Program PWSCF v.5.1.1 starts on 24Oct2015 at 0:48:22 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Al2ZnTe4.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: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 82 53 15 2296 1194 179 Max 83 54 16 2299 1222 182 Sum 3945 2577 721 110253 58013 8713 bravais-lattice index = 14 lattice parameter (alat) = 13.8609 a.u. unit-cell volume = 1423.0163 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 3 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 45.0000 Ry charge density cutoff = 276.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.860873 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.674731 celldm(5)= -0.674731 celldm(6)= 0.349462 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.349462 0.936951 0.000000 ) a(3) = ( -0.674731 -0.468475 0.570324 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.372978 0.876695 ) b(2) = ( 0.000000 1.067292 0.876695 ) b(3) = ( 0.000000 0.000000 1.753390 ) PseudoPot. # 1 for Te read from file: /home/autes/Pseudo/Te_MT_PBE.UPF MD5 check sum: 58ccb0a2ae5f507b1c31ab9daa3b9941 Pseudo is Norm-conserving, Zval = 6.0 Generated using "atomic" code by A. Dal Corso (espresso distribution) Using radial grid of 1245 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for Al read from file: /home/autes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Zn read from file: /home/autes/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 atomic species valence mass pseudopotential Te 6.00 127.60000 Te( 1.00) Al 3.00 26.98150 Al( 1.00) Zn 12.00 65.40900 Zn( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 262 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038168 k( 2) = ( 0.0000000 0.0000000 0.0230709), wk = 0.0038168 k( 3) = ( 0.0000000 0.0000000 0.0461418), wk = 0.0038168 k( 4) = ( 0.0000000 0.0000000 0.0692128), wk = 0.0038168 k( 5) = ( 0.0000000 0.0000000 0.0922837), wk = 0.0038168 k( 6) = ( 0.0000000 0.0000000 0.1153546), wk = 0.0038168 k( 7) = ( 0.0000000 0.0000000 0.1384255), wk = 0.0038168 k( 8) = ( 0.0000000 0.0000000 0.1614965), wk = 0.0038168 k( 9) = ( 0.0000000 0.0000000 0.1845674), wk = 0.0038168 k( 10) = ( 0.0000000 0.0000000 0.2076383), wk = 0.0038168 k( 11) = ( 0.0000000 0.0000000 0.2307092), wk = 0.0038168 k( 12) = ( 0.0000000 0.0000000 0.2537802), wk = 0.0038168 k( 13) = ( 0.0000000 0.0000000 0.2768511), wk = 0.0038168 k( 14) = ( 0.0000000 0.0000000 0.2999220), wk = 0.0038168 k( 15) = ( 0.0000000 0.0000000 0.3229929), wk = 0.0038168 k( 16) = ( 0.0000000 0.0000000 0.3460639), wk = 0.0038168 k( 17) = ( 0.0000000 0.0000000 0.3691348), wk = 0.0038168 k( 18) = ( 0.0000000 0.0000000 0.3922057), wk = 0.0038168 k( 19) = ( 0.0000000 0.0000000 0.4152766), wk = 0.0038168 k( 20) = ( 0.0000000 0.0000000 0.4383476), wk = 0.0038168 k( 21) = ( 0.0000000 0.0000000 0.4614185), wk = 0.0038168 k( 22) = ( 0.0000000 0.0000000 0.4844894), wk = 0.0038168 k( 23) = ( 0.0000000 0.0000000 0.5075603), wk = 0.0038168 k( 24) = ( 0.0000000 0.0000000 0.5306313), wk = 0.0038168 k( 25) = ( 0.0000000 0.0000000 0.5537022), wk = 0.0038168 k( 26) = ( 0.0000000 0.0000000 0.5767731), wk = 0.0038168 k( 27) = ( 0.0000000 0.0000000 0.5998440), wk = 0.0038168 k( 28) = ( 0.0000000 0.0000000 0.6229150), wk = 0.0038168 k( 29) = ( 0.0000000 0.0000000 0.6459859), wk = 0.0038168 k( 30) = ( 0.0000000 0.0000000 0.6690568), wk = 0.0038168 k( 31) = ( 0.0000000 0.0000000 0.6921277), wk = 0.0038168 k( 32) = ( 0.0000000 0.0000000 0.7151987), wk = 0.0038168 k( 33) = ( 0.0000000 0.0000000 0.7382696), wk = 0.0038168 k( 34) = ( 0.0000000 0.0000000 0.7613405), wk = 0.0038168 k( 35) = ( 0.0000000 0.0000000 0.7844114), wk = 0.0038168 k( 36) = ( 0.0000000 0.0000000 0.8074824), wk = 0.0038168 k( 37) = ( 0.0000000 0.0000000 0.8305533), wk = 0.0038168 k( 38) = ( 0.0000000 0.0000000 0.8536242), wk = 0.0038168 k( 39) = ( 0.0000000 0.0000000 0.8766951), wk = 0.0038168 k( 40) = ( 0.0000000 0.0000000 0.8766951), wk = 0.0038168 k( 41) = ( -0.0120518 0.0173579 0.8766951), wk = 0.0038168 k( 42) = ( -0.0241036 0.0347157 0.8766951), wk = 0.0038168 k( 43) = ( -0.0361554 0.0520736 0.8766951), wk = 0.0038168 k( 44) = ( -0.0482072 0.0694314 0.8766951), wk = 0.0038168 k( 45) = ( -0.0602591 0.0867893 0.8766951), wk = 0.0038168 k( 46) = ( -0.0723108 0.1041471 0.8766951), wk = 0.0038168 k( 47) = ( -0.0843627 0.1215050 0.8766951), wk = 0.0038168 k( 48) = ( -0.0964145 0.1388629 0.8766951), wk = 0.0038168 k( 49) = ( -0.1084663 0.1562207 0.8766951), wk = 0.0038168 k( 50) = ( -0.1205181 0.1735786 0.8766951), wk = 0.0038168 k( 51) = ( -0.1205181 0.1735786 0.8766951), wk = 0.0038168 k( 52) = ( -0.1295534 0.1865918 0.8608528), wk = 0.0038168 k( 53) = ( -0.1385887 0.1996051 0.8450104), wk = 0.0038168 k( 54) = ( -0.1476239 0.2126183 0.8291680), wk = 0.0038168 k( 55) = ( -0.1566592 0.2256316 0.8133256), wk = 0.0038168 k( 56) = ( -0.1656945 0.2386448 0.7974832), wk = 0.0038168 k( 57) = ( -0.1747298 0.2516581 0.7816409), wk = 0.0038168 k( 58) = ( -0.1837651 0.2646713 0.7657985), wk = 0.0038168 k( 59) = ( -0.1928004 0.2776846 0.7499561), wk = 0.0038168 k( 60) = ( -0.2018356 0.2906978 0.7341137), wk = 0.0038168 k( 61) = ( -0.2108709 0.3037111 0.7182713), wk = 0.0038168 k( 62) = ( -0.2199062 0.3167243 0.7024290), wk = 0.0038168 k( 63) = ( -0.2289415 0.3297375 0.6865866), wk = 0.0038168 k( 64) = ( -0.2379768 0.3427508 0.6707442), wk = 0.0038168 k( 65) = ( -0.2470121 0.3557640 0.6549018), wk = 0.0038168 k( 66) = ( -0.2560473 0.3687773 0.6390595), wk = 0.0038168 k( 67) = ( -0.2650826 0.3817905 0.6232171), wk = 0.0038168 k( 68) = ( -0.2741179 0.3948038 0.6073747), wk = 0.0038168 k( 69) = ( -0.2831532 0.4078170 0.5915323), wk = 0.0038168 k( 70) = ( -0.2921885 0.4208303 0.5756899), wk = 0.0038168 k( 71) = ( -0.3012238 0.4338435 0.5598476), wk = 0.0038168 k( 72) = ( -0.3102590 0.4468568 0.5440052), wk = 0.0038168 k( 73) = ( -0.3102590 0.4468568 0.5440052), wk = 0.0038168 k( 74) = ( -0.3008573 0.4333157 0.5275202), wk = 0.0038168 k( 75) = ( -0.2914555 0.4197745 0.5110352), wk = 0.0038168 k( 76) = ( -0.2820537 0.4062334 0.4945502), wk = 0.0038168 k( 77) = ( -0.2726519 0.3926923 0.4780652), wk = 0.0038168 k( 78) = ( -0.2632501 0.3791512 0.4615802), wk = 0.0038168 k( 79) = ( -0.2538483 0.3656101 0.4450952), wk = 0.0038168 k( 80) = ( -0.2444465 0.3520690 0.4286101), wk = 0.0038168 k( 81) = ( -0.2350447 0.3385278 0.4121251), wk = 0.0038168 k( 82) = ( -0.2256429 0.3249867 0.3956401), wk = 0.0038168 k( 83) = ( -0.2162411 0.3114456 0.3791551), wk = 0.0038168 k( 84) = ( -0.2068394 0.2979045 0.3626701), wk = 0.0038168 k( 85) = ( -0.1974376 0.2843634 0.3461851), wk = 0.0038168 k( 86) = ( -0.1880358 0.2708223 0.3297001), wk = 0.0038168 k( 87) = ( -0.1786340 0.2572812 0.3132151), wk = 0.0038168 k( 88) = ( -0.1692322 0.2437401 0.2967301), wk = 0.0038168 k( 89) = ( -0.1598304 0.2301989 0.2802451), wk = 0.0038168 k( 90) = ( -0.1504286 0.2166578 0.2637601), wk = 0.0038168 k( 91) = ( -0.1410268 0.2031167 0.2472751), wk = 0.0038168 k( 92) = ( -0.1316250 0.1895756 0.2307901), wk = 0.0038168 k( 93) = ( -0.1222233 0.1760345 0.2143051), wk = 0.0038168 k( 94) = ( -0.1128215 0.1624934 0.1978201), wk = 0.0038168 k( 95) = ( -0.1034197 0.1489523 0.1813351), wk = 0.0038168 k( 96) = ( -0.0940179 0.1354111 0.1648501), wk = 0.0038168 k( 97) = ( -0.0846161 0.1218700 0.1483650), wk = 0.0038168 k( 98) = ( -0.0752143 0.1083289 0.1318800), wk = 0.0038168 k( 99) = ( -0.0658125 0.0947878 0.1153950), wk = 0.0038168 k( 100) = ( -0.0564107 0.0812467 0.0989100), wk = 0.0038168 k( 101) = ( -0.0470090 0.0677056 0.0824250), wk = 0.0038168 k( 102) = ( -0.0376072 0.0541645 0.0659400), wk = 0.0038168 k( 103) = ( -0.0282054 0.0406233 0.0494550), wk = 0.0038168 k( 104) = ( -0.0188036 0.0270822 0.0329700), wk = 0.0038168 k( 105) = ( -0.0094018 0.0135411 0.0164850), wk = 0.0038168 k( 106) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038168 k( 107) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038168 k( 108) = ( 0.0185185 0.0128577 -0.0000000), wk = 0.0038168 k( 109) = ( 0.0370370 0.0257153 -0.0000000), wk = 0.0038168 k( 110) = ( 0.0555556 0.0385730 -0.0000000), wk = 0.0038168 k( 111) = ( 0.0740741 0.0514307 -0.0000000), wk = 0.0038168 k( 112) = ( 0.0925926 0.0642884 -0.0000000), wk = 0.0038168 k( 113) = ( 0.1111111 0.0771460 -0.0000000), wk = 0.0038168 k( 114) = ( 0.1296296 0.0900037 -0.0000000), wk = 0.0038168 k( 115) = ( 0.1481482 0.1028614 -0.0000000), wk = 0.0038168 k( 116) = ( 0.1666667 0.1157191 -0.0000000), wk = 0.0038168 k( 117) = ( 0.1851852 0.1285767 -0.0000000), wk = 0.0038168 k( 118) = ( 0.2037037 0.1414344 -0.0000000), wk = 0.0038168 k( 119) = ( 0.2222222 0.1542921 -0.0000000), wk = 0.0038168 k( 120) = ( 0.2407407 0.1671497 -0.0000000), wk = 0.0038168 k( 121) = ( 0.2592593 0.1800074 -0.0000000), wk = 0.0038168 k( 122) = ( 0.2777778 0.1928651 -0.0000000), wk = 0.0038168 k( 123) = ( 0.2962963 0.2057228 -0.0000000), wk = 0.0038168 k( 124) = ( 0.3148148 0.2185804 -0.0000000), wk = 0.0038168 k( 125) = ( 0.3333333 0.2314381 -0.0000000), wk = 0.0038168 k( 126) = ( 0.3518519 0.2442958 -0.0000000), wk = 0.0038168 k( 127) = ( 0.3703704 0.2571534 -0.0000000), wk = 0.0038168 k( 128) = ( 0.3888889 0.2700111 -0.0000000), wk = 0.0038168 k( 129) = ( 0.4074074 0.2828688 -0.0000000), wk = 0.0038168 k( 130) = ( 0.4259259 0.2957265 -0.0000000), wk = 0.0038168 k( 131) = ( 0.4444444 0.3085841 -0.0000000), wk = 0.0038168 k( 132) = ( 0.4629630 0.3214418 -0.0000000), wk = 0.0038168 k( 133) = ( 0.4814815 0.3342995 -0.0000000), wk = 0.0038168 k( 134) = ( 0.5000000 0.3471572 -0.0000000), wk = 0.0038168 k( 135) = ( 0.5000000 0.3471572 -0.0000000), wk = 0.0038168 k( 136) = ( 0.4909647 0.3601704 0.0158424), wk = 0.0038168 k( 137) = ( 0.4819294 0.3731837 0.0316848), wk = 0.0038168 k( 138) = ( 0.4728942 0.3861969 0.0475271), wk = 0.0038168 k( 139) = ( 0.4638589 0.3992101 0.0633695), wk = 0.0038168 k( 140) = ( 0.4548236 0.4122234 0.0792119), wk = 0.0038168 k( 141) = ( 0.4457883 0.4252366 0.0950543), wk = 0.0038168 k( 142) = ( 0.4367530 0.4382499 0.1108966), wk = 0.0038168 k( 143) = ( 0.4277177 0.4512631 0.1267390), wk = 0.0038168 k( 144) = ( 0.4186824 0.4642764 0.1425814), wk = 0.0038168 k( 145) = ( 0.4096472 0.4772896 0.1584238), wk = 0.0038168 k( 146) = ( 0.4006119 0.4903029 0.1742662), wk = 0.0038168 k( 147) = ( 0.3915766 0.5033161 0.1901085), wk = 0.0038168 k( 148) = ( 0.3825413 0.5163294 0.2059509), wk = 0.0038168 k( 149) = ( 0.3735060 0.5293426 0.2217933), wk = 0.0038168 k( 150) = ( 0.3644708 0.5423559 0.2376357), wk = 0.0038168 k( 151) = ( 0.3554355 0.5553691 0.2534781), wk = 0.0038168 k( 152) = ( 0.3464002 0.5683824 0.2693204), wk = 0.0038168 k( 153) = ( 0.3373649 0.5813956 0.2851628), wk = 0.0038168 k( 154) = ( 0.3283296 0.5944088 