #: 119 total cpu time spent up to now is 497.5 secs Computing kpt #: 120 total cpu time spent up to now is 501.5 secs Computing kpt #: 121 total cpu time spent up to now is 505.1 secs Computing kpt #: 122 total cpu time spent up to now is 508.8 secs Computing kpt #: 123 total cpu time spent up to now is 512.4 secs Computing kpt #: 124 total cpu time spent up to now is 516.0 secs Computing kpt #: 125 total cpu time spent up to now is 519.6 secs Computing kpt #: 126 total cpu time spent up to now is 523.3 secs Computing kpt #: 127 total cpu time spent up to now is 526.9 secs Computing kpt #: 128 total cpu time spent up to now is 530.4 secs Computing kpt #: 129 total cpu time spent up to now is 534.0 secs Computing kpt #: 130 total cpu time spent up to now is 537.7 secs Computing kpt #: 131 total cpu time spent up to now is 541.9 secs Computing kpt #: 132 total cpu time spent up to now is 546.2 secs Computing kpt #: 133 total cpu time spent up to now is 549.8 secs Computing kpt #: 134 total cpu time spent up to now is 553.3 secs Computing kpt #: 135 total cpu time spent up to now is 556.5 secs Computing kpt #: 136 total cpu time spent up to now is 559.6 secs Computing kpt #: 137 total cpu time spent up to now is 562.7 secs Computing kpt #: 138 total cpu time spent up to now is 565.8 secs Computing kpt #: 139 total cpu time spent up to now is 569.5 secs Computing kpt #: 140 total cpu time spent up to now is 573.7 secs Computing kpt #: 141 total cpu time spent up to now is 577.4 secs Computing kpt #: 142 total cpu time spent up to now is 580.5 secs Computing kpt #: 143 total cpu time spent up to now is 583.6 secs Computing kpt #: 144 total cpu time spent up to now is 586.7 secs Computing kpt #: 145 total cpu time spent up to now is 589.7 secs Computing kpt #: 146 total cpu time spent up to now is 592.7 secs Computing kpt #: 147 total cpu time spent up to now is 595.7 secs Computing kpt #: 148 total cpu time spent up to now is 598.9 secs Computing kpt #: 149 total cpu time spent up to now is 602.0 secs Computing kpt #: 150 total cpu time spent up to now is 605.1 secs Computing kpt #: 151 total cpu time spent up to now is 608.3 secs Computing kpt #: 152 total cpu time spent up to now is 611.5 secs Computing kpt #: 153 total cpu time spent up to now is 614.6 secs Computing kpt #: 154 total cpu time spent up to now is 617.8 secs Computing kpt #: 155 total cpu time spent up to now is 621.0 secs Computing kpt #: 156 total cpu time spent up to now is 624.2 secs Computing kpt #: 157 total cpu time spent up to now is 627.8 secs Computing kpt #: 158 total cpu time spent up to now is 631.2 secs Computing kpt #: 159 total cpu time spent up to now is 634.4 secs Computing kpt #: 160 total cpu time spent up to now is 637.5 secs Computing kpt #: 161 total cpu time spent up to now is 640.7 secs Computing kpt #: 162 total cpu time spent up to now is 644.5 secs Computing kpt #: 163 total cpu time spent up to now is 647.7 secs Computing kpt #: 164 total cpu time spent up to now is 650.8 secs Computing kpt #: 165 total cpu time spent up to now is 653.9 secs Computing kpt #: 166 total cpu time spent up to now is 657.1 secs Computing kpt #: 167 total cpu time spent up to now is 660.3 secs Computing kpt #: 168 total cpu time spent up to now is 663.4 secs Computing kpt #: 169 total cpu time spent up to now is 666.5 secs Computing kpt #: 170 total cpu time spent up to now is 669.6 secs Computing kpt #: 171 total cpu time spent up to now is 672.6 secs Computing kpt #: 172 total cpu time spent up to now is 675.6 secs Computing kpt #: 173 total cpu time spent up to now is 678.7 secs Computing kpt #: 174 total cpu time spent up to now is 681.9 secs Computing kpt #: 175 total cpu time spent up to now is 685.1 secs Computing kpt #: 176 total cpu time spent up to now is 688.2 secs Computing kpt #: 177 total cpu time spent up to now is 691.3 secs Computing kpt #: 178 total cpu time spent up to now is 694.5 secs Computing kpt #: 179 total cpu time spent up to now is 697.7 secs Computing kpt #: 180 total cpu time spent up to now is 701.1 secs Computing kpt #: 181 total cpu time spent up to now is 704.5 secs Computing kpt #: 182 total cpu time spent up to now is 708.1 secs Computing kpt #: 183 total cpu time spent up to now is 711.7 secs Computing kpt #: 184 total cpu time spent up to now is 715.7 secs Computing kpt #: 185 total cpu time spent up to now is 719.6 secs Computing kpt #: 186 total cpu time spent up to now is 724.3 secs Computing kpt #: 187 total cpu time spent up to now is 728.9 secs Computing kpt #: 188 total cpu time spent up to now is 733.6 secs Computing kpt #: 189 total cpu time spent up to now is 738.3 secs Computing kpt #: 190 total cpu time spent up to now is 742.0 secs Computing kpt #: 191 total cpu time spent up to now is 746.0 secs Computing kpt #: 192 total cpu time spent up to now is 749.6 secs Computing kpt #: 193 total cpu time spent up to now is 753.3 secs Computing kpt #: 194 total cpu time spent up to now is 757.0 secs Computing kpt #: 195 total cpu time spent up to now is 760.5 secs Computing kpt #: 196 total cpu time spent up to now is 763.9 secs Computing kpt #: 197 total cpu time spent up to now is 767.3 secs Computing kpt #: 198 total cpu time spent up to now is 770.8 secs Computing kpt #: 199 total cpu time spent up to now is 774.3 secs Computing kpt #: 200 total cpu time spent up to now is 777.8 secs Computing kpt #: 201 total cpu time spent up to now is 781.8 secs Computing kpt #: 202 total cpu time spent up to now is 785.5 secs Computing kpt #: 203 total cpu time spent up to now is 789.1 secs Computing kpt #: 204 total cpu time spent up to now is 792.6 secs Computing kpt #: 205 total cpu time spent up to now is 796.1 secs Computing kpt #: 206 total cpu time spent up to now is 800.4 secs Computing kpt #: 207 total cpu time spent up to now is 803.9 secs Computing kpt #: 208 total cpu time spent up to now is 807.7 secs Computing kpt #: 209 total cpu time spent up to now is 811.2 secs Computing kpt #: 210 total cpu time spent up to now is 814.8 secs Computing kpt #: 211 total cpu time spent up to now is 818.2 secs Computing kpt #: 212 total cpu time spent up to now is 821.6 secs Computing kpt #: 213 total cpu time spent up to now is 825.1 secs Computing kpt #: 214 total cpu time spent up to now is 828.2 secs Computing kpt #: 215 total cpu time spent up to now is 831.4 secs Computing kpt #: 216 total cpu time spent up to now is 834.6 secs Computing kpt #: 217 total cpu time spent up to now is 837.9 secs Computing kpt #: 218 total cpu time spent up to now is 841.0 secs Computing kpt #: 219 total cpu time spent up to now is 844.4 secs Computing kpt #: 220 total cpu time spent up to now is 847.6 secs Computing kpt #: 221 total cpu time spent up to now is 851.0 secs Computing kpt #: 222 total cpu time spent up to now is 854.3 secs Computing kpt #: 223 total cpu time spent up to now is 857.8 secs Computing kpt #: 224 total cpu time spent up to now is 861.4 secs Computing kpt #: 225 total cpu time spent up to now is 864.9 secs Computing kpt #: 226 total cpu time spent up to now is 868.5 secs Computing kpt #: 227 total cpu time spent up to now is 872.7 secs Computing kpt #: 228 total cpu time spent up to now is 878.1 secs Computing kpt #: 229 total cpu time spent up to now is 881.9 secs Computing kpt #: 230 total cpu time spent up to now is 885.6 secs Computing kpt #: 231 total cpu time spent up to now is 889.2 secs Computing kpt #: 232 total cpu time spent up to now is 892.8 secs Computing kpt #: 233 total cpu time spent up to now is 896.3 secs Computing kpt #: 234 total cpu time spent up to now is 900.7 secs Computing kpt #: 235 total cpu time spent up to now is 904.4 secs Computing kpt #: 236 total cpu time spent up to now is 908.0 secs Computing kpt #: 237 total cpu time spent up to now is 911.7 secs Computing kpt #: 238 total cpu time spent up to now is 916.1 secs Computing kpt #: 239 total cpu time spent up to now is 919.8 secs Computing kpt #: 240 total cpu time spent up to now is 923.6 secs Computing kpt #: 241 total cpu time spent up to now is 927.4 secs Computing kpt #: 242 total cpu time spent up to now is 931.7 secs Computing kpt #: 243 total cpu time spent up to now is 935.8 secs Computing kpt #: 244 total cpu time spent up to now is 939.7 secs Computing kpt #: 245 total cpu time spent up to now is 943.4 secs Computing kpt #: 246 total cpu time spent up to now is 946.8 secs Computing kpt #: 247 total cpu time spent up to now is 949.9 secs Computing kpt #: 248 total cpu time spent up to now is 953.0 secs Computing kpt #: 249 total cpu time spent up to now is 956.3 secs Computing kpt #: 250 total cpu time spent up to now is 959.4 secs Computing kpt #: 251 total cpu time spent up to now is 962.5 secs Computing kpt #: 252 total cpu time spent up to now is 965.6 secs Computing kpt #: 253 total cpu time spent up to now is 968.8 secs Computing kpt #: 254 total cpu time spent up to now is 972.3 secs Computing kpt #: 255 total cpu time spent up to now is 975.8 secs Computing kpt #: 256 total cpu time spent up to now is 979.2 secs Computing kpt #: 257 total cpu time spent up to now is 982.7 secs Computing kpt #: 258 total cpu time spent up to now is 986.1 secs Computing kpt #: 259 total cpu time spent up to now is 989.3 secs Computing kpt #: 260 total cpu time spent up to now is 992.4 secs Computing kpt #: 261 total cpu time spent up to now is 995.6 secs Computing kpt #: 262 total cpu time spent up to now is 998.8 secs Computing kpt #: 263 total cpu time spent up to now is 1002.0 secs Computing kpt #: 264 total cpu time spent up to now is 1005.1 secs Computing kpt #: 265 total cpu time spent up to now is 1008.2 secs Computing kpt #: 266 total cpu time spent up to now is 1011.4 secs Computing kpt #: 267 total cpu time spent up to now is 1014.5 secs Computing kpt #: 268 total cpu time spent up to now is 1017.5 secs Computing kpt #: 269 total cpu time spent up to now is 1020.8 secs Computing kpt #: 270 total cpu time spent up to now is 1024.2 secs Computing kpt #: 271 total cpu time spent up to now is 1027.5 secs Computing kpt #: 272 total cpu time spent up to now is 1030.8 secs Computing kpt #: 273 total cpu time spent up to now is 1034.1 secs Computing kpt #: 274 total cpu time spent up to now is 1037.5 secs Computing kpt #: 275 total cpu time spent up to now is 1040.8 secs Computing kpt #: 276 total cpu time spent up to now is 1044.1 secs Computing kpt #: 277 total cpu time spent up to now is 1047.4 secs Computing kpt #: 278 total cpu time spent up to now is 1050.8 secs Computing kpt #: 279 total cpu time spent up to now is 1054.2 secs Computing kpt #: 280 total cpu time spent up to now is 1057.5 secs Computing kpt #: 281 total cpu time spent up to now is 1060.8 secs Computing kpt #: 282 total cpu time spent up to now is 1063.9 secs Computing kpt #: 283 total cpu time spent up to now is 1067.1 secs Computing kpt #: 284 total cpu time spent up to now is 1070.2 secs Computing kpt #: 285 total cpu time spent up to now is 1073.5 secs ethr = 2.38E-11, avg # of iterations = 47.9 total cpu time spent up to now is 1073.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4643 PWs) bands (ev): -8.4776 -8.4776 -7.3077 -7.3077 -7.3059 -7.3059 -7.2016 -7.2016 -3.5023 -3.5023 -3.4840 -3.4840 -2.8842 -2.8842 -2.8694 -2.8694 -2.8305 -2.8305 -0.8125 -0.8125 -0.2441 -0.2441 1.0706 1.0706 1.2344 1.2344 1.2354 1.2354 1.7110 1.7110 1.8874 1.8874 2.5142 2.5142 2.5275 2.5275 3.9653 3.9653 4.0190 4.0190 4.1435 4.1435 6.7676 6.7676 7.3088 7.3088 8.2474 8.2474 9.7078 9.7078 k = 0.0000 0.0000 0.0206 ( 4643 PWs) bands (ev): -8.4769 -8.4769 -7.3082 -7.3081 -7.3064 -7.3062 -7.2018 -7.2016 -3.5028 -3.5023 -3.4842 -3.4836 -2.8850 -2.8837 -2.8714 -2.8675 -2.8323 -2.8289 -0.8132 -0.8115 -0.2442 -0.2434 1.0621 1.0650 1.2312 1.2319 1.2426 1.2467 1.7112 1.7144 1.8866 1.8880 2.5139 2.5158 2.5279 2.5291 3.9605 3.9634 4.0153 4.0163 4.1408 4.1434 6.7741 6.7744 7.3119 7.3135 8.2502 8.2511 9.7071 9.7073 k = 0.0000 0.0000 0.0412 ( 4645 PWs) bands (ev): -8.4748 -8.4748 -7.3095 -7.3093 -7.3077 -7.3073 -7.2022 -7.2017 -3.5036 -3.5026 -3.4843 -3.4830 -2.8858 -2.8835 -2.8735 -2.8658 -2.8343 -2.8276 -0.8135 -0.8100 -0.2436 -0.2419 1.0443 1.0486 1.2222 1.2240 1.2654 1.2726 1.7148 1.7212 1.8854 1.8882 2.5134 2.5176 2.5313 2.5344 3.9474 3.9532 4.0070 4.0095 4.1356 4.1403 6.7936 6.7940 7.3227 7.3259 8.2595 8.2612 9.7041 9.7047 k = 0.0000 0.0000 0.0618 ( 4637 PWs) bands (ev): -8.4713 -8.4712 -7.3117 -7.3114 -7.3096 -7.3092 -7.2027 -7.2021 -3.5047 -3.5034 -3.4844 -3.4823 -2.8869 -2.8836 -2.8755 -2.8641 -2.8363 -2.8265 -0.8134 -0.8083 -0.2425 -0.2401 1.0235 1.0283 1.2084 1.2110 1.2971 1.3064 1.7212 1.7304 1.8836 1.8877 2.5122 2.5181 2.5399 2.5445 3.9227 3.9307 3.9985 4.0027 4.1280 4.1342 6.8252 6.8256 7.3410 7.3457 8.2754 8.2779 9.6980 9.6994 k = 0.0000 0.0000 0.0825 ( 4633 PWs) bands (ev): -8.4664 -8.4663 -7.3148 -7.3143 -7.3123 -7.3119 -7.2034 -7.2026 -3.5060 -3.5045 -3.4847 -3.4813 -2.8881 -2.8842 -2.8774 -2.8626 -2.8382 -2.8256 -0.8129 -0.8065 -0.2412 -0.2381 1.0037 1.0086 1.1907 1.1939 1.3333 1.3441 1.7292 1.7409 1.8811 1.8862 2.5113 2.5182 2.5534 2.5592 3.8857 3.8947 3.9923 3.9974 4.1180 4.1251 6.8676 6.8679 7.3666 7.3728 8.2980 8.3013 9.6893 9.6915 k = 0.0000 0.0000 0.1031 ( 4625 PWs) bands (ev): -8.4601 -8.4600 -7.3188 -7.3181 -7.3155 -7.3151 -7.2044 -7.2033 -3.5076 -3.5058 -3.4851 -3.4801 -2.8895 -2.8854 -2.8792 -2.8613 -2.8398 -2.8249 -0.8123 -0.8045 -0.2403 -0.2364 0.9874 0.9922 1.1701 1.1738 1.3714 1.3836 1.7368 1.7507 1.8786 1.8843 2.5121 2.5198 2.5710 2.5781 3.8381 3.8474 3.9874 3.9934 4.1054 4.1133 6.9191 6.9193 7.3990 7.4065 8.3274 8.3314 9.6785 9.6813 k = 0.0000 0.0000 0.1237 ( 4629 PWs) bands (ev): -8.4524 -8.4523 -7.3237 -7.3227 -7.3194 -7.3190 -7.2055 -7.2042 -3.5095 -3.5073 -3.4856 -3.4788 -2.8913 -2.8873 -2.8806 -2.8601 -2.8410 -2.8244 -0.8116 -0.8027 -0.2400 -0.2355 0.9761 0.9806 1.1476 1.1517 1.4099 1.4235 1.7411 1.7564 1.8782 1.8838 2.5158 2.5241 2.5924 2.6006 3.7820 3.7914 3.9827 3.9900 4.0903 4.0990 6.9775 6.9783 7.4379 7.4465 8.3639 8.3685 9.6658 9.6693 k = 0.0000 0.0000 0.1443 ( 4619 PWs) bands (ev): -8.4434 -8.4432 -7.3294 -7.3282 -7.3239 -7.3235 -7.2068 -7.2053 -3.5116 -3.5088 -3.4863 -3.4774 -2.8936 -2.8896 -2.8819 -2.8593 -2.8416 -2.8239 -0.8109 -0.8012 -0.2411 -0.2360 0.9707 0.9751 1.1242 1.1285 1.4474 1.4623 1.7386 1.7543 1.8832 1.8878 2.5234 2.5322 2.6169 2.6263 3.7192 3.7289 3.9774 3.9868 4.0725 4.0825 7.0410 7.0426 7.4826 7.4921 8.4075 8.4126 9.6516 9.6557 k = 0.0000 0.0000 0.1649 ( 4623 PWs) bands (ev): -8.4331 -8.4328 -7.3359 -7.3345 -7.3290 -7.3285 -7.2084 -7.2067 -3.5140 -3.5105 -3.4873 -3.4760 -2.8964 -2.8924 -2.8828 -2.8587 -2.8416 -2.8235 -0.8105 -0.8001 -0.2438 -0.2384 0.9722 0.9764 1.1006 1.1052 1.4820 1.4983 1.7274 1.7426 1.8953 1.8994 2.5354 2.5445 2.6440 2.6547 3.6515 3.6618 3.9711 3.9835 4.0521 4.0645 7.1080 7.1104 7.5326 7.5427 8.4583 8.4638 9.6359 9.6408 k = 0.0000 0.0000 0.1855 ( 4619 PWs) bands (ev): -8.4214 -8.4211 -7.3431 -7.3415 -7.3346 -7.3341 -7.2103 -7.2083 -3.5164 -3.5122 -3.4883 -3.4745 -2.8995 -2.8956 -2.8835 -2.8582 -2.8410 -2.8231 -0.8104 -0.7996 -0.2488 -0.2431 0.9809 0.9852 1.0777 1.0823 1.5106 1.5284 1.7103 1.7245 1.9137 1.9188 2.5519 2.5612 2.6731 2.6852 3.5806 3.5919 3.9629 3.9800 4.0292 4.0457 7.1766 7.1799 7.5872 7.5976 8.5163 8.5221 9.6191 9.6246 k = 0.0000 0.0000 0.2062 ( 4623 PWs) bands (ev): -8.4085 -8.4082 -7.3510 -7.3492 -7.3407 -7.3401 -7.2124 -7.2103 -3.5190 -3.5141 -3.4895 -3.4730 -2.9029 -2.8991 -2.8839 -2.8579 -2.8400 -2.8227 -0.8107 -0.7998 -0.2561 -0.2504 0.9971 1.0018 1.0561 1.0606 1.5269 1.5455 1.6960 1.7082 1.9374 1.9440 2.5726 2.5822 2.7032 2.7169 3.5083 3.5208 3.9517 3.9761 4.0042 4.0275 7.2455 7.2496 7.6457 7.6561 8.5811 8.5872 9.6012 9.6073 k = 0.0000 0.0000 0.2268 ( 4613 PWs) bands (ev): -8.3943 -8.3940 -7.3595 -7.3576 -7.3473 -7.3467 -7.2148 -7.2125 -3.5216 -3.5162 -3.4907 -3.4716 -2.9066 -2.9027 -2.8840 -2.8576 -2.8387 -2.8223 -0.8118 -0.8008 -0.2661 -0.2605 1.0181 1.0261 1.0378 1.0418 1.5216 1.5399 1.6960 1.7051 1.9650 1.9728 2.5969 2.6067 2.7334 2.7491 3.4363 3.4507 3.9358 3.9697 3.9792 4.0115 7.3136 7.3185 7.7073 7.7171 8.6524 8.6586 9.5821 9.5888 k = 0.0000 0.0000 0.2474 ( 4607 PWs) bands (ev): -8.3789 -8.3785 -7.3686 -7.3666 -7.3543 -7.3536 -7.2176 -7.2151 -3.5242 -3.5184 -3.4919 -3.4702 -2.9105 -2.9062 -2.8839 -2.8575 -2.8372 -2.8219 -0.8135 -0.8027 -0.2786 -0.2733 1.0143 1.0209 1.0568 1.0585 1.4935 1.5109 1.7115 1.7198 1.9955 2.0041 2.6239 2.6341 2.7625 2.7804 3.3668 3.3835 3.9148 3.9452 3.9703 3.9987 7.3803 7.3857 7.7708 