Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:48:18 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./ZnH8xN2Clx2.save/ file Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 90 51 14 2579 1114 171 Max 91 52 15 2581 1128 174 Sum 3259 1869 539 92875 40337 6233 bravais-lattice index = 14 lattice parameter (alat) = 11.3205 a.u. unit-cell volume = 955.9800 (a.u.)^3 number of atoms/cell = 15 number of atomic types = 4 number of electrons = 54.00 number of Kohn-Sham states= 64 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.320488 celldm(2)= 1.000000 celldm(3)= 0.689420 celldm(4)= 0.200901 celldm(5)= 0.200901 celldm(6)= 0.126048 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.126048 0.992024 0.000000 ) a(3) = ( 0.138505 0.122020 0.664249 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.127061 -0.185173 ) b(2) = ( 0.000000 1.008040 -0.185173 ) b(3) = ( 0.000000 0.000000 1.505459 ) PseudoPot. # 1 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 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 Zn read from file: /users/gautes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8d14e5a70806ad8c3d477ea097862760 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 1201 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. # 4 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential H 1.00 1.00790 H( 1.00) Cl 7.00 35.45300 Cl( 1.00) Zn 12.00 65.40900 Zn( 1.00) N 5.00 14.00670 N( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 270 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037037 k( 2) = ( 0.0135135 0.0119051 -0.0050047), wk = 0.0037037 k( 3) = ( 0.0270270 0.0238102 -0.0100093), wk = 0.0037037 k( 4) = ( 0.0405405 0.0357154 -0.0150140), wk = 0.0037037 k( 5) = ( 0.0540540 0.0476205 -0.0200187), wk = 0.0037037 k( 6) = ( 0.0675676 0.0595256 -0.0250234), wk = 0.0037037 k( 7) = ( 0.0810811 0.0714307 -0.0300280), wk = 0.0037037 k( 8) = ( 0.0945946 0.0833358 -0.0350327), wk = 0.0037037 k( 9) = ( 0.1081081 0.0952410 -0.0400374), wk = 0.0037037 k( 10) = ( 0.1216216 0.1071461 -0.0450420), wk = 0.0037037 k( 11) = ( 0.1351351 0.1190512 -0.0500467), wk = 0.0037037 k( 12) = ( 0.1486486 0.1309563 -0.0550514), wk = 0.0037037 k( 13) = ( 0.1621622 0.1428614 -0.0600560), wk = 0.0037037 k( 14) = ( 0.1756757 0.1547666 -0.0650607), wk = 0.0037037 k( 15) = ( 0.1891892 0.1666717 -0.0700654), wk = 0.0037037 k( 16) = ( 0.2027027 0.1785768 -0.0750701), wk = 0.0037037 k( 17) = ( 0.2162162 0.1904819 -0.0800747), wk = 0.0037037 k( 18) = ( 0.2297297 0.2023870 -0.0850794), wk = 0.0037037 k( 19) = ( 0.2432432 0.2142922 -0.0900841), wk = 0.0037037 k( 20) = ( 0.2567568 0.2261973 -0.0950887), wk = 0.0037037 k( 21) = ( 0.2702703 0.2381024 -0.1000934), wk = 0.0037037 k( 22) = ( 0.2837838 0.2500075 -0.1050981), wk = 0.0037037 k( 23) = ( 0.2972973 0.2619126 -0.1101027), wk = 0.0037037 k( 24) = ( 0.3108108 0.2738178 -0.1151074), wk = 0.0037037 k( 25) = ( 0.3243243 0.2857229 -0.1201121), wk = 0.0037037 k( 26) = ( 0.3378378 0.2976280 -0.1251168), wk = 0.0037037 k( 27) = ( 0.3513514 0.3095331 -0.1301214), wk = 0.0037037 k( 28) = ( 0.3648649 0.3214382 -0.1351261), wk = 0.0037037 k( 29) = ( 0.3783784 0.3333434 -0.1401308), wk = 0.0037037 k( 30) = ( 0.3918919 0.3452485 -0.1451354), wk = 0.0037037 k( 31) = ( 0.4054054 0.3571536 -0.1501401), wk = 0.0037037 k( 32) = ( 0.4189189 0.3690587 -0.1551448), wk = 0.0037037 k( 33) = ( 0.4324324 0.3809638 -0.1601494), wk = 0.0037037 k( 34) = ( 0.4459459 0.3928690 -0.1651541), wk = 0.0037037 k( 35) = ( 0.4594595 0.4047741 -0.1701588), wk = 0.0037037 k( 36) = ( 0.4729730 0.4166792 -0.1751635), wk = 0.0037037 k( 37) = ( 0.4864865 0.4285843 -0.1801681), wk = 0.0037037 k( 38) = ( 0.5000000 0.4404894 -0.1851728), wk = 0.0037037 k( 39) = ( 0.5000000 0.4404894 -0.1851728), wk = 0.0037037 k( 40) = ( 0.5038175 0.4438526 -0.1668645), wk = 0.0037037 k( 41) = ( 0.5076350 0.4472157 -0.1485562), wk = 0.0037037 k( 42) = ( 0.5114526 0.4505789 -0.1302480), wk = 0.0037037 k( 43) = ( 0.5152701 0.4539421 -0.1119397), wk = 0.0037037 k( 44) = ( 0.5190876 0.4573052 -0.0936314), wk = 0.0037037 k( 45) = ( 0.5229051 0.4606684 -0.0753231), wk = 0.0037037 k( 46) = ( 0.5267226 0.4640315 -0.0570149), wk = 0.0037037 k( 47) = ( 0.5305402 0.4673947 -0.0387066), wk = 0.0037037 k( 48) = ( 0.5343577 0.4707578 -0.0203983), wk = 0.0037037 k( 49) = ( 0.5381752 0.4741210 -0.0020900), wk = 0.0037037 k( 50) = ( 0.5419927 0.4774841 0.0162183), wk = 0.0037037 k( 51) = ( 0.5458103 0.4808473 0.0345265), wk = 0.0037037 k( 52) = ( 0.5496278 0.4842104 0.0528348), wk = 0.0037037 k( 53) = ( 0.5534453 0.4875736 0.0711431), wk = 0.0037037 k( 54) = ( 0.5572628 0.4909368 0.0894514), wk = 0.0037037 k( 55) = ( 0.5610803 0.4942999 0.1077596), wk = 0.0037037 k( 56) = ( 0.5648979 0.4976631 0.1260679), wk = 0.0037037 k( 57) = ( 0.5687154 0.5010262 0.1443762), wk = 0.0037037 k( 58) = ( 0.5725329 0.5043894 0.1626845), wk = 0.0037037 k( 59) = ( 0.5763504 0.5077525 0.1809927), wk = 0.0037037 k( 60) = ( 0.5801679 0.5111157 0.1993010), wk = 0.0037037 k( 61) = ( 0.5839855 0.5144788 0.2176093), wk = 0.0037037 k( 62) = ( 0.5878030 0.5178420 0.2359176), wk = 0.0037037 k( 63) = ( 0.5916205 0.5212052 0.2542259), wk = 0.0037037 k( 64) = ( 0.5954380 0.5245683 0.2725341), wk = 0.0037037 k( 65) = ( 0.5992555 0.5279315 0.2908424), wk = 0.0037037 k( 66) = ( 0.6030731 0.5312946 0.3091507), wk = 0.0037037 k( 67) = ( 0.6068906 0.5346578 0.3274590), wk = 0.0037037 k( 68) = ( 0.6107081 0.5380209 0.3457672), wk = 0.0037037 k( 69) = ( 0.6145256 0.5413841 0.3640755), wk = 0.0037037 k( 70) = ( 0.6183431 0.5447472 0.3823838), wk = 0.0037037 k( 71) = ( 0.6183431 0.5447472 0.3823838), wk = 0.0037037 k( 72) = ( 0.6092398 0.5367274 0.3966279), wk = 0.0037037 k( 73) = ( 0.6001365 0.5287076 0.4108719), wk = 0.0037037 k( 74) = ( 0.5910332 0.5206877 0.4251160), wk = 0.0037037 k( 75) = ( 0.5819299 0.5126679 0.4393600), wk = 0.0037037 k( 76) = ( 0.5728266 0.5046481 0.4536041), wk = 0.0037037 k( 77) = ( 0.5637232 0.4966283 0.4678482), wk = 0.0037037 k( 78) = ( 0.5546199 0.4886084 0.4820922), wk = 0.0037037 k( 79) = ( 0.5455166 0.4805886 0.4963363), wk = 0.0037037 k( 80) = ( 0.5364133 0.4725688 0.5105803), wk = 0.0037037 k( 81) = ( 0.5273100 0.4645489 0.5248244), wk = 0.0037037 k( 82) = ( 0.5182066 0.4565291 0.5390685), wk = 0.0037037 k( 83) = ( 0.5091033 0.4485093 0.5533125), wk = 0.0037037 k( 84) = ( 0.5000000 0.4404894 0.5675566), wk = 0.0037037 k( 85) = ( 0.5000000 0.4404894 0.5675566), wk = 0.0037037 k( 86) = ( 0.5125232 0.4262743 0.5675566), wk = 0.0037037 k( 87) = ( 0.5250464 0.4120593 0.5675566), wk = 0.0037037 k( 88) = ( 0.5375696 0.3978442 0.5675566), wk = 0.0037037 k( 89) = ( 0.5500928 0.3836291 0.5675566), wk = 0.0037037 k( 90) = ( 0.5626159 0.3694140 0.5675566), wk = 0.0037037 k( 91) = ( 0.5751391 0.3551989 0.5675566), wk = 0.0037037 k( 92) = ( 0.5876623 0.3409838 0.5675566), wk = 0.0037037 k( 93) = ( 0.6001855 0.3267688 0.5675566), wk = 0.0037037 k( 94) = ( 0.6127087 0.3125537 0.5675566), wk = 0.0037037 k( 95) = ( 0.6252319 0.2983386 0.5675566), wk = 0.0037037 k( 96) = ( 0.6377551 0.2841235 0.5675566), wk = 0.0037037 k( 97) = ( 0.6502783 0.2699084 0.5675566), wk = 0.0037037 k( 98) = ( 0.6628015 0.2556933 0.5675566), wk = 0.0037037 k( 99) = ( 0.3371985 -0.3827544 0.7527294), wk = 0.0037037 k( 100) = ( 0.3247097 -0.3685783 0.7527294), wk = 0.0037037 k( 101) = ( 0.3122209 -0.3544022 0.7527294), wk = 0.0037037 k( 102) = ( 0.2997320 -0.3402261 0.7527294), wk = 0.0037037 k( 103) = ( 0.2872432 -0.3260501 0.7527294), wk = 0.0037037 k( 104) = ( 0.2747544 -0.3118740 0.7527294), wk = 0.0037037 k( 105) = ( 0.2622655 -0.2976979 0.7527294), wk = 0.0037037 k( 106) = ( 0.2497767 -0.2835218 0.7527294), wk = 0.0037037 k( 107) = ( 0.2372879 -0.2693457 0.7527294), wk = 0.0037037 k( 108) = ( 0.2247990 -0.2551696 0.7527294), wk = 0.0037037 k( 109) = ( 0.2123102 -0.2409935 0.7527294), wk = 0.0037037 k( 110) = ( 0.1998214 -0.2268174 0.7527294), wk = 0.0037037 k( 111) = ( 0.1873325 -0.2126413 0.7527294), wk = 0.0037037 k( 112) = ( 0.1748437 -0.1984652 0.7527294), wk = 0.0037037 k( 113) = ( 0.1623549 -0.1842892 0.7527294), wk = 0.0037037 k( 114) = ( 0.1498660 -0.1701131 0.7527294), wk = 0.0037037 k( 115) = ( 0.1373772 -0.1559370 0.7527294), wk = 0.0037037 k( 116) = ( 0.1248883 -0.1417609 0.7527294), wk = 0.0037037 k( 117) = ( 0.1123995 -0.1275848 0.7527294), wk = 0.0037037 k( 118) = ( 0.0999107 -0.1134087 0.7527294), wk = 0.0037037 k( 119) = ( 0.0874218 -0.0992326 0.7527294), wk = 0.0037037 k( 120) = ( 0.0749330 -0.0850565 0.7527294), wk = 0.0037037 k( 121) = ( 0.0624442 -0.0708805 0.7527294), wk = 0.0037037 k( 122) = ( 0.0499553 -0.0567044 0.7527294), wk = 0.0037037 k( 123) = ( 0.0374665 -0.0425283 0.7527294), wk = 0.0037037 k( 124) = ( 0.0249777 -0.0283522 0.7527294), wk = 0.0037037 k( 125) = ( 0.0124888 -0.0141761 0.7527294), wk = 0.0037037 k( 126) = ( 0.0000000 0.0000000 0.7527294), wk = 0.0037037 k( 127) = ( 0.0000000 0.0000000 0.7527294), wk = 0.0037037 k( 128) = ( 0.0141354 0.0124530 0.7527294), wk = 0.0037037 k( 129) = ( 0.0282709 0.0249060 0.7527294), wk = 0.0037037 k( 130) = ( 0.0424063 0.0373591 0.7527294), wk = 0.0037037 k( 131) = ( 0.0565418 0.0498121 0.7527294), wk = 0.0037037 k( 132) = ( 0.0706772 0.0622651 0.7527294), wk = 0.0037037 k( 133) = ( 0.0848126 0.0747181 0.7527294), wk = 0.0037037 k( 134) = ( 0.0989481 0.0871712 0.7527294), wk = 0.0037037 k( 135) = ( 0.1130835 0.0996242 0.7527294), wk = 0.0037037 k( 136) = ( 0.1272189 0.1120772 0.7527294), wk = 0.0037037 k( 137) = ( 0.1413544 0.1245302 0.7527294), wk = 0.0037037 k( 138) = ( 0.1554898 0.1369833 0.7527294), wk = 0.0037037 k( 139) = ( 0.1696253 0.1494363 0.7527294), wk = 0.0037037 k( 140) = ( 0.1837607 0.1618893 0.7527294), wk = 0.0037037 k( 141) = ( 0.1978961 0.1743423 0.7527294), wk = 0.0037037 k( 142) = ( 0.2120316 0.1867953 0.7527294), wk = 0.0037037 k( 143) = ( 0.2261670 0.1992484 0.7527294), wk = 0.0037037 k( 144) = ( 0.2403025 0.2117014 0.7527294), wk = 0.0037037 k( 145) = ( 0.2544379 0.2241544 0.7527294), wk = 0.0037037 k( 146) = ( 0.2685733 0.2366074 0.7527294), wk = 0.0037037 k( 147) = ( 0.2827088 0.2490605 0.7527294), wk = 0.0037037 k( 148) = ( 0.2968442 0.2615135 0.7527294), wk = 0.0037037 k( 149) = ( 0.3109797 0.2739665 0.7527294), wk = 0.0037037 k( 150) = ( 0.3251151 0.2864195 0.7527294), wk = 0.0037037 k( 151) = ( 0.3392505 0.2988725 0.7527294), wk = 0.0037037 k( 152) = ( 0.3533860 0.3113256 0.7527294), wk = 0.0037037 k( 153) = ( 0.3675214 0.3237786 0.7527294), wk = 0.0037037 k( 154) = ( 0.3816568 0.3362316 0.7527294), wk = 0.0037037 k( 155) = ( 0.5000000 0.4404894 -0.1851728), wk = 0.0037037 k( 156) = ( 0.5102464 0.4288587 -0.1851728), wk = 0.0037037 k( 157) = ( 0.5204928 0.4172280 -0.1851728), wk = 0.0037037 k( 158) = ( 0.5307392 0.4055973 -0.1851728), wk = 0.0037037 k( 159) = ( 0.5409856 0.3939666 -0.1851728), wk = 0.0037037 k( 160) = ( 0.4590144 -0.5210277 0.0000000), wk = 0.0037037 k( 161) = ( 0.4466086 -0.5069459 0.0000000), wk = 0.0037037 k( 162) = ( 0.4342028 -0.4928640 0.0000000), wk = 0.0037037 k( 163) = ( 0.4217970 -0.4787822 0.0000000), wk = 0.0037037 k( 164) = ( 0.4093912 -0.4647004 0.0000000), wk = 0.0037037 k( 165) = ( 0.3969854 -0.4506186 0.0000000), wk = 0.0037037 k( 166) = ( 0.3845796 -0.4365367 0.0000000), wk = 0.0037037 k( 167) = ( 0.3721738 -0.4224549 0.0000000), wk = 0.0037037 k( 168) = ( 0.3597680 -0.4083731 0.0000000), wk = 0.0037037 k( 169) = ( 0.3473622 -0.3942912 0.0000000), wk = 0.0037037 k( 170) = ( 0.3349565 -0.3802094 0.0000000), wk = 0.0037037 k( 171) = ( 0.3225507 -0.3661276 0.0000000), wk = 0.0037037 k( 172) = ( 0.3101449 -0.3520458 0.0000000), wk = 0.0037037 k( 173) = ( 0.2977391 -0.3379639 0.0000000), wk = 0.0037037 k( 174) = ( 0.2853333 -0.3238821 0.0000000), wk = 0.0037037 k( 175) = ( 0.2729275 -0.3098003 0.0000000), wk = 0.0037037 k( 176) = ( 0.2605217 -0.2957184 0.0000000), wk = 0.0037037 k( 177) = ( 0.2481159 -0.2816366 0.0000000), wk = 0.0037037 k( 178) = ( 0.2357101 -0.2675548 0.0000000), wk = 0.0037037 k( 179) = ( 0.2233043 -0.2534729 0.0000000), wk = 0.0037037 k( 180) = ( 0.2108985 -0.2393911 0.0000000), wk = 0.0037037 k( 181) = ( 0.1984927 -0.2253093 0.0000000), wk = 0.0037037 k( 182) = ( 0.1860869 -0.2112275 0.0000000), wk = 0.0037037 k( 183) = ( 0.1736811 -0.1971456 0.0000000), wk = 0.0037037 k( 184) = ( 0.1612753 -0.1830638 0.0000000), wk = 0.0037037 k( 185) = ( 0.1488695 -0.1689820 0.0000000), wk = 0.0037037 k( 186) = ( 0.1364637 -0.1549001 0.0000000), wk = 0.0037037 k( 187) = ( 0.1240580 -0.1408183 0.0000000), wk = 0.0037037 k( 188) = ( 0.1116522 -0.1267365 0.0000000), wk = 0.0037037 k( 189) = ( 0.0992464 -0.1126546 0.0000000), wk = 0.0037037 k( 190) = ( 0.0868406 -0.0985728 0.0000000), wk = 0.0037037 k( 191) = ( 0.0744348 -0.0844910 0.0000000), wk = 0.0037037 k( 192) = ( 0.0620290 -0.0704091 0.0000000), wk = 0.0037037 k( 193) = ( 0.0496232 -0.0563273 0.0000000), wk = 0.0037037 k( 194) = ( 0.0372174 -0.0422455 0.0000000), wk = 0.0037037 k( 195) = ( 0.0248116 -0.0281637 0.0000000), wk = 0.0037037 k( 196) = ( 0.0124058 -0.0140818 0.0000000), wk = 0.0037037 k( 197) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037037 k( 198) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037037 k( 199) = ( 0.0185185 -0.0023530 -0.0034291), wk = 0.0037037 k( 200) = ( 0.0370370 -0.0047060 -0.0068583), wk = 0.0037037 k( 201) = ( 0.0555556 -0.0070589 -0.0102874), wk = 0.0037037 k( 202) = ( 0.0740741 -0.0094119 -0.0137165), wk = 0.0037037 k( 203) = ( 0.0925926 -0.0117649 -0.0171456), wk = 0.0037037 k( 204) = ( 0.1111111 -0.0141179 -0.0205748), wk = 0.0037037 k( 205) = ( 0.1296296 -0.0164709 -0.0240039), wk = 0.0037037 k( 206) = ( 0.1481482 -0.0188239 -0.0274330), wk = 0.0037037 k( 207) = ( 0.1666667 -0.0211768 -0.0308621), wk = 0.0037037 k( 208) = ( 0.1851852 -0.0235298 -0.0342913), wk = 0.0037037 k( 209) = ( 0.2037037 -0.0258828 -0.0377204), wk = 0.0037037 k( 210) = ( 0.2222222 -0.0282358 -0.0411495), wk = 0.0037037 k( 211) = ( 0.2407407 -0.0305888 -0.0445786), wk = 0.0037037 k( 212) = ( 0.2592593 -0.0329418 -0.0480078), wk = 0.0037037 k( 213) = ( 0.2777778 -0.0352947 -0.0514369), wk = 0.0037037 k( 214) = ( 0.2962963 -0.0376477 -0.0548660), wk = 0.0037037 k( 215) = ( 0.3148148 -0.0400007 -0.0582951), wk = 0.0037037 k( 216) = ( 0.3333333 -0.0423537 -0.0617243), wk = 0.0037037 k( 217) = ( 0.3518519 -0.0447067 -0.0651534), wk = 0.0037037 k( 218) = ( 0.3703704 -0.0470597 -0.0685825), wk = 0.0037037 k( 219) = ( 0.3888889 -0.0494126 -0.0720116), wk = 0.0037037 k( 220) = ( 0.4074074 -0.0517656 -0.0754408), wk = 0.0037037 k( 221) = ( 0.4259259 -0.0541186 -0.0788699), wk = 0.0037037 k( 222) = ( 0.4444444 -0.0564716 -0.0822990), wk = 0.0037037 k( 223) = ( 0.4629630 -0.0588246 -0.0857281), wk = 0.0037037 k( 224) = ( 0.4814815 -0.0611776 -0.0891573), wk = 0.0037037 k( 225) = ( 0.5000000 -0.0635305 -0.0925864), wk = 0.0037037 k( 226) = ( 0.5000000 -0.0635305 0.6601430), wk = 0.0037037 k( 227) = ( 0.4886364 -0.0620867 0.6451397), wk = 0.0037037 k( 228) = ( 0.4772727 -0.0606428 0.6301365), wk = 0.0037037 k( 229) = ( 0.4659091 -0.0591989 0.6151332), wk = 0.0037037 k( 230) = ( 0.4545455 -0.0577550 0.6001300), wk = 0.0037037 k( 231) = ( 0.4431818 -0.0563112 0.5851267), wk = 0.0037037 k( 232) = ( 0.4318182 -0.0548673 0.5701235), wk = 0.0037037 k( 233) = ( 0.4204545 -0.0534234 0.5551202), wk = 0.0037037 k( 234) = ( 0.4090909 -0.0519795 0.5401170), wk = 0.0037037 k( 235) = ( 0.3977273 -0.0505357 0.5251137), wk = 0.0037037 k( 236) = ( 0.3863636 -0.0490918 0.5101105), wk = 0.0037037 k( 237) = ( 0.3750000 -0.0476479 0.4951072), wk = 0.0037037 k( 238) = ( 0.3636364 -0.0462040 0.4801040), wk = 0.0037037 k( 239) = ( 0.3522727 -0.0447602 0.4651007), wk = 0.0037037 k( 240) = ( 0.3409091 -0.0433163 0.4500975), wk = 0.0037037 k( 241) = ( 0.3295455 -0.0418724 0.4350942), wk = 0.0037037 k( 242) = ( 0.3181818 -0.0404285 0.4200910), wk = 0.0037037 k( 243) = ( 0.3068182 -0.0389846 0.4050877), wk = 0.0037037 k( 244) = ( 0.2954545 -0.0375408 0.3900845), wk = 0.0037037 k( 245) = ( 0.2840909 -0.0360969 0.3750812), wk = 0.0037037 k( 246) = ( 0.2727273 -0.0346530 0.3600780), wk = 0.0037037 k( 247) = ( 0.2613636 -0.0332091 0.3450747), wk = 0.0037037 k( 248) = ( 0.2500000 -0.0317653 0.3300715), wk = 0.0037037 k( 249) = ( 0.2386364 -0.0303214 0.3150682), wk = 0.0037037 k( 250) = ( 0.2272727 -0.0288775 0.3000650), wk = 0.0037037 k( 251) = ( 0.2159091 -0.0274336 0.2850617), wk = 0.0037037 k( 252) = ( 0.2045454 -0.0259898 0.2700585), wk = 0.0037037 k( 253) = ( 0.1931818 -0.0245459 0.2550552), wk = 0.0037037 k( 254) = ( 0.1818182 -0.0231020 0.2400520), wk = 0.0037037 k( 255) = ( 0.1704546 -0.0216581 0.2250488), wk = 0.0037037 k( 256) = ( 0.1590909 -0.0202143 0.2100455), wk = 0.0037037 k( 257) = ( 0.1477273 -0.0187704 0.1950422), wk = 0.0037037 k( 258) = ( 0.1363636 -0.0173265 0.1800390), wk = 0.0037037 k( 259) = ( 0.1250000 -0.0158826 0.1650357), wk = 0.0037037 k( 260) = ( 0.1136364 -0.0144388 0.1500325), wk = 0.0037037 k( 261) = ( 0.1022727 -0.0129949 0.1350293), wk = 0.0037037 k( 262) = ( 0.0909091 -0.0115510 0.1200260), wk = 0.0037037 k( 263) = ( 0.0795455 -0.0101071 0.1050227), wk = 0.0037037 k( 264) = ( 0.0681818 -0.0086633 0.0900195), wk = 0.0037037 k( 265) = ( 0.0568182 -0.0072194 0.0750162), wk = 0.0037037 k( 266) = ( 0.0454546 -0.0057755 0.0600130), wk = 0.0037037 k( 267) = ( 0.0340909 -0.0043316 0.0450098), wk = 0.0037037 k( 268) = ( 0.0227273 -0.0028878 0.0300065), wk = 0.0037037 k( 269) = ( 0.0113636 -0.0014439 0.0150033), wk = 0.0037037 k( 270) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037037 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037037 k( 2) = ( 0.0135135 0.0135135 -0.0000000), wk = 0.0037037 k( 3) = ( 0.0270270 0.0270270 -0.0000000), wk = 0.0037037 k( 4) = ( 0.0405405 0.0405405 -0.0000000), wk = 0.0037037 k( 5) = ( 0.0540540 0.0540540 0.0000000), wk = 0.0037037 k( 6) = ( 0.0675676 0.0675676 -0.0000000), wk = 0.0037037 k( 7) = ( 0.0810811 0.0810811 -0.0000000), wk = 0.0037037 k( 8) = ( 0.0945946 0.0945946 -0.0000000), wk = 0.0037037 k( 9) = ( 0.1081081 0.1081081 -0.0000000), wk = 0.0037037 k( 10) = ( 0.1216216 0.1216216 -0.0000000), wk = 0.0037037 k( 11) = ( 0.1351351 0.1351351 -0.0000000), wk = 0.0037037 k( 12) = ( 0.1486486 0.1486486 0.0000000), wk = 0.0037037 k( 13) = ( 0.1621622 0.1621622 -0.0000000), wk = 0.0037037 k( 14) = ( 0.1756757 0.1756757 0.0000000), wk = 0.0037037 k( 15) = ( 0.1891892 0.1891892 0.0000000), wk = 0.0037037 k( 16) = ( 0.2027027 0.2027027 -0.0000000), wk = 0.0037037 k( 17) = ( 0.2162162 0.2162162 -0.0000000), wk = 0.0037037 k( 18) = ( 0.2297297 0.2297297 0.0000000), wk = 0.0037037 k( 19) = ( 0.2432432 0.2432432 -0.0000000), wk = 0.0037037 k( 20) = ( 0.2567568 0.2567568 0.0000000), wk = 0.0037037 k( 21) = ( 0.2702703 0.2702703 0.0000000), wk = 0.0037037 k( 22) = ( 0.2837838 0.2837838 -0.0000000), wk = 0.0037037 k( 23) = ( 0.2972973 0.2972973 0.0000000), wk = 0.0037037 k( 24) = ( 0.3108108 0.3108108 -0.0000000), wk = 0.0037037 k( 25) = ( 0.3243243 0.3243243 -0.0000000), wk = 0.0037037 k( 26) = ( 0.3378378 0.3378378 0.0000000), wk = 0.0037037 k( 27) = ( 0.3513514 0.3513514 0.0000000), wk = 0.0037037 k( 28) = ( 0.3648649 0.3648649 0.0000000), wk = 0.0037037 k( 29) = ( 0.3783784 0.3783784 0.0000000), wk = 0.0037037 k( 30) = ( 0.3918919 0.3918919 -0.0000000), wk = 0.0037037 k( 31) = ( 0.4054054 0.4054054 -0.0000000), wk = 0.0037037 k( 32) = ( 0.4189189 0.4189189 0.0000000), wk = 0.0037037 k( 33) = ( 0.4324324 0.4324324 -0.0000000), wk = 0.0037037 k( 34) = ( 0.4459459 0.4459459 0.0000000), wk = 0.0037037 k( 35) = ( 0.4594595 0.4594595 0.0000000), wk = 0.0037037 k( 36) = ( 0.4729730 0.4729730 -0.0000000), wk = 0.0037037 k( 37) = ( 0.4864865 0.4864865 -0.0000000), wk = 0.0037037 k( 38) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0037037 k( 39) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0037037 k( 40) = ( 0.5038175 0.5038175 0.0131004), wk = 0.0037037 k( 41) = ( 0.5076350 0.5076350 0.0262008), wk = 0.0037037 k( 42) = ( 0.5114526 0.5114526 0.0393011), wk = 0.0037037 k( 43) = ( 0.5152701 0.5152701 0.0524015), wk = 0.0037037 k( 44) = ( 0.5190876 0.5190876 0.0655019), wk = 0.0037037 k( 45) = ( 0.5229051 0.5229051 0.0786023), wk = 0.0037037 k( 46) = ( 0.5267226 0.5267226 0.0917026), wk = 0.0037037 k( 47) = ( 0.5305402 0.5305402 0.1048030), wk = 0.0037037 k( 48) = ( 0.5343577 0.5343577 0.1179034), wk = 0.0037037 k( 49) = ( 0.5381752 0.5381752 0.1310038), wk = 0.0037037 k( 50) = ( 0.5419927 0.5419927 0.1441042), wk = 0.0037037 k( 51) = ( 0.5458103 0.5458102 0.1572045), wk = 0.0037037 k( 52) = ( 0.5496278 0.5496278 0.1703049), wk = 0.0037037 k( 53) = ( 0.5534453 0.5534453 0.1834053), wk = 0.0037037 k( 54) = ( 0.5572628 0.5572628 0.1965057), wk = 0.0037037 k( 55) = ( 0.5610803 0.5610803 0.2096060), wk = 0.0037037 k( 56) = ( 0.5648979 0.5648979 0.2227064), wk = 0.0037037 k( 57) = ( 0.5687154 0.5687154 0.2358068), wk = 0.0037037 k( 58) = ( 0.5725329 0.5725329 0.2489072), wk = 0.0037037 k( 59) = ( 0.5763504 0.5763504 0.2620076), wk = 0.0037037 k( 60) = ( 0.5801679 0.5801679 0.2751079), wk = 0.0037037 k( 61) = ( 0.5839855 0.5839855 0.2882083), wk = 0.0037037 k( 62) = ( 0.5878030 0.5878030 0.3013087), wk = 0.0037037 k( 63) = ( 0.5916205 0.5916205 0.3144091), wk = 0.0037037 k( 64) = ( 0.5954380 0.5954380 0.3275094), wk = 0.0037037 k( 65) = ( 0.5992555 0.5992555 0.3406098), wk = 0.0037037 k( 66) = ( 0.6030731 0.6030731 0.3537102), wk = 0.0037037 k( 67) = ( 0.6068906 0.6068906 0.3668106), wk = 0.0037037 k( 68) = ( 0.6107081 0.6107081 0.3799110), wk = 0.0037037 k( 69) = ( 0.6145256 0.6145256 0.3930113), wk = 0.0037037 k( 70) = ( 0.6183431 0.6183431 0.4061117), wk = 0.0037037 k( 71) = ( 0.6183431 0.6183431 0.4061117), wk = 0.0037037 k( 72) = ( 0.6092398 0.6092398 0.4133339), wk = 0.0037037 k( 73) = ( 0.6001365 0.6001365 0.4205561), wk = 0.0037037 k( 74) = ( 0.5910332 0.5910332 0.4277782), wk = 0.0037037 k( 75) = ( 0.5819299 0.5819299 0.4350004), wk = 0.0037037 k( 76) = ( 0.5728266 0.5728266 0.4422226), wk = 0.0037037 k( 77) = ( 0.5637232 0.5637232 0.4494448), wk = 0.0037037 k( 78) = ( 0.5546199 0.5546199 0.4566669), wk = 0.0037037 k( 79) = ( 0.5455166 0.5455166 0.4638891), wk = 0.0037037 k( 80) = ( 0.5364133 0.5364133 0.4711113), wk = 0.0037037 k( 81) = ( 0.5273100 0.5273100 0.4783335), wk = 0.0037037 k( 82) = ( 0.5182066 0.5182066 0.4855556), wk = 0.0037037 k( 83) = ( 0.5091033 0.5091033 0.4927778), wk = 0.0037037 k( 84) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037037 k( 85) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037037 k( 86) = ( 0.5125232 0.4874768 0.5000000), wk = 0.0037037 k( 87) = ( 0.5250464 0.4749536 0.5000000), wk = 0.0037037 k( 88) = ( 0.5375696 0.4624304 0.5000000), wk = 0.0037037 k( 89) = ( 0.5500928 0.4499072 0.5000000), wk = 0.0037037 k( 90) = ( 0.5626159 0.4373841 0.5000000), wk = 0.0037037 k( 91) = ( 0.5751391 0.4248609 0.5000000), wk = 0.0037037 k( 92) = ( 0.5876623 0.4123377 0.5000000), wk = 0.0037037 k( 93) = ( 0.6001855 0.3998145 0.5000000), wk = 0.0037037 k( 94) = ( 0.6127087 0.3872913 0.5000000), wk = 0.0037037 k( 95) = ( 0.6252319 0.3747681 0.5000000), wk = 0.0037037 k( 96) = ( 0.6377551 0.3622449 0.5000000), wk = 0.0037037 k( 97) = ( 0.6502783 0.3497217 0.5000000), wk = 0.0037037 k( 98) = ( 0.6628015 0.3371985 0.5000000), wk = 0.0037037 k( 99) = ( 0.3371985 -0.3371985 0.5000000), wk = 0.0037037 k( 100) = ( 0.3247097 -0.3247097 0.5000000), wk = 0.0037037 k( 101) = ( 0.3122209 -0.3122209 0.5000000), wk = 0.0037037 k( 102) = ( 0.2997320 -0.2997320 0.5000000), wk = 0.0037037 k( 103) = ( 0.2872432 -0.2872432 0.5000000), wk = 0.0037037 k( 104) = ( 0.2747544 -0.2747544 0.5000000), wk = 0.0037037 k( 105) = ( 0.2622655 -0.2622655 0.5000000), wk = 0.0037037 k( 106) = ( 0.2497767 -0.2497767 0.5000000), wk = 0.0037037 k( 107) = ( 0.2372879 -0.2372879 0.5000000), wk = 0.0037037 k( 108) = ( 0.2247990 -0.2247990 0.5000000), wk = 0.0037037 k( 109) = ( 0.2123102 -0.2123102 0.5000000), wk = 0.0037037 k( 110) = ( 0.1998214 -0.1998214 0.5000000), wk = 0.0037037 k( 111) = ( 0.1873325 -0.1873325 0.5000000), wk = 0.0037037 k( 112) = ( 0.1748437 -0.1748437 0.5000000), wk = 0.0037037 k( 113) = ( 0.1623549 -0.1623549 0.5000000), wk = 0.0037037 k( 114) = ( 0.1498660 -0.1498660 0.5000000), wk = 0.0037037 k( 115) = ( 0.1373772 -0.1373772 0.5000000), wk = 0.0037037 k( 116) = ( 0.1248883 -0.1248883 0.5000000), wk = 0.0037037 k( 117) = ( 0.1123995 -0.1123995 0.5000000), wk = 0.0037037 k( 118) = ( 0.0999107 -0.0999107 0.5000000), wk = 0.0037037 k( 119) = ( 0.0874218 -0.0874218 0.5000000), wk = 0.0037037 k( 120) = ( 0.0749330 -0.0749330 0.5000000), wk = 0.0037037 k( 121) = ( 0.0624442 -0.0624442 0.5000000), wk = 0.0037037 k( 122) = ( 0.0499553 -0.0499553 0.5000000), wk = 0.0037037 k( 123) = ( 0.0374665 -0.0374665 0.5000000), wk = 0.0037037 k( 124) = ( 0.0249777 -0.0249777 0.5000000), wk = 0.0037037 k( 125) = ( 0.0124888 -0.0124888 0.5000000), wk = 0.0037037 k( 126) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037037 k( 127) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037037 k( 128) = ( 0.0141354 0.0141354 0.5034773), wk = 0.0037037 k( 129) = ( 0.0282709 0.0282709 0.5069547), wk = 0.0037037 k( 130) = ( 