0.3010052), wk = 0.0038168 k( 155) = ( 0.3192943 0.6074221 0.3168476), wk = 0.0038168 k( 156) = ( 0.3102590 0.6204353 0.3326899), wk = 0.0038168 k( 157) = ( 0.3102590 0.6204353 0.3326899), wk = 0.0038168 k( 158) = ( 0.2895751 0.6146494 0.3397338), wk = 0.0038168 k( 159) = ( 0.2688912 0.6088634 0.3467776), wk = 0.0038168 k( 160) = ( 0.2482072 0.6030775 0.3538215), wk = 0.0038168 k( 161) = ( 0.2275233 0.5972915 0.3608653), wk = 0.0038168 k( 162) = ( 0.2068394 0.5915056 0.3679092), wk = 0.0038168 k( 163) = ( 0.1861554 0.5857196 0.3749530), wk = 0.0038168 k( 164) = ( 0.1654715 0.5799337 0.3819968), wk = 0.0038168 k( 165) = ( 0.1447875 0.5741477 0.3890407), wk = 0.0038168 k( 166) = ( 0.1241036 0.5683618 0.3960845), wk = 0.0038168 k( 167) = ( 0.1034197 0.5625758 0.4031284), wk = 0.0038168 k( 168) = ( 0.0827357 0.5567899 0.4101722), wk = 0.0038168 k( 169) = ( 0.0620518 0.5510039 0.4172160), wk = 0.0038168 k( 170) = ( 0.0413679 0.5452180 0.4242599), wk = 0.0038168 k( 171) = ( 0.0206839 0.5394320 0.4313037), wk = 0.0038168 k( 172) = ( 0.0000000 0.5336461 0.4383476), wk = 0.0038168 k( 173) = ( 0.0000000 0.5336461 0.4383476), wk = 0.0038168 k( 174) = ( 0.0092593 0.5203102 0.4545827), wk = 0.0038168 k( 175) = ( 0.0185185 0.5069744 0.4708178), wk = 0.0038168 k( 176) = ( 0.0277778 0.4936386 0.4870529), wk = 0.0038168 k( 177) = ( 0.0370370 0.4803027 0.5032879), wk = 0.0038168 k( 178) = ( 0.0462963 0.4669669 0.5195230), wk = 0.0038168 k( 179) = ( 0.0555556 0.4536311 0.5357581), wk = 0.0038168 k( 180) = ( 0.0648148 0.4402952 0.5519932), wk = 0.0038168 k( 181) = ( 0.0740741 0.4269594 0.5682283), wk = 0.0038168 k( 182) = ( 0.0833333 0.4136236 0.5844634), wk = 0.0038168 k( 183) = ( 0.0925926 0.4002877 0.6006985), wk = 0.0038168 k( 184) = ( 0.1018518 0.3869519 0.6169336), wk = 0.0038168 k( 185) = ( 0.1111111 0.3736161 0.6331687), wk = 0.0038168 k( 186) = ( 0.1203704 0.3602802 0.6494038), wk = 0.0038168 k( 187) = ( 0.1296296 0.3469444 0.6656389), wk = 0.0038168 k( 188) = ( 0.1388889 0.3336086 0.6818740), wk = 0.0038168 k( 189) = ( 0.1481482 0.3202727 0.6981091), wk = 0.0038168 k( 190) = ( 0.1574074 0.3069369 0.7143442), wk = 0.0038168 k( 191) = ( 0.1666667 0.2936011 0.7305793), wk = 0.0038168 k( 192) = ( 0.1759259 0.2802652 0.7468144), wk = 0.0038168 k( 193) = ( 0.1851852 0.2669294 0.7630495), wk = 0.0038168 k( 194) = ( 0.1944444 0.2535936 0.7792845), wk = 0.0038168 k( 195) = ( 0.2037037 0.2402577 0.7955196), wk = 0.0038168 k( 196) = ( 0.2129630 0.2269219 0.8117547), wk = 0.0038168 k( 197) = ( 0.2222222 0.2135861 0.8279898), wk = 0.0038168 k( 198) = ( 0.2314815 0.2002502 0.8442249), wk = 0.0038168 k( 199) = ( 0.2407407 0.1869144 0.8604600), wk = 0.0038168 k( 200) = ( 0.2500000 0.1735786 0.8766951), wk = 0.0038168 k( 201) = ( 0.2500000 0.1735786 0.8766951), wk = 0.0038168 k( 202) = ( 0.2656250 0.1844272 0.8634879), wk = 0.0038168 k( 203) = ( 0.2812500 0.1952759 0.8502807), wk = 0.0038168 k( 204) = ( 0.2968750 0.2061246 0.8370735), wk = 0.0038168 k( 205) = ( 0.3125000 0.2169732 0.8238663), wk = 0.0038168 k( 206) = ( 0.3281250 0.2278219 0.8106591), wk = 0.0038168 k( 207) = ( 0.3437500 0.2386705 0.7974519), wk = 0.0038168 k( 208) = ( 0.3593750 0.2495192 0.7842447), wk = 0.0038168 k( 209) = ( 0.3750000 0.2603679 0.7710375), wk = 0.0038168 k( 210) = ( 0.3906250 0.2712165 0.7578303), wk = 0.0038168 k( 211) = ( 0.4062500 0.2820652 0.7446231), wk = 0.0038168 k( 212) = ( 0.4218750 0.2929138 0.7314159), wk = 0.0038168 k( 213) = ( 0.4375000 0.3037625 0.7182087), wk = 0.0038168 k( 214) = ( 0.4531250 0.3146112 0.7050015), wk = 0.0038168 k( 215) = ( 0.4687500 0.3254598 0.6917943), wk = 0.0038168 k( 216) = ( 0.4843750 0.3363085 0.6785871), wk = 0.0038168 k( 217) = ( 0.5000000 0.3471572 0.6653799), wk = 0.0038168 k( 218) = ( 0.5000000 0.3471572 0.6653799), wk = 0.0038168 k( 219) = ( 0.5000000 0.3471572 0.6424358), wk = 0.0038168 k( 220) = ( 0.5000000 0.3471572 0.6194916), wk = 0.0038168 k( 221) = ( 0.5000000 0.3471572 0.5965475), wk = 0.0038168 k( 222) = ( 0.5000000 0.3471572 0.5736034), wk = 0.0038168 k( 223) = ( 0.5000000 0.3471572 0.5506592), wk = 0.0038168 k( 224) = ( 0.5000000 0.3471572 0.5277151), wk = 0.0038168 k( 225) = ( 0.5000000 0.3471572 0.5047709), wk = 0.0038168 k( 226) = ( 0.5000000 0.3471572 0.4818268), wk = 0.0038168 k( 227) = ( 0.5000000 0.3471572 0.4588827), wk = 0.0038168 k( 228) = ( 0.5000000 0.3471572 0.4359385), wk = 0.0038168 k( 229) = ( 0.5000000 0.3471572 0.4129944), wk = 0.0038168 k( 230) = ( 0.5000000 0.3471572 0.3900503), wk = 0.0038168 k( 231) = ( 0.5000000 0.3471572 0.3671061), wk = 0.0038168 k( 232) = ( 0.5000000 0.3471572 0.3441620), wk = 0.0038168 k( 233) = ( 0.5000000 0.3471572 0.3212179), wk = 0.0038168 k( 234) = ( 0.5000000 0.3471572 0.2982737), wk = 0.0038168 k( 235) = ( 0.5000000 0.3471572 0.2753296), wk = 0.0038168 k( 236) = ( 0.5000000 0.3471572 0.2523855), wk = 0.0038168 k( 237) = ( 0.5000000 0.3471572 0.2294413), wk = 0.0038168 k( 238) = ( 0.5000000 0.3471572 0.2064972), wk = 0.0038168 k( 239) = ( 0.5000000 0.3471572 0.1835531), wk = 0.0038168 k( 240) = ( 0.5000000 0.3471572 0.1606089), wk = 0.0038168 k( 241) = ( 0.5000000 0.3471572 0.1376648), wk = 0.0038168 k( 242) = ( 0.5000000 0.3471572 0.1147207), wk = 0.0038168 k( 243) = ( 0.5000000 0.3471572 0.0917765), wk = 0.0038168 k( 244) = ( 0.5000000 0.3471572 0.0688324), wk = 0.0038168 k( 245) = ( 0.5000000 0.3471572 0.0458883), wk = 0.0038168 k( 246) = ( 0.5000000 0.3471572 0.0229441), wk = 0.0038168 k( 247) = ( 0.5000000 0.3471572 -0.0000000), wk = 0.0038168 k( 248) = ( 0.0000000 0.0000000 0.8766951), wk = 0.0038168 k( 249) = ( 0.0178571 0.0123985 0.8766951), wk = 0.0038168 k( 250) = ( 0.0357143 0.0247969 0.8766951), wk = 0.0038168 k( 251) = ( 0.0535714 0.0371954 0.8766951), wk = 0.0038168 k( 252) = ( 0.0714286 0.0495939 0.8766951), wk = 0.0038168 k( 253) = ( 0.0892857 0.0619923 0.8766951), wk = 0.0038168 k( 254) = ( 0.1071429 0.0743908 0.8766951), wk = 0.0038168 k( 255) = ( 0.1250000 0.0867893 0.8766951), wk = 0.0038168 k( 256) = ( 0.1428571 0.0991878 0.8766951), wk = 0.0038168 k( 257) = ( 0.1607143 0.1115862 0.8766951), wk = 0.0038168 k( 258) = ( 0.1785714 0.1239847 0.8766951), wk = 0.0038168 k( 259) = ( 0.1964286 0.1363832 0.8766951), wk = 0.0038168 k( 260) = ( 0.2142857 0.1487816 0.8766951), wk = 0.0038168 k( 261) = ( 0.2321429 0.1611801 0.8766951), wk = 0.0038168 k( 262) = ( 0.2500000 0.1735786 0.8766951), wk = 0.0038168 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038168 k( 2) = ( 0.0000000 0.0000000 0.0131579), wk = 0.0038168 k( 3) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0038168 k( 4) = ( 0.0000000 0.0000000 0.0394737), wk = 0.0038168 k( 5) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0038168 k( 6) = ( 0.0000000 0.0000000 0.0657895), wk = 0.0038168 k( 7) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0038168 k( 8) = ( 0.0000000 0.0000000 0.0921053), wk = 0.0038168 k( 9) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0038168 k( 10) = ( 0.0000000 0.0000000 0.1184211), wk = 0.0038168 k( 11) = ( 0.0000000 0.0000000 0.1315790), wk = 0.0038168 k( 12) = ( 0.0000000 0.0000000 0.1447368), wk = 0.0038168 k( 13) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0038168 k( 14) = ( 0.0000000 0.0000000 0.1710526), wk = 0.0038168 k( 15) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0038168 k( 16) = ( 0.0000000 0.0000000 0.1973684), wk = 0.0038168 k( 17) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0038168 k( 18) = ( 0.0000000 0.0000000 0.2236842), wk = 0.0038168 k( 19) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0038168 k( 20) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0038168 k( 21) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0038168 k( 22) = ( 0.0000000 0.0000000 0.2763158), wk = 0.0038168 k( 23) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0038168 k( 24) = ( 0.0000000 0.0000000 0.3026316), wk = 0.0038168 k( 25) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0038168 k( 26) = ( 0.0000000 0.0000000 0.3289474), wk = 0.0038168 k( 27) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0038168 k( 28) = ( 0.0000000 0.0000000 0.3552632), wk = 0.0038168 k( 29) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0038168 k( 30) = ( 0.0000000 0.0000000 0.3815789), wk = 0.0038168 k( 31) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0038168 k( 32) = ( 0.0000000 0.0000000 0.4078947), wk = 0.0038168 k( 33) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0038168 k( 34) = ( 0.0000000 0.0000000 0.4342105), wk = 0.0038168 k( 35) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0038168 k( 36) = ( 0.0000000 0.0000000 0.4605263), wk = 0.0038168 k( 37) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0038168 k( 38) = ( 0.0000000 0.0000000 0.4868421), wk = 0.0038168 k( 39) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038168 k( 40) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038168 k( 41) = ( -0.0120518 0.0120518 0.5000000), wk = 0.0038168 k( 42) = ( -0.0241036 0.0241036 0.5000000), wk = 0.0038168 k( 43) = ( -0.0361554 0.0361554 0.5000000), wk = 0.0038168 k( 44) = ( -0.0482072 0.0482072 0.5000000), wk = 0.0038168 k( 45) = ( -0.0602591 0.0602591 0.5000000), wk = 0.0038168 k( 46) = ( -0.0723108 0.0723109 0.5000000), wk = 0.0038168 k( 47) = ( -0.0843627 0.0843627 0.5000000), wk = 0.0038168 k( 48) = ( -0.0964145 0.0964145 0.5000000), wk = 0.0038168 k( 49) = ( -0.1084663 0.1084663 0.5000000), wk = 0.0038168 k( 50) = ( -0.1205181 0.1205181 0.5000000), wk = 0.0038168 k( 51) = ( -0.1205181 0.1205181 0.5000000), wk = 0.0038168 k( 52) = ( -0.1295534 0.1295534 0.4909647), wk = 0.0038168 k( 53) = ( -0.1385887 0.1385887 0.4819294), wk = 0.0038168 k( 54) = ( -0.1476239 0.1476239 0.4728942), wk = 0.0038168 k( 55) = ( -0.1566592 0.1566592 0.4638589), wk = 0.0038168 k( 56) = ( -0.1656945 0.1656945 0.4548236), wk = 0.0038168 k( 57) = ( -0.1747298 0.1747298 0.4457883), wk = 0.0038168 k( 58) = ( -0.1837651 0.1837651 0.4367530), wk = 0.0038168 k( 59) = ( -0.1928004 0.1928004 0.4277177), wk = 0.0038168 k( 60) = ( -0.2018356 0.2018356 0.4186824), wk = 0.0038168 k( 61) = ( -0.2108709 0.2108709 0.4096472), wk = 0.0038168 k( 62) = ( -0.2199062 0.2199062 0.4006119), wk = 0.0038168 k( 63) = ( -0.2289415 0.2289415 0.3915766), wk = 0.0038168 k( 64) = ( -0.2379768 0.2379768 0.3825413), wk = 0.0038168 k( 65) = ( -0.2470121 0.2470121 0.3735060), wk = 0.0038168 k( 66) = ( -0.2560473 0.2560473 0.3644707), wk = 0.0038168 k( 67) = ( -0.2650826 0.2650826 0.3554355), wk = 0.0038168 k( 68) = ( -0.2741179 0.2741179 0.3464002), wk = 0.0038168 k( 69) = ( -0.2831532 0.2831532 0.3373649), wk = 0.0038168 k( 70) = ( -0.2921885 0.2921885 0.3283296), wk = 0.0038168 k( 71) = ( -0.3012238 0.3012238 0.3192943), wk = 