7.7799 8.7292 8.7356 9.5616 9.5689 k = 0.0000 0.0000 0.2680 ( 4627 PWs) bands (ev): -8.3623 -8.3620 -7.3783 -7.3762 -7.3616 -7.3609 -7.2208 -7.2181 -3.5268 -3.5208 -3.4931 -3.4688 -2.9148 -2.9095 -2.8837 -2.8574 -2.8356 -2.8215 -0.8160 -0.8055 -0.2937 -0.2887 0.9989 1.0047 1.0942 1.0968 1.4515 1.4678 1.7357 1.7447 2.0276 2.0368 2.6529 2.6635 2.7888 2.8093 3.3024 3.3220 3.8889 3.9142 3.9659 3.9889 7.4452 7.4510 7.8352 7.8433 8.8104 8.8170 9.5393 9.5471 k = 0.0000 0.0000 0.2886 ( 4613 PWs) bands (ev): -8.3446 -8.3442 -7.3884 -7.3862 -7.3692 -7.3684 -7.2243 -7.2215 -3.5293 -3.5234 -3.4942 -3.4676 -2.9191 -2.9125 -2.8832 -2.8573 -2.8339 -2.8210 -0.8194 -0.8093 -0.3109 -0.3064 0.9851 0.9904 1.1376 1.1394 1.4048 1.4188 1.7636 1.7732 2.0604 2.0700 2.6823 2.6937 2.8107 2.8338 3.2464 3.2693 3.8597 3.8817 3.9617 3.9812 7.5081 7.5142 7.8995 7.9065 8.8942 8.9010 9.5147 9.5228 k = 0.0000 0.0000 0.3092 ( 4637 PWs) bands (ev): -8.3258 -8.3255 -7.3989 -7.3967 -7.3770 -7.3763 -7.2282 -7.2254 -3.5318 -3.5262 -3.4952 -3.4665 -2.9235 -2.9152 -2.8825 -2.8573 -2.8323 -2.8205 -0.8237 -0.8141 -0.3300 -0.3260 0.9731 0.9778 1.1796 1.1821 1.3635 1.3716 1.7924 1.8020 2.0929 2.1025 2.7102 2.7229 2.8273 2.8519 3.2030 3.2286 3.8284 3.8483 3.9577 3.9748 7.5692 7.5756 7.9625 7.9684 8.9783 8.9853 9.4873 9.4954 k = 0.0000 0.0000 0.3299 ( 4633 PWs) bands (ev): -8.3060 -8.3056 -7.4098 -7.4075 -7.3850 -7.3843 -7.2326 -7.2297 -3.5341 -3.5290 -3.4961 -3.4655 -2.9277 -2.9175 -2.8817 -2.8575 -2.8307 -2.8201 -0.8288 -0.8197 -0.3506 -0.3473 0.9625 0.9662 1.1977 1.2112 1.3446 1.3499 1.8205 1.8297 2.1237 2.1332 2.7332 2.7482 2.8400 2.8636 3.1758 3.2025 3.7960 3.8147 3.9539 3.9694 7.6287 7.6352 8.0232 8.0284 9.0587 9.0659 9.4574 9.4651 k = 0.0000 0.0000 0.3505 ( 4619 PWs) bands (ev): -8.2853 -8.2849 -7.4210 -7.4187 -7.3931 -7.3924 -7.2375 -7.2344 -3.5362 -3.5319 -3.4969 -3.4647 -2.9318 -2.9194 -2.8808 -2.8577 -2.8293 -2.8196 -0.8346 -0.8262 -0.3724 -0.3696 0.9519 0.9540 1.1767 1.1965 1.3681 1.3831 1.8468 1.8550 2.1516 2.1607 2.7468 2.7648 2.8545 2.8736 3.1652 3.1908 3.7636 3.7816 3.9503 3.9647 7.6867 7.6934 8.0809 8.0854 9.1287 9.1361 9.4278 9.4349 k = 0.0000 0.0000 0.3711 ( 4611 PWs) bands (ev): -8.2636 -8.2632 -7.4325 -7.4302 -7.4013 -7.4006 -7.2428 -7.2398 -3.5382 -3.5348 -3.4977 -3.4640 -2.9356 -2.9211 -2.8797 -2.8581 -2.8279 -2.8192 -0.8412 -0.8333 -0.3951 -0.3927 0.9369 0.9400 1.1401 1.1572 1.4257 1.4431 1.8698 1.8767 2.1757 2.1838 2.7500 2.7698 2.8755 2.8894 3.1678 3.1902 3.7323 3.7500 3.9471 3.9607 7.7436 7.7505 8.1347 8.1390 9.1745 9.1815 9.4084 9.4154 k = 0.0000 0.0000 0.3917 ( 4615 PWs) bands (ev): -8.2410 -8.2406 -7.4441 -7.4419 -7.4095 -7.4088 -7.2487 -7.2456 -3.5400 -3.5377 -3.4984 -3.4636 -2.9392 -2.9224 -2.8786 -2.8587 -2.8268 -2.8189 -0.8484 -0.8410 -0.4182 -0.4162 0.9121 0.9204 1.1082 1.1195 1.4956 1.5141 1.8878 1.8934 2.1956 2.2020 2.7488 2.7681 2.9020 2.9124 3.1778 3.1961 3.7036 3.7210 3.9444 3.9575 7.7996 7.8067 8.1839 8.1883 9.1763 9.1820 9.4152 9.4236 k = 0.0000 0.0000 0.4123 ( 4609 PWs) bands (ev): -8.2177 -8.2173 -7.4560 -7.4538 -7.4176 -7.4169 -7.2552 -7.2521 -3.5418 -3.5402 -3.4990 -3.4634 -2.9425 -2.9233 -2.8774 -2.8595 -2.8259 -2.8186 -0.8560 -0.8491 -0.4417 -0.4395 0.8751 0.8893 1.0893 1.0944 1.5712 1.5908 1.8981 1.9039 2.2119 2.2162 2.7500 2.7676 2.9309 2.9391 3.1905 3.2043 3.6787 3.6961 3.9424 3.9550 7.8549 7.8621 8.2279 8.2326 9.1351 9.1390 9.4443 9.4544 k = 0.0000 0.0000 0.4329 ( 4609 PWs) bands (ev): -8.1936 -8.1932 -7.4679 -7.4658 -7.4256 -7.4250 -7.2622 -7.2591 -3.5438 -3.5422 -3.4996 -3.4634 -2.9454 -2.9240 -2.8761 -2.8605 -2.8252 -2.8184 -0.8640 -0.8574 -0.4650 -0.4625 0.8272 0.8457 1.0825 1.0858 1.6498 1.6705 1.8989 1.9067 2.2264 2.2293 2.7571 2.7725 2.9600 2.9669 3.2026 3.2115 3.6592 3.6766 3.9412 3.9534 7.9095 7.9170 8.2661 8.2713 9.0686 9.0712 9.4757 9.4870 k = 0.0000 0.0000 0.4536 ( 4605 PWs) bands (ev): -8.1689 -8.1685 -7.4799 -7.4779 -7.4334 -7.4328 -7.2697 -7.2667 -3.5460 -3.5435 -3.5002 -3.4636 -2.9480 -2.9243 -2.8749 -2.8617 -2.8248 -2.8182 -0.8721 -0.8658 -0.4880 -0.4849 0.7727 0.7934 1.0852 1.0904 1.7284 1.7500 1.8908 1.9013 2.2409 2.2454 2.7700 2.7833 2.9881 2.9942 3.2121 3.2160 3.6463 3.6637 3.9409 3.9528 7.9636 7.9713 8.2977 8.3036 8.9879 8.9895 9.4985 9.5108 k = 0.0000 0.0000 0.4742 ( 4601 PWs) bands (ev): -8.1437 -8.1433 -7.4919 -7.4900 -7.4409 -7.4403 -7.2779 -7.2749 -3.5482 -3.5444 -3.5008 -3.4641 -2.9502 -2.9243 -2.8736 -2.8630 -2.8247 -2.8181 -0.8802 -0.8741 -0.5102 -0.5065 0.7149 0.7364 1.0959 1.1028 1.7983 1.8172 1.8862 1.8940 2.2591 2.2657 2.7866 2.7983 3.0142 3.0203 3.2165 3.2201 3.6405 3.6578 3.9418 3.9534 8.0169 8.0249 8.3223 8.3288 8.8981 8.8991 9.5120 9.5253 k = 0.0000 0.0000 0.4948 ( 4597 PWs) bands (ev): -8.1179 -8.1176 -7.5039 -7.5021 -7.4481 -7.4476 -7.2866 -7.2838 -3.5500 -3.5451 -3.5015 -3.4649 -2.9521 -2.9241 -2.8726 -2.8644 -2.8249 -2.8180 -0.8882 -0.8822 -0.5314 -0.5270 0.6559 0.6775 1.1125 1.1206 1.8154 1.8288 1.9219 1.9352 2.2826 2.2907 2.8036 2.8149 3.0373 3.0449 3.2166 3.2261 3.6415 3.6587 3.9439 3.9552 8.0691 8.0775 8.3394 8.3464 8.8024 8.8031 9.5196 9.5338 k = 0.0000 0.0000 0.5154 ( 4593 PWs) bands (ev): -8.0918 -8.0914 -7.5159 -7.5142 -7.4549 -7.4545 -7.2960 -7.2933 -3.5516 -3.5454 -3.5022 -3.4660 -2.9535 -2.9236 -2.8720 -2.8656 -2.8254 -2.8181 -0.8959 -0.8899 -0.5513 -0.5462 0.5971 0.6184 1.1333 1.1425 1.7872 1.8043 1.9887 2.0079 2.3122 2.3209 2.8179 2.8301 3.0565 3.0669 3.2186 3.2343 3.6482 3.6653 3.9473 3.9582 8.1195 8.1284 8.3486 8.3559 8.7034 8.7041 9.5251 9.5401 k = 0.0000 0.0000 0.5360 ( 4601 PWs) bands (ev): -8.0653 -8.0650 -7.5279 -7.5263 -7.4613 -7.4609 -7.3059 -7.3033 -3.5528 -3.5455 -3.5030 -3.4674 -2.9546 -2.9228 -2.8724 -2.8661 -2.8262 -2.8182 -0.9032 -0.8973 -0.5699 -0.5641 0.5393 0.5599 1.1574 1.1677 1.7508 1.7700 2.0570 2.0779 2.3481 2.3568 2.8276 2.8420 3.0709 3.0846 3.2268 3.2479 3.6591 3.6761 3.9520 3.9626 8.1661 8.1756 8.3501 8.3572 8.6046 8.6056 9.5310 9.5465 k = 0.0000 0.0000 0.5566 ( 4595 PWs) bands (ev): -8.0387 -8.0384 -7.5399 -7.5384 -7.4672 -7.4668 -7.3163 -7.3139 -3.5536 -3.5454 -3.5038 -3.4691 -2.9553 -2.9219 -2.8740 -2.8658 -2.8272 -2.8184 -0.9101 -0.9042 -0.5867 -0.5803 0.4830 0.5027 1.1838 1.1953 1.7123 1.7333 2.1173 2.1388 2.3906 2.3991 2.8330 2.8499 3.0798 3.0962 3.2444 3.2689 3.6727 3.6897 3.9581 3.9682 8.2033 8.2136 8.3452 8.3510 8.5117 8.5142 9.5386 9.5542 k = 0.0000 0.0000 0.5772 ( 4595 PWs) bands (ev): -8.0120 -8.0116 -7.5518 -7.5504 -7.4725 -7.4721 -7.3272 -7.3250 -3.5541 -3.5450 -3.5047 -3.4711 -2.9556 -2.9208 -2.8763 -2.8651 -2.8284 -2.8188 -0.9164 -0.9106 -0.6018 -0.5948 0.4287 0.4473 1.2114 1.2244 1.6746 1.6974 2.1655 2.1868 2.4391 2.4479 2.8361 2.8553 3.0837 3.1019 3.2716 3.2974 3.6878 3.7047 3.9654 3.9749 8.2138 8.2247 8.3376 8.3399 8.4409 8.4460 9.5482 9.5633 k = 0.0000 0.0000 0.5979 ( 4585 PWs) bands (ev): -7.9853 -7.9849 -7.5638 -7.5624 -7.4772 -7.4769 -7.3386 -7.3365 -3.5542 -3.5444 -3.5056 -3.4734 -2.9555 -2.9196 -2.8790 -2.8644 -2.8297 -2.8192 -0.9222 -0.9165 -0.6149 -0.6074 0.3767 0.3942 1.2391 1.2540 1.6398 1.6647 2.1996 2.2201 2.4909 2.5008 2.8410 2.8617 3.0835 3.1028 3.3060 3.3318 3.7032 3.7200 3.9737 3.9827 8.1739 8.1846 8.3224 8.3237 8.4235 8.4272 9.5591 9.5731 k = 0.0000 0.0000 0.6185 ( 4585 PWs) bands (ev): -7.9587 -7.9582 -7.5758 -7.5744 -7.4812 -7.4809 -7.3503 -7.3485 -3.5539 -3.5437 -3.5067 -3.4759 -2.9551 -2.9183 -2.8818 -2.8639 -2.8310 -2.8197 -0.9274 -0.9219 -0.6260 -0.6181 0.3274 0.3436 1.2652 1.2823 1.6104 1.6376 2.2195 2.2388 2.5420 2.5533 2.8522 2.8734 3.0800 3.1002 3.3448 3.3699 3.7182 3.7349 3.9829 3.9912 8.0971 8.1070 8.2953 8.2989 8.4510 8.4513 9.5699 9.5823 k = 0.0000 0.0000 0.6391 ( 4585 PWs) bands (ev): -7.9324 -7.9318 -7.5879 -7.5866 -7.4845 -7.4841 -7.3623 -7.3606 -3.5532 -3.5427 -3.5078 -3.4787 -2.9542 -2.9171 -2.8846 -2.8637 -2.8322 -2.8204 -0.9321 -0.9268 -0.6350 -0.6270 0.2811 0.2960 1.2877 1.3070 1.5893 1.6186 2.2257 2.2438 2.5886 2.6008 2.8738 2.8936 3.0739 3.0954 3.3855 3.4098 3.7322 3.7488 3.9926 4.0002 8.0083 8.0177 8.2651 8.2695 8.4909 8.4926 9.5787 9.5889 k = 0.0000 0.0000 0.6597 ( 4577 PWs) bands (ev): -7.9064 -7.9057 -7.6002 -7.5988 -7.4870 -7.4865 -7.3745 -7.3729 -3.5522 -3.5416 -3.5088 -3.4817 -2.9530 -2.9161 -2.8872 -2.8639 -2.8331 -2.8212 -0.9362 -0.9313 -0.6421 -0.6340 0.2381 0.2516 1.3042 1.3247 1.5797 1.6104 2.2193 2.2361 2.6287 2.6412 2.9062 2.9223 3.0659 3.0897 3.4265 3.4497 3.7448 3.7612 4.0026 4.0095 7.9187 7.9276 8.2337 8.2381 8.5349 8.5375 9.5833 9.5910 k = 0.0000 0.0000 0.6803 ( 4581 PWs) bands (ev): -7.8809 -7.8801 -7.6128 -7.6113 -7.4886 -7.4881 -7.3866 -7.3851 -3.5509 -3.5405 -3.5099 -3.4849 -2.9514 -2.9156 -2.8893 -2.8647 -2.8338 -2.8220 -0.9399 -0.9353 -0.6471 -0.6393 0.1989 0.2109 1.3132 1.3330 1.5845 1.6145 2.2020 2.2176 2.6632 2.6756 2.9444 2.9550 3.0577 3.0858 3.4663 3.4884 3.7556 3.7717 4.0124 4.0185 7.8332 7.8415 8.2021 8.2063 8.5792 8.5821 9.5826 9.5880 k = 0.0000 0.0000 0.7009 ( 4583 PWs) bands (ev): -7.8561 -7.8552 -7.6257 -7.6242 -7.4894 -7.4887 -7.3985 -7.3971 -3.5494 -3.5393 -3.5108 -3.4883 -2.9495 -2.9158 -2.8907 -2.8660 -2.8341 -2.8230 -0.9430 -0.9389 -0.6505 -0.6431 0.1638 0.1743 1.3149 1.3322 1.6030 1.6307 2.1758 2.1904 2.6941 2.7062 2.9741 2.9854 3.0557 3.0899 3.5039 3.5246 3.7646 3.7802 4.0218 4.0271 7.7544 7.7621 8.1717 8.1754 8.6219 8.6249 9.5768 9.5803 k = 0.0000 0.0000 0.7216 ( 4589 PWs) bands (ev): -7.8321 -7.8310 -7.6391 -7.6375 -7.4892 -7.4885 -7.4099 -7.4087 -3.5477 -3.5382 -3.5115 -3.4917 -2.9472 -2.9170 -2.8909 -2.8678 -2.8340 -2.8240 -0.9456 -0.9421 -0.6523 -0.6456 0.1333 0.1421 1.3114 1.3254 1.6320 1.6565 2.1430 2.1568 2.7231 2.7349 2.9826 2.9967 3.0748 3.1077 3.5384 3.5573 3.7718 3.7865 4.0305 4.0350 7.6845 7.6914 8.1437 8.1467 8.6615 8.6643 9.5670 9.5691 k = 0.0000 0.0000 0.7422 ( 4589 PWs) bands (ev): -7.8090 -7.8078 -7.6530 -7.6513 -7.4881 -7.4874 -7.4207 -7.4195 -3.5458 -3.5374 -3.5119 -3.4951 -2.9447 -2.9191 -2.8902 -2.8700 -2.8336 -2.8251 -0.9477 -0.9448 -0.6529 -0.6472 0.1076 0.1148 1.3054 1.3161 1.6673 1.6885 2.1061 2.1191 2.7510 2.7625 2.9754 2.9879 3.1093 3.1345 3.5688 3.5855 3.7773 3.7906 4.0380 4.0417 7.6250 7.6308 8.1190 8.1215 8.6968 8.6993 9.5552 9.5564 k = 0.0000 0.0000 0.7628 ( 4593 PWs) bands (ev): -7.7871 -7.7858 -7.6674 -7.6657 -7.4863 -7.4855 -7.4303 -7.4292 -3.5439 -3.5370 -3.5117 -3.4985 -2.9418 -2.9219 -2.8886 -2.8726 -2.8329 -2.8263 -0.9493 -0.9470 -0.6527 -0.6482 0.0874 0.0928 1.2991 1.3068 1.7054 1.7232 2.0679 2.0799 2.7776 2.7885 2.9610 2.9721 3.1430 3.1610 3.5944 3.6082 3.7814 3.7927 4.0443 4.0472 7.5774 7.5820 8.0989 8.1007 8.7264 8.7284 9.5434 9.5440 k = 0.0000 0.0000 0.7834 ( 4587 PWs) bands (ev): -7.7669 -7.7656 -7.6820 -7.6804 -7.4839 -7.4832 -7.4383 -7.4374 -3.5420 -3.5371 -3.5109 -3.5017 -2.9387 -2.9251 -2.8865 -2.8754 -2.8320 -2.8274 -0.9503 -0.9488 -0.6520 -0.6489 0.0729 0.0765 1.2941 1.2990 1.7424 1.7563 2.0322 2.0424 2.8022 2.8117 2.9449 2.9544 3.1701 3.1817 3.6144 3.6244 3.7846 3.7929 4.0491 4.0511 7.5428 7.5460 8.0840 8.0852 8.7489 8.7503 9.5333 9.5336 k = 0.0000 0.0000 0.8040 ( 4598 PWs) bands (ev): -7.7498 -7.7487 -7.6954 -7.6942 -7.4817 -7.4813 -7.4438 -7.4433 -3.5403 -3.5377 -3.5094 -3.5047 -2.9354 -2.9285 -2.8840 -2.8783 -2.8309 -2.8286 -0.9508 -0.9500 -0.6512 -0.6496 0.0644 0.0662 1.2912 1.2936 1.7729 1.7812 2.0055 2.0120 2.8223 2.8286 2.9319 2.9381 3.1881 3.1939 3.6280 3.6333 3.7873 3.7917 4.0523 4.0532 7.5220 7.5237 8.0749 8.0755 8.7631 8.7639 9.5265 9.5267 k = 0.0000 0.0000 0.8246 ( 4598 PWs) bands (ev): -7.7410 -7.7410 -7.7019 -7.7019 -7.4806 -7.4806 -7.4456 -7.4456 -3.5388 -3.5388 -3.5073 -3.5073 -2.9320 -2.9320 -2.8812 -2.8812 -2.8298 -2.8298 -0.9507 -0.9507 -0.6503 -0.6503 0.0622 0.0622 1.2910 1.2910 1.7882 1.7882 1.9973 1.9973 2.8330 2.8330 2.9287 2.9287 3.1962 3.1962 3.6345 3.6345 3.7897 3.7897 4.0537 4.0537 7.5156 7.5156 8.0721 8.0721 8.7682 8.7682 9.5242 9.5242 k = 0.0000 0.0000 0.8246 ( 4598 PWs) bands (ev): -7.7410 -7.7410 -7.7019 -7.7019 -7.4806 -7.4806 -7.4456 -7.4456 -3.5388 -3.5388 -3.5073 -3.5073 -2.9320 -2.9320 -2.8812 -2.8812 -2.8298 -2.8298 -0.9507 -0.9507 -0.6503 -0.6503 0.0622 0.0622 1.2910 1.2910 1.7882 1.7882 1.9973 1.9973 2.8330 2.8330 2.9287 2.9287 3.1962 3.1962 3.6345 3.6345 3.7897 3.7897 4.0537 4.0537 7.5156 7.5156 8.0721 8.0721 8.7682 8.7682 9.5242 9.5242 k =-0.0121 0.0159 0.8246 ( 4598 PWs) bands (ev): -7.7410 -7.7409 -7.7019 -7.7019 -7.4807 -7.4807 -7.4459 -7.4457 -3.5406 -3.5372 -3.5116 -3.5034 -2.9347 -2.9301 -2.8860 -2.8765 -2.8315 -2.8284 -0.9481 -0.9474 -0.6489 -0.6483 0.0614 0.0623 1.2908 1.2916 1.7879 1.7887 1.9969 1.9981 2.8291 2.8315 2.9262 2.9282 3.1953 3.1963 3.6340 3.6343 3.7879 3.7892 4.0521 4.0523 7.5172 7.5180 8.0738 8.0740 8.7732 8.7748 9.5252 9.5258 k =-0.0242 0.0318 0.8246 ( 4588 PWs) bands (ev): -7.7407 -7.7405 -7.7021 -7.7020 -7.4810 -7.4809 -7.4464 -7.4460 -3.5426 -3.5358 -3.5163 -3.4999 -2.9382 -2.9289 -2.8906 -2.8722 -2.8336 -2.8275 -0.9396 -0.9382 -0.6442 -0.6431 0.0601 0.0618 1.2910 1.2925 1.7880 1.7894 1.9969 1.9993 2.8200 2.8247 2.9209 2.9248 3.1935 3.1955 3.6327 3.6334 3.7838 3.7863 4.0478 4.0482 7.5228 7.5244 8.0791 8.0795 8.7895 8.7927 9.5288 9.5300 k =-0.0363 0.0477 0.8246 ( 4590 PWs) bands (ev): -7.7402 -7.7400 -7.7023 -7.7023 -7.4814 -7.4813 -7.4471 -7.4466 -3.5449 -3.5347 -3.5211 -3.4970 -2.9425 -2.9287 -2.8946 -2.8685 -2.8359 -2.8270 -0.9254 -0.9232 -0.6362 -0.6345 0.0581 0.0606 1.2915 1.2938 1.7883 1.7904 1.9972 2.0009 2.8057 2.8127 2.9129 2.9186 3.1910 3.1939 3.6306 3.6317 3.7776 3.7812 4.0407 4.0413 7.5323 7.5347 8.0879 8.0885 8.8169 8.8213 9.5342 9.5361 k =-0.0484 0.0635 0.8246 ( 4590 PWs) bands (ev): -7.7395 -7.7392 -7.7027 -7.7027 -7.4820 -7.4819 -7.4481 -7.4474 -3.5476 -3.5338 -3.5259 -3.4947 -2.9478 -2.9294 -2.8976 -2.8654 -2.8384 -2.8269 -0.9056 -0.9025 -0.6249 -0.6227 0.0554 0.0588 1.2925 1.2955 1.7888 1.7917 1.9979 2.0027 2.7864 2.7957 2.9023 2.9098 3.1877 3.1915 3.6278 3.6294 3.7694 3.7741 4.0311 4.0318 7.5457 7.5488 8.1000 8.1008 8.8546 8.8600 9.5403 9.5429 k =-0.0606 0.0794 0.8246 ( 4584 PWs) bands (ev): -7.7387 -7.7384 -7.7033 -7.7033 -7.4826 -7.4825 -7.4492 -7.4484 -3.5506 -3.5338 -3.5299 -3.4930 -2.9540 -2.9310 -2.8996 -2.8630 -2.8411 -2.8273 -0.8804 -0.8765 -0.6106 -0.6078 0.0520 0.0563 1.2938 1.2976 1.7897 1.7933 1.9989 2.0048 2.7626 2.7740 2.8895 2.8985 3.1836 3.1881 3.6241 3.6263 3.7596 3.7652 4.0189 4.0198 7.5628 7.5667 8.1152 8.1162 8.9017 8.9076 9.5452 9.5486 k =-0.0727 0.0953 0.8246 ( 4588 PWs) bands (ev): -7.7379 -7.7376 -7.7042 -7.7041 -7.4833 -7.4831 -7.4503 -7.4494 -3.5542 -3.5365 -3.5311 -3.4919 -2.9610 -2.9333 -2.9006 -2.8614 -2.8437 -2.8281 -0.8502 -0.8452 -0.5932 -0.5898 0.0479 0.0529 1.2954 1.2999 1.7908 1.7951 2.0001 2.0072 2.7345 2.7480 2.8747 2.8852 3.1787 3.1840 3.6197 3.6225 3.7483 3.7547 4.0046 4.0055 7.5835 7.5881 8.1331 8.1345 8.9567 8.9627 9.5461 9.5504 k =-0.0848 0.1112 0.8246 ( 4590 PWs) bands (ev): -7.7372 -7.7368 -7.7053 -7.7052 -7.4838 -7.4837 -7.4514 -7.4504 -3.5583 -3.5402 -3.5310 -3.4914 -2.9685 -2.9361 -2.9010 -2.8607 -2.8461 -2.8293 -0.8152 -0.8092 -0.5730 -0.5690 0.0429 0.0488 1.2975 1.3026 1.7922 1.7972 2.0015 2.0097 2.7027 2.7181 2.8583 2.8701 3.1731 3.1790 3.6143 3.6180 3.7359 3.7430 3.9883 3.9892 7.6075 7.6129 8.1535 8.1552 9.0180 9.0236 9.5390 9.5444 k =-0.0969 0.1271 0.8246 ( 4586 PWs) bands (ev): -7.7366 -7.7362 -7.7067 -7.7065 -7.4842 -7.4841 -7.4523 -7.4513 -3.5629 -3.5438 -3.5308 -3.4913 -2.9764 -2.9393 -2.9010 -2.8610 -2.8480 -2.8308 -0.7760 -0.7689 -0.5500 -0.5453 0.0372 0.0438 1.2998 1.3057 1.7938 1.7995 2.0030 2.0123 2.6678 2.6849 2.8406 2.8537 3.1668 3.1732 3.6081 3.6127 3.7226 3.7302 3.9702 3.9711 7.6348 7.6409 8.1759 8.1780 9.0831 9.0879 9.5192 9.5257 k =-0.1090 0.1430 0.8246 ( 4586 PWs) bands (ev): -7.7363 -7.7359 -7.7085 -7.7083 -7.4844 -7.4843 -7.4530 -7.4519 -3.5678 -3.5470 -3.5308 -3.4918 -2.9844 -2.9428 -2.9008 -2.8621 -2.8495 -2.8326 -0.7330 -0.7247 -0.5245 -0.5190 0.0307 0.0380 1.3026 1.3091 1.7958 1.8022 2.0046 2.0149 2.6303 2.6491 2.8221 2.8362 3.1598 3.1667 3.6010 3.6067 3.7086 3.7167 3.9508 3.9515 7.6650 7.6717 8.1999 8.2023 9.1491 9.1533 9.4820 9.4891 k =-0.1211 0.1588 0.8246 ( 4590 PWs) bands (ev): -7.7365 -7.7360 -7.7107 -7.7105 -7.4842 -7.4841 -7.4533 -7.4522 -3.5727 -3.5501 -3.5311 -3.4927 -2.9922 -2.9465 -2.9006 -2.8638 -2.8506 -2.8347 -0.6870 -0.6773 -0.4966 -0.4902 0.0234 0.0313 1.3057 1.3128 1.7981 1.8051 2.0061 2.0174 2.5910 2.6112 2.8031 2.8182 3.1522 3.1594 3.5931 3.5999 3.6941 3.7027 3.9301 3.9306 7.6978 7.7052 8.2249 8.2278 9.2118 9.2167 9.4266 9.4333 k =-0.1332 0.1747 0.8246 ( 4594 PWs) bands (ev): -7.7372 -7.7367 -7.7134 -7.7131 -7.4837 -7.4835 -7.4531 -7.4520 -3.5776 -3.5530 -3.5316 -3.4938 -2.9996 -2.9504 -2.9005 -2.8659 -2.8514 -2.8370 -0.6386 -0.6275 -0.4663 -0.4588 0.0156 0.0238 1.3093 1.3170 1.8007 1.8083 2.0073 2.0196 2.5507 2.5720 2.7840 2.7999 3.1440 3.1516 3.5842 3.5924 3.6793 3.6883 3.9085 3.9089 7.7329 7.7409 8.2505 8.2538 9.2670 9.2735 9.3577 9.3634 k =-0.1453 0.1906 0.8246 ( 4590 PWs) bands (ev): -7.7385 -7.7379 -7.7166 -7.7162 -7.4826 -7.4823 -7.4524 -7.4513 -3.5822 -3.5558 -3.5324 -3.4952 -3.0066 -2.9545 -2.9005 -2.8682 -2.8523 -2.8393 -0.5889 -0.5764 -0.4339 -0.4249 0.0077 0.0159 1.3134 1.3216 1.8035 1.8118 2.0083 2.0215 2.5100 2.5322 2.7652 2.7819 3.1353 3.1432 3.5745 3.5839 3.6645 3.6738 3.8861 3.8868 7.7701 7.7786 8.2760 8.2798 9.2746 9.2799 9.3141 9.3263 k =-0.1453 0.1906 0.8246 ( 4590 PWs) bands (ev): -7.7385 -7.7379 -7.7166 -7.7162 -7.4826 -7.4823 -7.4524 -7.4513 -3.5822 -3.5558 -3.5324 -3.4952 -3.0066 -2.9545 -2.9005 -2.8682 -2.8523 -2.8393 -0.5889 -0.5764 -0.4339 -0.4249 0.0077 0.0159 1.3134 1.3216 1.8035 1.8118 2.0083 2.0215 2.5100 2.5322 2.7652 2.7819 3.1353 3.1432 3.5745 3.5839 3.6645 3.6738 3.8861 3.8868 7.7701 7.7786 8.2760 8.2798 9.2746 9.2799 9.3141 9.3263 k =-0.1538 0.2017 0.8107 ( 4590 PWs) bands (ev): -7.7468 -7.7459 -7.7121 -7.7115 -7.4848 -7.4842 -7.4486 -7.4475 -3.5852 -3.5592 -3.5333 -3.4948 -3.0124 -2.9558 -2.9017 -2.8704 -2.8520 -2.8400 -0.5639 -0.5492 -0.4021 -0.3921 0.0061 0.0155 1.3169 1.3260 1.8015 1.8111 2.0068 2.0234 2.4804 2.5041 2.7510 2.7685 3.1345 3.1432 3.5581 3.5626 3.6475 3.6526 3.8862 3.8871 7.8003 7.8093 8.2931 8.2977 9.2343 9.2376 9.3204 9.3315 k =-0.1622 0.2128 0.7968 ( 4594 PWs) bands (ev): -7.7559 -7.7548 -7.7080 -7.7075 -7.4891 -7.4882 -7.4413 -7.4402 -3.5883 -3.5625 -3.5342 -3.4942 -3.0179 -2.9568 -2.9033 -2.8724 -2.8519 -2.8405 -0.5426 -0.5265 -0.3660 -0.3553 0.0086 0.0187 1.3218 1.3317 1.7921 1.8031 2.0118 2.0303 2.4495 2.4744 2.7384 2.7561 3.1288 3.1385 3.5342 3.5348 3.6329 3.6372 3.8876 3.8887 7.8366 7.8459 8.3118 8.3172 9.1877 9.1892 9.2537 9.2642 k =-0.1707 0.2238 0.7829 ( 4601 PWs) bands (ev): -7.7649 -7.7638 -7.7050 -7.7045 -7.4943 -7.4933 -7.4318 -7.4309 -3.5913 -3.5658 -3.5352 -3.4936 -3.0233 -2.9576 -2.9051 -2.8742 -2.8520 -2.8406 -0.5254 -0.5086 -0.3256 -0.3144 0.0151 0.0257 1.3279 1.3386 1.7779 1.7897 2.0203 2.0393 2.4182 2.4439 2.7267 2.7442 3.1185 3.1293 3.5007 3.5046 3.6211 3.6277 3.8902 3.8914 7.8784 7.8881 8.3317 8.3379 9.1308 9.1398 9.1885 9.1942 k =-0.1791 0.2349 0.7689 ( 4605 PWs) bands (ev): -7.7737 -7.7725 -7.7032 -7.7026 -7.4998 -7.4988 -7.4211 -7.4202 -3.5943 -3.5689 -3.5364 -3.4927 -3.0283 -2.9580 -2.9073 -2.8757 -2.8524 -2.8404 -0.5120 -0.4952 -0.2814 -0.2702 0.0256 0.0363 1.3349 1.3466 1.7613 1.7734 2.0293 2.0480 2.3873 2.4136 2.7155 2.7323 3.1044 3.1163 3.4632 3.4692 3.6132 3.6215 3.8938 3.8952 7.9251 7.9351 8.3522 8.3593 9.0619 9.0800 9.1319 9.1381 k =-0.1876 0.2460 0.7550 ( 4607 PWs) bands (ev): -7.7822 -7.7810 -7.7023 -7.7017 -7.5054 -7.5043 -7.4096 -7.4086 -3.5971 -3.5718 -3.5378 -3.4918 -3.0330 -2.9581 -2.9098 -2.8770 -2.8530 -2.8399 -0.5022 -0.4855 -0.2344 -0.2231 0.0397 0.0502 1.3428 1.3553 1.7439 1.7559 2.0361 2.0539 2.3577 2.3844 2.7044 2.7201 3.0875 3.1006 3.4231 3.4303 3.6085 3.6177 3.8980 3.8997 7.9760 7.9863 8.3728 8.3807 8.9864 9.0083 9.0863 9.0943 k =-0.1960 0.2571 0.7411 ( 4607 PWs) bands (ev): -7.7903 -7.7891 -7.7023 -7.7016 -7.5108 -7.5097 -7.3978 -7.3967 -3.5998 -3.5745 -3.5393 -3.4908 -3.0373 -2.9580 -2.9126 -2.8780 -2.8537 -2.8392 -0.4952 -0.4790 -0.1854 -0.1739 0.0572 0.0670 1.3511 1.3645 1.7269 1.7386 2.0390 2.0556 2.3302 2.3570 2.6929 2.7073 3.0693 3.0835 3.3812 3.3890 3.6062 3.6159 3.9026 3.9047 8.0303 8.0407 8.3927 8.4013 8.9099 8.9333 9.0478 9.0562 k =-0.2044 0.2681 0.7271 ( 4607 PWs) bands (ev): -7.7980 -7.7968 -7.7030 -7.7021 -7.5161 -7.5150 -7.3858 -7.3845 -3.6024 -3.5770 -3.5410 -3.4898 -3.0412 -2.9575 -2.9156 -2.8790 -2.8544 -2.8384 -0.4906 -0.4749 -0.1351 -0.1232 0.0775 0.0863 1.3597 1.3738 1.7112 1.7223 2.0365 2.0518 2.3050 2.3315 2.6809 2.6939 3.0510 3.0663 3.3383 3.3462 3.6057 3.6156 3.9075 3.9101 8.0871 8.0974 8.4109 8.4201 8.8357 8.8598 9.0136 9.0222 k =-0.2129 0.2792 0.7132 ( 4609 PWs) bands (ev): -7.8052 -7.8041 -7.7041 -7.7032 -7.5211 -7.5200 -7.3739 -7.3725 -3.6048 -3.5792 -3.5427 -3.4888 -3.0447 -2.9569 -2.9188 -2.8798 -2.8551 -2.8376 -0.4879 -0.4724 -0.0845 -0.0718 0.1002 0.1075 1.3681 1.3828 1.6977 1.7079 2.0282 2.0424 2.2821 2.3077 2.6683 2.6800 3.0341 3.0504 3.2949 3.3026 3.6065 3.6166 3.9125 3.9157 8.1449 8.1549 8.4265 8.4356 8.7665 8.7909 8.9832 8.9920 k =-0.2213 0.2903 0.6993 ( 4605 PWs) bands (ev): -7.8120 -7.8109 -7.7057 -7.7046 -7.5258 -7.5247 -7.3624 -7.3607 -3.6070 -3.5813 -3.5445 -3.4878 -3.0478 -2.9560 -2.9221 -2.8807 -2.8557 -2.8368 -0.4865 -0.4712 -0.0343 -0.0203 0.1249 0.1306 1.3760 1.3911 1.6870 1.6960 2.0146 2.0276 2.2603 2.2845 2.6553 2.6664 3.0194 3.0367 3.2516 3.2589 3.6083 3.6184 3.9174 3.9212 8.2022 8.2118 8.4373 8.4456 8.7058 8.7298 8.9563 8.9656 k =-0.2298 0.3014 0.6854 ( 4599 PWs) bands (ev): -7.8183 -7.8171 -7.7075 -7.7063 -7.5302 -7.5291 -7.3512 -7.3494 -3.6089 -3.5832 -3.5462 -3.4869 -3.0504 -2.9550 -2.9253 -2.8815 -2.8562 -2.8360 -0.4862 -0.4708 0.0141 0.0302 0.1509 0.1557 1.3828 1.3981 1.6798 1.6869 1.9967 2.0087 2.2382 2.2607 2.6424 2.6538 3.0077 3.0258 3.2089 3.2155 3.6106 3.6209 3.9221 3.9265 8.2566 8.2655 8.4403 8.4459 8.6592 8.6815 8.9329 8.9429 k =-0.2382 0.3124 0.6714 ( 4605 PWs) bands (ev): -7.8240 -7.8229 -7.7095 -7.7083 -7.5343 -7.5332 -7.3407 -7.3386 -3.6107 -3.5849 -3.5479 -3.4862 -3.0527 -2.9540 -2.9284 -2.8824 -2.8566 -2.8354 -0.4865 -0.4707 0.0596 0.0784 0.1775 0.1840 1.3884 1.4034 1.6763 1.6811 1.9760 1.9872 2.2144 2.2351 2.6302 2.6428 2.9990 3.0179 3.1674 3.1731 3.6133 3.6236 3.9264 3.9315 8.3043 8.3126 8.4304 8.4336 8.6334 8.6524 8.9132 8.9241 k =-0.2467 0.3235 0.6575 ( 4603 PWs) bands (ev): -7.8293 -7.8282 -7.7116 -7.7102 -7.5380 -7.5370 -7.3308 -7.3286 -3.6121 -3.5865 -3.5495 -3.4855 -3.0544 -2.9532 -2.9312 -2.8833 -2.8569 -2.8348 -0.4871 -0.4707 0.1004 0.1223 0.2059 0.2157 1.3923 1.4067 1.6767 1.6785 1.9542 1.9645 2.1880 2.2073 2.6194 2.6337 2.9930 3.0128 3.1278 3.1324 3.6161 3.6265 3.9302 3.9360 8.3383 8.3457 8.4083 8.4153 8.6302 8.6460 8.8974 8.9093 k =-0.2551 0.3346 0.6436 ( 4603 PWs) bands (ev): -7.8339 -7.8329 -7.7137 -7.7123 -7.5413 -7.5404 -7.3217 -7.3194 -3.6134 -3.5879 -3.5509 -3.4851 -3.0558 -2.9528 -2.9333 -2.8843 -2.8571 -2.8345 -0.4878 -0.4706 0.1354 0.1591 0.2378 0.2503 1.3948 1.4082 1.6779 1.6810 1.9328 1.9423 2.1590 2.1774 2.6103 2.6264 2.9887 3.0096 3.0908 3.0948 3.6189 3.6293 3.9334 3.9399 8.3378 8.3443 8.4035 8.4103 8.6439 8.6578 8.8858 8.8988 k =-0.2636 0.3457 0.6297 ( 4605 PWs) bands (ev): -7.8380 -7.8370 -7.7157 -7.7143 -7.5443 -7.5434 -7.3135 -7.3110 -3.6144 -3.5891 -3.5521 -3.4848 -3.0567 -2.9533 -2.9343 -2.8853 -2.8572 -2.8343 -0.4883 -0.4702 0.1640 0.1876 0.2734 0.2868 1.3959 1.4082 1.6791 1.6872 1.9134 1.9226 2.1281 2.1461 2.6028 2.6206 2.9841 3.0062 3.0581 3.0629 3.6215 3.6319 3.9358 3.9431 8.3053 8.3150 8.4155 8.4228 8.6664 8.6798 8.8791 8.8929 k =-0.2720 0.3567 0.6157 ( 4616 PWs) bands (ev): -7.8415 -7.8405 -7.7177 -7.7162 -7.5469 -7.5460 -7.3062 -7.3037 -3.6151 -3.5902 -3.5531 -3.4847 -3.0572 -2.9549 -2.9342 -2.8863 -2.8572 -2.8343 -0.4886 -0.4695 0.1868 0.2088 0.3106 0.3235 1.3963 1.4073 1.6797 1.6937 1.8979 1.9076 2.0965 2.1147 2.5963 2.6160 2.9751 2.9955 3.0370 3.0410 3.6240 3.6343 3.9374 3.9454 8.2688 8.2800 8.4256 8.4337 8.6908 8.7040 8.8782 8.8923 k =-0.2804 0.3678 0.6018 ( 4622 PWs) bands (ev): -7.8444 -7.8434 -7.7196 -7.7181 -7.5490 -7.5482 -7.3000 -7.2973 -3.6156 -3.5912 -3.5538 -3.4848 -3.0574 -2.9574 -2.9330 -2.8873 -2.8571 -2.8345 -0.4884 -0.4682 0.2042 0.2244 0.3463 0.3584 1.3964 1.4061 1.6775 1.6974 1.8887 1.8996 2.0660 2.0846 2.5903 2.6118 2.9580 2.9726 3.0312 3.0338 3.6262 3.6364 3.9380 3.9468 8.2350 8.2467 8.4315 8.4401 8.7118 8.7247 8.8831 8.8967 k =-0.2889 0.3789 0.5879 ( 4612 PWs) bands (ev): -7.8467 -7.8457 -7.7212 -7.7197 -7.5508 -7.5500 -7.2948 -7.2920 -3.6159 -3.5921 -3.5542 -3.4851 -3.0571 -2.9604 -2.9310 -2.8883 -2.8571 -2.8348 -0.4878 -0.4664 0.2170 0.2352 0.3783 0.3896 1.3971 1.4054 1.6706 1.6953 1.8882 1.9002 2.0384 2.0575 2.5842 2.6076 2.9359 2.9471 3.0323 3.0375 3.6281 3.6381 3.9375 3.9471 8.2059 8.2175 8.4343 8.4433 8.7274 8.7394 8.8923 8.9048 k =-0.2973 0.3900 0.5740 ( 4608 PWs) bands (ev): -7.8484 -7.8474 -7.7228 -7.7212 -7.5521 -7.5513 -7.2907 -7.2879 -3.6160 -3.5928 -3.5543 -3.4857 -3.0564 -2.9637 -2.9285 -2.8892 -2.8570 -2.8355 -0.4866 -0.4640 0.2251 0.2418 0.4049 0.4157 1.3990 1.4058 1.6583 1.6859 1.8964 1.9090 2.0161 2.0354 2.5775 2.6028 2.9131 2.9237 3.0385 3.0450 3.6296 3.6394 3.9360 3.9463 8.1824 8.1935 8.4352 8.4446 8.7379 8.7488 8.9026 8.9141 k =-0.3058 0.4010 0.5600 ( 4606 PWs) bands (ev): -7.8494 -7.8485 -7.7241 -7.7226 -7.5530 -7.5523 -7.2877 -7.2849 -3.6159 -3.5933 -3.5540 -3.4864 -3.0554 -2.9673 -2.9258 -2.8900 -2.8569 -2.8363 -0.4847 -0.4610 0.2289 0.2442 0.4249 0.4354 1.4026 1.4079 1.6416 1.6703 1.9093 1.9237 2.0025 2.0213 2.5699 2.5969 2.8920 2.9036 3.0480 3.0548 3.6309 3.6404 3.9333 3.9442 8.1650 8.1755 8.4351 8.4448 8.7451 8.7550 8.9110 8.9217 k =-0.3142 0.4121 0.5461 ( 4604 PWs) bands (ev): -7.8498 -7.8489 -7.7252 -7.7237 -7.5535 -7.5528 -7.2858 -7.2830 -3.6156 -3.5936 -3.5535 -3.4874 -3.0540 -2.9708 -2.9229 -2.8907 -2.8568 -2.8373 -0.4822 -0.4574 0.2282 0.2425 0.4373 0.4479 1.4085 1.4122 1.6218 1.6504 1.9190 1.9394 2.0022 2.0213 2.5611 2.5896 2.8738 2.8867 3.0599 3.0666 3.6318 3.6409 3.9293 3.9410 8.1540 8.1636 8.4344 8.4445 8.7504 8.7594 8.9156 8.9259 k =-0.3227 0.4232 0.5322 ( 4604 PWs) bands (ev): -7.8496 -7.8488 -7.7260 -7.7246 -7.5535 -7.5529 -7.2852 -7.2824 -3.6152 -3.5937 -3.5527 -3.4886 -3.0524 -2.9744 -2.9198 -2.8913 -2.8568 -2.8385 -0.4791 -0.4531 0.2232 0.2367 0.4418 0.4527 1.4167 1.4188 1.6006 1.6284 1.9220 1.9482 2.0198 2.0396 2.5510 2.5804 2.8586 2.8730 3.0742 3.0805 3.6324 3.6411 3.9242 3.9364 8.1496 8.1583 8.4336 8.4439 8.7546 8.7626 8.9157 8.9261 k =-0.3227 0.4232 0.5322 ( 4604 PWs) bands (ev): -7.8496 -7.8488 -7.7260 -7.7246 -7.5535 -7.5529 -7.2852 -7.2824 -3.6152 -3.5937 -3.5527 -3.4886 -3.0524 -2.9744 -2.9198 -2.8913 -2.8568 -2.8385 -0.4791 -0.4531 0.2232 0.2367 0.4418 0.4527 1.4167 1.4188 1.6006 1.6284 1.9220 1.9482 2.0198 2.0396 2.5510 2.5804 2.8586 2.8730 3.0742 3.0805 3.6324 3.6411 3.9242 3.9364 8.1496 8.1583 8.4336 8.4439 8.7546 8.7626 8.9157 8.9261 k =-0.3139 0.4118 0.5178 ( 4604 PWs) bands (ev): -7.8594 -7.8587 -7.7117 -7.7101 -7.5595 -7.5591 -7.2823 -7.2794 -3.6169 -3.5926 -3.5491 -3.4868 -3.0507 -2.9742 -2.9184 -2.8865 -2.8573 -2.8368 -0.4790 -0.4550 0.2626 0.2769 0.4091 0.4207 1.3874 1.3894 1.5932 1.6210 1.8987 1.9245 1.9943 2.0138 2.5569 2.5878 2.8586 2.8719 3.0650 3.0747 3.6432 3.6518 3.9380 3.9499 8.2055 8.2141 8.4674 8.4774 8.7935 8.8011 8.9596 8.9713 k =-0.3052 0.4003 0.5034 ( 4608 PWs) bands (ev): -7.8722 -7.8716 -7.6969 -7.6953 -7.5627 -7.5624 -7.2793 -7.2764 -3.6182 -3.5912 -3.5454 -3.4851 -3.0487 -2.9737 -2.9170 -2.8817 -2.8580 -2.8352 -0.4827 -0.4607 0.2874 0.3002 0.3977 0.4071 1.3572 1.3594 1.5882 1.6159 1.8770 1.9022 1.9672 1.9864 2.5639 2.5966 2.8537 2.8685 3.0637 3.0773 3.6500 3.6584 3.9491 3.9607 8.2608 8.2692 8.4978 8.5073 8.8274 8.8347 9.0043 9.0167 k =-0.2965 0.3889 0.4890 ( 4604 PWs) bands (ev): -7.8878 -7.8875 -7.6819 -7.6803 -7.5632 -7.5627 -7.2763 -7.2733 -3.6189 -3.5897 -3.5414 -3.4835 -3.0461 -2.9729 -2.9154 -2.8768 -2.8587 -2.8337 -0.4897 -0.4695 0.2802 0.2893 0.4237 0.4288 1.3266 1.3294 1.5853 1.6126 1.8570 1.8816 1.9393 1.9581 2.5713 2.6059 2.8454 2.8638 3.0703 3.0875 3.6527 3.6608 3.9575 3.9686 8.3138 8.3218 8.5267 8.5359 8.8569 8.8637 9.0475 9.0602 k =-0.2878 0.3774 0.4746 ( 4603 PWs) bands (ev): -7.9060 -7.9059 -7.6667 -7.6649 -7.5611 -7.5604 -7.2733 -7.2702 -3.6190 -3.5879 -3.5373 -3.4820 -3.0431 -2.9718 -2.9136 -2.8720 -2.8594 -2.8324 -0.4993 -0.4809 0.2529 0.2618 0.4681 0.4741 1.2964 1.2997 1.5838 1.6105 1.8388 1.8624 1.9115 1.9298 2.5782 2.6147 2.8364 2.8587 3.0838 3.1037 3.6511 3.6591 3.9632 3.9737 8.3620 8.3692 8.5570 8.5657 8.8827 8.8890 9.0866 9.0991 k =-0.2791 0.3660 0.4603 ( 4605 PWs) bands (ev): -7.9264 -7.9264 -7.6512 -7.6494 -7.5569 -7.5559 -7.2702 -7.2670 -3.6186 -3.5859 -3.5332 -3.4807 -3.0397 -2.9704 -2.9117 -2.8673 -2.8602 -2.8311 -0.5112 -0.4945 0.2205 0.2300 0.5188 0.5260 1.2671 1.2710 1.5830 1.6088 1.8224 1.8442 1.8852 1.9024 2.5842 2.6222 2.8289 2.8546 3.1026 3.1246 3.6452 3.6531 3.9662 3.9762 8.4019 8.4079 8.5921 8.6001 8.9059 8.9115 9.1191 9.1310 k =-0.2703 0.3546 0.4459 ( 4601 PWs) bands (ev): -7.9486 -7.9485 -7.6356 -7.6338 -7.5508 -7.5496 -7.2670 -7.2639 -3.6176 -3.5837 -3.5289 -3.4795 -3.0359 -2.9688 -2.9095 -2.8630 -2.8608 -2.8300 -0.5249 -0.5097 0.1875 0.1975 0.5712 0.5791 1.2396 1.2441 1.5821 1.6063 1.8077 1.8262 1.8616 1.8773 2.5894 2.6282 2.8245 2.8526 3.1256 3.1488 3.6351 3.6429 3.9666 3.9762 8.4308 8.4351 8.6348 8.6418 8.9273 8.9322 9.1427 9.1539 k =-0.2616 0.3431 0.4315 ( 4603 PWs) bands (ev): -7.9722 -7.9719 -7.6199 -7.6180 -7.5433 -7.5419 -7.2639 -7.2607 -3.6160 -3.5812 -3.5246 -3.4785 -3.0318 -2.9670 -2.9073 -2.8623 -2.8580 -2.8290 -0.5400 -0.5261 0.1551 0.1656 0.6230 0.6313 1.2146 1.2201 1.5800 1.6021 1.7942 1.8080 1.8415 1.8562 2.5941 2.6330 2.8235 2.8528 3.1516 3.1757 3.6209 3.6288 3.9648 3.9739 8.4479 8.4506 8.6849 8.6912 8.9475 8.9514 9.1555 9.1656 k =-0.2529 0.3317 0.4171 ( 4607 PWs) bands (ev): -7.9967 -7.9963 -7.6041 -7.6021 -7.5345 -7.5330 -7.2607 -7.2575 -3.6138 -3.5785 -3.5204 -3.4776 -3.0273 -2.9649 -2.9048 -2.8632 -2.8539 -2.8281 -0.5560 -0.5434 0.1237 0.1346 0.6723 0.6809 1.1936 1.2002 1.5756 1.5948 1.7810 1.7904 1.8248 1.8405 2.5996 2.6375 2.8256 2.8550 3.1798 3.2044 3.6027 3.6109 3.9610 3.9697 8.4543 8.4561 8.7407 8.7465 8.9667 8.9698 9.1557 9.1646 k =-0.2442 0.3203 0.4027 ( 4607 PWs) bands (ev): -8.0218 -8.0214 -7.5883 -7.5863 -7.5249 -7.5232 -7.2576 -7.2543 -3.6112 -3.5756 -3.5162 -3.4770 -3.0226 -2.9627 -2.9023 -2.8642 -2.8499 -2.8274 -0.5727 -0.5611 0.0937 0.1048 0.7171 0.7260 1.1778 1.1859 1.5681 1.5840 1.7671 1.7754 1.8115 1.8302 2.6068 2.6431 2.8298 2.8584 3.2095 3.2341 3.5811 3.5898 3.9555 3.9640 8.4516 8.4535 8.7998 8.8054 8.9851 8.9873 9.1418 9.1493 k =-0.2355 0.3088 0.3883 ( 4607 PWs) bands (ev): -8.0473 -8.0469 -7.5725 -7.5705 -7.5146 -7.5127 -7.2544 -7.2512 -3.6080 -3.5724 -3.5121 -3.4764 -3.0175 -2.9603 -2.8998 -2.8652 -2.8460 -2.8268 -0.5898 -0.5791 0.0651 0.0763 0.7553 0.7646 1.1694 1.1793 1.5572 1.5695 1.7529 1.7631 1.8022 1.8237 2.6171 2.6514 2.8348 2.8622 3.2398 3.2639 3.5567 3.5662 3.9488 3.9573 8.4413 8.4435 8.8608 8.8662 9.0024 9.0037 9.1129 9.1192 k =-0.2267 0.2974 0.3740 ( 4605 PWs) bands (ev): -8.0731 -8.0726 -7.5568 -7.5547 -7.5037 -7.5018 -7.2513 -7.2480 -3.6043 -3.5691 -3.5081 -3.4761 -3.0122 -2.9577 -2.8972 -2.8663 -2.8424 -2.8264 -0.6071 -0.5970 0.0379 0.0492 0.7847 0.7945 1.1702 1.1822 1.5428 1.5520 1.7398 1.7522 1.7964 1.8200 2.6314 2.6634 2.8396 2.8654 3.2695 3.2922 3.5310 3.5417 3.9413 3.9502 8.4238 8.4265 8.9222 8.9273 9.0168 9.0177 9.0701 9.0757 k =-0.2180 0.2859 0.3596 ( 4605 PWs) bands (ev): -8.0988 -8.0983 -7.5412 -7.5391 -7.4926 -7.4905 -7.2482 -7.2449 -3.6002 -3.5655 -3.5043 -3.4759 -3.0065 -2.9549 -2.8946 -2.8674 -2.8391 -2.8262 -0.6242 -0.6145 0.0123 0.0236 0.8042 0.8146 1.1814 1.1954 1.5256 1.5326 1.7278 1.7419 1.7932 1.8182 2.6506 2.6800 2.8431 2.8671 3.2962 3.3160 3.5063 3.5194 3.9335 3.9433 8.3995 8.4023 8.9749 8.9837 9.0047 9.0148 9.0396 9.0432 k =-0.2093 0.2745 0.3452 ( 4603 PWs) bands (ev): -8.1244 -8.1239 -7.5258 -7.5237 -7.4811 -7.4790 -7.2451 -7.2419 -3.5957 -3.5619 -3.5007 -3.4758 -3.0007 -2.9519 -2.8920 -2.8685 -2.8360 -2.8261 -0.6412 -0.6316 -0.0118 -0.0006 0.8142 0.8250 1.2023 1.2181 1.5067 1.5123 1.7165 1.7318 1.7921 1.8181 2.6748 2.7017 2.8446 2.8666 3.3156 3.3296 3.4874 3.5051 3.9260 3.9370 8.3679 8.3709 8.9257 8.9364 9.0357 9.0431 9.0559 9.0620 k =-0.2006 0.2631 0.3308 ( 4609 PWs) bands (ev): -8.1497 -8.1492 -7.5106 -7.5085 -7.4696 -7.4674 -7.2421 -7.2389 -3.5909 -3.5581 -3.4973 -3.4759 -2.9946 -2.9488 -2.8896 -2.8696 -2.8331 -2.8262 -0.6577 -0.6481 -0.0345 -0.0233 0.8168 0.8276 1.2305 1.2481 1.4875 1.4923 1.7054 1.7212 1.7926 1.8191 2.7040 2.7282 2.8436 2.8633 3.3198 3.3272 3.4814 3.5061 3.9194 3.9320 8.3289 8.3320 8.8440 8.8554 9.0446 9.0504 9.1107 9.1182 k =-0.1919 0.2516 0.3164 ( 4607 PWs) bands (ev): -8.1745 -8.1740 -7.4956 -7.4935 -7.4581 -7.4558 -7.2391 -7.2360 -3.5858 -3.5543 -3.4942 -3.4760 -2.9882 -2.9455 -2.8873 -2.8707 -2.8306 -2.8264 -0.6736 -0.6638 -0.0556 -0.0446 0.8145 0.8251 1.2623 1.2820 1.4699 1.4736 1.6940 1.7099 1.7946 1.8214 2.7376 2.7586 2.8400 2.8568 3.3042 3.3103 3.4926 