0.0424063 0.0424063 0.5104320), wk = 0.0037037 k( 131) = ( 0.0565418 0.0565418 0.5139094), wk = 0.0037037 k( 132) = ( 0.0706772 0.0706772 0.5173867), wk = 0.0037037 k( 133) = ( 0.0848126 0.0848126 0.5208641), wk = 0.0037037 k( 134) = ( 0.0989481 0.0989481 0.5243414), wk = 0.0037037 k( 135) = ( 0.1130835 0.1130835 0.5278187), wk = 0.0037037 k( 136) = ( 0.1272189 0.1272189 0.5312961), wk = 0.0037037 k( 137) = ( 0.1413544 0.1413544 0.5347734), wk = 0.0037037 k( 138) = ( 0.1554898 0.1554898 0.5382508), wk = 0.0037037 k( 139) = ( 0.1696253 0.1696253 0.5417281), wk = 0.0037037 k( 140) = ( 0.1837607 0.1837607 0.5452055), wk = 0.0037037 k( 141) = ( 0.1978961 0.1978961 0.5486828), wk = 0.0037037 k( 142) = ( 0.2120316 0.2120316 0.5521601), wk = 0.0037037 k( 143) = ( 0.2261670 0.2261670 0.5556375), wk = 0.0037037 k( 144) = ( 0.2403025 0.2403025 0.5591148), wk = 0.0037037 k( 145) = ( 0.2544379 0.2544379 0.5625922), wk = 0.0037037 k( 146) = ( 0.2685733 0.2685733 0.5660695), wk = 0.0037037 k( 147) = ( 0.2827088 0.2827088 0.5695469), wk = 0.0037037 k( 148) = ( 0.2968442 0.2968442 0.5730242), wk = 0.0037037 k( 149) = ( 0.3109797 0.3109797 0.5765016), wk = 0.0037037 k( 150) = ( 0.3251151 0.3251151 0.5799789), wk = 0.0037037 k( 151) = ( 0.3392505 0.3392505 0.5834563), wk = 0.0037037 k( 152) = ( 0.3533860 0.3533860 0.5869336), wk = 0.0037037 k( 153) = ( 0.3675214 0.3675214 0.5904109), wk = 0.0037037 k( 154) = ( 0.3816568 0.3816568 0.5938883), wk = 0.0037037 k( 155) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0037037 k( 156) = ( 0.5102464 0.4897536 -0.0000000), wk = 0.0037037 k( 157) = ( 0.5204928 0.4795072 -0.0000000), wk = 0.0037037 k( 158) = ( 0.5307392 0.4692608 -0.0000000), wk = 0.0037037 k( 159) = ( 0.5409856 0.4590144 0.0000000), wk = 0.0037037 k( 160) = ( 0.4590144 -0.4590144 -0.0000000), wk = 0.0037037 k( 161) = ( 0.4466086 -0.4466086 -0.0000000), wk = 0.0037037 k( 162) = ( 0.4342028 -0.4342028 -0.0000000), wk = 0.0037037 k( 163) = ( 0.4217970 -0.4217970 -0.0000000), wk = 0.0037037 k( 164) = ( 0.4093912 -0.4093912 0.0000000), wk = 0.0037037 k( 165) = ( 0.3969854 -0.3969854 -0.0000000), wk = 0.0037037 k( 166) = ( 0.3845796 -0.3845796 0.0000000), wk = 0.0037037 k( 167) = ( 0.3721738 -0.3721738 -0.0000000), wk = 0.0037037 k( 168) = ( 0.3597680 -0.3597680 -0.0000000), wk = 0.0037037 k( 169) = ( 0.3473622 -0.3473622 0.0000000), wk = 0.0037037 k( 170) = ( 0.3349565 -0.3349564 -0.0000000), wk = 0.0037037 k( 171) = ( 0.3225507 -0.3225507 0.0000000), wk = 0.0037037 k( 172) = ( 0.3101449 -0.3101449 -0.0000000), wk = 0.0037037 k( 173) = ( 0.2977391 -0.2977391 -0.0000000), wk = 0.0037037 k( 174) = ( 0.2853333 -0.2853333 0.0000000), wk = 0.0037037 k( 175) = ( 0.2729275 -0.2729275 -0.0000000), wk = 0.0037037 k( 176) = ( 0.2605217 -0.2605217 -0.0000000), wk = 0.0037037 k( 177) = ( 0.2481159 -0.2481159 -0.0000000), wk = 0.0037037 k( 178) = ( 0.2357101 -0.2357101 0.0000000), wk = 0.0037037 k( 179) = ( 0.2233043 -0.2233043 0.0000000), wk = 0.0037037 k( 180) = ( 0.2108985 -0.2108985 -0.0000000), wk = 0.0037037 k( 181) = ( 0.1984927 -0.1984927 -0.0000000), wk = 0.0037037 k( 182) = ( 0.1860869 -0.1860869 -0.0000000), wk = 0.0037037 k( 183) = ( 0.1736811 -0.1736811 0.0000000), wk = 0.0037037 k( 184) = ( 0.1612753 -0.1612753 0.0000000), wk = 0.0037037 k( 185) = ( 0.1488695 -0.1488695 0.0000000), wk = 0.0037037 k( 186) = ( 0.1364637 -0.1364637 -0.0000000), wk = 0.0037037 k( 187) = ( 0.1240580 -0.1240580 -0.0000000), wk = 0.0037037 k( 188) = ( 0.1116522 -0.1116521 0.0000000), wk = 0.0037037 k( 189) = ( 0.0992464 -0.0992464 -0.0000000), wk = 0.0037037 k( 190) = ( 0.0868406 -0.0868406 0.0000000), wk = 0.0037037 k( 191) = ( 0.0744348 -0.0744348 0.0000000), wk = 0.0037037 k( 192) = ( 0.0620290 -0.0620290 -0.0000000), wk = 0.0037037 k( 193) = ( 0.0496232 -0.0496232 -0.0000000), wk = 0.0037037 k( 194) = ( 0.0372174 -0.0372174 -0.0000000), wk = 0.0037037 k( 195) = ( 0.0248116 -0.0248116 -0.0000000), wk = 0.0037037 k( 196) = ( 0.0124058 -0.0124058 0.0000000), wk = 0.0037037 k( 197) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037037 k( 198) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037037 k( 199) = ( 0.0185185 0.0000000 0.0000000), wk = 0.0037037 k( 200) = ( 0.0370370 0.0000000 0.0000000), wk = 0.0037037 k( 201) = ( 0.0555556 0.0000000 0.0000000), wk = 0.0037037 k( 202) = ( 0.0740741 0.0000000 -0.0000000), wk = 0.0037037 k( 203) = ( 0.0925926 0.0000000 0.0000000), wk = 0.0037037 k( 204) = ( 0.1111111 0.0000000 -0.0000000), wk = 0.0037037 k( 205) = ( 0.1296296 0.0000000 -0.0000000), wk = 0.0037037 k( 206) = ( 0.1481482 0.0000000 0.0000000), wk = 0.0037037 k( 207) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0037037 k( 208) = ( 0.1851852 -0.0000000 0.0000000), wk = 0.0037037 k( 209) = ( 0.2037037 0.0000000 -0.0000000), wk = 0.0037037 k( 210) = ( 0.2222222 0.0000000 -0.0000000), wk = 0.0037037 k( 211) = ( 0.2407407 0.0000000 0.0000000), wk = 0.0037037 k( 212) = ( 0.2592593 0.0000000 -0.0000000), wk = 0.0037037 k( 213) = ( 0.2777778 0.0000000 -0.0000000), wk = 0.0037037 k( 214) = ( 0.2962963 0.0000000 0.0000000), wk = 0.0037037 k( 215) = ( 0.3148148 -0.0000000 -0.0000000), wk = 0.0037037 k( 216) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0037037 k( 217) = ( 0.3518519 -0.0000000 -0.0000000), wk = 0.0037037 k( 218) = ( 0.3703704 0.0000000 0.0000000), wk = 0.0037037 k( 219) = ( 0.3888889 0.0000000 -0.0000000), wk = 0.0037037 k( 220) = ( 0.4074074 0.0000000 -0.0000000), wk = 0.0037037 k( 221) = ( 0.4259259 0.0000000 -0.0000000), wk = 0.0037037 k( 222) = ( 0.4444444 0.0000000 -0.0000000), wk = 0.0037037 k( 223) = ( 0.4629630 0.0000000 0.0000000), wk = 0.0037037 k( 224) = ( 0.4814815 0.0000000 0.0000000), wk = 0.0037037 k( 225) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0037037 k( 226) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0037037 k( 227) = ( 0.4886364 0.0000000 0.4886364), wk = 0.0037037 k( 228) = ( 0.4772727 0.0000000 0.4772727), wk = 0.0037037 k( 229) = ( 0.4659091 0.0000000 0.4659091), wk = 0.0037037 k( 230) = ( 0.4545455 0.0000000 0.4545454), wk = 0.0037037 k( 231) = ( 0.4431818 -0.0000000 0.4431818), wk = 0.0037037 k( 232) = ( 0.4318182 0.0000000 0.4318182), wk = 0.0037037 k( 233) = ( 0.4204545 0.0000000 0.4204545), wk = 0.0037037 k( 234) = ( 0.4090909 0.0000000 0.4090909), wk = 0.0037037 k( 235) = ( 0.3977273 0.0000000 0.3977273), wk = 0.0037037 k( 236) = ( 0.3863636 0.0000000 0.3863636), wk = 0.0037037 k( 237) = ( 0.3750000 0.0000000 0.3750000), wk = 0.0037037 k( 238) = ( 0.3636364 -0.0000000 0.3636364), wk = 0.0037037 k( 239) = ( 0.3522727 -0.0000000 0.3522727), wk = 0.0037037 k( 240) = ( 0.3409091 0.0000000 0.3409091), wk = 0.0037037 k( 241) = ( 0.3295455 0.0000000 0.3295454), wk = 0.0037037 k( 242) = ( 0.3181818 0.0000000 0.3181818), wk = 0.0037037 k( 243) = ( 0.3068182 0.0000000 0.3068182), wk = 0.0037037 k( 244) = ( 0.2954545 0.0000000 0.2954545), wk = 0.0037037 k( 245) = ( 0.2840909 0.0000000 0.2840909), wk = 0.0037037 k( 246) = ( 0.2727273 0.0000000 0.2727273), wk = 0.0037037 k( 247) = ( 0.2613636 0.0000000 0.2613636), wk = 0.0037037 k( 248) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0037037 k( 249) = ( 0.2386364 0.0000000 0.2386364), wk = 0.0037037 k( 250) = ( 0.2272727 0.0000000 0.2272727), wk = 0.0037037 k( 251) = ( 0.2159091 0.0000000 0.2159091), wk = 0.0037037 k( 252) = ( 0.2045454 0.0000000 0.2045454), wk = 0.0037037 k( 253) = ( 0.1931818 0.0000000 0.1931818), wk = 0.0037037 k( 254) = ( 0.1818182 -0.0000000 0.1818182), wk = 0.0037037 k( 255) = ( 0.1704546 0.0000000 0.1704546), wk = 0.0037037 k( 256) = ( 0.1590909 0.0000000 0.1590909), wk = 0.0037037 k( 257) = ( 0.1477273 0.0000000 0.1477273), wk = 0.0037037 k( 258) = ( 0.1363636 -0.0000000 0.1363636), wk = 0.0037037 k( 259) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0037037 k( 260) = ( 0.1136364 0.0000000 0.1136364), wk = 0.0037037 k( 261) = ( 0.1022727 0.0000000 0.1022727), wk = 0.0037037 k( 262) = ( 0.0909091 -0.0000000 0.0909091), wk = 0.0037037 k( 263) = ( 0.0795455 0.0000000 0.0795455), wk = 0.0037037 k( 264) = ( 0.0681818 -0.0000000 0.0681818), wk = 0.0037037 k( 265) = ( 0.0568182 0.0000000 0.0568182), wk = 0.0037037 k( 266) = ( 0.0454546 0.0000000 0.0454545), wk = 0.0037037 k( 267) = ( 0.0340909 -0.0000000 0.0340909), wk = 0.0037037 k( 268) = ( 0.0227273 0.0000000 0.0227273), wk = 0.0037037 k( 269) = ( 0.0113636 0.0000000 0.0113636), wk = 0.0037037 k( 270) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037037 Dense grid: 92875 G-vectors FFT dimensions: ( 72, 72, 45) Smooth grid: 40337 G-vectors FFT dimensions: ( 50, 50, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.28 Mb ( 282, 64) NL pseudopotentials 0.37 Mb ( 141, 174) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.02 Mb ( 2580) G-vector shells 0.02 Mb ( 2513) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.10 Mb ( 282, 256) Each subspace H/S matrix 0.06 Mb ( 64, 64) Each matrix 0.34 Mb ( 174, 2, 64) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./ZnH8xN2Clx2.save/charge-density.dat Starting wfc are 82 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.7 secs Computing kpt #: 2 total cpu time spent up to now is 5.4 secs Computing kpt #: 3 total cpu time spent up to now is 6.1 secs Computing kpt #: 4 total cpu time spent up to now is 6.8 secs Computing kpt #: 5 total cpu time spent up to now is 7.6 secs Computing kpt #: 6 total cpu time spent up to now is 8.3 secs Computing kpt #: 7 total cpu time spent up to now is 9.0 secs Computing kpt #: 8 total cpu time spent up to now is 9.6 secs Computing kpt #: 9 total cpu time spent up to now is 10.3 secs Computing kpt #: 10 total cpu time spent up to now is 11.0 secs Computing kpt #: 11 total cpu time spent up to now is 11.7 secs Computing kpt #: 12 total cpu time spent up to now is 12.5 secs Computing kpt #: 13 total cpu time spent up to now is 13.2 secs Computing kpt #: 14 total cpu time spent up to now is 13.9 secs Computing kpt #: 15 total cpu time spent up to now is 14.6 secs Computing kpt #: 16 total cpu time spent up to now is 15.3 secs Computing kpt #: 17 total cpu time spent up to now is 16.0 secs Computing kpt #: 18 total cpu time spent up to now is 16.7 secs Computing kpt #: 19 total cpu time spent up to now is 17.4 secs Computing kpt #: 20 total cpu time spent up to now is 18.1 secs Computing kpt #: 21 total cpu time spent up to now is 18.8 secs Computing kpt #: 22 total cpu time spent up to now is 19.4 secs Computing kpt #: 23 total cpu time spent up to now is 20.1 secs Computing kpt #: 24 total cpu time spent up to now is 20.8 secs Computing kpt #: 25 total cpu time spent up to now is 21.5 secs Computing kpt #: 26 total cpu time spent up to now is 22.2 secs Computing kpt #: 27 total cpu time spent up to now is 22.9 secs Computing kpt #: 28 total cpu time spent up to now is 23.6 secs Computing kpt #: 29 total cpu time spent up to now is 24.3 secs Computing kpt #: 30 total cpu time spent up to now is 24.9 secs Computing kpt #: 31 total cpu time spent up to now is 25.6 secs Computing kpt #: 32 total cpu time spent up to now is 26.3 secs Computing kpt #: 33 total cpu time spent up to now is 27.0 secs Computing kpt #: 34 total cpu time spent up to now is 27.7 secs Computing kpt #: 35 total cpu time spent up to now is 28.3 secs Computing kpt #: 36 total cpu time spent up to now is 29.0 secs Computing kpt #: 37 total cpu time spent up to now is 29.7 secs Computing kpt #: 38 total cpu time spent up to now is 30.4 secs Computing kpt #: 39 total cpu time spent up to now is 31.1 secs Computing kpt #: 40 total cpu time spent up to now is 31.8 secs Computing kpt #: 41 total cpu time spent up to now is 32.5 secs Computing kpt #: 42 total cpu time spent up to now is 33.1 secs Computing kpt #: 43 total cpu time spent up to now is 33.8 secs Computing kpt #: 44 total cpu time spent up to now is 34.5 secs Computing kpt #: 45 total cpu time spent up to now is 35.2 secs Computing kpt #: 46 total cpu time spent up to now is 35.9 secs Computing kpt #: 47 total cpu time spent up to now is 36.6 secs Computing kpt #: 48 total cpu time spent up to now is 37.2 secs Computing kpt #: 49 total cpu time spent up to now is 37.9 secs Computing kpt #: 50 total cpu time spent up to now is 38.6 secs Computing kpt #: 51 total cpu time spent up to now is 39.3 secs Computing kpt #: 52 total cpu time spent up to now is 40.0 secs Computing kpt #: 53 total cpu time spent up to now is 40.7 secs Computing kpt #: 54 total cpu time spent up to now is 41.4 secs Computing kpt #: 55 total cpu time spent up to now is 42.0 secs Computing kpt #: 56 total cpu time spent up to now is 42.7 secs Computing kpt #: 57 total cpu time spent up to now is 43.4 secs Computing kpt #: 58 total cpu time spent up to now is 44.3 secs Computing kpt #: 59 total cpu time spent up to now is 45.0 secs Computing kpt #: 60 total cpu time spent up to now is 45.8 secs Computing kpt #: 61 total cpu time spent up to now is 46.5 secs Computing kpt #: 62 total cpu time spent up to now is 47.2 secs Computing kpt #: 63 total cpu time spent up to now is 47.9 secs Computing kpt #: 64 total cpu time spent up to now is 48.6 secs Computing kpt #: 65 total cpu time spent up to now is 49.2 secs Computing kpt #: 66 total cpu time spent up to now is 49.8 secs Computing kpt #: 67 total cpu time spent up to now is 50.4 secs Computing kpt #: 68 total cpu time spent up to now is 51.1 secs Computing kpt #: 69 total cpu time spent up to now is 51.8 secs Computing kpt #: 70 total cpu time spent up to now is 52.4 secs Computing kpt #: 71 total cpu time spent up to now is 53.1 secs Computing kpt #: 72 total cpu time spent up to now is 53.8 secs Computing kpt #: 73 total cpu time spent up to now is 54.4 secs Computing kpt #: 74 total cpu time spent up to now is 55.1 secs Computing kpt #: 75 total cpu time spent up to now is 55.7 secs Computing kpt #: 76 total cpu time spent up to now is 56.4 secs Computing kpt #: 77 total cpu time spent up to now is 57.1 secs Computing kpt #: 78 total cpu time spent up to now is 57.7 secs Computing kpt #: 79 total cpu time spent up to now is 58.4 secs Computing kpt #: 80 total cpu time spent up to now is 59.1 secs Computing kpt #: 81 total cpu time spent up to now is 59.7 secs Computing kpt #: 82 total cpu time spent up to now is 60.4 secs Computing kpt #: 83 total cpu time spent up to now is 61.1 secs Computing kpt #: 84 total cpu time spent up to now is 61.8 secs Computing kpt #: 85 total cpu time spent up to now is 62.5 secs Computing kpt #: 86 total cpu time spent up to now is 63.2 secs Computing kpt #: 87 total cpu time spent up to now is 63.9 secs Computing kpt #: 88 total cpu time spent up to now is 64.6 secs Computing kpt #: 89 total cpu time spent up to now is 65.3 secs Computing kpt #: 90 total cpu time spent up to now is 66.0 secs Computing kpt #: 91 total cpu time spent up to now is 66.6 secs Computing kpt #: 92 total cpu time spent up to now is 67.3 secs Computing kpt #: 93 total cpu time spent up to now is 68.0 secs Computing kpt #: 94 total cpu time spent up to now is 68.7 secs Computing kpt #: 95 total cpu time spent up to now is 69.3 secs Computing kpt #: 96 total cpu time spent up to now is 70.0 secs Computing kpt #: 97 total cpu time spent up to now is 70.7 secs Computing kpt #: 98 total cpu time spent up to now is 71.4 secs Computing kpt #: 99 total cpu time spent up to now is 72.1 secs Computing kpt #: 100 total cpu time spent up to now is 72.7 secs Computing kpt #: 101 total cpu time spent up to now is 73.4 secs Computing kpt #: 102 total cpu time spent up to now is 74.1 secs Computing kpt #: 103 total cpu time spent up to now is 74.8 secs Computing kpt #: 104 total cpu time spent up to now is 75.5 secs Computing kpt #: 105 total cpu time spent up to now is 76.2 secs Computing kpt #: 106 total cpu time spent up to now is 77.1 secs Computing kpt #: 107 total cpu time spent up to now is 77.9 secs Computing kpt #: 108 total cpu time spent up to now is 78.6 secs Computing kpt #: 109 total cpu time spent up to now is 79.4 secs Computing kpt #: 110 total cpu time spent up to now is 80.2 secs Computing kpt #: 111 total cpu time spent up to now is 80.8 secs Computing kpt #: 112 total cpu time spent up to now is 81.5 secs Computing kpt #: 113 total cpu time spent up to now is 82.1 secs Computing kpt #: 114 total cpu time spent up to now is 82.7 secs Computing kpt #: 115 total cpu time spent up to now is 83.3 secs Computing kpt #: 116 total cpu time spent up to now is 83.9 secs Computing kpt #: 117 total cpu time spent up to now is 84.5 secs Computing kpt #: 118 total cpu time spent up to now is 85.1 secs Computing kpt #: 119 total cpu time spent up to now is 85.7 secs Computing kpt #: 120 total cpu time spent up to now is 86.4 secs Computing kpt #: 121 total cpu time spent up to now is 87.1 secs Computing kpt #: 122 total cpu time spent up to now is 87.8 secs Computing kpt #: 123 total cpu time spent up to now is 88.4 secs Computing kpt #: 124 total cpu time spent up to now is 89.1 secs Computing kpt #: 125 total cpu time spent up to now is 89.8 secs Computing kpt #: 126 total cpu time spent up to now is 90.6 secs Computing kpt #: 127 total cpu time spent up to now is 91.5 secs Computing kpt #: 128 total cpu time spent up to now is 92.3 secs Computing kpt #: 129 total cpu time spent up to now is 93.1 secs Computing kpt #: 130 total cpu time spent up to now is 93.8 secs Computing kpt #: 131 total cpu time spent up to now is 94.5 secs Computing kpt #: 132 total cpu time spent up to now is 95.2 secs Computing kpt #: 133 total cpu time spent up to now is 96.0 secs Computing kpt #: 134 total cpu time spent up to now is 96.7 secs Computing kpt #: 135 total cpu time spent up to now is 97.4 secs Computing kpt #: 136 total cpu time spent up to now is 98.1 secs Computing kpt #: 137 total cpu time spent up to now is 98.7 secs Computing kpt #: 138 total cpu time spent up to now is 99.4 secs Computing kpt #: 139 total cpu time spent up to now is 100.1 secs Computing kpt #: 140 total cpu time spent up to now is 100.8 secs Computing kpt #: 141 total cpu time spent up to now is 101.5 secs Computing kpt #: 142 total cpu time spent up to now is 102.2 secs Computing kpt #: 143 total cpu time spent up to now is 102.9 secs Computing kpt #: 144 total cpu time spent up to now is 103.5 secs Computing kpt #: 145 total cpu time spent up to now is 104.2 secs Computing kpt #: 146 total cpu time spent up to now is 104.9 secs Computing kpt #: 147 total cpu time spent up to now is 105.6 secs Computing kpt #: 148 total cpu time spent up to now is 106.3 secs Computing kpt #: 149 total cpu time spent up to now is 107.0 secs Computing kpt #: 150 total cpu time spent up to now is 107.6 secs Computing kpt #: 151 total cpu time spent up to now is 108.3 secs Computing kpt #: 152 total cpu time spent up to now is 109.0 secs Computing kpt #: 153 total cpu time spent up to now is 109.6 secs Computing kpt #: 154 total cpu time spent up to now is 110.3 secs Computing kpt #: 155 total cpu time spent up to now is 111.0 secs Computing kpt #: 156 total cpu time spent up to now is 111.6 secs Computing kpt #: 157 total cpu time spent up to now is 112.3 secs Computing kpt #: 158 total cpu time spent up to now is 113.1 secs Computing kpt #: 159 total cpu time spent up to now is 113.7 secs Computing kpt #: 160 total cpu time spent up to now is 114.4 secs Computing kpt #: 161 total cpu time spent up to now is 115.1 secs Computing kpt #: 162 total cpu time spent up to now is 115.8 secs Computing kpt #: 163 total cpu time spent up to now is 116.5 secs Computing kpt #: 164 total cpu time spent up to now is 117.2 secs Computing kpt #: 165 total cpu time spent up to now is 117.9 secs Computing kpt #: 166 total cpu time spent up to now is 118.6 secs Computing kpt #: 167 total cpu time spent up to now is 119.3 secs Computing kpt #: 168 total cpu time spent up to now is 120.1 secs Computing kpt #: 169 total cpu time spent up to now is 120.8 secs Computing kpt #: 170 total cpu time spent up to now is 121.5 secs Computing kpt #: 171 total cpu time spent up to now is 122.3 secs Computing kpt #: 172 total cpu time spent up to now is 123.0 secs Computing kpt #: 173 total cpu time spent up to now is 123.7 secs Computing kpt #: 174 total cpu time spent up to now is 124.4 secs Computing kpt #: 175 total cpu time spent up to now is 125.2 secs Computing kpt #: 176 total cpu time spent up to now is 125.9 secs Computing kpt #: 177 total cpu time spent up to now is 126.6 secs Computing kpt #: 178 total cpu time spent up to now is 127.3 secs Computing kpt #: 179 total cpu time spent up to now is 127.9 secs Computing kpt #: 180 total cpu time spent up to now is 128.6 secs Computing kpt #: 181 total cpu time spent up to now is 129.3 secs Computing kpt #: 182 total cpu time spent up to now is 130.0 secs Computing kpt #: 183 total cpu time spent up to now is 130.7 secs Computing kpt #: 184 total cpu time spent up to now is 131.3 secs Computing kpt #: 185 total cpu time spent up to now is 132.0 secs Computing kpt #: 186 total cpu time spent up to now is 132.7 secs Computing kpt #: 187 total cpu time spent up to now is 133.4 secs Computing kpt #: 188 total cpu time spent up to now is 134.1 secs Computing kpt #: 189 total cpu time spent up to now is 134.7 secs Computing kpt #: 190 total cpu time spent up to now is 135.4 secs Computing kpt #: 191 total cpu time spent up to now is 136.1 secs Computing kpt #: 192 total cpu time spent up to now is 136.8 secs Computing kpt #: 193 total cpu time spent up to now is 137.5 secs Computing kpt #: 194 total cpu time spent up to now is 138.2 secs Computing kpt #: 195 total cpu time spent up to now is 138.9 secs Computing kpt #: 196 total cpu time spent up to now is 139.6 secs Computing kpt #: 197 total cpu time spent up to now is 140.3 secs Computing kpt #: 198 total cpu time spent up to now is 141.0 secs Computing kpt #: 199 total cpu time spent up to now is 141.7 secs Computing kpt #: 200 total cpu time spent up to now is 142.4 secs Computing kpt #: 201 total cpu time spent up to now is 143.1 secs Computing kpt #: 202 total cpu time spent up to now is 143.9 secs Computing kpt #: 203 total cpu time spent up to now is 144.5 secs Computing kpt #: 204 total cpu time spent up to now is 145.3 secs Computing kpt #: 205 total cpu time spent up to now is 146.0 secs Computing kpt #: 206 total cpu time spent up to now is 146.7 secs Computing kpt #: 207 total cpu time spent up to now is 147.4 secs Computing kpt #: 208 total cpu time spent up to now is 148.0 secs Computing kpt #: 209 total cpu time spent up to now is 148.6 secs Computing kpt #: 210 total cpu time spent up to now is 149.4 secs Computing kpt #: 211 total cpu time spent up to now is 150.0 secs Computing kpt #: 212 total cpu time spent up to now is 150.7 secs Computing kpt #: 213 total cpu time spent up to now is 151.4 secs Computing kpt #: 214 total cpu time spent up to now is 152.0 secs Computing kpt #: 215 total cpu time spent up to now is 152.7 secs Computing kpt #: 216 total cpu time spent up to now is 153.4 secs Computing kpt #: 217 total cpu time spent up to now is 154.0 secs Computing kpt #: 218 total cpu time spent up to now is 154.7 secs Computing kpt #: 219 total cpu time spent up to now is 155.4 secs Computing kpt #: 220 total cpu time spent up to now is 156.1 secs Computing kpt #: 221 total cpu time spent up to now is 156.7 secs Computing kpt #: 222 total cpu time spent up to now is 157.3 secs Computing kpt #: 223 total cpu time spent up to now is 157.9 secs Computing kpt #: 224 total cpu time spent up to now is 158.5 secs Computing kpt #: 225 total cpu time spent up to now is 159.1 secs Computing kpt #: 226 total cpu time spent up to now is 159.9 secs Computing kpt #: 227 total cpu time spent up to now is 160.6 secs Computing kpt #: 228 total cpu time spent up to now is 161.3 secs Computing kpt #: 229 total cpu time spent up to now is 162.1 secs Computing kpt #: 230 total cpu time spent up to now is 162.8 secs Computing kpt #: 231 total cpu time spent up to now is 163.5 secs Computing kpt #: 232 total cpu time spent up to now is 164.2 secs Computing kpt #: 233 total cpu time spent up to now is 164.9 secs Computing kpt #: 234 total cpu time spent up to now is 165.5 secs Computing kpt #: 235 total cpu time spent up to now is 166.1 secs Computing kpt #: 236 total cpu time spent up to now is 166.7 secs Computing kpt #: 237 total cpu time spent up to now is 167.3 secs Computing kpt #: 238 total cpu time spent up to now is 167.9 secs Computing kpt #: 239 total cpu time spent up to now is 168.5 secs Computing kpt #: 240 total cpu time spent up to now is 169.0 secs Computing kpt #: 241 total cpu time spent up to now is 169.6 secs Computing kpt #: 242 total cpu time spent up to now is 170.2 secs Computing kpt #: 243 total cpu time spent up to now is 170.8 secs Computing kpt #: 244 total cpu time spent up to now is 171.4 secs Computing kpt #: 245 total cpu time spent up to now is 171.9 secs Computing kpt #: 246 total cpu time spent up to now is 172.5 secs Computing kpt #: 247 total cpu time spent up to now is 173.3 secs Computing kpt #: 248 total cpu time spent up to now is 174.1 secs Computing kpt #: 249 total cpu time spent up to now is 174.8 secs Computing kpt #: 250 total cpu time spent up to now is 175.4 secs Computing kpt #: 251 total cpu time spent up to now is 176.0 secs Computing kpt #: 252 total cpu time spent up to now is 176.6 secs Computing kpt #: 253 total cpu time spent up to now is 177.2 secs Computing kpt #: 254 total cpu time spent up to now is 177.8 secs Computing kpt #: 255 total cpu time spent up to now is 178.5 secs Computing kpt #: 256 total cpu time spent up to now is 179.1 secs Computing kpt #: 257 total cpu time spent up to now is 179.7 secs Computing kpt #: 258 total cpu time spent up to now is 180.3 secs Computing kpt #: 259 total cpu time spent up to now is 180.9 secs Computing kpt #: 260 total cpu time spent up to now is 181.6 secs Computing kpt #: 261 total cpu time spent up to now is 182.2 secs Computing kpt #: 262 total cpu time spent up to now is 182.8 secs Computing kpt #: 263 total cpu time spent up to now is 183.5 secs Computing kpt #: 264 total cpu time spent up to now is 184.6 secs Computing kpt #: 265 total cpu time spent up to now is 185.3 secs Computing kpt #: 266 total cpu time spent up to now is 186.0 secs Computing kpt #: 267 total cpu time spent up to now is 186.7 secs Computing kpt #: 268 total cpu time spent up to now is 187.4 secs Computing kpt #: 269 total cpu time spent up to now is 188.1 secs Computing kpt #: 270 total cpu time spent up to now is 188.8 secs ethr = 1.85E-08, avg # of iterations = 22.9 total cpu time spent up to now is 188.