0.0038168 k( 72) = ( -0.3102590 0.3102591 0.3102590), wk = 0.0038168 k( 73) = ( -0.3102590 0.3102591 0.3102590), wk = 0.0038168 k( 74) = ( -0.3008573 0.3008573 0.3008573), wk = 0.0038168 k( 75) = ( -0.2914555 0.2914555 0.2914555), wk = 0.0038168 k( 76) = ( -0.2820537 0.2820537 0.2820537), wk = 0.0038168 k( 77) = ( -0.2726519 0.2726519 0.2726519), wk = 0.0038168 k( 78) = ( -0.2632501 0.2632501 0.2632501), wk = 0.0038168 k( 79) = ( -0.2538483 0.2538483 0.2538483), wk = 0.0038168 k( 80) = ( -0.2444465 0.2444465 0.2444465), wk = 0.0038168 k( 81) = ( -0.2350447 0.2350447 0.2350447), wk = 0.0038168 k( 82) = ( -0.2256429 0.2256429 0.2256429), wk = 0.0038168 k( 83) = ( -0.2162411 0.2162411 0.2162412), wk = 0.0038168 k( 84) = ( -0.2068394 0.2068394 0.2068394), wk = 0.0038168 k( 85) = ( -0.1974376 0.1974376 0.1974376), wk = 0.0038168 k( 86) = ( -0.1880358 0.1880358 0.1880358), wk = 0.0038168 k( 87) = ( -0.1786340 0.1786340 0.1786340), wk = 0.0038168 k( 88) = ( -0.1692322 0.1692322 0.1692322), wk = 0.0038168 k( 89) = ( -0.1598304 0.1598304 0.1598304), wk = 0.0038168 k( 90) = ( -0.1504286 0.1504286 0.1504286), wk = 0.0038168 k( 91) = ( -0.1410268 0.1410268 0.1410268), wk = 0.0038168 k( 92) = ( -0.1316250 0.1316251 0.1316250), wk = 0.0038168 k( 93) = ( -0.1222233 0.1222233 0.1222233), wk = 0.0038168 k( 94) = ( -0.1128215 0.1128215 0.1128215), wk = 0.0038168 k( 95) = ( -0.1034197 0.1034197 0.1034197), wk = 0.0038168 k( 96) = ( -0.0940179 0.0940179 0.0940179), wk = 0.0038168 k( 97) = ( -0.0846161 0.0846161 0.0846161), wk = 0.0038168 k( 98) = ( -0.0752143 0.0752143 0.0752143), wk = 0.0038168 k( 99) = ( -0.0658125 0.0658125 0.0658125), wk = 0.0038168 k( 100) = ( -0.0564107 0.0564107 0.0564107), wk = 0.0038168 k( 101) = ( -0.0470090 0.0470090 0.0470090), wk = 0.0038168 k( 102) = ( -0.0376072 0.0376072 0.0376072), wk = 0.0038168 k( 103) = ( -0.0282054 0.0282054 0.0282054), wk = 0.0038168 k( 104) = ( -0.0188036 0.0188036 0.0188036), wk = 0.0038168 k( 105) = ( -0.0094018 0.0094018 0.0094018), wk = 0.0038168 k( 106) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038168 k( 107) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038168 k( 108) = ( 0.0185185 0.0185185 -0.0185185), wk = 0.0038168 k( 109) = ( 0.0370370 0.0370370 -0.0370370), wk = 0.0038168 k( 110) = ( 0.0555556 0.0555556 -0.0555556), wk = 0.0038168 k( 111) = ( 0.0740741 0.0740741 -0.0740741), wk = 0.0038168 k( 112) = ( 0.0925926 0.0925926 -0.0925926), wk = 0.0038168 k( 113) = ( 0.1111111 0.1111111 -0.1111111), wk = 0.0038168 k( 114) = ( 0.1296296 0.1296296 -0.1296296), wk = 0.0038168 k( 115) = ( 0.1481482 0.1481482 -0.1481482), wk = 0.0038168 k( 116) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0038168 k( 117) = ( 0.1851852 0.1851852 -0.1851852), wk = 0.0038168 k( 118) = ( 0.2037037 0.2037037 -0.2037037), wk = 0.0038168 k( 119) = ( 0.2222222 0.2222222 -0.2222222), wk = 0.0038168 k( 120) = ( 0.2407407 0.2407407 -0.2407407), wk = 0.0038168 k( 121) = ( 0.2592593 0.2592593 -0.2592593), wk = 0.0038168 k( 122) = ( 0.2777778 0.2777778 -0.2777778), wk = 0.0038168 k( 123) = ( 0.2962963 0.2962963 -0.2962963), wk = 0.0038168 k( 124) = ( 0.3148148 0.3148148 -0.3148148), wk = 0.0038168 k( 125) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0038168 k( 126) = ( 0.3518519 0.3518519 -0.3518518), wk = 0.0038168 k( 127) = ( 0.3703704 0.3703704 -0.3703704), wk = 0.0038168 k( 128) = ( 0.3888889 0.3888889 -0.3888889), wk = 0.0038168 k( 129) = ( 0.4074074 0.4074074 -0.4074074), wk = 0.0038168 k( 130) = ( 0.4259259 0.4259259 -0.4259259), wk = 0.0038168 k( 131) = ( 0.4444444 0.4444444 -0.4444444), wk = 0.0038168 k( 132) = ( 0.4629630 0.4629630 -0.4629630), wk = 0.0038168 k( 133) = ( 0.4814815 0.4814815 -0.4814815), wk = 0.0038168 k( 134) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0038168 k( 135) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0038168 k( 136) = ( 0.4909647 0.5090353 -0.4909647), wk = 0.0038168 k( 137) = ( 0.4819294 0.5180706 -0.4819294), wk = 0.0038168 k( 138) = ( 0.4728942 0.5271058 -0.4728941), wk = 0.0038168 k( 139) = ( 0.4638589 0.5361411 -0.4638589), wk = 0.0038168 k( 140) = ( 0.4548236 0.5451764 -0.4548236), wk = 0.0038168 k( 141) = ( 0.4457883 0.5542117 -0.4457883), wk = 0.0038168 k( 142) = ( 0.4367530 0.5632470 -0.4367530), wk = 0.0038168 k( 143) = ( 0.4277177 0.5722823 -0.4277177), wk = 0.0038168 k( 144) = ( 0.4186824 0.5813175 -0.4186824), wk = 0.0038168 k( 145) = ( 0.4096472 0.5903528 -0.4096472), wk = 0.0038168 k( 146) = ( 0.4006119 0.5993881 -0.4006119), wk = 0.0038168 k( 147) = ( 0.3915766 0.6084234 -0.3915766), wk = 0.0038168 k( 148) = ( 0.3825413 0.6174587 -0.3825413), wk = 0.0038168 k( 149) = ( 0.3735060 0.6264940 -0.3735060), wk = 0.0038168 k( 150) = ( 0.3644708 0.6355293 -0.3644708), wk = 0.0038168 k( 151) = ( 0.3554355 0.6445645 -0.3554355), wk = 0.0038168 k( 152) = ( 0.3464002 0.6535998 -0.3464002), wk = 0.0038168 k( 153) = ( 0.3373649 0.6626351 -0.3373649), wk = 0.0038168 k( 154) = ( 0.3283296 0.6716704 -0.3283296), wk = 0.0038168 k( 155) = ( 0.3192943 0.6807057 -0.3192943), wk = 0.0038168 k( 156) = ( 0.3102590 0.6897410 -0.3102590), wk = 0.0038168 k( 157) = ( 0.3102590 0.6897410 -0.3102590), wk = 0.0038168 k( 158) = ( 0.2895751 0.6770916 -0.2895751), wk = 0.0038168 k( 159) = ( 0.2688912 0.6644422 -0.2688912), wk = 0.0038168 k( 160) = ( 0.2482072 0.6517928 -0.2482072), wk = 0.0038168 k( 161) = ( 0.2275233 0.6391434 -0.2275233), wk = 0.0038168 k( 162) = ( 0.2068394 0.6264940 -0.2068394), wk = 0.0038168 k( 163) = ( 0.1861554 0.6138446 -0.1861554), wk = 0.0038168 k( 164) = ( 0.1654715 0.6011952 -0.1654715), wk = 0.0038168 k( 165) = ( 0.1447875 0.5885458 -0.1447876), wk = 0.0038168 k( 166) = ( 0.1241036 0.5758964 -0.1241036), wk = 0.0038168 k( 167) = ( 0.1034197 0.5632470 -0.1034197), wk = 0.0038168 k( 168) = ( 0.0827357 0.5505976 -0.0827357), wk = 0.0038168 k( 169) = ( 0.0620518 0.5379482 -0.0620518), wk = 0.0038168 k( 170) = ( 0.0413679 0.5252988 -0.0413679), wk = 0.0038168 k( 171) = ( 0.0206839 0.5126494 -0.0206839), wk = 0.0038168 k( 172) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0038168 k( 173) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0038168 k( 174) = ( 0.0092593 0.4907407 0.0092593), wk = 0.0038168 k( 175) = ( 0.0185185 0.4814815 0.0185185), wk = 0.0038168 k( 176) = ( 0.0277778 0.4722222 0.0277778), wk = 0.0038168 k( 177) = ( 0.0370370 0.4629630 0.0370370), wk = 0.0038168 k( 178) = ( 0.0462963 0.4537037 0.0462963), wk = 0.0038168 k( 179) = ( 0.0555556 0.4444444 0.0555556), wk = 0.0038168 k( 180) = ( 0.0648148 0.4351852 0.0648148), wk = 0.0038168 k( 181) = ( 0.0740741 0.4259259 0.0740741), wk = 0.0038168 k( 182) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0038168 k( 183) = ( 0.0925926 0.4074074 0.0925926), wk = 0.0038168 k( 184) = ( 0.1018518 0.3981481 0.1018519), wk = 0.0038168 k( 185) = ( 0.1111111 0.3888889 0.1111111), wk = 0.0038168 k( 186) = ( 0.1203704 0.3796296 0.1203704), wk = 0.0038168 k( 187) = ( 0.1296296 0.3703704 0.1296296), wk = 0.0038168 k( 188) = ( 0.1388889 0.3611111 0.1388889), wk = 0.0038168 k( 189) = ( 0.1481482 0.3518519 0.1481482), wk = 0.0038168 k( 190) = ( 0.1574074 0.3425926 0.1574074), wk = 0.0038168 k( 191) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0038168 k( 192) = ( 0.1759259 0.3240741 0.1759259), wk = 0.0038168 k( 193) = ( 0.1851852 0.3148148 0.1851852), wk = 0.0038168 k( 194) = ( 0.1944444 0.3055556 0.1944444), wk = 0.0038168 k( 195) = ( 0.2037037 0.2962963 0.2037037), wk = 0.0038168 k( 196) = ( 0.2129630 0.2870370 0.2129630), wk = 0.0038168 k( 197) = ( 0.2222222 0.2777778 0.2222222), wk = 0.0038168 k( 198) = ( 0.2314815 0.2685185 0.2314815), wk = 0.0038168 k( 199) = ( 0.2407407 0.2592593 0.2407407), wk = 0.0038168 k( 200) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0038168 k( 201) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0038168 k( 202) = ( 0.2656250 0.2656250 0.2268426), wk = 0.0038168 k( 203) = ( 0.2812500 0.2812500 0.2036852), wk = 0.0038168 k( 204) = ( 0.2968750 0.2968750 0.1805279), wk = 0.0038168 k( 205) = ( 0.3125000 0.3125000 0.1573705), wk = 0.0038168 k( 206) = ( 0.3281250 0.3281250 0.1342131), wk = 0.0038168 k( 207) = ( 0.3437500 0.3437500 0.1110557), wk = 0.0038168 k( 208) = ( 0.3593750 0.3593750 0.0878983), wk = 0.0038168 k( 209) = ( 0.3750000 0.3750000 0.0647410), wk = 0.0038168 k( 210) = ( 0.3906250 0.3906250 0.0415836), wk = 0.0038168 k( 211) = ( 0.4062500 0.4062500 0.0184262), wk = 0.0038168 k( 212) = ( 0.4218750 0.4218750 -0.0047312), wk = 0.0038168 k( 213) = ( 0.4375000 0.4375000 -0.0278886), wk = 0.0038168 k( 214) = ( 0.4531250 0.4531250 -0.0510459), wk = 0.0038168 k( 215) = ( 0.4687500 0.4687500 -0.0742033), wk = 0.0038168 k( 216) = ( 0.4843750 0.4843750 -0.0973607), wk = 0.0038168 k( 217) = ( 0.5000000 0.5000000 -0.1205181), wk = 0.0038168 k( 218) = ( 0.5000000 0.5000000 -0.1205181), wk = 0.0038168 k( 219) = ( 0.5000000 0.5000000 -0.1336037), wk = 0.0038168 k( 220) = ( 0.5000000 0.5000000 -0.1466893), wk = 0.0038168 k( 221) = ( 0.5000000 0.5000000 -0.1597748), wk = 0.0038168 k( 222) = ( 0.5000000 0.5000000 -0.1728604), wk = 0.0038168 k( 223) = ( 0.5000000 0.5000000 -0.1859460), wk = 0.0038168 k( 224) = ( 0.5000000 0.5000000 -0.1990316), wk = 0.0038168 k( 225) = ( 0.5000000 0.5000000 -0.2121172), wk = 0.0038168 k( 226) = ( 0.5000000 0.5000000 -0.2252028), wk = 0.0038168 k( 227) = ( 0.5000000 0.5000000 -0.2382883), wk = 0.0038168 k( 228) = ( 0.5000000 0.5000000 -0.2513739), wk = 0.0038168 k( 229) = ( 0.5000000 0.5000000 -0.2644595), wk = 0.0038168 k( 230) = ( 0.5000000 0.5000000 -0.2775451), wk = 0.0038168 k( 231) = ( 0.5000000 0.5000000 -0.2906307), wk = 0.0038168 k( 232) = ( 0.5000000 0.5000000 -0.3037162), wk = 0.0038168 k( 233) = ( 0.5000000 0.5000000 -0.3168018), wk = 0.0038168 k( 234) = ( 0.5000000 0.5000000 -0.3298874), wk = 0.0038168 k( 235) = ( 0.5000000 0.5000000 -0.3429730), wk = 0.0038168 k( 236) = ( 0.5000000 0.5000000 -0.3560586), wk = 0.0038168 k( 237) = ( 0.5000000 0.5000000 -0.3691442), wk = 0.0038168 k( 238) = ( 0.5000000 0.5000000 -0.3822297), wk = 0.0038168 k( 239) = ( 0.5000000 0.5000000 -0.3953153), wk = 0.0038168 k( 240) = ( 0.5000000 0.5000000 -0.4084009), wk = 0.0038168 k( 241) = ( 0.5000000 0.5000000 -0.4214865), wk = 0.0038168 k( 242) = ( 0.5000000 0.5000000 -0.4345721), wk = 0.0038168 k( 243) = ( 0.5000000 0.5000000 -0.4476577), wk = 0.0038168 k( 244) = ( 0.5000000 0.5000000 -0.4607432), wk = 0.0038168 k( 245) = ( 0.5000000 0.5000000 -0.4738288), wk = 0.0038168 k( 246) = ( 0.5000000 0.5000000 -0.4869144), wk = 0.0038168 k( 247) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0038168 k( 248) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038168 k( 249) = ( 0.0178571 0.0178571 