3.5230 3.9142 3.9287 8.2823 8.2853 8.7537 8.7662 9.0409 9.0484 9.1692 9.1769 k =-0.1831 0.2402 0.3020 ( 4609 PWs) bands (ev): -8.1989 -8.1984 -7.4809 -7.4788 -7.4466 -7.4443 -7.2362 -7.2331 -3.5805 -3.5504 -3.4913 -3.4763 -2.9817 -2.9420 -2.8851 -2.8718 -2.8284 -2.8268 -0.6889 -0.6786 -0.0753 -0.0645 0.8094 0.8198 1.2929 1.3158 1.4566 1.4581 1.6824 1.6977 1.7980 1.8246 2.7741 2.7898 2.8351 2.8472 3.2762 3.2840 3.5164 3.5499 3.9108 3.9274 8.2279 8.2307 8.6580 8.6717 9.0277 9.0372 9.2262 9.2338 k =-0.1744 0.2288 0.2877 ( 4627 PWs) bands (ev): -8.2226 -8.2221 -7.4666 -7.4645 -7.4353 -7.4330 -7.2334 -7.2303 -3.5750 -3.5466 -3.4888 -3.4767 -2.9750 -2.9383 -2.8831 -2.8728 -2.8277 -2.8261 -0.7033 -0.6926 -0.0936 -0.0830 0.8033 0.8134 1.3164 1.3433 1.4497 1.4524 1.6705 1.6849 1.8028 1.8288 2.8030 2.8144 2.8307 2.8462 3.2453 3.2539 3.5465 3.5818 3.9096 3.9285 8.1658 8.1685 8.5593 8.5740 9.0050 9.0162 9.2804 9.2877 k =-0.1657 0.2173 0.2733 ( 4627 PWs) bands (ev): -8.2456 -8.2451 -7.4526 -7.4506 -7.4241 -7.4218 -7.2307 -7.2277 -3.5694 -3.5428 -3.4865 -3.4771 -2.9681 -2.9345 -2.8812 -2.8737 -2.8285 -2.8245 -0.7169 -0.7056 -0.1105 -0.1001 0.7975 0.8072 1.3268 1.3560 1.4554 1.4613 1.6593 1.6723 1.8087 1.8339 2.7951 2.8137 2.8489 2.8726 3.2181 3.2264 3.5795 3.6161 3.9108 3.9320 8.0965 8.0990 8.4594 8.4747 8.9735 8.9860 9.3311 9.3375 k =-0.1570 0.2059 0.2589 ( 4629 PWs) bands (ev): -8.2678 -8.2674 -7.4391 -7.4371 -7.4133 -7.4110 -7.2280 -7.2251 -3.5638 -3.5390 -3.4845 -3.4775 -2.9611 -2.9305 -2.8796 -2.8745 -2.8294 -2.8231 -0.7296 -0.7177 -0.1261 -0.1160 0.7929 0.8022 1.3247 1.3531 1.4735 1.4814 1.6499 1.6612 1.8156 1.8396 2.7775 2.7930 2.8756 2.8965 3.2018 3.2089 3.6137 3.6512 3.9145 3.9381 8.0207 8.0229 8.3595 8.3754 8.9348 8.9482 9.3772 9.3824 k =-0.1483 0.1944 0.2445 ( 4625 PWs) bands (ev): -8.2892 -8.2887 -7.4260 -7.4241 -7.4028 -7.4006 -7.2254 -7.2226 -3.5582 -3.5354 -3.4829 -3.4780 -2.9541 -2.9264 -2.8782 -2.8751 -2.8305 -2.8220 -0.7413 -0.7289 -0.1405 -0.1307 0.7900 0.7990 1.3156 1.3425 1.4931 1.5038 1.6450 1.6541 1.8232 1.8459 2.7557 2.7692 2.8867 2.9060 3.2041 3.2094 3.6481 3.6864 3.9208 3.9465 7.9391 7.9411 8.2608 8.2770 8.8905 8.9042 9.4185 9.4223 k =-0.1395 0.1830 0.2301 ( 4623 PWs) bands (ev): -8.3096 -8.3092 -7.4135 -7.4115 -7.3927 -7.3905 -7.2230 -7.2202 -3.5526 -3.5320 -3.4815 -3.4785 -2.9470 -2.9222 -2.8775 -2.8751 -2.8318 -2.8211 -0.7520 -0.7392 -0.1537 -0.1442 0.7893 0.7979 1.3039 1.3297 1.5059 1.5195 1.6477 1.6548 1.8313 1.8525 2.7309 2.7429 2.8789 2.8971 3.2277 3.2324 3.6821 3.7209 3.9295 3.9572 7.8529 7.8545 8.1642 8.1805 8.8420 8.8557 9.4552 9.4581 k =-0.1308 0.1716 0.2157 ( 4615 PWs) bands (ev): -8.3291 -8.3287 -7.4014 -7.3996 -7.3830 -7.3808 -7.2206 -7.2180 -3.5472 -3.5287 -3.4805 -3.4790 -2.9400 -2.9180 -2.8775 -2.8743 -2.8332 -2.8206 -0.7617 -0.7485 -0.1658 -0.1566 0.7912 0.7995 1.2917 1.3167 1.5080 1.5235 1.6597 1.6657 1.8394 1.8590 2.7041 2.7151 2.8559 2.8732 3.2689 3.2740 3.7153 3.7543 3.9405 3.9697 7.7631 7.7645 8.0704 8.0866 8.7907 8.8039 9.4880 9.4909 k =-0.1221 0.1601 0.2014 ( 4619 PWs) bands (ev): -8.3476 -8.3472 -7.3900 -7.3882 -7.3737 -7.3717 -7.2183 -7.2158 -3.5419 -3.5256 -3.4797 -3.4795 -2.9331 -2.9138 -2.8779 -2.8730 -2.8347 -2.8202 -0.7705 -0.7571 -0.1768 -0.1680 0.7959 0.8038 1.2800 1.3043 1.5010 1.5170 1.6781 1.6842 1.8473 1.8651 2.6761 2.6865 2.8242 2.8408 3.3219 3.3274 3.7474 3.7863 3.9536 3.9839 7.6708 7.6720 7.9801 7.9961 8.7375 8.7501 9.5178 9.5211 k =-0.1134 0.1487 0.1870 ( 4621 PWs) bands (ev): -8.3649 -8.3646 -7.3792 -7.3775 -7.3650 -7.3630 -7.2162 -7.2138 -3.5369 -3.5227 -3.4800 -3.4792 -2.9263 -2.9098 -2.8782 -2.8716 -2.8362 -2.8201 -0.7783 -0.7648 -0.1869 -0.1785 0.8035 0.8110 1.2693 1.2929 1.4881 1.5041 1.6989 1.7055 1.8545 1.8704 2.6481 2.6581 2.7886 2.8045 3.3820 3.3876 3.7781 3.8163 3.9685 3.9992 7.5773 7.5783 7.8938 7.9094 8.6835 8.6954 9.5453 9.5489 k =-0.1046 0.1373 0.1726 ( 4615 PWs) bands (ev): -8.3812 -8.3808 -7.3690 -7.3674 -7.3567 -7.3549 -7.2142 -7.2120 -3.5321 -3.5200 -3.4804 -3.4789 -2.9199 -2.9059 -2.8784 -2.8701 -2.8378 -2.8202 -0.7852 -0.7717 -0.1960 -0.1880 0.8141 0.8213 1.2598 1.2827 1.4719 1.4876 1.7187 1.7262 1.8607 1.8746 2.6212 2.6309 2.7520 2.7672 3.4458 3.4515 3.8074 3.8443 3.9848 4.0154 7.4835 7.4845 7.8121 7.8271 8.6297 8.6407 9.5707 9.5745 k =-0.0959 0.1258 0.1582 ( 4609 PWs) bands (ev): -8.3962 -8.3959 -7.3595 -7.3580 -7.3490 -7.3473 -7.2124 -7.2102 -3.5275 -3.5175 -3.4808 -3.4789 -2.9137 -2.9024 -2.8786 -2.8684 -2.8393 -2.8205 -0.7912 -0.7780 -0.2042 -0.1968 0.8276 0.8345 1.2517 1.2738 1.4536 1.4691 1.7355 1.7442 1.8658 1.8777 2.5962 2.6058 2.7163 2.7307 3.5114 3.5171 3.8349 3.8699 4.0024 4.0319 7.3908 7.3917 7.7353 7.7496 8.5768 8.5869 9.5939 9.5977 k =-0.0872 0.1144 0.1438 ( 4629 PWs) bands (ev): -8.4101 -8.4098 -7.3507 -7.3494 -7.3419 -7.3403 -7.2106 -7.2087 -3.5233 -3.5152 -3.4812 -3.4791 -2.9079 -2.8993 -2.8787 -2.8667 -2.8408 -2.8210 -0.7964 -0.7836 -0.2116 -0.2047 0.8441 0.8507 1.2450 1.2661 1.4339 1.4492 1.7481 1.7581 1.8697 1.8797 2.5743 2.5836 2.6825 2.6959 3.5772 3.5827 3.8607 3.8931 4.0206 4.0485 7.3002 7.3012 7.6638 7.6773 8.5258 8.5349 9.6150 9.6186 k =-0.0785 0.1029 0.1294 ( 4627 PWs) bands (ev): -8.4228 -8.4225 -7.3426 -7.3414 -7.3354 -7.3339 -7.2091 -7.2073 -3.5194 -3.5131 -3.4816 -3.4794 -2.9025 -2.8966 -2.8787 -2.8648 -2.8419 -2.8215 -0.8008 -0.7886 -0.2183 -0.2118 0.8634 0.8697 1.2397 1.2596 1.4132 1.4283 1.7556 1.7671 1.8726 1.8810 2.5560 2.5650 2.6513 2.6637 3.6417 3.6472 3.8845 3.9139 4.0390 4.0647 7.2128 7.2139 7.5981 7.6106 8.4773 8.4855 9.6339 9.6372 k =-0.0698 0.0915 0.1151 ( 4623 PWs) bands (ev): -8.4342 -8.4339 -7.3354 -7.3343 -7.3295 -7.3282 -7.2076 -7.2060 -3.5159 -3.5111 -3.4820 -3.4799 -2.8976 -2.8942 -2.8787 -2.8632 -2.8426 -2.8221 -0.8044 -0.7930 -0.2241 -0.2183 0.8853 0.8914 1.2357 1.2542 1.3916 1.4064 1.7577 1.7705 1.8748 1.8823 2.5416 2.5501 2.6231 2.6345 3.7038 3.7092 3.9065 3.9323 4.0571 4.0801 7.1300 7.1311 7.5384 7.5499 8.4321 8.4393 9.6506 9.6535 k =-0.0610 0.0801 0.1007 ( 4637 PWs) bands (ev): -8.4443 -8.4441 -7.3289 -7.3280 -7.3243 -7.3231 -7.2063 -7.2049 -3.5127 -3.5093 -3.4825 -3.4804 -2.8935 -2.8921 -2.8786 -2.8621 -2.8427 -2.8228 -0.8074 -0.7969 -0.2292 -0.2240 0.9095 0.9154 1.2329 1.2498 1.3691 1.3837 1.7549 1.7685 1.8767 1.8838 2.5311 2.5390 2.5984 2.6086 3.7621 3.7675 3.9266 3.9487 4.0744 4.0945 7.0527 7.0538 7.4851 7.4954 8.3908 8.3970 9.6651 9.6675 k =-0.0523 0.0686 0.0863 ( 4637 PWs) bands (ev): -8.4531 -8.4529 -7.3232 -7.3226 -7.3196 -7.3186 -7.2052 -7.2039 -3.5100 -3.5076 -3.4829 -3.4810 -2.8908 -2.8893 -2.8784 -2.8617 -2.8419 -2.8236 -0.8097 -0.8004 -0.2335 -0.2289 0.9356 0.9413 1.2313 1.2462 1.3460 1.3600 1.7482 1.7618 1.8787 1.8854 2.5240 2.5312 2.5772 2.5862 3.8155 3.8208 3.9450 3.9630 4.0904 4.1075 6.9823 6.9834 7.4384 7.4474 8.3538 8.3591 9.6774 9.6792 k =-0.0436 0.0572 0.0719 ( 4637 PWs) bands (ev): -8.4606 -8.4604 -7.3184 -7.3180 -7.3156 -7.3148 -7.2042 -7.2031 -3.5078 -3.5060 -3.4833 -3.4816 -2.8893 -2.8865 -2.8779 -2.8620 -2.8404 -2.8244 -0.8114 -0.8034 -0.2371 -0.2332 0.9630 0.9686 1.2305 1.2433 1.3222 1.3355 1.7394 1.7521 1.8807 1.8868 2.5196 2.5260 2.5597 2.5673 3.8623 3.8677 3.9619 3.9757 4.1049 4.1189 6.9200 6.9210 7.3986 7.4062 8.3218 8.3262 9.6876 9.6888 k =-0.0349 0.0458 0.0575 ( 4639 PWs) bands (ev): -8.4667 -8.4666 -7.3145 -7.3142 -7.3123 -7.3116 -7.2034 -7.2025 -3.5060 -3.5046 -3.4837 -3.4821 -2.8880 -2.8846 -2.8769 -2.8629 -2.8385 -2.8254 -0.8126 -0.8060 -0.2400 -0.2368 0.9910 0.9964 1.2305 1.2410 1.2983 1.3104 1.7299 1.7410 1.8826 1.8878 2.5171 2.5227 2.5460 2.5521 3.9010 3.9065 3.9777 3.9872 4.1173 4.1283 6.8669 6.8678 7.3659 7.3721 8.2952 8.2986 9.6958 9.6963 k =-0.0262 0.0343 0.0431 ( 4643 PWs) bands (ev): -8.4715 -8.4714 -7.3115 -7.3114 -7.3096 -7.3091 -7.2027 -7.2020 -3.5046 -3.5034 -3.4840 -3.4827 -2.8868 -2.8836 -2.8753 -2.8643 -2.8364 -2.8264 -0.8133 -0.8082 -0.2421 -0.2397 1.0183 1.0235 1.2310 1.2390 1.2750 1.2855 1.7213 1.7302 1.8842 1.8883 2.5157 2.5204 2.5362 2.5406 3.9302 3.9357 3.9926 3.9982 4.1276 4.1357 6.8242 6.8249 7.3404 7.3451 8.2741 8.2767 9.7017 9.7018 k =-0.0174 0.0229 0.0288 ( 4647 PWs) bands (ev): -8.4749 -8.4749 -7.3094 -7.3093 -7.3076 -7.3073 -7.2022 -7.2017 -3.5036 -3.5026 -3.4842 -3.4832 -2.8858 -2.8835 -2.8734 -2.8658 -2.8343 -2.8276 -0.8135 -0.8100 -0.2435 -0.2419 1.0431 1.0476 1.2320 1.2373 1.2543 1.2623 1.7148 1.7210 1.8855 1.8884 2.5147 2.5181 2.5304 2.5330 3.9497 3.9543 4.0059 4.0084 4.1355 4.1408 6.7930 6.7935 7.3224 7.3255 8.2590 8.2608 9.7053 9.7056 k =-0.0087 0.0114 0.0144 ( 4643 PWs) bands (ev): -8.4770 -8.4769 -7.3082 -7.3081 -7.3064 -7.3062 -7.2018 -7.2016 -3.5028 -3.5023 -3.4841 -3.4836 -2.8850 -2.8837 -2.8714 -2.8676 -2.8323 -2.8290 -0.8132 -0.8115 -0.2442 -0.2434 1.0622 1.0650 1.2333 1.2354 1.2398 1.2439 1.7112 1.7144 1.8866 1.8880 2.5140 2.5158 2.5279 2.5289 3.9608 3.9635 4.0153 4.0162 4.1408 4.1434 6.7740 6.7742 7.3118 7.3134 8.2501 8.2510 9.7072 9.7074 k = 0.0000 0.0000 0.0000 ( 4643 PWs) bands (ev): -8.4776 -8.4776 -7.3077 -7.3077 -7.3059 -7.3059 -7.2016 -7.2016 -3.5023 -3.5023 -3.4840 -3.4840 -2.8842 -2.8842 -2.8694 -2.8694 -2.8305 -2.8305 -0.8125 -0.8125 -0.2441 -0.2441 1.0706 1.0706 1.2344 1.2344 1.2354 1.2354 1.7110 1.7110 1.8874 1.8874 2.5142 2.5142 2.5275 2.5275 3.9653 3.9653 4.0190 4.0190 4.1435 4.1435 6.7676 6.7676 7.3088 7.3088 8.2474 8.2474 9.7078 9.7078 k = 0.0000 0.0000 0.0000 ( 4643 PWs) bands (ev): -8.4776 -8.4776 -7.3077 -7.3077 -7.3059 -7.3059 -7.2016 -7.2016 -3.5023 -3.5023 -3.4840 -3.4840 -2.8842 -2.8842 -2.8694 -2.8694 -2.8305 -2.8305 -0.8125 -0.8125 -0.2441 -0.2441 1.0706 1.0706 1.2344 1.2344 1.2354 1.2354 1.7110 1.7110 1.8874 1.8874 2.5142 2.5142 2.5275 2.5275 3.9653 3.9653 4.0190 4.0190 4.1435 4.1435 6.7676 6.7676 7.3088 7.3088 8.2474 8.2474 9.7078 9.7078 k = 0.0161 0.0123 0.0000 ( 4647 PWs) bands (ev): -8.4769 -8.4769 -7.3078 -7.3078 -7.3059 -7.3059 -7.2026 -7.2026 -3.5028 -3.5028 -3.4839 -3.4839 -2.8854 -2.8854 -2.8688 -2.8688 -2.8306 -2.8306 -0.8115 -0.8115 -0.2459 -0.2459 1.0740 1.0740 1.2354 1.2354 1.2365 1.2365 1.7028 1.7028 1.8965 1.8965 2.5151 2.5151 2.5284 2.5284 3.9638 3.9638 4.0176 4.0176 4.1389 4.1389 6.7729 6.7729 7.3117 7.3117 8.2480 8.2480 9.6970 9.6970 k = 0.0323 0.0246 0.0000 ( 4647 PWs) bands (ev): -8.4748 -8.4748 -7.3079 -7.3079 -7.3060 -7.3060 -7.2054 -7.2054 -3.5041 -3.5041 -3.4837 -3.4837 -2.8883 -2.8883 -2.8673 -2.8673 -2.8308 -2.8308 -0.8083 -0.8083 -0.2509 -0.2509 1.0840 1.0840 1.2384 1.2384 1.2398 1.2398 1.6821 1.6821 1.9198 1.9198 2.5176 2.5176 2.5310 2.5310 3.9596 3.9596 4.0135 4.0135 4.1252 4.1252 6.7886 6.7886 7.3204 7.3204 8.2497 8.2497 9.6655 9.6655 k = 0.0484 0.0369 0.0000 ( 4647 PWs) bands (ev): -8.4713 -8.4713 -7.3080 -7.3080 -7.3061 -7.3061 -7.2102 -7.2102 -3.5062 -3.5062 -3.4835 -3.4835 -2.8924 -2.8924 -2.8657 -2.8657 -2.8311 -2.8311 -0.8032 -0.8032 -0.2590 -0.2590 1.1005 1.1005 1.2436 1.2436 1.2453 1.2453 1.6547 1.6547 1.9515 1.9515 2.5219 2.5219 2.5354 2.5354 3.9524 3.9524 4.0068 4.0068 4.1029 4.1029 6.8143 6.8143 7.3350 7.3350 8.2526 8.2526 9.6157 9.6157 k = 0.0645 0.0492 0.0000 ( 4663 PWs) bands (ev): -8.4663 -8.4663 -7.3082 -7.3082 -7.3063 -7.3063 -7.2168 -7.2168 -3.5090 -3.5090 -3.4834 -3.4834 -2.8971 -2.8971 -2.8643 -2.8643 -2.8316 -2.8316 -0.7963 -0.7963 -0.2696 -0.2696 1.1229 1.1229 1.2508 1.2508 1.2530 1.2530 1.6244 1.6244 1.9877 1.9877 2.5277 2.5277 2.5414 2.5414 3.9423 3.9423 3.9974 3.9974 4.0729 4.0729 6.8491 6.8491 7.3553 7.3553 8.2566 8.2566 9.5504 9.5504 k = 0.0806 0.0615 0.0000 ( 4663 PWs) bands (ev): -8.4600 -8.4600 -7.3084 -7.3084 -7.3066 -7.3066 -7.2252 -7.2252 -3.5123 -3.5123 -3.4834 -3.4834 -2.9023 -2.9023 -2.8633 -2.8633 -2.8322 -2.8322 -0.7879 -0.7879 -0.2821 -0.2821 1.1508 1.1508 1.2600 1.2600 1.2627 1.2627 1.5932 1.5932 2.0265 2.0265 2.5351 2.5351 2.5490 2.5490 3.9289 3.9289 3.9856 3.9856 4.0364 4.0364 6.8923 6.8923 7.3815 7.3815 8.2616 8.2616 9.4729 9.4729 k = 0.0968 0.0738 0.0000 ( 4627 PWs) bands (ev): -8.4523 -8.4523 -7.3086 -7.3086 -7.3069 -7.3069 -7.2354 -7.2354 -3.5159 -3.5159 -3.4836 -3.4836 -2.9078 -2.9078 -2.8627 -2.8627 -2.8329 -2.8329 -0.7784 -0.7784 -0.2957 -0.2957 1.1835 1.1835 1.2712 1.2712 1.2744 1.2744 1.5621 1.5621 2.0669 2.0669 2.5441 2.5441 2.5582 2.5582 3.9116 3.9116 3.9713 3.9713 3.9950 3.9950 6.9426 6.9426 7.4134 7.4134 8.2675 8.2675 9.3859 9.3859 k = 0.1129 0.0861 0.0000 ( 4627 PWs) bands (ev): -8.4432 -8.4432 -7.3090 -7.3090 -7.3072 -7.3072 -7.2474 -7.2474 -3.5200 -3.5200 -3.4842 -3.4842 -2.9136 -2.9136 -2.8625 -2.8625 -2.8338 -2.8338 -0.7684 -0.7684 -0.3095 -0.3095 1.2203 1.2203 1.2843 1.2843 1.2882 1.2882 1.5315 1.5315 2.1083 2.1083 2.5545 2.5545 2.5689 2.5689 3.8881 3.8881 3.9521 3.9521 3.9549 3.9549 6.9991 6.9991 7.4511 7.4511 8.2743 8.2743 9.2917 9.2917 k = 0.1290 0.0984 0.0000 ( 4619 PWs) bands (ev): -8.4327 -8.4327 -7.3093 -7.3093 -7.3076 -7.3076 -7.2612 -7.2612 -3.5243 -3.5243 -3.4849 -3.4849 -2.9196 -2.9196 -2.8627 -2.8627 -2.8349 -2.8349 -0.7584 -0.7584 -0.3225 -0.3225 1.2603 1.2603 1.2993 1.2994 1.3041 1.3041 1.5017 1.5017 2.1505 2.1505 2.5662 2.5662 2.5809 2.5809 3.8533 3.8533 3.9141 3.9141 3.9363 3.9363 7.0605 7.0605 7.4944 7.4944 8.2819 8.2819 9.1923 9.1923 k = 0.1452 0.1107 0.0000 ( 4651 PWs) bands (ev): -8.4209 -8.4209 -7.3097 -7.3097 -7.3081 -7.3081 -7.2765 -7.2765 -3.5289 -3.5289 -3.4860 -3.4860 -2.9257 -2.9257 -2.8634 -2.8634 -2.8361 -2.8361 -0.7493 -0.7493 -0.3338 -0.3338 1.3013 1.3013 1.3163 1.3163 1.3233 1.3233 1.4732 1.4732 2.1930 2.1930 2.5791 2.5791 2.5941 2.5941 3.8054 3.8054 3.8838 3.8838 3.9159 3.9159 7.1259 7.1259 7.5431 7.5431 8.2900 8.2900 9.0892 9.0892 k = 0.1613 0.1230 0.0000 ( 4631 PWs) bands (ev): -8.4078 -8.4078 -7.3101 -7.3101 -7.3087 -7.3087 -7.2934 -7.2934 -3.5337 -3.5337 -3.4872 -3.4872 -2.9317 -2.9317 -2.8643 -2.8643 -2.8375 -2.8375 -0.7418 -0.7418 -0.3424 -0.3424 1.3318 1.3318 1.3362 1.3362 1.3554 1.3554 1.4462 1.4462 2.2358 2.2358 2.5930 2.5930 2.6083 2.6083 3.7491 3.7491 3.8576 3.8576 3.8939 3.8939 7.1942 7.1942 7.5969 7.5969 8.2986 8.2986 8.9839 8.9839 k = 0.1774 0.1353 0.0000 ( 4631 PWs) bands (ev): -8.3934 -8.3934 -7.3138 -7.3138 -7.3104 -7.3104 -7.3075 -7.3075 -3.5386 -3.5386 -3.4887 -3.4887 -2.9378 -2.9378 -2.8655 -2.8655 -2.8392 -2.8392 -0.7366 -0.7366 -0.3472 -0.3472 1.3518 1.3518 1.3576 1.3576 1.4003 1.4003 1.4217 1.4217 2.2785 2.2785 2.6078 2.6078 2.6235 2.6235 3.6886 3.6886 3.8324 3.8324 3.8705 3.8705 7.2647 7.2647 7.6555 7.6555 8.3075 8.3075 8.8774 8.8774 k = 0.1935 0.1476 0.0000 ( 4624 PWs) bands (ev): -8.3777 -8.3777 -7.3328 -7.3328 -7.3110 -7.3110 -7.3090 -7.3090 -3.5436 -3.5436 -3.4903 -3.4903 -2.9437 -2.9437 -2.8669 -2.8669 -2.8410 -2.8410 -0.7346 -0.7346 -0.3475 -0.3475 1.3682 1.3682 1.3794 1.3794 1.4017 1.4017 1.4492 1.4492 2.3210 2.3210 2.6234 2.6234 2.6393 2.6393 3.6260 3.6260 3.8070 3.8070 3.8459 3.8459 7.3368 7.3368 7.7181 7.7181 8.3166 8.3166 8.7707 8.7707 k = 0.2097 0.1599 0.0000 ( 4624 PWs) bands (ev): -8.3607 -8.3607 -7.3542 -7.3542 -7.3115 -7.3115 -7.3096 -7.3096 -3.5486 -3.5486 -3.4922 -3.4922 -2.9495 -2.9495 -2.8684 -2.8684 -2.8429 -2.8429 -0.7359 -0.7359 -0.3430 -0.3430 1.3634 1.3634 1.4016 1.4016 1.4071 1.4071 1.4981 1.4981 2.3631 2.3631 2.6394 2.6394 2.6555 2.6555 3.5625 3.5625 3.7814 3.7814 3.8205 3.8205 7.4098 7.4098 7.7841 7.7841 8.3258 8.3258 8.6647 8.6647 k = 0.2258 0.1722 0.0000 ( 4612 PWs) bands (ev): -8.3426 -8.3426 -7.3771 -7.3771 -7.3120 -7.3120 -7.3102 -7.3102 -3.5536 -3.5536 -3.4941 -3.4941 -2.9552 -2.9552 -2.8701 -2.8701 -2.8451 -2.8451 -0.7405 -0.7405 -0.3338 -0.3338 1.3448 1.3448 1.4246 1.4246 1.4290 1.4290 1.5473 1.5473 2.4046 2.4046 2.6556 2.6556 2.6720 2.6720 3.4990 3.4990 3.7556 3.7556 3.7946 3.7946 7.4835 7.4835 7.8523 7.8523 8.3352 8.3352 8.5601 8.5601 k = 0.2419 0.1845 0.0000 ( 4612 PWs) bands (ev): -8.3232 -8.3232 -7.4012 -7.4012 -7.3125 -7.3125 -7.3107 -7.3107 -3.5586 -3.5586 -3.4962 -3.4962 -2.9606 -2.9606 -2.8719 -2.8719 -2.8474 -2.8474 -0.7481 -0.7481 -0.3203 -0.3203 1.3255 1.3255 1.4490 1.4490 1.4537 1.4537 1.5961 1.5961 2.4453 2.4453 2.6718 2.6718 2.6885 2.6885 3.4363 3.4363 3.7297 3.7297 3.7685 3.7685 7.5574 7.5574 7.9214 7.9214 8.3448 8.3448 8.4578 8.4578 k = 0.2581 0.1968 0.0000 ( 4604 PWs) bands (ev): -8.3027 -8.3027 -7.4265 -7.4265 -7.3130 -7.3130 -7.3113 -7.3113 -3.5635 -3.5635 -3.4984 -3.4984 -2.9658 -2.9658 -2.8737 -2.8737 -2.8499 -2.8499 -0.7581 -0.7581 -0.3032 -0.3032 1.3075 1.3075 1.4744 1.4744 1.4794 1.4794 1.6438 1.6438 2.4851 2.4851 2.6878 2.6878 2.7045 2.7045 3.3750 3.3750 3.7041 3.7041 3.7426 3.7426 7.6314 7.6314 7.9897 7.9897 8.3495 8.3495 8.3624 8.3624 k = 0.2742 0.2091 0.0000 ( 4612 PWs) bands (ev): -8.2810 -8.2810 -7.4529 -7.4529 -7.3135 -7.3135 -7.3118 -7.3118 -3.5682 -3.5682 -3.5006 -3.5006 -2.9708 -2.9708 -2.8755 -2.8754 -2.8524 -2.8524 -0.7698 -0.7698 -0.2833 -0.2833 1.2909 1.2909 1.5004 1.5004 1.5057 1.5057 1.6900 1.6900 2.5237 2.5237 2.7031 2.7031 2.7200 2.7200 3.3156 3.3156 3.6790 3.6790 3.7172 3.7172 7.7049 7.7049 8.0549 8.0549 8.2608 8.2608 8.2741 8.2741 k = 0.2903 0.2214 0.0000 ( 4612 PWs) bands (ev): -8.2583 -8.2583 -7.4804 -7.4804 -7.3140 -7.3140 -7.3123 -7.3123 -3.5728 -3.5728 -3.5028 -3.5028 -2.9754 -2.9754 -2.8772 -2.8772 -2.8551 -2.8551 -0.7825 -0.7825 -0.2614 -0.2614 1.2760 1.2760 1.5268 1.5268 1.5323 1.5323 1.7341 1.7341 2.5609 2.5609 2.7176 2.7176 2.7345 2.7345 3.2589 3.2589 3.6549 3.6549 3.6927 3.6927 7.7776 7.7776 8.1135 8.1135 8.1689 8.1689 8.1820 8.1820 k = 0.3065 0.2337 0.0000 ( 4588 PWs) bands (ev): -8.2345 -8.2345 -7.5087 -7.5087 -7.3145 -7.3145 -7.3128 -7.3128 -3.5771 -3.5771 -3.5050 -3.5050 -2.9797 -2.9797 -2.8788 -2.8788 -2.8577 -2.8577 -0.7957 -0.7957 -0.2384 -0.2384 1.2628 1.2628 1.5534 1.5534 1.5590 1.5590 1.7757 1.7757 2.5965 2.5965 2.7310 2.7310 2.7477 2.7477 3.2052 3.2052 3.6320 3.6320 3.6694 3.6694 7.8483 7.8483 8.0807 8.0807 8.0930 8.0930 8.1645 8.1645 k = 0.3226 0.2460 0.0000 ( 4564 PWs) bands (ev): -8.2098 -8.2098 -7.5379 -7.5379 -7.3149 -7.3149 -7.3133 -7.3133 -3.5812 -3.5812 -3.5071 -3.5071 -2.9838 -2.9838 -2.8803 -2.8803 -2.8604 -2.8604 -0.8090 -0.8090 -0.2148 -0.2148 1.2512 1.2512 1.5798 1.5798 1.5855 1.5855 1.8141 1.8141 2.6303 2.6303 2.7430 2.7430 2.7595 2.7595 3.1552 3.1552 3.6107 3.6107 3.6477 3.6477 7.9144 7.9144 8.0001 8.0001 8.0098 8.0098 8.2017 8.2017 k = 0.3387 0.2583 0.0000 ( 4568 PWs) bands (ev): -8.1840 -8.1840 -7.5678 -7.5678 -7.3154 -7.3154 -7.3138 -7.3138 -3.5851 -3.5851 -3.5092 -3.5092 -2.9875 -2.9875 -2.8817 -2.8817 -2.8631 -2.8631 -0.8220 -0.8220 -0.1912 -0.1912 1.2413 1.2413 1.6058 1.6058 1.6114 1.6114 1.8491 1.8491 2.6622 2.6622 2.7533 2.7533 2.7696 2.7696 3.1093 3.1093 3.5912 3.5912 3.6278 3.6278 7.9129 7.9129 7.9316 7.9316 7.9883 7.9883 8.2277 8.2277 k = 0.3548 0.2706 0.0000 ( 4560 PWs) bands (ev): -8.1574 -8.1574 -7.5984 -7.5984 -7.3158 -7.3158 -7.3142 -7.3142 -3.5886 -3.5886 -3.5112 -3.5112 -2.9908 -2.9908 -2.8829 -2.8829 -2.8658 -2.8658 -0.8343 -0.8343 -0.1684 -0.1684 1.2329 1.2329 1.6310 1.6310 1.6365 1.6365 1.8802 1.8802 2.6917 2.6917 2.7620 2.7620 2.7778 2.7778 3.0678 3.0678 3.5737 3.5737 3.6100 3.6100 7.8438 7.8438 7.8592 7.8592 8.0428 8.0428 8.2464 8.2464 k = 0.3710 0.2829 0.0000 ( 4556 PWs) bands (ev): -8.1300 -8.1300 -7.6295 -7.6295 -7.3162 -7.3162 -7.3146 -7.3146 -3.5919 -3.5919 -3.5130 -3.5130 -2.9938 -2.9938 -2.8840 -2.8840 -2.8683 -2.8683 -0.8459 -0.8459 -0.1466 -0.1466 1.2261 1.2261 1.6551 1.6551 1.6604 1.6604 1.9072 1.9072 2.7189 2.7189 2.7688 2.7688 2.7841 2.7841 3.0311 3.0311 3.5585 3.5585 3.5944 3.5944 7.7785 7.7785 7.7930 7.7930 8.0892 8.0892 8.2619 8.2619 k = 0.3871 0.2951 0.0000 ( 4572 PWs) bands (ev): -8.1017 -8.1017 -7.6611 -7.6611 -7.3165 -7.3165 -7.3150 -7.3150 -3.5948 -3.5948 -3.5148 -3.5148 -2.9965 -2.9965 -2.8848 -2.8848 -2.8708 -2.8708 -0.8563 -0.8563 -0.1264 -0.1264 1.2207 1.2207 1.6777 1.6777 1.6827 1.6827 1.9300 1.9300 2.7434 2.7434 2.7739 2.7739 2.7886 2.7886 2.9993 2.9993 3.5455 3.5455 3.5811 3.5811 7.7194 7.7194 7.7334 7.7334 8.1217 8.1217 8.2756 8.2756 k = 0.4032 0.3074 0.0000 ( 4580 PWs) bands (ev): -8.0727 -8.0727 -7.6930 -7.6930 -7.3168 -7.3168 -7.3153 -7.3153 -3.5973 -3.5973 -3.5163 -3.5163 -2.9988 -2.9988 -2.8855 -2.8855 -2.8732 -2.8732 -0.8657 -0.8657 -0.1080 -0.1080 1.2165 1.2165 1.6984 1.6984 1.7030 1.7030 1.9487 1.9487 2.7648 2.7648 2.7775 2.7775 2.7917 2.7917 2.9724 2.9724 3.5348 3.5348 3.5701 3.5701 7.6673 7.6673 7.6809 7.6809 8.1403 8.1403 8.2823 8.2823 k = 0.4194 0.3197 0.0000 ( 4580 PWs) bands (ev): -8.0431 -8.0431 -7.7252 -7.7252 -7.3171 -7.3171 -7.3156 -7.3156 -3.5995 -3.5995 -3.5176 -3.5176 -3.0008 -3.0008 -2.8858 -2.8858 -2.8754 -2.8754 -0.8737 -0.8737 -0.0920 -0.0920 1.2134 1.2134 1.7169 1.7169 1.7210 1.7210 1.9635 1.9635 2.7793 2.7793 2.7826 2.7826 2.7946 2.7946 2.9503 2.9503 3.5262 3.5262 3.5613 3.5613 7.6224 7.6224 7.6357 7.6357 8.1486 8.1486 8.2766 8.2766 k = 0.4355 0.3320 0.0000 ( 4584 PWs) bands (ev): -8.0128 -8.0128 -7.7576 -7.7576 -7.3173 -7.3173 -7.3158 -7.3158 -3.6013 -3.6013 -3.5187 -3.5187 -3.0024 -3.0024 -2.8860 -2.8860 -2.8774 -2.8774 -0.8804 -0.8804 -0.0784 -0.0784 1.2112 1.2112 1.7327 1.7327 1.7363 1.7363 1.9747 1.9747 2.7807 2.7807 2.7899 2.7899 2.8031 2.8031 2.9328 2.9328 3.5196 3.5196 3.5545 3.5545 7.5853 7.5853 7.5983 7.5983 8.1511 8.1511 8.2619 8.2619 k = 0.4516 0.3443 0.0000 ( 4584 PWs) bands (ev): -7.9820 -7.9820 -7.7900 -7.7900 -7.3175 -7.3175 -7.3160 -7.3160 -3.6027 -3.6027 -3.5196 -3.5196 -3.0036 -3.0036 -2.8859 -2.8859 -2.8793 -2.8793 -0.8856 -0.8856 -0.0677 -0.0677 1.2098 1.2098 1.7455 1.7455 1.7485 1.7485 1.9827 1.9827 2.7812 2.7812 2.7906 2.7906 2.8146 2.8146 2.9195 2.9195 3.5147 3.5147 3.5495 3.5495 7.5561 7.5561 7.5688 7.5688 8.1509 8.1509 8.2452 8.2452 k = 0.4677 0.3566 0.0000 ( 4588 PWs) bands (ev): -7.9508 -7.9508 -7.8225 -7.8225 -7.3176 -7.3176 -7.3161 -7.3161 -3.6037 -3.6037 -3.5202 -3.5202 -3.0045 -3.0045 -2.8856 -2.8856 -2.8808 -2.8808 -0.8894 -0.8894 -0.0598 -0.0598 1.2089 1.2089 1.7550 1.7550 1.7574 1.7574 1.9880 1.9880 2.7814 2.7814 2.7903 2.7903 2.8236 2.8236 2.9102 2.9102 3.5114 3.5114 3.5460 3.5460 7.5351 7.5351 7.5476 7.5476 8.1498 8.1498 8.2311 8.2311 k = 0.4839 0.3689 0.0000 ( 4592 PWs) bands (ev): -7.9191 -7.9191 -7.8549 -7.8549 -7.3177 -7.3177 -7.3162 -7.3162 -3.6043 -3.6043 -3.5206 -3.5206 -3.0050 -3.0050 -2.8851 -2.8851 -2.8820 -2.8820 -0.8917 -0.8917 -0.0551 -0.0551 1.2084 1.2084 1.7609 1.7609 1.7628 1.7628 1.9910 1.9910 2.7813 2.7813 2.7898 2.7898 2.8292 2.8292 2.9046 2.9046 3.5095 3.5095 3.5441 3.5441 7.5225 7.5225 7.5349 7.5349 8.1487 8.1487 8.2220 8.2220 k = 0.5000 0.3812 0.0000 ( 4592 PWs) bands (ev): -7.8882 -7.8882 -7.8861 -7.8861 -7.3177 -7.3177 -7.3162 -7.3162 -3.6045 -3.6045 -3.5207 -3.5207 -3.0052 -3.0052 -2.8849 -2.8849 -2.8825 -2.8825 -0.8925 -0.8925 -0.0535 -0.0535 1.2082 1.2082 1.7629 1.7629 1.7646 1.7646 1.9920 1.9920 2.7813 2.7813 2.7896 2.7896 2.8311 2.8311 2.9027 2.9027 3.5089 3.5089 3.5434 3.5434 7.5182 7.5182 7.5306 7.5306 8.1483 8.1483 8.2188 8.2188 k = 0.5000 0.3812 0.0000 ( 4592 PWs) bands (ev): -7.8882 -7.8882 -7.8861 -7.8861 -7.3177 -7.3177 -7.3162 -7.3162 -3.6045 -3.6045 -3.5207 -3.5207 -3.0052 -3.0052 -2.8849 -2.8849 -2.8825 -2.8825 -0.8925 -0.8925 -0.0535 -0.0535 1.2082 1.2082 1.7629 1.7629 1.7646 1.7646 1.9920 1.9920 2.7813 2.7813 2.7896 2.7896 2.8311 2.8311 2.9027 2.9027 3.5089 3.5089 3.5434 3.5434 7.5182 7.5182 7.5306 7.5306 8.1483 8.1483 8.2188 8.2188 k = 0.4916 0.3923 0.0139 ( 4596 PWs) bands (ev): -7.8879 -7.8877 -7.8858 -7.8858 -7.3183 -7.3181 -7.3166 -7.3164 -3.6061 -3.6027 -3.5238 -3.5180 -3.0092 -3.0012 -2.8885 -2.8866 -2.8821 -2.8780 -0.8919 -0.8889 -0.0537 -0.0528 1.2038 1.2051 1.7619 1.7628 1.7643 1.7665 1.9910 1.9925 2.7600 2.7728 2.7834 2.7872 2.8312 2.8342 2.9132 2.9244 3.5081 3.5099 3.5432 3.5439 7.5201 7.5208 7.5328 7.5331 8.1507 8.1520 8.2208 8.2212 k = 0.4831 0.4034 0.0279 ( 4592 PWs) bands (ev): -7.8868 -7.8866 -7.8848 -7.8848 -7.3205 -7.3202 -7.3167 -7.3163 -3.6074 -3.6008 -3.5272 -3.5156 -3.0130 -2.9971 -2.8939 -2.8892 -2.8797 -2.8737 -0.8871 -0.8811 -0.0534 -0.0517 1.1921 1.1946 1.7591 1.7604 1.7657 1.7715 1.9893 1.9924 2.7212 2.7368 2.7785 2.7845 2.8312 2.8358 2.9466 2.9622 3.5067 3.5101 3.5442 3.5454 7.5255 7.5274 7.5401 7.5413 8.1590 8.1616 8.2273 8.2280 k = 0.4747 0.4145 0.0418 ( 4584 PWs) bands (ev): -7.8852 -7.8849 -7.8831 -7.8830 -7.3246 -7.3242 -7.3164 -7.3159 -3.6085 -3.5987 -3.5309 -3.5134 -3.0168 -2.9929 -2.8998 -2.8916 -2.8773 -2.8699 -0.8783 -0.8694 -0.0527 -0.0500 1.1738 1.1772 1.7541 1.7560 1.7691 1.7780 1.9874 1.9923 2.6774 2.6936 2.7717 2.7799 2.8298 2.8364 2.9876 3.0049 3.5032 3.5073 3.5482 3.5498 7.5334 7.5366 7.5540 7.5562 8.1728 8.1766 8.2383 8.2393 k = 0.4662 0.4255 0.0557 ( 4586 PWs) bands (ev): -7.8831 -7.8827 -7.8806 -7.8804 -7.3303 -7.3297 -7.3159 -7.3153 -3.6094 -3.5964 -3.5349 -3.5116 -3.0205 -2.9887 -2.9059 -2.8939 -2.8749 -2.8666 -0.8654 -0.8537 -0.0515 -0.0479 1.1495 1.1538 1.7470 1.7496 1.7731 1.7851 1.9857 1.9925 2.6317 2.6479 2.7630 2.7731 2.8277 2.8361 3.0307 3.0489 3.4961 3.5006 3.5563 3.5587 7.5437 7.5479 7.5748 7.5777 8.1912 8.1964 8.2541 8.2554 k = 0.4578 0.4366 0.0696 ( 4598 PWs) bands (ev): -7.8806 -7.8801 -7.8772 -7.8769 -7.3375 -7.3369 -7.3153 -7.3144 -3.6101 -3.5941 -3.5392 -3.5100 -3.0241 -2.9844 -2.9121 -2.8963 -2.8726 -2.8638 -0.8489 -0.8344 -0.0497 -0.0452 1.1202 1.1251 1.7379 1.7412 1.7766 1.7915 1.9849 1.9937 2.5854 2.6014 2.7524 2.7641 2.8252 2.8353 3.0741 3.0931 3.4856 3.4903 3.5682 3.5718 7.5567 7.5617 7.6021 7.6056 8.2133 8.2199 8.2750 8.2767 k = 0.4493 0.4477 0.0836 ( 4598 PWs) bands (ev): -7.8777 -7.8772 -7.8729 -7.8725 -7.3463 -7.3455 -7.3144 -7.3135 -3.6105 -3.5918 -3.5438 -3.5086 -3.0276 -2.9801 -2.9182 -2.8985 -2.8703 -2.8614 -0.8288 -0.8117 -0.0473 -0.0419 1.0867 1.0921 1.7269 1.7309 1.7783 1.7961 1.9855 1.9965 2.5390 2.5546 2.7399 2.7530 2.8225 2.8342 3.1168 3.1366 3.4720 3.4772 3.5835 3.5884 7.5725 7.5782 7.6354 7.6396 8.2378 8.2457 8.3015 8.3036 k = 0.4409 0.4588 0.0975 ( 4598 PWs) bands (ev): -7.8744 -7.8738 -7.8678 -7.8673 -7.3564 -7.3556 -7.3134 -7.3123 -3.6107 -3.5894 -3.5485 -3.5074 -3.0310 -2.9758 -2.9241 -2.9006 -2.8680 -2.8595 -0.8056 -0.7860 -0.0443 -0.0379 1.0499 1.0555 1.7140 1.7188 1.7776 1.7979 1.9883 2.0013 2.4928 2.5079 2.7256 2.7400 2.8199 2.8330 3.1581 3.1789 3.4561 3.4622 3.6018 3.6079 7.5913 7.5976 7.6744 7.6792 8.2635 8.2726 8.3338 8.3361 k = 0.4324 0.4698 0.1114 ( 4602 PWs) bands (ev): -7.8708 -7.8701 -7.8619 -7.8614 -7.3679 -7.3669 -7.3123 -7.3110 -3.6106 -3.5870 -3.5533 -3.5064 -3.0343 -2.9716 -2.9296 -2.9026 -2.8657 -2.8579 -0.7796 -0.7576 -0.0405 -0.0332 1.0103 1.0162 1.6992 1.7048 1.7739 1.7963 1.9933 2.0080 2.4470 2.4616 2.7097 2.7252 2.8175 2.8319 3.1971 3.2191 3.4389 3.4463 3.6225 3.6298 7.6131 7.6200 7.7188 7.7241 8.2901 8.3002 8.3712 8.3736 k = 0.4240 0.4809 0.1253 ( 4608 PWs) bands (ev): -7.8668 -7.8661 -7.8552 -7.8546 -7.3806 -7.3796 -7.3110 -7.3096 -3.6104 -3.5848 -3.5582 -3.5054 -3.0375 -2.9678 -2.9345 -2.9045 -2.8635 -2.8566 -0.7513 -0.7271 -0.0357 -0.0274 0.9686 0.9746 1.6829 1.6891 1.7674 1.7913 2.0005 2.0164 2.4019 2.4159 2.6923 2.7088 2.8155 2.8312 3.2321 3.2556 3.4220 3.4311 3.6452 3.6536 7.6380 7.6453 7.7681 7.7739 8.3175 8.3283 8.4126 8.4149 k = 0.4156 0.4920 0.1393 ( 4612 PWs) bands (ev): -7.8626 -7.8618 -7.8479 -7.8472 -7.3944 -7.3933 -7.3095 -7.3080 -3.6099 -3.5827 -3.5630 -3.5044 -3.0405 -2.9646 -2.9384 -2.9061 -2.8613 -2.8557 -0.7213 -0.6950 -0.0297 -0.0205 0.9253 0.9314 1.6650 1.6719 1.7581 1.7831 2.0090 2.0258 2.3577 2.3711 2.6738 2.6912 2.8142 2.8311 3.2600 3.2847 3.4094 3.4198 3.6695 3.6789 7.6660 7.6736 7.8218 7.8282 8.3457 8.3572 8.4567 8.4588 k = 0.4071 0.5031 0.1532 ( 4616 PWs) bands (ev): -7.8583 -7.8574 -7.8398 -7.8390 -7.4092 -7.4080 -7.3079 -7.3062 -3.6093 -3.5811 -3.5674 -3.5034 -3.0434 -2.9627 -2.9405 -2.9075 -2.8593 -2.8548 -0.6900 -0.6620 -0.0223 -0.0122 0.8808 0.8870 1.6460 1.6534 1.7465 1.7722 2.0180 2.0355 2.3147 2.3274 2.6544 2.6728 2.8138 2.8317 3.2755 3.2984 3.4090 3.4179 3.6949 3.7052 7.6970 7.7050 7.8792 7.8863 8.3748 8.3869 8.5022 8.5041 k = 0.3987 0.5141 0.1671 ( 4616 PWs) bands (ev): -7.8539 -7.8529 -7.8310 -7.8301 -7.4248 -7.4236 -7.3062 -7.3044 -3.6085 -3.5807 -3.5705 -3.5024 -3.0460 -2.9625 -2.9404 -2.9087 -2.8574 -2.8541 -0.6584 -0.6288 -0.0130 -0.0020 0.8355 0.8419 1.6261 1.6338 1.7330 1.7591 2.0264 2.0446 2.2733 2.2852 2.6348 2.6541 2.8144 2.8332 3.2746 3.2920 3.4256 3.4294 3.7210 3.7320 7.7310 7.7392 7.9398 7.9475 8.4051 8.4177 8.5479 8.5497 k = 0.3902 0.5252 0.1811 ( 4620 PWs) bands (ev): -7.8496 -7.8486 -7.8216 -7.8206 -7.4410 -7.4397 -7.3043 -7.3024 -3.6078 -3.5826 -3.5713 -3.5013 -3.0483 -2.9638 -2.9384 -2.9094 -2.8560 -2.8531 -0.6270 -0.5961 -0.0014 0.0103 0.7898 0.7963 1.6054 1.6132 1.7179 1.7444 2.0331 2.0520 2.2339 2.2450 2.6155 2.6358 2.8162 2.8357 3.2604 3.2728 3.4510 3.4523 3.7475 3.7591 7.7679 7.7763 8.0024 8.0108 8.4367 8.4496 8.5930 8.5949 k = 0.3818 0.5363 0.1950 ( 4618 PWs) bands (ev): -7.8456 -7.8445 -7.8115 -7.8105 -7.4575 -7.4562 -7.3023 -7.3002 -3.6070 -3.5859 -3.5703 -3.5000 -3.0503 -2.9658 -2.9354 -2.9098 -2.8553 -2.8515 -0.5968 -0.5650 0.0130 0.0254 0.7438 0.7506 1.5842 1.5919 1.7018 1.7285 2.0366 2.0565 2.1970 2.2075 2.5972 2.6186 2.8192 2.8393 3.2388 3.2479 3.4775 3.4818 3.7738 3.7858 7.8076 7.8162 8.0662 8.0753 8.4699 8.4828 8.6369 8.6391 k = 0.3733 0.5474 0.2089 ( 4618 PWs) bands (ev): -7.8421 -7.8410 -7.8008 -7.7997 -7.4742 -7.4728 -7.3002 -7.2980 -3.6065 -3.5895 -3.5685 -3.4986 -3.0519 -2.9680 -2.9320 -2.9095 -2.8550 -2.8497 -0.5687 -0.5364 0.0309 0.0438 0.6980 0.7051 1.5626 1.5699 1.6850 1.7119 2.0353 2.0569 2.1630 2.1740 2.5808 2.6033 2.8234 2.8439 3.2135 3.2206 3.5051 3.5114 3.7995 3.8119 7.8500 7.8587 8.1297 8.1395 8.5050 8.5178 8.6793 8.6819 k = 0.3649 0.5584 0.2228 ( 4614 PWs) bands (ev): -7.8393 -7.8382 -7.7896 -7.7884 -7.4905 -7.4892 -7.2979 -7.2956 -3.6064 -3.5925 -3.5664 -3.4971 -3.0531 -2.9699 -2.9289 -2.9084 -2.8550 -2.8478 -0.5435 -0.5112 0.0528 0.0659 0.6526 0.6601 1.5404 1.5472 1.6680 1.6951 2.0275 2.0515 2.1324 2.1458 2.5670 2.5906 2.8288 2.8493 3.1866 3.1924 3.5321 3.5395 3.8244 3.8370 7.8950 7.9038 8.1917 8.2020 8.5423 8.5548 8.7200 8.7233 k = 0.3564 0.5695 0.2368 ( 4612 PWs) bands (ev): -7.8377 -7.8365 -7.7778 -7.7766 -7.5062 -7.5050 -7.2955 -7.2931 -3.6071 -3.5946 -3.5641 -3.4955 -3.0539 -2.9716 -2.9262 -2.9065 -2.8552 -2.8458 -0.5219 -0.4901 0.0791 0.0922 0.6077 0.6157 1.5177 1.5236 1.6515 1.6787 2.0129 2.0391 2.1062 2.1228 2.5566 2.5812 2.8351 2.8554 3.1594 3.1645 3.5575 3.5656 3.8479 3.8607 7.9423 7.9511 8.2504 8.2612 8.5823 8.5942 8.7594 8.7636 k = 0.3480 0.5806 0.2507 ( 4608 PWs) bands (ev): -7.8375 -7.8363 -7.7655 -7.7642 -7.5208 -7.5197 -7.2931 -7.2906 -3.6088 -3.5954 -3.5616 -3.4938 -3.0542 -2.9728 -2.9241 -2.9036 -2.8555 -2.8439 -0.5045 -0.4737 0.1098 0.1228 0.5638 0.5723 1.4942 1.4991 1.6360 1.6634 1.9928 2.0200 2.0841 2.1029 2.5498 2.5756 2.8420 2.8616 3.1334 3.1380 3.5806 3.5891 3.8700 3.8828 7.9917 8.0006 8.3046 8.3157 8.6247 8.6357 8.7978 8.8033 k = 0.3396 0.5917 0.2646 ( 4600 PWs) bands (ev): -7.8391 -7.8380 -7.7528 -7.7514 -7.5339 -7.5329 -7.2905 -7.2879 -3.6109 -3.5953 -3.5589 -3.4921 -3.0541 -2.9737 -2.9224 -2.9000 -2.8558 -2.8421 -0.4916 -0.4621 0.1447 0.1576 0.5210 0.5302 1.4696 1.4734 1.6220 1.6496 1.9697 1.9968 2.0637 2.0834 2.5469 2.5738 2.8488 2.8672 3.1096 3.1139 3.6010 3.6097 3.8902 3.9029 8.0430 8.0518 8.3533 8.3643 8.6689 8.6787 8.8361 8.8431 k = 0.3311 0.6027 0.2785 ( 4604 PWs) bands (ev): -7.8431 -7.8421 -7.7396 -7.7382 -7.5449 -7.5441 -7.2879 -7.2852 -3.6131 -3.5947 -3.5559 -3.4903 -3.0535 -2.9743 -2.9211 -2.8958 -2.8563 -2.8403 -0.4831 -0.4554 0.1830 0.1960 0.4800 0.4900 1.4438 1.4466 1.6101 1.6378 1.9457 1.9724 2.0426 2.0626 2.5475 2.5756 2.8548 2.8713 3.0895 3.0941 3.6183 3.6271 3.9083 3.9208 8.0958 8.1045 8.3962 8.4069 8.7129 8.7216 8.8751 8.8838 k = 0.3227 0.6138 0.2925 ( 4604 PWs) bands (ev): -7.8496 -7.8488 -7.7260 -7.7246 -7.5535 -7.5529 -7.2852 -7.2824 -3.6152 -3.5937 -3.5527 -3.4886 -3.0524 -2.9744 -2.9198 -2.8913 -2.8568 -2.8385 -0.4791 -0.4531 0.2232 0.2367 0.4418 0.4527 1.4167 1.4188 1.6006 1.6284 1.9220 1.9482 2.0198 2.0396 2.5510 2.5804 2.8586 2.8730 3.0742 3.0805 3.6324 3.6411 3.9242 3.9364 8.1496 8.1583 8.4336 8.4439 8.7546 8.7626 8.9157 8.9261 k = 0.3227 0.6138 0.2925 ( 4604 PWs) bands (ev): -7.8496 -7.8488 -7.7260 -7.7246 -7.5535 -7.5529 -7.2852 -7.2824 -3.6152 -3.5937 -3.5527 -3.4886 -3.0524 -2.9744 -2.9198 -2.8913 -2.8568 -2.8385 -0.4791 -0.4531 0.2232 0.2367 0.4418 0.4527 1.4167 1.4188 1.6006 1.6284 1.9220 1.9482 2.0198 2.0396 2.5510 2.5804 2.8586 2.8730 3.0742 3.0805 3.6324 3.6411 3.9242 3.9364 8.1496 8.1583 8.4336 8.4439 8.7546 8.7626 8.9157 8.9261 k = 0.3047 0.6085 0.2991 ( 4604 PWs) bands (ev): -7.8556 -7.8548 -7.7183 -7.7168 -7.5556 -7.5552 -7.2840 -7.2811 -3.6160 -3.5933 -3.5509 -3.4877 -3.0515 -2.9744 -2.9190 -2.8891 -2.8570 -2.8377 -0.4792 -0.4543 0.2402 0.2542 0.4285 0.4398 1.3999 1.4019 1.5953 1.6230 1.9135 1.9394 2.0100 2.0293 2.5531 2.5830 2.8590 2.8726 3.0702 3.0778 3.6353 3.6439 3.9323 3.9443 8.1781 8.1868 8.4496 8.4597 8.7686 8.7760 8.9412 8.9520 k = 0.2868 0.6032 0.3058 ( 4604 PWs) bands (ev): -7.8646 -7.8639 -7.7100 -7.7086 -7.5548 -7.5545 -7.2830 -7.2801 -3.6165 -3.5929 -3.5486 -3.4868 -3.0504 -2.9745 -2.9179 -2.8866 -2.8570 -2.8369 -0.4818 -0.4580 0.2527 0.2672 0.4235 0.4352 1.3764 1.3789 1.5869 1.6143 