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5057 PWs) bands (ev): -16.5635 -16.5635 -16.2907 -16.2907 -10.8225 -10.8225 -10.8021 -10.8021 -10.6919 -10.6919 -10.4058 -10.4058 -5.6064 -5.6064 -4.7153 -4.7153 -4.1002 -4.1002 -3.9647 -3.9647 -3.8605 -3.8605 -3.1716 -3.1716 -2.4665 -2.4665 -2.3638 -2.3638 -1.9920 -1.9920 -1.8868 -1.8868 -1.7685 -1.7685 -0.9493 -0.9493 -0.6089 -0.6089 0.1800 0.1800 0.8752 0.8752 0.9544 0.9544 1.3704 1.3704 1.5766 1.5766 1.6162 1.6162 1.8005 1.8005 1.9120 1.9120 6.4744 6.4744 9.2956 9.2956 9.4074 9.4074 9.6532 9.6532 9.7636 9.7636 k = 0.0135 0.0119-0.0050 ( 5054 PWs) bands (ev): -16.5634 -16.5634 -16.2908 -16.2908 -10.8220 -10.8220 -10.8055 -10.8055 -10.6891 -10.6891 -10.4059 -10.4059 -5.6059 -5.6059 -4.7152 -4.7152 -4.0998 -4.0998 -3.9645 -3.9645 -3.8602 -3.8602 -3.1722 -3.1722 -2.4663 -2.4663 -2.3637 -2.3637 -1.9919 -1.9919 -1.8867 -1.8867 -1.7685 -1.7685 -0.9503 -0.9503 -0.6080 -0.6080 0.1793 0.1793 0.8752 0.8752 0.9482 0.9482 1.3767 1.3767 1.5761 1.5761 1.6166 1.6166 1.7995 1.7995 1.9125 1.9125 6.4761 6.4761 9.2877 9.2877 9.4123 9.4123 9.6513 9.6513 9.7645 9.7645 k = 0.0270 0.0238-0.0100 ( 5052 PWs) bands (ev): -16.5629 -16.5629 -16.2912 -16.2912 -10.8205 -10.8205 -10.8149 -10.8149 -10.6816 -10.6816 -10.4062 -10.4062 -5.6046 -5.6046 -4.7151 -4.7151 -4.0987 -4.0987 -3.9639 -3.9639 -3.8593 -3.8593 -3.1743 -3.1743 -2.4656 -2.4656 -2.3637 -2.3637 -1.9918 -1.9918 -1.8864 -1.8864 -1.7683 -1.7683 -0.9531 -0.9531 -0.6054 -0.6054 0.1774 0.1774 0.8751 0.8751 0.9309 0.9309 1.3943 1.3943 1.5744 1.5744 1.6178 1.6178 1.7966 1.7966 1.9139 1.9139 6.4810 6.4810 9.2673 9.2673 9.4239 9.4239 9.6466 9.6466 9.7671 9.7671 k = 0.0405 0.0357-0.0150 ( 5052 PWs) bands (ev): -16.5622 -16.5622 -16.2919 -16.2919 -10.8283 -10.8283 -10.8179 -10.8179 -10.6712 -10.6712 -10.4066 -10.4066 -5.6025 -5.6025 -4.7148 -4.7148 -4.0969 -4.0969 -3.9631 -3.9631 -3.8579 -3.8579 -3.1776 -3.1776 -2.4646 -2.4646 -2.3635 -2.3635 -1.9916 -1.9916 -1.8860 -1.8860 -1.7680 -1.7680 -0.9577 -0.9577 -0.6012 -0.6012 0.1742 0.1742 0.8739 0.8739 0.9064 0.9064 1.4198 1.4198 1.5717 1.5717 1.6203 1.6203 1.7920 1.7920 1.9161 1.9161 6.4893 6.4893 9.2394 9.2394 9.4373 9.4373 9.6405 9.6405 9.7711 9.7711 k = 0.0541 0.0476-0.0200 ( 5054 PWs) bands (ev): -16.5611 -16.5611 -16.2927 -16.2927 -10.8444 -10.8444 -10.8144 -10.8144 -10.6596 -10.6596 -10.4070 -10.4070 -5.5995 -5.5995 -4.7143 -4.7143 -4.0943 -4.0943 -3.9619 -3.9619 -3.8559 -3.8559 -3.1823 -3.1823 -2.4631 -2.4631 -2.3633 -2.3633 -1.9913 -1.9913 -1.8854 -1.8854 -1.7677 -1.7677 -0.9639 -0.9639 -0.5955 -0.5955 0.1698 0.1698 0.8634 0.8634 0.8861 0.8861 1.4492 1.4492 1.5679 1.5679 1.6249 1.6249 1.7857 1.7857 1.9189 1.9189 6.5008 6.5008 9.2068 9.2068 9.4498 9.4498 9.6347 9.6347 9.7760 9.7760 k = 0.0676 0.0595-0.0250 ( 5052 PWs) bands (ev): -16.5598 -16.5598 -16.2939 -16.2939 -10.8621 -10.8621 -10.8099 -10.8099 -10.6477 -10.6477 -10.4074 -10.4074 -5.5957 -5.5957 -4.7138 -4.7138 -4.0910 -4.0910 -3.9603 -3.9603 -3.8535 -3.8535 -3.1882 -3.1882 -2.4612 -2.4612 -2.3629 -2.3629 -1.9909 -1.9909 -1.8846 -1.8846 -1.7672 -1.7672 -0.9715 -0.9715 -0.5888 -0.5888 0.1643 0.1643 0.8335 0.8335 0.8823 0.8823 1.4784 1.4784 1.5633 1.5633 1.6332 1.6332 1.7781 1.7781 1.9222 1.9222 6.5156 6.5156 9.1710 9.1710 9.4601 9.4601 9.6302 9.6302 9.7814 9.7814 k = 0.0811 0.0714-0.0300 ( 5060 PWs) bands (ev): -16.5582 -16.5582 -16.2952 -16.2952 -10.8808 -10.8808 -10.8044 -10.8044 -10.6363 -10.6363 -10.4074 -10.4074 -5.5911 -5.5911 -4.7132 -4.7132 -4.0870 -4.0870 -3.9583 -3.9583 -3.8506 -3.8506 -3.1955 -3.1955 -2.4591 -2.4591 -2.3625 -2.3625 -1.9905 -1.9905 -1.8837 -1.8837 -1.7666 -1.7666 -0.9801 -0.9801 -0.5812 -0.5812 0.1578 0.1578 0.7988 0.7988 0.8825 0.8825 1.5031 1.5031 1.5579 1.5579 1.6471 1.6471 1.7693 1.7693 1.9260 1.9260 6.5335 6.5335 9.1328 9.1328 9.4676 9.4676 9.6280 9.6280 9.7866 9.7866 k = 0.0946 0.0833-0.0350 ( 5052 PWs) bands (ev): -16.5563 -16.5563 -16.2968 -16.2968 -10.9003 -10.9003 -10.7980 -10.7980 -10.6259 -10.6259 -10.4069 -10.4069 -5.5858 -5.5858 -4.7125 -4.7125 -4.0824 -4.0824 -3.9560 -3.9560 -3.8472 -3.8472 -3.2039 -3.2039 -2.4567 -2.4567 -2.3619 -2.3619 -1.9899 -1.9899 -1.8826 -1.8826 -1.7659 -1.7659 -0.9895 -0.9895 -0.5731 -0.5731 0.1504 0.1504 0.7636 0.7636 0.8835 0.8835 1.5200 1.5200 1.5524 1.5524 1.6682 1.6682 1.7598 1.7598 1.9300 1.9300 6.5545 6.5545 9.0925 9.0925 9.4720 9.4720 9.6282 9.6282 9.7911 9.7911 k = 0.1081 0.0952-0.0400 ( 5049 PWs) bands (ev): -16.5542 -16.5542 -16.2986 -16.2986 -10.9203 -10.9203 -10.7907 -10.7907 -10.6168 -10.6168 -10.4058 -10.4058 -5.5798 -5.5798 -4.7116 -4.7116 -4.0771 -4.0771 -3.9534 -3.9534 -3.8435 -3.8435 -3.2137 -3.2137 -2.4542 -2.4542 -2.3611 -2.3611 -1.9894 -1.9894 -1.8814 -1.8814 -1.7651 -1.7651 -0.9996 -0.9996 -0.5647 -0.5647 0.1421 0.1421 0.7293 0.7293 0.8848 0.8848 1.5272 1.5272 1.5483 1.5483 1.6946 1.6946 1.7507 1.7507 1.9343 1.9343 6.5784 6.5784 9.0506 9.0506 9.4730 9.4730 9.6312 9.6312 9.7945 9.7945 k = 0.1216 0.1071-0.0450 ( 5053 PWs) bands (ev): -16.5518 -16.5518 -16.3006 -16.3006 -10.9406 -10.9406 -10.7826 -10.7826 -10.6093 -10.6093 -10.4038 -10.4038 -5.5732 -5.5732 -4.7107 -4.7107 -4.0712 -4.0712 -3.9504 -3.9504 -3.8395 -3.8395 -3.2245 -3.2245 -2.4516 -2.4516 -2.3602 -2.3602 -1.9888 -1.9888 -1.8800 -1.8800 -1.7642 -1.7642 -1.0100 -1.0100 -0.5563 -0.5563 0.1332 0.1332 0.6970 0.6970 0.8862 0.8862 1.5252 1.5252 1.5469 1.5469 1.7162 1.7162 1.7500 1.7500 1.9387 1.9387 6.6053 6.6053 9.0070 9.0070 9.4703 9.4703 9.6370 9.6370 9.7964 9.7964 k = 0.1351 0.1191-0.0500 ( 5049 PWs) bands (ev): -16.5492 -16.5492 -16.3028 -16.3028 -10.9611 -10.9611 -10.7737 -10.7737 -10.6037 -10.6037 -10.4006 -10.4006 -5.5660 -5.5660 -4.7097 -4.7097 -4.0647 -4.0647 -3.9471 -3.9471 -3.8352 -3.8352 -3.2365 -3.2365 -2.4491 -2.4491 -2.3589 -2.3589 -1.9882 -1.9882 -1.8785 -1.8785 -1.7633 -1.7633 -1.0205 -1.0205 -0.5482 -0.5482 0.1238 0.1238 0.6670 0.6670 0.8878 0.8878 1.5180 1.5180 1.5463 1.5463 1.7140 1.7140 1.7741 1.7741 1.9433 1.9433 6.6350 6.6350 8.9619 8.9619 9.4637 9.4637 9.6455 9.6455 9.7965 9.7965 k = 0.1486 0.1310-0.0551 ( 5051 PWs) bands (ev): -16.5464 -16.5464 -16.3051 -16.3051 -10.9817 -10.9817 -10.7642 -10.7642 -10.6001 -10.6001 -10.3963 -10.3963 -5.5583 -5.5583 -4.7087 -4.7087 -4.0577 -4.0577 -3.9435 -3.9435 -3.8308 -3.8308 -3.2496 -3.2496 -2.4467 -2.4467 -2.3575 -2.3575 -1.9876 -1.9876 -1.8770 -1.8770 -1.7622 -1.7622 -1.0309 -1.0309 -0.5406 -0.5406 0.1139 0.1139 0.6400 0.6400 0.8894 0.8894 1.5085 1.5085 1.5448 1.5448 1.7021 1.7021 1.8071 1.8071 1.9480 1.9480 6.6673 6.6673 8.9152 8.9152 9.4530 9.4530 9.6566 9.6566 9.7947 9.7947 k = 0.1622 0.1429-0.0601 ( 5053 PWs) bands (ev): -16.5434 -16.5434 -16.3076 -16.3076 -11.0023 -11.0023 -10.7540 -10.7540 -10.5984 -10.5984 -10.3908 -10.3908 -5.5501 -5.5501 -4.7075 -4.7075 -4.0501 -4.0501 -3.9395 -3.9395 -3.8262 -3.8262 -3.2637 -3.2637 -2.4444 -2.4444 -2.3557 -2.3557 -1.9870 -1.9870 -1.8753 -1.8753 -1.7611 -1.7611 -1.0412 -1.0412 -0.5336 -0.5336 0.1037 0.1037 0.6163 0.6163 0.8911 0.8911 1.4978 1.4978 1.5423 1.5423 1.6879 1.6879 1.8406 1.8406 1.9528 1.9528 6.7020 6.7020 8.8671 8.8671 9.4380 9.4380 9.6699 9.6699 9.7911 9.7911 k = 0.1757 0.1548-0.0651 ( 5057 PWs) bands (ev): -16.5402 -16.5402 -16.3102 -16.3102 -11.0228 -11.0228 -10.7432 -10.7432 -10.5986 -10.5986 -10.3842 -10.3842 -5.5416 -5.5416 -4.7064 -4.7064 -4.0421 -4.0421 -3.9352 -3.9352 -3.8216 -3.8216 -3.2787 -3.2787 -2.4425 -2.4425 -2.3536 -2.3536 -1.9865 -1.9865 -1.8736 -1.8736 -1.7598 -1.7598 -1.0509 -1.0509 -0.5276 -0.5276 0.0933 0.0933 0.5962 0.5962 0.8928 0.8928 1.4862 1.4862 1.5391 1.5391 1.6727 1.6727 1.8724 1.8724 1.9577 1.9577 6.7390 6.7390 8.8174 8.8174 9.4188 9.4188 9.6851 9.6851 9.7858 9.7858 k = 0.1892 0.1667-0.0701 ( 5055 PWs) bands (ev): -16.5369 -16.5369 -16.3129 -16.3129 -11.0431 -11.0431 -10.7319 -10.7319 -10.6005 -10.6005 -10.3766 -10.3766 -5.5328 -5.5328 -4.7051 -4.7051 -4.0336 -4.0336 -3.9306 -3.9306 -3.8171 -3.8171 -3.2946 -3.2946 -2.4408 -2.4408 -2.3513 -2.3513 -1.9860 -1.9860 -1.8718 -1.8718 -1.7586 -1.7586 -1.0601 -1.0601 -0.5226 -0.5226 0.0829 0.0829 0.5799 0.5799 0.8946 0.8946 1.4738 1.4738 1.5355 1.5355 1.6566 1.6566 1.9019 1.9019 1.9630 1.9630 6.7781 6.7781 8.7662 8.7662 9.3956 9.3956 9.7020 9.7020 9.7789 9.7789 k = 0.2027 0.1786-0.0751 ( 5047 PWs) bands (ev): -16.5335 -16.5335 -16.3157 -16.3157 -11.0632 -11.0632 -10.7202 -10.7202 -10.6039 -10.6039 -10.3682 -10.3682 -5.5238 -5.5238 -4.7038 -4.7038 -4.0247 -4.0247 -3.9257 -3.9257 -3.8126 -3.8126 -3.3112 -3.3112 -2.4395 -2.4395 -2.3486 -2.3486 -1.9855 -1.9855 -1.8700 -1.8700 -1.7572 -1.7572 -1.0686 -1.0686 -0.5187 -0.5187 0.0724 0.0724 0.5676 0.5676 0.8964 0.8964 1.4608 1.4608 1.5315 1.5315 1.6399 1.6399 1.9280 1.9280 1.9688 1.9688 6.8189 6.8189 8.7137 8.7137 9.3687 9.3687 9.7199 9.7199 9.7708 9.7708 k = 0.2162 0.1905-0.0801 ( 5039 PWs) bands (ev): -16.5299 -16.5299 -16.3186 -16.3186 -11.0830 -11.0830 -10.7081 -10.7081 -10.6084 -10.6084 -10.3593 -10.3593 -5.5146 -5.5146 -4.7025 -4.7025 -4.0155 -4.0155 -3.9204 -3.9204 -3.8082 -3.8082 -3.3286 -3.3286 -2.4386 -2.4386 -2.3458 -2.3458 -1.9852 -1.9852 -1.8682 -1.8682 -1.7558 -1.7558 -1.0762 -1.0762 -0.5159 -0.5159 0.0621 0.0621 0.5593 0.5593 0.8984 0.8984 1.4471 1.4471 1.5273 1.5273 1.6227 1.6227 1.9495 1.9495 1.9762 1.9762 6.8614 6.8614 8.6598 8.6598 9.3386 9.3386 9.7381 9.7381 9.7621 9.7621 k = 0.2297 0.2024-0.0851 ( 5033 PWs) bands (ev): -16.5263 -16.5263 -16.3215 -16.3215 -11.1024 -11.1024 -10.6958 -10.6958 -10.6140 -10.6140 -10.3499 -10.3499 -5.5053 -5.5053 -4.7012 -4.7012 -4.0059 -4.0059 -3.9149 -3.9149 -3.8041 -3.8041 -3.3465 -3.3465 -2.4381 -2.4381 -2.3428 -2.3428 -1.9850 -1.9850 -1.8664 -1.8664 -1.7544 -1.7544 -1.0827 -1.0827 -0.5144 -0.5144 0.0519 0.0519 0.5551 0.5551 0.9004 0.9004 1.4330 1.4330 1.5231 1.5231 1.6050 1.6050 1.9643 1.9643 1.9871 1.9871 6.9051 6.9051 8.6049 8.6049 9.3060 9.3060 9.7513 9.7513 9.7580 9.7580 k = 0.2432 0.2143-0.0901 ( 5041 PWs) bands (ev): -16.5227 -16.5227 -16.3244 -16.3244 -11.1214 -11.1214 -10.6833 -10.6833 -10.6203 -10.6203 -10.3403 -10.3403 -5.4960 -5.4960 -4.6998 -4.6998 -3.9962 -3.9962 -3.9091 -3.9091 -3.8003 -3.8003 -3.3651 -3.3651 -2.4379 -2.4379 -2.3398 -2.3398 -1.9849 -1.9849 -1.8647 -1.8647 -1.7530 -1.7530 -1.0882 -1.0882 -0.5141 -0.5141 0.0420 0.0420 0.5549 0.5549 0.9025 0.9025 1.4183 1.4183 1.5188 1.5188 1.5871 1.5871 1.9730 1.9730 2.0005 2.0005 6.9498 6.9498 8.5491 8.5491 9.2716 9.2716 9.7436 9.7436 9.7743 9.7743 k = 0.2568 0.2262-0.0951 ( 5045 PWs) bands (ev): -16.5190 -16.5190 -16.3274 -16.3274 -11.1399 -11.1399 -10.6707 -10.6707 -10.6272 -10.6272 -10.3307 -10.3307 -5.4868 -5.4868 -4.6985 -4.6985 -3.9862 -3.9862 -3.9030 -3.9030 -3.7967 -3.7967 -3.3840 -3.3840 -2.4381 -2.4381 -2.3367 -2.3367 -1.9850 -1.9850 -1.8631 -1.8631 -1.7516 -1.7516 -1.0925 -1.0925 -0.5149 -0.5149 0.0324 0.0324 0.5587 0.5587 0.9049 0.9049 1.4031 1.4031 1.5147 1.5147 1.5689 1.5689 1.9789 1.9789 2.0131 2.0131 6.9951 6.9951 8.4929 8.4929 9.2359 9.2359 9.7357 9.7357 9.7900 9.7900 k = 0.2703 0.2381-0.1001 ( 5039 PWs) bands (ev): -16.5153 -16.5153 -16.3303 -16.3303 -11.1578 -11.1578 -10.6582 -10.6582 -10.6344 -10.6344 -10.3212 -10.3212 -5.4777 -5.4777 -4.6972 -4.6972 -3.9761 -3.9761 -3.8966 -3.8966 -3.7935 -3.7935 -3.4032 -3.4032 -2.4385 -2.4385 -2.3337 -2.3337 -1.9852 -1.9852 -1.8615 -1.8615 -1.7502 -1.7502 -1.0956 -1.0956 -0.5167 -0.5167 0.0232 0.0232 0.5662 0.5662 0.9074 0.9074 1.3876 1.3876 1.5107 1.5107 1.5508 1.5508 1.9837 1.9837 2.0232 2.0232 7.0408 7.0408 8.4364 8.4364 9.1997 9.1997 9.7293 9.7293 9.8035 9.8035 k = 0.2838 0.2500-0.1051 ( 5035 PWs) bands (ev): -16.5116 -16.5116 -16.3332 -16.3332 -11.1751 -11.1751 -10.6457 -10.6457 -10.6419 -10.6419 -10.3118 -10.3118 -5.4688 -5.4688 -4.6958 -4.6958 -3.9659 -3.9659 -3.8900 -3.8900 -3.7907 -3.7907 -3.4227 -3.4227 -2.4391 -2.4391 -2.3308 -2.3308 -1.9856 -1.9856 -1.8601 -1.8601 -1.7487 -1.7487 -1.0975 -1.0975 -0.5196 -0.5196 0.0144 0.0144 0.5773 0.5773 0.9101 0.9101 1.3715 1.3715 1.5067 1.5067 1.5329 1.5329 1.9878 1.9878 2.0303 2.0303 7.0865 7.0865 8.3802 8.3802 9.1633 9.1633 9.7246 9.7246 9.8143 9.8143 k = 0.2973 0.2619-0.1101 ( 5033 PWs) bands (ev): -16.5080 -16.5080 -16.3361 -16.3361 -11.1917 -11.1917 -10.6495 -10.6495 -10.6334 -10.6334 -10.3026 -10.3026 -5.4601 -5.4601 -4.6945 -4.6945 -3.9556 -3.9556 -3.8831 -3.8831 -3.7883 -3.7883 -3.4422 -3.4422 -2.4400 -2.4400 -2.3282 -2.3282 -1.9862 -1.9862 -1.8588 -1.8588 -1.7473 -1.7473 -1.0980 -1.0980 -0.5232 -0.5232 0.0060 0.0060 0.5918 0.5918 0.9130 0.9130 1.3551 1.3551 1.5016 1.5016 1.5165 1.5165 1.9914 1.9914 2.0345 2.0345 7.1320 7.1320 8.3245 8.3245 9.1273 9.1273 9.7219 9.7219 9.8222 9.8222 k = 0.3108 0.2738-0.1151 ( 5031 PWs) bands (ev): -16.5045 -16.5045 -16.3388 -16.3388 -11.2076 -11.2076 -10.6570 -10.6570 -10.6214 -10.6214 -10.2938 -10.2938 -5.4518 -5.4518 -4.6933 -4.6933 -3.9454 -3.9454 -3.8760 -3.8760 -3.7864 -3.7864 -3.4618 -3.4618 -2.4410 -2.4410 -2.3257 -2.3257 -1.9869 -1.9869 -1.8576 -1.8576 -1.7459 -1.7459 -1.0974 -1.0974 -0.5276 -0.5276 -0.0019 -0.0019 0.6093 0.6093 0.9162 0.9162 1.3382 1.3382 1.4909 1.4909 1.5063 1.5063 1.9943 1.9943 2.0360 2.0360 7.1769 7.1769 8.2699 8.2699 9.0921 9.0921 9.7212 9.7212 9.8272 9.8272 k = 0.3243 0.2857-0.1201 ( 5029 PWs) bands (ev): -16.5011 -16.5011 -16.3415 -16.3415 -11.2226 -11.2226 -10.6644 -10.6644 -10.6098 -10.6098 -10.2854 -10.2854 -5.4438 -5.4438 -4.6921 -4.6921 -3.9353 -3.9353 -3.8686 -3.8686 -3.7849 -3.7849 -3.4812 -3.4812 -2.4422 -2.4422 -2.3236 -2.3236 -1.9878 -1.9878 -1.8565 -1.8565 -1.7445 -1.7445 -1.0956 -1.0956 -0.5326 -0.5326 -0.0093 -0.0093 0.6297 0.6297 0.9196 0.9196 1.3209 1.3209 1.4746 1.4746 1.5023 1.5023 1.9961 1.9961 2.0353 2.0353 7.2209 7.2209 8.2164 8.2164 9.0582 9.0582 9.7227 9.7227 9.8297 9.8297 k = 0.3378 0.2976-0.1251 ( 5031 PWs) bands (ev): -16.4978 -16.4978 -16.3440 -16.3440 -11.2368 -11.2368 -10.6716 -10.6716 -10.5986 -10.5986 -10.2775 -10.2775 -5.4362 -5.4362 -4.6909 -4.6909 -3.9253 -3.9253 -3.8610 -3.8610 -3.7839 -3.7839 -3.5005 -3.5005 -2.4434 -2.4434 -2.3217 -2.3217 -1.9888 -1.9888 -1.8556 -1.8556 -1.7431 -1.7431 -1.0927 -1.0927 -0.5380 -0.5380 -0.0162 -0.0162 0.6525 0.6525 0.9233 0.9233 1.3031 1.3031 1.4575 1.4575 1.5002 1.5002 1.9964 1.9964 2.0333 2.0333 7.2638 7.2638 8.1646 8.1646 9.0257 9.0257 9.7260 9.7260 9.8302 9.8302 k = 0.3514 0.3095-0.1301 ( 5022 PWs) bands (ev): -16.4947 -16.4947 -16.3464 -16.3464 -11.2501 -11.2501 -10.6785 -10.6785 -10.5880 -10.5880 -10.2700 -10.2700 -5.4290 -5.4290 -4.6898 -4.6898 -3.9156 -3.9156 -3.8532 -3.8532 -3.7833 -3.7833 -3.5194 -3.5194 -2.4446 -2.4446 -2.3201 -2.3201 -1.9898 -1.9898 -1.8548 -1.8548 -1.7418 -1.7418 -1.0890 -1.0890 -0.5438 -0.5438 -0.0226 -0.0226 0.6776 0.6776 0.9272 0.9272 1.2847 1.2847 1.4405 1.4405 1.4989 1.4989 1.9943 1.9943 2.0310 2.0310 7.3054 7.3054 8.1145 8.1145 8.9951 8.9951 9.7310 9.7310 9.8292 9.8292 k = 0.3649 0.3214-0.1351 ( 5018 PWs) bands (ev): -16.4918 -16.4918 -16.3487 -16.3487 -11.2624 -11.2624 -10.6850 -10.6850 -10.5779 -10.5779 -10.2631 -10.2631 -5.4224 -5.4224 -4.6888 -4.6888 -3.9061 -3.9061 -3.8452 -3.8452 -3.7831 -3.7831 -3.5379 -3.5379 -2.4459 -2.4459 -2.3188 -2.3188 -1.9909 -1.9909 -1.8542 -1.8542 -1.7405 -1.7405 -1.0845 -1.0845 -0.5497 -0.5497 -0.0284 -0.0284 0.7046 0.7046 0.9312 0.9312 1.2658 1.2658 1.4240 1.4240 1.4983 1.4983 1.9892 1.9892 2.0295 2.0295 7.3456 7.3456 8.0665 8.0665 8.9665 8.9665 9.7373 9.7373 9.8272 9.8272 k = 0.3784 0.3333-0.1401 ( 5024 PWs) bands (ev): -16.4890 -16.4890 -16.3507 -16.3507 -11.2737 -11.2737 -10.6911 -10.6911 -10.5686 -10.5686 -10.2567 -10.2567 -5.4163 -5.4163 -4.6878 -4.6878 -3.8969 -3.8969 -3.8370 -3.8370 -3.7834 -3.7834 -3.5559 -3.5559 -2.4471 -2.4471 -2.3178 -2.3178 -1.9921 -1.9921 -1.8536 -1.8536 -1.7393 -1.7393 -1.0795 -1.0795 -0.5557 -0.5557 -0.0336 -0.0336 0.7331 0.7331 0.9355 0.9355 1.2463 1.2463 1.4081 1.4081 1.4982 1.4982 1.9810 1.9810 2.0292 2.0292 7.3842 7.3842 8.0206 8.0206 8.9402 8.9402 9.7445 9.7445 9.8246 9.8246 k = 0.3919 0.3452-0.1451 ( 5030 PWs) bands (ev): -16.4865 -16.4865 -16.3527 -16.3527 -11.2839 -11.2839 -10.6967 -10.6967 -10.5601 -10.5601 -10.2510 -10.2510 -5.4107 -5.4107 -4.6869 -4.6869 -3.8882 -3.8882 -3.8288 -3.8288 -3.7840 -3.7840 -3.5731 -3.5731 -2.4483 -2.4483 -2.3171 -2.3171 -1.9933 -1.9933 -1.8532 -1.8532 -1.7382 -1.7382 -1.0742 -1.0742 -0.5616 -0.5616 -0.0384 -0.0384 0.7629 0.7629 0.9398 0.9398 1.2260 1.2260 1.3932 1.3932 1.4987 1.4987 1.9707 1.9707 2.0298 2.0298 7.4212 7.4212 7.9769 7.9769 8.9163 8.9163 9.7523 9.7523 9.8217 9.8217 k = 0.4054 0.3572-0.1501 ( 5036 PWs) bands (ev): -16.4843 -16.4843 -16.3544 -16.3544 -11.2930 -11.2930 -10.7017 -10.7017 -10.5524 -10.5524 -10.2459 -10.2459 -5.4058 -5.4058 -4.6861 -4.6861 -3.8799 -3.8799 -3.8205 -3.8205 -3.7850 -3.7850 -3.5896 -3.5896 -2.4495 -2.4495 -2.3165 -2.3165 -1.9945 -1.9945 -1.8529 -1.8529 -1.7372 -1.7372 -1.0687 -1.0687 -0.5672 -0.5672 -0.0425 -0.0425 0.7935 0.7935 0.9442 0.9442 1.2049 1.2049 1.3794 1.3794 1.4996 1.4996 1.9591 1.9591 2.0308 2.0308 7.4566 7.4566 7.9355 7.9355 8.8950 8.8950 9.7602 9.7602 9.8188 9.8188 k = 0.4189 0.3691-0.1551 ( 5034 PWs) bands (ev): -16.4823 -16.4823 -16.3559 -16.3559 -11.3010 -11.3010 -10.7061 -10.7061 -10.5456 -10.5456 -10.2414 -10.2414 -5.4014 -5.4014 -4.6854 -4.6854 -3.8722 -3.8722 -3.8123 -3.8123 -3.7863 -3.7863 -3.6051 -3.6051 -2.4505 -2.4505 -2.3161 -2.3161 -1.9955 -1.9955 -1.8527 -1.8527 -1.7362 -1.7362 -1.0633 -1.0633 -0.5725 -0.5725 -0.0461 -0.0461 0.8244 0.8244 0.9488 0.9488 1.1829 1.1829 1.3668 1.3668 1.5009 1.5009 1.9470 1.9470 2.0320 2.0320 7.4904 7.4904 7.8963 7.8963 8.8763 8.8763 9.7679 9.7679 9.8161 9.8161 k = 0.4324 0.3810-0.1601 ( 5032 PWs) bands (ev): -16.4806 -16.4806 -16.3572 -16.3572 -11.3078 -11.3078 -10.7099 -10.7099 -10.5397 -10.5397 -10.2375 -10.2375 -5.3977 -5.3977 -4.6848 -4.6848 -3.8652 -3.8652 -3.8044 -3.8044 -3.7877 -3.7877 -3.6194 -3.6194 -2.4514 -2.4514 -2.3158 -2.3158 -1.9964 -1.9964 -1.8525 -1.8525 -1.7354 -1.7354 -1.0582 -1.0582 -0.5773 -0.5773 -0.0492 -0.0492 0.8552 0.8552 0.9535 0.9535 1.1600 1.1600 1.3557 1.3557 1.5024 1.5024 1.9353 1.9353 2.0332 2.0332 7.5227 7.5227 7.8594 7.8594 8.8604 8.8604 9.7750 9.7750 9.8138 9.8138 k = 0.4459 0.3929-0.1652 ( 5032 PWs) bands (ev): -16.4792 -16.4792 -16.3583 -16.3583 -11.3134 -11.3134 -10.7131 -10.7131 -10.5349 -10.5349 -10.2344 -10.2344 -5.3947 -5.3947 -4.6843 -4.6843 -3.8590 -3.8590 -3.7975 -3.7975 -3.7886 -3.7886 -3.6322 -3.6322 -2.4521 -2.4521 -2.3157 -2.3157 -1.9972 -1.9972 -1.8523 -1.8523 -1.7347 -1.7347 -1.0538 -1.0538 -0.5814 -0.5814 -0.0517 -0.0517 0.8849 0.8849 0.9588 0.9588 1.1362 1.1362 1.3463 1.3463 1.5039 1.5039 1.9246 1.9246 2.0343 2.0343 7.5535 7.5535 7.8248 7.8248 8.8473 8.8473 9.7812 9.7812 9.8118 9.8118 k = 0.4595 0.4048-0.1702 ( 5041 PWs) bands (ev): -16.4780 -16.4780 -16.3591 -16.3591 -11.3178 -11.3178 -10.7156 -10.7156 -10.5311 -10.5311 -10.2319 -10.2319 -5.3923 -5.3923 -4.6840 -4.6840 -3.8538 -3.8538 -3.7941 -3.7941 -3.7869 -3.7869 -3.6432 -3.6432 -2.4528 -2.4528 -2.3156 -2.3156 -1.9979 -1.9979 -1.8522 -1.8522 -1.7342 -1.7342 -1.0500 -1.0500 -0.5848 -0.5848 -0.0537 -0.0537 0.9114 0.9114 0.9661 0.9661 1.1116 1.1116 1.3388 1.3388 1.5054 1.5054 1.9156 1.9156 2.0352 2.0352 7.5825 7.5825 7.7927 7.7927 8.8371 8.8371 9.7863 9.7863 9.8102 9.8102 k = 0.4730 0.4167-0.1752 ( 5037 PWs) bands (ev): -16.4772 -16.4772 -16.3597 -16.3597 -11.3209 -11.3209 -10.7174 -10.7174 -10.5283 -10.5283 -10.2301 -10.2301 -5.3905 -5.3905 -4.6837 -4.6837 -3.8498 -3.8498 -3.7944 -3.7944 -3.7825 -3.7825 -3.6517 -3.6517 -2.4532 -2.4532 -2.3156 -2.3156 -1.9984 -1.9984 -1.8522 -1.8522 -1.7338 -1.7338 -1.0472 -1.0472 -0.5873 -0.5873 -0.0550 -0.0550 0.9310 0.9310 0.9785 0.9785 1.0865 1.0865 1.3332 1.3332 1.5066 1.5066 1.9087 1.9087 2.0358 2.0358 7.6092 7.6092 7.7638 7.7638 8.8298 8.8298 9.7900 9.7900 9.8091 9.8091 k = 0.4865 0.4286-0.1802 ( 5038 PWs) bands (ev): -16.4768 -16.4768 -16.3601 -16.3601 -11.3228 -11.3228 -10.7185 -10.7185 -10.5266 -10.5266 -10.2291 -10.2291 -5.3895 -5.3895 -4.6835 -4.6835 -3.8472 -3.8472 -3.7951 -3.7951 -3.7791 -3.7791 -3.6572 -3.6572 -2.4535 -2.4535 -2.3155 -2.3155 -1.9987 -1.9987 -1.8521 -1.8521 -1.7336 -1.7336 -1.0455 -1.0455 -0.5888 -0.5888 -0.0559 -0.0559 0.9408 0.9408 0.9971 0.9971 1.0625 1.0625 1.3299 1.3299 1.5073 1.5073 1.9044 1.9044 2.0362 2.0362 7.6309 7.6309 7.7407 7.7407 8.8254 8.8254 9.7923 9.7923 9.8084 9.8084 k = 0.5000 0.4405-0.1852 ( 5042 PWs) bands (ev): -16.4766 -16.4766 -16.3602 -16.3602 -11.3235 -11.3235 -10.7188 -10.7188 -10.5261 -10.5261 -10.2287 -10.2287 -5.3892 -5.3892 -4.6835 -4.6835 -3.8464 -3.8464 -3.7954 -3.7954 -3.7778 -3.7778 -3.6591 -3.6591 -2.4536 -2.4536 -2.3155 -2.3155 -1.9988 -1.9988 -1.8521 -1.8521 -1.7335 -1.7335 -1.0449 -1.0449 -0.5893 -0.5893 -0.0562 -0.0562 0.9434 0.9434 1.0099 1.0099 1.0484 1.0484 1.3287 1.3287 1.5076 1.5076 1.9029 1.9029 2.0364 2.0364 7.6404 7.6404 7.7308 7.7308 8.8239 8.8239 9.7931 9.7931 9.8082 9.8082 k = 0.5000 0.4405-0.1852 ( 5042 PWs) bands (ev): -16.4766 -16.4766 -16.3602 -16.3602 -11.3235 -11.3235 -10.7188 -10.7188 -10.5261 -10.5261 -10.2287 -10.2287 -5.3892 -5.3892 -4.6835 -4.6835 -3.8464 -3.8464 -3.7954 -3.7954 -3.7778 -3.7778 -3.6591 -3.6591 -2.4536 -2.4536 -2.3155 -2.3155 -1.9988 -1.9988 -1.8521 -1.8521 -1.7335 -1.7335 -1.0449 -1.0449 -0.5893 -0.5893 -0.0562 -0.0562 0.9434 0.9434 1.0099 1.0099 1.0484 1.0484 1.3287 1.3287 1.5076 1.5076 1.9029 1.9029 2.0364 2.0364 7.6404 7.6404 7.7308 7.7308 8.8239 8.8239 9.7931 9.7931 9.8082 9.8082 k = 0.5038 0.4439-0.1669 ( 5040 PWs) bands (ev): -16.4764 -16.4764 -16.3601 -16.3601 -11.3232 -11.3232 -10.7186 -10.7186 -10.5264 -10.5264 -10.2294 -10.2294 -5.3890 -5.3890 -4.6834 -4.6834 -3.8578 -3.8578 -3.7866 -3.7866 -3.7764 -3.7764 -3.6595 -3.6595 -2.4532 -2.4532 -2.3157 -2.3157 -1.9981 -1.9981 -1.8524 -1.8524 -1.7336 -1.7336 -1.0472 -1.0472 -0.5864 -0.5864 -0.0558 -0.0558 0.9429 0.9429 1.0056 1.0056 1.0528 1.0528 1.3302 1.3302 1.5064 1.5064 1.9019 1.9019 2.0359 2.0359 7.6359 7.6359 7.7391 7.7391 8.8237 8.8237 9.7950 9.7950 9.8080 9.8080 k = 0.5076 0.4472-0.1486 ( 5037 PWs) bands (ev): -16.4759 -16.4759 -16.3597 -16.3597 -11.3224 -11.3224 -10.7179 -10.7179 -10.5273 -10.5273 -10.2315 -10.2315 -5.3885 -5.3885 -4.6830 -4.6830 -3.8808 -3.8808 -3.7811 -3.7811 -3.7622 -3.7622 -3.6606 -3.6606 -2.4522 -2.4522 -2.3160 -2.3160 -1.9958 -1.9958 -1.8534 -1.8534 -1.7341 -1.7341 -1.0537 -1.0537 -0.5778 -0.5778 -0.0546 -0.0546 0.9410 0.9410 0.9962 0.9962 1.0623 1.0623 1.3344 1.3344 1.5029 1.5029 1.8989 1.8989 2.0346 2.0346 7.6261 7.6261 7.7605 7.7605 8.8232 8.8232 9.8004 9.8004 9.8077 9.8077 k = 0.5115 0.4506-0.1302 ( 5041 PWs) bands (ev): -16.4750 -16.4750 -16.3591 -16.3591 -11.3211 -11.3211 -10.7167 -10.7167 -10.5289 -10.5289 -10.2350 -10.2350 -5.3877 -5.3877 -4.6825 -4.6825 -3.9073 -3.9073 -3.7814 -3.7814 -3.7411 -3.7411 -3.6626 -3.6626 -2.4505 -2.4505 -2.3166 -2.3166 -1.9922 -1.9922 -1.8550 -1.8550 -1.7349 -1.7349 -1.0641 -1.0641 -0.5641 -0.5641 -0.0527 -0.0527 0.9375 0.9375 0.9857 0.9857 1.0737 1.0737 1.3413 1.3413 1.4972 1.4972 1.8940 1.8940 2.0323 2.0323 7.6158 7.6158 7.7899 7.7899 8.8223 8.8223 9.8065 9.8065 9.8101 9.8101 k = 0.5153 0.4539-0.1119 ( 5038 PWs) bands (ev): -16.4739 -16.4739 -16.3582 -16.3582 -11.3193 -11.3193 -10.7151 -10.7151 -10.5310 -10.5310 -10.2399 -10.2399 -5.3867 -5.3867 -4.6817 -4.6817 -3.9354 -3.9354 -3.7825 -3.7825 -3.7197 -3.7197 -3.6652 -3.6652 -2.4482 -2.4482 -2.3175 -2.3175 -1.9873 -1.9873 -1.8571 -1.8571 -1.7359 -1.7359 -1.0774 -1.0774 -0.5460 -0.5460 -0.0501 -0.0501 0.9313 0.9313 0.9763 0.9763 1.0854 1.0854 1.3510 1.3510 1.4893 1.4893 1.8871 1.8871 2.0294 2.0294 7.6073 7.6073 7.8246 7.8246 8.8211 8.8211 9.8063 9.8063 9.8224 9.8224 k = 0.5191 0.4573-0.0936 ( 5036 PWs) bands (ev): -16.4723 -16.4723 -16.3571 -16.3571 -11.3169 -11.3169 -10.7131 -10.7131 -10.5338 -10.5338 -10.2461 -10.2461 -5.3853 -5.3853 -4.6806 -4.6806 -3.9646 -3.9646 -3.7842 -3.7842 -3.6990 -3.6990 -3.6685 -3.6685 -2.4452 -2.4452 -2.3186 -2.3186 -1.9812 -1.9812 -1.8597 -1.8597 -1.7370 -1.7370 -1.0930 -1.0930 -0.5242 -0.5242 -0.0471 -0.0471 0.9220 0.9220 0.9692 0.9692 1.0971 1.0971 1.3633 1.3633 1.4793 1.4793 1.8785 1.8785 2.0257 2.0257 7.6015 7.6015 7.8634 7.8634 8.8199 8.8199 9.8060 9.8060 9.8380 9.8380 k = 0.5229 0.4607-0.0753 ( 5046 PWs) bands (ev): -16.4705 -16.4705 -16.3557 -16.3557 -11.3141 -11.3141 -10.7106 -10.7106 -10.5371 -10.5371 -10.2535 -10.2535 -5.3836 -5.3836 -4.6793 -4.6793 -3.9946 -3.9946 -3.7865 -3.7865 -3.6794 -3.6794 -3.6723 -3.6723 -2.4416 -2.4416 -2.3202 -2.3202 -1.9741 -1.9741 -1.8627 -1.8627 -1.7382 -1.7382 -1.1101 -1.1101 -0.4995 -0.4995 -0.0437 -0.0437 0.9097 0.9097 0.9644 0.9644 1.1086 1.1086 1.3780 1.3780 1.4676 1.4676 1.8682 1.8682 2.0215 2.0215 7.5987 7.5987 7.9053 7.9053 8.8186 8.8186 9.8061 9.8061 9.8566 9.8566 k = 0.5267 0.4640-0.0570 ( 5047 PWs) bands (ev): -16.4684 -16.4684 -16.3542 -16.3542 -11.3108 -11.3108 -10.7077 -10.7077 -10.5410 -10.5410 -10.2621 -10.2621 -5.3817 -5.3817 -4.6776 -4.6776 -4.0251 -4.0251 -3.7894 -3.7894 -3.6774 -3.6774 -3.6600 -3.6600 -2.4373 -2.4373 -2.3222 -2.3222 -1.9663 -1.9663 -1.8661 -1.8661 -1.7394 -1.7394 -1.1280 -1.1280 -0.4725 -0.4725 -0.0400 -0.0400 0.8953 0.8953 0.9612 0.9612 1.1197 1.1197 1.3950 1.3950 1.4544 1.4544 1.8564 1.8564 2.0169 2.0169 7.5990 7.5990 7.9497 7.9497 8.8178 8.8178 9.8069 9.8069 9.8776 9.8776 k = 0.5305 0.4674-0.0387 ( 5045 PWs) bands (ev): -16.4659 -16.4659 -16.3524 -16.3524 -11.3070 -11.3070 -10.7044 -10.7044 -10.5455 -10.5455 -10.2719 -10.2719 -5.3795 -5.3795 -4.6757 -4.6757 -4.0559 -4.0559 -3.7931 -3.7931 -3.6825 -3.6825 -3.6423 -3.6423 -2.4325 -2.4325 -2.3246 -2.3246 -1.9581 -1.9581 -1.8698 -1.8698 -1.7404 -1.7404 -1.1461 -1.1461 -0.4437 -0.4437 -0.0364 -0.0364 0.8796 0.8796 0.9589 0.9589 1.1305 1.1305 1.4132 1.4132 1.4406 1.4406 1.8432 1.8432 2.0122 2.0122 7.6022 7.6022 7.9957 7.9957 8.8176 8.8176 9.8085 9.8085 9.9007 9.9007 k = 0.5344 0.4708-0.0204 ( 5047 PWs) bands (ev): -16.4632 -16.4632 -16.3504 -16.3504 -11.3028 -11.3028 -10.7007 -10.7007 -10.5504 -10.5504 -10.2827 -10.2827 -5.3771 -5.3771 -4.6734 -4.6734 -4.0871 -4.0871 -3.7977 -3.7977 -3.6881 -3.6881 -3.6256 -3.6256 -2.4270 -2.4270 -2.3275 -2.3275 -1.9498 -1.9498 -1.8735 -1.8735 -1.7412 -1.7412 -1.1640 -1.1640 -0.4135 -0.4135 -0.0329 -0.0329 0.8630 0.8630 0.9572 0.9572 1.1408 1.1408 1.4193 1.4193 1.4398 1.4398 1.8289 1.8289 2.0074 2.0074 7.6081 7.6081 8.0426 8.0426 8.8186 8.8186 9.8110 9.8110 9.9255 9.9255 k = 0.5382 0.4741-0.0021 ( 5041 PWs) bands (ev): -16.4602 -16.4602 -16.3482 -16.3482 -11.2983 -11.2983 -10.6967 -10.6967 -10.5558 -10.5558 -10.2945 -10.2945 -5.3744 -5.3744 -4.6707 -4.6707 -4.1183 -4.1183 -3.8032 -3.8032 -3.6940 -3.6940 -3.6099 -3.6099 -2.4208 -2.4208 -2.3310 -2.3310 -1.9417 -1.9417 -1.8772 -1.8772 -1.7416 -1.7416 -1.1812 -1.1812 -0.3822 -0.3822 -0.0297 -0.0297 0.8460 0.8460 0.9559 0.9559 1.1505 1.1505 1.4043 1.4043 1.4607 1.4607 1.8136 1.8136 2.0031 2.0031 7.6166 7.6166 8.0892 8.0892 8.8215 8.8215 9.8145 9.8145 9.9512 9.9512 k = 0.5420 0.4775 0.0162 ( 5044 PWs) bands (ev): -16.4570 -16.4570 -16.3458 -16.3458 -11.2934 -11.2934 -10.6923 -10.6923 -10.5617 -10.5617 -10.3071 -10.3071 -5.3716 -5.3716 -4.6677 -4.6677 -4.1496 -4.1496 -3.8098 -3.8098 -3.7003 -3.7003 -3.5953 -3.5953 -2.4141 -2.4141 -2.3350 -2.3350 -1.9344 -1.9344 -1.8808 -1.8808 -1.7417 -1.7417 -1.1974 -1.1974 -0.3501 -0.3501 -0.0270 -0.0270 0.8288 0.8288 0.9549 0.9549 1.1596 1.1596 1.3872 1.3872 1.4846 1.4846 1.7976 1.7976 1.9993 1.9993 7.6273 7.6273 8.1345 8.1345 8.8270 8.8270 9.8187 9.8187 9.9775 9.9775 k = 0.5458 0.4808 0.0345 ( 5040 PWs) bands (ev): -16.4536 -16.4536 -16.3432 -16.3432 -11.2881 -11.2881 -10.6876 -10.6876 -10.5680 -10.5680 -10.3204 -10.3204 -5.3686 -5.3686 -4.6643 -4.6643 -4.1809 -4.1809 -3.8176 -3.8176 -3.7066 -3.7066 -3.5817 -3.5817 -2.4067 -2.4067 -2.3396 -2.3396 -1.9282 -1.9282 -1.8838 -1.8838 -1.7413 -1.7413 -1.2122 -1.2122 -0.3176 -0.3176 -0.0250 -0.0250 0.8115 0.8115 0.9540 0.9540 1.1679 1.1679 1.3697 1.3697 1.5096 1.5096 1.7811 1.7811 1.9966 1.9966 7.6399 7.6399 8.1773 8.1773 8.8363 8.8363 9.8232 9.8232 10.0038 10.0038 k = 0.5496 0.4842 0.0528 ( 5040 PWs) bands (ev): -16.4500 -16.4500 -16.3406 -16.3406 -11.2826 -11.2826 -10.6827 -10.6827 -10.5747 -10.5747 -10.3344 -10.3344 -5.3654 -5.3654 -4.6604 -4.6604 -4.2119 -4.2119 -3.8267 -3.8267 -3.7131 -3.7131 -3.5692 -3.5692 -2.3987 -2.3987 -2.3447 -2.3447 -1.9237 -1.9237 -1.8862 -1.8862 -1.7406 -1.7406 -1.2255 -1.2255 -0.2847 -0.2847 -0.0236 -0.0236 0.7945 0.7945 0.9533 0.9533 1.1750 1.1750 1.3525 1.3525 1.5350 1.5350 1.7644 1.7644 1.9952 1.9952 7.6541 7.6541 8.2161 8.2161 8.8505 8.8505 9.8272 9.8272 10.0293 10.0293 k = 0.5534 0.4876 0.0711 ( 5036 PWs) bands (ev): -16.4462 -16.4462 -16.3377 -16.3377 -11.2769 -11.2769 -10.6775 -10.6775 -10.5817 -10.5817 -10.3488 -10.3488 -5.3621 -5.3621 -4.6561 -4.6561 -4.2426 -4.2426 -3.8371 -3.8371 -3.7195 -3.7195 -3.5576 -3.5576 -2.3902 -2.3902 -2.3503 -2.3503 -1.9210 -1.9210 -1.8876 -1.8876 -1.7397 -1.7397 -1.2371 -1.2371 -0.2516 -0.2516 -0.0232 -0.0232 0.7777 0.7777 0.9528 0.9528 1.1804 1.1804 1.3366 1.3366 1.5601 1.5601 1.7477 1.7477 1.9958 1.9958 7.6694 7.6694 8.2500 8.2500 8.8704 8.8704 9.8289 9.8289 10.0533 10.0533 k = 0.5573 0.4909 0.0895 ( 5032 PWs) bands (ev): -16.4423 -16.4423 -16.3348 -16.3348 -11.2710 -11.2710 -10.6721 -10.6721 -10.5890 -10.5890 -10.3636 -10.3636 -5.3586 -5.3586 -4.6513 -4.6513 -4.2730 -4.2730 -3.8488 -3.8488 -3.7259 -3.7259 -3.5471 -3.5471 -2.3814 -2.3814 -2.3563 -2.3563 -1.9202 -1.9202 -1.8880 -1.8880 -1.7386 -1.7386 -1.2469 -1.2469 -0.2185 -0.2185 -0.0237 -0.0237 0.7615 0.7615 0.9525 0.9525 1.1833 1.1833 1.3229 1.3229 1.5842 1.5842 1.7316 1.7316 1.9988 1.9988 7.6854 7.6854 8.2780 8.2780 8.8969 8.8969 9.8254 9.8254 10.0336 10.0336 k = 0.5611 0.4943 0.1078 ( 5032 PWs) bands (ev): -16.4383 -16.4383 -16.3317 -16.3317 -11.2649 -11.2649 -10.6665 -10.6665 -10.5965 -10.5965 -10.3786 -10.3786 -5.3552 -5.3552 -4.6461 -4.6461 -4.3029 -4.3029 -3.8619 -3.8619 -3.7321 -3.7321 -3.5376 -3.5376 -2.3739 -2.3739 -2.3610 -2.3610 -1.9209 -1.9209 -1.8877 -1.8877 -1.7377 -1.7377 -1.2548 -1.2548 -0.1855 -0.1855 -0.0252 -0.0252 0.7460 0.7460 0.9524 0.9524 1.1824 1.1824 1.3128 1.3128 1.6065 1.6065 1.7162 1.7162 2.0046 2.0046 7.7015 7.7015 8.3002 8.3002 8.9302 8.9302 9.8125 9.8125 10.0106 10.0106 k = 0.5649 0.4977 0.1261 ( 5038 PWs) bands (ev): -16.4342 -16.4342 -16.3286 -16.3286 -11.2588 -11.2588 -10.6608 -10.6608 -10.6043 -10.6043 -10.3937 -10.3937 -5.3517 -5.3517 -4.6404 -4.6404 -4.3322 -4.3322 -3.8763 -3.8763 -3.7381 -3.7381 -3.5290 -3.5290 -2.3750 -2.3750 -2.3572 -2.3572 -1.9227 -1.9227 -1.8872 -1.8872 -1.7370 -1.7370 -1.2610 -1.2610 -0.1527 -0.1527 -0.0278 -0.0278 0.7313 0.7313 0.9524 0.9524 1.1769 1.1769 1.3075 1.3075 1.6256 1.6256 1.7026 1.7026 2.0139 2.0139 7.7172 7.7172 8.3170 8.3170 8.9698 8.9698 9.7880 9.7880 10.0013 10.0013 k = 0.5687 0.5010 0.1444 ( 5037 PWs) bands (ev): -16.4300 -16.4300 -16.3253 -16.3253 -11.2526 -11.2526 -10.6550 -10.6550 -10.6122 -10.6122 -10.4087 -10.4087 -5.3481 -5.3481 -4.6343 -4.6343 -4.3609 -4.3609 -3.8919 -3.8919 -3.7440 -3.7440 -3.5214 -3.5214 -2.3822 -2.3822 -2.3474 -2.3474 -1.9249 -1.9249 -1.8867 -1.8867 -1.7367 -1.7367 -1.2655 -1.2655 -0.1201 -0.1201 -0.0313 -0.0313 0.7177 0.7177 0.9527 0.9527 1.1666 1.1666 1.3071 1.3071 1.6395 1.6395 1.6925 1.6925 2.0267 2.0267 7.7319 7.7319 8.3296 8.3296 9.0149 9.0149 9.7536 9.7536 10.0043 10.0043 k = 0.5725 0.5044 0.1627 ( 5036 PWs) bands (ev): -16.4258 -16.4258 -16.3221 -16.3221 -11.2465 -11.2465 -10.6492 -10.6492 -10.6203 -10.6203 -10.4234 -10.4234 -5.3445 -5.3445 -4.6277 -4.6277 -4.3888 -4.3888 -3.9086 -3.9086 -3.7495 -3.7495 -3.5148 -3.5148 -2.3908 -2.3908 -2.3364 -2.3364 -1.9273 -1.9273 -1.8866 -1.8866 -1.7369 -1.7369 -1.2687 -1.2687 -0.0880 -0.0880 -0.0358 -0.0358 0.7053 0.7053 0.9533 0.9533 1.1524 1.1524 1.3111 1.3111 1.6445 1.6445 1.6895 1.6895 2.0432 2.0432 7.7448 7.7448 8.3394 8.3394 9.0645 9.0645 9.7131 9.7131 10.0159 10.0159 k = 0.5764 0.5078 0.1810 ( 5036 PWs) bands (ev): -16.4216 -16.4216 -16.3188 -16.3188 -11.2406 -11.2406 -10.6433 -10.6433 -10.6284 -10.6284 -10.4378 -10.4378 -5.3410 -5.3410 -4.6207 -4.6207 -4.4159 -4.4159 -3.9264 -3.9264 -3.7548 -3.7548 -3.5092 -3.5092 -2.4001 -2.4001 -2.3247 -2.3247 -1.9297 -1.9297 -1.8867 -1.8867 -1.7375 -1.7375 -1.2708 -1.2708 -0.0575 -0.0575 -0.0399 -0.0399 0.6942 0.6942 0.9541 0.9541 1.1354 1.1354 1.3185 1.3185 1.6402 1.6402 1.6941 1.6941 2.0632 2.0632 7.7553 7.7553 8.3479 8.3479 9.1172 9.1172 9.6695 9.6695 10.0334 10.0334 k = 0.5802 0.5111 0.1993 ( 5029 PWs) bands (ev): -16.4175 -16.4175 -16.3155 -16.3155 -11.2347 -11.2347 -10.6376 -10.6376 -10.6365 -10.6365 -10.4516 -10.4516 -5.3375 -5.3375 -4.6134 -4.6134 -4.4422 -4.4422 -3.9451 -3.9451 -3.7597 -3.7597 -3.5046 -3.5046 -2.4100 -2.4100 -2.3128 -2.3128 -1.9320 -1.9320 -1.8870 -1.8870 -1.7385 -1.7385 -1.2722 -1.2722 -0.0502 -0.0502 -0.0221 -0.0221 0.6847 0.6847 0.9552 0.9552 1.1167 1.1167 1.3282 1.3282 1.6318 1.6318 1.7015 1.7015 2.0863 2.0863 7.7627 7.7627 8.3567 8.3567 9.1719 9.1719 9.6247 9.6247 10.0547 10.0547 k = 0.5840 0.5145 0.2176 ( 5029 PWs) bands (ev): -16.4134 -16.4134 -16.3122 -16.3122 -11.2292 -11.2292 -10.6447 -10.6447 -10.6319 -10.6319 -10.4647 -10.4647 -5.3341 -5.3341 -4.6057 -4.6057 -4.4675 -4.4675 -3.9645 -3.9645 -3.7643 -3.7643 -3.5010 -3.5010 -2.4203 -2.4203 -2.3007 -2.3007 -1.9343 -1.9343 -1.8875 -1.8875 -1.7397 -1.7397 -1.2732 -1.2732 -0.0570 -0.0570 0.0087 0.0087 0.6767 0.6767 0.9566 0.9566 1.0970 1.0970 1.3396 1.3396 1.6226 1.6226 1.7088 1.7088 2.1117 2.1117 7.7665 7.7665 8.3669 8.3669 9.2277 9.2277 9.5799 9.5799 10.0786 10.0786 k = 0.5878 0.5178 0.2359 ( 5031 PWs) bands (ev): -16.4095 -16.4095 -16.3090 -16.3090 -11.2239 -11.2239 -10.6528 -10.6528 -10.6265 -10.6265 -10.4768 -10.4768 -5.3308 -5.3308 -4.5978 -4.5978 -4.4919 -4.4919 -3.9846 -3.9846 -3.7684 -3.7684 -3.4983 -3.4983 -2.4309 -2.4309 -2.2885 -2.2885 -1.9365 -1.9365 -1.8881 -1.8881 -1.7411 -1.7411 -1.2742 -1.2742 -0.0651 -0.0651 0.0398 0.0398 0.6704 0.6704 0.9581 0.9581 1.0770 1.0770 1.3521 1.3521 1.6140 1.6140 1.7152 1.7152 2.1387 2.1387 7.7663 7.7663 8.3796 8.3796 9.2836 9.2836 9.5358 9.5358 10.0819 10.0819 k = 0.5916 0.5212 0.2542 ( 5027 PWs) bands (ev): -16.4056 -16.4056 -16.3058 -16.3058 -11.2191 -11.2191 -10.6607 -10.6607 -10.6214 -10.6214 -10.4880 -10.4880 -5.3277 -5.3277 -4.5896 -4.5896 -4.5151 -4.5151 -4.0051 -4.0051 -3.7720 -3.7720 -3.4966 -3.4966 -2.4417 -2.4417 -2.2765 -2.2765 -1.9388 -1.9388 -1.8887 -1.8887 -1.7425 -1.7425 -1.2755 -1.2755 -0.0740 -0.0740 0.0708 0.0708 0.6658 0.6658 0.9596 0.9596 1.0573 1.0573 1.3655 1.3655 1.6064 1.6064 1.7209 1.7209 2.1668 2.1668 7.7621 7.7621 8.3951 8.3951 9.3388 9.3388 9.4928 9.4928 10.0461 10.0461 k = 0.5954 0.5246 0.2725 ( 5020 PWs) bands (ev): -16.4020 -16.4020 -16.3026 -16.3026 -11.2146 -11.2146 -10.6685 -10.6685 -10.6166 -10.6166 -10.4978 -10.4978 -5.3246 -5.3246 -4.5815 -4.5815 -4.5372 -4.5372 -4.0259 -4.0259 -3.7750 -3.7750 -3.4959 -3.4959 -2.4527 -2.4527 -2.2648 -2.2648 -1.9411 -1.9411 -1.8891 -1.8891 -1.7438 -1.7438 -1.2774 -1.2774 -0.0834 -0.0834 0.1018 0.1018 0.6629 0.6629 0.9606 0.9606 1.0386 1.0386 1.3791 1.3791 1.6003 1.6003 1.7259 1.7259 2.1951 2.1951 7.7540 7.7540 8.4136 8.4136 9.3924 9.3924 9.4513 9.4513 9.9997 9.9997 k = 0.5993 0.5279 0.2908 ( 5018 PWs) bands (ev): -16.3985 -16.3985 -16.2996 -16.2996 -11.2106 -11.2106 -10.6761 -10.6761 -10.6122 -10.6122 -10.5064 -10.5064 -5.3218 -5.3218 -4.5734 -4.5734 -4.5580 -4.5580 -4.0468 -4.0468 -3.7774 -3.7774 -3.4962 -3.4962 -2.4638 -2.4638 -2.2534 -2.2534 -1.9436 -1.9436 -1.8893 -1.8893 -1.7449 -1.7449 -1.2801 -1.2801 -0.0931 -0.0931 0.1328 0.1328 0.6617 0.6617 0.9602 0.9602 1.0222 1.0222 1.3925 1.3925 1.5959 1.5959 1.7306 1.7306 2.2232 2.2232 7.7424 7.7424 8.4349 8.4349 9.4113 9.4113 9.4437 9.4437 9.9450 9.9450 k = 0.6031 0.5313 0.3092 ( 5017 PWs) bands (ev): -16.3953 -16.3953 -16.2967 -16.2967 -11.2071 -11.2071 -10.6835 -10.6835 -10.6084 -10.6084 -10.5134 -10.5134 -5.3192 -5.3192 -4.5783 -4.5783 -4.5649 -4.5649 -4.0676 -4.0676 -3.7791 -3.7791 -3.4974 -3.4974 -2.4748 -2.4748 -2.2426 -2.2426 -1.9462 -1.9462 -1.8892 -1.8892 -1.7458 -1.7458 -1.2837 -1.2837 -0.1030 -0.1030 0.1638 0.1638 0.6621 0.6621 0.9564 0.9564 1.0104 1.0104 1.4051 1.4051 1.5937 1.5937 1.7351 1.7351 2.2503 2.2503 7.7277 7.7277 8.4584 8.4584 9.3735 9.3735 9.4900 9.4900 9.8855 9.8855 k = 0.6069 0.5347 0.3275 ( 5017 PWs) bands (ev): -16.3924 -16.3924 -16.2939 -16.2939 -11.2042 -11.2042 -10.6906 -10.6906 -10.6051 -10.6051 -10.5188 -10.5188 -5.3168 -5.3168 -4.5966 -4.5966 -4.5574 -4.5574 -4.0879 -4.0879 -3.7801 -3.7801 -3.4995 -3.4995 -2.4856 -2.4856 -2.2325 -2.2325 -1.9491 -1.9491 -1.8888 -1.8888 -1.7464 -1.7464 -1.2883 -1.2883 -0.1128 -0.1128 0.1949 0.1949 0.6640 0.6640 0.9475 0.9475 1.0051 1.0051 1.4163 1.4163 1.5940 1.5940 1.7396 1.7396 2.2762 2.2762 7.7106 7.7106 8.4835 8.4835 9.3377 9.3377 9.5273 9.5273 9.8275 9.8275 k = 0.6107 0.5380 0.3458 ( 5014 PWs) bands (ev): -16.3897 -16.3897 -16.2912 -16.2912 -11.2018 -11.2018 -10.6974 -10.6974 -10.6023 -10.6023 -10.5226 -10.5226 -5.3146 -5.3146 -4.6138 -4.6138 -4.5503 -4.5503 -4.1076 -4.1076 -3.7803 -3.7803 -3.5025 -3.5025 -2.4962 -2.4962 -2.2232 -2.2232 -1.9520 -1.9520 -1.8881 -1.8881 -1.7468 -1.7468 -1.2941 -1.2941 -0.1224 -0.1224 0.2262 0.2262 0.6670 0.6670 0.9347 0.9347 1.0054 1.0054 1.4254 1.4254 1.5972 1.5972 1.7442 1.7442 2.3004 2.3004 7.6916 7.6916 8.5091 8.5091 9.3041 9.3041 9.5453 9.5453 9.7836 9.7836 k = 0.6145 0.5414 0.3641 ( 5011 PWs) bands (ev): -16.3873 -16.3873 -16.2887 -16.2887 -11.1999 -11.1999 -10.7038 -10.7038 -10.6000 -10.6000 -10.5249 -10.5249 -5.3127 -5.3127 -4.6296 -4.6296 -4.5440 -4.5440 -4.1263 -4.1263 -3.7796 -3.7796 -3.5064 -3.5064 -2.5063 -2.5063 -2.2147 -2.2147 -1.9551 -1.9551 -1.8871 -1.8871 -1.7469 -1.7469 -1.3010 -1.3010 -0.1316 -0.1316 0.2576 0.2576 0.6709 0.6709 0.9205 0.9205 1.0093 1.0093 1.4318 1.4318 1.6037 1.6037 1.7489 1.7489 2.3226 2.3226 7.6713 7.6713 8.5344 8.5344 9.2727 9.2727 9.5285 9.5285 9.7711 9.7711 k = 0.6183 0.5447 0.3824 ( 5014 PWs) bands (ev): -16.3852 -16.3852 -16.2863 -16.2863 -11.1986 -11.1986 -10.7099 -10.7099 -10.5980 -10.5980 -10.5258 -10.5258 -5.3111 -5.3111 -4.6440 -4.6440 -4.5387 -4.5387 -4.1437 -4.1437 -3.7781 -3.7781 -3.5112 -3.5112 -2.5161 -2.5161 -2.2072 -2.2072 -1.9582 -1.9582 -1.8860 -1.8860 -1.7469 -1.7469 -1.3090 -1.3090 -0.1401 -0.1401 0.2893 0.2893 0.6752 0.6752 0.9068 0.9068 1.0153 1.0153 1.4354 1.4354 1.6135 1.6135 1.7538 1.7538 2.3424 2.3424 7.6501 7.6501 8.5578 8.5578 9.2436 9.2436 9.4796 9.4796 9.7900 9.7900 k = 0.6183 0.5447 0.3824 ( 5014 PWs) bands (ev): -16.3852 -16.3852 -16.2863 -16.2863 -11.1986 -11.1986 -10.7099 -10.7099 -10.5980 -10.5980 -10.5258 -10.5258 -5.3111 -5.3111 -4.6440 -4.6440 -4.5387 -4.5387 -4.1437 -4.1437 -3.7781 -3.7781 -3.5112 -3.5112 -2.5161 -2.5161 -2.2072 -2.2072 -1.9582 -1.9582 -1.8860 -1.8860 -1.7469 -1.7469 -1.3090 -1.3090 -0.1401 -0.1401 0.2893 0.2893 0.6752 0.6752 0.9068 0.9068 1.0153 1.0153 1.4354 1.4354 1.6135 1.6135 1.7538 1.7538 2.3424 2.3424 7.6501 7.6501 8.5578 8.5578 9.2436 9.2436 9.4796 9.4796 9.7900 9.7900 k = 0.6092 0.5367 0.3966 ( 5019 PWs) bands (ev): -16.3828 -16.3828 -16.2865 -16.2865 -11.2069 -11.2069 -10.7066 -10.7066 -10.5931 -10.5931 -10.5246 -10.5246 -5.3159 -5.3159 -4.6603 -4.6603 -4.5377 -4.5377 -4.1524 -4.1524 -3.7878 -3.7878 -3.5003 -3.5003 -2.5252 -2.5252 -2.2061 -2.2061 -1.9605 -1.9605 -1.8863 -1.8863 -1.7481 -1.7481 -1.3010 -1.3010 -0.1442 -0.1442 0.3175 0.3175 0.7047 0.7047 0.8997 0.8997 1.0352 1.0352 1.4366 1.4366 1.5961 1.5961 1.7585 1.7585 2.3433 2.3433 7.6084 7.6084 8.5404 8.5404 9.2477 9.2477 9.4691 9.4691 9.7660 9.7660 k = 0.6001 0.5287 0.4109 ( 5022 PWs) bands (ev): -16.3805 -16.3805 -16.2867 -16.2867 -11.2147 -11.2147 -10.7034 -10.7034 -10.5883 -10.5883 -10.5235 -10.5235 -5.3205 -5.3205 -4.6759 -4.6759 -4.5368 -4.5368 -4.1605 -4.1605 -3.7967 -3.7967 -3.4901 -3.4901 -2.5339 -2.5339 -2.2050 -2.2050 -1.9627 -1.9627 -1.8865 -1.8865 -1.7491 -1.7491 -1.2934 -1.2934 -0.1483 -0.1483 0.3462 0.3462 0.7334 0.7334 0.8912 0.8912 1.0558 1.0558 1.4366 1.4366 1.5801 1.5801 1.7629 1.7629 2.3433 2.3433 7.5671 7.5671 8.5248 8.5248 9.2513 9.2513 9.4592 9.4592 9.7417 9.7417 k = 0.5910 0.5207 0.4251 ( 5015 PWs) bands (ev): -16.3784 -16.3784 -16.2868 -16.2868 -11.2218 -11.2218 -10.7005 -10.7005 -10.5836 -10.5836 -10.5227 -10.5227 -5.3249 -5.3249 -4.6906 -4.6906 -4.5360 -4.5360 -4.1681 -4.1681 -3.8050 -3.8050 -3.4803 -3.4803 -2.5421 -2.5421 -2.2041 -2.2041 -1.9647 -1.9647 -1.8867 -1.8867 -1.7500 -1.7500 -1.2863 -1.2863 -0.1522 -0.1522 0.3753 0.3753 0.7606 0.7606 0.8814 0.8814 1.0765 1.0765 1.4355 1.4355 1.5659 1.5659 1.7668 1.7668 2.3427 2.3427 7.5267 7.5267 8.5111 8.5111 9.2543 9.2543 9.4500 9.4500 9.7176 9.7176 k = 0.5819 0.5127 0.4394 ( 5019 PWs) bands (ev): -16.3766 -16.3766 -16.2870 -16.2870 -11.2283 -11.2283 -10.6979 -10.6979 -10.5791 -10.5791 -10.5219 -10.5219 -5.3291 -5.3291 -4.7044 -4.7044 -4.5354 -4.5354 -4.1752 -4.1752 -3.8126 -3.8126 -3.4713 -3.4713 -2.5499 -2.5499 -2.2032 -2.2032 -1.9667 -1.9667 -1.8870 -1.8870 -1.7508 -1.7508 -1.2798 -1.2798 -0.1559 -0.1559 0.4048 0.4048 0.7855 0.7855 0.8708 0.8708 1.0968 1.0968 1.4332 1.4332 1.5536 1.5536 1.7703 1.7703 2.3416 2.3416 7.4880 7.4880 8.4992 8.4992 9.2568 9.2568 9.4418 9.4418 9.6941 9.6941 k = 0.5728 0.5046 0.4536 ( 5029 PWs) bands (ev): -16.3749 -16.3749 -16.2871 -16.2871 -11.2343 -11.2343 -10.6955 -10.6955 -10.5748 -10.5748 -10.5214 -10.5214 -5.3330 -5.3330 -4.7170 -4.7170 -4.5349 -4.5349 -4.1816 -4.1816 -3.8194 -3.8194 -3.4630 -3.4630 -2.5570 -2.5570 -2.2024 -2.2024 -1.9685 -1.9685 -1.8872 -1.8872 -1.7515 -1.7515 -1.2738 -1.2738 -0.1594 -0.1594 0.4346 0.4346 0.8057 0.8057 0.8615 0.8615 1.1164 1.1164 1.4301 1.4301 1.5432 1.5432 1.7733 1.7733 2.3400 2.3400 7.4516 7.4516 8.4891 8.4891 9.2588 9.2588 9.4346 9.4346 9.6714 9.6714 k = 0.5637 0.4966 0.4678 ( 5029 PWs) bands (ev): -16.3734 -16.3734 -16.2872 -16.2872 -11.2395 -11.2395 -10.6933 -10.6933 -10.5708 -10.5708 -10.5210 -10.5210 -5.3365 -5.3365 -4.7284 -4.7284 -4.5344 -4.5344 -4.1874 -4.1874 -3.8255 -3.8255 -3.4555 -3.4555 -2.5635 -2.5635 -2.2017 -2.2017 -1.9702 -1.9702 -1.8874 -1.8874 -1.7521 -1.7521 -1.2684 -1.2684 -0.1626 -0.1626 0.4646 0.4646 0.8141 0.8141 0.8601 0.8601 1.1348 1.1348 1.4264 1.4264 1.5346 1.5346 1.7758 1.7758 2.3382 2.3382 7.4180 7.4180 8.4806 8.4806 9.2603 9.2603 9.4285 9.4285 9.6500 9.6500 k = 0.5546 0.4886 0.4821 ( 5036 PWs) bands (ev): -16.3721 -16.3721 -16.2873 -16.2873 -11.2441 -11.2441 -10.6915 -10.6915 -10.5671 -10.5671 -10.5208 -10.5208 -5.3397 -5.3397 -4.7385 -4.7385 -4.5341 -4.5341 -4.1924 -4.1924 -3.8308 -3.8308 -3.4488 -3.4488 -2.5693 -2.5693 -2.2011 -2.2011 -1.9716 -1.9716 -1.8876 -1.8876 -1.7526 -1.7526 -1.2637 -1.2637 -0.1655 -0.1655 0.4946 0.4946 0.8062 0.8062 0.8708 0.8708 1.1518 1.1518 1.4225 1.4225 1.5277 1.5277 1.7777 1.7777 2.3362 2.3362 7.3877 7.3877 8.4737 8.4737 9.2615 9.2615 9.4237 9.4237 9.6301 9.6301 k = 0.5455 0.4806 0.4963 ( 5038 PWs) bands (ev): -16.3710 -16.3710 -16.2874 -16.2874 -11.2480 -11.2480 -10.6899 -10.6899 -10.5639 -10.5639 -10.5207 -10.5207 -5.3424 -5.3424 -4.7473 -4.7473 -4.5338 -4.5338 -4.1968 -4.1968 -3.8353 -3.8353 -3.4431 -3.4431 -2.5743 -2.5743 -2.2006 -2.2006 -1.9729 -1.9729 -1.8877 -1.8877 -1.7530 -1.7530 -1.2597 -1.2597 -0.1679 -0.1679 0.5247 0.5247 0.7900 0.7900 0.8855 0.8855 1.1668 1.1668 1.4187 1.4187 1.5222 1.5222 1.7793 1.7793 2.3343 2.3343 7.3613 7.3613 8.4681 8.4681 9.2623 9.2623 9.4200 9.4200 9.6122 9.6122 k = 0.5364 0.4726 0.5106 ( 5042 PWs) bands (ev): -16.3701 -16.3701 -16.2875 -16.2875 -11.2512 -11.2512 -10.6886 -10.6886 -10.5611 -10.5611 -10.5207 -10.5207 -5.3446 -5.3446 -4.7545 -4.7545 -4.5336 -4.5336 -4.2004 -4.2004 -3.8390 -3.8390 -3.4383 -3.4383 -2.5785 -2.5785 -2.2002 -2.2002 -1.9739 -1.9739 -1.8878 -1.8878 -1.7533 -1.7533 -1.2563 -1.2563 -0.1700 -0.1700 0.5545 0.5545 0.7701 0.7701 0.8991 0.8991 1.1797 1.1797 1.4154 1.4154 1.5178 1.5178 1.7804 1.7804 2.3325 2.3325 7.3391 7.3391 8.4638 8.4638 9.2629 9.2629 9.4175 9.4175 9.5967 9.5967 k = 0.5273 0.4645 0.5248 ( 5042 PWs) bands (ev): -16.3694 -16.3694 -16.2875 -16.2875 -11.2537 -11.2537 -10.6875 -10.6875 -10.5588 -10.5588 -10.5207 -10.5207 -5.3464 -5.3464 -4.7602 -4.7602 -4.5334 -4.5334 -4.2032 -4.2032 -3.8419 -3.8419 -3.4345 -3.4345 -2.5818 -2.5818 -2.1998 -2.1998 -1.9747 -1.9747 -1.8879 -1.8879 -1.7535 -1.7535 -1.2537 -1.2537 -0.1716 -0.1716 0.5839 0.5839 0.7480 0.7480 0.9104 0.9104 1.1901 1.1901 1.4127 1.4127 1.5145 1.5145 1.7811 1.7811 2.3310 2.3310 7.3215 7.3215 8.4606 8.4606 9.2632 9.2632 9.4159 9.4159 9.5839 9.5839 k = 0.5182 0.4565 0.5391 ( 5042 PWs) bands (ev): -16.3689 -16.3689 -16.2876 -16.2876 -11.2555 -11.2555 -10.6868 -10.6868 -10.5571 -10.5571 -10.5208 -10.5208 -5.3477 -5.3477 -4.7643 -4.7643 -4.5333 -4.5333 -4.2052 -4.2052 -3.8440 -3.8440 -3.4318 -3.4318 -2.5842 -2.5842 -2.1996 -2.1996 -1.9753 -1.9753 -1.8880 -1.8880 -1.7537 -1.7537 -1.2518 -1.2518 -0.1728 -0.1728 0.6127 0.6127 0.7244 0.7244 0.9187 0.9187 1.1976 1.1976 1.4108 1.4108 1.5122 1.5122 1.7816 1.7816 2.3299 2.3299 7.3087 7.3087 8.4584 8.4584 9.2634 9.2634 9.4150 9.4150 9.5744 9.5744 k = 0.5091 0.4485 0.5533 ( 5034 PWs) bands (ev): -16.3686 -16.3686 -16.2876 -16.2876 -11.2565 -11.2565 -10.6863 -10.6863 -10.5561 -10.5561 -10.5209 -10.5209 -5.3484 -5.3484 -4.7668 -4.7668 -4.5333 -4.5333 -4.2064 -4.2064 -3.8452 -3.8452 -3.4301 -3.4301 -2.5856 -2.5856 -2.1994 -2.1994 -1.9757 -1.9757 -1.8880 -1.8880 -1.7538 -1.7538 -1.2507 -1.2507 -0.1735 -0.1735 0.6400 0.6400 0.7001 0.7001 0.9237 0.9237 1.2023 1.2023 1.4096 1.4096 1.5108 1.5108 1.7819 1.7819 2.3292 2.3292 7.3010 7.3010 8.4571 8.4571 9.2635 9.2635 9.4146 9.4146 9.5685 9.5685 k = 0.5000 0.4405 0.5676 ( 5040 PWs) bands (ev): -16.3685 -16.3685 -16.2876 -16.2876 -11.2569 -11.2569 -10.6862 -10.6862 -10.5557 -10.5557 -10.5209 -10.5209 -5.3487 -5.3487 -4.7676 -4.7676 -4.5333 -4.5333 -4.2068 -4.2068 -3.8457 -3.8457 -3.4296 -3.4296 -2.5861 -2.5861 -2.1994 -2.1994 -1.9758 -1.9758 -1.8880 -1.8880 -1.7538 -1.7538 -1.2503 -1.2503 -0.1738 -0.1738 0.6580 0.6580 0.6831 0.6831 0.9254 0.9254 1.2038 1.2038 1.4093 1.4093 1.5103 1.5103 1.7820 1.7820 2.3289 2.3289 7.2984 7.2984 8.4567 8.4567 9.2636 9.2636 9.4145 9.4145 9.5665 9.5665 k = 0.5000 0.4405 0.5676 ( 5040 PWs) bands (ev): -16.3685 -16.3685 -16.2876 -16.2876 -11.2569 -11.2569 -10.6862 -10.6862 -10.5557 -10.5557 -10.5209 -10.5209 -5.3487 -5.3487 -4.7676 -4.7676 -4.5333 -4.5333 -4.2068 -4.2068 -3.8457 -3.8457 -3.4296 -3.4296 -2.5861 -2.5861 -2.1994 -2.1994 -1.9758 -1.9758 -1.8880 -1.8880 -1.7538 -1.7538 -1.2503 -1.2503 -0.1738 -0.1738 0.6580 0.6580 0.6831 0.6831 0.9254 0.9254 1.2038 1.2038 1.4093 1.4093 1.5103 1.5103 1.7820 1.7820 2.3289 2.3289 7.2984 7.2984 8.4567 8.4567 9.2636 9.2636 9.4145 9.4145 9.5665 9.5665 k = 0.5125 0.4263 0.5676 ( 5036 PWs) bands (ev): -16.3686 -16.3686 -16.2875 -16.2875 -11.2566 -11.2566 -10.6869 -10.6869 -10.5556 -10.5556 -10.5207 -10.5207 -5.3479 -5.3479 -4.7672 -4.7672 -4.5340 -4.5340 -4.2066 -4.2066 -3.8460 -3.8460 -3.4297 -3.4297 -2.5858 -2.5858 -2.1992 -2.1992 -1.9757 -1.9757 -1.8880 -1.8880 -1.7538 -1.7538 -1.2510 -1.2510 -0.1769 -0.1769 0.6577 0.6577 0.6871 0.6871 0.9252 0.9252 1.2046 1.2046 1.4087 1.4087 1.5098 1.5098 1.7804 1.7804 2.3297 2.3297 7.3015 7.3015 8.4548 8.4548 9.2640 9.2640 9.4175 9.4175 9.5640 9.5640 k = 0.5250 0.4121 0.5676 ( 5036 PWs) bands (ev): -16.3689 -16.3689 -16.2872 -16.2872 -11.2556 -11.2556 -10.6889 -10.6889 -10.5552 -10.5552 -10.5202 -10.5202 -5.3455 -5.3455 -4.7661 -4.7661 -4.5362 -4.5362 -4.2060 -4.2060 -3.8470 -3.8470 -3.4298 -3.4298 -2.5848 -2.5848 -2.1989 -2.1989 -1.9756 -1.9756 -1.8879 -1.8879 -1.7537 -1.7537 -1.2531 -1.2531 -0.1860 -0.1860 0.6567 0.6567 0.6989 0.6989 0.9244 0.9244 1.2068 1.2068 1.4072 1.4072 1.5084 1.5084 1.7758 1.7758 2.3320 2.3320 7.3107 7.3107 8.4493 8.4493 9.2653 9.2653 9.4264 9.4264 9.5567 9.5567 k = 0.5376 0.3978 0.5676 ( 5036 PWs) bands (ev): -16.3695 -16.3695 -16.2867 -16.2867 -11.2540 -11.2540 -10.6923 -10.6923 -10.5546 -10.5546 -10.5194 -10.5194 -5.3414 -5.3414 -4.7641 -4.7641 -4.5399 -4.5399 -4.2050 -4.2050 -3.8486 -3.8486 -3.4302 -3.4302 -2.5832 -2.5832 -2.1984 -2.1984 -1.9754 -1.9754 -1.8878 -1.8878 -1.7536 -1.7536 -1.2567 -1.2567 -0.2003 -0.2003 0.6551 0.6551 0.7178 0.7178 0.9231 0.9231 1.2105 1.2105 1.4045 1.4045 1.5061 1.5061 1.7681 1.7681 2.3358 2.3358 7.3259 7.3259 8.4401 8.4401 9.2675 9.2675 9.4410 9.4410 9.5445 9.5445 k = 0.5501 0.3836 0.5676 ( 5034 PWs) bands (ev): -16.3703 -16.3703 -16.2859 -16.2859 -11.2517 -11.2517 -10.6969 -10.6969 -10.5538 -10.5538 -10.5183 -10.5183 -5.3359 -5.3359 -4.7614 -4.7614 -4.5450 -4.5450 -4.2035 -4.2035 -3.8509 -3.8509 -3.4306 -3.4306 -2.5811 -2.5811 -2.1976 -2.1976 -1.9751 -1.9751 -1.8876 -1.8876 -1.7534 -1.7534 -1.2618 -1.2618 -0.2188 -0.2188 0.6527 0.6527 0.7428 0.7428 0.9214 0.9214 1.2156 1.2156 1.4009 1.4009 1.5029 1.5029 1.7575 1.7575 2.3410 2.3410 7.3472 7.3472 8.4275 8.4275 9.2706 9.2706 9.4613 9.4613 