0.4821429), wk = 0.0038168 k( 250) = ( 0.0357143 0.0357143 0.4642857), wk = 0.0038168 k( 251) = ( 0.0535714 0.0535714 0.4464286), wk = 0.0038168 k( 252) = ( 0.0714286 0.0714286 0.4285714), wk = 0.0038168 k( 253) = ( 0.0892857 0.0892857 0.4107143), wk = 0.0038168 k( 254) = ( 0.1071429 0.1071429 0.3928571), wk = 0.0038168 k( 255) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0038168 k( 256) = ( 0.1428571 0.1428571 0.3571429), wk = 0.0038168 k( 257) = ( 0.1607143 0.1607143 0.3392857), wk = 0.0038168 k( 258) = ( 0.1785714 0.1785714 0.3214286), wk = 0.0038168 k( 259) = ( 0.1964286 0.1964286 0.3035714), wk = 0.0038168 k( 260) = ( 0.2142857 0.2142857 0.2857143), wk = 0.0038168 k( 261) = ( 0.2321429 0.2321429 0.2678571), wk = 0.0038168 k( 262) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0038168 Dense grid: 110253 G-vectors FFT dimensions: ( 75, 75, 75) Smooth grid: 58013 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.23 Mb ( 308, 50) NL pseudopotentials 0.39 Mb ( 154, 166) Each V/rho on FFT grid 0.17 Mb ( 11250) Each G-vector array 0.02 Mb ( 2297) G-vector shells 0.01 Mb ( 1064) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.94 Mb ( 308, 200) Each subspace H/S matrix 0.61 Mb ( 200, 200) Each matrix 0.25 Mb ( 166, 2, 50) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./Al2ZnTe4.save/charge-density.dat Starting wfc are 66 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 45.4 secs Computing kpt #: 2 total cpu time spent up to now is 48.4 secs Computing kpt #: 3 total cpu time spent up to now is 51.1 secs Computing kpt #: 4 total cpu time spent up to now is 53.9 secs Computing kpt #: 5 total cpu time spent up to now is 56.8 secs Computing kpt #: 6 total cpu time spent up to now is 59.7 secs Computing kpt #: 7 total cpu time spent up to now is 62.5 secs Computing kpt #: 8 total cpu time spent up to now is 65.3 secs Computing kpt #: 9 total cpu time spent up to now is 68.1 secs Computing kpt #: 10 total cpu time spent up to now is 70.8 secs Computing kpt #: 11 total cpu time spent up to now is 73.8 secs Computing kpt #: 12 total cpu time spent up to now is 76.6 secs Computing kpt #: 13 total cpu time spent up to now is 79.6 secs Computing kpt #: 14 total cpu time spent up to now is 82.4 secs Computing kpt #: 15 total cpu time spent up to now is 85.5 secs Computing kpt #: 16 total cpu time spent up to now is 88.4 secs Computing kpt #: 17 total cpu time spent up to now is 91.8 secs Computing kpt #: 18 total cpu time spent up to now is 94.7 secs Computing kpt #: 19 total cpu time spent up to now is 97.4 secs Computing kpt #: 20 total cpu time spent up to now is 100.3 secs Computing kpt #: 21 total cpu time spent up to now is 103.0 secs Computing kpt #: 22 total cpu time spent up to now is 105.8 secs Computing kpt #: 23 total cpu time spent up to now is 108.6 secs Computing kpt #: 24 total cpu time spent up to now is 111.5 secs Computing kpt #: 25 total cpu time spent up to now is 114.3 secs Computing kpt #: 26 total cpu time spent up to now is 117.3 secs Computing kpt #: 27 total cpu time spent up to now is 120.1 secs Computing kpt #: 28 total cpu time spent up to now is 123.1 secs Computing kpt #: 29 total cpu time spent up to now is 126.3 secs Computing kpt #: 30 total cpu time spent up to now is 129.6 secs Computing kpt #: 31 total cpu time spent up to now is 132.6 secs Computing kpt #: 32 total cpu time spent up to now is 135.8 secs Computing kpt #: 33 total cpu time spent up to now is 140.0 secs Computing kpt #: 34 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 145.6 secs Computing kpt #: 35 total cpu time spent up to now is 150.9 secs Computing kpt #: 36 total cpu time spent up to now is 155.7 secs Computing kpt #: 37 total cpu time spent up to now is 159.8 secs Computing kpt #: 38 total cpu time spent up to now is 163.4 secs Computing kpt #: 39 total cpu time spent up to now is 166.9 secs Computing kpt #: 40 total cpu time spent up to now is 170.4 secs Computing kpt #: 41 total cpu time spent up to now is 174.2 secs Computing kpt #: 42 total cpu time spent up to now is 178.1 secs Computing kpt #: 43 total cpu time spent up to now is 182.0 secs Computing kpt #: 44 total cpu time spent up to now is 185.3 secs Computing kpt #: 45 total cpu time spent up to now is 188.6 secs Computing kpt #: 46 total cpu time spent up to now is 191.5 secs Computing kpt #: 47 total cpu time spent up to now is 196.8 secs Computing kpt #: 48 total cpu time spent up to now is 200.8 secs Computing kpt #: 49 total cpu time spent up to now is 203.7 secs Computing kpt #: 50 total cpu time spent up to now is 206.8 secs Computing kpt #: 51 total cpu time spent up to now is 209.6 secs Computing kpt #: 52 total cpu time spent up to now is 212.5 secs Computing kpt #: 53 total cpu time spent up to now is 215.2 secs Computing kpt #: 54 total cpu time spent up to now is 217.9 secs Computing kpt #: 55 total cpu time spent up to now is 220.7 secs Computing kpt #: 56 total cpu time spent up to now is 223.3 secs Computing kpt #: 57 total cpu time spent up to now is 226.0 secs Computing kpt #: 58 total cpu time spent up to now is 228.6 secs Computing kpt #: 59 total cpu time spent up to now is 231.3 secs Computing kpt #: 60 total cpu time spent up to now is 233.9 secs Computing kpt #: 61 total cpu time spent up to now is 236.5 secs Computing kpt #: 62 total cpu time spent up to now is 239.2 secs Computing kpt #: 63 total cpu time spent up to now is 241.9 secs Computing kpt #: 64 total cpu time spent up to now is 244.6 secs Computing kpt #: 65 total cpu time spent up to now is 247.4 secs Computing kpt #: 66 total cpu time spent up to now is 250.1 secs Computing kpt #: 67 total cpu time spent up to now is 252.9 secs Computing kpt #: 68 total cpu time spent up to now is 255.6 secs Computing kpt #: 69 total cpu time spent up to now is 258.3 secs Computing kpt #: 70 total cpu time spent up to now is 261.1 secs Computing kpt #: 71 total cpu time spent up to now is 263.8 secs Computing kpt #: 72 total cpu time spent up to now is 266.4 secs Computing kpt #: 73 total cpu time spent up to now is 269.0 secs Computing kpt #: 74 total cpu time spent up to now is 271.5 secs Computing kpt #: 75 total cpu time spent up to now is 274.1 secs Computing kpt #: 76 total cpu time spent up to now is 276.7 secs Computing kpt #: 77 total cpu time spent up to now is 279.3 secs Computing kpt #: 78 total cpu time spent up to now is 281.8 secs Computing kpt #: 79 total cpu time spent up to now is 284.3 secs Computing kpt #: 80 total cpu time spent up to now is 286.9 secs Computing kpt #: 81 total cpu time spent up to now is 289.5 secs Computing kpt #: 82 total cpu time spent up to now is 292.1 secs Computing kpt #: 83 total cpu time spent up to now is 294.7 secs Computing kpt #: 84 total cpu time spent up to now is 297.3 secs Computing kpt #: 85 total cpu time spent up to now is 300.0 secs Computing kpt #: 86 total cpu time spent up to now is 302.8 secs Computing kpt #: 87 total cpu time spent up to now is 305.7 secs Computing kpt #: 88 total cpu time spent up to now is 308.5 secs Computing kpt #: 89 total cpu time spent up to now is 311.4 secs Computing kpt #: 90 total cpu time spent up to now is 314.2 secs Computing kpt #: 91 total cpu time spent up to now is 317.1 secs Computing kpt #: 92 total cpu time spent up to now is 319.9 secs Computing kpt #: 93 total cpu time spent up to now is 322.7 secs Computing kpt #: 94 total cpu time spent up to now is 325.5 secs Computing kpt #: 95 total cpu time spent up to now is 328.4 secs Computing kpt #: 96 total cpu time spent up to now is 331.2 secs Computing kpt #: 97 total cpu time spent up to now is 334.2 secs Computing kpt #: 98 total cpu time spent up to now is 337.0 secs Computing kpt #: 99 total cpu time spent up to now is 340.0 secs Computing kpt #: 100 total cpu time spent up to now is 342.9 secs Computing kpt #: 101 total cpu time spent up to now is 345.8 secs Computing kpt #: 102 total cpu time spent up to now is 348.7 secs Computing kpt #: 103 total cpu time spent up to now is 351.7 secs Computing kpt #: 104 total cpu time spent up to now is 354.6 secs Computing kpt #: 105 total cpu time spent up to now is 357.5 secs Computing kpt #: 106 total cpu time spent up to now is 360.2 secs Computing kpt #: 107 total cpu time spent up to now is 363.0 secs Computing kpt #: 108 total cpu time spent up to now is 365.9 secs Computing kpt #: 109 total cpu time spent up to now is 368.6 secs Computing kpt #: 110 total cpu time spent up to now is 371.4 secs Computing kpt #: 111 total cpu time spent up to now is 374.3 secs Computing kpt #: 112 total cpu time spent up to now is 377.1 secs Computing kpt #: 113 total cpu time spent up to now is 380.0 secs Computing kpt #: 114 total cpu time spent up to now is 382.8 secs Computing kpt #: 115 total cpu time spent up to now is 385.5 secs Computing kpt #: 116 total cpu time spent up to now is 388.5 secs Computing kpt #: 117 total cpu time spent up to now is 391.4 secs Computing kpt #: 118 total cpu time spent up to now is 394.2 secs Computing kpt #: 119 total cpu time spent up to now is 397.0 secs Computing kpt #: 120 total cpu time spent up to now is 399.9 secs Computing kpt #: 121 total cpu time spent up to now is 402.7 secs Computing kpt #: 122 total cpu time spent up to now is 405.6 secs Computing kpt #: 123 total cpu time spent up to now is 408.3 secs Computing kpt #: 124 total cpu time spent up to now is 411.2 secs Computing kpt #: 125 total cpu time spent up to now is 414.0 secs Computing kpt #: 126 total cpu time spent up to now is 416.8 secs Computing kpt #: 127 total cpu time spent up to now is 419.5 secs Computing kpt #: 128 total cpu time spent up to now is 422.3 secs Computing kpt #: 129 total cpu time spent up to now is 424.9 secs Computing kpt #: 130 total cpu time spent up to now is 427.6 secs Computing kpt #: 131 total cpu time spent up to now is 430.3 secs Computing kpt #: 132 total cpu time spent up to now is 432.9 secs Computing kpt #: 133 total cpu time spent up to now is 435.4 secs Computing kpt #: 134 total cpu time spent up to now is 437.8 secs Computing kpt #: 135 total cpu time spent up to now is 440.3 secs Computing kpt #: 136 total cpu time spent up to now is 442.7 secs Computing kpt #: 137 total cpu time spent up to now is 445.2 secs Computing kpt #: 138 total cpu time spent up to now is 447.6 secs Computing kpt #: 139 total cpu time spent up to now is 450.0 secs Computing kpt #: 140 total cpu time spent up to now is 452.6 secs Computing kpt #: 141 total cpu time spent up to now is 455.3 secs Computing kpt #: 142 total cpu time spent up to now is 458.0 secs Computing kpt #: 143 total cpu time spent up to now is 460.7 secs Computing kpt #: 144 total cpu time spent up to now is 463.3 secs Computing kpt #: 145 total cpu time spent up to now is 466.2 secs Computing kpt #: 146 total cpu time spent up to now is 468.8 secs Computing kpt #: 147 total cpu time spent up to now is 471.5 secs Computing kpt #: 148 total cpu time spent up to now is 474.1 secs Computing kpt #: 149 total cpu time spent up to now is 476.8 secs Computing kpt #: 150 total cpu time spent up to now is 479.6 secs Computing kpt #: 151 total cpu time spent up to now is 482.2 secs Computing kpt #: 152 total cpu time spent up to now is 484.9 secs Computing kpt #: 153 total cpu time spent up to now is 487.6 secs Computing kpt #: 154 total cpu time spent up to now is 490.3 secs Computing kpt #: 155 total cpu time spent up to now is 493.7 secs Computing kpt #: 156 total cpu time spent up to now is 496.7 secs Computing kpt #: 157 total cpu time spent up to now is 499.3 secs Computing kpt #: 158 total cpu time spent up to now is 502.0 secs Computing kpt #: 159 total cpu time spent up to now is 504.6 secs Computing kpt #: 160 total cpu time spent up to now is 507.2 secs Computing kpt #: 161 total cpu time spent up to now is 509.8 secs Computing kpt #: 162 total cpu time spent up to now is 512.5 secs Computing kpt #: 163 total cpu time spent up to now is 515.2 secs Computing kpt #: 164 total cpu time spent up to now is 517.8 secs Computing kpt #: 165 total cpu time spent up to now is 520.5 secs Computing kpt #: 166 total cpu time spent up to now is 523.2 secs Computing kpt #: 167 total cpu time spent up to now is 525.9 secs Computing kpt #: 168 total cpu time spent up to now is 528.7 secs Computing kpt #: 169 total cpu time spent up to now is 531.6 secs Computing kpt #: 170 total cpu time spent up to now is 534.5 secs Computing kpt #: 171 total cpu time spent up to now is 537.3 secs Computing kpt #: 172 total cpu time spent up to now is 540.2 secs Computing kpt #: 173 total cpu time spent up to now is 543.0 secs Computing kpt #: 174 total cpu time spent up to now is 545.9 secs Computing kpt #: 175 total cpu time spent up to now is 548.8 secs Computing kpt #: 176 total cpu time spent up to now is 551.7 secs Computing kpt #: 177 total cpu time spent up to now is 554.6 secs Computing kpt #: 178 total cpu time spent up to now is 557.5 secs Computing kpt #: 179 total cpu time spent up to now is 560.4 secs Computing kpt #: 180 total cpu time spent up to now is 563.2 secs Computing kpt #: 181 total cpu time spent up to now is 566.0 secs Computing kpt #: 182 total cpu time spent up to now is 568.9 secs Computing kpt #: 183 total cpu time spent up to now is 571.7 secs Computing kpt #: 184 total cpu time spent up to now is 574.5 secs Computing kpt #: 185 total cpu time spent up to now is 577.2 secs Computing kpt #: 186 total cpu time spent up to now is 580.0 secs Computing kpt #: 187 total cpu time spent up to now is 582.8 secs Computing kpt #: 188 total cpu time spent up to now is 585.7 secs Computing kpt #: 189 total cpu time spent up to now is 588.4 secs Computing kpt #: 190 total cpu time spent up to now is 591.1 secs Computing kpt #: 191 total cpu time spent up to now is 593.8 secs Computing kpt #: 192 total cpu time spent up to now is 596.5 secs Computing kpt #: 193 total cpu time spent up to now is 599.3 secs Computing kpt #: 194 total cpu time spent up to now is 602.0 secs Computing kpt #: 195 total cpu time spent up to now is 604.8 secs Computing kpt #: 196 total cpu time spent up to now is 607.6 secs Computing kpt #: 197 total cpu time spent up to now is 610.5 secs Computing kpt #: 198 total cpu time spent up to now is 613.5 secs Computing kpt #: 199 total cpu time spent up to now is 616.4 secs Computing kpt #: 200 total cpu time spent up to now is 619.4 secs Computing kpt #: 201 total cpu time spent up to now is 622.4 secs Computing kpt #: 202 total cpu time spent up to now is 625.4 secs Computing kpt #: 203 total cpu time spent up to now is 628.7 secs Computing kpt #: 204 total cpu time spent up to now is 631.9 secs Computing kpt #: 205 total cpu time spent up to now is 634.9 secs Computing kpt #: 206 total cpu time spent up to now is 638.2 secs Computing kpt #: 207 total cpu time spent up to now is 641.1 secs Computing kpt #: 208 total cpu time spent up to now is 643.9 secs Computing kpt #: 209 total cpu time spent up to now is 646.8 secs Computing kpt #: 210 total cpu time spent up to now is 649.7 secs Computing kpt #: 211 total cpu time spent up to now is 652.6 secs Computing kpt #: 212 total cpu time spent up to now is 655.4 secs Computing kpt #: 213 total cpu time spent up to now is 658.3 secs Computing kpt #: 214 total cpu time spent up to now is 661.2 secs Computing kpt #: 215 total cpu time spent up to now is 664.1 secs Computing kpt #: 216 total cpu time spent up to now is 667.0 secs Computing kpt #: 217 total cpu time spent up to now is 670.0 secs Computing kpt #: 218 total cpu time spent up to now is 672.9 secs Computing kpt #: 219 total cpu time spent up to now is 675.9 secs Computing kpt #: 220 total cpu time spent up to now is 678.8 secs Computing kpt #: 221 total cpu time spent up to now is 681.6 secs Computing kpt #: 222 total cpu time spent up to now is 684.4 secs Computing kpt #: 223 total cpu time spent up to now is 687.2 secs Computing kpt #: 224 total cpu time spent up to now is 690.1 secs Computing kpt #: 225 total cpu time spent up to now is 692.8 secs Computing kpt #: 226 total cpu time spent up to now is 695.4 secs Computing kpt #: 227 total cpu time spent up to now is 698.1 secs Computing kpt #: 228 total cpu time spent up to now is 700.8 secs Computing kpt #: 229 total cpu time spent up to now is 703.5 secs Computing kpt #: 230 total cpu time spent up to now is 706.2 secs Computing kpt #: 231 total cpu time spent up to now is 709.0 secs Computing kpt #: 232 total cpu time spent up to now is 711.8 secs Computing kpt #: 233 total cpu time spent up to now is 714.6 secs Computing kpt #: 234 total cpu time spent up to now is 717.6 secs Computing kpt #: 235 total cpu time spent up to now is 720.3 secs Computing kpt #: 236 total cpu time spent up to now is 723.3 secs Computing kpt #: 237 total cpu time spent up to now is 726.1 secs Computing kpt #: 238 total cpu time spent up to now is 728.8 secs Computing kpt #: 239 total cpu time spent up to now is 731.5 secs Computing kpt #: 240 total cpu time spent up to now is 734.2 secs Computing kpt #: 241 total cpu time spent up to now is 736.9 secs Computing kpt #: 242 total cpu time spent up to now is 739.6 secs Computing kpt #: 243 total cpu time spent up to now is 742.1 secs Computing kpt #: 244 total cpu time spent up to now is 744.5 secs Computing kpt #: 245 total cpu time spent up to now is 746.9 secs Computing kpt #: 246 total cpu time spent up to now is 749.4 secs Computing kpt #: 247 total cpu time spent up to now is 751.8 secs Computing kpt #: 248 total cpu time spent up to now is 755.3 secs Computing kpt #: 249 total cpu time spent up to now is 759.0 secs Computing kpt #: 250 total cpu time spent up to now is 762.8 secs Computing kpt #: 251 total cpu time spent up to now is 766.5 secs Computing kpt #: 252 total cpu time spent up to now is 770.1 secs Computing kpt #: 253 total cpu time spent up to now is 773.4 secs Computing kpt #: 254 total cpu time spent up to now is 776.5 secs Computing kpt #: 255 total cpu time spent up to now is 779.8 secs Computing kpt #: 256 total cpu time spent up to now is 783.1 secs Computing kpt #: 257 total cpu time spent up to now is 786.0 secs Computing kpt #: 258 total cpu time spent up to now is 789.3 secs Computing kpt #: 259 total cpu time spent up to now is 792.6 secs Computing kpt #: 260 total cpu time spent up to now is 796.1 secs Computing kpt #: 261 total cpu time spent up to now is 799.6 secs Computing kpt #: 262 total cpu time spent up to now is 802.9 secs ethr = 2.38E-11, avg # of iterations = 31.5 total cpu time spent up to now is 803.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7213 PWs) bands (ev): -7.2818 -7.2818 -5.8014 -5.8014 -5.7404 -5.7404 -5.7404 -5.7404 -2.3102 -2.3102 -2.2902 -2.2902 -2.0085 -2.0085 -1.9690 -1.9690 -1.9495 -1.9495 -1.2645 -1.2645 -0.7100 -0.7100 1.0774 1.0774 1.3749 1.3749 1.5947 1.5947 1.8293 1.8293 1.8645 1.8645 2.7338 2.7338 2.9887 2.9887 3.9851 3.9851 4.7878 4.7878 4.8545 4.8545 6.3425 6.3425 6.7105 6.7105 7.5851 7.5851 8.5716 8.5716 k = 0.0000 0.0000 0.0231 ( 7213 PWs) bands (ev): -7.2809 -7.2809 -5.8013 -5.8013 -5.7415 -5.7413 -5.7411 -5.7410 -2.3116 -2.3088 -2.2904 -2.2900 -2.0109 -2.0060 -1.9704 -1.9678 -1.9506 -1.9485 -1.2649 -1.2629 -0.7136 -0.7042 1.0628 1.0882 1.3460 1.4043 1.5614 1.6269 1.8065 1.8489 1.8581 1.8848 2.7247 2.7416 2.9855 2.9877 3.9813 3.9833 4.7821 4.7847 4.8476 4.8487 6.3504 6.3547 6.7160 6.7161 7.5838 7.5949 8.5612 8.5696 k = 0.0000 0.0000 0.0461 ( 7225 PWs) bands (ev): -7.2782 -7.2781 -5.8011 -5.8011 -5.7444 -5.7442 -5.7433 -5.7430 -2.3132 -2.3077 -2.2906 -2.2898 -2.0133 -2.0037 -1.9719 -1.9668 -1.9517 -1.9476 -1.2640 -1.2600 -0.7148 -0.6962 1.0455 1.0946 1.3168 1.4341 1.5278 1.6578 1.7921 1.8392 1.8891 1.9095 2.7136 2.7482 2.9794 2.9825 3.9718 3.9761 4.7649 4.7699 4.8314 4.8342 6.3776 6.3848 6.7329 6.7337 7.5907 7.6127 8.5392 8.5631 k = 0.0000 0.0000 0.0692 ( 7223 PWs) bands (ev): -7.2736 -7.2735 -5.8009 -5.8008 -5.7493 -5.7490 -5.7467 -5.7463 -2.3149 -2.3069 -2.2908 -2.2896 -2.0156 -2.0014 -1.9735 -1.9661 -1.9528 -1.9469 -1.2619 -1.2559 -0.7140 -0.6863 1.0272 1.0969 1.2868 1.4562 1.5023 1.6865 1.7880 1.8358 1.9176 1.9388 2.7004 2.7536 2.9723 2.9741 3.9561 3.9636 4.7322 4.7367 4.8148 4.8183 6.4206 6.4281 6.7617 6.7645 7.6054 7.6380 8.5101 8.5508 k = 0.0000 0.0000 0.0923 ( 7223 PWs) bands (ev): -7.2672 -7.2671 -5.8005 -5.8004 -5.7560 -5.7556 -5.7515 -5.7509 -2.3165 -2.3064 -2.2909 -2.2893 -2.0177 -1.9993 -1.9751 -1.9658 -1.9536 -1.9464 -1.2586 -1.2506 -0.7112 -0.6748 1.0092 1.0958 1.2555 1.4389 1.5169 1.7113 1.7947 1.8398 1.9413 1.9705 2.6857 2.7576 2.9638 2.9671 3.9335 3.9461 4.6843 4.6852 4.8016 4.8043 6.4738 6.4780 6.8041 6.8106 7.6273 7.6700 8.4752 8.5312 k = 0.0000 0.0000 0.1154 ( 7229 PWs) bands (ev): -7.2590 -7.2589 -5.8001 -5.7999 -5.7645 -5.7639 -5.7575 -5.7568 -2.3181 -2.3062 -2.2910 -2.2889 -2.0196 -1.9974 -1.9768 -1.9658 -1.9540 -1.9460 -1.2543 -1.2443 -0.7070 -0.6623 0.9932 1.0920 1.2232 1.4047 1.5498 1.7308 1.8104 1.8525 1.9599 2.0002 2.6712 2.7597 2.9553 2.9646 3.9035 3.9237 4.6198 4.6278 4.7895 4.7913 6.5285 6.5306 6.8621 6.8733 7.6554 7.7081 8.4356 8.5039 k = 0.0000 0.0000 0.1384 ( 7241 PWs) bands (ev): -7.2490 -7.2489 -5.7997 -5.7995 -5.7747 -5.7740 -5.7646 -5.7639 -2.3198 -2.3065 -2.2912 -2.2883 -2.0213 -1.9959 -1.9785 -1.9663 -1.9541 -1.9457 -1.2489 -1.2369 -0.7017 -0.6493 0.9802 