1.9101 1.9353 2.0037 2.0215 2.5553 2.5852 2.8587 2.8716 3.0699 3.0784 3.6328 3.6410 3.9418 3.9533 8.2117 8.2206 8.4647 8.4746 8.7740 8.7805 8.9757 8.9865 k = 0.2689 0.5979 0.3124 ( 4609 PWs) bands (ev): -7.8751 -7.8745 -7.7031 -7.7018 -7.5505 -7.5503 -7.2824 -7.2795 -3.6168 -3.5928 -3.5458 -3.4858 -3.0488 -2.9747 -2.9165 -2.8841 -2.8569 -2.8360 -0.4869 -0.4644 0.2613 0.2761 0.4267 0.4384 1.3473 1.3508 1.5750 1.6017 1.9107 1.9346 2.0018 2.0173 2.5577 2.5874 2.8584 2.8705 3.0725 3.0816 3.6258 3.6334 3.9513 3.9622 8.2501 8.2591 8.4797 8.4892 8.7740 8.7796 9.0159 9.0264 k = 0.2510 0.5926 0.3191 ( 4611 PWs) bands (ev): -7.8862 -7.8856 -7.6986 -7.6975 -7.5428 -7.5426 -7.2821 -7.2792 -3.6168 -3.5928 -3.5426 -3.4849 -3.0470 -2.9752 -2.9147 -2.8815 -2.8567 -2.8352 -0.4943 -0.4733 0.2676 0.2824 0.4362 0.4477 1.3142 1.3187 1.5590 1.5846 1.9137 1.9355 2.0054 2.0181 2.5607 2.5897 2.8584 2.8695 3.0777 3.0868 3.6153 3.6223 3.9596 3.9699 8.2926 8.3018 8.4952 8.5045 8.7713 8.7760 9.0593 9.0696 k = 0.2330 0.5873 0.3258 ( 4608 PWs) bands (ev): -7.8973 -7.8968 -7.6966 -7.6957 -7.5321 -7.5316 -7.2822 -7.2792 -3.6167 -3.5929 -3.5391 -3.4840 -3.0449 -2.9758 -2.9124 -2.8790 -2.8562 -2.8344 -0.5040 -0.4845 0.2737 0.2881 0.4500 0.4608 1.2784 1.2840 1.5389 1.5632 1.9174 1.9365 2.0144 2.0253 2.5644 2.5923 2.8588 2.8690 3.0851 3.0938 3.6020 3.6084 3.9658 3.9755 8.3385 8.3478 8.5122 8.5211 8.7673 8.7714 9.1047 9.1147 k = 0.2151 0.5820 0.3324 ( 4608 PWs) bands (ev): -7.9082 -7.9077 -7.6968 -7.6960 -7.5191 -7.5184 -7.2826 -7.2797 -3.6164 -3.5933 -3.5352 -3.4832 -3.0425 -2.9767 -2.9099 -2.8766 -2.8555 -2.8336 -0.5155 -0.4976 0.2810 0.2948 0.4659 0.4760 1.2415 1.2479 1.5151 1.5379 1.9208 1.9372 2.0280 2.0390 2.5685 2.5951 2.8598 2.8691 3.0944 3.1027 3.5866 3.5923 3.9693 3.9783 8.3864 8.3956 8.5319 8.5402 8.7630 8.7667 9.1515 9.1612 k = 0.1972 0.5767 0.3391 ( 4606 PWs) bands (ev): -7.9185 -7.9180 -7.6984 -7.6978 -7.5046 -7.5036 -7.2836 -7.2806 -3.6159 -3.5937 -3.5311 -3.4824 -3.0398 -2.9778 -2.9070 -2.8744 -2.8546 -2.8329 -0.5284 -0.5121 0.2904 0.3034 0.4827 0.4920 1.2043 1.2113 1.4881 1.5093 1.9236 1.9376 2.0456 2.0578 2.5727 2.5975 2.8613 2.8700 3.1055 3.1133 3.5697 3.5747 3.9697 3.9782 8.4343 8.4427 8.5561 8.5635 8.7591 8.7624 9.1993 9.2087 k = 0.1793 0.5714 0.3457 ( 4611 PWs) bands (ev): -7.9282 -7.9278 -7.7011 -7.7005 -7.4893 -7.4881 -7.2850 -7.2820 -3.6152 -3.5943 -3.5269 -3.4819 -3.0370 -2.9792 -2.9039 -2.8725 -2.8534 -2.8323 -0.5422 -0.5276 0.3020 0.3141 0.4994 0.5078 1.1679 1.1753 1.4589 1.4785 1.9258 1.9377 2.0667 2.0799 2.5764 2.5993 2.8637 2.8722 3.1183 3.1257 3.5516 3.5560 3.9669 3.9748 8.4790 8.4853 8.5873 8.5939 8.7560 8.7593 9.2476 9.2568 k = 0.1613 0.5662 0.3524 ( 4615 PWs) bands (ev): -7.9371 -7.9367 -7.7042 -7.7037 -7.4736 -7.4723 -7.2869 -7.2840 -3.6145 -3.5951 -3.5226 -3.4814 -3.0340 -2.9809 -2.9006 -2.8710 -2.8519 -2.8318 -0.5565 -0.5434 0.3156 0.3269 0.5155 0.5230 1.1329 1.1404 1.4283 1.4464 1.9276 1.9378 2.0902 2.1040 2.5790 2.5997 2.8672 2.8758 3.1325 3.1397 3.5328 3.5365 3.9611 3.9685 8.5171 8.5206 8.6260 8.6336 8.7546 8.7583 9.2960 9.3049 k = 0.1434 0.5609 0.3591 ( 4610 PWs) bands (ev): -7.9452 -7.9449 -7.7076 -7.7072 -7.4581 -7.4566 -7.2893 -7.2864 -3.6136 -3.5959 -3.5183 -3.4812 -3.0308 -2.9827 -2.8972 -2.8699 -2.8501 -2.8314 -0.5706 -0.5591 0.3310 0.3413 0.5304 0.5371 1.0998 1.1074 1.3974 1.4141 1.9291 1.9377 2.1152 2.1291 2.5799 2.5981 2.8724 2.8812 3.1478 3.1550 3.5137 3.5166 3.9526 3.9595 8.5474 8.5495 8.6680 8.6787 8.7577 8.7629 9.3438 9.3526 k = 0.1255 0.5556 0.3657 ( 4608 PWs) bands (ev): -7.9525 -7.9522 -7.7109 -7.7106 -7.4431 -7.4415 -7.2923 -7.2895 -3.6126 -3.5968 -3.5141 -3.4812 -3.0276 -2.9848 -2.8938 -2.8692 -2.8481 -2.8312 -0.5842 -0.5742 0.3475 0.3567 0.5441 0.5499 1.0692 1.0766 1.3672 1.3824 1.9303 1.9375 2.1409 2.1546 2.5785 2.5942 2.8795 2.8883 3.1639 3.1711 3.4946 3.4968 3.9421 3.9484 8.5720 8.5748 8.7006 8.7129 8.7767 8.7827 9.3903 9.3990 k = 0.1076 0.5503 0.3724 ( 4614 PWs) bands (ev): -7.9589 -7.9586 -7.7140 -7.7137 -7.4287 -7.4270 -7.2957 -7.2930 -3.6116 -3.5977 -3.5100 -3.4815 -3.0242 -2.9871 -2.8904 -2.8689 -2.8460 -2.8311 -0.5967 -0.5882 0.3646 0.3727 0.5562 0.5611 1.0415 1.0485 1.3388 1.3524 1.9312 1.9372 2.1666 2.1797 2.5747 2.5880 2.8883 2.8969 3.1803 3.1875 3.4761 3.4776 3.9301 3.9359 8.5935 8.5973 8.7140 8.7236 8.8200 8.8244 9.4344 9.4429 k = 0.0896 0.5450 0.3790 ( 4615 PWs) bands (ev): -7.9643 -7.9641 -7.7168 -7.7166 -7.4153 -7.4136 -7.2996 -7.2970 -3.6105 -3.5988 -3.5060 -3.4821 -3.0208 -2.9895 -2.8872 -2.8689 -2.8439 -2.8312 -0.6078 -0.6008 0.3814 0.3882 0.5666 0.5706 1.0171 1.0234 1.3130 1.3249 1.9318 1.9367 2.1914 2.2035 2.5687 2.5798 2.8985 2.9066 3.1963 3.2034 3.4584 3.4595 3.9176 3.9227 8.6131 8.6175 8.7167 8.7245 8.8714 8.8757 9.4747 9.4830 k = 0.0717 0.5397 0.3857 ( 4612 PWs) bands (ev): -7.9687 -7.9686 -7.7192 -7.7190 -7.4031 -7.4014 -7.3038 -7.3014 -3.6093 -3.5999 -3.5022 -3.4830 -3.0174 -2.9922 -2.8841 -2.8693 -2.8418 -2.8315 -0.6172 -0.6117 0.3971 0.4027 0.5753 0.5784 0.9964 1.0019 1.2909 1.3008 1.9323 1.9361 2.2146 2.2253 2.5612 2.5702 2.9092 2.9163 3.2114 3.2181 3.4422 3.4432 3.9055 3.9098 8.6309 8.6358 8.7155 8.7224 8.9217 8.9261 9.5097 9.5176 k = 0.0538 0.5344 0.3923 ( 4607 PWs) bands (ev): -7.9722 -7.9721 -7.7211 -7.7209 -7.3924 -7.3908 -7.3081 -7.3060 -3.6081 -3.6010 -3.4987 -3.4842 -3.0140 -2.9949 -2.8812 -2.8700 -2.8398 -2.8321 -0.6246 -0.6205 0.4108 0.4151 0.5821 0.5845 0.9799 0.9842 1.2731 1.2808 1.9326 1.9355 2.2351 2.2439 2.5533 2.5603 2.9194 2.9252 3.2247 3.2306 3.4282 3.4295 3.8948 3.8982 8.6467 8.6519 8.7125 8.7189 8.9664 8.9703 9.5378 9.5449 k = 0.0359 0.5291 0.3990 ( 4607 PWs) bands (ev): -7.9747 -7.9747 -7.7225 -7.7224 -7.3837 -7.3824 -7.3119 -7.3103 -3.6069 -3.6021 -3.4955 -3.4858 -3.0106 -2.9979 -2.8785 -2.8711 -2.8380 -2.8328 -0.6299 -0.6271 0.4216 0.4245 0.5871 0.5886 0.9679 0.9709 1.2602 1.2655 1.9330 1.9348 2.2518 2.2581 2.5465 2.5514 2.9280 2.9321 3.2355 3.2400 3.4175 3.4187 3.8865 3.8888 8.6603 8.6653 8.7086 8.7143 9.0019 9.0049 9.5583 9.5637 k = 0.0179 0.5238 0.4057 ( 4609 PWs) bands (ev): -7.9762 -7.9762 -7.7233 -7.7232 -7.3776 -7.3769 -7.3146 -7.3136 -3.6057 -3.6033 -3.4926 -3.4877 -3.0073 -3.0009 -2.8762 -2.8725 -2.8364 -2.8338 -0.6328 -0.6315 0.4288 0.4302 0.5902 0.5910 0.9608 0.9624 1.2529 1.2556 1.9333 1.9342 2.2632 2.2666 2.5421 2.5447 2.9341 2.9362 3.2430 3.2455 3.4109 3.4117 3.8814 3.8826 8.6709 8.6745 8.7052 8.7091 9.0251 9.0267 9.5708 9.5738 k = 0.0000 0.5185 0.4123 ( 4608 PWs) bands (ev): -7.9767 -7.9767 -7.7236 -7.7236 -7.3752 -7.3752 -7.3152 -7.3152 -3.6045 -3.6045 -3.4900 -3.4900 -3.0041 -3.0041 -2.8742 -2.8742 -2.8349 -2.8349 -0.6334 -0.6334 0.4317 0.4317 0.5915 0.5915 0.9590 0.9590 1.2514 1.2514 1.9337 1.9337 2.2684 2.2684 2.5414 2.5414 2.9369 2.9369 3.2465 3.2465 3.4089 3.4089 3.8800 3.8800 8.6767 8.6767 8.7051 8.7051 9.0337 9.0337 9.5759 9.5759 k = 0.0000 0.5185 0.4123 ( 4608 PWs) bands (ev): -7.9767 -7.9767 -7.7236 -7.7236 -7.3752 -7.3752 -7.3152 -7.3152 -3.6045 -3.6045 -3.4900 -3.4900 -3.0041 -3.0041 -2.8742 -2.8742 -2.8349 -2.8349 -0.6334 -0.6334 0.4317 0.4317 0.5915 0.5915 0.9590 0.9590 1.2514 1.2514 1.9337 1.9337 2.2684 2.2684 2.5414 2.5414 2.9369 2.9369 3.2465 3.2465 3.4089 3.4089 3.8800 3.8800 8.6767 8.6767 8.7051 8.7051 9.0337 9.0337 9.5759 9.5759 k = 0.0086 0.5072 0.4265 ( 4616 PWs) bands (ev): -7.9763 -7.9763 -7.7233 -7.7233 -7.3757 -7.3755 -7.3155 -7.3154 -3.6056 -3.6032 -3.4914 -3.4885 -3.0067 -3.0012 -2.8753 -2.8731 -2.8355 -2.8343 -0.6354 -0.6339 0.4220 0.4268 0.5877 0.5884 0.9630 0.9668 1.2545 1.2557 1.9327 1.9339 2.2696 2.2704 2.5414 2.5426 2.9365 2.9405 3.2458 3.2497 3.4088 3.4111 3.8796 3.8801 8.6723 8.6742 8.7029 8.7042 9.0312 9.0333 9.5727 9.5740 k = 0.0172 0.4959 0.4408 ( 4616 PWs) bands (ev): -7.9752 -7.9751 -7.7226 -7.7225 -7.3769 -7.3765 -7.3162 -7.3160 -3.6063 -3.6016 -3.4928 -3.4871 -3.0089 -2.9980 -2.8764 -2.8720 -2.8360 -2.8335 -0.6401 -0.6371 0.3992 0.4080 0.5774 0.5786 0.9778 0.9848 1.2650 1.2674 1.9310 1.9334 2.2740 2.2757 2.5428 2.5449 2.9390 2.9470 3.2476 3.2553 3.4107 3.4153 3.8789 3.8799 8.6605 8.6639 8.6990 8.7014 9.0261 9.0302 9.5646 9.5671 k = 0.0259 0.4846 0.4550 ( 4612 PWs) bands (ev): -7.9732 -7.9731 -7.7214 -7.7212 -7.3788 -7.3783 -7.3173 -7.3171 -3.6067 -3.5997 -3.4942 -3.4856 -3.0109 -2.9946 -2.8775 -2.8710 -2.8363 -2.8327 -0.6471 -0.6427 0.3660 0.3777 0.5609 0.5624 1.0008 1.0100 1.2825 1.2861 1.9290 1.9326 2.2815 2.2840 2.5459 2.5486 2.9442 2.9559 3.2518 3.2632 3.4148 3.4216 3.8780 3.8794 8.6404 8.6449 8.6948 8.6980 9.0185 9.0246 9.5521 9.5555 k = 0.0345 0.4733 0.4692 ( 4614 PWs) bands (ev): -7.9705 -7.9704 -7.7196 -7.7195 -7.3814 -7.3808 -7.3188 -7.3185 -3.6068 -3.5976 -3.4955 -3.4842 -3.0124 -2.9910 -2.8785 -2.8702 -2.8364 -2.8319 -0.6563 -0.6505 0.3254 0.3392 0.5388 0.5404 1.0284 1.0390 1.3062 1.3112 1.9274 1.9323 2.2917 2.2950 2.5511 2.5539 2.9515 2.9666 3.2582 3.2730 3.4212 3.4302 3.8767 3.8787 8.6130 8.6182 8.6903 8.6940 9.0087 9.0165 9.5360 9.5399 k = 0.0431 0.4620 0.4834 ( 4618 PWs) bands (ev): -7.9671 -7.9669 -7.7175 -7.7172 -7.3847 -7.3839 -7.3208 -7.3204 -3.6066 -3.5953 -3.4968 -3.4828 -3.0135 -2.9872 -2.8794 -2.8695 -2.8363 -2.8311 -0.6673 -0.6603 0.2800 0.2951 0.5115 0.5131 1.0576 1.0690 1.3355 1.3419 1.9272 1.9333 2.3044 2.3085 2.5585 2.5612 2.9604 2.9783 3.2663 3.2842 3.4302 3.4413 3.8751 3.8776 8.5801 8.5856 8.6845 8.6887 8.9971 9.0066 9.5171 9.5213 k = 0.0517 0.4507 0.4976 ( 4612 PWs) bands (ev): -7.9628 -7.9626 -7.7148 -7.7145 -7.3888 -7.3878 -7.3231 -7.3227 -3.6060 -3.5929 -3.4980 -3.4815 -3.0143 -2.9832 -2.8802 -2.8690 -2.8361 -2.8303 -0.6797 -0.6717 0.2316 0.2475 0.4796 0.4813 1.0857 1.0978 1.3695 1.3772 1.9295 1.9369 2.3192 2.3243 2.5683 2.5705 2.9701 2.9907 3.2757 3.2961 3.4421 3.4550 3.8732 3.8762 8.5431 8.5488 8.6767 8.6813 8.9842 8.9950 9.4963 9.5008 k = 0.0603 0.4394 0.5118 ( 4606 PWs) bands (ev): -7.9578 -7.9576 -7.7117 -7.7114 -7.3934 -7.3923 -7.3259 -7.3254 -3.6051 -3.5902 -3.4991 -3.4803 -3.0146 -2.9791 -2.8810 -2.8687 -2.8357 -2.8296 -0.6932 -0.6843 0.1815 0.1979 0.4438 0.4455 1.1109 1.1236 1.4073 1.4161 1.9353 1.9440 2.3359 2.3421 2.5802 2.5821 2.9805 3.0033 3.2858 3.3081 3.4571 3.4712 3.8710 3.8745 8.5035 8.5092 8.6662 8.6712 8.9703 8.9820 9.4748 9.4795 k = 0.0690 0.4280 0.5261 ( 4610 PWs) bands (ev): -7.9521 -7.9518 -7.7083 -7.7079 -7.3987 -7.3975 -7.3291 -7.3285 -3.6039 -3.5875 -3.5002 -3.4792 -3.0144 -2.9750 -2.8816 -2.8685 -2.8351 -2.8290 -0.7073 -0.6976 0.1309 0.1474 0.4046 0.4063 1.1315 1.1449 1.4483 1.4579 1.9457 1.9556 2.3544 2.3618 2.5936 2.5960 2.9911 3.0159 3.2962 3.3196 3.4750 3.4899 3.8685 3.8726 8.4626 8.4682 8.6527 8.6579 8.9554 8.9677 9.4536 9.4586 k = 0.0776 0.4167 0.5403 ( 4604 PWs) bands (ev): -7.9457 -7.9454 -7.7045 -7.7041 -7.4046 -7.4032 -7.3327 -7.3320 -3.6023 -3.5846 -3.5012 -3.4782 -3.0138 -2.9708 -2.8821 -2.8686 -2.8344 -2.8284 -0.7216 -0.7113 0.0803 0.0969 0.3626 0.3644 1.1463 1.1604 1.4920 1.5021 1.9612 1.9723 2.3748 2.3834 2.6082 2.6118 3.0020 3.0286 3.3064 3.3303 3.4956 3.5107 3.8659 3.8705 8.4214 8.4269 8.6356 8.6410 8.9393 8.9518 9.4341 9.4395 k = 0.0862 0.4054 0.5545 ( 4606 PWs) bands (ev): -7.9386 -7.9382 -7.7003 -7.6999 -7.4110 -7.4095 -7.3367 -7.3360 -3.6004 -3.5816 -3.5022 -3.4774 -3.0128 -2.9665 -2.8825 -2.8688 -2.8338 -2.8279 -0.7357 -0.7249 0.0304 0.0469 0.3184 0.3203 1.1549 1.1696 1.5382 1.5485 1.9817 1.9940 2.3971 2.4068 2.6236 2.6286 3.0132 3.0415 3.3161 3.3399 3.5180 3.5331 3.8631 3.8682 8.3808 8.3860 8.6149 8.6206 8.9213 8.9337 9.4176 9.4234 k = 0.0948 0.3941 0.5687 ( 4610 PWs) bands (ev): -7.9309 -7.9304 -7.6959 -7.6955 -7.4178 -7.4163 -7.3411 -7.3403 -3.5981 -3.5785 -3.5031 -3.4768 -3.0113 -2.9622 -2.8829 -2.8691 -2.8331 -2.8275 -0.7493 -0.7382 -0.0186 -0.0023 0.2725 0.2746 1.1571 1.1721 1.5867 1.5970 2.0067 2.0200 2.4216 2.4323 2.6394 2.6459 3.0249 3.0547 3.3252 3.3486 3.5414 3.5562 3.8604 3.8659 8.3413 8.3464 8.5907 8.5967 8.9007 8.9126 9.4052 9.4116 k = 0.1034 0.3828 0.5829 ( 4608 PWs) bands (ev): -7.9225 -7.9220 -7.6914 -7.6908 -7.4251 -7.4235 -7.3458 -7.3450 -3.5956 -3.5754 -3.5040 -3.4764 -3.0094 -2.9580 -2.8832 -2.8696 -2.8326 -2.8272 -0.7620 -0.7507 -0.0662 -0.0502 0.2254 0.2278 1.1534 1.1686 1.6372 1.6475 2.0351 2.0494 2.4484 2.4597 2.6551 2.6631 3.0371 3.0685 3.3334 3.3562 3.5650 3.5795 3.8579 3.8637 8.3038 8.3086 8.5634 8.5699 8.8767 8.8879 9.3980 9.4050 k = 0.1121 0.3715 0.5972 ( 4606 PWs) bands (ev): -7.9135 -7.9130 -7.6867 -7.6861 -7.4326 -7.4310 -7.3509 -7.3500 -3.5928 -3.5722 -3.5048 -3.4763 -3.0070 -2.9537 -2.8835 -2.8700 -2.8322 -2.8270 -0.7735 -0.7621 -0.1123 -0.0966 0.1777 0.1803 1.1447 1.1598 1.6896 1.6997 2.0657 2.0808 2.4774 2.4890 2.6704 2.6796 3.0502 3.0830 3.3408 3.3629 3.5877 3.6019 3.8558 3.8620 8.2685 8.2731 8.5336 8.5406 8.8487 8.8592 9.3965 9.4042 k = 0.1207 0.3602 0.6114 ( 4606 PWs) bands (ev): -7.9039 -7.9034 -7.6820 -7.6814 -7.4404 -7.4387 -7.3564 -7.3554 -3.5898 -3.5690 -3.5056 -3.4763 -3.0043 -2.9494 -2.8838 -2.8705 -2.8321 -2.8269 -0.7835 -0.7722 -0.1566 -0.1414 0.1298 0.1326 1.1320 1.1468 1.7433 1.7533 2.0973 2.1130 2.5083 2.5199 2.6850 2.6953 3.0641 3.0983 3.3474 3.3688 3.6087 3.6226 3.8545 3.8609 8.2358 8.2404 8.5018 8.5095 8.8166 8.8263 9.4009 9.4092 k = 0.1293 0.3489 0.6256 ( 4596 PWs) bands (ev): -7.8938 -7.8932 -7.6774 -7.6767 -7.4483 -7.4465 -7.3622 -7.3611 -3.5866 -3.5658 -3.5064 -3.4766 -3.0012 -2.9452 -2.8841 -2.8709 -2.8323 -2.8268 -0.7919 -0.7806 -0.1991 -0.1844 0.0820 0.0850 1.1163 1.1307 1.7978 1.8077 2.1290 2.1452 2.5404 2.5517 2.6990 2.7101 3.0790 3.1145 3.3531 3.3738 3.6270 3.6409 3.8543 3.8608 8.2062 8.2106 8.4688 8.4770 8.7808 8.7896 9.4109 9.4198 k = 0.1379 0.3376 0.6398 ( 4592 PWs) bands (ev): -7.8832 -7.8826 -7.6730 -7.6723 -7.4561 -7.4543 -7.3683 -7.3672 -3.5832 -3.5625 -3.5071 -3.4773 -2.9977 -2.9411 -2.8845 -2.8712 -2.8328 -2.8268 -0.7983 -0.7872 -0.2397 -0.2256 0.0349 0.0381 1.0986 1.1125 1.8525 1.8624 2.1601 2.1767 2.5726 2.5835 2.7127 2.7245 3.0948 3.1314 3.3578 3.3781 3.6421 3.6560 3.8554 3.8619 8.1796 8.1840 8.4353 8.4440 8.7418 8.7499 9.4257 9.4352 k = 0.1466 0.3263 0.6540 ( 4588 PWs) bands (ev): -7.8722 -7.8714 -7.6691 -7.6684 -7.4636 -7.4619 -7.3747 -7.3735 -3.5796 -3.5591 -3.5078 -3.4781 -2.9940 -2.9370 -2.8851 -2.8714 -2.8336 -2.8269 -0.8027 -0.7919 -0.2783 -0.2649 -0.0112 -0.0079 1.0796 1.0930 1.9067 1.9166 2.1905 2.2072 2.6027 2.6139 2.7268 2.7392 3.1116 3.1491 3.3618 3.3817 3.6536 3.6676 3.8580 3.8645 8.1563 8.1607 8.4020 8.4111 8.7004 8.7079 9.4445 9.4543 k = 0.1552 0.3150 0.6682 ( 4578 PWs) bands (ev): -7.8607 -7.8599 -7.6658 -7.6650 -7.4708 -7.4691 -7.3813 -7.3801 -3.5761 -3.5557 -3.5086 -3.4793 -2.9900 -2.9329 -2.8858 -2.8714 -2.8348 -2.8272 -0.8048 -0.7944 -0.3150 -0.3023 -0.0559 -0.0524 1.0602 1.0730 1.9597 1.9697 2.2200 2.2370 2.6285 2.6411 2.7426 2.7552 3.1291 3.1674 3.3649 3.3847 3.6614 3.6755 3.8620 3.8684 8.1364 8.1408 8.3695 8.3788 8.6574 8.6644 9.4660 9.4760 k = 0.1638 0.3037 0.6825 ( 4582 PWs) bands (ev): -7.8489 -7.8480 -7.6633 -7.6625 -7.4772 -7.4756 -7.3881 -7.3869 -3.5726 -3.5522 -3.5093 -3.4808 -2.9859 -2.9290 -2.8868 -2.8713 -2.8362 -2.8277 -0.8048 -0.7947 -0.3498 -0.3379 -0.0986 -0.0950 1.0409 1.0532 2.0105 2.0208 2.2490 2.2664 2.6485 2.6631 2.7607 2.7731 3.1473 3.1861 3.3675 3.3875 3.6658 3.6798 3.8669 3.8732 8.1198 8.1242 8.3384 8.3478 8.6136 8.6203 9.4887 9.4986 k = 0.1724 0.2924 0.6967 ( 4590 PWs) bands (ev): -7.8367 -7.8359 -7.6620 -7.6611 -7.4827 -7.4812 -7.3952 -7.3939 -3.5691 -3.5487 -3.5100 -3.4826 -2.9817 -2.9252 -2.8878 -2.8710 -2.8379 -2.8283 -0.8024 -0.7928 -0.3828 -0.3717 -0.1390 -0.1354 1.0222 1.0340 2.0580 2.0688 2.2779 2.2959 2.6626 2.6789 2.7808 2.7922 3.1660 3.2053 3.3696 3.3903 3.6673 3.6812 3.8723 3.8784 8.1065 8.1109 8.3095 8.3189 8.5697 8.5762 9.5112 9.5205 k = 0.1810 0.2811 0.7109 ( 4584 PWs) bands (ev): -7.8244 -7.8234 -7.6619 -7.6611 -7.4871 -7.4856 -7.4023 -7.4010 -3.5658 -3.5450 -3.5107 -3.4847 -2.9774 -2.9216 -2.8890 -2.8705 -2.8397 -2.8292 -0.7978 -0.7886 -0.4140 -0.4038 -0.1766 -0.1731 1.0045 1.0158 2.1012 2.1128 2.3072 2.3261 2.6719 2.6892 2.8008 2.8108 3.1848 3.2246 3.3715 3.3935 3.6665 3.6801 3.8777 3.8834 8.0962 8.1007 8.2833 8.2925 8.5265 8.5328 9.5318 9.5401 k = 0.1897 0.2698 0.7251 ( 4580 PWs) bands (ev): -7.8118 -7.8108 -7.6635 -7.6625 -7.4901 -7.4887 -7.4095 -7.4082 -3.5628 -3.5411 -3.5114 -3.4871 -2.9732 -2.9182 -2.8901 -2.8698 -2.8417 -2.8301 -0.7911 -0.7823 -0.4436 -0.4344 -0.2109 -0.2076 0.9882 0.9991 2.1392 2.1515 2.3373 2.3573 2.6779 2.6957 2.8181 2.8269 3.2034 3.2439 3.3736 3.3976 3.6641 3.6771 3.8826 3.8879 8.0886 8.0932 8.2605 8.2696 8.4844 8.4907 9.5496 9.5566 k = 0.1983 0.2585 0.7393 ( 4578 PWs) bands (ev): -7.7992 -7.7982 -7.6666 -7.6656 -7.4916 -7.4904 -7.4167 -7.4154 -3.5600 -3.5372 -3.5120 -3.4897 -2.9691 -2.9150 -2.8913 -2.8692 -2.8438 -2.8312 -0.7823 -0.7740 -0.4717 -0.4634 -0.2415 -0.2383 0.9736 0.9841 2.1713 2.1843 2.3681 2.3893 2.6819 2.6998 2.8308 2.8393 3.2211 3.2626 3.3763 3.4031 3.6604 3.6727 3.8867 3.8915 8.0834 8.0880 8.2418 8.2507 8.4441 8.4503 9.5639 9.5695 k = 0.2069 0.2471 0.7535 ( 4584 PWs) bands (ev): -7.7866 -7.7856 -7.6713 -7.6703 -7.4918 -7.4907 -7.4238 -7.4224 -3.5576 -3.5331 -3.5126 -3.4927 -2.9654 -2.9124 -2.8922 -2.8685 -2.8459 -2.8323 -0.7717 -0.7640 -0.4981 -0.4907 -0.2680 -0.2650 0.9608 0.9710 2.1975 2.2110 2.3989 2.4212 2.6848 2.7024 2.8380 2.8473 3.2372 3.2799 3.3797 3.4100 3.6560 3.6673 3.8899 3.8941 8.0800 8.0844 8.2280 8.2366 8.4060 8.4122 9.5749 9.5792 k = 0.2155 0.2358 0.7678 ( 4590 PWs) bands (ev): -7.7743 -7.7732 -7.6774 -7.6764 -7.4907 -7.4898 -7.4305 -7.4291 -3.5556 -3.5290 -3.5132 -3.4958 -2.9620 -2.9103 -2.8928 -2.8678 -2.8478 -2.8335 -0.7598 -0.7528 -0.5226 -0.5161 -0.2900 -0.2873 0.9502 0.9600 2.2180 2.2318 2.4283 2.4515 2.6876 2.7044 2.8400 2.8507 3.2508 3.2950 3.3842 3.4182 3.6513 3.6615 3.8923 3.8958 8.0778 8.0820 8.2196 8.2279 8.3707 8.3768 9.5829 9.5861 k = 0.2241 0.2245 0.7820 ( 4594 PWs) bands (ev): -7.7624 -7.7614 -7.6846 -7.6835 -7.4887 -7.4879 -7.4367 -7.4353 -3.5541 -3.5249 -3.5136 -3.4992 -2.9591 -2.9088 -2.8931 -2.8672 -2.8495 -2.8345 -0.7474 -0.7412 -0.5446 -0.5390 -0.3073 -0.3047 0.9417 0.9514 2.2334 2.2473 2.4542 2.4781 2.6909 2.7058 2.8382 2.8504 3.2617 3.3070 3.3895 3.4270 3.6468 3.6556 3.8940 3.8967 8.0763 8.0799 8.2171 8.2249 8.3388 8.3449 9.5886 9.5907 k = 0.2328 0.2132 0.7962 ( 4602 PWs) bands (ev): -7.7515 -7.7506 -7.6922 -7.6911 -7.4864 -7.4858 -7.4419 -7.4405 -3.5529 -3.5210 -3.5138 -3.5027 -2.9569 -2.9080 -2.8929 -2.8669 -2.8508 -2.8353 -0.7356 -0.7306 -0.5626 -0.5581 -0.3198 -0.3173 0.9357 0.9451 2.2441 2.2580 2.4748 2.4990 2.6948 2.7066 2.8342 2.8479 3.2694 3.3155 3.3948 3.4348 3.6430 3.6505 3.8951 3.8970 8.0754 8.0782 8.2202 8.2271 8.3116 8.3172 9.5922 9.5936 k = 0.2414 0.2019 0.8104 ( 4600 PWs) bands (ev): -7.7427 -7.7421 -7.6988 -7.6979 -7.4844 -7.4839 -7.4456 -7.4441 -3.5522 -3.5178 -3.5135 -3.5060 -2.9556 -2.9077 -2.8927 -2.8666 -2.8517 -2.8358 -0.7265 -0.7230 -0.5749 -0.5715 -0.3273 -0.3249 0.9320 0.9413 2.2504 2.2642 2.4880 2.5123 2.6991 2.7063 2.8304 2.8450 3.2739 3.3203 3.3988 3.4404 3.6405 3.6470 3.8959 3.8969 8.0750 8.0767 8.2271 8.2321 8.2915 8.2956 9.5944 9.5950 k = 0.2500 0.1906 0.8246 ( 4600 PWs) bands (ev): -7.7389 -7.7387 -7.7017 -7.7010 -7.4835 -7.4832 -7.4470 -7.4455 -3.5520 -3.5166 -3.5127 -3.5080 -2.9551 -2.9076 -2.8926 -2.8666 -2.8519 -2.8360 -0.7229 -0.7203 -0.5792 -0.5765 -0.3298 -0.3274 0.9307 0.9401 2.2524 2.2663 2.4926 2.5168 2.7017 2.7054 2.8289 2.8438 3.2754 3.3219 3.4003 3.4424 3.6396 3.6456 3.8964 3.8965 8.0750 8.0761 8.2324 8.2342 8.2845 8.2852 9.5953 9.5953 k = 0.2500 0.1906 0.8246 ( 4600 PWs) bands (ev): -7.7389 -7.7387 -7.7017 -7.7010 -7.4835 -7.4832 -7.4470 -7.4455 -3.5520 -3.5166 -3.5127 -3.5080 -2.9551 -2.9076 -2.8926 -2.8666 -2.8519 -2.8360 -0.7229 -0.7203 -0.5792 -0.5765 -0.3298 -0.3274 0.9307 0.9401 2.2524 2.2663 2.4926 2.5168 2.7017 2.7054 2.8289 2.8438 3.2754 3.3219 3.4003 3.4424 3.6396 3.6456 3.8964 3.8965 8.0750 8.0761 8.2324 8.2342 8.2845 8.2852 9.5953 9.5953 k = 0.2625 0.2001 0.8127 ( 4598 PWs) bands (ev): -7.7402 -7.7398 -7.7007 -7.7000 -7.4838 -7.4834 -7.4465 -7.4450 -3.5520 -3.5171 -3.5131 -3.5071 -2.9552 -2.9078 -2.8925 -2.8668 -2.8516 -2.8359 -0.7268 -0.7238 -0.5779 -0.5750 -0.3257 -0.3233 0.9328 0.9422 2.2476 2.2612 2.4885 2.5126 2.7028 2.7078 2.8299 2.8444 3.2728 3.3155 3.4076 3.4459 3.6399 3.6461 3.8971 3.8977 8.0630 8.0642 8.2306 8.2336 8.2975 8.2998 9.5948 9.5951 k = 0.2750 0.2097 0.8007 ( 4590 PWs) bands (ev): -7.7433 -7.7427 -7.6984 -7.6975 -7.4845 -7.4841 -7.4453 -7.4438 -3.5522 -3.5185 -3.5139 -3.5052 -2.9554 -2.9084 -2.8923 -2.8672 -2.8508 -2.8355 -0.7375 -0.7335 -0.5739 -0.5703 -0.3144 -0.3118 0.9391 0.9484 2.2334 2.2465 2.4781 2.5018 2.7044 2.7108 2.8337 2.8470 3.2657 3.3012 3.4247 3.4557 3.6410 3.6476 3.8995 3.9005 8.0319 8.0331 8.2300 8.2332 8.3309 8.3338 9.5941 9.5946 k = 0.2875 0.2192 0.7887 ( 4587 PWs) bands (ev): -7.7471 -7.7464 -7.6955 -7.6947 -7.4855 -7.4850 -7.4436 -7.4422 -3.5524 -3.5203 -3.5147 -3.5030 -2.9559 -2.9096 -2.8921 -2.8676 -2.8497 -2.8349 -0.7524 -0.7475 -0.5676 -0.5635 -0.2972 -0.2946 0.9493 0.9586 2.2111 2.2232 2.4634 2.4865 2.7038 2.7109 2.8405 2.8517 3.2559 3.2848 3.4456 3.4699 3.6432 3.6504 3.9035 3.9048 7.9907 7.9919 8.2303 8.2334 8.3755 8.3788 9.5939 9.5944 k = 0.3000 0.2287 0.7767 ( 4591 PWs) bands (ev): -7.7510 -7.7502 -7.6927 -7.6918 -7.4866 -7.4861 -7.4417 -7.4403 -3.5528 -3.5225 -3.5156 -3.5008 -2.9566 -2.9111 -2.8922 -2.8678 -2.8485 -2.8341 -0.7688 -0.7633 -0.5601 -0.5558 -0.2756 -0.2728 0.9631 0.9724 2.1822 2.1933 2.4450 2.4671 2.7005 2.7082 2.8486 2.8576 3.2448 3.2686 3.4672 3.4865 3.6466 3.6546 3.9089 3.9105 7.9457 7.9471 8.2302 8.2331 8.4266 8.4305 9.5943 9.5949 k = 0.3125 0.2383 0.7647 ( 4588 PWs) bands (ev): -7.7546 -7.7539 -7.6901 -7.6893 -7.4877 -7.4871 -7.4398 -7.4385 -3.5533 -3.5247 -3.5166 -3.4987 -2.9575 -2.9130 -2.8926 -2.8677 -2.8474 -2.8332 -0.7848 -0.7788 -0.5523 -0.5479 -0.2507 -0.2478 0.9804 0.9897 2.1484 2.1586 2.4227 2.4436 2.6958 2.7040 2.8563 2.8633 3.2336 3.2536 3.4878 3.5035 3.6516 3.6604 3.9156 3.9173 7.9004 7.9020 8.2295 8.2321 8.4817 8.4862 9.5954 9.5962 k = 0.3250 0.2478 0.7527 ( 4586 PWs) bands (ev): -7.7579 -7.7571 -7.6879 -7.6871 -7.4887 -7.4881 -7.4382 -7.4370 -3.5539 -3.5271 -3.5177 -3.4967 -2.9586 -2.9152 -2.8933 -2.8673 -2.8463 -2.8322 -0.7989 -0.7925 -0.5446 -0.5402 -0.2237 -0.2205 1.0008 1.0100 2.1115 2.1209 2.3963 2.4157 2.6909 2.6994 2.8621 2.8677 3.2227 3.2400 3.5062 3.5194 3.6580 3.6675 3.9234 3.9252 7.8568 7.8587 8.2282 8.2306 8.5394 8.5445 9.5967 9.5979 k = 0.3375 0.2573 0.7407 ( 4584 PWs) bands (ev): -7.7606 -7.7599 -7.6860 -7.6854 -7.4894 -7.4888 -7.4371 -7.4359 -3.5547 -3.5294 -3.5189 -3.4950 -2.9601 -2.9177 -2.8942 -2.8668 -2.8454 -2.8313 -0.8100 -0.8034 -0.5372 -0.5329 -0.1954 -0.1918 1.0239 1.0330 2.0729 2.0818 2.3660 2.3838 2.6864 2.6949 2.8653 2.8702 3.2125 3.2279 3.5220 3.5331 3.6655 3.6756 3.9320 3.9338 7.8162 7.8184 8.2263 8.2286 8.5990 8.6046 9.5976 9.5993 k = 0.3500 0.2669 0.7288 ( 4582 PWs) bands (ev): -7.7627 -7.7620 -7.6847 -7.6840 -7.4900 -7.4894 -7.4364 -7.4353 -3.5556 -3.5318 -3.5202 -3.4935 -2.9619 -2.9204 -2.8951 -2.8662 -2.8447 -2.8305 -0.8175 -0.8107 -0.5302 -0.5260 -0.1666 -0.1626 1.0492 1.0583 2.0340 2.0425 2.3325 2.3486 2.6820 2.6907 2.8658 2.8705 3.2030 3.2170 3.5351 3.5445 3.6734 3.6838 3.9411 3.9427 7.7797 7.7822 8.2243 8.2265 8.6598 8.6658 9.5971 9.5995 k = 0.3625 0.2764 0.7168 ( 4586 PWs) bands (ev): -7.7642 -7.7635 -7.6837 -7.6832 -7.4903 -7.4897 -7.4363 -7.4352 -3.5567 -3.5341 -3.5215 -3.4923 -2.9640 -2.9233 -2.8961 -2.8656 -2.8441 -2.8300 -0.8209 -0.8140 -0.5236 -0.5195 -0.1381 -0.1337 1.0764 1.0855 1.9959 2.0041 2.2965 2.3112 2.6774 2.6863 2.8637 2.8687 3.1943 3.2073 3.5457 3.5536 3.6807 3.6915 3.9499 3.9514 7.7481 7.7510 8.2222 8.2244 8.7214 8.7276 9.5941 9.5971 k = 0.3750 0.2859 0.7048 ( 4593 PWs) bands (ev): -7.7650 -7.7644 -7.6833 -7.6828 -7.4904 -7.4898 -7.4368 -7.4357 -3.5581 -3.5364 -3.5229 -3.4914 -2.9665 -2.9263 -2.8970 -2.8652 -2.8439 -2.8297 -0.8199 -0.8128 -0.5173 -0.5133 -0.1106 -0.1057 1.1050 1.1139 1.9595 1.9675 2.2591 2.2725 2.6720 2.6814 2.8593 2.8651 3.1865 3.1987 3.5542 3.5609 3.6869 3.6979 3.9576 3.9591 7.7220 7.7254 8.2205 8.2227 8.7834 8.7895 9.5875 9.5911 k = 0.3875 0.2955 0.6928 ( 4592 PWs) bands (ev): -7.7650 -7.7644 -7.6834 -7.6830 -7.4902 -7.4897 -7.4378 -7.4368 -3.5597 -3.5386 -3.5242 -3.4908 -2.9695 -2.9293 -2.8978 -2.8648 -2.8439 -2.8297 -0.8143 -0.8070 -0.5113 -0.5072 -0.0847 -0.0794 1.1342 1.1431 1.9256 1.9336 2.2213 2.2335 2.6651 2.6754 2.8531 2.8600 3.1794 3.1911 3.5611 3.5669 3.6913 3.7027 3.9635 3.9649 7.7020 7.7058 8.2193 8.2216 8.8454 8.8512 9.5765 9.5807 k = 0.4000 0.3050 0.6808 ( 4592 PWs) bands (ev): -7.7643 -7.7638 -7.6841 -7.6838 -7.4898 -7.4893 -7.4394 -7.4384 -3.5615 -3.5408 -3.5255 -3.4905 -2.9728 -2.9324 -2.8984 -2.8646 -2.8442 -2.8300 -0.8040 -0.7965 -0.5053 -0.5011 -0.0611 -0.0553 1.1636 1.1723 1.8950 1.9030 2.1840 2.1954 2.6564 2.6679 2.8455 2.8537 3.1731 3.1843 3.5667 3.5719 3.6940 3.7056 3.9668 3.9682 7.6882 7.6926 8.2190 8.2214 8.9068 8.9122 9.5609 9.5656 k = 0.4125 0.3145 0.6688 ( 4594 PWs) bands (ev): -7.7628 -7.7623 -7.6855 -7.6852 -7.4891 -7.4887 -7.4414 -7.4404 -3.5635 -3.5429 -3.5267 -3.4905 -2.9764 -2.9354 -2.8990 -2.8645 -2.8448 -2.8306 -0.7890 -0.7812 -0.4993 -0.4950 -0.0402 -0.0339 1.1923 1.2010 1.8683 1.8762 2.1482 2.1588 2.6454 2.6584 2.8369 2.8465 3.1675 3.1782 3.5713 3.5763 3.6950 3.7069 3.9668 3.9683 7.6808 7.6858 8.2198 8.2223 8.9673 8.9721 9.5409 9.5461 k = 0.4250 0.3240 0.6568 ( 4594 PWs) bands (ev): -7.7606 -7.7602 -7.6876 -7.6874 -7.4883 -7.4880 -7.4437 -7.4427 -3.5659 -3.5449 -3.5279 -3.4907 -2.9804 -2.9383 -2.8994 -2.8644 -2.8458 -2.8314 -0.7694 -0.7614 -0.4932 -0.4887 -0.0225 -0.0157 1.2197 1.2282 1.8460 1.8538 2.1147 2.1249 2.6321 2.6468 2.8275 2.8385 3.1624 3.1726 3.5749 3.5801 3.6943 3.7064 3.9631 3.9647 7.6796 7.6852 8.2221 8.2246 9.0262 9.0304 9.5169 9.5225 k = 0.4375 0.3336 0.6449 ( 4590 PWs) bands (ev): -7.7576 -7.7572 -7.6906 -7.6904 -7.4874 -7.4871 -7.4461 -7.4451 -3.5684 -3.5468 -3.5289 -3.4911 -2.9847 -2.9412 -2.8998 -2.8646 -2.8469 -2.8325 -0.7456 -0.7372 -0.4869 -0.4820 -0.0083 -0.0012 1.2449 1.2532 1.8284 1.8361 2.0844 2.0945 2.6164 2.6328 2.8178 2.8301 3.1578 3.1674 3.5777 3.5835 3.6923 3.7045 3.9558 3.9575 7.6843 7.6904 8.2259 8.2286 9.0829 9.0868 9.4887 9.4949 k = 0.4500 0.3431 0.6329 ( 4595 PWs) bands (ev): -7.7539 -7.7536 -7.6946 -7.6944 -7.4863 -7.4861 -7.4484 -7.4474 -3.5710 -3.5487 -3.5297 -3.4917 -2.9891 -2.9440 -2.9000 -2.8648 -2.8482 -2.8337 -0.7180 -0.7090 -0.4800 -0.4746 0.0021 0.0096 1.2670 1.2751 1.8156 1.8232 2.0581 2.0685 2.5985 2.6165 2.8077 2.8213 3.1535 3.1626 3.5796 3.5861 3.6891 3.7012 3.9450 3.9468 7.6943 7.7010 8.2317 8.2346 9.1367 9.1407 9.4566 9.4632 k = 0.4625 0.3526 0.6209 ( 4593 PWs) bands (ev): -7.7496 -7.7493 -7.6996 -7.6994 -7.4853 -7.4851 -7.4504 -7.4494 -3.5738 -3.5506 -3.5305 -3.4925 -2.9936 -2.9467 -2.9002 -2.8653 -2.8495 -2.8350 -0.6872 -0.6776 -0.4722 -0.4662 0.0087 0.0166 1.2853 1.2933 1.8074 1.8149 2.0367 2.0476 2.5786 2.5980 2.7974 2.8120 3.1493 3.1579 3.5807 3.5879 3.6848 3.6965 3.9314 3.9332 7.7088 7.7161 8.2395 8.2426 9.1868 9.1916 9.4201 9.4273 k = 0.4750 0.3622 0.6089 ( 4598 PWs) bands (ev): -7.7449 -7.7445 -7.7055 -7.7053 -7.4843 -7.4841 -7.4519 -7.4508 -3.5767 -3.5523 -3.5312 -3.4934 -2.9981 -2.9494 -2.9003 -2.8660 -2.8507 -2.8364 -0.6542 -0.6437 -0.4629 -0.4560 0.0116 0.0197 1.2993 1.3072 1.8032 1.8109 2.0208 2.0325 2.5569 2.5776 2.7869 2.8024 3.1450 3.1531 3.5805 3.5886 3.6794 3.6903 3.9161 3.9176 7.7270 7.7347 8.2495 8.2528 9.2325 9.2387 9.3791 9.3869 k = 0.4875 0.3717 0.5969 ( 4594 PWs) bands (ev): -7.7404 -7.7399 -7.7120 -7.7117 -7.4834 -7.4832 -7.4526 -7.4515 -3.5795 -3.5541 -3.5319 -3.4943 -3.0025 -2.9520 -2.9004 -2.8669 -2.8516 -2.8379 -0.6207 -0.6092 -0.4508 -0.4428 0.0111 0.0194 1.3086 1.3166 1.8023 1.8103 2.0113 2.0237 2.5340 2.5556 2.7762 2.7923 3.1404 3.1483 3.5788 3.5875 3.6727 3.6825 3.9006 3.9016 7.7477 7.7559 8.2617 8.2652 9.2720 9.2798 9.3338 9.3432 k = 0.5000 0.3812 0.5849 ( 4590 PWs) bands (ev): -7.7385 -7.7379 -7.7166 -7.7162 -7.4826 -7.4823 -7.4524 -7.4513 -3.5822 -3.5558 -3.5324 -3.4952 -3.0066 -2.9545 -2.9005 -2.8682 -2.8523 -2.8393 -0.5889 -0.5764 -0.4339 -0.4249 0.0077 0.0159 1.3134 1.3216 1.8035 1.8118 2.0083 2.0215 2.5100 2.5322 2.7652 2.7819 3.1353 3.1432 3.5745 3.5839 3.6645 3.6738 3.8861 3.8868 7.7701 7.7786 8.2760 8.2798 9.2746 9.2799 9.3141 9.3263 k = 0.5000 0.3812 0.5849 ( 4590 PWs) bands (ev): -7.7385 -7.7379 -7.7166 -7.7162 -7.4826 -7.4823 -7.4524 -7.4513 -3.5822 -3.5558 -3.5324 -3.4952 -3.0066 -2.9545 -2.9005 -2.8682 -2.8523 -2.8393 -0.5889 -0.5764 -0.4339 -0.4249 0.0077 0.0159 1.3134 1.3216 1.8035 1.8118 2.0083 2.0215 2.5100 2.5322 2.7652 2.7819 3.1353 3.1432 3.5745 3.5839 3.6645 3.6738 3.8861 3.8868 7.7701 7.7786 8.2760 8.2798 9.2746 9.2799 9.3141 9.3263 k = 0.5000 0.3812 0.5648 ( 4596 PWs) bands (ev): -7.7407 -7.7400 -7.7203 -7.7199 -7.4809 -7.4805 -7.4510 -7.4499 -3.5865 -3.5587 -3.5336 -3.4967 -3.0131 -2.9589 -2.9006 -2.8705 -2.8531 -2.8416 -0.5390 -0.5250 -0.3991 -0.3880 0.0002 0.0080 1.3181 1.3268 1.8067 1.8156 2.0089 2.0229 2.4693 2.4923 2.7469 2.7641 3.1261 3.1343 3.5637 3.5745 3.6497 3.6590 3.8631 3.8643 7.8092 7.8183 8.3012 8.3054 9.1922 9.1966 9.3090 9.3204 k = 0.5000 0.3812 0.5446 ( 4596 PWs) bands (ev): -7.7436 -7.7429 -7.7245 -7.7240 -7.4785 -7.4780 -7.4489 -7.4478 -3.5903 -3.5616 -3.5350 -3.4982 -3.0189 -2.9634 -2.9009 -2.8728 -2.8540 -2.8439 -0.4908 -0.4757 -0.3625 -0.3488 -0.0053 0.0012 1.3235 1.3328 1.8102 1.8197 2.0089 2.0236 2.4299 2.4534 2.7296 2.7473 3.1164 3.1249 3.5522 3.5640 3.6350 3.6443 3.8399 3.8418 7.8494 7.8591 8.3250 8.3298 9.1049 9.1089 9.2266 9.2402 k = 0.5000 0.3812 0.5244 ( 4600 PWs) bands (ev): -7.7475 -7.7467 -7.7293 -7.7287 -7.4754 -7.4747 -7.4461 -7.4450 -3.5936 -3.5646 -3.5367 -3.4997 -3.0240 -2.9679 -2.9013 -2.8753 -2.8549 -2.8460 -0.4461 -0.4305 -0.3249 -0.3080 -0.0068 -0.0028 1.3298 1.3395 1.8139 1.8239 2.0081 2.0236 2.3924 2.4163 2.7136 2.7316 3.1064 3.1151 3.5398 3.5526 3.6208 3.6295 3.8169 3.8197 7.8904 7.9006 8.3467 8.3521 9.0161 9.0199 9.1401 9.1550 k = 0.5000 0.3812 0.5043 ( 4616 PWs) bands (ev): -7.7521 -7.7512 -7.7347 -7.7340 -7.4715 -7.4706 -7.4427 -7.4416 -3.5963 -3.5676 -3.5387 -3.5010 -3.0283 -2.9725 -2.9018 -2.8779 -2.8558 -2.8479 -0.4068 -0.3918 -0.2887 -0.2681 -0.0009 -0.0004 1.3371 1.3474 1.8179 1.8284 2.0064 2.0226 2.3577 2.3817 2.6991 2.7172 3.0961 3.1050 3.5267 3.5401 3.6070 3.6149 3.7943 3.7980 7.9314 7.9421 8.3655 8.3715 8.9270 8.9308 9.0524 9.0686 k = 0.5000 0.3812 0.4841 ( 4604 PWs) bands (ev): -7.7574 -7.7566 -7.7406 -7.7399 -7.4668 -7.4657 -7.4385 -7.4374 -3.5983 -3.5708 -3.5409 -3.5022 -3.0319 -2.9769 -2.9022 -2.8808 -2.8564 -2.8496 -0.3744 -0.3614 -0.2570 -0.2331 0.0125 0.0175 1.3457 1.3565 1.8221 1.8331 2.0037 2.0205 2.3264 2.3503 2.6863 2.7045 3.0855 3.0947 3.5128 3.5266 3.5938 3.6006 3.7724 3.7772 7.9719 7.9831 8.3801 8.3869 8.8388 8.8428 8.9651 8.9828 k = 0.5000 0.3812 0.4639 ( 4604 PWs) bands (ev): -7.7634 -7.7626 -7.7471 -7.7463 -7.4613 -7.4601 -7.4337 -7.4327 -3.5997 -3.5740 -3.5433 -3.5032 -3.0347 -2.9812 -2.9026 -2.8841 -2.8569 -2.8511 -0.3509 -0.3415 -0.2309 -0.2065 0.0409 0.0503 1.3558 1.3671 1.8265 1.8378 1.9999 2.0172 2.2990 2.3226 2.6754 2.6934 3.0747 3.0842 3.4982 3.5121 3.5812 3.5865 3.7513 3.7572 8.0111 8.0228 8.3892 8.3967 8.7527 8.7575 8.8798 8.8990 k = 0.5000 0.3812 0.4437 ( 4600 PWs) bands (ev): -7.7699 -7.7691 -7.7542 -7.7532 -7.4552 -7.4537 -7.4284 -7.4274 -3.6005 -3.5773 -3.5458 -3.5041 -3.0368 -2.9851 -2.9030 -2.8876 -2.8573 -2.8524 -0.3403 -0.3329 -0.2081 -0.1867 0.0850 0.0970 1.3675 1.3795 1.8309 1.8426 1.9948 2.0126 2.2760 2.2993 2.6665 2.6841 3.0637 3.0735 3.4829 3.4965 3.5693 3.5730 3.7313 3.7382 8.0478 8.0600 8.3901 8.3985 8.6706 8.6769 8.7985 8.8193 k = 0.5000 0.3812 0.4236 ( 4586 PWs) bands (ev): -7.7768 -7.7761 -7.7617 -7.7607 -7.4483 -7.4467 -7.4226 -7.4216 -3.6005 -3.5806 -3.5484 -3.5047 -3.0383 -2.9886 -2.9033 -2.8913 -2.8576 -2.8534 -0.3454 -0.3341 -0.1861 -0.1693 0.1409 0.1540 1.3812 1.3939 1.8354 1.8472 1.9887 2.0070 2.2578 2.2806 2.6595 2.6767 3.0525 3.0626 3.4667 3.4800 3.5579 3.5602 3.7124 3.7204 8.0806 8.0934 8.3790 8.3886 8.5954 8.6042 8.7237 8.7461 k = 0.5000 0.3812 0.4034 ( 4586 PWs) bands (ev): -7.7841 -7.7834 -7.7697 -7.7685 -7.4409 -7.4391 -7.4164 -7.4154 -3.5999 -3.5838 -3.5511 -3.5052 -3.0392 -2.9916 -2.9035 -2.8953 -2.8580 -2.8542 -0.3622 -0.3457 -0.1643 -0.1511 0.2044 0.2177 1.3970 1.4105 1.8397 1.8517 1.9819 2.0004 2.2443 2.2666 2.6545 2.6711 3.0412 3.0516 3.4497 3.4626 3.5469 3.5489 3.6947 3.7036 8.1071 8.1206 8.3509 8.3615 8.5318 8.5433 8.6590 8.6823 k = 0.5000 0.3812 0.3832 ( 4588 PWs) bands (ev): -7.7916 -7.7909 -7.7780 -7.7768 -7.4330 -7.4311 -7.4098 -7.4088 -3.5988 -3.5870 -3.5538 -3.5056 -3.0396 -2.9939 -2.9037 -2.8993 -2.8586 -2.8545 -0.3866 -0.3661 -0.1436 -0.1324 0.2723 0.2854 1.4151 1.4293 1.8439 1.8556 1.9747 1.9934 2.2356 2.2574 2.6514 2.6673 3.0298 3.0405 3.4318 3.4442 3.5363 3.5393 3.6781 3.6879 8.1241 8.1382 8.3040 8.3148 8.4835 8.4954 8.6080 8.6305 k = 0.5000 0.3812 0.3631 ( 4600 PWs) bands (ev): -7.7992 -7.7986 -7.7865 -7.7852 -7.4248 -7.4228 -7.4030 -7.4021 -3.5972 -3.5900 -3.5565 -3.5059 -3.0397 -2.9954 -2.9050 -2.9023 -2.8595 -2.8546 -0.4163 -0.3931 -0.1244 -0.1140 0.3425 0.3552 1.4353 1.4505 1.8475 1.8589 1.9677 1.9864 2.2314 2.2527 2.6502 2.6653 3.0182 3.0292 3.4129 3.4249 3.5267 3.5309 3.6628 3.6731 8.1268 8.1413 8.2439 8.2539 8.4499 8.4593 8.5711 8.5912 k = 0.5000 0.3812 0.3429 ( 4598 PWs) bands (ev): -7.8069 -7.8063 -7.7951 -7.7938 -7.4163 -7.4142 -7.3961 -7.3951 -3.5960 -3.5918 -3.5592 -3.5060 -3.0396 -2.9959 -2.9087 -2.9027 -2.8605 -2.8545 -0.4495 -0.4245 -0.1073 -0.0972 0.4138 0.4258 1.4577 1.4738 1.8506 1.8613 1.9615 1.9799 2.2316 2.2525 2.6507 2.6648 3.0065 3.0178 3.3931 3.4047 3.5185 3.5238 3.6486 3.6593 8.1110 8.1255 8.1779 8.1868 8.4301 8.4365 8.5438 8.5610 k = 0.5000 0.3812 0.3227 ( 4604 PWs) bands (ev): -7.8145 -7.8140 -7.8038 -7.8025 -7.4076 -7.4054 -7.3890 -7.3881 -3.5973 -3.5905 -3.5619 -3.5061 -3.0393 -2.9955 -2.9129 -2.9025 -2.8616 -2.8542 -0.4852 -0.4590 -0.0923 -0.0824 0.4850 0.4964 1.4820 1.4991 1.8528 1.8623 1.9566 1.9745 2.2361 2.2565 2.6529 2.6660 2.9948 3.0063 3.3721 3.3836 3.5117 3.5180 3.6355 3.6463 8.0769 8.0902 8.1118 8.1191 8.4227 8.4274 8.5208 8.5356 k = 0.5000 0.3812 0.3026 ( 4596 PWs) bands (ev): -7.8220 -7.8216 -7.8124 -7.8111 -7.3989 -7.3967 -7.3820 -7.3811 -3.5996 -3.5875 -3.5645 -3.5061 -3.0389 -2.9941 -2.9171 -2.9020 -2.8627 -2.8540 -0.5223 -0.4956 -0.0798 -0.0699 0.5555 0.5661 1.5078 1.5258 1.8538 1.8618 1.9533 1.9704 2.2448 2.2650 2.6566 2.6686 2.9829 2.9947 3.3501 3.3617 3.5064 3.5134 3.6233 3.6341 8.0286 8.0367 8.0512 8.0552 8.4231 8.4274 8.4986 8.5117 k = 0.5000 0.3812 0.2824 ( 4598 PWs) bands (ev): -7.8294 -7.8289 -7.8209 -7.8196 -7.3902 -7.3880 -7.3750 -7.3741 -3.6019 -3.5840 -3.5670 -3.5061 -3.0385 -2.9919 -2.9212 -2.9015 -2.8639 -2.8538 -0.5603 -0.5333 -0.0695 -0.0599 0.6245 0.6344 1.5347 1.5535 1.8534 1.8597 1.9519 1.9681 2.2579 2.2778 2.6618 2.6725 2.9710 2.9829 3.3271 3.3389 3.5025 3.5101 3.6119 3.6226 7.9713 7.9751 7.9921 7.9985 8.4260 8.4302 8.4756 8.4874 k = 0.5000 0.3812 0.2622 ( 4604 PWs) bands (ev): -7.8365 -7.8361 -7.8291 -7.8278 -7.3817 -7.3795 -7.3681 -7.3673 -3.6040 -3.5805 -3.5691 -3.5061 -3.0379 -2.9890 -2.9249 -2.9008 -2.8652 -2.8537 -0.5984 -0.5716 -0.0616 -0.0523 0.6916 0.7008 1.5620 1.5814 1.8515 1.8560 1.9521 1.9673 2.2755 2.2952 2.6681 2.6776 2.9590 2.9710 3.3030 3.3152 3.5000 3.5080 3.6014 3.6117 7.9119 7.9145 7.9347 7.9426 8.4265 8.4304 8.4514 8.4620 k = 0.5000 0.3812 0.2420 ( 4596 PWs) bands (ev): -7.8432 -7.8429 -7.8370 -7.8358 -7.3734 -7.3712 -7.3614 -7.3607 -3.6059 -3.5783 -3.5696 -3.5061 -3.0371 -2.9858 -2.9282 -2.9000 -2.8665 -2.8537 -0.6361 -0.6098 -0.0558 -0.0468 0.7563 0.7650 1.5891 1.6088 1.8479 1.8510 1.9538 1.9680 2.2978 2.3173 2.6756 2.6838 2.9471 2.9591 3.2777 3.2904 3.4987 3.5070 3.5917 3.6015 7.8548 7.8568 7.8792 7.8876 8.4175 8.4239 8.4292 8.4368 k = 0.5000 0.3812 0.2219 ( 4592 PWs) bands (ev): -7.8497 -7.8494 -7.8446 -7.8434 -7.3654 -7.3633 -7.3550 -7.3543 -3.6074 -3.5788 -3.5673 -3.5062 -3.0361 -2.9825 -2.9306 -2.8991 -2.8678 -2.8540 -0.6727 -0.6473 -0.0517 -0.0432 0.8183 0.8264 1.6153 1.6349 1.8425 1.8451 1.9566 1.9699 2.3249 2.3443 2.6840 2.6909 2.9351 2.9471 3.2512 3.2645 3.4984 3.5069 3.5827 3.5918 7.8015 7.8029 7.8263 7.8345 8.3924 8.4030 8.4130 8.4189 k = 0.5000 0.3812 0.2017 ( 4588 PWs) bands (ev): -7.8557 -7.8554 -7.8516 -7.8506 -7.3578 -7.3558 -7.3490 -7.3483 -3.6086 -3.5808 -3.5632 -3.5064 -3.0349 -2.9799 -2.9318 -2.8980 -2.8692 -2.8545 -0.7079 -0.6836 -0.0493 -0.0413 0.8771 0.8848 1.6401 1.6593 1.8355 1.8384 1.9601 1.9726 2.3568 2.3760 2.6933 2.6989 2.9233 2.9351 3.2234 3.2373 3.4989 3.5076 3.5744 3.5828 7.7524 7.7532 7.7765 7.7844 8.3632 8.3732 8.3950 8.3995 k = 0.5000 0.3812 0.1815 ( 4592 PWs) bands (ev): -7.8613 -7.8611 -7.8582 -7.8572 -7.3506 -7.3488 -7.3433 -7.3427 -3.6096 -3.5833 -3.5585 -3.5067 -3.0333 -2.9784 -2.9314 -2.8969 -2.8706 -2.8553 -0.7412 -0.7183 -0.0482 -0.0408 0.9326 0.9398 1.6629 1.6813 1.8273 1.8309 1.9641 1.9757 2.3933 2.4122 2.7032 2.7076 2.9115 2.9231 3.1941 3.2087 3.5001 3.5088 3.5670 3.5745 7.7079 7.7082 7.7305 7.7378 8.3329 8.3423 8.3722 8.3758 k = 0.5000 0.3812 0.1614 ( 4596 PWs) bands (ev): -7.8665 -7.8662 -7.8642 -7.8633 -7.3441 -7.3424 -7.3380 -7.3375 -3.6102 -3.5860 -3.5537 -3.5072 -3.0313 -2.9783 -2.9292 -2.8958 -2.8720 -2.8564 -0.7720 -0.7509 -0.0480 -0.0413 0.9842 0.9911 1.6835 1.7007 1.8183 1.8224 1.9683 1.9790 2.4339 2.4526 2.7136 2.7168 2.8999 2.9112 3.1633 3.1784 3.5016 3.5102 3.5604 3.5670 7.6678 7.6682 7.6886 7.6953 8.3023 8.3110 8.3466 8.3496 k = 0.5000 0.3812 0.1412 ( 4592 PWs) bands (ev): -7.8711 -7.8709 -7.8695 -7.8688 -7.3381 -7.3366 -7.3333 -7.3328 -3.6105 -3.5886 -3.5489 -3.5079 -3.0291 -2.9796 -2.9253 -2.8945 -2.8735 -2.8579 -0.8000 -0.7809 -0.0485 -0.0425 1.0317 1.0382 1.7017 1.7173 1.8089 1.8133 1.9726 1.9822 2.4781 2.4965 2.7243 2.7266 2.8884 2.8994 3.1308 3.1465 3.5032 3.5117 3.5548 3.5604 7.6324 7.6332 7.6513 7.6571 8.2723 8.2801 8.3205 8.3230 k = 0.5000 0.3812 0.1210 ( 4588 PWs) bands (ev): -7.8753 -7.8750 -7.8741 -7.8736 -7.3328 -7.3316 -7.3290 -7.3286 -3.6104 -3.5912 -3.5442 -3.5089 -3.0264 -2.9821 -2.9201 -2.8932 -2.8750 -2.8599 -0.8249 -0.8079 -0.0495 -0.0443 1.0748 1.0807 1.7175 1.7313 1.7992 1.8038 1.9767 1.9852 2.5250 2.5431 2.7350 2.7369 2.8772 2.8877 3.0966 3.1126 3.5046 3.5129 3.5502 3.5550 7.6018 7.6029 7.6189 7.6237 8.2435 8.2504 8.2957 8.2978 k = 0.5000 0.3812 0.1009 ( 4576 PWs) bands (ev): -7.8791 -7.8787 -7.8779 -7.8775 -7.3282 -7.3272 -7.3253 -7.3250 -3.6101 -3.5937 -3.5396 -3.5100 -3.0235 -2.9852 -2.9142 -2.8917 -2.8765 -2.8624 -0.8463 -0.8318 -0.0506 -0.0462 1.1128 1.1181 1.7308 1.7426 1.7898 1.7942 1.9805 1.9877 2.5736 2.5915 2.7454 2.7477 2.8663 2.8761 3.0607 3.0769 3.5058 3.5135 3.5468 3.5507 7.5761 7.5774 7.5914 7.5951 8.2169 8.2228 8.2733 8.2750 k = 0.5000 0.3812 0.0807 ( 4580 PWs) bands (ev): -7.8823 -7.8819 -7.8809 -7.8807 -7.3245 -7.3237 -7.3222 -7.3219 -3.6095 -3.5962 -3.5352 -3.5115 -3.0203 -2.9889 -2.9078 -2.8903 -2.8780 -2.8654 -0.8638 -0.8520 -0.0518 -0.0482 1.1453 1.1498 1.7417 1.7514 1.7811 1.7851 1.9839 1.9898 2.6231 2.6408 2.7556 2.7586 2.8558 2.8649 3.0231 3.0394 3.5066 3.5133 3.5446 3.5477 7.5552 7.5565 7.5691 7.5717 8.1934 8.1983 8.2541 8.2555 k = 0.5000 0.3812 0.0605 ( 4584 PWs) bands (ev): -7.8849 -7.8846 -7.8832 -7.8831 -7.3215 -7.3210 -7.3197 -7.3194 -3.6086 -3.5985 -3.5312 -3.5133 -3.0168 -2.9929 -2.9014 -2.8888 -2.8796 -2.8690 -0.8774 -0.8684 -0.0528 -0.0501 1.1716 1.1753 1.7504 1.7578 1.7736 1.7770 1.9868 1.9913 2.6722 2.6895 2.7654 2.7691 2.8461 2.8541 2.9845 3.0005 3.5071 3.5125 3.5435 3.5458 7.5389 7.5402 7.5520 7.5536 8.1740 8.1777 8.2388 8.2398 k = 0.5000 0.3812 0.0403 ( 4594 PWs) bands (ev): -7.8867 -7.8865 -7.8848 -7.8847 -7.3194 -7.3192 -7.3179 -7.3176 -3.6075 -3.6007 -3.5274 -3.5155 -3.0131 -2.9970 -2.8951 -2.8873 -2.8812 -2.8731 -0.8868 -0.8807 -0.0534 -0.0516 1.1913 1.1938 1.7568 1.7619 1.7679 1.7704 1.9892 1.9922 2.7191 2.7354 2.7744 2.7786 2.8376 2.8441 2.9463 2.9612 3.5076 3.5113 3.5431 3.5446 7.5272 7.5283 7.5400 7.5408 8.1595 8.1621 8.2276 8.2283 k = 0.5000 0.3812 0.0202 ( 4594 PWs) bands (ev): -7.8878 -7.8877 -7.8858 -7.8857 -7.3181 -7.3181 -7.3167 -7.3165 -3.6061 -3.6027 -3.5239 -3.5179 -3.0092 -3.0011 -2.8891 -2.8856 -2.8828 -2.8777 -0.8918 -0.8887 -0.0537 -0.0528 1.2036 1.2049 1.7610 1.7639 1.7646 1.7661 1.9909 1.9924 2.7597 2.7729 2.7817 2.7859 2.8318 2.8359 2.9137 2.9247 3.5081 3.5100 3.5431 3.5439 7.5203 7.5209 7.5329 7.5332 8.1509 8.1522 8.2209 8.2213 k = 0.5000 0.3812 0.0000 ( 4592 PWs) bands (ev): -7.8882 -7.8882 -7.8861 -7.8861 -7.3177 -7.3177 -7.3162 -7.3162 -3.6045 -3.6045 -3.5207 -3.5207 -3.0052 -3.0052 -2.8849 -2.8849 -2.8825 -2.8825 -0.8925 -0.8925 -0.0535 -0.0535 1.2082 1.2082 1.7629 1.7629 1.7646 1.7646 1.9920 1.9920 2.7813 2.7813 2.7896 2.7896 2.8311 2.8311 2.9027 2.9027 3.5089 3.5089 3.5434 3.5434 7.5182 7.5182 7.5306 7.5306 8.1483 8.1483 8.2188 8.2188 k = 0.0000 0.0000 0.8246 ( 4598 PWs) bands (ev): -7.7410 -7.7410 -7.7019 -7.7019 -7.4806 -7.4806 -7.4456 -7.4456 -3.5388 -3.5388 -3.5073 -3.5073 -2.9320 -2.9320 -2.8812 -2.8812 -2.8298 -2.8298 -0.9507 -0.9507 -0.6503 -0.6503 0.0622 0.0622 1.2910 1.2910 1.7882 1.7882 1.9973 1.9973 2.8330 2.8330 2.9287 2.9287 3.1962 3.1962 3.6345 3.6345 3.7897 3.7897 4.0537 4.0537 7.5156 7.5156 8.0721 8.0721 8.7682 8.7682 9.5242 9.5242 k = 0.0156 0.0119 0.8246 ( 4598 PWs) bands (ev): -7.7410 -7.7410 -7.7019 -7.7018 -7.4806 -7.4806 -7.4457 -7.4456 -3.5403 -3.5372 -3.5074 -3.5072 -2.9339 -2.9301 -2.8816 -2.8807 -2.8303 -2.8295 -0.9493 -0.9491 -0.6498 -0.6495 0.0587 0.0591 1.2850 1.2867 1.7917 1.7924 2.0024 2.0047 2.8327 2.8334 2.9275 2.9275 3.1961 3.1966 3.6343 3.6347 3.7871 3.7875 4.0521 4.0522 7.5188 7.5189 8.0735 8.0735 8.7661 8.7662 9.5249 9.5250 k = 0.0312 0.0238 0.8246 ( 4582 PWs) bands (ev): -7.7410 -7.7409 -7.7019 -7.7018 -7.4807 -7.4806 -7.4458 -7.4455 -3.5417 -3.5356 -3.5075 -3.5072 -2.9358 -2.9283 -2.8821 -2.8802 -2.8310 -2.8294 -0.9451 -0.9445 -0.6480 -0.6475 0.0486 0.0494 1.2696 1.2728 1.8028 1.8043 2.0193 2.0237 2.8325 2.8338 2.9238 2.9240 3.1965 3.1975 3.6342 3.6350 3.7800 3.7807 4.0475 4.0477 7.5285 7.5286 8.0778 8.0779 8.7596 8.7598 9.5272 9.5272 k = 0.0469 0.0357 0.8246 ( 4582 PWs) bands (ev): -7.7409 -7.7408 -7.7019 -7.7017 -7.4808 -7.4808 -7.4459 -7.4455 -3.5431 -3.5340 -3.5076 -3.5072 -2.9378 -2.9264 -2.8826 -2.8796 -2.8320 -2.8295 -0.9379 -0.9371 -0.6450 -0.6443 0.0324 0.0336 1.2464 1.2509 1.8212 1.8234 2.0463 2.0526 2.8324 2.8344 2.9178 2.9179 3.1973 3.1988 3.6342 3.6353 3.7682 3.7694 4.0401 4.0405 7.5446 7.5447 8.0848 8.0849 8.7487 8.7489 9.5309 9.5309 k = 0.0625 0.0477 0.8246 ( 4578 PWs) bands (ev): -7.7407 -7.7407 -7.7019 -7.7017 -7.4810 -7.4809 -7.4460 -7.4454 -3.5444 -3.5323 -3.5078 -3.5073 -2.9397 -2.9246 -2.8831 -2.8790 -2.8331 -2.8298 -0.9280 -0.9269 -0.6408 -0.6399 0.0108 0.0123 1.2175 1.2230 1.8461 1.8491 2.0814 2.0893 2.8324 2.8350 2.9093 2.9094 3.1985 3.2007 3.6341 3.6357 3.7521 3.7538 4.0301 4.0306 7.5667 7.5669 8.0943 8.0944 8.7333 8.7335 9.5358 9.5358 k = 0.0781 0.0596 0.8246 ( 4578 PWs) bands (ev): -7.7406 -7.7405 -7.7019 -7.7016 -7.4813 -7.4811 -7.4461 -7.4454 -3.5456 -3.5306 -3.5080 -3.5073 -2.9417 -2.9228 -2.8837 -2.8782 -2.8345 -2.8303 -0.9153 -0.9140 -0.6357 -0.6346 -0.0157 -0.0139 1.1849 1.1913 1.8767 1.8805 2.1222 2.1316 2.8324 2.8357 2.8984 2.8985 3.2003 3.2033 3.6341 3.6359 3.7320 3.7342 4.0181 4.0187 7.5946 7.5949 8.1060 8.1062 8.7130 8.7133 9.5417 9.5418 k = 0.0938 0.0715 0.8246 ( 4586 PWs) bands (ev): -7.7404 -7.7403 -7.7019 -7.7015 -7.4815 -7.4813 -7.4462 -7.4454 -3.5467 -3.5289 -3.5082 -3.5074 -2.9436 -2.9211 -2.8843 -2.8774 -2.8360 -2.8309 -0.9002 -0.8986 -0.6298 -0.6285 -0.0461 -0.0441 1.1504 1.1575 1.9122 1.9168 2.1668 2.1776 2.8323 2.8363 2.8850 2.8851 3.2028 3.2068 3.6340 3.6360 3.7084 3.7111 4.0044 4.0050 7.6280 7.6283 8.1195 8.1197 8.6878 8.6882 9.5485 9.5486 k = 0.1094 0.0834 0.8246 ( 4582 PWs) bands (ev): -7.7402 -7.7401 -7.7019 -7.7015 -7.4818 -7.4816 -7.4463 -7.4454 -3.5477 -3.5273 -3.5086 -3.5074 -2.9455 -2.9193 -2.8851 -2.8764 -2.8377 -2.8315 -0.8827 -0.8810 -0.6233 -0.6218 -0.0796 -0.0773 1.1156 1.1232 1.9516 1.9570 2.2133 2.2256 2.8321 2.8367 2.8692 2.8698 3.2062 3.2113 3.6335 3.6354 3.6821 3.6851 3.9896 3.9902 7.6663 7.6667 8.1342 8.1345 8.6575 8.6580 9.5557 9.5558 k = 0.1250 0.0953 0.8246 ( 4572 PWs) bands (ev): -7.7400 -7.7399 -7.7018 -7.7014 -7.4821 -7.4818 -7.4464 -7.4454 -3.5486 -3.5256 -3.5089 -3.5075 -2.9472 -2.9175 -2.8859 -2.8753 -2.8395 -2.8322 -0.8632 -0.8613 -0.6164 -0.6148 -0.1151 -0.1127 1.0817 1.0897 1.9936 1.9999 2.2602 2.2740 2.8313 2.8357 2.8514 2.8535 3.2105 3.2172 3.6307 3.6312 3.6570 3.6583 3.9743 3.9749 7.7092 7.7096 8.1498 8.1501 8.6224 8.6229 9.5630 9.5631 k = 0.1406 0.1072 0.8246 ( 4598 PWs) bands (ev): -7.7398 -7.7396 -7.7018 -7.7013 -7.4824 -7.4821 -7.4466 -7.4454 -3.5494 -3.5241 -3.5093 -3.5076 -2.9489 -2.9158 -2.8869 -2.8742 -2.8415 -2.8329 -0.8421 -0.8400 -0.6094 -0.6076 -0.1517 -0.1492 1.0496 1.0579 2.0372 2.0444 2.3061 2.3214 2.8259 2.8262 2.8361 2.8436 3.2161 3.2246 3.6097 3.6164 3.6420 3.6457 3.9590 3.9596 7.7559 7.7565 8.1656 8.1660 8.5825 8.5831 9.5701 9.5702 k = 0.1562 0.1191 0.8246 ( 4584 PWs) bands (ev): -7.7396 -7.7394 -7.7018 -7.7012 -7.4826 -7.4824 -7.4467 -7.4454 -3.5501 -3.5226 -3.5098 -3.5077 -2.9504 -2.9141 -2.8879 -2.8729 -2.8434 -2.8336 -0.8198 -0.8175 -0.6025 -0.6006 -0.1884 -0.1858 1.0202 1.0288 2.0811 2.0893 2.3497 2.3666 2.8062 2.8064 2.8330 2.8423 3.2230 3.2340 3.5774 3.5867 3.6392 3.6440 3.9444 3.9448 7.8059 7.8065 8.1809 8.1814 8.5385 8.5391 9.5767 9.5767 k = 0.1719 0.1310 0.8246 ( 4590 PWs) bands (ev): -7.7394 -7.7392 -7.7018 -7.7012 -7.4829 -7.4826 -7.4467 -7.4454 -3.5506 -3.5211 -3.5103 -3.5078 -2.9518 -2.9125 -2.8889 -2.8715 -2.8454 -2.8343 -0.7971 -0.7947 -0.5961 -0.5940 -0.2240 -0.2214 0.9941 1.0029 2.1240 2.1332 2.3895 2.4082 2.7832 2.7841 2.8320 2.8425 3.2315 3.2457 3.5423 3.5543 3.6388 3.6440 3.9309 3.9313 7.8584 7.8591 8.1953 8.1959 8.4909 8.4915 9.5824 9.5825 k = 0.1875 0.1430 0.8246 ( 4580 PWs) bands (ev): -7.7392 -7.7391 -7.7017 -7.7011 -7.4831 -7.4828 -7.4468 -7.4455 -3.5511 -3.5198 -3.5108 -3.5078 -2.9529 -2.9110 -2.8899 -2.8701 -2.8473 -2.8349 -0.7750 -0.7725 -0.5904 -0.5882 -0.2571 -0.2545 0.9719 0.9809 2.1641 2.1744 2.4245 2.4448 2.7597 2.7613 2.8312 2.8429 3.2414 3.2599 3.5066 3.5221 3.6389 3.6444 3.9192 3.9194 7.9123 7.9131 8.2080 8.2087 8.4409 8.4414 9.5871 9.5872 k = 0.2031 0.1549 0.8246 ( 4584 PWs) bands (ev): -7.7391 -7.7389 -7.7017 -7.7011 -7.4833 -7.4830 -7.4469 -7.4455 -3.5515 -3.5186 -3.5114 -3.5079 -2.9538 -2.9096 -2.8909 -2.8688 -2.8491 -2.8353 -0.7547 -0.7522 -0.5856 -0.5833 -0.2863 -0.2837 0.9542 0.9633 2.1994 2.2109 2.4532 2.4752 2.7376 2.7400 2.8304 2.8433 3.2524 3.2765 3.4715 3.4922 3.6392 3.6448 3.9096 3.9096 7.9660 7.9669 8.2186 8.2193 8.3900 8.3905 9.5908 9.5908 k = 0.2188 0.1668 0.8246 ( 4586 PWs) bands (ev): -7.7390 -7.7388 -7.7017 -7.7011 -7.4834 -7.4831 -7.4469 -7.4455 -3.5517 -3.5176 -3.5120 -3.5079 -2.9545 -2.9085 -2.8918 -2.8677 -2.8505 -2.8357 -0.7380 -0.7354 -0.5821 -0.5796 -0.3094 -0.3069 0.9413 0.9505 2.2276 2.2402 2.4747 2.4979 2.7189 2.7220 2.8296 2.8436 3.2634 3.2951 3.4389 3.4667 3.6394 3.6453 3.9024 3.9024 8.0167 8.0176 8.2264 8.2274 8.3415 8.3417 9.5933 9.5933 k = 0.2344 0.1787 0.8246 ( 4594 PWs) bands (ev): -7.7389 -7.7387 -7.7017 -7.7010 -7.4835 -7.4832 -7.4470 -7.4455 -3.5519 -3.5169 -3.5125 -3.5079 -2.9549 -2.9078 -2.8924 -2.8669 -2.8516 -2.8359 -0.7268 -0.7242 -0.5799 -0.5773 -0.3246 -0.3221 0.9334 0.9427 2.2460 2.2595 2.4880 2.5120 2.7062 2.7097 2.8291 2.8437 3.2720 3.3130 3.4122 3.4489 3.6395 3.6455 3.8979 3.8980 8.0576 8.0587 8.2310 8.2324 8.3016 8.3019 9.5948 9.5948 k = 0.2500 0.1906 0.8246 ( 4600 PWs) bands (ev): -7.7389 -7.7387 -7.7017 -7.7010 -7.4835 -7.4832 -7.4470 -7.4455 -3.5520 -3.5166 -3.5127 -3.5080 -2.9551 -2.9076 -2.8926 -2.8666 -2.8519 -2.8360 -0.7229 -0.7203 -0.5792 -0.5765 -0.3298 -0.3274 0.9307 0.9401 2.2524 2.2663 2.4926 2.5168 2.7017 2.7054 2.8289 2.8438 3.2754 3.3219 3.4003 3.4424 3.6396 3.6456 3.8964 3.8965 8.0750 8.0761 8.2324 8.2342 8.2845 8.2852 9.5953 9.5953 Writing output data file Al2CdS4.save init_run : 5.18s CPU 12.49s WALL ( 1 calls) electrons : 1018.70s CPU 1034.21s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.52s CPU 2.01s WALL ( 1 calls) Called by electrons: c_bands : 1018.67s CPU 1033.79s WALL ( 1 calls) v_of_rho : 0.17s CPU 1.15s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.15s CPU 0.74s WALL ( 1 calls) newd : 1.34s CPU 1.70s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.09s WALL ( 285 calls) cegterg : 966.85s CPU 979.41s WALL ( 827 calls) Called by sum_band: Called by *egterg: h_psi : 574.66s CPU 589.39s WALL ( 14757 calls) s_psi : 57.83s CPU 58.02s WALL ( 14757 calls) g_psi : 0.70s CPU 0.72s WALL ( 13645 calls) cdiaghg : 256.35s CPU 254.37s WALL ( 13930 calls) cegterg:over : 59.30s CPU 56.27s WALL ( 13645 calls) cegterg:upda : 11.11s CPU 15.45s WALL ( 13645 calls) cegterg:last : 9.41s CPU 10.28s WALL ( 2088 calls) Called by h_psi: h_psi:vloc : 466.67s CPU 479.04s WALL ( 14757 calls) h_psi:vnl : 107.74s CPU 109.58s WALL ( 14757 calls) add_vuspsi : 41.39s CPU 46.74s WALL ( 14757 calls) General routines calbec : 66.26s CPU 62.67s WALL ( 14757 calls) fft : 0.37s CPU 1.48s WALL ( 19 calls) ffts : 0.03s CPU 0.24s WALL ( 4 calls) fftw : 393.59s CPU 398.57s WALL ( 1223336 calls) interpolate : 0.12s CPU 0.33s WALL ( 4 calls) davcio : 0.03s CPU 0.85s WALL ( 570 calls) Parallel routines fft_scatter : 230.63s CPU 231.63s WALL ( 1223359 calls) PWSCF : 17m47.94s CPU 19m 4.33s WALL This run was terminated on: 21:26: 3 23Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=