9.5279 9.5279 k = 0.5626 0.3694 0.5676 ( 5036 PWs) bands (ev): -16.3713 -16.3713 -16.2850 -16.2850 -11.2489 -11.2489 -10.7026 -10.7026 -10.5527 -10.5527 -10.5171 -10.5171 -5.3287 -5.3287 -4.7579 -4.7579 -4.5514 -4.5514 -4.2018 -4.2018 -3.8538 -3.8538 -3.4312 -3.4312 -2.5783 -2.5783 -2.1967 -2.1967 -1.9748 -1.9748 -1.8873 -1.8873 -1.7532 -1.7532 -1.2685 -1.2685 -0.2404 -0.2404 0.6497 0.6497 0.7725 0.7725 0.9194 0.9194 1.2222 1.2222 1.3961 1.3961 1.4990 1.4990 1.7441 1.7441 2.3476 2.3476 7.3744 7.3744 8.4115 8.4115 9.2743 9.2743 9.4868 9.4868 9.5068 9.5068 k = 0.5751 0.3552 0.5676 ( 5036 PWs) bands (ev): -16.3725 -16.3725 -16.2839 -16.2839 -11.2454 -11.2454 -10.7093 -10.7093 -10.5514 -10.5514 -10.5159 -10.5159 -5.3201 -5.3201 -4.7536 -4.7536 -4.5591 -4.5591 -4.1996 -4.1996 -3.8574 -3.8574 -3.4319 -3.4319 -2.5751 -2.5751 -2.1955 -2.1955 -1.9744 -1.9744 -1.8871 -1.8871 -1.7529 -1.7529 -1.2768 -1.2768 -0.2638 -0.2638 0.6458 0.6458 0.8060 0.8060 0.9173 0.9173 1.2302 1.2302 1.3903 1.3903 1.4945 1.4945 1.7281 1.7281 2.3554 2.3554 7.4074 7.4074 8.3924 8.3924 9.2786 9.2786 9.4815 9.4815 9.5177 9.5177 k = 0.5877 0.3410 0.5676 ( 5032 PWs) bands (ev): -16.3738 -16.3738 -16.2826 -16.2826 -11.2412 -11.2412 -10.7168 -10.7168 -10.5498 -10.5498 -10.5148 -10.5148 -5.3101 -5.3101 -4.7486 -4.7486 -4.5681 -4.5681 -4.1972 -4.1972 -3.8615 -3.8615 -3.4327 -3.4327 -2.5713 -2.5713 -2.1942 -2.1942 -1.9740 -1.9740 -1.8867 -1.8867 -1.7526 -1.7526 -1.2868 -1.2868 -0.2879 -0.2879 0.6411 0.6411 0.8421 0.8421 0.9151 0.9151 1.2395 1.2395 1.3834 1.3834 1.4895 1.4895 1.7098 1.7098 2.3644 2.3644 7.4462 7.4462 8.3703 8.3703 9.2830 9.2830 9.4525 9.4525 9.5533 9.5533 k = 0.6002 0.3268 0.5676 ( 5034 PWs) bands (ev): -16.3754 -16.3754 -16.2811 -16.2811 -11.2365 -11.2365 -10.7251 -10.7251 -10.5481 -10.5481 -10.5138 -10.5138 -5.2987 -5.2987 -4.7428 -4.7428 -4.5782 -4.5782 -4.1945 -4.1945 -3.8662 -3.8662 -3.4336 -3.4336 -2.5672 -2.5672 -2.1926 -2.1926 -1.9736 -1.9736 -1.8864 -1.8864 -1.7524 -1.7524 -1.2986 -1.2986 -0.3118 -0.3118 0.6354 0.6354 0.8795 0.8795 0.9132 0.9132 1.2501 1.2501 1.3755 1.3755 1.4843 1.4843 1.6893 1.6893 2.3745 2.3745 7.4905 7.4905 8.3456 8.3456 9.2873 9.2873 9.4199 9.4199 9.5936 9.5936 k = 0.6127 0.3126 0.5676 ( 5036 PWs) bands (ev): -16.3771 -16.3771 -16.2795 -16.2795 -11.2312 -11.2312 -10.7340 -10.7340 -10.5461 -10.5461 -10.5131 -10.5131 -5.2861 -5.2861 -4.7363 -4.7363 -4.5893 -4.5893 -4.1916 -4.1916 -3.8715 -3.8715 -3.4346 -3.4346 -2.5628 -2.5628 -2.1909 -2.1909 -1.9732 -1.9732 -1.8859 -1.8859 -1.7521 -1.7521 -1.3123 -1.3123 -0.3347 -0.3347 0.6288 0.6288 0.9090 0.9090 0.9198 0.9198 1.2617 1.2617 1.3666 1.3666 1.4792 1.4792 1.6671 1.6671 2.3854 2.3854 7.5403 7.5403 8.3184 8.3184 9.2909 9.2909 9.3839 9.3839 9.6382 9.6382 k = 0.6252 0.2983 0.5676 ( 5034 PWs) bands (ev): -16.3790 -16.3790 -16.2777 -16.2777 -11.2254 -11.2254 -10.7435 -10.7435 -10.5440 -10.5440 -10.5127 -10.5127 -5.2723 -5.2723 -4.7291 -4.7291 -4.6012 -4.6012 -4.1885 -4.1885 -3.8773 -3.8773 -3.4356 -3.4356 -2.5580 -2.5580 -2.1890 -2.1890 -1.9729 -1.9729 -1.8855 -1.8855 -1.7518 -1.7518 -1.3277 -1.3277 -0.3557 -0.3557 0.6212 0.6212 0.9086 0.9086 0.9561 0.9561 1.2739 1.2739 1.3570 1.3570 1.4745 1.4745 1.6433 1.6433 2.3971 2.3971 7.5952 7.5952 8.2891 8.2891 9.2933 9.2933 9.3450 9.3450 9.6870 9.6870 k = 0.6378 0.2841 0.5676 ( 5028 PWs) bands (ev): -16.3810 -16.3810 -16.2758 -16.2758 -11.2189 -11.2189 -10.7534 -10.7534 -10.5417 -10.5417 -10.5126 -10.5126 -5.2575 -5.2575 -4.7212 -4.7212 -4.6139 -4.6139 -4.1853 -4.1853 -3.8836 -3.8836 -3.4368 -3.4368 -2.5531 -2.5531 -2.1870 -2.1870 -1.9727 -1.9727 -1.8850 -1.8850 -1.7515 -1.7515 -1.3448 -1.3448 -0.3746 -0.3746 0.6126 0.6126 0.9074 0.9074 0.9922 0.9922 1.2855 1.2855 1.3478 1.3478 1.4709 1.4709 1.6185 1.6185 2.4094 2.4094 7.6550 7.6550 8.2579 8.2579 9.2935 9.2935 9.3036 9.3036 9.7395 9.7395 k = 0.6503 0.2699 0.5676 ( 5032 PWs) bands (ev): -16.3832 -16.3832 -16.2738 -16.2738 -11.2120 -11.2120 -10.7636 -10.7636 -10.5392 -10.5392 -10.5129 -10.5129 -5.2418 -5.2418 -4.7126 -4.7126 -4.6272 -4.6272 -4.1820 -4.1820 -3.8904 -3.8904 -3.4379 -3.4379 -2.5480 -2.5480 -2.1848 -2.1848 -1.9726 -1.9726 -1.8845 -1.8845 -1.7513 -1.7513 -1.3634 -1.3634 -0.3907 -0.3907 0.6031 0.6031 0.9065 0.9065 1.0261 1.0261 1.2935 1.2935 1.3417 1.3417 1.4688 1.4688 1.5930 1.5930 2.4223 2.4223 7.7196 7.7196 8.2252 8.2252 9.2586 9.2586 9.2924 9.2924 9.7955 9.7955 k = 0.6628 0.2557 0.5676 ( 5030 PWs) bands (ev): -16.3854 -16.3854 -16.2717 -16.2717 -11.2045 -11.2045 -10.7741 -10.7741 -10.5366 -10.5366 -10.5137 -10.5137 -5.2253 -5.2253 -4.7033 -4.7033 -4.6408 -4.6408 -4.1786 -4.1786 -3.8977 -3.8977 -3.4392 -3.4392 -2.5430 -2.5430 -2.1825 -2.1825 -1.9727 -1.9727 -1.8841 -1.8841 -1.7511 -1.7511 -1.3833 -1.3833 -0.4039 -0.4039 0.5927 0.5927 0.9060 0.9060 1.0565 1.0565 1.2922 1.2922 1.3442 1.3442 1.4690 1.4690 1.5675 1.5675 2.4354 2.4354 7.7886 7.7886 8.1913 8.1913 9.2121 9.2121 9.2875 9.2875 9.8546 9.8546 k = 0.3372-0.3828 0.7527 ( 5030 PWs) bands (ev): -16.3854 -16.3854 -16.2717 -16.2717 -11.2045 -11.2045 -10.7741 -10.7741 -10.5366 -10.5366 -10.5137 -10.5137 -5.2253 -5.2253 -4.7033 -4.7033 -4.6408 -4.6408 -4.1786 -4.1786 -3.8977 -3.8977 -3.4392 -3.4392 -2.5430 -2.5430 -2.1825 -2.1825 -1.9727 -1.9727 -1.8841 -1.8841 -1.7511 -1.7511 -1.3833 -1.3833 -0.4039 -0.4039 0.5927 0.5927 0.9060 0.9060 1.0565 1.0565 1.2922 1.2922 1.3442 1.3442 1.4690 1.4690 1.5675 1.5675 2.4354 2.4354 7.7886 7.7886 8.1913 8.1913 9.2121 9.2121 9.2875 9.2875 9.8546 9.8546 k = 0.3247-0.3686 0.7527 ( 5024 PWs) bands (ev): -16.3877 -16.3877 -16.2695 -16.2695 -11.1966 -11.1966 -10.7848 -10.7848 -10.5338 -10.5338 -10.5149 -10.5149 -5.2084 -5.2084 -4.6935 -4.6935 -4.6545 -4.6545 -4.1753 -4.1753 -3.9053 -3.9053 -3.4404 -3.4404 -2.5381 -2.5381 -2.1802 -2.1802 -1.9730 -1.9730 -1.8836 -1.8836 -1.7510 -1.7510 -1.4041 -1.4041 -0.4140 -0.4140 0.5815 0.5815 0.9059 0.9059 1.0824 1.0824 1.2812 1.2812 1.3552 1.3552 1.4718 1.4718 1.5430 1.5430 2.4488 2.4488 7.8613 7.8613 8.1565 8.1565 9.1637 9.1637 9.2792 9.2792 9.9163 9.9163 k = 0.3122-0.3544 0.7527 ( 5026 PWs) bands (ev): -16.3901 -16.3901 -16.2672 -16.2672 -11.1883 -11.1883 -10.7956 -10.7956 -10.5310 -10.5310 -10.5166 -10.5166 -5.1911 -5.1911 -4.6832 -4.6832 -4.6680 -4.6680 -4.1721 -4.1721 -3.9133 -3.9133 -3.4417 -3.4417 -2.5334 -2.5334 -2.1777 -2.1777 -1.9737 -1.9737 -1.8832 -1.8832 -1.7512 -1.7512 -1.4256 -1.4256 -0.4211 -0.4211 0.5696 0.5696 0.9063 0.9063 1.1030 1.1030 1.2651 1.2651 1.3700 1.3700 1.4756 1.4756 1.5222 1.5222 2.4623 2.4623 7.9377 7.9377 8.1212 8.1212 9.1135 9.1135 9.2670 9.2670 9.9805 9.9805 k = 0.2997-0.3402 0.7527 ( 5032 PWs) bands (ev): -16.3926 -16.3926 -16.2649 -16.2649 -11.1795 -11.1795 -10.8065 -10.8065 -10.5280 -10.5280 -10.5187 -10.5187 -5.1738 -5.1738 -4.6818 -4.6818 -4.6717 -4.6717 -4.1689 -4.1689 -3.9216 -3.9216 -3.4430 -3.4430 -2.5290 -2.5290 -2.1753 -2.1753 -1.9747 -1.9747 -1.8829 -1.8829 -1.7514 -1.7514 -1.4472 -1.4472 -0.4251 -0.4251 0.5571 0.5571 0.9069 0.9069 1.1176 1.1176 1.2461 1.2461 1.3863 1.3863 1.4719 1.4719 1.5144 1.5144 2.4759 2.4759 8.0170 8.0170 8.0855 8.0855 9.0619 9.0619 9.2508 9.2508 10.0468 10.0468 k = 0.2872-0.3261 0.7527 ( 5032 PWs) bands (ev): -16.3951 -16.3951 -16.2625 -16.2625 -11.1704 -11.1704 -10.8173 -10.8173 -10.5250 -10.5250 -10.5214 -10.5214 -5.1568 -5.1568 -4.6943 -4.6943 -4.6604 -4.6604 -4.1659 -4.1659 -3.9302 -3.9302 -3.4443 -3.4443 -2.5250 -2.5250 -2.1728 -2.1728 -1.9762 -1.9762 -1.8827 -1.8827 -1.7519 -1.7519 -1.4686 -1.4686 -0.4261 -0.4261 0.5441 0.5441 0.9080 0.9080 1.1258 1.1258 1.2253 1.2253 1.4029 1.4029 1.4556 1.4556 1.5250 1.5250 2.4893 2.4893 8.0498 8.0498 8.0987 8.0987 9.0090 9.0090 9.2309 9.2309 10.1149 10.1149 k = 0.2748-0.3119 0.7527 ( 5028 PWs) bands (ev): -16.3977 -16.3977 -16.2600 -16.2600 -11.1609 -11.1609 -10.8280 -10.8280 -10.5245 -10.5245 -10.5219 -10.5219 -5.1402 -5.1402 -4.7058 -4.7058 -4.6485 -4.6485 -4.1630 -4.1630 -3.9391 -3.9391 -3.4456 -3.4456 -2.5216 -2.5216 -2.1704 -2.1704 -1.9782 -1.9782 -1.8826 -1.8826 -1.7526 -1.7526 -1.4893 -1.4893 -0.4243 -0.4243 0.5308 0.5308 0.9092 0.9092 1.1275 1.1275 1.2036 1.2036 1.4162 1.4162 1.4394 1.4394 1.5444 1.5444 2.5025 2.5025 8.0145 8.0145 8.1817 8.1817 8.9552 8.9552 9.2082 9.2082 10.1844 10.1844 k = 0.2623-0.2977 0.7527 ( 5026 PWs) bands (ev): -16.4003 -16.4003 -16.2576 -16.2576 -11.1510 -11.1510 -10.8387 -10.8387 -10.5281 -10.5281 -10.5187 -10.5187 -5.1247 -5.1247 -4.7160 -4.7160 -4.6361 -4.6361 -4.1604 -4.1604 -3.9482 -3.9482 -3.4469 -3.4469 -2.5187 -2.5187 -2.1681 -2.1681 -1.9809 -1.9809 -1.8826 -1.8826 -1.7535 -1.7535 -1.5088 -1.5088 -0.4200 -0.4200 0.5172 0.5172 0.9107 0.9107 1.1226 1.1226 1.1821 1.1821 1.4070 1.4070 1.4465 1.4465 1.5680 1.5680 2.5155 2.5155 7.9797 7.9797 8.2647 8.2647 8.9006 8.9006 9.1840 9.1840 10.2549 10.2549 k = 0.2498-0.2835 0.7527 ( 5028 PWs) bands (ev): -16.4028 -16.4028 -16.2551 -16.2551 -11.1409 -11.1409 -10.8492 -10.8492 -10.5321 -10.5321 -10.5156 -10.5156 -5.1106 -5.1106 -4.7243 -4.7243 -4.6234 -4.6234 -4.1579 -4.1579 -3.9575 -3.9575 -3.4482 -3.4482 -2.5167 -2.5167 -2.1659 -2.1659 -1.9841 -1.9841 -1.8828 -1.8828 -1.7547 -1.7547 -1.5267 -1.5267 -0.4133 -0.4133 0.5035 0.5035 0.9123 0.9123 1.1108 1.1108 1.1623 1.1623 1.3875 1.3875 1.4653 1.4653 1.5937 1.5937 2.5282 2.5282 7.9457 7.9457 8.3458 8.3458 8.8457 8.8457 9.1605 9.1605 10.3155 10.3155 k = 0.2373-0.2693 0.7527 ( 5036 PWs) bands (ev): -16.4054 -16.4054 -16.2527 -16.2527 -11.1306 -11.1306 -10.8594 -10.8594 -10.5365 -10.5365 -10.5124 -10.5124 -5.0983 -5.0983 -4.7304 -4.7304 -4.6105 -4.6105 -4.1557 -4.1557 -3.9670 -3.9670 -3.4495 -3.4495 -2.5154 -2.5154 -2.1639 -2.1639 -1.9880 -1.9880 -1.8830 -1.8830 -1.7561 -1.7561 -1.5429 -1.5429 -0.4045 -0.4045 0.4897 0.4897 0.9140 0.9140 1.0924 1.0924 1.1450 1.1450 1.3677 1.3677 1.4860 1.4860 1.6204 1.6204 2.5404 2.5404 7.9128 7.9128 8.4220 8.4220 8.7906 8.7906 9.1413 9.1413 10.3040 10.3040 k = 0.2248-0.2552 0.7527 ( 5030 PWs) bands (ev): -16.4080 -16.4080 -16.2502 -16.2502 -11.1201 -11.1201 -10.8694 -10.8694 -10.5413 -10.5413 -10.5092 -10.5092 -5.0883 -5.0883 -4.7338 -4.7338 -4.5973 -4.5973 -4.1538 -4.1538 -3.9766 -3.9766 -3.4507 -3.4507 -2.5151 -2.5151 -2.1621 -2.1621 -1.9925 -1.9925 -1.8834 -1.8834 -1.7576 -1.7576 -1.5570 -1.5570 -0.3937 -0.3937 0.4760 0.4760 0.9156 0.9156 1.0694 1.0694 1.1296 1.1296 1.3484 1.3484 1.5075 1.5075 1.6474 1.6474 2.5522 2.5522 7.8813 7.8813 8.4891 8.4891 8.7357 8.7357 9.1310 9.1310 10.2862 10.2862 k = 0.2123-0.2410 0.7527 ( 5030 PWs) bands (ev): -16.4104 -16.4104 -16.2478 -16.2478 -11.1095 -11.1095 -10.8791 -10.8791 -10.5465 -10.5465 -10.5061 -10.5061 -5.0808 -5.0808 -4.7342 -4.7342 -4.5839 -4.5839 -4.1522 -4.1522 -3.9863 -3.9863 -3.4518 -3.4518 -2.5157 -2.5157 -2.1607 -2.1607 -1.9975 -1.9975 -1.8838 -1.8838 -1.7591 -1.7591 -1.5689 -1.5689 -0.3813 -0.3813 0.4626 0.4626 0.9172 0.9172 1.0438 1.0438 1.1148 1.1148 1.3299 1.3299 1.5295 1.5295 1.6741 1.6741 2.5635 2.5635 7.8513 7.8513 8.5417 8.5417 8.6812 8.6812 9.1356 9.1356 10.2647 10.2647 k = 0.1998-0.2268 0.7527 ( 5028 PWs) bands (ev): -16.4129 -16.4129 -16.2455 -16.2455 -11.0988 -11.0988 -10.8884 -10.8884 -10.5521 -10.5521 -10.5031 -10.5031 -5.0761 -5.0761 -4.7316 -4.7316 -4.5705 -4.5705 -4.1508 -4.1508 -3.9960 -3.9960 -3.4529 -3.4529 -2.5173 -2.5173 -2.1596 -2.1596 -2.0029 -2.0029 -1.8842 -1.8842 -1.7605 -1.7605 -1.5788 -1.5788 -0.3676 -0.3676 0.4494 0.4494 0.9187 0.9187 1.0172 1.0172 1.1001 1.1001 1.3122 1.3122 1.5516 1.5516 1.6999 1.6999 2.5743 2.5743 7.8231 7.8231 8.5746 8.5746 8.6274 8.6274 9.1606 9.1606 10.2399 10.2399 k = 0.1873-0.2126 0.7527 ( 5026 PWs) bands (ev): -16.4153 -16.4153 -16.2432 -16.2432 -11.0881 -11.0881 -10.8973 -10.8973 -10.5579 -10.5579 -10.5001 -10.5001 -5.0740 -5.0740 -4.7260 -4.7260 -4.5572 -4.5572 -4.1497 -4.1497 -4.0058 -4.0058 -3.4540 -3.4540 -2.5199 -2.5199 -2.1590 -2.1590 -2.0084 -2.0084 -1.8846 -1.8846 -1.7619 -1.7619 -1.5868 -1.5868 -0.3527 -0.3527 0.4366 0.4366 0.9199 0.9199 0.9904 0.9904 1.0852 1.0852 1.2953 1.2953 1.5737 1.5737 1.7247 1.7247 2.5845 2.5845 7.7967 7.7967 8.5744 8.5744 8.5867 8.5867 9.2078 9.2078 10.2121 10.2121 k = 0.1748-0.1985 0.7527 ( 5024 PWs) bands (ev): -16.4175 -16.4175 -16.2410 -16.2410 -11.0774 -11.0774 -10.9058 -10.9058 -10.5639 -10.5639 -10.4972 -10.4972 -5.0743 -5.0743 -4.7176 -4.7176 -4.5439 -4.5439 -4.1488 -4.1488 -4.0155 -4.0155 -3.4550 -3.4550 -2.5235 -2.5235 -2.1588 -2.1588 -2.0138 -2.0138 -1.8850 -1.8850 -1.7630 -1.7630 -1.5930 -1.5930 -0.3369 -0.3369 0.4242 0.4242 0.9205 0.9205 0.9645 0.9645 1.0703 1.0703 1.2792 1.2792 1.5955 1.5955 1.7481 1.7481 2.5941 2.5941 7.7725 7.7725 8.5229 8.5229 8.5810 8.5810 9.2741 9.2741 10.1818 10.1818 k = 0.1624-0.1843 0.7527 ( 5020 PWs) bands (ev): -16.4197 -16.4197 -16.2389 -16.2389 -11.0669 -11.0669 -10.9138 -10.9138 -10.5701 -10.5701 -10.4944 -10.4944 -5.0768 -5.0768 -4.7071 -4.7071 -4.5309 -4.5309 -4.1483 -4.1483 -4.0251 -4.0251 -3.4560 -3.4560 -2.5280 -2.5280 -2.1591 -2.1591 -2.0190 -2.0190 -1.8853 -1.8853 -1.7638 -1.7638 -1.5978 -1.5978 -0.3205 -0.3205 0.4124 0.4124 0.9191 0.9191 0.9410 0.9410 1.0555 1.0555 1.2640 1.2640 1.6168 1.6168 1.7701 1.7701 2.6031 2.6031 7.7504 7.7504 8.4729 8.4729 8.5630 8.5630 9.3544 9.3544 10.1496 10.1496 k = 0.1499-0.1701 0.7527 ( 5014 PWs) bands (ev): -16.4218 -16.4218 -16.2368 -16.2368 -11.0566 -11.0566 -10.9213 -10.9213 -10.5764 -10.5764 -10.4917 -10.4917 -5.0808 -5.0808 -4.6948 -4.6948 -4.5182 -4.5182 -4.1479 -4.1479 -4.0346 -4.0346 -3.4569 -3.4569 -2.5333 -2.5333 -2.1599 -2.1599 -2.0236 -2.0236 -1.8855 -1.8855 -1.7643 -1.7643 -1.6013 -1.6013 -0.3039 -0.3039 0.4011 0.4011 0.9073 0.9073 0.9289 0.9289 1.0409 1.0409 1.2496 1.2496 1.6374 1.6374 1.7904 1.7904 2.6115 2.6115 7.7305 7.7305 8.4247 8.4247 8.5376 8.5376 9.4439 9.4439 10.1162 10.1162 k = 0.1374-0.1559 0.7527 ( 5018 PWs) bands (ev): -16.4238 -16.4238 -16.2349 -16.2349 -11.0466 -11.0466 -10.9282 -10.9282 -10.5827 -10.5827 -10.4892 -10.4892 -5.0860 -5.0860 -4.6813 -4.6813 -4.5059 -4.5059 -4.1478 -4.1478 -4.0439 -4.0439 -3.4577 -3.4577 -2.5394 -2.5394 -2.1610 -2.1610 -2.0277 -2.0277 -1.8857 -1.8857 -1.7646 -1.7646 -1.6038 -1.6038 -0.2871 -0.2871 0.3905 0.3905 0.8861 0.8861 0.9271 0.9271 1.0267 1.0267 1.2362 1.2362 1.6572 1.6572 1.8090 1.8090 2.6192 2.6192 7.7130 7.7130 8.3786 8.3786 8.5084 8.5084 9.5388 9.5388 10.0821 10.0821 k = 0.1249-0.1418 0.7527 ( 5020 PWs) bands (ev): -16.4256 -16.4256 -16.2331 -16.2331 -11.0371 -11.0371 -10.9345 -10.9345 -10.5891 -10.5891 -10.4869 -10.4869 -5.0919 -5.0919 -4.6671 -4.6671 -4.4942 -4.4942 -4.1479 -4.1479 -4.0529 -4.0529 -3.4585 -3.4585 -2.5459 -2.5459 -2.1625 -2.1625 -2.0311 -2.0311 -1.8858 -1.8858 -1.7647 -1.7647 -1.6055 -1.6055 -0.2707 -0.2707 0.3806 0.3806 0.8647 0.8647 0.9268 0.9268 1.0130 1.0130 1.2238 1.2238 1.6760 1.6760 1.8259 1.8259 2.6263 2.6263 7.6978 7.6978 8.3350 8.3350 8.4779 8.4779 9.6367 9.6367 10.0481 10.0481 k = 0.1124-0.1276 0.7527 ( 5028 PWs) bands (ev): -16.4273 -16.4273 -16.2315 -16.2315 -11.0280 -11.0280 -10.9402 -10.9402 -10.5953 -10.5953 -10.4847 -10.4847 -5.0981 -5.0981 -4.6528 -4.6528 -4.4831 -4.4831 -4.1481 -4.1481 -4.0616 -4.0616 -3.4592 -3.4592 -2.5528 -2.5528 -2.1641 -2.1641 -2.0338 -2.0338 -1.8858 -1.8858 -1.7646 -1.7646 -1.6066 -1.6066 -0.2547 -0.2547 0.3715 0.3715 0.8446 0.8446 0.9268 0.9268 1.0001 1.0001 1.2124 1.2124 1.6936 1.6936 1.8411 1.8411 2.6327 2.6327 7.6848 7.6848 8.2940 8.2940 8.4477 8.4477 9.7357 9.7357 10.0149 10.0149 k = 0.0999-0.1134 0.7527 ( 5040 PWs) bands (ev): -16.4288 -16.4288 -16.2300 -16.2300 -11.0197 -11.0197 -10.9452 -10.9452 -10.6012 -10.6012 -10.4827 -10.4827 -5.1045 -5.1045 -4.6387 -4.6387 -4.4728 -4.4728 -4.1485 -4.1485 -4.0698 -4.0698 -3.4599 -3.4599 -2.5597 -2.5597 -2.1659 -2.1659 -2.0359 -2.0359 -1.8858 -1.8858 -1.7644 -1.7644 -1.6073 -1.6073 -0.2394 -0.2394 0.3631 0.3631 0.8262 0.8262 0.9266 0.9266 0.9880 0.9880 1.2021 1.2021 1.7098 1.7098 1.8545 1.8545 2.6384 2.6384 7.6739 7.6739 8.2561 8.2561 8.4188 8.4188 9.8345 9.8345 9.9832 9.9832 k = 0.0874-0.0992 0.7527 ( 5048 PWs) bands (ev): -16.4302 -16.4302 -16.2286 -16.2286 -11.0122 -11.0122 -10.9494 -10.9494 -10.6069 -10.6069 -10.4809 -10.4809 -5.1105 -5.1105 -4.6252 -4.6252 -4.4634 -4.4634 -4.1489 -4.1489 -4.0775 -4.0775 -3.4605 -3.4605 -2.5666 -2.5666 -2.1676 -2.1676 -2.0375 -2.0375 -1.8858 -1.8858 -1.7641 -1.7641 -1.6076 -1.6076 -0.2253 -0.2253 0.3557 0.3557 0.8096 0.8096 0.9264 0.9264 0.9769 0.9769 1.1929 1.1929 1.7245 1.7245 1.8662 1.8662 2.6435 2.6435 7.6652 7.6652 8.2215 8.2215 8.3922 8.3922 9.9318 9.9318 9.9536 9.9536 k = 0.0749-0.0851 0.7527 ( 5042 PWs) bands (ev): -16.4314 -16.4314 -16.2274 -16.2274 -11.0056 -11.0056 -10.9527 -10.9527 -10.6121 -10.6121 -10.4794 -10.4794 -5.1162 -5.1162 -4.6127 -4.6127 -4.4550 -4.4550 -4.1494 -4.1494 -4.0845 -4.0845 -3.4609 -3.4609 -2.5730 -2.5730 -2.1692 -2.1692 -2.0386 -2.0386 -1.8857 -1.8857 -1.7636 -1.7636 -1.6077 -1.6077 -0.2124 -0.2124 0.3491 0.3491 0.7950 0.7950 0.9260 0.9260 0.9670 0.9670 1.1850 1.1850 1.7376 1.7376 1.8762 1.8762 2.6479 2.6479 7.6583 7.6583 8.1905 8.1905 8.3682 8.3682 9.9264 9.9264 10.0272 10.0272 k = 0.0624-0.0709 0.7527 ( 5046 PWs) bands (ev): -16.4324 -16.4324 -16.2264 -16.2264 -11.0002 -11.0002 -10.9552 -10.9552 -10.6167 -10.6167 -10.4780 -10.4780 -5.1212 -5.1212 -4.6016 -4.6016 -4.4476 -4.4476 -4.1500 -4.1500 -4.0907 -4.0907 -3.4613 -3.4613 -2.5788 -2.5788 -2.1706 -2.1706 -2.0394 -2.0394 -1.8856 -1.8856 -1.7632 -1.7632 -1.6076 -1.6076 -0.2010 -0.2010 0.3435 0.3435 0.7826 0.7826 0.9256 0.9256 0.9583 0.9583 1.1782 1.1782 1.7489 1.7489 1.8845 1.8845 2.6516 2.6516 7.6530 7.6530 8.1635 8.1635 8.3474 8.3474 9.9026 9.9026 10.1194 10.1194 k = 0.0500-0.0567 0.7527 ( 5034 PWs) bands (ev): -16.4333 -16.4333 -16.2256 -16.2256 -10.9960 -10.9960 -10.9567 -10.9567 -10.6207 -10.6207 -10.4769 -10.4769 -5.1254 -5.1254 -4.5920 -4.5920 -4.4414 -4.4414 -4.1504 -4.1504 -4.0961 -4.0961 -3.4617 -3.4617 -2.5838 -2.5838 -2.1718 -2.1718 -2.0399 -2.0399 -1.8855 -1.8855 -1.7628 -1.7628 -1.6074 -1.6074 -0.1913 -0.1913 0.3389 0.3389 0.7723 0.7723 0.9252 0.9252 0.9511 0.9511 1.1727 1.1727 1.7583 1.7583 1.8913 1.8913 2.6546 2.6546 7.6492 7.6492 8.1408 8.1408 8.3300 8.3300 9.8825 9.8825 10.2078 10.2078 k = 0.0375-0.0425 0.7527 ( 5038 PWs) bands (ev): -16.4340 -16.4340 -16.2249 -16.2249 -10.9931 -10.9931 -10.9575 -10.9575 -10.6239 -10.6239 -10.4760 -10.4760 -5.1288 -5.1288 -4.5843 -4.5843 -4.4365 -4.4365 -4.1509 -4.1509 -4.1004 -4.1004 -3.4619 -3.4619 -2.5879 -2.5879 -2.1728 -2.1728 -2.0403 -2.0403 -1.8854 -1.8854 -1.7625 -1.7625 -1.6072 -1.6072 -0.1836 -0.1836 0.3352 0.3352 0.7642 0.7642 0.9248 0.9248 0.9453 0.9453 1.1684 1.1684 1.7658 1.7658 1.8965 1.8965 2.6570 2.6570 7.6466 7.6466 8.1228 8.1228 8.3163 8.3163 9.8664 9.8664 10.2916 10.2916 k = 0.0250-0.0284 0.7527 ( 5044 PWs) bands (ev): -16.4344 -16.4344 -16.2244 -16.2244 -10.9913 -10.9913 -10.9578 -10.9578 -10.6263 -10.6263 -10.4754 -10.4754 -5.1313 -5.1313 -4.5786 -4.5786 -4.4330 -4.4330 -4.1512 -4.1512 -4.1035 -4.1035 -3.4621 -3.4621 -2.5910 -2.5910 -2.1735 -2.1735 -2.0405 -2.0405 -1.8854 -1.8854 -1.7623 -1.7623 -1.6071 -1.6071 -0.1780 -0.1780 0.3326 0.3326 0.7584 0.7584 0.9245 0.9245 0.9411 0.9411 1.1653 1.1653 1.7711 1.7711 1.9002 1.9002 2.6587 2.6587 7.6450 7.6450 8.1096 8.1096 8.3064 8.3064 9.8547 9.8547 10.3697 10.3697 k = 0.0125-0.0142 0.7527 ( 5040 PWs) bands (ev): -16.4347 -16.4347 -16.2242 -16.2242 -10.9903 -10.9903 -10.9578 -10.9578 -10.6278 -10.6278 -10.4750 -10.4750 -5.1328 -5.1328 -4.5751 -4.5751 -4.4308 -4.4308 -4.1514 -4.1514 -4.1055 -4.1055 -3.4622 -3.4622 -2.5928 -2.5928 -2.1740 -2.1740 -2.0406 -2.0406 -1.8853 -1.8853 -1.7621 -1.7621 -1.6069 -1.6069 -0.1746 -0.1746 0.3310 0.3310 0.7549 0.7549 0.9243 0.9243 0.9386 0.9386 1.1635 1.1635 1.7744 1.7744 1.9024 1.9024 2.6597 2.6597 7.6440 7.6440 8.1016 8.1016 8.3004 8.3004 9.8475 9.8475 10.4394 10.4394 k = 0.0000 0.0000 0.7527 ( 5038 PWs) bands (ev): -16.4348 -16.4348 -16.2241 -16.2241 -10.9900 -10.9900 -10.9577 -10.9577 -10.6283 -10.6283 -10.4749 -10.4749 -5.1334 -5.1334 -4.5739 -4.5739 -4.4301 -4.4301 -4.1515 -4.1515 -4.1061 -4.1061 -3.4623 -3.4623 -2.5934 -2.5934 -2.1741 -2.1741 -2.0406 -2.0406 -1.8853 -1.8853 -1.7620 -1.7620 -1.6069 -1.6069 -0.1734 -0.1734 0.3305 0.3305 0.7538 0.7538 0.9243 0.9243 0.9377 0.9377 1.1628 1.1628 1.7754 1.7754 1.9031 1.9031 2.6601 2.6601 7.6438 7.6438 8.0990 8.0990 8.2984 8.2984 9.8451 9.8451 10.4797 10.4797 k = 0.0000 0.0000 0.7527 ( 5038 PWs) bands (ev): -16.4348 -16.4348 -16.2241 -16.2241 -10.9900 -10.9900 -10.9577 -10.9577 -10.6283 -10.6283 -10.4749 -10.4749 -5.1334 -5.1334 -4.5739 -4.5739 -4.4301 -4.4301 -4.1515 -4.1515 -4.1061 -4.1061 -3.4623 -3.4623 -2.5934 -2.5934 -2.1741 -2.1741 -2.0406 -2.0406 -1.8853 -1.8853 -1.7620 -1.7620 -1.6069 -1.6069 -0.1734 -0.1734 0.3305 0.3305 0.7538 0.7538 0.9243 0.9243 0.9377 0.9377 1.1628 1.1628 1.7754 1.7754 1.9031 1.9031 2.6601 2.6601 7.6438 7.6438 8.0990 8.0990 8.2984 8.2984 9.8451 9.8451 10.4797 10.4797 k = 0.0141 0.0125 0.7527 ( 5040 PWs) bands (ev): -16.4347 -16.4347 -16.2242 -16.2242 -10.9902 -10.9902 -10.9572 -10.9572 -10.6286 -10.6286 -10.4751 -10.4751 -5.1338 -5.1338 -4.5738 -4.5738 -4.4308 -4.4308 -4.1516 -4.1516 -4.1045 -4.1045 -3.4627 -3.4627 -2.5928 -2.5928 -2.1738 -2.1738 -2.0403 -2.0403 -1.8852 -1.8852 -1.7622 -1.7622 -1.6071 -1.6071 -0.1734 -0.1734 0.3306 0.3306 0.7540 0.7540 0.9144 0.9144 0.9438 0.9438 1.1645 1.1645 1.7752 1.7752 1.9042 1.9042 2.6595 2.6595 7.6464 7.6464 8.1017 8.1017 8.2976 8.2976 9.8446 9.8446 10.4780 10.4780 k = 0.0283 0.0249 0.7527 ( 5037 PWs) bands (ev): -16.4343 -16.4343 -16.2246 -16.2246 -10.9907 -10.9907 -10.9556 -10.9556 -10.6294 -10.6294 -10.4755 -10.4755 -5.1350 -5.1350 -4.5735 -4.5735 -4.4328 -4.4328 -4.1520 -4.1520 -4.0997 -4.0997 -3.4641 -3.4641 -2.5909 -2.5909 -2.1728 -2.1728 -2.0394 -2.0394 -1.8850 -1.8850 -1.7625 -1.7625 -1.6076 -1.6076 -0.1732 -0.1732 0.3311 0.3311 0.7547 0.7547 0.8966 0.8966 0.9505 0.9505 1.1694 1.1694 1.7746 1.7746 1.9075 1.9075 2.6577 2.6577 7.6542 7.6542 8.1100 8.1100 8.2950 8.2950 9.8428 9.8428 10.4729 10.4729 k = 0.0424 0.0374 0.7527 ( 5040 PWs) bands (ev): -16.4337 -16.4337 -16.2253 -16.2253 -10.9917 -10.9917 -10.9529 -10.9529 -10.6308 -10.6308 -10.4762 -10.4762 -5.1370 -5.1370 -4.5729 -4.5729 -4.4362 -4.4362 -4.1526 -4.1526 -4.0919 -4.0919 -3.4663 -3.4663 -2.5879 -2.5879 -2.1713 -2.1713 -2.0378 -2.0378 -1.8846 -1.8846 -1.7630 -1.7630 -1.6085 -1.6085 -0.1730 -0.1730 0.3319 0.3319 0.7559 0.7559 0.8751 0.8751 0.9543 0.9543 1.1771 1.1771 1.7736 1.7736 1.9126 1.9126 2.6547 2.6547 7.6672 7.6672 8.1237 8.1237 8.2908 8.2908 9.8399 9.8399 10.4638 10.4638 k = 0.0565 0.0498 0.7527 ( 5033 PWs) bands (ev): -16.4329 -16.4329 -16.2263 -16.2263 -10.9930 -10.9930 -10.9492 -10.9492 -10.6327 -10.6327 -10.4772 -10.4772 -5.1399 -5.1399 -4.5721 -4.5721 -4.4407 -4.4407 -4.1534 -4.1534 -4.0811 -4.0811 -3.4695 -3.4695 -2.5838 -2.5838 -2.1692 -2.1692 -2.0355 -2.0355 -1.8840 -1.8840 -1.7637 -1.7637 -1.6097 -1.6097 -0.1726 -0.1726 0.3331 0.3331 0.7574 0.7574 0.8507 0.8507 0.9554 0.9554 1.1872 1.1872 1.7722 1.7722 1.9192 1.9192 2.6505 2.6505 7.6851 7.6851 8.1428 8.1428 8.2850 8.2850 9.8356 9.8356 10.4501 10.4501 k = 0.0707 0.0623 0.7527 ( 5031 PWs) bands (ev): -16.4319 -16.4319 -16.2275 -16.2275 -10.9949 -10.9949 -10.9445 -10.9445 -10.6349 -10.6349 -10.4785 -10.4785 -5.1434 -5.1434 -4.5711 -4.5711 -4.4462 -4.4462 -4.1544 -4.1544 -4.0676 -4.0676 -3.4736 -3.4736 -2.5787 -2.5787 -2.1669 -2.1669 -2.0324 -2.0324 -1.8833 -1.8833 -1.7645 -1.7645 -1.6111 -1.6111 -0.1721 -0.1721 0.3347 0.3347 0.7587 0.7587 0.8244 0.8244 0.9543 0.9543 1.1991 1.1991 1.7705 1.7705 1.9267 1.9267 2.6452 2.6452 7.7079 7.7079 8.1670 8.1670 8.2779 8.2779 9.8298 9.8298 10.4309 10.4309 k = 0.0848 0.0747 0.7527 ( 5029 PWs) bands (ev): -16.4306 -16.4306 -16.2290 -16.2290 -10.9973 -10.9973 -10.9388 -10.9388 -10.6373 -10.6373 -10.4801 -10.4801 -5.1478 -5.1478 -4.5698 -4.5698 -4.4526 -4.4526 -4.1555 -4.1555 -4.0516 -4.0516 -3.4787 -3.4787 -2.5728 -2.5728 -2.1643 -2.1643 -2.0285 -2.0285 -1.8823 -1.8823 -1.7651 -1.7651 -1.6125 -1.6125 -0.1715 -0.1715 0.3367 0.3367 0.7581 0.7581 0.7985 0.7985 0.9515 0.9515 1.2123 1.2123 1.7686 1.7686 1.9345 1.9345 2.6387 2.6387 7.7352 7.7352 8.1963 8.1963 8.2698 8.2698 9.8222 9.8222 10.4057 10.4057 k = 0.0989 0.0872 0.7527 ( 5025 PWs) bands (ev): -16.4291 -16.4291 -16.2307 -16.2307 -11.0003 -11.0003 -10.9322 -10.9322 -10.6399 -10.6399 -10.4819 -10.4819 -5.1528 -5.1528 -4.5683 -4.5683 -4.4597 -4.4597 -4.1568 -4.1568 -4.0332 -4.0332 -3.4849 -3.4849 -2.5665 -2.5665 -2.1618 -2.1618 -2.0238 -2.0238 -1.8812 -1.8812 -1.7655 -1.7655 -1.6139 -1.6139 -0.1708 -0.1708 0.3393 0.3393 0.7471 0.7471 0.7820 0.7820 0.9475 0.9475 1.2265 1.2265 1.7665 1.7665 1.9420 1.9420 2.6312 2.6312 7.7665 7.7665 8.2302 8.2302 8.2610 8.2610 9.8126 9.8126 10.3744 10.3744 k = 0.1131 0.0996 0.7527 ( 5021 PWs) bands (ev): -16.4274 -16.4274 -16.2327 -16.2327 -11.0039 -11.0039 -10.9247 -10.9247 -10.6424 -10.6424 -10.4840 -10.4840 -5.1584 -5.1584 -4.5667 -4.5667 -4.4675 -4.4675 -4.1582 -4.1582 -4.0128 -4.0128 -3.4921 -3.4921 -2.5597 -2.5597 -2.1595 -2.1595 -2.0183 -2.0183 -1.8798 -1.8798 -1.7656 -1.7656 -1.6151 -1.6151 -0.1700 -0.1700 0.3424 0.3424 0.7208 0.7208 0.7802 0.7802 0.9430 0.9430 1.2412 1.2412 1.7642 1.7642 1.9487 1.9487 2.6226 2.6226 7.8011 