1.0864 1.1905 1.3705 1.5843 1.7463 1.8290 1.8752 1.9727 2.0254 2.6602 2.7601 2.9504 2.9662 3.8655 3.8967 4.5468 4.5659 4.7762 4.7788 6.5756 6.5853 6.9368 6.9515 7.6889 7.7517 8.3925 8.4700 k = 0.0000 0.0000 0.1615 ( 7241 PWs) bands (ev): -7.2373 -7.2371 -5.7996 -5.7992 -5.7864 -5.7856 -5.7728 -5.7720 -2.3214 -2.3070 -2.2914 -2.2876 -2.0227 -1.9948 -1.9801 -1.9670 -1.9537 -1.9455 -1.2426 -1.2285 -0.6958 -0.6366 0.9709 1.0789 1.1584 1.3401 1.6166 1.7583 1.8468 1.9052 1.9800 2.0460 2.6563 2.7597 2.9507 2.9720 3.8196 3.8655 4.4690 4.5026 4.7617 4.7664 6.6182 6.6351 7.0262 7.0412 7.7275 7.8010 8.3471 8.4311 k = 0.0000 0.0000 0.1846 ( 7251 PWs) bands (ev): -7.2238 -7.2236 -5.8012 -5.8008 -5.7982 -5.7971 -5.7818 -5.7809 -2.3229 -2.3078 -2.2917 -2.2869 -2.0239 -1.9941 -1.9816 -1.9677 -1.9531 -1.9453 -1.2356 -1.2193 -0.6899 -0.6248 0.9653 1.0689 1.1285 1.3163 1.6433 1.7641 1.8635 1.9351 1.9870 2.0641 2.6625 2.7602 2.9563 2.9817 3.7662 3.8309 4.3888 4.4399 4.7464 4.7535 6.6570 6.6799 7.1257 7.1362 7.7717 7.8571 8.3005 8.3884 k = 0.0000 0.0000 0.2076 ( 7257 PWs) bands (ev): -7.2085 -7.2084 -5.8146 -5.8139 -5.8009 -5.8001 -5.7903 -5.7896 -2.3244 -2.3088 -2.2921 -2.2860 -2.0249 -1.9939 -1.9829 -1.9683 -1.9523 -1.9451 -1.2279 -1.2093 -0.6845 -0.6145 0.9621 1.0554 1.1034 1.3019 1.6607 1.7567 1.8801 1.9541 2.0069 2.0843 2.6795 2.7635 2.9662 2.9948 3.7067 3.7940 4.3078 4.3788 4.7306 4.7403 6.6933 6.7208 7.2277 7.2298 7.8234 7.9220 8.2540 8.3436 k = 0.0000 0.0000 0.2307 ( 7261 PWs) bands (ev): -7.1916 -7.1914 -5.8303 -5.8295 -5.8078 -5.8065 -5.7948 -5.7943 -2.3258 -2.3100 -2.2925 -2.2852 -2.0255 -1.9942 -1.9841 -1.9686 -1.9514 -1.9449 -1.2197 -1.1987 -0.6799 -0.6065 0.9577 1.0377 1.0877 1.2989 1.6646 1.7295 1.8994 1.9651 2.0409 2.1106 2.7061 2.7703 2.9789 3.0104 3.6431 3.7564 4.2271 4.3194 4.7146 4.7270 6.7281 6.7590 7.3129 7.3261 7.8860 7.9963 8.2102 8.2983 k = 0.0000 0.0000 0.2538 ( 7261 PWs) bands (ev): -7.1731 -7.1728 -5.8472 -5.8462 -5.8189 -5.8175 -5.7959 -5.7957 -2.3271 -2.3113 -2.2929 -2.2844 -2.0259 -1.9949 -1.9850 -1.9687 -1.9506 -1.9446 -1.2112 -1.1875 -0.6767 -0.6010 0.9474 1.0154 1.0873 1.3075 1.6521 1.6835 1.9229 1.9785 2.0806 2.1439 2.7399 2.7805 2.9929 3.0280 3.5784 3.7200 4.1472 4.2615 4.6987 4.7136 6.7622 6.7958 7.3826 7.4105 7.9626 8.0672 8.1813 8.2573 k = 0.0000 0.0000 0.2769 ( 7257 PWs) bands (ev): -7.1529 -7.1526 -5.8650 -5.8640 -5.8315 -5.8300 -5.7965 -5.7964 -2.3284 -2.3126 -2.2934 -2.2837 -2.0262 -1.9958 -1.9857 -1.9686 -1.9497 -1.9443 -1.2023 -1.1759 -0.6752 -0.5985 0.9301 0.9894 1.1039 1.3268 1.6165 1.6321 1.9492 1.9965 2.1235 2.1824 2.7769 2.7941 3.0067 3.0468 3.5165 3.6873 4.0683 4.2045 4.6831 4.7003 6.7960 6.8317 7.4360 7.4766 8.0488 8.0757 8.1898 8.2641 k = 0.0000 0.0000 0.2999 ( 7249 PWs) bands (ev): -7.1312 -7.1309 -5.8835 -5.8825 -5.8449 -5.8434 -5.7973 -5.7973 -2.3296 -2.3140 -2.2938 -2.2830 -2.0262 -1.9968 -1.9863 -1.9685 -1.9488 -1.9440 -1.1932 -1.1641 -0.6755 -0.5991 0.9084 0.9611 1.1342 1.3534 1.5536 1.5907 1.9759 2.0181 2.1687 2.2237 2.7996 2.8246 3.0183 3.0664 3.4621 3.6605 3.9906 4.1480 4.6681 4.6873 6.8300 6.8673 7.4742 7.5235 8.0373 8.0961 8.2163 8.3645 k = 0.0000 0.0000 0.3230 ( 7247 PWs) bands (ev): -7.1079 -7.1076 -5.9027 -5.9016 -5.8590 -5.8574 -5.7985 -5.7985 -2.3307 -2.3154 -2.2942 -2.2824 -2.0261 -1.9978 -1.9865 -1.9682 -1.9481 -1.9435 -1.1840 -1.1522 -0.6776 -0.6027 0.8849 0.9314 1.1737 1.3759 1.4970 1.5459 2.0000 2.0415 2.2152 2.2660 2.8107 2.8655 3.0256 3.0875 3.4206 3.6412 3.9141 4.0917 4.6537 4.6746 6.8644 6.9029 7.4997 7.5543 7.9921 8.0650 8.3192 8.4853 k = 0.0000 0.0000 0.3461 ( 7243 PWs) bands (ev): -7.0832 -7.0828 -5.9224 -5.9212 -5.8735 -5.8719 -5.8002 -5.8001 -2.3317 -2.3167 -2.2946 -2.2819 -2.0260 -1.9988 -1.9866 -1.9680 -1.9475 -1.9430 -1.1747 -1.1402 -0.6817 -0.6092 0.8605 0.9014 1.2155 1.3565 1.4902 1.5027 2.0189 2.0649 2.2620 2.3080 2.8196 2.9043 3.0277 3.1116 3.3963 3.6297 3.8394 4.0355 4.6401 4.6623 6.8994 6.9388 7.5155 7.5727 7.9445 8.0168 8.4350 8.5685 k = 0.0000 0.0000 0.3691 ( 7241 PWs) bands (ev): -7.0571 -7.0566 -5.9423 -5.9411 -5.8884 -5.8868 -5.8025 -5.8024 -2.3327 -2.3181 -2.2949 -2.2815 -2.0258 -1.9996 -1.9863 -1.9679 -1.9469 -1.9425 -1.1653 -1.1283 -0.6876 -0.6183 0.8345 0.8719 1.2317 1.3190 1.4651 1.5366 2.0300 2.0855 2.3077 2.3491 2.8283 2.9342 3.0307 3.1398 3.3901 3.6238 3.7687 3.9798 4.6271 4.6503 6.9349 6.9751 7.5240 7.5820 7.8957 7.9642 8.5261 8.6013 k = 0.0000 0.0000 0.3922 ( 7245 PWs) bands (ev): -7.0296 -7.0291 -5.9624 -5.9612 -5.9036 -5.9020 -5.8054 -5.8053 -2.3335 -2.3194 -2.2953 -2.2812 -2.0257 -2.0004 -1.9858 -1.9678 -1.9465 -1.9419 -1.1559 -1.1165 -0.6952 -0.6294 0.8046 0.8441 1.1824 1.3160 1.4630 1.5970 2.0316 2.1005 2.3510 2.3895 2.8392 2.9482 3.0457 3.1722 3.3992 3.6127 3.7122 3.9255 4.6148 4.6387 6.9712 7.0119 7.5271 7.5843 7.8457 7.9092 8.5579 8.6366 k = 0.0000 0.0000 0.4153 ( 7241 PWs) bands (ev): -7.0009 -7.0003 -5.9826 -5.9814 -5.9189 -5.9173 -5.8091 -5.8090 -2.3342 -2.3206 -2.2956 -2.2810 -2.0255 -2.0010 -1.9851 -1.9678 -1.9462 -1.9414 -1.1465 -1.1050 -0.7041 -0.6423 0.7690 0.8176 1.1135 1.2985 1.5081 1.6653 2.0233 2.1069 2.3908 2.4299 2.8539 2.9523 3.0726 3.2081 3.4193 3.5726 3.6926 3.8739 4.6031 4.6274 7.0081 7.0492 7.5259 7.5812 7.7943 7.8523 8.5696 8.6442 k = 0.0000 0.0000 0.4383 ( 7241 PWs) bands (ev): -6.9709 -6.9704 -6.0027 -6.0015 -5.9344 -5.9327 -5.8137 -5.8135 -2.3349 -2.3218 -2.2960 -2.2809 -2.0254 -2.0014 -1.9841 -1.9680 -1.9460 -1.9409 -1.1369 -1.0938 -0.7142 -0.6565 0.7275 0.7889 1.0484 1.2714 1.5787 1.7374 2.0065 2.1028 2.4276 2.4710 2.8717 2.9604 3.1020 3.2464 3.4464 3.5109 3.7017 3.8276 4.5920 4.6165 7.0456 7.0869 7.5210 7.5731 7.7411 7.7939 8.5787 8.6521 k = 0.0000 0.0000 0.4614 ( 7257 PWs) bands (ev): -6.9399 -6.9393 -6.0225 -6.0213 -5.9498 -5.9481 -5.8190 -5.8188 -2.3354 -2.3228 -2.2964 -2.2810 -2.0254 -2.0018 -1.9829 -1.9684 -1.9459 -1.9405 -1.1271 -1.0829 -0.7252 -0.6713 0.6804 0.7523 0.9955 1.2467 1.6592 1.8057 1.9882 2.0888 2.4628 2.5129 2.8889 2.9805 3.1276 3.2853 3.4449 3.4810 3.7176 3.7922 4.5813 4.6059 7.0836 7.1249 7.5127 7.5598 7.6858 7.7349 8.5883 8.6614 k = 0.0000 0.0000 0.4845 ( 7245 PWs) bands (ev): -6.9078 -6.9071 -6.0421 -6.0409 -5.9652 -5.9635 -5.8254 -5.8251 -2.3358 -2.3237 -2.2968 -2.2811 -2.0254 -2.0020 -1.9816 -1.9688 -1.9458 -1.9402 -1.1171 -1.0724 -0.7367 -0.6864 0.6285 0.7035 0.9601 1.2288 1.7412 1.8462 1.9928 2.0696 2.4980 2.5553 2.9016 3.0136 3.1435 3.3202 3.3922 3.5169 3.7204 3.7846 4.5709 4.5956 7.1219 7.1630 7.4999 7.5399 7.6286 7.6775 8.5998 8.6728 k = 0.0000 0.0000 0.5076 ( 7259 PWs) bands (ev): -6.8748 -6.8741 -6.0611 -6.0600 -5.9805 -5.9788 -5.8326 -5.8324 -2.3361 -2.3246 -2.2973 -2.2814 -2.0254 -2.0021 -1.9803 -1.9694 -1.9459 -1.9400 -1.1067 -1.0622 -0.7486 -0.7013 0.5725 0.6431 0.9418 1.2187 1.8118 1.8347 2.0460 2.0574 2.5339 2.5980 2.9083 3.0550 3.1412 3.3306 3.3787 3.5580 3.7084 3.8070 4.5609 4.5858 7.1603 7.2009 7.4786 7.5107 7.5713 7.6264 8.6138 8.6871 k = 0.0000 0.0000 0.5306 ( 7259 PWs) bands (ev): -6.8410 -6.8401 -6.0797 -6.0786 -5.9957 -5.9939 -5.8409 -5.8406 -2.3363 -2.3252 -2.2978 -2.2818 -2.0254 -2.0021 -1.9790 -1.9700 -1.9461 -1.9400 -1.0960 -1.0525 -0.7605 -0.7154 0.5134 0.5753 0.9367 1.2165 1.7923 1.8516 2.0769 2.1228 2.5706 2.6412 2.9073 3.0885 3.1255 3.3246 3.4035 3.6043 3.7020 3.8400 4.5512 4.5763 7.1982 7.2376 7.4395 7.4678 7.5238 7.5859 8.6309 8.7045 k = 0.0000 0.0000 0.5537 ( 7255 PWs) bands (ev): -6.8064 -6.8055 -6.0977 -6.0966 -6.0106 -6.0089 -5.8501 -5.8498 -2.3364 -2.3258 -2.2984 -2.2823 -2.0253 -2.0021 -1.9778 -1.9705 -1.9464 -1.9400 -1.0849 -1.0431 -0.7722 -0.7281 0.4520 0.5042 0.9409 1.2216 1.7430 1.8444 2.1407 2.2029 2.6078 2.6851 2.8967 3.0600 3.1565 3.3308 3.4319 3.6561 3.7072 3.8772 4.5417 4.5672 7.2338 7.2703 7.3813 7.4091 7.4948 7.5545 8.6513 8.7251 k = 0.0000 0.0000 0.5768 ( 7255 PWs) bands (ev): -6.7712 -6.7703 -6.1149 -6.1139 -6.0254 -6.0237 -5.8602 -5.8599 -2.3364 -2.3262 -2.2991 -2.2830 -2.0252 -2.0021 -1.9770 -1.9707 -1.9468 -1.9401 -1.0734 -1.0343 -0.7833 -0.7390 0.3894 0.4323 0.9518 1.2333 1.6905 1.8140 2.2273 2.2777 2.6446 2.7303 2.8755 3.0183 3.1976 3.3427 3.4628 3.7067 3.7290 3.9171 4.5326 4.5587 7.2511 7.2877 7.3183 7.3614 7.4741 7.5274 8.6750 8.7488 k = 0.0000 0.0000 0.5998 ( 7261 PWs) bands (ev): -6.7356 -6.7345 -6.1315 -6.1305 -6.0399 -6.0382 -5.8711 -5.8709 -2.3363 -2.3265 -2.2998 -2.2838 -2.0251 -2.0021 -1.9769 -1.9704 -1.9474 -1.9404 -1.0617 -1.0261 -0.7936 -0.7477 0.3263 0.3612 0.9675 1.2509 1.6376 1.7767 2.3178 2.3403 2.6784 2.7777 2.8477 2.9878 3.2336 3.3547 3.4990 3.7343 3.7845 3.9592 4.5238 4.5509 7.1959 7.2383 7.3182 7.3704 7.4568 7.5020 8.7018 8.7754 k = 0.0000 0.0000 0.6229 ( 7257 PWs) bands (ev): -6.6995 -6.6985 -6.1473 -6.1463 -6.0543 -6.0526 -5.8828 -5.8825 -2.3361 -2.3266 -2.3005 -2.2847 -2.0249 -2.0022 -1.9773 -1.9697 -1.9481 -1.9407 -1.0500 -1.0185 -0.8024 -0.7537 0.2631 0.2920 0.9868 1.2735 1.5861 1.7392 2.3760 2.4074 2.7006 2.8181 2.8420 2.9742 3.2629 3.3652 3.5406 3.7577 3.8507 4.0033 4.5155 4.5438 7.1101 7.1553 7.3437 7.3956 7.4451 7.4791 8.7314 8.8044 k = 0.0000 0.0000 0.6460 ( 7261 PWs) bands (ev): -6.6633 -6.6622 -6.1624 -6.1614 -6.0685 -6.0669 -5.8949 -5.8947 -2.3358 -2.3267 -2.3012 -2.2858 -2.0246 -2.0025 -1.9779 -1.9687 -1.9489 -1.9411 -1.0387 -1.0117 -0.8092 -0.7569 0.2006 0.2256 1.0086 1.2997 1.5378 1.7050 2.3919 2.4659 2.7097 2.8339 2.8975 2.9789 3.2855 3.3741 3.5853 3.7813 3.9193 4.0492 4.5078 4.5375 7.0168 7.0662 7.3550 7.4089 7.4465 7.4698 8.7633 8.8353 k = 0.0000 0.0000 0.6691 ( 7263 PWs) bands (ev): -6.6270 -6.6258 -6.1768 -6.1758 -6.0827 -6.0811 -5.9074 -5.9072 -2.3355 -2.3266 -2.3020 -2.2870 -2.0242 -2.0029 -1.9785 -1.9679 -1.9497 -1.9416 -1.0284 -1.0058 -0.8132 -0.7570 0.1391 0.1625 1.0318 1.3273 1.4951 1.6761 2.3825 2.4746 2.7391 2.8636 2.9600 3.0067 3.3021 3.3823 3.6306 3.8046 3.9880 4.0963 4.5010 4.5324 6.9203 6.9736 7.3456 7.3956 7.4631 7.4883 8.7966 8.8673 k = 0.0000 0.0000 0.6921 ( 7267 PWs) bands (ev): -6.5909 -6.5896 -6.1907 -6.1897 -6.0967 -6.0951 -5.9199 -5.9197 -2.3350 -2.3266 -2.3026 -2.2884 -2.0237 -2.0036 -1.9790 -1.9672 -1.9504 -1.9421 -1.0198 -1.0008 -0.8136 -0.7543 0.0797 0.1029 1.0552 1.3495 1.4647 1.6542 2.3538 2.4389 2.7950 2.8978 3.0088 3.0681 3.3133 3.3907 3.6743 3.8266 4.0550 4.1440 4.4954 4.5284 6.8234 6.8793 7.3251 7.3685 7.4899 7.5160 8.8306 8.8995 k = 0.0000 0.0000 0.7152 ( 7279 PWs) bands (ev): -6.5550 -6.5536 -6.2042 -6.2031 -6.1105 -6.1090 -5.9321 -5.9319 -2.3345 -2.3265 -2.3032 -2.2898 -2.0231 -2.0045 -1.9793 -1.9669 -1.9509 -1.9427 -1.0131 -0.9968 -0.8100 -0.7490 0.0232 0.0471 1.0779 1.3508 1.4619 1.6404 2.3117 2.3838 2.8551 2.9319 3.0546 3.1444 3.3199 3.4006 3.7149 3.8470 4.1185 4.1910 4.4915 4.5257 6.7286 6.7853 7.3004 7.3380 7.5189 7.5439 8.8641 8.9310 