7.8011 8.2521 8.2521 8.2689 8.2689 9.8002 9.8002 10.3376 10.3376 k = 0.1272 0.1121 0.7527 ( 5026 PWs) bands (ev): -16.4256 -16.4256 -16.2348 -16.2348 -11.0084 -11.0084 -10.9164 -10.9164 -10.6448 -10.6448 -10.4864 -10.4864 -5.1646 -5.1646 -4.5648 -4.5648 -4.4758 -4.4758 -4.1596 -4.1596 -3.9904 -3.9904 -3.5004 -3.5004 -2.5529 -2.5529 -2.1576 -2.1576 -2.0121 -2.0121 -1.8782 -1.8782 -1.7651 -1.7651 -1.6159 -1.6159 -0.1691 -0.1691 0.3461 0.3461 0.6893 0.6893 0.7835 0.7835 0.9381 0.9381 1.2563 1.2563 1.7617 1.7617 1.9540 1.9540 2.6130 2.6130 7.8379 7.8379 8.2443 8.2443 8.3114 8.3114 9.7845 9.7845 10.2971 10.2971 k = 0.1414 0.1245 0.7527 ( 5023 PWs) bands (ev): -16.4236 -16.4236 -16.2372 -16.2372 -11.0137 -11.0137 -10.9072 -10.9072 -10.6468 -10.6468 -10.4889 -10.4889 -5.1714 -5.1714 -4.5628 -4.5628 -4.4846 -4.4846 -4.1609 -4.1609 -3.9664 -3.9664 -3.5098 -3.5098 -2.5460 -2.5460 -2.1562 -2.1562 -2.0055 -2.0055 -1.8765 -1.8765 -1.7637 -1.7637 -1.6159 -1.6159 -0.1681 -0.1681 0.3505 0.3505 0.6564 0.6564 0.7887 0.7887 0.9332 0.9332 1.2714 1.2714 1.7593 1.7593 1.9574 1.9574 2.6024 2.6024 7.8751 7.8751 8.2391 8.2391 8.3579 8.3579 9.7645 9.7645 10.2551 10.2551 k = 0.1555 0.1370 0.7527 ( 5026 PWs) bands (ev): -16.4214 -16.4214 -16.2397 -16.2397 -11.0198 -11.0198 -10.8974 -10.8974 -10.6484 -10.6484 -10.4917 -10.4917 -5.1786 -5.1786 -4.5606 -4.5606 -4.4937 -4.4937 -4.1623 -4.1623 -3.9409 -3.9409 -3.5203 -3.5203 -2.5395 -2.5395 -2.1554 -2.1554 -1.9987 -1.9987 -1.8748 -1.8748 -1.7614 -1.7614 -1.6147 -1.6147 -0.1671 -0.1671 0.3554 0.3554 0.6233 0.6233 0.7950 0.7950 0.9285 0.9285 1.2865 1.2865 1.7568 1.7568 1.9586 1.9586 2.5910 2.5910 7.9100 7.9100 8.2389 8.2389 8.4078 8.4078 9.7394 9.7394 10.2147 10.2147 k = 0.1696 0.1494 0.7527 ( 5023 PWs) bands (ev): -16.4191 -16.4191 -16.2424 -16.2424 -11.0269 -11.0269 -10.8869 -10.8869 -10.6495 -10.6495 -10.4946 -10.4946 -5.1863 -5.1863 -4.5582 -4.5582 -4.5031 -4.5031 -4.1635 -4.1635 -3.9141 -3.9141 -3.5320 -3.5320 -2.5333 -2.5333 -2.1553 -2.1553 -1.9920 -1.9920 -1.8732 -1.8732 -1.7581 -1.7581 -1.6119 -1.6119 -0.1659 -0.1659 0.3610 0.3610 0.5910 0.5910 0.8021 0.8021 0.9241 0.9241 1.3014 1.3014 1.7544 1.7544 1.9572 1.9572 2.5786 2.5786 7.9388 7.9388 8.2473 8.2473 8.4607 8.4607 9.7082 9.7082 10.1785 10.1785 k = 0.1838 0.1619 0.7527 ( 5021 PWs) bands (ev): -16.4167 -16.4167 -16.2453 -16.2453 -11.0349 -11.0349 -10.8758 -10.8758 -10.6498 -10.6498 -10.4977 -10.4977 -5.1943 -5.1943 -4.5558 -4.5558 -4.5128 -4.5128 -4.1646 -4.1646 -3.8862 -3.8862 -3.5447 -3.5447 -2.5276 -2.5276 -2.1558 -2.1558 -1.9857 -1.9857 -1.8719 -1.8719 -1.7540 -1.7540 -1.6069 -1.6069 -0.1647 -0.1647 0.3669 0.3669 0.5600 0.5600 0.8100 0.8100 0.9204 0.9204 1.3159 1.3159 1.7520 1.7520 1.9530 1.9530 2.5655 2.5655 7.9576 7.9576 8.2676 8.2676 8.5161 8.5161 9.6706 9.6706 10.1488 10.1488 k = 0.1979 0.1743 0.7527 ( 5015 PWs) bands (ev): -16.4143 -16.4143 -16.2482 -16.2482 -11.0437 -11.0437 -10.8642 -10.8642 -10.6495 -10.6495 -10.5008 -10.5008 -5.2026 -5.2026 -4.5533 -4.5533 -4.5227 -4.5227 -4.1655 -4.1655 -3.8575 -3.8575 -3.5585 -3.5585 -2.5225 -2.5225 -2.1570 -2.1570 -1.9802 -1.9802 -1.8711 -1.8711 -1.7495 -1.7495 -1.5990 -1.5990 -0.1634 -0.1634 0.3726 0.3726 0.5314 0.5314 0.8185 0.8185 0.9173 0.9173 1.3301 1.3301 1.7499 1.7499 1.9457 1.9457 2.5517 2.5517 7.9645 7.9645 8.3013 8.3013 8.5735 8.5735 9.6272 9.6272 10.1266 10.1266 k = 0.2120 0.1868 0.7527 ( 5013 PWs) bands (ev): -16.4117 -16.4117 -16.2512 -16.2512 -11.0535 -11.0535 -10.8523 -10.8523 -10.6484 -10.6484 -10.5041 -10.5041 -5.2111 -5.2111 -4.5507 -4.5507 -4.5326 -4.5326 -4.1662 -4.1662 -3.8282 -3.8282 -3.5734 -3.5734 -2.5181 -2.5181 -2.1588 -2.1588 -1.9754 -1.9754 -1.8708 -1.8708 -1.7451 -1.7451 -1.5876 -1.5876 -0.1620 -0.1620 0.3771 0.3771 0.5066 0.5066 0.8276 0.8276 0.9149 0.9149 1.3436 1.3436 1.7479 1.7479 1.9354 1.9354 2.5372 2.5372 7.9605 7.9605 8.3464 8.3464 8.6325 8.6325 9.5792 9.5792 10.1122 10.1122 k = 0.2262 0.1992 0.7527 ( 5019 PWs) bands (ev): -16.4091 -16.4091 -16.2543 -16.2543 -11.0640 -11.0640 -10.8400 -10.8400 -10.6466 -10.6466 -10.5073 -10.5073 -5.2199 -5.2199 -4.5484 -4.5484 -4.5424 -4.5424 -4.1666 -4.1666 -3.7985 -3.7985 -3.5892 -3.5892 -2.5144 -2.5144 -2.1611 -2.1611 -1.9714 -1.9714 -1.8710 -1.8710 -1.7414 -1.7414 -1.5725 -1.5725 -0.1606 -0.1606 0.3785 0.3785 0.4882 0.4882 0.8371 0.8371 0.9136 0.9136 1.3566 1.3566 1.7461 1.7461 1.9219 1.9219 2.5221 2.5221 7.9484 7.9484 8.3993 8.3993 8.6923 8.6923 9.5288 9.5288 10.1051 10.1051 k = 0.2403 0.2117 0.7527 ( 5019 PWs) bands (ev): -16.4066 -16.4066 -16.2574 -16.2574 -11.0753 -11.0753 -10.8275 -10.8275 -10.6440 -10.6440 -10.5105 -10.5105 -5.2287 -5.2287 -4.5532 -4.5532 -4.5451 -4.5451 -4.1667 -4.1667 -3.7685 -3.7685 -3.6058 -3.6058 -2.5115 -2.5115 -2.1639 -2.1639 -1.9682 -1.9682 -1.8716 -1.8716 -1.7388 -1.7388 -1.5537 -1.5537 -0.1591 -0.1591 0.3742 0.3742 0.4789 0.4789 0.8468 0.8468 0.9134 0.9134 1.3688 1.3688 1.7446 1.7446 1.9053 1.9053 2.5066 2.5066 7.9304 7.9304 8.4563 8.4563 8.7525 8.7525 9.4782 9.4782 10.1043 10.1043 k = 0.2544 0.2242 0.7527 ( 5021 PWs) bands (ev): -16.4040 -16.4040 -16.2606 -16.2606 -11.0871 -11.0871 -10.8148 -10.8148 -10.6408 -10.6408 -10.5137 -10.5137 -5.2375 -5.2375 -4.5632 -4.5632 -4.5428 -4.5428 -4.1665 -4.1665 -3.7387 -3.7387 -3.6231 -3.6231 -2.5094 -2.5094 -2.1672 -2.1672 -1.9656 -1.9656 -1.8726 -1.8726 -1.7372 -1.7372 -1.5316 -1.5316 -0.1576 -0.1576 0.3638 0.3638 0.4796 0.4796 0.8565 0.8565 0.9146 0.9146 1.3803 1.3803 1.7434 1.7434 1.8857 1.8857 2.4906 2.4906 7.9085 7.9085 8.5136 8.5136 8.8124 8.8124 9.4301 9.4301 10.1085 10.1085 k = 0.2686 0.2366 0.7527 ( 5020 PWs) bands (ev): -16.4014 -16.4014 -16.2638 -16.2638 -11.0994 -11.0994 -10.8021 -10.8021 -10.6369 -10.6369 -10.5167 -10.5167 -5.2464 -5.2464 -4.5732 -4.5732 -4.5405 -4.5405 -4.1658 -4.1658 -3.7092 -3.7092 -3.6409 -3.6409 -2.5080 -2.5080 -2.1708 -2.1708 -1.9636 -1.9636 -1.8738 -1.8738 -1.7366 -1.7366 -1.5070 -1.5070 -0.1560 -0.1560 0.3495 0.3495 0.4882 0.4882 0.8656 0.8656 0.9177 0.9177 1.3909 1.3909 1.7423 1.7423 1.8635 1.8635 2.4742 2.4742 7.8837 7.8837 8.5676 8.5676 8.8714 8.8714 9.3874 9.3874 10.1152 10.1152 k = 0.2827 0.2491 0.7527 ( 5028 PWs) bands (ev): -16.3989 -16.3989 -16.2669 -16.2669 -11.1120 -11.1120 -10.7894 -10.7894 -10.6326 -10.6326 -10.5195 -10.5195 -5.2551 -5.2551 -4.5831 -4.5831 -4.5385 -4.5385 -4.1648 -4.1648 -3.6805 -3.6805 -3.6587 -3.6587 -2.5073 -2.5073 -2.1747 -2.1747 -1.9621 -1.9621 -1.8753 -1.8753 -1.7369 -1.7369 -1.4806 -1.4806 -0.1543 -0.1543 0.3343 0.3343 0.5022 0.5022 0.8736 0.8736 0.9232 0.9232 1.4005 1.4005 1.7414 1.7414 1.8388 1.8388 2.4576 2.4576 7.8569 7.8569 8.6142 8.6142 8.9288 8.9288 9.3537 9.3537 10.1194 10.1194 k = 0.2968 0.2615 0.7527 ( 5033 PWs) bands (ev): -16.3965 -16.3965 -16.2700 -16.2700 -11.1248 -11.1248 -10.7769 -10.7769 -10.6278 -10.6278 -10.5220 -10.5220 -5.2638 -5.2638 -4.5928 -4.5928 -4.5367 -4.5367 -4.1633 -4.1633 -3.6782 -3.6782 -3.6511 -3.6511 -2.5072 -2.5072 -2.1789 -2.1789 -1.9610 -1.9610 -1.8768 -1.8768 -1.7377 -1.7377 -1.4533 -1.4533 -0.1526 -0.1526 0.3201 0.3201 0.5199 0.5199 0.8802 0.8802 0.9313 0.9313 1.4091 1.4091 1.7402 1.7402 1.8124 1.8124 2.4408 2.4408 7.8287 7.8287 8.6490 8.6490 8.9842 8.9842 9.3324 9.3324 10.1108 10.1108 k = 0.3110 0.2740 0.7527 ( 5033 PWs) bands (ev): -16.3942 -16.3942 -16.2730 -16.2730 -11.1377 -11.1377 -10.7646 -10.7646 -10.6227 -10.6227 -10.5241 -10.5241 -5.2723 -5.2723 -4.6023 -4.6023 -4.5354 -4.5354 -4.1613 -4.1613 -3.6962 -3.6962 -3.6241 -3.6241 -2.5077 -2.5077 -2.1833 -2.1833 -1.9602 -1.9602 -1.8784 -1.8784 -1.7389 -1.7389 -1.4259 -1.4259 -0.1508 -0.1508 0.3079 0.3079 0.5406 0.5406 0.8856 0.8856 0.9418 0.9418 1.4166 1.4166 1.7376 1.7376 1.7857 1.7857 2.4240 2.4240 7.7995 7.7995 8.6683 8.6683 9.0368 9.0368 9.3267 9.3267 10.0793 10.0793 k = 0.3251 0.2864 0.7527 ( 5028 PWs) bands (ev): -16.3921 -16.3921 -16.2759 -16.2759 -11.1505 -11.1505 -10.7527 -10.7527 -10.6174 -10.6174 -10.5258 -10.5258 -5.2807 -5.2807 -4.6115 -4.6115 -4.5346 -4.5346 -4.1588 -4.1588 -3.7142 -3.7142 -3.5982 -3.5982 -2.5087 -2.5087 -2.1878 -2.1878 -1.9595 -1.9595 -1.8800 -1.8800 -1.7404 -1.7404 -1.3990 -1.3990 -0.1489 -0.1489 0.2982 0.2982 0.5637 0.5637 0.8901 0.8901 0.9543 0.9543 1.4230 1.4230 1.7288 1.7288 1.7640 1.7640 2.4072 2.4072 7.7697 7.7697 8.6706 8.6706 9.0862 9.0862 9.3373 9.3373 10.0285 10.0285 k = 0.3393 0.2989 0.7527 ( 5022 PWs) bands (ev): -16.3901 -16.3901 -16.2787 -16.2787 -11.1631 -11.1631 -10.7411 -10.7411 -10.6122 -10.6122 -10.5270 -10.5270 -5.2887 -5.2887 -4.6203 -4.6203 -4.5344 -4.5344 -4.1558 -4.1558 -3.7316 -3.7316 -3.5736 -3.5736 -2.5101 -2.5101 -2.1925 -2.1925 -1.9590 -1.9590 -1.8816 -1.8816 -1.7420 -1.7420 -1.3733 -1.3733 -0.1469 -0.1469 0.2914 0.2914 0.5890 0.5890 0.8942 0.8942 0.9683 0.9683 1.4281 1.4281 1.7066 1.7066 1.7548 1.7548 2.3906 2.3906 7.7396 7.7396 8.6573 8.6573 9.1319 9.1319 9.3621 9.3621 9.9692 9.9692 k = 0.3534 0.3113 0.7527 ( 5013 PWs) bands (ev): -16.3883 -16.3883 -16.2814 -16.2814 -11.1754 -11.1754 -10.7301 -10.7301 -10.6071 -10.6071 -10.5274 -10.5274 -5.2965 -5.2965 -4.6287 -4.6287 -4.5349 -4.5349 -4.1523 -4.1523 -3.7483 -3.7483 -3.5508 -3.5508 -2.5119 -2.5119 -2.1973 -2.1973 -1.9587 -1.9587 -1.8831 -1.8831 -1.7437 -1.7437 -1.3494 -1.3494 -0.1447 -0.1447 0.2877 0.2877 0.6161 0.6161 0.8982 0.8982 0.9832 0.9832 1.4320 1.4320 1.6769 1.6769 1.7528 1.7528 2.3741 2.3741 7.7095 7.7095 8.6317 8.6317 9.1736 9.1736 9.3970 9.3970 9.9076 9.9076 k = 0.3675 0.3238 0.7527 ( 5020 PWs) bands (ev): -16.3866 -16.3866 -16.2839 -16.2839 -11.1873 -11.1873 -10.7197 -10.7197 -10.6023 -10.6023 -10.5271 -10.5271 -5.3040 -5.3040 -4.6367 -4.6367 -4.5364 -4.5364 -4.1483 -4.1483 -3.7639 -3.7639 -3.5299 -3.5299 -2.5139 -2.5139 -2.2023 -2.2023 -1.9584 -1.9584 -1.8846 -1.8846 -1.7453 -1.7453 -1.3279 -1.3279 -0.1425 -0.1425 0.2870 0.2870 0.6450 0.6450 0.9024 0.9024 0.9990 0.9990 1.4344 1.4344 1.6452 1.6452 1.7529 1.7529 2.3580 2.3580 7.6796 7.6796 8.5974 8.5974 9.2109 9.2109 9.4376 9.4376 9.8471 9.8471 k = 0.3817 0.3362 0.7527 ( 5014 PWs) bands (ev): -16.3852 -16.3852 -16.2863 -16.2863 -11.1986 -11.1986 -10.7099 -10.7099 -10.5980 -10.5980 -10.5258 -10.5258 -5.3111 -5.3111 -4.6440 -4.6440 -4.5387 -4.5387 -4.1437 -4.1437 -3.7781 -3.7781 -3.5112 -3.5112 -2.5161 -2.5161 -2.2072 -2.2072 -1.9582 -1.9582 -1.8860 -1.8860 -1.7469 -1.7469 -1.3090 -1.3090 -0.1401 -0.1401 0.2893 0.2893 0.6752 0.6752 0.9068 0.9068 1.0153 1.0153 1.4354 1.4354 1.6135 1.6135 1.7538 1.7538 2.3424 2.3424 7.6501 7.6501 8.5578 8.5578 9.2436 9.2436 9.4796 9.4796 9.7900 9.7900 k = 0.5000 0.4405-0.1852 ( 5042 PWs) bands (ev): -16.4766 -16.4766 -16.3602 -16.3602 -11.3235 -11.3235 -10.7188 -10.7188 -10.5261 -10.5261 -10.2287 -10.2287 -5.3892 -5.3892 -4.6835 -4.6835 -3.8464 -3.8464 -3.7954 -3.7954 -3.7778 -3.7778 -3.6591 -3.6591 -2.4536 -2.4536 -2.3155 -2.3155 -1.9988 -1.9988 -1.8521 -1.8521 -1.7335 -1.7335 -1.0449 -1.0449 -0.5893 -0.5893 -0.0562 -0.0562 0.9434 0.9434 1.0099 1.0099 1.0484 1.0484 1.3287 1.3287 1.5076 1.5076 1.9029 1.9029 2.0364 2.0364 7.6404 7.6404 7.7308 7.7308 8.8239 8.8239 9.7931 9.7931 9.8082 9.8082 k = 0.5102 0.4289-0.1852 ( 5042 PWs) bands (ev): -16.4767 -16.4767 -16.3601 -16.3601 -11.3232 -11.3232 -10.7188 -10.7188 -10.5262 -10.5262 -10.2289 -10.2289 -5.3892 -5.3892 -4.6837 -4.6837 -3.8478 -3.8478 -3.7958 -3.7958 -3.7777 -3.7777 -3.6576 -3.6576 -2.4536 -2.4536 -2.3156 -2.3156 -1.9987 -1.9987 -1.8522 -1.8522 -1.7335 -1.7335 -1.0448 -1.0448 -0.5892 -0.5892 -0.0560 -0.0560 0.9440 0.9440 1.0104 1.0104 1.0482 1.0482 1.3290 1.3290 1.5082 1.5082 1.9025 1.9025 2.0351 2.0351 7.6419 7.6419 7.7311 7.7311 8.8238 8.8238 9.7889 9.7889 9.8130 9.8130 k = 0.5205 0.4172-0.1852 ( 5046 PWs) bands (ev): -16.4769 -16.4769 -16.3600 -16.3600 -11.3223 -11.3223 -10.7186 -10.7186 -10.5265 -10.5265 -10.2293 -10.2293 -5.3893 -5.3893 -4.6844 -4.6844 -3.8519 -3.8519 -3.7969 -3.7969 -3.7773 -3.7773 -3.6533 -3.6533 -2.4539 -2.4539 -2.3158 -2.3158 -1.9986 -1.9986 -1.8523 -1.8523 -1.7335 -1.7335 -1.0446 -1.0446 -0.5888 -0.5888 -0.0556 -0.0556 0.9456 0.9456 1.0118 1.0118 1.0474 1.0474 1.3299 1.3299 1.5099 1.5099 1.9015 1.9015 2.0312 2.0312 7.6465 7.6465 7.7321 7.7321 8.8235 8.8235 9.7815 9.7815 9.8222 9.8222 k = 0.5307 0.4056-0.1852 ( 5038 PWs) bands (ev): -16.4773 -16.4773 -16.3597 -16.3597 -11.3208 -11.3208 -10.7184 -10.7184 -10.5270 -10.5270 -10.2300 -10.2300 -5.3894 -5.3894 -4.6856 -4.6856 -3.8583 -3.8583 -3.7986 -3.7986 -3.7767 -3.7767 -3.6464 -3.6464 -2.4542 -2.4542 -2.3161 -2.3161 -1.9983 -1.9983 -1.8524 -1.8524 -1.7335 -1.7335 -1.0441 -1.0441 -0.5881 -0.5881 -0.0548 -0.0548 0.9483 0.9483 1.0141 1.0141 1.0462 1.0462 1.3314 1.3314 1.5126 1.5126 1.8998 1.8998 2.0247 2.0247 7.6541 7.6541 7.7338 7.7338 8.8231 8.8231 9.7736 9.7736 9.8331 9.8331 k = 0.5410 0.3940-0.1852 ( 5036 PWs) bands (ev): -16.4779 -16.4779 -16.3593 -16.3593 -11.3188 -11.3188 -10.7181 -10.7181 -10.5278 -10.5278 -10.2309 -10.2309 -5.3897 -5.3897 -4.6872 -4.6872 -3.8666 -3.8666 -3.8009 -3.8009 -3.7759 -3.7759 -3.6376 -3.6376 -2.4546 -2.4546 -2.3164 -2.3164 -1.9979 -1.9979 -1.8527 -1.8527 -1.7336 -1.7336 -1.0436 -1.0436 -0.5872 -0.5872 -0.0538 -0.0538 0.9520 0.9520 1.0172 1.0172 1.0449 1.0449 1.3335 1.3335 1.5164 1.5164 1.8973 1.8973 2.0157 2.0157 7.6647 7.6647 7.7358 7.7358 8.8225 8.8225 9.7656 9.7656 9.8453 9.8453 k = 0.4590-0.5210 0.0000 ( 5036 PWs) bands (ev): -16.4779 -16.4779 -16.3593 -16.3593 -11.3188 -11.3188 -10.7181 -10.7181 -10.5278 -10.5278 -10.2309 -10.2309 -5.3897 -5.3897 -4.6872 -4.6872 -3.8666 -3.8666 -3.8009 -3.8009 -3.7759 -3.7759 -3.6376 -3.6376 -2.4546 -2.4546 -2.3164 -2.3164 -1.9979 -1.9979 -1.8527 -1.8527 -1.7336 -1.7336 -1.0436 -1.0436 -0.5872 -0.5872 -0.0538 -0.0538 0.9520 0.9520 1.0172 1.0172 1.0449 1.0449 1.3335 1.3335 1.5164 1.5164 1.8973 1.8973 2.0157 2.0157 7.6647 7.6647 7.7358 7.7358 8.8225 8.8225 9.7656 9.7656 9.8453 9.8453 k = 0.4466-0.5069 0.0000 ( 5036 PWs) bands (ev): -16.4788 -16.4788 -16.3586 -16.3586 -11.3155 -11.3155 -10.7177 -10.7177 -10.5290 -10.5290 -10.2325 -10.2325 -5.3901 -5.3901 -4.6898 -4.6898 -3.8785 -3.8785 -3.8042 -3.8042 -3.7750 -3.7750 -3.6249 -3.6249 -2.4553 -2.4553 -2.3171 -2.3171 -1.9973 -1.9973 -1.8531 -1.8531 -1.7337 -1.7337 -1.0426 -1.0426 -0.5859 -0.5859 -0.0521 -0.0521 0.9574 0.9574 1.0214 1.0214 1.0440 1.0440 1.3368 1.3368 1.5223 1.5223 1.8934 1.8934 2.0017 2.0017 7.6814 7.6814 7.7385 7.7385 8.8219 8.8219 9.7560 9.7560 9.8620 9.8620 k = 0.4342-0.4929 0.0000 ( 5038 PWs) bands (ev): -16.4799 -16.4799 -16.3578 -16.3578 -11.3114 -11.3114 -10.7171 -10.7171 -10.5305 -10.5305 -10.2344 -10.2344 -5.3907 -5.3907 -4.6930 -4.6930 -3.8917 -3.8917 -3.8080 -3.8080 -3.7741 -3.7741 -3.6106 -3.6106 -2.4561 -2.4561 -2.3179 -2.3179 -1.9965 -1.9965 -1.8536 -1.8536 -1.7338 -1.7338 -1.0414 -1.0414 -0.5842 -0.5842 -0.0500 -0.0500 0.9635 0.9635 1.0252 1.0252 1.0454 1.0454 1.3410 1.3410 1.5294 1.5294 1.8883 1.8883 1.9843 1.9843 7.7022 7.7022 7.7411 7.7411 8.8214 8.8214 9.7466 9.7466 9.8808 9.8808 k = 0.4218-0.4788 0.0000 ( 5036 PWs) bands (ev): -16.4812 -16.4812 -16.3568 -16.3568 -11.3065 -11.3065 -10.7164 -10.7164 -10.5323 -10.5323 -10.2367 -10.2367 -5.3914 -5.3914 -4.6968 -4.6968 -3.9057 -3.9057 -3.8121 -3.8121 -3.7734 -3.7734 -3.5953 -3.5953 -2.4571 -2.4571 -2.3189 -2.3189 -1.9957 -1.9957 -1.8542 -1.8542 -1.7340 -1.7340 -1.0400 -1.0400 -0.5823 -0.5823 -0.0474 -0.0474 0.9692 0.9692 1.0279 1.0279 1.0507 1.0507 1.3461 1.3461 1.5375 1.5375 1.8819 1.8819 1.9641 1.9641 7.7270 7.7270 7.7428 7.7428 8.8216 8.8216 9.7373 9.7373 9.9018 9.9018 k = 0.4094-0.4647 0.0000 ( 5030 PWs) bands (ev): -16.4828 -16.4828 -16.3556 -16.3556 -11.3007 -11.3007 -10.7156 -10.7156 -10.5344 -10.5344 -10.2394 -10.2394 -5.3924 -5.3924 -4.7012 -4.7012 -3.9200 -3.9200 -3.8166 -3.8166 -3.7728 -3.7728 -3.5792 -3.5792 -2.4581 -2.4581 -2.3200 -2.3200 -1.9947 -1.9947 -1.8549 -1.8549 -1.7342 -1.7342 -1.0383 -1.0383 -0.5802 -0.5802 -0.0444 -0.0444 0.9733 0.9733 1.0312 1.0312 1.0596 1.0596 1.3520 1.3520 1.5465 1.5465 1.8738 1.8738 1.9416 1.9416 7.7428 7.7428 7.7557 7.7557 8.8229 8.8229 9.7284 9.7284 9.9251 9.9251 k = 0.3970-0.4506 0.0000 ( 5036 PWs) bands (ev): -16.4846 -16.4846 -16.3543 -16.3543 -11.2942 -11.2942 -10.7148 -10.7148 -10.5368 -10.5368 -10.2425 -10.2425 -5.3937 -5.3937 -4.7061 -4.7061 -3.9343 -3.9343 -3.8215 -3.8215 -3.7725 -3.7725 -3.5627 -3.5627 -2.4591 -2.4591 -2.3214 -2.3214 -1.9937 -1.9937 -1.8557 -1.8557 -1.7345 -1.7345 -1.0364 -1.0364 -0.5780 -0.5780 -0.0409 -0.0409 0.9746 0.9746 1.0374 1.0374 1.0711 1.0711 1.3587 1.3587 1.5562 1.5562 1.8633 1.8633 1.9179 1.9179 7.7406 7.7406 7.7877 7.7877 8.8257 8.8257 9.7199 9.7199 9.9506 9.9506 k = 0.3846-0.4365 0.0000 ( 5050 PWs) bands (ev): -16.4866 -16.4866 -16.3528 -16.3528 -11.2868 -11.2868 -10.7138 -10.7138 -10.5395 -10.5395 -10.2460 -10.2460 -5.3952 -5.3952 -4.7114 -4.7114 -3.9484 -3.9484 -3.8266 -3.8266 -3.7725 -3.7725 -3.5459 -3.5459 -2.4602 -2.4602 -2.3231 -2.3231 -1.9927 -1.9927 -1.8566 -1.8566 -1.7349 -1.7349 -1.0342 -1.0342 -0.5758 -0.5758 -0.0369 -0.0369 0.9729 0.9729 1.0471 1.0471 1.0847 1.0847 1.3661 1.3661 1.5663 1.5663 1.8484 1.8484 1.8951 1.8951 7.7349 7.7349 7.8230 7.8230 8.8309 8.8309 9.7119 9.7119 9.9783 9.9783 k = 0.3722-0.4225 0.0000 ( 5042 PWs) bands (ev): -16.4889 -16.4889 -16.3511 -16.3511 -11.2786 -11.2786 -10.7128 -10.7128 -10.5425 -10.5425 -10.2499 -10.2499 -5.3972 -5.3972 -4.7170 -4.7170 -3.9620 -3.9620 -3.8319 -3.8319 -3.7728 -3.7728 -3.5289 -3.5289 -2.4612 -2.4612 -2.3248 -2.3248 -1.9916 -1.9916 -1.8576 -1.8576 -1.7354 -1.7354 -1.0318 -1.0318 -0.5735 -0.5735 -0.0324 -0.0324 0.9690 0.9690 1.0598 1.0598 1.1002 1.1002 1.3742 1.3742 1.5767 1.5767 1.8271 1.8271 1.8760 1.8760 7.7250 7.7250 7.8614 7.8614 8.8392 8.8392 9.7047 9.7047 10.0080 10.0080 k = 0.3598-0.4084 0.0000 ( 5038 PWs) bands (ev): -16.4913 -16.4913 -16.3493 -16.3493 -11.2697 -11.2697 -10.7118 -10.7118 -10.5458 -10.5458 -10.2541 -10.2541 -5.3996 -5.3996 -4.7229 -4.7229 -3.9751 -3.9751 -3.8374 -3.8374 -3.7734 -3.7734 -3.5118 -3.5118 -2.4621 -2.4621 -2.3269 -2.3269 -1.9905 -1.9905 -1.8585 -1.8585 -1.7359 -1.7359 -1.0292 -1.0292 -0.5713 -0.5713 -0.0275 -0.0275 0.9638 0.9638 1.0745 1.0745 1.1176 1.1176 1.3829 1.3829 1.5871 1.5871 1.7993 1.7993 1.8610 1.8610 7.7100 7.7100 7.9026 7.9026 8.8512 8.8512 9.6983 9.6983 10.0389 10.0389 k = 0.3474-0.3943 0.0000 ( 5042 PWs) bands (ev): -16.4939 -16.4939 -16.3473 -16.3473 -11.2600 -11.2600 -10.7107 -10.7107 -10.5494 -10.5494 -10.2588 -10.2588 -5.4024 -5.4024 -4.7289 -4.7289 -3.9874 -3.9874 -3.8432 -3.8432 -3.7743 -3.7743 -3.4947 -3.4947 -2.4629 -2.4629 -2.3291 -2.3291 -1.9895 -1.9895 -1.8596 -1.8596 -1.7366 -1.7366 -1.0263 -1.0263 -0.5692 -0.5692 -0.0221 -0.0221 0.9580 0.9580 1.0905 1.0905 1.1369 1.1369 1.3922 1.3922 1.5969 1.5969 1.7678 1.7678 1.8481 1.8481 7.6892 7.6892 7.9463 7.9463 8.8676 8.8676 9.6928 9.6928 10.0252 10.0252 k = 0.3350-0.3802 0.0000 ( 5040 PWs) bands (ev): -16.4967 -16.4967 -16.3452 -16.3452 -11.2496 -11.2496 -10.7095 -10.7095 -10.5533 -10.5533 -10.2637 -10.2637 -5.4059 -5.4059 -4.7349 -4.7349 -3.9990 -3.9990 -3.8491 -3.8491 -3.7756 -3.7756 -3.4777 -3.4777 -2.4635 -2.4635 -2.3315 -2.3315 -1.9885 -1.9885 -1.8607 -1.8607 -1.7374 -1.7374 -1.0232 -1.0232 -0.5673 -0.5673 -0.0162 -0.0162 0.9520 0.9520 1.1073 1.1073 1.1579 1.1579 1.4018 1.4018 1.6051 1.6051 1.7353 1.7353 1.8359 1.8359 7.6623 7.6623 7.9923 7.9923 8.8889 8.8889 9.6882 9.6882 9.9975 9.9975 k = 0.3226-0.3661 0.0000 ( 5038 PWs) bands (ev): -16.4996 -16.4996 -16.3429 -16.3429 -11.2385 -11.2385 -10.7084 -10.7084 -10.5574 -10.5574 -10.2690 -10.2690 -5.4100 -5.4100 -4.7407 -4.7407 -4.0099 -4.0099 -3.8552 -3.8552 -3.7772 -3.7772 -3.4606 -3.4606 -2.4639 -2.4639 -2.3341 -2.3341 -1.9876 -1.9876 -1.8619 -1.8619 -1.7383 -1.7383 -1.0200 -1.0200 -0.5657 -0.5657 -0.0098 -0.0098 0.9460 0.9460 1.1246 1.1246 1.1807 1.1807 1.4118 1.4118 1.6088 1.6088 1.7057 1.7057 1.8238 1.8238 7.6291 7.6291 8.0403 8.0403 8.9152 8.9152 9.6846 9.6846 9.9716 9.9716 k = 0.3101-0.3520 0.0000 ( 5036 PWs) bands (ev): -16.5027 -16.5027 -16.3405 -16.3405 -11.2267 -11.2267 -10.7072 -10.7072 -10.5619 -10.5619 -10.2746 -10.2746 -5.4147 -5.4147 -4.7461 -4.7461 -4.0199 -4.0199 -3.8613 -3.8613 -3.7791 -3.7791 -3.4438 -3.4438 -2.4641 -2.4641 -2.3369 -2.3369 -1.9868 -1.9868 -1.8631 -1.8631 -1.7393 -1.7393 -1.0165 -1.0165 -0.5643 -0.5643 -0.0030 -0.0030 0.9403 0.9403 1.1421 1.1421 1.2051 1.2051 1.4219 1.4219 1.6016 1.6016 1.6860 1.6860 1.8117 1.8117 7.5899 7.5899 8.0901 8.0901 8.9466 8.9466 9.6819 9.6819 9.9466 9.9466 k = 0.2977-0.3380 0.0000 ( 5034 PWs) bands (ev): -16.5059 -16.5059 -16.3380 -16.3380 -11.2143 -11.2143 -10.7061 -10.7061 -10.5667 -10.5667 -10.2805 -10.2805 -5.4202 -5.4202 -4.7512 -4.7512 -4.0291 -4.0291 -3.8676 -3.8676 -3.7814 -3.7814 -3.4270 -3.4270 -2.4641 -2.4641 -2.3399 -2.3399 -1.9860 -1.9860 -1.8644 -1.8644 -1.7405 -1.7405 -1.0129 -1.0129 -0.5633 -0.5633 0.0043 0.0043 0.9349 0.9349 1.1597 1.1597 1.2308 1.2308 1.4318 1.4318 1.5788 1.5788 1.6814 1.6814 1.7995 1.7995 7.5450 7.5450 8.1414 8.1414 8.9827 8.9827 9.6803 9.6803 9.9219 9.9219 k = 0.2853-0.3239 0.0000 ( 5036 PWs) bands (ev): -16.5091 -16.5091 -16.3355 -16.3355 -11.2012 -11.2012 -10.7049 -10.7049 -10.5718 -10.5718 -10.2867 -10.2867 -5.4264 -5.4264 -4.7556 -4.7556 -4.0375 -4.0375 -3.8738 -3.8738 -3.7840 -3.7840 -3.4105 -3.4105 -2.4638 -2.4638 -2.3429 -2.3429 -1.9854 -1.9854 -1.8657 -1.8657 -1.7417 -1.7417 -1.0092 -1.0092 -0.5627 -0.5627 0.0121 0.0121 0.9300 0.9300 1.1772 1.1772 1.2578 1.2578 1.4412 1.4412 1.5466 1.5466 1.6866 1.6866 1.7871 1.7871 7.4950 7.4950 8.1940 8.1940 9.0230 9.0230 9.6797 9.6797 9.8968 9.8968 k = 0.2729-0.3098 0.0000 ( 5042 PWs) bands (ev): -16.5125 -16.5125 -16.3328 -16.3328 -11.1876 -11.1876 -10.7038 -10.7038 -10.5772 -10.5772 -10.2931 -10.2931 -5.4334 -5.4334 -4.7593 -4.7593 -4.0451 -4.0451 -3.8802 -3.8802 -3.7870 -3.7870 -3.3941 -3.3941 -2.4633 -2.4633 -2.3461 -2.3461 -1.9850 -1.9850 -1.8670 -1.8670 -1.7431 -1.7431 -1.0054 -1.0054 -0.5625 -0.5625 0.0202 0.0202 0.9255 0.9255 1.1945 1.1945 1.2857 1.2857 1.4480 1.4480 1.5128 1.5128 1.6958 1.6958 1.7748 1.7748 7.4408 7.4408 8.2478 8.2478 9.0667 9.0667 9.6799 9.6799 9.8712 9.8712 k = 0.2605-0.2957 0.0000 ( 5038 PWs) bands (ev): -16.5159 -16.5159 -16.3301 -16.3301 -11.1733 -11.1733 -10.7027 -10.7027 -10.5830 -10.5830 -10.2998 -10.2998 -5.4412 -5.4412 -4.7623 -4.7623 -4.0520 -4.0520 -3.8865 -3.8865 -3.7902 -3.7902 -3.3780 -3.3780 -2.4625 -2.4625 -2.3494 -2.3494 -1.9846 -1.9846 -1.8683 -1.8683 -1.7446 -1.7446 -1.0016 -1.0016 -0.5627 -0.5627 0.0287 0.0287 0.9215 0.9215 1.2113 1.2113 1.3141 1.3141 1.4430 1.4430 1.4895 1.4895 1.7063 1.7063 1.7630 1.7630 7.3831 7.3831 8.3024 8.3024 9.1128 9.1128 9.6811 9.6811 9.8456 9.8456 k = 0.2481-0.2816 0.0000 ( 5034 PWs) bands (ev): -16.5194 -16.5194 -16.3273 -16.3273 -11.1585 -11.1585 -10.7016 -10.7016 -10.5890 -10.5890 -10.3066 -10.3066 -5.4496 -5.4496 -4.7643 -4.7643 -4.0582 -4.0582 -3.8927 -3.8927 -3.7938 -3.7938 -3.3621 -3.3621 -2.4616 -2.4616 -2.3526 -2.3526 -1.9844 -1.9844 -1.8696 -1.8696 -1.7462 -1.7462 -0.9977 -0.9977 -0.5632 -0.5632 0.0375 0.0375 0.9180 0.9180 1.2274 1.2274 1.3426 1.3426 1.4161 1.4161 1.4885 1.4885 1.7162 1.7162 1.7527 1.7527 7.3228 7.3228 8.3578 8.3578 9.1602 9.1602 9.6831 9.6831 9.8206 9.8206 k = 0.2357-0.2676 0.0000 ( 5032 PWs) bands (ev): -16.5228 -16.5228 -16.3245 -16.3245 -11.1433 -11.1433 -10.7006 -10.7006 -10.5955 -10.5955 -10.3136 -10.3136 -5.4588 -5.4588 -4.7655 -4.7655 -4.0637 -4.0637 -3.8989 -3.8989 -3.7975 -3.7975 -3.3466 -3.3466 -2.4605 -2.4605 -2.3558 -2.3558 -1.9843 -1.9843 -1.8709 -1.8709 -1.7478 -1.7478 -0.9937 -0.9937 -0.5643 -0.5643 0.0467 0.0467 0.9150 0.9150 1.2424 1.2424 1.3656 1.3656 1.3866 1.3866 1.4965 1.4965 1.7209 1.7209 1.7483 1.7483 7.2606 7.2606 8.4138 8.4138 9.2075 9.2075 9.6858 9.6858 9.7973 9.7973 k = 0.2233-0.2535 0.0000 ( 5028 PWs) bands (ev): -16.5262 -16.5262 -16.3218 -16.3218 -11.1275 -11.1275 -10.6997 -10.6997 -10.6023 -10.6023 -10.3207 -10.3207 -5.4685 -5.4685 -4.7658 -4.7658 -4.0687 -4.0687 -3.9049 -3.9049 -3.8015 -3.8015 -3.3313 -3.3313 -2.4593 -2.4593 -2.3589 -2.3589 -1.9844 -1.9844 -1.8722 -1.8722 -1.7494 -1.7494 -0.9899 -0.9899 -0.5657 -0.5657 0.0561 0.0561 0.9124 0.9124 1.2550 1.2550 1.3418 1.3418 1.4038 1.4038 1.5069 1.5069 1.7157 1.7157 1.7543 1.7543 7.1974 7.1974 8.4703 8.4703 9.2529 9.2529 9.6892 9.6892 9.7772 9.7772 k = 0.2109-0.2394 0.0000 ( 5030 PWs) bands (ev): -16.5296 -16.5296 -16.3190 -16.3190 -11.1114 -11.1114 -10.6987 -10.6987 -10.6095 -10.6095 -10.3278 -10.3278 -5.4786 -5.4786 -4.7652 -4.7652 -4.0731 -4.0731 -3.9108 -3.9108 -3.8057 -3.8057 -3.3165 -3.3165 -2.4580 -2.4580 -2.3619 -2.3619 -1.9845 -1.9845 -1.8735 -1.8735 -1.7512 -1.7512 -0.9860 -0.9860 -0.5675 -0.5675 0.0656 0.0656 0.9101 0.9101 1.2599 1.2599 1.3142 1.3142 1.4308 1.4308 1.5187 1.5187 1.7059 1.7059 1.7654 1.7654 7.1338 7.1338 8.5271 8.5271 9.2943 9.2943 9.6932 9.6932 9.7618 9.7618 k = 0.1985-0.2253 0.0000 ( 5030 PWs) bands (ev): -16.5330 -16.5330 -16.3163 -16.3163 -11.0948 -11.0948 -10.6979 -10.6979 -10.6171 -10.6171 -10.3349 -10.3349 -5.4892 -5.4892 -4.7638 -4.7638 -4.0770 -4.0770 -3.9165 -3.9165 -3.8101 -3.8101 -3.3021 -3.3021 -2.4569 -2.4569 -2.3646 -2.3646 -1.9848 -1.9848 -1.8748 -1.8748 -1.7529 -1.7529 -0.9823 -0.9823 -0.5697 -0.5697 0.0753 0.0753 0.9083 0.9083 1.2444 1.2444 1.3064 1.3064 1.4565 1.4565 1.5320 1.5320 1.6954 1.6954 1.7779 1.7779 7.0706 7.0706 8.5841 8.5841 9.3294 9.3294 9.6976 9.6976 9.7530 9.7530 k = 0.1861-0.2112 0.0000 ( 5032 PWs) bands (ev): -16.5362 -16.5362 -16.3136 -16.3136 -11.0779 -11.0779 -10.6971 -10.6971 -10.6252 -10.6252 -10.3420 -10.3420 -5.5000 -5.5000 -4.7617 -4.7617 -4.0805 -4.0805 -3.9220 -3.9220 -3.8146 -3.8146 -3.2881 -3.2881 -2.4559 -2.4559 -2.3669 -2.3669 -1.9852 -1.9852 -1.8760 -1.8760 -1.7545 -1.7545 -0.9786 -0.9786 -0.5722 -0.5722 0.0851 0.0851 0.9067 0.9067 1.2145 1.2145 1.3131 1.3131 1.4793 1.4793 1.5476 1.5476 1.6853 1.6853 1.7908 1.7908 7.0084 7.0084 8.6413 8.6413 9.3561 9.3561 9.7025 9.7025 9.7525 9.7525 k = 0.1737-0.1971 0.0000 ( 5036 PWs) bands (ev): -16.5394 -16.5394 -16.3110 -16.3110 -11.0607 -11.0607 -10.6964 -10.6964 -10.6337 -10.6337 -10.3490 -10.3490 -5.5109 -5.5109 -4.7588 -4.7588 -4.0836 -4.0836 -3.9272 -3.9272 -3.8191 -3.8191 -3.2747 -3.2747 -2.4551 -2.4551 -2.3689 -2.3689 -1.9856 -1.9856 -1.8773 -1.8773 -1.7562 -1.7562 -0.9751 -0.9751 -0.5750 -0.5750 0.0948 0.0948 0.9053 0.9053 1.1820 1.1820 1.3227 1.3227 1.4983 1.4983 1.5658 1.5658 1.6761 1.6761 1.8037 1.8037 6.9477 6.9477 8.6985 8.6985 9.3729 9.3729 9.7076 9.7076 9.7609 9.7609 k = 0.1613-0.1831 0.0000 ( 5034 PWs) bands (ev): -16.5424 -16.5424 -16.3085 -16.3085 -11.0432 -11.0432 -10.6957 -10.6957 -10.6428 -10.6428 -10.3558 -10.3558 -5.5217 -5.5217 -4.7555 -4.7555 -4.0863 -4.0863 -3.9322 -3.9322 -3.8236 -3.8236 -3.2618 -3.2618 -2.4547 -2.4547 -2.3703 -2.3703 -1.9862 -1.9862 -1.8784 -1.8784 -1.7578 -1.7578 -0.9718 -0.9718 -0.5780 -0.5780 0.1044 0.1044 0.9040 0.9040 1.1500 1.1500 1.3323 1.3323 1.5132 1.5132 1.5860 1.5860 1.6684 1.6684 1.8164 1.8164 6.8890 6.8890 8.7558 8.7558 9.3803 9.3803 9.7130 9.7130 9.7774 9.7774 k = 0.1489-0.1690 0.0000 ( 5034 PWs) bands (ev): -16.5453 -16.5453 -16.3061 -16.3061 -11.0255 -11.0255 -10.6951 -10.6951 -10.6523 -10.6523 -10.3624 -10.3624 -5.5324 -5.5324 -4.7517 -4.7517 -4.0886 -4.0886 -3.9368 -3.9368 -3.8281 -3.8281 -3.2496 -3.2496 -2.4546 -2.4546 -2.3713 -2.3713 -1.9867 -1.9867 -1.8796 -1.8796 -1.7593 -1.7593 -0.9686 -0.9686 -0.5812 -0.5812 0.1139 0.1139 0.9028 0.9028 1.1196 1.1196 1.3410 1.3410 1.5250 1.5250 1.6058 1.6058 1.6638 1.6638 1.8288 1.8288 6.8328 6.8328 8.8131 8.8131 9.3800 9.3800 9.7184 9.7184 9.7994 9.7994 k = 0.1365-0.1549 0.0000 ( 5040 PWs) bands (ev): -16.5480 -16.5480 -16.3038 -16.3038 -11.0076 -11.0076 -10.6945 -10.6945 -10.6624 -10.6624 -10.3688 -10.3688 -5.5428 -5.5428 -4.7476 -4.7476 -4.0907 -4.0907 -3.9412 -3.9412 -3.8325 -3.8325 -3.2380 -3.2380 -2.4550 -2.4550 -2.3717 -2.3717 -1.9873 -1.9873 -1.8806 -1.8806 -1.7608 -1.7608 -0.9656 -0.9656 -0.5845 -0.5845 0.1230 0.1230 0.9016 0.9016 1.0912 1.0912 1.3486 1.3486 1.5346 1.5346 1.6207 1.6207 1.6656 1.6656 1.8406 1.8406 6.7795 6.7795 8.8703 8.8703 9.3744 9.3744 9.7238 9.7238 9.8240 9.8240 k = 0.1241-0.1408 0.0000 ( 5044 PWs) bands (ev): -16.5506 -16.5506 -16.3017 -16.3017 -10.9896 -10.9896 -10.6940 -10.6940 -10.6731 -10.6731 -10.3747 -10.3747 -5.5528 -5.5528 -4.7433 -4.7433 -4.0925 -4.0925 -3.9452 -3.9452 -3.8368 -3.8368 -3.2272 -3.2272 -2.4557 -2.4557 -2.3717 -2.3717 -1.9880 -1.9880 -1.8817 -1.8817 -1.7621 -1.7621 -0.9629 -0.9629 -0.5879 -0.5879 0.1318 0.1318 0.9002 0.9002 1.0650 1.0650 1.3549 1.3549 1.5427 1.5427 1.6262 1.6262 1.6775 1.6775 1.8520 1.8520 6.7296 6.7296 8.9273 8.9273 9.3656 9.3656 9.7291 9.7291 9.8482 9.8482 k = 0.1117-0.1267 0.0000 ( 5046 PWs) bands (ev): -16.5529 -16.5529 -16.2997 -16.2997 -10.9715 -10.9715 -10.6936 -10.6936 -10.6844 -10.6844 -10.3803 -10.3803 -5.5622 -5.5622 -4.7390 -4.7390 -4.0941 -4.0941 -3.9489 -3.9489 -3.8408 -3.8408 -3.2172 -3.2172 -2.4568 -2.4568 -2.3712 -2.3712 -1.9886 -1.9886 -1.8826 -1.8826 -1.7633 -1.7633 -0.9604 -0.9604 -0.5912 -0.5912 0.1401 0.1401 0.8985 0.8985 1.0415 1.0415 1.3600 1.3600 1.5495 1.5495 1.6257 1.6257 1.6955 1.6955 1.8626 1.8626 6.6833 6.6833 8.9842 8.9842 9.3552 9.3552 9.7341 9.7341 9.8694 9.8694 k = 0.0992-0.1127 0.0000 ( 5048 PWs) bands (ev): -16.5551 -16.5551 -16.2979 -16.2979 -10.9534 -10.9534 -10.6962 -10.6962 -10.6932 -10.6932 -10.3854 -10.3854 -5.5709 -5.5709 -4.7347 -4.7347 -4.0955 -4.0955 -3.9522 -3.9522 -3.8446 -3.8446 -3.2080 -3.2080 -2.4581 -2.4581 -2.3704 -2.3704 -1.9892 -1.9892 -1.8834 -1.8834 -1.7644 -1.7644 -0.9581 -0.9581 -0.5944 -0.5944 0.1479 0.1479 0.8965 0.8965 1.0207 1.0207 1.3638 1.3638 1.5554 1.5554 1.6236 1.6236 1.7148 1.7148 1.8724 1.8724 6.6411 6.6411 9.0409 9.0409 9.3444 9.3444 9.7389 9.7389 9.8851 9.8851 k = 0.0868-0.0986 0.0000 ( 5048 PWs) bands (ev): -16.5570 -16.5570 -16.2962 -16.2962 -10.9353 -10.9353 -10.7087 -10.7087 -10.6929 -10.6929 -10.3900 -10.3900 -5.5788 -5.5788 -4.7307 -4.7307 -4.0966 -4.0966 -3.9551 -3.9551 -3.8481 -3.8481 -3.1997 -3.1997 -2.4595 -2.4595 -2.3693 -2.3693 -1.9898 -1.9898 -1.8842 -1.8842 -1.7654 -1.7654 -0.9560 -0.9560 -0.5975 -0.5975 0.1550 0.1550 0.8940 0.8940 1.0029 1.0029 1.3666 1.3666 1.5605 1.5605 1.6214 1.6214 1.7333 1.7333 1.8813 1.8813 6.6031 6.6031 9.0972 9.0972 9.3339 9.3339 9.7431 9.7431 9.8936 9.8936 k = 0.0744-0.0845 0.0000 ( 5049 PWs) bands (ev): -16.5587 -16.5587 -16.2948 -16.2948 -10.9173 -10.9173 -10.7217 -10.7217 -10.6926 -10.6926 -10.3941 -10.3941 -5.5859 -5.5859 -4.7269 -4.7269 -4.0976 -4.0976 -3.9576 -3.9576 -3.8512 -3.8512 -3.1924 -3.1924 -2.4611 -2.4611 -2.3682 -2.3682 -1.9903 -1.9903 -1.8849 -1.8849 -1.7662 -1.7662 -0.9543 -0.9543 -0.6003 -0.6003 0.1613 0.1613 0.8910 0.8910 0.9882 0.9882 1.3684 1.3684 1.5649 1.5649 1.6196 1.6196 1.7502 1.7502 1.8892 1.8892 6.5696 6.5696 9.1531 9.1531 9.3242 9.3242 9.7468 9.7468 9.8939 9.8939 k = 0.0620-0.0704 0.0000 ( 5047 PWs) bands (ev): -16.5601 -16.5601 -16.2936 -16.2936 -10.8994 -10.8994 -10.7353 -10.7353 -10.6924 -10.6924 -10.3977 -10.3977 -5.5920 -5.5920 -4.7235 -4.7235 -4.0984 -4.0984 -3.9598 -3.9598 -3.8540 -3.8540 -3.1862 -3.1862 -2.4625 -2.4625 -2.3670 -2.3670 -1.9908 -1.9908 -1.8854 -1.8854 -1.7669 -1.7669 -0.9528 -0.9528 -0.6028 -0.6028 0.1669 0.1669 0.8876 0.8876 0.9766 0.9766 1.3695 1.3695 1.5685 1.5685 1.6183 1.6183 1.7651 1.7651 1.8960 1.8960 6.5409 6.5409 9.2081 9.2081 9.3157 9.3157 9.7495 9.7495 9.8657 9.8657 k = 0.0496-0.0563 0.0000 ( 5043 PWs) bands (ev): -16.5613 -16.5613 -16.2925 -16.2925 -10.8817 -10.8817 -10.7494 -10.7494 -10.6922 -10.6922 -10.4006 -10.4006 -5.5971 -5.5971 -4.7207 -4.7207 -4.0991 -4.0991 -3.9615 -3.9615 -3.8562 -3.8562 -3.1810 -3.1810 -2.4638 -2.4638 -2.3659 -2.3659 -1.9912 -1.9912 -1.8859 -1.8859 -1.7675 -1.7675 -0.9515 -0.9515 -0.6049 -0.6049 0.1715 0.1715 0.8840 0.8840 0.9678 0.9678 1.3701 1.3701 1.5714 1.5714 1.6174 1.6174 1.7776 1.7776 1.9017 1.9017 6.5172 6.5172 9.2617 9.2617 9.3086 9.3086 9.7500 9.7500 9.8125 9.8125 k = 0.0372-0.0422 0.0000 ( 5041 PWs) bands (ev): -16.5623 -16.5623 -16.2917 -16.2917 -10.8644 -10.8644 -10.7639 -10.7639 -10.6921 -10.6921 -10.4029 -10.4029 -5.6011 -5.6011 -4.7183 -4.7183 -4.0996 -4.0996 -3.9629 -3.9629 -3.8581 -3.8581 -3.1769 -3.1769 -2.4649 -2.4649 -2.3650 -2.3650 -1.9915 -1.9915 -1.8863 -1.8863 -1.7679 -1.7679 -0.9505 -0.9505 -0.6066 -0.6066 0.1752 0.1752 0.8805 0.8805 0.9616 0.9616 1.3704 1.3704 1.5737 1.5737 1.6168 1.6168 1.7875 1.7875 1.9062 1.9062 6.4986 6.4986 9.3026 9.3026 9.3132 9.3132 9.7384 9.7384 9.7731 9.7731 k = 0.0248-0.0282 0.0000 ( 5045 PWs) bands (ev): -16.5630 -16.5630 -16.2912 -16.2912 -10.8476 -10.8476 -10.7787 -10.7787 -10.6920 -10.6920 -10.4045 -10.4045 -5.6040 -5.6040 -4.7167 -4.7167 -4.0999 -4.0999 -3.9639 -3.9639 -3.8594 -3.8594 -3.1739 -3.1739 -2.4658 -2.4658 -2.3643 -2.3643 -1.9918 -1.9918 -1.8865 -1.8865 -1.7682 -1.7682 -0.9498 -0.9498 -0.6079 -0.6079 0.1779 0.1779 0.8777 0.8777 0.9575 0.9575 1.3704 1.3704 1.5753 1.5753 1.6165 1.6165 1.7947 1.7947 1.9094 1.9094 6.4852 6.4852 9.2989 9.2989 9.3587 9.3587 9.7012 9.7012 9.7645 9.7645 k = 0.0124-0.0141 0.0000 ( 5053 PWs) bands (ev): -16.5634 -16.5634 -16.2908 -16.2908 -10.8319 -10.8319 -10.7932 -10.7932 -10.6919 -10.6919 -10.4055 -10.4055 -5.6058 -5.6058 -4.7156 -4.7156 -4.1001 -4.1001 -3.9645 -3.9645 -3.8602 -3.8602 -3.1722 -3.1722 -2.4663 -2.4663 -2.3639 -2.3639 -1.9919 -1.9919 -1.8867 -1.8867 -1.7685 -1.7685 -0.9494 -0.9494 -0.6086 -0.6086 0.1795 0.1795 0.8758 0.8758 0.9552 0.9552 1.3704 1.3704 1.5763 1.5763 1.6163 1.6163 1.7990 1.7990 1.9114 1.9114 6.4771 6.4771 9.2964 9.2964 9.3935 9.3935 9.6670 9.6670 9.7637 9.7637 k = 0.0000 0.0000 0.0000 ( 5057 PWs) bands (ev): -16.5635 -16.5635 -16.2907 -16.2907 -10.8225 -10.8225 -10.8021 -10.8021 -10.6919 -10.6919 -10.4058 -10.4058 -5.6064 -5.6064 -4.7153 -4.7153 -4.1002 -4.1002 -3.9647 -3.9647 -3.8605 -3.8605 -3.1716 -3.1716 -2.4665 -2.4665 -2.3638 -2.3638 -1.9920 -1.9920 -1.8868 -1.8868 -1.7685 -1.7685 -0.9493 -0.9493 -0.6089 -0.6089 0.1800 0.1800 0.8752 0.8752 0.9544 0.9544 1.3704 1.3704 1.5766 1.5766 1.6162 1.6162 1.8005 1.8005 1.9120 1.9120 6.4744 6.4744 9.2956 9.2956 9.4074 9.4074 9.6532 9.6532 9.7636 9.7636 k = 0.0000 0.0000 0.0000 ( 5057 PWs) bands (ev): -16.5635 -16.5635 -16.2907 -16.2907 -10.8225 -10.8225 -10.8021 -10.8021 -10.6919 -10.6919 -10.4058 -10.4058 -5.6064 -5.6064 -4.7153 -4.7153 -4.1002 -4.1002 -3.9647 -3.9647 -3.8605 -3.8605 -3.1716 -3.1716 -2.4665 -2.4665 -2.3638 -2.3638 -1.9920 -1.9920 -1.8868 -1.8868 -1.7685 -1.7685 -0.9493 -0.9493 -0.6089 -0.6089 0.1800 0.1800 0.8752 0.8752 0.9544 0.9544 1.3704 1.3704 1.5766 1.5766 1.6162 1.6162 1.8005 1.8005 1.9120 1.9120 6.4744 6.4744 9.2956 9.2956 9.4074 9.4074 9.6532 9.6532 9.7636 9.7636 k = 0.0185-0.0024-0.0034 ( 5054 PWs) bands (ev): -16.5634 -16.5634 -16.2908 -16.2908 -10.8285 -10.8285 -10.7978 -10.7978 -10.6906 -10.6906 -10.4057 -10.4057 -5.6058 -5.6058 -4.7155 -4.7155 -4.1000 -4.1000 -3.9645 -3.9645 -3.8602 -3.8602 -3.1722 -3.1722 -2.4663 -2.4663 -2.3638 -2.3638 -1.9919 -1.9919 -1.8867 -1.8867 -1.7685 -1.7685 -0.9498 -0.9498 -0.6084 -0.6084 0.1794 0.1794 0.8755 0.8755 0.9519 0.9519 1.3734 1.3734 1.5762 1.5762 1.6164 1.6164 1.7992 1.7992 1.9119 1.9119 6.4767 6.4767 9.2922 9.2922 9.4019 9.4019 9.6603 9.6603 9.7641 9.7641 k = 0.0370-0.0047-0.0069 ( 5050 PWs) bands (ev): -16.5629 -16.5629 -16.2912 -16.2912 -10.8402 -10.8402 -10.7909 -10.7909 -10.6865 -10.6865 -10.4053 -10.4053 -5.6042 -5.6042 -4.7159 -4.7159 -4.0993 -4.0993 -3.9639 -3.9639 -3.8593 -3.8593 -3.1741 -3.1741 -2.4657 -2.4657 -2.3640 -2.3640 -1.9918 -1.9918 -1.8865 -1.8865 -1.7683 -1.7683 -0.9514 -0.9514 -0.6067 -0.6067 0.1776 0.1776 0.8763 0.8763 0.9450 0.9450 1.3820 1.3820 1.5749 1.5749 1.6171 1.6171 1.7955 1.7955 1.9114 1.9114 6.4835 6.4835 9.2820 9.2820 9.3875 9.3875 9.6795 9.6795 9.7657 9.7657 k = 0.0556-0.0071-0.0103 ( 5052 PWs) bands (ev): -16.5622 -16.5622 -16.2918 -16.2918 -10.8538 -10.8538 -10.7852 -10.7852 -10.6800 -10.6800 -10.4046 -10.4046 -5.6016 -5.6016 -4.7168 -4.7168 -4.0983 -4.0983 -3.9629 -3.9629 -3.8579 -3.8579 -3.1773 -3.1773 -2.4647 -2.4647 -2.3644 -2.3644 -1.9915 -1.9915 -1.8861 -1.8861 -1.7680 -1.7680 -0.9539 -0.9539 -0.6040 -0.6040 0.1746 0.1746 0.8764 0.8764 0.9355 0.9355 1.3951 1.3951 1.5726 1.5726 1.6184 1.6184 1.7895 1.7895 1.9105 1.9105 6.4948 6.4948 9.2652 9.2652 9.3682 9.3682 9.7058 9.7058 9.7698 9.7698 k = 0.0741-0.0094-0.0137 ( 5050 PWs) bands (ev): -16.5612 -16.5612 -16.2927 -16.2927 -10.8683 -10.8683 -10.7812 -10.7812 -10.6714 -10.6714 -10.4037 -10.4037 -5.5980 -5.5980 -4.7179 -4.7179 -4.0969 -4.0969 -3.9615 -3.9615 -3.8560 -3.8560 -3.1818 -3.1818 -2.4634 -2.4634 -2.3648 -2.3648 -1.9912 -1.9912 -1.8856 -1.8856 -1.7676 -1.7676 -0.9572 -0.9572 -0.6005 -0.6005 0.1705 0.1705 0.8732 0.8732 0.9273 0.9273 1.4112 1.4112 1.5695 1.5695 1.6208 1.6208 1.7815 1.7815 1.9092 1.9092 6.5106 6.5106 9.2423 9.2423 9.3477 9.3477 9.7307 9.7307 9.7816 9.7816 k = 0.0926-0.0118-0.0171 ( 5048 PWs) bands (ev): -16.5599 -16.5599 -16.2938 -16.2938 -10.8833 -10.8833 -10.7790 -10.7790 -10.6610 -10.6610 -10.4025 -10.4025 -5.5934 -5.5934 -4.7193 -4.7193 -4.0952 -4.0952 -3.9596 -3.9596 -3.8537 -3.8537 -3.1873 -3.1873 -2.4619 -2.4619 -2.3652 -2.3652 -1.9908 -1.9908 -1.8850 -1.8850 -1.7670 -1.7670 -0.9612 -0.9612 -0.5964 -0.5964 0.1654 0.1654 0.8635 0.8635 0.9246 0.9246 1.4285 1.4285 1.5654 1.5654 1.6247 1.6247 1.7720 1.7720 1.9071 1.9071 6.5307 6.5307 9.2137 9.2137 9.3284 9.3284 9.7439 9.7439 9.8087 9.8087 k = 0.1111-0.0141-0.0206 ( 5050 PWs) bands (ev): -16.5583 -16.5583 -16.2951 -16.2951 -10.8984 -10.8984 -10.7783 -10.7783 -10.6494 -10.6494 -10.4012 -10.4012 -5.5879 -5.5879 -4.7210 -4.7210 -4.0931 -4.0931 -3.9572 -3.9572 -3.8509 -3.8509 -3.1941 -3.1941 -2.4602 -2.4602 -2.3658 -2.3658 -1.9904 -1.9904 -1.8843 -1.8843 -1.7664 -1.7664 -0.9656 -0.9656 -0.5918 -0.5918 0.1592 0.1592 0.8473 0.8473 0.9282 0.9282 1.4453 1.4453 1.5603 1.5603 1.6307 1.6307 1.7612 1.7612 1.9045 1.9045 6.5550 6.5550 9.1807 9.1807 9.3113 9.3113 9.7482 9.7482 9.8455 9.8455 k = 0.1296-0.0165-0.0240 ( 5049 PWs) bands (ev): -16.5565 -16.5565 -16.2967 -16.2967 -10.9135 -10.9135 -10.7787 -10.7787 -10.6370 -10.6370 -10.3996 -10.3996 -5.5816 -5.5816 -4.7229 -4.7229 -4.0909 -4.0909 -3.9542 -3.9542 -3.8477 -3.8477 -3.2018 -3.2018 -2.4584 -2.4584 -2.3662 -2.3662 -1.9899 -1.9899 -1.8834 -1.8834 -1.7656 -1.7656 -0.9702 -0.9702 -0.5869 -0.5869 0.1523 0.1523 0.8274 0.8274 0.9361 0.9361 1.4600 1.4600 1.5543 1.5543 1.6394 1.6394 1.7497 1.7497 1.9013 1.9013 6.5833 6.5833 9.1443 9.1443 9.2965 9.2965 9.7489 9.7489 9.8805 9.8805 k = 0.1481-0.0188-0.0274 ( 5048 PWs) bands (ev): -16.5545 -16.5545 -16.2984 -16.2984 -10.9285 -10.9285 -10.7800 -10.7800 -10.6243 -10.6243 -10.3979 -10.3979 -5.5745 -5.5745 -4.7250 -4.7250 -4.0884 -4.0884 -3.9507 -3.9507 -3.8443 -3.8443 -3.2105 -3.2105 -2.4566 -2.4566 -2.3666 -2.3666 -1.9893 -1.9893 -1.8825 -1.8825 -1.7648 -1.7648 -0.9750 -0.9750 -0.5820 -0.5820 0.1445 0.1445 0.8058 0.8058 0.9469 0.9469 1.4713 1.4713 1.5474 1.5474 1.6510 1.6510 1.7380 1.7380 1.8976 1.8976 6.6155 6.6155 9.1054 9.1054 9.2839 9.2839 9.7480 9.7480 9.8988 9.8988 k = 0.1667-0.0212-0.0309 ( 5045 PWs) bands (ev): -16.5523 -16.5523 -16.3004 -16.3004 -10.9432 -10.9432 -10.7820 -10.7820 -10.6114 -10.6114 -10.3960 -10.3960 -5.5667 -5.5667 -4.7273 -4.7273 -4.0859 -4.0859 -3.9466 -3.9466 -3.8405 -3.8405 -3.2201 -3.2201 -2.4549 -2.4549 -2.3669 -2.3669 -1.9888 -1.9888 -1.8814 -1.8814 -1.7638 -1.7638 -0.9796 -0.9796 -0.5772 -0.5772 0.1361 0.1361 0.7837 0.7837 0.9597 0.9597 1.4787 1.4787 1.5396 1.5396 1.6644 1.6644 1.7271 1.7271 1.8938 1.8938 6.6513 6.6513 9.0647 9.0647 9.2734 9.2734 9.7458 9.7458 9.8967 9.8967 k = 0.1852-0.0235-0.0343 ( 5043 PWs) bands (ev): -16.5498 -16.5498 -16.3025 -16.3025 -10.9576 -10.9576 -10.7845 -10.7845 -10.5987 -10.5987 -10.3941 -10.3941 -5.5584 -5.5584 -4.7297 -4.7297 -4.0832 -4.0832 -3.9419 -3.9419 -3.8365 -3.8365 -3.2305 -3.2305 -2.4534 -2.4534 -2.3669 -2.3669 -1.9882 -1.9882 -1.8803 -1.8803 -1.7628 -1.7628 -0.9841 -0.9841 -0.5728 -0.5728 0.1272 0.1272 0.7617 0.7617 0.9741 0.9741 1.4821 1.4821 1.5312 1.5312 1.6767 1.6767 1.7193 1.7193 1.8904 1.8904 6.6906 6.6906 9.0228 9.0228 9.2649 9.2649 9.7422 9.7422 9.8833 9.8833 k = 0.2037-0.0259-0.0377 ( 5048 PWs) bands (ev): -16.5472 -16.5472 -16.3048 -16.3048 -10.9715 -10.9715 -10.7874 -10.7874 -10.5861 -10.5861 -10.3920 -10.3920 -5.5496 -5.5496 -4.7322 -4.7322 -4.0806 -4.0806 -3.9367 -3.9367 -3.8324 -3.8324 -3.2415 -3.2415 -2.4522 -2.4522 -2.3668 -2.3668 -1.9876 -1.9876 -1.8792 -1.8792 -1.7617 -1.7617 -0.9882 -0.9882 -0.5687 -0.5687 0.1178 0.1178 0.7404 0.7404 0.9900 0.9900 1.4816 1.4816 1.5226 1.5226 1.6809 1.6809 1.7200 1.7200 1.8881 1.8881 6.7330 6.7330 8.9798 8.9798 9.2581 9.2581 9.7373 9.7373 9.8640 9.8640 k = 0.2222-0.0282-0.0411 ( 5046 PWs) bands (ev): -16.5444 -16.5444 -16.3072 -16.3072 -10.9849 -10.9849 -10.7905 -10.7905 -10.5740 -10.5740 -10.3900 -10.3900 -5.5405 -5.5405 -4.7348 -4.7348 -4.0780 -4.0780 -3.9310 -3.9310 -3.8281 -3.8281 -3.2531 -3.2531 -2.4514 -2.4514 -2.3662 -2.3662 -1.9871 -1.9871 -1.8779 -1.8779 -1.7606 -1.7606 -0.9918 -0.9918 -0.5653 -0.5653 0.1082 0.1082 0.7199 0.7199 1.0070 1.0070 1.4774 1.4774 1.5146 1.5146 1.6756 1.6756 1.7288 1.7288 1.8882 1.8882 6.7784 6.7784 8.9359 8.9359 9.2530 9.2530 9.7307 9.7307 9.8411 9.8411 k = 0.2407-0.0306-0.0446 ( 5046 PWs) bands (ev): -16.5415 -16.5415 -16.3097 -16.3097 -10.9978 -10.9978 -10.7938 -10.7938 -10.5623 -10.5623 -10.3879 -10.3879 -5.5311 -5.5311 -4.7373 -4.7373 -4.0756 -4.0756 -3.9248 -3.9248 -3.8236 -3.8236 -3.2651 -3.2651 -2.4510 -2.4510 -2.3654 -2.3654 -1.9866 -1.9866 -1.8767 -1.8767 -1.7594 -1.7594 -0.9950 -0.9950 -0.5624 -0.5624 0.0984 0.0984 0.7006 0.7006 1.0250 1.0250 1.4696 1.4696 1.5078 1.5078 1.6669 1.6669 1.7379 1.7379 1.8919 1.8919 6.8263 6.8263 8.8913 8.8913 9.2494 9.2494 9.7222 9.7222 9.8161 9.8161 k = 0.2593-0.0329-0.0480 ( 5047 PWs) bands (ev): -16.5385 -16.5385 -16.3124 -16.3124 -11.0100 -11.0100 -10.7972 -10.7972 -10.5511 -10.5511 -10.3859 -10.3859 -5.5217 -5.5217 -4.7399 -4.7399 -4.0732 -4.0732 -3.9182 -3.9182 -3.8190 -3.8190 -3.2774 -3.2774 -2.4510 -2.4510 -2.3644 -2.3644 -1.9861 -1.9861 -1.8754 -1.8754 -1.7581 -1.7581 -0.9976 -0.9976 -0.5602 -0.5602 0.0886 0.0886 0.6825 0.6825 1.0438 1.0438 1.4589 1.4589 1.5022 1.5022 1.6576 1.6576 1.7427 1.7427 1.9002 1.9002 6.8765 6.8765 8.8461 8.8461 9.2473 9.2473 9.7111 9.7111 9.7902 9.7902 k = 0.2778-0.0353-0.0514 ( 5046 PWs) bands (ev): -16.5354 -16.5354 -16.3150 -16.3150 -11.0215 -11.0215 -10.8006 -10.8006 -10.5406 -10.5406 -10.3838 -10.3838 -5.5123 -5.5123 -4.7423 -4.7423 -4.0710 -4.0710 -3.9114 -3.9114 -3.8144 -3.8144 -3.2899 -3.2899 -2.4515 -2.4515 -2.3630 -2.3630 -1.9857 -1.9857 -1.8742 -1.8742 -1.7568 -1.7568 -0.9996 -0.9996 -0.5587 -0.5587 0.0789 0.0789 0.6658 0.6658 1.0632 1.0632 1.4461 1.4461 1.4976 1.4976 1.6486 1.6486 1.7423 1.7423 1.9130 1.9130 6.9286 6.9286 8.8002 8.8002 9.2465 9.2465 9.6970 9.6970 9.7648 9.7648 k = 0.2963-0.0376-0.0549 ( 5040 PWs) bands (ev): -16.5324 -16.5324 -16.3177 -16.3177 -11.0322 -11.0322 -10.8040 -10.8040 -10.5307 -10.5307 -10.3819 -10.3819 -5.5030 -5.5030 -4.7447 -4.7447 -4.0690 -4.0690 -3.9045 -3.9045 -3.8096 -3.8096 -3.3024 -3.3024 -2.4522 -2.4522 -2.3615 -2.3615 -1.9853 -1.9853 -1.8729 -1.8729 -1.7556 -1.7556 -1.0011 -1.0011 -0.5578 -0.5578 0.0693 0.0693 0.6505 0.6505 1.0831 1.0831 1.4320 1.4320 1.4938 1.4938 1.6402 1.6402 1.7372 1.7372 1.9290 1.9290 6.9821 6.9821 8.7539 8.7539 9.2470 9.2470 9.6787 9.6787 9.7414 9.7414 k = 0.3148-0.0400-0.0583 ( 5045 PWs) bands (ev): -16.5294 -16.5294 -16.3204 -16.3204 -11.0422 -11.0422 -10.8072 -10.8072 -10.5216 -10.5216 -10.3800 -10.3800 -5.4940 -5.4940 -4.7469 -4.7469 -4.0672 -4.0672 -3.8976 -3.8976 -3.8049 -3.8049 -3.3148 -3.3148 -2.4532 -2.4532 -2.3598 -2.3598 -1.9850 -1.9850 -1.8718 -1.8718 -1.7543 -1.7543 -1.0020 -1.0020 -0.5575 -0.5575 0.0601 0.0601 0.6367 0.6367 1.1032 1.1032 1.4173 1.4173 1.4906 1.4906 1.6325 1.6325 1.7285 1.7285 1.9468 1.9468 7.0366 7.0366 8.7072 8.7072 9.2487 9.2487 9.6561 9.6561 9.7210 9.7210 k = 0.3333-0.0424-0.0617 ( 5047 PWs) bands (ev): -16.5264 -16.5264 -16.3230 -16.3230 -11.0513 -11.0513 -10.8103 -10.8103 -10.5132 -10.5132 -10.3783 -10.3783 -5.4855 -5.4855 -4.7490 -4.7490 -4.0656 -4.0656 -3.8909 -3.8909 -3.8000 -3.8000 -3.3269 -3.3269 -2.4545 -2.4545 -2.3580 -2.3580 -1.9848 -1.9848 -1.8707 -1.8707 -1.7531 -1.7531 -1.0026 -1.0026 -0.5577 -0.5577 0.0514 0.0514 0.6243 0.6243 1.1233 1.1233 1.4023 1.4023 1.4882 1.4882 1.6256 1.6256 1.7172 1.7172 1.9652 1.9652 7.0914 7.0914 8.6605 8.6605 9.2515 9.2515 9.6300 9.6300 9.7037 9.7037 k = 0.3519-0.0447-0.0652 ( 5052 PWs) bands (ev): -16.5236 -16.5236 -16.3256 -16.3256 -11.0596 -11.0596 -10.8132 -10.8132 -10.5057 -10.5057 -10.3767 -10.3767 -5.4775 -5.4775 -4.7509 -4.7509 -4.0642 -4.0642 -3.8845 -3.8845 -3.7952 -3.7952 -3.3385 -3.3385 -2.4558 -2.4558 -2.3563 -2.3563 -1.9846 -1.9846 -1.8696 -1.8696 -1.7519 -1.7519 -1.0027 -1.0027 -0.5583 -0.5583 0.0432 0.0432 0.6133 0.6133 1.1432 1.1432 1.3875 1.3875 1.4867 1.4867 1.6195 1.6195 1.7043 1.7043 1.9831 1.9831 7.1459 7.1459 8.6140 8.6140 9.2554 9.2554 9.6021 9.6021 9.6885 9.6885 k = 0.3704-0.0471-0.0686 ( 5056 PWs) bands (ev): -16.5209 -16.5209 -16.3279 -16.3279 -11.0670 -11.0670 -10.8158 -10.8158 -10.4989 -10.4989 -10.3752 -10.3752 -5.4701 -5.4701 -4.7526 -4.7526 -4.0630 -4.0630 -3.8785 -3.8785 -3.7905 -3.7905 -3.3495 -3.3495 -2.4572 -2.4572 -2.3546 -2.3546 -1.9844 -1.9844 -1.8687 -1.8687 -1.7508 -1.7508 -1.0025 -1.0025 -0.5592 -0.5592 0.0357 0.0357 0.6038 0.6038 1.1626 1.1626 1.3731 1.3731 1.4860 1.4860 1.6141 1.6141 1.6903 1.6903 2.0000 2.0000 7.1992 7.1992 8.5683 8.5683 9.2602 9.2602 9.5740 9.5740 9.6750 9.6750 k = 0.3889-0.0494-0.0720 ( 5052 PWs) bands (ev): -16.5184 -16.5184 -16.3301 -16.3301 -11.0735 -11.0735 -10.8182 -10.8182 -10.4930 -10.4930 -10.3739 -10.3739 -5.4635 -5.4635 -4.7541 -4.7541 -4.0619 -4.0619 -3.8731 -3.8731 -3.7860 -3.7860 -3.3596 -3.3596 -2.4586 -2.4586 -2.3531 -2.3531 -1.9843 -1.9843 -1.8678 -1.8678 -1.7498 -1.7498 -1.0020 -1.0020 -0.5604 -0.5604 0.0290 0.0290 0.5957 0.5957 1.1813 1.1813 1.3592 1.3592 1.4863 1.4863 1.6095 1.6095 1.6759 1.6759 2.0154 2.0154 7.2503 7.2503 8.5243 8.5243 9.2659 9.2659 9.5466 9.5466 9.6629 9.6629 k = 0.4074-0.0518-0.0754 ( 5059 PWs) bands (ev): -16.5163 -16.5163 -16.3321 -16.3321 -11.0790 -11.0790 -10.8203 -10.8203 -10.4880 -10.4880 -10.3728 -10.3728 -5.4577 -5.4577 -4.7554 -4.7554 -4.0611 -4.0611 -3.8685 -3.8685 -3.7818 -3.7818 -3.3686 -3.3686 -2.4598 -2.4598 -2.3517 -2.3517 -1.9843 -1.9843 -1.8671 -1.8671 -1.7489 -1.7489 -1.0014 -1.0014 -0.5616 -0.5616 0.0232 0.0232 0.5889 0.5889 1.1990 1.1990 1.3460 1.3460 1.4876 1.4876 1.6057 1.6057 1.6614 1.6614 2.0289 2.0289 7.2981 7.2981 8.4828 8.4828 9.2722 9.2722 9.5209 9.5209 9.6522 9.6522 k = 0.4259-0.0541-0.0789 ( 5060 PWs) bands (ev): -16.5144 -16.5144 -16.3338 -16.3338 -11.0835 -11.0835 -10.8220 -10.8220 -10.4839 -10.4839 -10.3719 -10.3719 -5.4529 -5.4529 -4.7564 -4.7564 -4.0604 -4.0604 -3.8646 -3.8646 -3.7780 -3.7780 -3.3764 -3.3764 -2.4609 -2.4609 -2.3505 -2.3505 -1.9842 -1.9842 -1.8665 -1.8665 -1.7482 -1.7482 -1.0008 -1.0008 -0.5628 -0.5628 0.0182 0.0182 0.5834 0.5834 1.2155 1.2155 1.3335 1.3335 1.4898 1.4898 1.6027 1.6027 1.6477 1.6477 2.0402 2.0402 7.3409 7.3409 8.4453 8.4453 9.2790 9.2790 9.4978 9.4978 9.6432 9.6432 k = 0.4444-0.0565-0.0823 ( 5060 PWs) bands (ev): -16.5129 -16.5129 -16.3351 -16.3351 -11.0870 -11.0870 -10.8233 -10.8233 -10.4806 -10.4806 -10.3712 -10.3712 -5.4491 -5.4491 -4.7572 -4.7572 -4.0599 -4.0599 -3.8615 -3.8615 -3.7748 -3.7748 -3.3827 -3.3827 -2.4619 -2.4619 -2.3495 -2.3495 -1.9842 -1.9842 -1.8660 -1.8660 -1.7476 -1.7476 -1.0002 -1.0002 -0.5638 -0.5638 0.0144 0.0144 0.5792 0.5792 1.2305 1.2305 1.3219 1.3219 1.4926 1.4926 1.6007 1.6007 1.6352 1.6352 2.0492 2.0492 7.3772 7.3772 8.4134 8.4134 9.2857 9.2857 9.4780 9.4780 9.6359 9.6359 k = 0.4630-0.0588-0.0857 ( 5060 PWs) bands (ev): -16.5118 -16.5118 -16.3361 -16.3361 -11.0896 -11.0896 -10.8243 -10.8243 -10.4783 -10.4783 -10.3706 -10.3706 -5.4463 -5.4463 -4.7578 -4.7578 -4.0596 -4.0596 -3.8593 -3.8593 -3.7724 -3.7724 -3.3874 -3.3874 -2.4625 -2.4625 -2.3489 -2.3489 -1.9842 -1.9842 -1.8657 -1.8657 -1.7471 -1.7471 -0.9998 -0.9998 -0.5646 -0.5646 0.0115 0.0115 0.5762 0.5762 1.2434 1.2434 1.3115 1.3115 1.4954 1.4954 1.5995 1.5995 1.6248 1.6248 2.0557 2.0557 7.4050 7.4050 8.3887 8.3887 9.2915 9.2915 9.4626 9.4626 9.6306 9.6306 k = 0.4815-0.0612-0.0892 ( 5063 PWs) bands (ev): -16.5111 -16.5111 -16.3367 -16.3367 -11.0911 -11.0911 -10.8249 -10.8249 -10.4769 -10.4769 -10.3703 -10.3703 -5.4446 -5.4446 -4.7581 -4.7581 -4.0594 -4.0594 -3.8579 -3.8579 -3.7709 -3.7709 -3.3902 -3.3902 -2.4630 -2.4630 -2.3484 -2.3484 -1.9842 -1.9842 -1.8655 -1.8655 -1.7469 -1.7469 -0.9994 -0.9994 -0.5651 -0.5651 0.0098 0.0098 0.5745 0.5745 1.2532 1.2532 1.3033 1.3033 1.4976 1.4976 1.5993 1.5993 1.6176 1.6176 2.0596 2.0596 7.4225 7.4225 8.3730 8.3730 9.2957 9.2957 9.4527 9.4527 9.6273 9.6273 k = 0.5000-0.0635-0.0926 ( 5064 PWs) bands (ev): -16.5109 -16.5109 -16.3369 -16.3369 -11.0916 -11.0916 -10.8251 -10.8251 -10.4765 -10.4765 -10.3702 -10.3702 -5.4440 -5.4440 -4.7582 -4.7582 -4.0593 -4.0593 -3.8575 -3.8575 -3.7704 -3.7704 -3.3912 -3.3912 -2.4631 -2.4631 -2.3483 -2.3483 -1.9842 -1.9842 -1.8654 -1.8654 -1.7468 -1.7468 -0.9993 -0.9993 -0.5653 -0.5653 0.0092 0.0092 0.5739 0.5739 1.2573 1.2573 1.2998 1.2998 1.4984 1.4984 1.5993 1.5993 1.6149 1.6149 2.0610 2.0610 7.4285 7.4285 8.3677 8.3677 9.2972 9.2972 9.4492 9.4492 9.6262 9.6262 k = 0.5000-0.0635 0.6601 ( 5016 PWs) bands (ev): -16.3957 -16.3957 -16.2632 -16.2632 -11.0594 -11.0594 -10.9157 -10.9157 -10.5660 -10.5660 -10.5042 -10.5042 -5.0965 -5.0965 -4.8204 -4.8204 -4.5017 -4.5017 -4.2199 -4.2199 -3.7265 -3.7265 -3.6309 -3.6309 -2.5186 -2.5186 -2.1700 -2.1700 -1.9666 -1.9666 -1.8736 -1.8736 -1.7361 -1.7361 -1.4780 -1.4780 -0.5761 -0.5761 0.4632 0.4632 0.7696 0.7696 0.8209 0.8209 1.3826 1.3826 1.4113 1.4113 1.5187 1.5187 1.8951 1.8951 2.5085 2.5085 8.2879 8.2879 8.4087 8.4087 8.4745 8.4745 9.6226 9.6226 9.9386 9.9386 k = 0.4886-0.0621 0.6451 ( 5019 PWs) bands (ev): -16.3959 -16.3959 -16.2632 -16.2632 -11.0595 -11.0595 -10.9156 -10.9156 -10.5659 -10.5659 -10.5039 -10.5039 -5.0973 -5.0973 -4.8201 -4.8201 -4.5015 -4.5015 -4.2196 -4.2196 -3.7289 -3.7289 -3.6284 -3.6284 -2.5182 -2.5182 -2.1704 -2.1704 -1.9667 -1.9667 -1.8738 -1.8738 -1.7364 -1.7364 -1.4794 -1.4794 -0.5729 -0.5729 0.4633 0.4633 0.7706 0.7706 0.8207 0.8207 1.3816 1.3816 1.4104 1.4104 1.5189 1.5189 1.8960 1.8960 2.5076 2.5076 8.2813 8.2813 8.3952 8.3952 8.4927 8.4927 9.6199 9.6199 9.9362 9.9362 k = 0.4773-0.0606 0.6301 ( 5018 PWs) bands (ev): -16.3966 -16.3966 -16.2633 -16.2633 -11.0596 -11.0596 -10.9153 -10.9153 -10.5653 -10.5653 -10.5031 -10.5031 -5.0996 -5.0996 -4.8193 -4.8193 -4.5009 -4.5009 -4.2185 -4.2185 -3.7352 -3.7352 -3.6213 -3.6213 -2.5171 -2.5171 -2.1716 -2.1716 -1.9671 -1.9671 -1.8743 -1.8743 -1.7371 -1.7371 -1.4833 -1.4833 -0.5634 -0.5634 0.4638 0.4638 0.7735 0.7735 0.8202 0.8202 1.3784 1.3784 1.4082 1.4082 1.5194 1.5194 1.8984 1.8984 2.5050 2.5050 8.2596 8.2596 8.3772 8.3772 8.5267 8.5267 9.6119 9.6119 9.9280 9.9280 k = 0.4659-0.0592 0.6151 ( 5015 PWs) bands (ev): -16.3978 -16.3978 -16.2634 -16.2634 -11.0597 -11.0597 -10.9149 -10.9149 -10.5645 -10.5645 -10.5017 -10.5017 -5.1034 -5.1034 -4.8180 -4.8180 -4.4998 -4.4998 -4.2166 -4.2166 -3.7442 -3.7442 -3.6112 -3.6112 -2.5151 -2.5151 -2.1735 -2.1735 -1.9677 -1.9677 -1.8751 -1.8751 -1.7383 -1.7383 -1.4896 -1.4896 -0.5480 -0.5480 0.4645 0.4645 0.7781 0.7781 0.8194 0.8194 1.3719 1.3719 1.4059 1.4059 1.5203 1.5203 1.9022 1.9022 2.5006 2.5006 8.2228 8.2228 8.3683 8.3683 8.5629 8.5629 9.5990 9.5990 9.9125 9.9125 k = 0.4545-0.0578 0.6001 ( 5016 PWs) bands (ev): -16.3994 -16.3994 -16.2635 -16.2635 -11.0599 -11.0599 -10.9143 -10.9143 -10.5633 -10.5633 -10.4998 -10.4998 -5.1087 -5.1087 -4.8163 -4.8163 -4.4984 -4.4984 -4.2140 -4.2140 -3.7547 -3.7547 -3.5991 -3.5991 -2.5124 -2.5124 -2.1763 -2.1763 -1.9685 -1.9685 -1.8761 -1.8761 -1.7398 -1.7398 -1.4978 -1.4978 -0.5273 -0.5273 0.4655 0.4655 0.7839 0.7839 0.8191 0.8191 1.3615 1.3615 1.4044 1.4044 1.5218 1.5218 1.9069 1.9069 2.4946 2.4946 8.1757 8.1757 8.3671 8.3671 8.5981 8.5981 9.5818 9.5818 9.8907 9.8907 k = 0.4432-0.0563 0.5851 ( 5017 PWs) bands (ev): -16.4015 -16.4015 -16.2637 -16.2637 -11.0600 -11.0600 -10.9135 -10.9135 -10.5619 -10.5619 -10.4975 -10.4975 -5.1154 -5.1154 -4.8142 -4.8142 -4.4963 -4.4963 -4.2107 -4.2107 -3.7659 -3.7659 -3.5859 -3.5859 -2.5089 -2.5089 -2.1800 -2.1800 -1.9695 -1.9695 -1.8773 -1.8773 -1.7415 -1.7415 -1.5076 -1.5076 -0.5019 -0.5019 0.4665 0.4665 0.7896 0.7896 0.8203 0.8203 1.3475 1.3475 1.4037 1.4037 1.5239 1.5239 1.9121 1.9121 2.4869 2.4869 8.1225 8.1225 8.3705 8.3705 8.6314 8.6314 9.5612 9.5612 9.8651 9.8651 k = 0.4318-0.0549 0.5701 ( 5018 PWs) bands (ev): -16.4040 -16.4040 -16.2640 -16.2640 -11.0600 -11.0600 -10.9126 -10.9126 -10.5602 -10.5602 -10.4946 -10.4946 -5.1235 -5.1235 -4.8117 -4.8117 -4.4937 -4.4937 -4.2067 -4.2067 -3.7775 -3.7775 -3.5721 -3.5721 -2.5047 -2.5047 -2.1846 -2.1846 -1.9705 -1.9705 -1.8786 -1.8786 -1.7434 -1.7434 -1.5185 -1.5185 -0.4726 -0.4726 0.4675 0.4675 0.7931 0.7931 0.8252 0.8252 1.3308 1.3308 1.4036 1.4036 1.5267 1.5267 1.9173 1.9173 2.4778 2.4778 8.0655 8.0655 8.3770 8.3770 8.6623 8.6623 9.5382 9.5382 9.8381 9.8381 k = 0.4205-0.0534 0.5551 ( 5021 PWs) bands (ev): -16.4069 -16.4069 -16.2643 -16.2643 -11.0599 -11.0599 -10.9117 -10.9117 -10.5583 -10.5583 -10.4913 -10.4913 -5.1328 -5.1328 -4.8090 -4.8090 -4.4903 -4.4903 -4.2020 -4.2020 -3.7891 -3.7891 -3.5579 -3.5579 -2.4999 -2.4999 -2.1901 -2.1901 -1.9715 -1.9715 -1.8799 -1.8799 -1.7454 -1.7454 -1.5301 -1.5301 -0.4400 -0.4400 0.4683 0.4683 0.7933 0.7933 0.8348 0.8348 1.3123 1.3123 1.4038 1.4038 1.5302 1.5302 1.9221 1.9221 2.4672 2.4672 8.0059 8.0059 8.3859 8.3859 8.6904 8.6904 9.5142 9.5142 9.8110 9.8110 k = 0.4091-0.0520 0.5401 ( 5022 PWs) bands (ev): -16.4102 -16.4102 -16.2646 -16.2646 -11.0596 -11.0596 -10.9106 -10.9106 -10.5563 -10.5563 -10.4876 -10.4876 -5.1434 -5.1434 -4.8061 -4.8061 -4.4862 -4.4862 -4.1965 -4.1965 -3.8006 -3.8006 -3.5437 -3.5437 -2.4943 -2.4943 -2.1965 -2.1965 -1.9723 -1.9723 -1.8811 -1.8811 -1.7472 -1.7472 -1.5421 -1.5421 -0.4050 -0.4050 0.4687 0.4687 0.7911 0.7911 0.8482 0.8482 1.2928 1.2928 1.4039 1.4039 1.5343 1.5343 1.9261 1.9261 2.4554 2.4554 7.9444 7.9444 8.3968 8.3968 8.7157 8.7157 9.4904 9.4904 9.7846 9.7846 k = 0.3977-0.0505 0.5251 ( 5019 PWs) bands (ev): -16.4139 -16.4139 -16.2650 -16.2650 -11.0591 -11.0591 -10.9095 -10.9095 -10.5542 -10.5542 -10.4836 -10.4836 -5.1552 -5.1552 -4.8031 -4.8031 -4.4812 -4.4812 -4.1904 -4.1904 -3.8119 -3.8119 -3.5295 -3.5295 -2.4880 -2.4880 -2.2038 -2.2038 -1.9728 -1.9728 -1.8822 -1.8822 -1.7489 -1.7489 -1.5542 -1.5542 -0.3681 -0.3681 0.4683 0.4683 0.7874 0.7874 0.8642 0.8642 1.2732 1.2732 1.4038 1.4038 1.5390 1.5390 1.9289 1.9289 2.4424 2.4424 7.8816 7.8816 8.4096 8.4096 8.7380 8.7380 9.4676 9.4676 9.7593 9.7593 k = 0.3864-0.0491 0.5101 ( 5022 PWs) bands (ev): -16.4179 -16.4179 -16.2655 -16.2655 -11.0583 -11.0583 -10.9083 -10.9083 -10.5521 -10.5521 -10.4791 -10.4791 -5.1680 -5.1680 -4.8001 -4.8001 -4.4751 -4.4751 -4.1837 -4.1837 -3.8228 -3.8228 -3.5156 -3.5156 -2.4812 -2.4812 -2.2117 -2.2117 -1.9729 -1.9729 -1.8832 -1.8832 -1.7503 -1.7503 -1.5664 -1.5664 -0.3301 -0.3301 0.4670 0.4670 0.7829 0.7829 0.8823 0.8823 1.2543 1.2543 1.4034 1.4034 1.5441 1.5441 1.9303 1.9303 2.4285 2.4285 7.8179 7.8179 8.4242 8.4242 8.7574 8.7574 9.4467 9.4467 9.7354 9.7354 k = 0.3750-0.0476 0.4951 ( 5026 PWs) bands (ev): -16.4222 -16.4222 -16.2660 -16.2660 -11.0571 -11.0571 -10.9070 -10.9070 -10.5502 -10.5502 -10.4744 -10.4744 -5.1818 -5.1818 -4.7972 -4.7972 -4.4680 -4.4680 -4.1764 -4.1764 -3.8334 -3.8334 -3.5020 -3.5020 -2.4739 -2.4739 -2.2202 -2.2202 -1.9724 -1.9724 -1.8841 -1.8841 -1.7514 -1.7514 -1.5785 -1.5785 -0.2916 -0.2916 0.4644 0.4644 0.7776 0.7776 0.9019 0.9019 1.2370 1.2370 1.4026 1.4026 1.5495 1.5495 1.9300 1.9300 2.4136 2.4136 7.7536 7.7536 8.4404 8.4404 8.7740 8.7740 9.4281 9.4281 9.7133 9.7133 k = 0.3636-0.0462 0.4801 ( 5030 PWs) bands (ev): -16.4269 -16.4269 -16.2666 -16.2666 -11.0555 -11.0555 -10.9055 -10.9055 -10.5484 -10.5484 -10.4694 -10.4694 -5.1965 -5.1965 -4.7944 -4.7944 -4.4596 -4.4596 -4.1687 -4.1687 -3.8436 -3.8436 -3.4887 -3.4887 -2.4662 -2.4662 -2.2290 -2.2290 -1.9714 -1.9714 -1.8848 -1.8848 -1.7520 -1.7520 -1.5904 -1.5904 -0.2531 -0.2531 0.4600 0.4600 0.7719 0.7719 0.9228 0.9228 1.2219 1.2219 1.4014 1.4014 1.5549 1.5549 1.9281 1.9281 2.3979 2.3979 7.6890 7.6890 8.4581 8.4581 8.7883 8.7883 9.4120 9.4120 9.6935 9.6935 k = 0.3523-0.0448 0.4651 ( 5033 PWs) bands (ev): -16.4317 -16.4317 -16.2673 -16.2673 -11.0535 -11.0535 -10.9040 -10.9040 -10.5469 -10.5469 -10.4641 -10.4641 -5.2120 -5.2120 -4.7917 -4.7917 -4.4500 -4.4500 -4.1604 -4.1604 -3.8534 -3.8534 -3.4759 -3.4759 -2.4582 -2.4582 -2.2379 -2.2379 -1.9698 -1.9698 -1.8853 -1.8853 -1.7521 -1.7521 -1.6021 -1.6021 -0.2150 -0.2150 0.4534 0.4534 0.7659 0.7659 0.9449 0.9449 1.2099 1.2099 1.3996 1.3996 1.5602 1.5602 1.9244 1.9244 2.3816 2.3816 7.6246 7.6246 8.4771 8.4771 8.8007 8.8007 9.3980 9.3980 9.6764 9.6764 k = 0.3409-0.0433 0.4501 ( 5038 PWs) bands (ev): -16.4369 -16.4369 -16.2680 -16.2680 -11.0510 -11.0510 -10.9023 -10.9023 -10.5458 -10.5458 -10.4587 -10.4587 -5.2281 -5.2281 -4.7893 -4.7893 -4.4391 -4.4391 -4.1519 -4.1519 -3.8628 -3.8628 -3.4636 -3.4636 -2.4501 -2.4501 -2.2466 -2.2466 -1.9675 -1.9675 -1.8857 -1.8857 -1.7516 -1.7516 -1.6134 -1.6134 -0.1779 -0.1779 0.4443 0.4443 0.7597 0.7597 0.9679 0.9679 1.2015 1.2015 1.3972 1.3972 1.5651 1.5651 1.9191 1.9191 2.3647 2.3647 7.5604 7.5604 8.4973 8.4973 8.8120 8.8120 9.3856 9.3856 9.6624 9.6624 k = 0.3295-0.0419 0.4351 ( 5042 PWs) bands (ev): -16.4422 -16.4422 -16.2688 -16.2688 -11.0481 -11.0481 -10.9004 -10.9004 -10.5451 -10.5451 -10.4531 -10.4531 -5.2448 -5.2448 -4.7871 -4.7871 -4.4268 -4.4268 -4.1430 -4.1430 -3.8716 -3.8716 -3.4517 -3.4517 -2.4420 -2.4420 -2.2549 -2.2549 -1.9646 -1.9646 -1.8861 -1.8861 -1.7503 -1.7503 -1.6245 -1.6245 -0.1421 -0.1421 0.4322 0.4322 0.7537 0.7537 0.9916 0.9916 1.1971 1.1971 1.3942 1.3942 1.5694 1.5694 1.9124 1.9124 2.3472 2.3472 7.4968 7.4968 8.5184 8.5184 8.8231 8.8231 9.3742 9.3742 9.6520 9.6520 k = 0.3182-0.0404 0.4201 ( 5040 PWs) bands (ev): -16.4477 -16.4477 -16.2696 -16.2696 -11.0447 -11.0447 -10.8983 -10.8983 -10.5448 -10.5448 -10.4475 -10.4475 -5.2620 -5.2620 -4.7850 -4.7850 -4.4132 -4.4132 -4.1340 -4.1340 -3.8800 -3.8800 -3.4404 -3.4404 -2.4340 -2.4340 -2.2626 -2.2626 -1.9611 -1.9611 -1.8863 -1.8863 -1.7483 -1.7483 -1.6351 -1.6351 -0.1080 -0.1080 0.4167 0.4167 0.7482 0.7482 1.0161 1.0161 1.1969 1.1969 1.3905 1.3905 1.5727 1.5727 1.9045 1.9045 2.3292 2.3292 7.4341 7.4341 8.5401 8.5401 8.8348 8.8348 9.3633 9.3633 9.6454 9.6454 k = 0.3068-0.0390 0.4051 ( 5041 PWs) bands (ev): -16.4534 -16.4534 -16.2705 -16.2705 -11.0408 -11.0408 -10.8959 -10.8959 -10.5451 -10.5451 -10.4419 -10.4419 -5.2796 -5.2796 -4.7832 -4.7832 -4.3982 -4.3982 -4.1250 -4.1250 -3.8879 -3.8879 -3.4294 -3.4294 -2.4263 -2.4263 -2.2696 -2.2696 -1.9572 -1.9572 -1.8865 -1.8865 -1.7454 -1.7454 -1.6452 -1.6452 -0.0759 -0.0759 0.3977 0.3977 0.7436 0.7436 1.0411 1.0411 1.2006 1.2006 1.3859 1.3859 1.5749 1.5749 1.8959 1.8959 2.3106 2.3106 7.3724 7.3724 8.5622 8.5622 8.8479 8.8479 9.3526 9.3526 9.6425 9.6425 k = 0.2955-0.0375 0.3901 ( 5037 PWs) bands (ev): -16.4591 -16.4591 -16.2714 -16.2714 -11.0363 -11.0363 -10.8933 -10.8933 -10.5459 -10.5459 -10.4363 -10.4363 -5.2975 -5.2975 -4.7814 -4.7814 -4.3820 -4.3820 -4.1160 -4.1160 -3.8952 -3.8952 -3.4188 -3.4188 -2.4192 -2.4192 -2.2758 -2.2758 -1.9529 -1.9529 -1.8866 -1.8866 -1.7415 -1.7415 -1.6545 -1.6545 -0.0460 -0.0460 0.3751 0.3751 0.7404 0.7404 1.0666 1.0666 1.2081 1.2081 1.3804 1.3804 1.5758 1.5758 1.8867 1.8867 2.2916 2.2916 7.3118 7.3118 8.5846 8.5846 8.8633 8.8633 9.3421 9.3421 9.6430 9.6430 k = 0.2841-0.0361 0.3751 ( 5040 PWs) bands (ev): -16.4650 -16.4650 -16.2723 -16.2723 -11.0314 -11.0314 -10.8904 -10.8904 -10.5474 -10.5474 -10.4309 -10.4309 -5.3156 -5.3156 -4.7797 -4.7797 -4.3645 -4.3645 -4.1072 -4.1072 -3.9020 -3.9020 -3.4086 -3.4086 -2.4127 -2.4127 -2.2812 -2.2812 -1.9485 -1.9485 -1.8867 -1.8867 -1.7369 -1.7369 -1.6626 -1.6626 -0.0185 -0.0185 0.3489 0.3489 0.7387 0.7387 1.0927 1.0927 1.2187 1.2187 1.3739 1.3739 1.5754 1.5754 1.8773 1.8773 2.2721 2.2721 7.2527 7.2527 8.6070 8.6070 8.8812 8.8812 9.3319 9.3319 9.6465 9.6465 k = 0.2727-0.0347 0.3601 ( 5038 PWs) bands (ev): -16.4709 -16.4709 -16.2733 -16.2733 -11.0260 -11.0260 -10.8871 -10.8871 -10.5494 -10.5494 -10.4257 -10.4257 -5.3337 -5.3337 -4.7781 -4.7781 -4.3460 -4.3460 -4.0988 -4.0988 -3.9082 -3.9082 -3.3986 -3.3986 -2.4069 -2.4069 -2.2859 -2.2859 -1.9442 -1.9442 -1.8868 -1.8868 -1.7319 -1.7319 -1.6687 -1.6687 0.0063 0.0063 0.3197 0.3197 0.7388 0.7388 1.1192 1.1192 1.2314 1.2314 1.3666 1.3666 1.5738 1.5738 1.8681 1.8681 2.2522 2.2522 7.1951 7.1951 8.6297 8.6297 8.9017 8.9017 9.3226 9.3226 9.6524 9.6524 k = 0.2614-0.0332 0.3451 ( 5036 PWs) bands (ev): -16.4769 -16.4769 -16.2743 -16.2743 -11.0201 -11.0201 -10.8835 -10.8835 -10.5520 -10.5520 -10.4207 -10.4207 -5.3518 -5.3518 -4.7764 -4.7764 -4.3264 -4.3264 -4.0908 -4.0908 -3.9137 -3.9137 -3.3887 -3.3887 -2.4020 -2.4020 -2.2899 -2.2899 -1.9401 -1.9401 -1.8869 -1.8869 -1.7279 -1.7279 -1.6710 -1.6710 0.0283 0.0283 0.2877 0.2877 0.7407 0.7407 1.1460 1.1460 1.2452 1.2452 1.3589 1.3589 1.5711 1.5711 1.8589 1.8589 2.2319 2.2319 7.1391 7.1391 8.6526 8.6526 8.9247 8.9247 9.3150 9.3150 9.6601 9.6601 k = 0.2500-0.0318 0.3301 ( 5037 PWs) bands (ev): -16.4828 -16.4828 -16.2753 -16.2753 -11.0138 -11.0138 -10.8796 -10.8796 -10.5553 -10.5553 -10.4161 -10.4161 -5.3699 -5.3699 -4.7746 -4.7746 -4.3060 -4.3060 -4.0832 -4.0832 -3.9186 -3.9186 -3.3790 -3.3790 -2.3979 -2.3979 -2.2936 -2.2936 -1.9365 -1.9365 -1.8871 -1.8871 -1.7267 -1.7267 -1.6674 -1.6674 0.0475 0.0475 0.2535 0.2535 0.7443 0.7443 1.1730 1.1730 1.2582 1.2582 1.3521 1.3521 1.5678 1.5678 1.8498 1.8498 2.2113 2.2113 7.0850 7.0850 8.6762 8.6762 8.9494 8.9494 9.3098 9.3098 9.6691 9.6691 k = 0.2386-0.0303 0.3151 ( 5037 PWs) bands (ev): -16.4887 -16.4887 -16.2764 -16.2764 -11.0070 -11.0070 -10.8753 -10.8753 -10.5591 -10.5591 -10.4119 -10.4119 -5.3877 -5.3877 -4.7727 -4.7727 -4.2850 -4.2850 -4.0763 -4.0763 -3.9229 -3.9229 -3.3691 -3.3691 -2.3945 -2.3945 -2.2970 -2.2970 -1.9336 -1.9336 -1.8874 -1.8874 -1.7288 -1.7288 -1.6570 -1.6570 0.0632 0.0632 0.2183 0.2183 0.7495 0.7495 1.1993 1.1993 1.2674 1.2674 1.3491 1.3491 1.5643 1.5643 1.8407 1.8407 2.1907 2.1907 7.0328 7.0328 8.7007 8.7007 8.9751 8.9751 9.3079 9.3079 9.6789 9.6789 k = 0.2273-0.0289 0.3001 ( 5036 PWs) bands (ev): -16.4946 -16.4946 -16.2774 -16.2774 -10.9998 -10.9998 -10.8707 -10.8707 -10.5636 -10.5636 -10.4081 -10.4081 -5.4053 -5.4053 -4.7706 -4.7706 -4.2635 -4.2635 -4.0698 -4.0698 -3.9266 -3.9266 -3.3591 -3.3591 -2.3919 -2.3919 -2.3005 -2.3005 -1.9315 -1.9315 -1.8878 -1.8878 -1.7332 -1.7332 -1.6406 -1.6406 0.0743 0.0743 0.1836 0.1836 0.7561 0.7561 1.2223 1.2223 1.2713 1.2713 1.3535 1.3535 1.5610 1.5610 1.8311 1.8311 2.1702 2.1702 6.9825 6.9825 8.7265 8.7265 9.0005 9.0005 9.3104 9.3104 9.6893 9.6893 k = 0.2159-0.0274 0.2851 ( 5041 PWs) bands (ev): -16.5004 -16.5004 -16.2785 -16.2785 -10.9921 -10.9921 -10.8657 -10.8657 -10.5687 -10.5687 -10.4047 -10.4047 -5.4226 -5.4226 -4.7683 -4.7683 -4.2417 -4.2417 -4.0638 -4.0638 -3.9297 -3.9297 -3.3489 -3.3489 -2.3900 -2.3900 -2.3041 -2.3041 -1.9304 -1.9304 -1.8885 -1.8885 -1.7386 -1.7386 -1.6195 -1.6195 0.0767 0.0767 0.1541 0.1541 0.7639 0.7639 1.2318 1.2318 1.2790 1.2790 1.3656 1.3656 1.5583 1.5583 1.8207 1.8207 2.1501 2.1501 6.9344 6.9344 8.7538 8.7538 9.0246 9.0246 9.3181 9.3181 9.6999 9.6999 k = 0.2045-0.0260 0.2701 ( 5037 PWs) bands (ev): -16.5060 -16.5060 -16.2795 -16.2795 -10.9841 -10.9841 -10.8604 -10.8604 -10.5743 -10.5743 -10.4019 -10.4019 -5.4394 -5.4394 -4.7658 -4.7658 -4.2201 -4.2201 -4.0580 -4.0580 -3.9323 -3.9323 -3.3384 -3.3384 -2.3887 -2.3887 -2.3080 -2.3080 -1.9302 -1.9302 -1.8892 -1.8892 -1.7441 -1.7441 -1.5944 -1.5944 0.0616 0.0616 0.1392 0.1392 0.7729 0.7729 1.2217 1.2217 1.2995 1.2995 1.3825 1.3825 1.5565 1.5565 1.8091 1.8091 2.1306 2.1306 6.8884 6.8884 8.7829 8.7829 9.0465 9.0465 9.3315 9.3315 9.7107 9.7107 k = 0.1932-0.0245 0.2551 ( 5039 PWs) bands (ev): -16.5115 -16.5115 -16.2805 -16.2805 -10.9758 -10.9758 -10.8549 -10.8549 -10.5805 -10.5805 -10.3995 -10.3995 -5.4558 -5.4558 -4.7631 -4.7631 -4.1990 -4.1990 -4.0522 -4.0522 -3.9346 -3.9346 -3.3276 -3.3276 -2.3881 -2.3881 -2.3123 -2.3123 -1.9310 -1.9310 -1.8900 -1.8900 -1.7494 -1.7494 -1.5658 -1.5658 0.0298 0.0298 0.1384 0.1384 0.7827 0.7827 1.2021 1.2021 1.3248 1.3248 1.4015 1.4015 1.5559 1.5559 1.7961 1.7961 2.1120 2.1120 6.8447 6.8447 8.8136 8.8136 9.0659 9.0659 9.3509 9.3509 9.7215 9.7215 k = 0.1818-0.0231 0.2401 ( 5049 PWs) bands (ev): -16.5169 -16.5169 -16.2815 -16.2815 -10.9671 -10.9671 -10.8491 -10.8491 -10.5872 -10.5872 -10.3976 -10.3976 -5.4715 -5.4715 -4.7601 -4.7601 -4.1789 -4.1789 -4.0458 -4.0458 -3.9365 -3.9365 -3.3164 -3.3164 -2.3883 -2.3883 -2.3170 -2.3170 -1.9330 -1.9330 -1.8908 -1.8908 -1.7542 -1.7542 -1.5342 -1.5342 -0.0091 -0.0091 0.1425 0.1425 0.7932 0.7932 1.1784 1.1784 1.3508 1.3508 1.4213 1.4213 1.5567 1.5567 1.7816 1.7816 2.0945 2.0945 6.8032 6.8032 8.8462 8.8462 9.0830 9.0830 9.3754 9.3754 9.7322 9.7322 k = 0.1705-0.0217 0.2250 ( 5051 PWs) bands (ev): -16.5221 -16.5221 -16.2825 -16.2825 -10.9580 -10.9580 -10.8431 -10.8431 -10.5943 -10.5943 -10.3963 -10.3963 -5.4867 -5.4867 -4.7569 -4.7569 -4.1605 -4.1605 -4.0384 -4.0384 -3.9383 -3.9383 -3.3049 -3.3049 -2.3894 -2.3894 -2.3218 -2.3218 -1.9358 -1.9358 -1.8914 -1.8914 -1.7583 -1.7583 -1.4999 -1.4999 -0.0507 -0.0507 0.1477 0.1477 0.8043 0.8043 1.1523 1.1523 1.3760 1.3760 1.4407 1.4407 1.5593 1.5593 1.7655 1.7655 2.0782 2.0782 6.7640 6.7640 8.8802 8.8802 9.0986 9.0986 9.4040 9.4040 9.7428 9.7428 k = 0.1591-0.0202 0.2100 ( 5045 PWs) bands (ev): -16.5270 -16.5270 -16.2835 -16.2835 -10.9488 -10.9488 -10.8369 -10.8369 -10.6019 -10.6019 -10.3954 -10.3954 -5.5011 -5.5011 -4.7535 -4.7535 -4.1445 -4.1445 -4.0293 -4.0293 -3.9399 -3.9399 -3.2931 -3.2931 -2.3914 -2.3914 -2.3267 -2.3267 -1.9396 -1.9396 -1.8918 -1.8918 -1.7618 -1.7618 -1.4632 -1.4632 -0.0936 -0.0936 0.1528 0.1528 0.8158 0.8158 1.1252 1.1252 1.3998 1.3998 1.4587 1.4587 1.5639 1.5639 1.7483 1.7483 2.0630 2.0630 6.7273 6.7273 8.9157 8.9157 9.1137 9.1137 9.4353 9.4353 9.7533 9.7533 k = 0.1477-0.0188 0.1950 ( 5046 PWs) bands (ev): -16.5317 -16.5317 -16.2844 -16.2844 -10.9392 -10.9392 -10.8308 -10.8308 -10.6098 -10.6098 -10.3950 -10.3950 -5.5149 -5.5149 -4.7499 -4.7499 -4.1313 -4.1313 -4.0180 -4.0180 -3.9416 -3.9416 -3.2811 -3.2811 -2.3947 -2.3947 -2.3315 -2.3315 -1.9441 -1.9441 -1.8920 -1.8920 -1.7646 -1.7646 -1.4245 -1.4245 -0.1371 -0.1371 0.1574 0.1574 0.8276 0.8276 1.0976 1.0976 1.4216 1.4216 1.4743 1.4743 1.5712 1.5712 1.7306 1.7306 2.0489 2.0489 6.6929 6.6929 8.9520 8.9520 9.1293 9.1293 9.4679 9.4679 9.7636 9.7636 k = 0.1364-0.0173 0.1800 ( 5044 PWs) bands (ev): -16.5362 -16.5362 -16.2852 -16.2852 -10.9294 -10.9294 -10.8247 -10.8247 -10.6180 -10.6180 -10.3950 -10.3950 -5.5278 -5.5278 -4.7463 -4.7463 -4.1213 -4.1213 -4.0045 -4.0045 -3.9433 -3.9433 -3.2689 -3.2689 -2.3990 -2.3990 -2.3360 -2.3360 -1.9490 -1.9490 -1.8919 -1.8919 -1.7667 -1.7667 -1.3840 -1.3840 -0.1810 -0.1810 0.1615 0.1615 0.8396 0.8396 1.0701 1.0701 1.4406 1.4406 1.4867 1.4867 1.5812 1.5812 1.7135 1.7135 2.0357 2.0357 6.6609 6.6609 8.9888 8.9888 9.1463 9.1463 9.5006 9.5006 9.7737 9.7737 k = 0.1250-0.0159 0.1650 ( 5045 PWs) bands (ev): -16.5403 -16.5403 -16.2861 -16.2861 -10.9195 -10.9195 -10.8187 -10.8187 -10.6265 -10.6265 -10.3954 -10.3954 -5.5399 -5.5399 -4.7425 -4.7425 -4.1141 -4.1141 -3.9894 -3.9894 -3.9449 -3.9449 -3.2567 -3.2567 -2.4045 -2.4045 -2.3402 -2.3402 -1.9544 -1.9544 -1.8917 -1.8917 -1.7683 -1.7683 -1.3421 -1.3421 -0.2250 -0.2250 0.1650 0.1650 0.8517 0.8517 1.0433 1.0433 1.4554 1.4554 1.4964 1.4964 1.5934 1.5934 1.6988 1.6988 2.0232 2.0232 6.6314 6.6314 9.0254 9.0254 9.1654 9.1654 9.5322 9.5322 9.7835 9.7835 k = 0.1136-0.0144 0.1500 ( 5044 PWs) bands (ev): -16.5442 -16.5442 -16.2868 -16.2868 -10.9094 -10.9094 -10.8131 -10.8131 -10.6350 -10.6350 -10.3961 -10.3961 -5.5510 -5.5510 -4.7387 -4.7387 -4.1091 -4.1091 -3.9736 -3.9736 -3.9461 -3.9461 -3.2446 -3.2446 -2.4111 -2.4111 -2.3439 -2.3439 -1.9598 -1.9598 -1.8913 -1.8913 -1.7693 -1.7693 -1.2991 -1.2991 -0.2689 -0.2689 0.1681 0.1681 0.8638 0.8638 1.0177 1.0177 1.4638 1.4638 1.5054 1.5054 1.6055 1.6055 1.6887 1.6887 2.0111 2.0111 6.6044 6.6044 9.0611 9.0611 9.1873 9.1873 9.5618 9.5618 9.7929 9.7929 k = 0.1023-0.0130 0.1350 ( 5041 PWs) bands (ev): -16.5478 -16.5478 -16.2875 -16.2875 -10.8992 -10.8992 -10.8078 -10.8078 -10.6436 -10.6436 -10.3971 -10.3971 -5.5613 -5.5613 -4.7350 -4.7350 -4.1057 -4.1057 -3.9602 -3.9602 -3.9445 -3.9445 -3.2329 -3.2329 -2.4183 -2.4183 -2.3473 -2.3473 -1.9651 -1.9651 -1.8908 -1.8908 -1.7699 -1.7699 -1.2554 -1.2554 -0.3127 -0.3127 0.1707 0.1707 0.8757 0.8757 0.9936 0.9936 1.4641 1.4641 1.5157 1.5157 1.6142 1.6142 1.6866 1.6866 1.9994 1.9994 6.5798 6.5798 9.0954 9.0954 9.2121 9.2121 9.5885 9.5885 9.8019 9.8019 k = 0.0909-0.0116 0.1200 ( 5042 PWs) bands (ev): -16.5510 -16.5510 -16.2882 -16.2882 -10.8889 -10.8889 -10.8032 -10.8032 -10.6520 -10.6520 -10.3983 -10.3983 -5.5706 -5.5706 -4.7314 -4.7314 -4.1035 -4.1035 -3.9560 -3.9560 -3.9341 -3.9341 -3.2216 -3.2216 -2.4260 -2.4260 -2.3504 -2.3504 -1.9702 -1.9702 -1.8902 -1.8902 -1.7702 -1.7702 -1.2113 -1.2113 -0.3561 -0.3561 0.1729 0.1729 0.8871 0.8871 0.9716 0.9716 1.4574 1.4574 1.5269 1.5269 1.6176 1.6176 1.6939 1.6939 1.9877 1.9877 6.5578 6.5578 9.1278 9.1278 9.2396 9.2396 9.6115 9.6115 9.8103 9.8103 k = 0.0795-0.0101 0.1050 ( 5044 PWs) bands (ev): -16.5539 -16.5539 -16.2887 -16.2887 -10.8786 -10.8786 -10.7994 -10.7994 -10.6602 -10.6602 -10.3996 -10.3996 -5.5788 -5.5788 -4.7280 -4.7280 -4.1021 -4.1021 -3.9567 -3.9567 -3.9195 -3.9195 -3.2110 -3.2110 -2.4338 -2.4338 -2.3532 -2.3532 -1.9750 -1.9750 -1.8896 -1.8896 -1.7702 -1.7702 -1.1673 -1.1673 -0.3990 -0.3990 0.1748 0.1748 0.8976 0.8976 0.9524 0.9524 1.4459 1.4459 1.5377 1.5377 1.6176 1.6176 1.7078 1.7078 1.9760 1.9760 6.5384 6.5384 9.1582 9.1582 9.2692 9.2692 9.6301 9.6301 9.8176 9.8176 k = 0.0682-0.0087 0.0900 ( 5043 PWs) bands (ev): -16.5564 -16.5564 -16.2893 -16.2893 -10.8684 -10.8684 -10.7965 -10.7965 -10.6678 -10.6678 -10.4009 -10.4009 -5.5861 -5.5861 -4.7249 -4.7249 -4.1013 -4.1013 -3.9583 -3.9583 -3.9052 -3.9052 -3.2013 -3.2013 -2.4413 -2.4413 -2.3557 -2.3557 -1.9793 -1.9793 -1.8890 -1.8890 -1.7700 -1.7700 -1.1239 -1.1239 -0.4409 -0.4409 0.1763 0.1763 0.9052 0.9052 0.9379 0.9379 1.4317 1.4317 1.5477 1.5477 1.6168 1.6168 1.7247 1.7247 1.9643 1.9643 6.5214 6.5214 9.1869 9.1869 9.2994 9.2994 9.6439 9.6439 9.8230 9.8230 k = 0.0568-0.0072 0.0750 ( 5045 PWs) bands (ev): -16.5586 -16.5586 -16.2897 -16.2897 -10.8584 -10.8584 -10.7949 -10.7949 -10.6747 -10.6747 -10.4022 -10.4022 -5.5922 -5.5922 -4.7221 -4.7221 -4.1007 -4.1007 -3.9600 -3.9600 -3.8922 -3.8922 -3.1927 -3.1927 -2.4483 -2.4483 -2.3580 -2.3580 -1.9831 -1.9831 -1.8884 -1.8884 -1.7697 -1.7697 -1.0818 -1.0818 -0.4814 -0.4814 0.1775 0.1775 0.9045 0.9045 0.9333 0.9333 1.4165 1.4165 1.5563 1.5563 1.6161 1.6161 1.7425 1.7425 1.9527 1.9527 6.5071 6.5071 9.2139 9.2139 9.3287 9.3287 9.6526 9.6526 9.8233 9.8233 k = 0.0455-0.0058 0.0600 ( 5053 PWs) bands (ev): -16.5603 -16.5603 -16.2901 -16.2901 -10.8488 -10.8488 -10.7945 -10.7945 -10.6807 -10.6807 -10.4034 -10.4034 -5.5973 -5.5973 -4.7198 -4.7198 -4.1004 -4.1004 -3.9616 -3.9616 -3.8812 -3.8812 -3.1854 -3.1854 -2.4545 -2.4545 -2.3600 -2.3600 -1.9862 -1.9862 -1.8878 -1.8878 -1.7694 -1.7694 -1.0420 -1.0420 -0.5195 -0.5195 0.1784 0.1784 0.8963 0.8963 0.9378 0.9378 1.4018 1.4018 1.5635 1.5635 1.6159 1.6159 1.7597 1.7597 1.9412 1.9412 6.4954 6.4954 9.2389 9.2389 9.3554 9.3554 9.6566 9.6566 9.8123 9.8123 k = 0.0341-0.0043 0.0450 ( 5048 PWs) bands (ev): -16.5617 -16.5617 -16.2903 -16.2903 -10.8397 -10.8397 -10.7956 -10.7956 -10.6855 -10.6855 -10.4044 -10.4044 -5.6012 -5.6012 -4.7178 -4.7178 -4.1003 -4.1003 -3.9629 -3.9629 -3.8723 -3.8723 -3.1794 -3.1794 -2.4596 -2.4596 -2.3616 -2.3616 -1.9887 -1.9887 -1.8874 -1.8874 -1.7690 -1.7690 -1.0062 -1.0062 -0.5540 -0.5540 0.1792 0.1792 0.8876 0.8876 0.9442 0.9442 1.3889 1.3889 1.5692 1.5692 1.6159 1.6159 1.7754 1.7754 1.9304 1.9304 6.4862 6.4862 9.2611 9.2611 9.3777 9.3777 9.6569 9.6569 9.7942 9.7942 k = 0.0227-0.0029 0.0300 ( 5049 PWs) bands (ev): -16.5627 -16.5627 -16.2905 -16.2905 -10.8316 -10.8316 -10.7979 -10.7979 -10.6891 -10.6891 -10.4052 -10.4052 -5.6041 -5.6041 -4.7164 -4.7164 -4.1002 -4.1002 -3.9638 -3.9638 -3.8658 -3.8658 -3.1751 -3.1751 -2.4634 -2.4634 -2.3628 -2.3628 -1.9905 -1.9905 -1.8870 -1.8870 -1.7687 -1.7687 -0.9766 -0.9766 -0.5825 -0.5825 0.1796 0.1796 0.8808 0.8808 0.9496 0.9496 1.3789 1.3789 1.5733 1.5733 1.6161 1.6161 1.7884 1.7884 1.9211 1.9211 6.4797 6.4797 9.2792 9.2792 9.3942 9.3942 9.6554 9.6554 9.7780 9.7780 k = 0.0114-0.0014 0.0150 ( 5046 PWs) bands (ev): -16.5633 -16.5633 -16.2907 -16.2907 -10.8252 -10.8252 -10.8006 -10.8006 -10.6912 -10.6912 -10.4057 -10.4057 -5.6058 -5.6058 -4.7156 -4.7156 -4.1002 -4.1002 -3.9644 -3.9644 -3.8618 -3.8618 -3.1725 -3.1725 -2.4657 -2.4657 -2.3635 -2.3635 -1.9916 -1.9916 -1.8868 -1.8868 -1.7686 -1.7686 -0.9565 -0.9565 -0.6019 -0.6019 0.1799 0.1799 0.8766 0.8766 0.9532 0.9532 1.3726 1.3726 1.5758 1.5758 1.6162 1.6162 1.7973 1.7973 1.9145 1.9145 6.4757 6.4757 9.2913 9.2913 9.4041 9.4041 9.6538 9.6538 9.7674 9.7674 k = 0.0000 0.0000 0.0000 ( 5057 PWs) bands (ev): -16.5635 -16.5635 -16.2907 -16.2907 -10.8225 -10.8225 -10.8021 -10.8021 -10.6919 -10.6919 -10.4058 -10.4058 -5.6064 -5.6064 -4.7153 -4.7153 -4.1002 -4.1002 -3.9647 -3.9647 -3.8605 -3.8605 -3.1716 -3.1716 -2.4665 -2.4665 -2.3638 -2.3638 -1.9920 -1.9920 -1.8868 -1.8868 -1.7685 -1.7685 -0.9493 -0.9493 -0.6089 -0.6089 0.1800 0.1800 0.8752 0.8752 0.9544 0.9544 1.3704 1.3704 1.5766 1.5766 1.6162 1.6162 1.8005 1.8005 1.9120 1.9120 6.4744 6.4744 9.2956 9.2956 9.4074 9.4074 9.6532 9.6532 9.7636 9.7636 Writing output data file ZnH8xN2Clx2.save init_run : 0.48s CPU 0.87s WALL ( 1 calls) electrons : 181.45s CPU 184.87s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.09s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 181.44s CPU 184.86s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.08s CPU 0.13s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.09s WALL ( 270 calls) cegterg : 167.70s CPU 169.88s WALL ( 499 calls) Called by sum_band: Called by *egterg: h_psi : 86.41s CPU 87.90s WALL ( 6959 calls) s_psi : 6.57s CPU 6.57s WALL ( 6959 calls) g_psi : 0.26s CPU 0.29s WALL ( 6190 calls) cdiaghg : 63.24s CPU 64.19s WALL ( 6460 calls) cegterg:over : 8.15s CPU 8.30s WALL ( 6190 calls) cegterg:upda : 7.20s CPU 7.10s WALL ( 6190 calls) cegterg:last : 3.31s CPU 3.32s WALL ( 1039 calls) cdiaghg:chol : 3.66s CPU 3.68s WALL ( 6460 calls) cdiaghg:inve : 2.59s CPU 2.58s WALL ( 6460 calls) cdiaghg:para : 4.21s CPU 4.27s WALL ( 12920 calls) Called by h_psi: h_psi:vloc : 70.98s CPU 72.30s WALL ( 6959 calls) h_psi:vnl : 15.04s CPU 15.25s WALL ( 6959 calls) add_vuspsi : 7.52s CPU 7.69s WALL ( 6959 calls) General routines calbec : 7.48s CPU 7.54s WALL ( 6959 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 64.45s CPU 65.62s WALL ( 852104 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.22s CPU 0.24s WALL ( 540 calls) Parallel routines fft_scatter : 25.13s CPU 25.76s WALL ( 852127 calls) PWSCF : 3m19.49s CPU 3m44.73s WALL This run was terminated on: 16:52: 3 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=