k = 0.0000 0.0000 0.7383 ( 7279 PWs) bands (ev): -6.5196 -6.5182 -6.2177 -6.2166 -6.1240 -6.1227 -5.9436 -5.9434 -2.3339 -2.3265 -2.3036 -2.2914 -2.0223 -2.0056 -1.9792 -1.9670 -1.9512 -1.9433 -1.0084 -0.9940 -0.8023 -0.7418 -0.0291 -0.0047 1.0989 1.3297 1.4879 1.6354 2.2615 2.3225 2.9078 2.9643 3.1039 3.2196 3.3232 3.4134 3.7519 3.8651 4.1767 4.2354 4.4897 4.5245 6.6385 6.6940 7.2746 7.3069 7.5469 7.5697 8.8955 8.9606 k = 0.0000 0.0000 0.7613 ( 7269 PWs) bands (ev): -6.4849 -6.4834 -6.2318 -6.2305 -6.1369 -6.1356 -5.9541 -5.9539 -2.3332 -2.3266 -2.3037 -2.2929 -2.0214 -2.0070 -1.9789 -1.9675 -1.9511 -1.9439 -1.0053 -0.9925 -0.7907 -0.7336 -0.0763 -0.0520 1.1177 1.3018 1.5262 1.6396 2.2073 2.2599 2.9509 2.9940 3.1515 3.2816 3.3305 3.4306 3.7852 3.8806 4.2280 4.2751 4.4908 4.5247 6.5560 6.6080 7.2496 7.2766 7.5726 7.5926 8.9222 8.9865 k = 0.0000 0.0000 0.7844 ( 7272 PWs) bands (ev): -6.4512 -6.4496 -6.2470 -6.2455 -6.1485 -6.1475 -5.9631 -5.9630 -2.3324 -2.3268 -2.3036 -2.2946 -2.0204 -2.0085 -1.9783 -1.9684 -1.9508 -1.9447 -1.0031 -0.9923 -0.7764 -0.7255 -0.1170 -0.0941 1.1341 1.2743 1.5684 1.6518 2.1530 2.1989 2.9861 3.0198 3.1911 3.3007 3.3691 3.4521 3.8150 3.8928 4.2710 4.3080 4.4953 4.5260 6.4842 6.5301 7.2270 7.2488 7.5951 7.6118 8.9382 8.9747 k = 0.0000 0.0000 0.8075 ( 7272 PWs) bands (ev): -6.4186 -6.4170 -6.2640 -6.2624 -6.1583 -6.1576 -5.9705 -5.9704 -2.3316 -2.3272 -2.3033 -2.2962 -2.0192 -2.0101 -1.9774 -1.9696 -1.9502 -1.9454 -1.0016 -0.9931 -0.7606 -0.7189 -0.1497 -0.1299 1.1487 1.2492 1.6109 1.6698 2.1026 2.1417 3.0147 3.0406 3.2201 3.2967 3.4181 3.4752 3.8412 3.9011 4.3049 4.3324 4.5029 4.5281 6.4261 6.4634 7.2081 7.2247 7.6138 7.6267 8.9384 8.9607 k = 0.0000 0.0000 0.8306 ( 7268 PWs) bands (ev): -6.3876 -6.3859 -6.2834 -6.2817 -6.1657 -6.1652 -5.9759 -5.9758 -2.3308 -2.3277 -2.3026 -2.2977 -2.0179 -2.0118 -1.9763 -1.9709 -1.9495 -1.9462 -1.0002 -0.9943 -0.7452 -0.7154 -0.1731 -0.1583 1.1624 1.2270 1.6502 1.6889 2.0611 2.0913 3.0371 3.0552 3.2401 3.2881 3.4585 3.4944 3.8638 3.9047 4.3295 4.3478 4.5121 4.5298 6.3844 6.4108 7.1944 7.2055 7.6282 7.6370 8.9328 8.9471 k = 0.0000 0.0000 0.8536 ( 7272 PWs) bands (ev): -6.3585 -6.3568 -6.3052 -6.3035 -6.1702 -6.1700 -5.9792 -5.9791 -2.3299 -2.3284 -2.3017 -2.2992 -2.0165 -2.0134 -1.9751 -1.9723 -1.9487 -1.9470 -0.9988 -0.9959 -0.7316 -0.7161 -0.1858 -0.1779 1.1761 1.2077 1.6819 1.7018 2.0352 2.0525 3.0530 3.0624 3.2546 3.2778 3.4870 3.5045 3.8821 3.9029 4.3456 4.3547 4.5207 4.5297 6.3614 6.3751 7.1868 7.1924 7.6380 7.6424 8.9295 8.9366 k = 0.0000 0.0000 0.8767 ( 7280 PWs) bands (ev): -6.3354 -6.3354 -6.3241 -6.3241 -6.1717 -6.1717 -5.9803 -5.9803 -2.3291 -2.3291 -2.3005 -2.3005 -2.0150 -2.0150 -1.9738 -1.9738 -1.9479 -1.9479 -0.9974 -0.9974 -0.7216 -0.7216 -0.1874 -0.1874 1.1910 1.1910 1.7004 1.7004 2.0319 2.0319 3.0617 3.0617 3.2667 3.2667 3.5024 3.5024 3.8954 3.8954 4.3539 4.3539 4.5269 4.5269 6.3583 6.3583 7.1861 7.1861 7.6427 7.6427 8.9306 8.9306 k = 0.0000 0.0000 0.8767 ( 7280 PWs) bands (ev): -6.3354 -6.3354 -6.3241 -6.3241 -6.1717 -6.1717 -5.9803 -5.9803 -2.3291 -2.3291 -2.3005 -2.3005 -2.0150 -2.0150 -1.9738 -1.9738 -1.9479 -1.9479 -0.9974 -0.9974 -0.7216 -0.7216 -0.1874 -0.1874 1.1910 1.1910 1.7004 1.7004 2.0319 2.0319 3.0617 3.0617 3.2667 3.2667 3.5024 3.5024 3.8954 3.8954 4.3539 4.3539 4.5269 4.5269 6.3583 6.3583 7.1861 7.1861 7.6427 7.6427 8.9306 8.9306 k =-0.0121 0.0174 0.8767 ( 7272 PWs) bands (ev): -6.3355 -6.3354 -6.3241 -6.3241 -6.1721 -6.1721 -5.9803 -5.9802 -2.3299 -2.3285 -2.3031 -2.2983 -2.0173 -2.0131 -1.9762 -1.9716 -1.9491 -1.9468 -0.9964 -0.9925 -0.7202 -0.7196 -0.1895 -0.1856 1.1902 1.1926 1.6996 1.7021 2.0258 2.0389 3.0542 3.0663 3.2586 3.2670 3.4975 3.5040 3.8915 3.8954 4.3504 4.3542 4.5238 4.5248 6.3571 6.3659 7.1879 7.1901 7.6409 7.6603 8.9188 8.9347 k =-0.0241 0.0347 0.8767 ( 7272 PWs) bands (ev): -6.3358 -6.3356 -6.3241 -6.3240 -6.1733 -6.1732 -5.9802 -5.9801 -2.3307 -2.3279 -2.3060 -2.2963 -2.0199 -2.0115 -1.9789 -1.9700 -1.9503 -1.9459 -0.9894 -0.9817 -0.7156 -0.7143 -0.1918 -0.1840 1.1902 1.1952 1.6998 1.7047 2.0202 2.0466 3.0440 3.0682 3.2422 3.2597 3.4895 3.5022 3.8837 3.8918 4.3437 4.3513 4.5159 4.5178 6.3624 6.3797 7.1953 7.1996 7.6546 7.6934 8.9006 8.9296 k =-0.0362 0.0521 0.8767 ( 7270 PWs) bands (ev): -6.3362 -6.3359 -6.3242 -6.3239 -6.1751 -6.1750 -5.9801 -5.9800 -2.3317 -2.3275 -2.3090 -2.2947 -2.0229 -2.0104 -1.9815 -1.9690 -1.9513 -1.9453 -0.9766 -0.9651 -0.7077 -0.7058 -0.1943 -0.1826 1.1912 1.1986 1.7008 1.7083 2.0153 2.0551 3.0311 3.0673 3.2176 3.2453 3.4789 3.4970 3.8723 3.8850 4.3335 4.3451 4.5036 4.5061 6.3740 6.3997 7.2082 7.2145 7.6829 7.7412 8.8769 8.9153 k =-0.0482 0.0694 0.8767 ( 7266 PWs) bands (ev): -6.3368 -6.3364 -6.3245 -6.3243 -6.1773 -6.1771 -5.9799 -5.9798 -2.3328 -2.3272 -2.3123 -2.2934 -2.0261 -2.0098 -1.9840 -1.9687 -1.9521 -1.9450 -0.9582 -0.9430 -0.6967 -0.6941 -0.1971 -0.1816 1.1929 1.2029 1.7027 1.7129 2.0109 2.0644 3.0156 3.0636 3.1849 3.2239 3.4659 3.4890 3.8577 3.8755 4.3196 4.3357 4.4871 4.4909 6.3916 6.4256 7.2263 7.2343 7.7245 7.8024 8.8480 8.8932 k =-0.0603 0.0868 0.8767 ( 7274 PWs) bands (ev): -6.3376 -6.3372 -6.3256 -6.3252 -6.1793 -6.1791 -5.9795 -5.9794 -2.3340 -2.3271 -2.3156 -2.2925 -2.0296 -2.0100 -1.9860 -1.9691 -1.9526 -1.9449 -0.9343 -0.9156 -0.6827 -0.6794 -0.2002 -0.1808 1.1955 1.2080 1.7054 1.7183 2.0070 2.0745 2.9976 3.0567 3.1450 3.1958 3.4509 3.4785 3.8403 3.8637 4.3018 4.3228 4.4671 4.4735 6.4152 6.4570 7.2491 7.2585 7.7772 7.8750 8.8140 8.8644 k =-0.0723 0.1041 0.8767 ( 7270 PWs) bands (ev): -6.3388 -6.3383 -6.3276 -6.3272 -6.1809 -6.1806 -5.9790 -5.9789 -2.3353 -2.3271 -2.3188 -2.2918 -2.0334 -2.0108 -1.9874 -1.9700 -1.9527 -1.9451 -0.9054 -0.8832 -0.6658 -0.6618 -0.2035 -0.1803 1.1989 1.2141 1.7090 1.7247 2.0034 2.0854 2.9771 3.0449 3.1005 3.1616 3.4341 3.4662 3.8210 3.8502 4.2799 4.3060 4.4445 4.4549 6.4443 6.4934 7.2761 7.2865 7.8384 7.9565 8.7747 8.8297 k =-0.0844 0.1215 0.8767 ( 7270 PWs) bands (ev): -6.3404 -6.3398 -6.3311 -6.3306 -6.1813 -6.1809 -5.9782 -5.9781 -2.3367 -2.3274 -2.3219 -2.2914 -2.0373 -2.0124 -1.9882 -1.9712 -1.9528 -1.9456 -0.8717 -0.8464 -0.6463 -0.6415 -0.2069 -0.1802 1.2031 1.2210 1.7133 1.7320 1.9999 2.0971 2.9542 3.0196 3.0611 3.1220 3.4159 3.4524 3.8001 3.8352 4.2537 4.2850 4.4207 4.4360 6.4784 6.5346 7.3065 7.3176 7.9042 8.0434 8.7301 8.7897 k =-0.0964 0.1389 0.8767 ( 7266 PWs) bands (ev): -6.3426 -6.3417 -6.3364 -6.3357 -6.1803 -6.1798 -5.9771 -5.9770 -2.3384 -2.3281 -2.3245 -2.2912 -2.0414 -2.0146 -1.9885 -1.9725 -1.9527 -1.9463 -0.8336 -0.8055 -0.6243 -0.6186 -0.2104 -0.1804 1.2080 1.2287 1.7183 1.7402 1.9966 2.1094 2.9279 2.9723 3.0361 3.0797 3.3965 3.4376 3.7783 3.8190 4.2236 4.2594 4.3971 4.4174 6.5173 6.5800 7.3395 7.3509 7.9696 8.1311 8.6801 8.7443 k =-0.1085 0.1562 0.8767 ( 7262 PWs) bands (ev): -6.3462 -6.3444 -6.3435 -6.3419 -6.1773 -6.1768 -5.9756 -5.9755 -2.3402 -2.3297 -2.3260 -2.2912 -2.0454 -2.0172 -1.9884 -1.9739 -1.9527 -1.9471 -0.7917 -0.7614 -0.6001 -0.5935 -0.2138 -0.1810 1.2137 1.2374 1.7239 1.7493 1.9933 2.1223 2.8914 2.9227 3.0059 3.0442 3.3763 3.4221 3.7559 3.8020 4.1899 4.2291 4.3745 4.3992 6.5603 6.6290 7.3742 7.3856 8.0278 8.2120 8.6249 8.6927 k =-0.1205 0.1736 0.8767 ( 7266 PWs) bands (ev): -6.3541 -6.3534 -6.3471 -6.3466 -6.1724 -6.1717 -5.9737 -5.9735 -2.3423 -2.3319 -2.3269 -2.2913 -2.0494 -2.0200 -1.9882 -1.9751 -1.9527 -1.9482 -0.7467 -0.7148 -0.5740 -0.5661 -0.2167 -0.1817 1.2202 1.2469 1.7302 1.7591 1.9898 2.1356 2.8342 2.8884 2.9582 3.0235 3.3557 3.4060 3.7333 3.7842 4.1534 4.1948 4.3535 4.3817 6.6069 6.6811 7.4095 7.4206 8.0700 8.2749 8.5655 8.6312 k =-0.1205 0.1736 0.8767 ( 7266 PWs) bands (ev): -6.3541 -6.3534 -6.3471 -6.3466 -6.1724 -6.1717 -5.9737 -5.9735 -2.3423 -2.3319 -2.3269 -2.2913 -2.0494 -2.0200 -1.9882 -1.9751 -1.9527 -1.9482 -0.7467 -0.7148 -0.5740 -0.5661 -0.2167 -0.1817 1.2202 1.2469 1.7302 1.7591 1.9898 2.1356 2.8342 2.8884 2.9582 3.0235 3.3557 3.4060 3.7333 3.7842 4.1534 4.1948 4.3535 4.3817 6.6069 6.6811 7.4095 7.4206 8.0700 8.2749 8.5655 8.6312 k =-0.1296 0.1866 0.8609 ( 7275 PWs) bands (ev): -6.3683 -6.3667 -6.3457 -6.3446 -6.1673 -6.1667 -5.9708 -5.9706 -2.3438 -2.3340 -2.3260 -2.2924 -2.0511 -2.0237 -1.9871 -1.9754 -1.9535 -1.9495 -0.7106 -0.6734 -0.5613 -0.5460 -0.2143 -0.1812 1.2255 1.2557 1.7292 1.7596 2.0041 2.1502 2.7829 2.8646 2.9120 3.0196 3.3207 3.3902 3.7254 3.7719 4.1296 4.1754 4.3315 4.3568 6.6471 6.7246 7.4320 7.4482 8.0935 8.3112 8.4986 8.5553 k =-0.1386 0.1996 0.8450 ( 7282 PWs) bands (ev): -6.3827 -6.3809 -6.3467 -6.3456 -6.1612 -6.1604 -5.9657 -5.9655 -2.3454 -2.3359 -2.3248 -2.2936 -2.0526 -2.0273 -1.9860 -1.9756 -1.9544 -1.9507 -0.6758 -0.6333 -0.5517 -0.5242 -0.2068 -0.1716 1.2268 1.2706 1.7182 1.7570 2.0280 2.1741 2.7240 2.8441 2.8639 3.0144 3.2763 3.3658 3.7191 3.7601 4.1027 4.1530 4.3093 4.3306 6.6955 6.7765 7.4524 7.4774 8.1038 8.3304 8.4327 8.4780 k =-0.1476 0.2126 0.8292 ( 7276 PWs) bands (ev): -6.3968 -6.3950 -6.3503 -6.3493 -6.1549 -6.1539 -5.9581 -5.9578 -2.3471 -2.3378 -2.3235 -2.2949 -2.0538 -2.0308 -1.9849 -1.9757 -1.9554 -1.9519 -0.6462 -0.6005 -0.5335 -0.5028 -0.1941 -0.1533 1.2270 1.2884 1.7013 1.7521 2.0577 2.2056 2.6628 2.8066 2.8303 3.0079 3.2236 3.3331 3.7138 3.7492 4.0721 4.1283 4.2879 4.3043 6.7510 6.8355 7.4696 7.5057 8.1001 8.3236 8.3726 8.4125 k =-0.1567 0.2256 0.8133 ( 7280 PWs) bands (ev): -6.4105 -6.4087 -6.3558 -6.3549 -6.1494 -6.1482 -5.9481 -5.9478 -2.3488 -2.3396 -2.3220 -2.2962 -2.0546 -2.0344 -1.9839 -1.9757 -1.9565 -1.9530 -0.6290 -0.5789 -0.4983 -0.4792 -0.1754 -0.1278 1.2271 1.3079 1.6817 1.7459 2.0904 2.2420 2.6017 2.7538 2.8092 2.9996 3.1647 3.2933 3.7077 3.7398 4.0372 4.1021 4.2675 4.2796 6.8127 6.9006 7.4817 7.5305 8.0823 8.2756 8.3182 8.3836 k =-0.1657 0.2386 0.7975 ( 7274 PWs) bands (ev): -6.4238 -6.4220 -6.3625 -6.3616 -6.1451 -6.1437 -5.9359 -5.9356 -2.3505 -2.3413 -2.3203 -2.2976 -2.0552 -2.0378 -1.9829 -1.9757 -1.9576 -1.9540 -0.6263 -0.5637 -0.4530 -0.4484 -0.1507 -0.0968 1.2271 1.3286 1.6612 1.7393 2.1237 2.2805 2.5426 2.6992 2.7876 2.9879 3.1027 3.2483 3.6980 3.7332 3.9975 4.0760 4.2476 4.2583 6.8794 6.9705 7.4865 7.5489 8.0525 8.2063 8.2761 8.3736 k =-0.1747 0.2517 0.7816 ( 7267 PWs) bands (ev): -6.4366 -6.4348 -6.3700 -6.3690 -6.1421 -6.1405 -5.9219 -5.9215 -2.3521 -2.3430 -2.3186 -2.2990 -2.0554 -2.0411 -1.9820 -1.9758 -1.9587 -1.9547 -0.6320 -0.5553 -0.4126 -0.3999 -0.1207 -0.0619 1.2270 1.3504 1.6407 1.7334 2.1557 2.3167 2.4897 2.6442 2.7644 2.9658 3.0460 3.2004 3.6824 3.7299 3.9532 4.0513 4.2281 4.2414 6.9500 7.0435 7.4820 7.5577 8.0162 8.1360 8.2462 8.3662 k =-0.1838 0.2647 0.7658 ( 7268 PWs) bands (ev): -6.4489 -6.4471 -6.3778 -6.3768 -6.1403 -6.1387 -5.9065 -5.9062 -2.3536 -2.3446 -2.3169 -2.3005 -2.0555 -2.0443 -1.9813 -1.9758 -1.9598 -1.9552 -0.6415 -0.5531 -0.3687 -0.3462 -0.0865 -0.0241 1.2267 1.3730 1.6207 1.7288 2.1841 2.3372 2.4560 2.5898 2.7388 2.9191 3.0100 3.1527 3.6605 3.7290 3.9051 4.0291 4.2104 4.2278 7.0232 7.1179 7.4670 7.5537 7.9803 8.0716 8.2248 8.3594 k =-0.1928 0.2777 0.7500 ( 7274 PWs) bands (ev): -6.4605 -6.4587 -6.3857 -6.3846 -6.1396 -6.1379 -5.8904 -5.8901 -2.3551 -2.3461 -2.3153 -2.3018 -2.0555 -2.0471 -1.9808 -1.9760 -1.9608 -1.9555 -0.6527 -0.5551 -0.3210 -0.2910 -0.0491 0.0157 1.2262 1.3961 1.6017 1.7257 2.2052 2.3219 2.4634 2.5373 2.7102 2.8528 2.9898 3.1092 3.6328 3.7290 3.8547 4.0102 4.1951 4.2168 7.0973 7.1908 7.4420 7.5359 7.9493 8.0153 8.2094 8.3528 k =-0.2018 0.2907 0.7341 ( 7266 PWs) bands (ev): -6.4715 -6.4697 -6.3935 -6.3924 -6.1397 -6.1380 -5.8739 -5.8736 -2.3564 -2.3476 -2.3139 -2.3028 -2.0558 -2.0491 -1.9807 -1.9760 -1.9617 -1.9556 -0.6644 -0.5596 -0.2712 -0.2351 -0.0096 0.0568 1.2254 1.4195 1.5838 1.7242 2.2103 2.2918 2.4848 2.4998 2.6772 2.7815 2.9710 3.0748 3.5998 3.7283 3.8039 3.9945 4.1824 4.2080 7.1702 7.2554 7.4113 7.5080 7.9239 7.9669 8.1979 8.3453 k =-0.2109 0.3037 0.7183 ( 7258 PWs) bands (ev): -6.4818 -6.4800 -6.4011 -6.4000 -6.1404 -6.1386 -5.8576 -5.8573 -2.3575 -2.3490 -2.3132 -2.3032 -2.0571 -2.0498 -1.9811 -1.9759 -1.9624 -1.9553 -0.6761 -0.5656 -0.2204 -0.1792 0.0311 0.0985 1.2247 1.4426 1.5677 1.7240 2.1874 2.2744 2.4432 2.5375 2.6376 2.7126 2.9485 3.0532 3.5625 3.7203 3.7603 3.9820 4.1720 4.2013 7.2373 7.2908 7.3888 7.4851 7.9013 7.9256 8.1885 8.3354 k =-0.2199 0.3167 0.7024 ( 7259 PWs) bands (ev): -6.4913 -6.4895 -6.4083 -6.4071 -6.1415 -6.1396 -5.8418 -5.8415 -2.3586 -2.3504 -2.3134 -2.3027 -2.0592 -2.0493 -1.9820 -1.9756 -1.9630 -1.9548 -0.6875 -0.5723 -0.1695 -0.1239 0.0723 0.1404 1.2240 1.4642 1.5542 1.7247 2.1470 2.2606 2.4080 2.5754 2.5893 2.6541 2.9242 3.0432 3.5219 3.6851 3.7446 3.9719 4.1638 4.1966 7.2694 7.2858 7.3871 7.4991 7.8773 7.8910 8.1793 8.3222 k =-0.2289 0.3297 0.6866 ( 7263 PWs) bands (ev): -6.5000 -6.4982 -6.4150 -6.4139 -6.1428 -6.1409 -5.8267 -5.8264 -2.3595 -2.3517 -2.3143 -2.3016 -2.0618 -2.0480 -1.9834 -1.9751 -1.9634 -1.9541 -0.6982 -0.5792 -0.1194 -0.0699 0.1130 0.1818 1.2236 1.4810 1.5467 1.7259 2.1034 2.2363 2.3797 2.5344 2.5833 2.6356 2.9022 3.0412 3.4795 3.6374 3.7429 3.9636 4.1576 4.1939 7.2275 7.2731 7.4193 7.5473 7.8485 7.8634 8.1687 8.3072 k =-0.2380 0.3428 0.6707 ( 7255 PWs) bands (ev): -6.5079 -6.5061 -6.4213 -6.4201 -6.1443 -6.1423 -5.8126 -5.8124 -2.3603 -2.3529 -2.3157 -2.2999 -2.0643 -2.0464 -1.9851 -1.9746 -1.9638 -1.9531 -0.7082 -0.5861 -0.0709 -0.0178 0.1526 0.2223 1.2238 1.4864 1.5515 1.7272 2.0614 2.2020 2.3487 2.4831 2.5474 2.6677 2.8844 3.0443 3.4364 3.5898 3.7434 3.9566 4.1531 4.1930 7.1787 7.2283 7.4714 7.6030 7.8187 7.8382 8.1565 8.2925 k =-0.2470 0.3558 0.6549 ( 7256 PWs) bands (ev): -6.5149 -6.5131 -6.4269 -6.4257 -6.1457 -6.1437 -5.7998 -5.7996 -2.3609 -2.3539 -2.3173 -2.2981 -2.0669 -2.0445 -1.9871 -1.9742 -1.9641 -1.9520 -0.7173 -0.5926 -0.0247 0.0315 0.1900 0.2612 1.2245 1.4803 1.5688 1.7281 2.0230 2.1630 2.3059 2.4384 2.5166 2.7042 2.8707 3.0511 3.3940 3.5447 3.7444 3.9503 4.1502 4.1940 7.1304 7.1771 7.5226 7.6558 7.7909 7.8131 8.1435 8.2792 k =-0.2560 0.3688 0.6391 ( 7254 PWs) bands (ev): -6.5210 -6.5192 -6.4319 -6.4306 -6.1471 -6.1451 -5.7884 -5.7882 -2.3615 -2.3549 -2.3190 -2.2963 -2.0693 -2.0424 -1.9892 -1.9737 -1.9643 -1.9508 -0.7253 -0.5987 0.0182 0.0774 0.2245 0.2980 1.2261 1.4690 1.5920 1.7283 1.9894 2.1234 2.2539 2.3948 2.4987 2.7399 2.8599 3.0607 3.3538 3.5029 3.7455 3.9444 4.1485 4.1966 7.0854 7.1270 7.5671 7.7014 7.7664 7.7894 8.1311 8.2679 k =-0.2651 0.3818 0.6232 ( 7247 PWs) bands (ev): -6.5262 -6.5245 -6.4362 -6.4349 -6.1483 -6.1463 -5.7785 -5.7783 -2.3620 -2.3557 -2.3208 -2.2944 -2.0716 -2.0401 -1.9913 -1.9734 -1.9644 -1.9496 -0.7324 -0.6043 0.0570 0.1192 0.2550 0.3316 1.2284 1.4563 1.6177 1.7275 1.9616 2.0854 2.1997 2.3498 2.4907 2.7745 2.8502 3.0725 3.3170 3.4648 3.7465 3.9386 4.1481 4.2006 7.0452 7.0811 7.6028 7.7330 7.7460 7.7737 8.1203 8.2587 k =-0.2741 0.3948 0.6074 ( 7254 PWs) bands (ev): -6.5305 -6.5288 -6.4398 -6.4385 -6.1493 -6.1473 -5.7703 -5.7701 -2.3624 -2.3564 -2.3225 -2.2927 -2.0737 -2.0378 -1.9936 -1.9732 -1.9643 -1.9484 -0.7384 -0.6093 0.0908 0.1563 0.2808 0.3610 1.2313 1.4435 1.6445 1.7259 1.9405 2.0505 2.1482 2.3053 2.4881 2.8082 2.8403 3.0859 3.2847 3.4305 3.7475 3.9329 4.1486 4.2057 7.0110 7.0412 7.6279 7.7294 7.7337 7.7857 8.1118 8.2515 k =-0.2832 0.4078 0.5915 ( 7260 PWs) bands (ev): -6.5338 -6.5321 -6.4427 -6.4414 -6.1502 -6.1481 -5.7638 -5.7636 -2.3628 -2.3568 -2.3242 -2.2911 -2.0757 -2.0354 -1.9959 -1.9730 -1.9641 -1.9472 -0.7433 -0.6136 0.1187 0.1880 0.3010 0.3850 1.2341 1.4321 1.6705 1.7248 1.9267 2.0194 2.1024 2.2633 2.4880 2.8259 2.8446 3.1003 3.2577 3.4001 3.7484 3.9270 4.1500 4.2118 6.9838 7.0083 7.6414 7.7141 7.7275 7.8066 8.1056 8.2460 k =-0.2922 0.4208 0.5757 ( 7258 PWs) bands (ev): -6.5362 -6.5345 -6.4448 -6.4435 -6.1507 -6.1487 -5.7592 -5.7589 -2.3631 -2.3571 -2.3257 -2.2895 -2.0775 -2.0329 -1.9983 -1.9731 -1.9638 -1.9461 -0.7471 -0.6172 0.1400 0.2140 0.3150 0.4023 1.2360 1.4233 1.6887 1.7312 1.9206 1.9919 2.0646 2.2254 2.4894 2.8123 2.8787 3.1149 3.2364 3.3738 3.7492 3.9211 4.1521 4.2183 6.9642 6.9835 7.6450 7.7007 7.7279 7.8227 8.1018 8.2420 k =-0.3012 0.4338 0.5598 ( 7252 PWs) bands (ev): -6.5376 -6.5359 -6.4462 -6.4448 -6.1510 -6.1490 -5.7563 -5.7561 -2.3634 -2.3572 -2.3271 -2.2882 -2.0790 -2.0304 -2.0006 -1.9732 -1.9633 -1.9451 -0.7498 -0.6201 0.1541 0.2336 0.3224 0.4120 1.2358 1.4188 1.6907 1.7541 1.9223 1.9674 2.0362 2.1932 2.4918 2.7958 2.9149 3.1283 3.2208 3.3520 3.7499 3.9151 4.1549 4.2252 6.9524 6.9676 7.6432 7.6911 7.7311 7.8332 8.0998 8.2392 k =-0.3103 0.4469 0.5440 ( 7252 PWs) bands (ev): -6.5380 -6.5363 -6.4467 -6.4453 -6.1510 -6.1490 -5.7554 -5.7552 -2.3637 -2.3571 -2.3284 -2.2870 -2.0804 -2.0279 -2.0029 -1.9734 -1.9627 -1.9441 -0.7514 -0.6222 0.1605 0.2466 0.3230 0.4132 1.2328 1.4196 1.6840 1.7861 1.9307 1.9455 2.0179 2.1686 2.4949 2.7779 2.9527 3.1383 3.2109 3.3357 3.7506 3.9092 4.1581 4.2322 6.9484 6.9613 7.6401 7.6859 7.7335 7.8383 8.0992 8.2373 k =-0.3103 0.4469 0.5440 ( 7252 PWs) bands (ev): -6.5380 -6.5363 -6.4467 -6.4453 -6.1510 -6.1490 -5.7554 -5.7552 -2.3637 -2.3571 -2.3284 -2.2870 -2.0804 -2.0279 -2.0029 -1.9734 -1.9627 -1.9441 -0.7514 -0.6222 0.1605 0.2466 0.3230 0.4132 1.2328 1.4196 1.6840 1.7861 1.9307 1.9455 2.0179 2.1686 2.4949 2.7779 2.9527 3.1383 3.2109 3.3357 3.7506 3.9092 4.1581 4.2322 6.9484 6.9613 7.6401 7.6859 7.7335 7.8383 8.0992 8.2373 k =-0.3009 0.4333 0.5275 ( 7248 PWs) bands (ev): -6.5489 -6.5474 -6.4290 -6.4276 -6.1539 -6.1518 -5.7562 -5.7560 -2.3637 -2.3568 -2.3271 -2.2863 -2.0784 -2.0278 -2.0027 -1.9717 -1.9627 -1.9436 -0.7624 -0.6363 0.1303 0.2499 0.3675 0.4237 1.2084 1.3873 1.6749 1.7688 1.9152 1.9310 2.0097 2.1378 2.4930 2.7854 2.9634 3.1217 3.2108 3.3621 3.7577 3.9040 4.1637 4.2359 6.9878 7.0059 7.6748 7.7189 7.7622 7.8587 8.1605 8.2973 k =-0.2915 0.4198 0.5110 ( 7252 PWs) bands (ev): -6.5685 -6.5671 -6.4066 -6.4053 -6.1515 -6.1494 -5.7571 -5.7569 -2.3633 -2.3564 -2.3255 -2.2857 -2.0761 -2.0279 -2.0024 -1.9703 -1.9625 -1.9431 -0.7762 -0.6542 0.0901 0.2244 0.4253 0.4631 1.1851 1.3572 1.6635 1.7549 1.8958 1.9217 2.0039 2.1060 2.4953 2.7937 2.9741 3.1038 3.2207 3.3930 3.7612 3.8951 4.1677 4.2376 7.0266 7.0501 7.7018 7.7468 7.7873 7.8676 8.2176 8.3485 k =-0.2821 0.4062 0.4946 ( 7252 PWs) bands (ev): -6.5940 -6.5927 -6.3814 -6.3802 -6.1447 -6.1427 -5.7581 -5.7579 -2.3627 -2.3559 -2.3238 -2.2853 -2.0733 -2.0279 -2.0019 -1.9693 -1.9618 -1.9427 -0.7927 -0.6755 0.0467 0.1868 0.4870 0.5151 1.1633 1.3304 1.6488 1.7446 1.8755 1.9155 2.0004 2.0738 2.5010 2.8018 2.9847 3.0893 3.2387 3.4267 3.7607 3.8822 4.1700 4.2375 7.0643 7.0932 7.7201 7.7702 7.8108 7.8693 8.2704 8.3930 k =-0.2727 0.3927 0.4781 ( 7254 PWs) bands (ev): -6.6234 -6.6222 -6.3546 -6.3534 -6.1345 -6.1325 -5.7592 -5.7590 -2.3617 -2.3553 -2.3218 -2.2850 -2.0702 -2.0281 -2.0014 -1.9690 -1.9608 -1.9423 -0.8113 -0.6994 0.0025 0.1450 0.5478 0.5724 1.1437 1.3080 1.6307 1.7372 1.8568 1.9106 1.9988 2.0424 2.5098 2.8091 2.9954 3.0811 3.2635 3.4623 3.7562 3.8649 4.1707 4.2357 7.1008 7.1347 7.7307 7.7889 7.8310 7.8714 8.3187 8.4321 k =-0.2633 0.3792 0.4616 ( 7254 PWs) bands (ev): -6.6554 -6.6544 -6.3267 -6.3256 -6.1215 -6.1196 -5.7605 -5.7602 -2.3604 -2.3546 -2.3197 -2.2847 -2.0669 -2.0283 -2.0007 -1.9691 -1.9593 -1.9421 -0.8317 -0.7256 -0.0416 0.1017 0.6036 0.6328 1.1273 1.2910 1.6096 1.7309 1.8417 1.9053 1.9989 2.0131 2.5214 2.8150 3.0068 3.0806 3.2937 3.4986 3.7476 3.8430 4.1699 4.2325 7.1358 7.1742 7.7364 7.8005 7.8431 7.8855 8.3616 8.4666 k =-0.2538 0.3656 0.4451 ( 7260 PWs) bands (ev): -6.6891 -6.6882 -6.2980 -6.2969 -6.1064 -6.1046 -5.7618 -5.7615 -2.3589 -2.3537 -2.3175 -2.2847 -2.0632 -2.0285 -1.9999 -1.9695 -1.9578 -1.9419 -0.8535 -0.7534 -0.0854 0.0581 0.6527 0.6932 1.1159 1.2809 1.5863 1.7240 1.8310 1.8978 1.9877 2.0006 2.5358 2.8199 3.0190 3.0879 3.3283 3.5348 3.7355 3.8167 4.1680 4.2284 7.1695 7.2115 7.7398 7.8013 7.8558 7.9106 8.3979 8.4963 k =-0.2444 0.3521 0.4286 ( 7248 PWs) bands (ev): -6.7238 -6.7230 -6.2688 -6.2677 -6.0898 -6.0880 -5.7632 -5.7629 -2.3571 -2.3527 -2.3152 -2.2846 -2.0593 -2.0288 -1.9990 -1.9701 -1.9561 -1.9418 -0.8765 -0.7824 -0.1284 0.0146 0.6944 0.7491 1.1121 1.2786 1.5619 1.7156 1.8247 1.8860 1.9687 2.0035 2.5533 2.8247 3.0319 3.1024 3.3661 3.5685 3.7213 3.7863 4.1654 4.2241 7.2018 7.2464 7.7432 7.7952 7.8750 7.9402 8.4259 8.5200 k =-0.2350 0.3385 0.4121 ( 7256 PWs) bands (ev): -6.7590 -6.7582 -6.2392 -6.2382 -6.0721 -6.0704 -5.7647 -5.7644 -2.3551 -2.3515 -2.3128 -2.2848 -2.0552 -2.0291 -1.9982 -1.9708 -1.9544 -1.9418 -0.9003 -0.8123 -0.1705 -0.0284 0.7280 0.7961 1.1197 1.2849 1.5374 1.7054 1.8210 1.8701 1.9565 2.0076 2.5741 2.8305 3.0444 3.1230 3.4060 3.5952 3.7083 3.7538 4.1631 4.2204 7.2332 7.2791 7.7482 7.7882 7.8991 7.9723 8.4431 8.5358 k =-0.2256 0.3250 0.3956 ( 7254 PWs) bands (ev): -6.7942 -6.7935 -6.2094 -6.2084 -6.0535 -6.0519 -5.7663 -5.7660 -2.3531 -2.3501 -2.3104 -2.2850 -2.0510 -2.0294 -1.9972 -1.9715 -1.9528 -1.9419 -0.9246 -0.8426 -0.2117 -0.0708 0.7532 0.8301 1.1423 1.2990 1.5140 1.6941 1.8159 1.8544 1.9497 2.0130 2.5979 2.8383 3.0555 3.1488 3.4460 3.6057 3.6956 3.7307 4.1620 4.2181 7.2640 7.3101 7.7558 7.7837 7.9267 8.0064 8.4471 8.5413 k =-0.2162 0.3114 0.3792 ( 7258 PWs) bands (ev): -6.8292 -6.8285 -6.1795 -6.1785 -6.0344 -6.0329 -5.7680 -5.7677 -2.3511 -2.3482 -2.3079 -2.2852 -2.0466 -2.0297 -1.9963 -1.9723 -1.9512 -1.9420 -0.9492 -0.8731 -0.2517 -0.1124 0.7706 0.8504 1.1802 1.3183 1.4937 1.6826 1.8036 1.8450 1.9469 2.0197 2.6245 2.8486 3.0644 3.1785 3.4823 3.5954 3.6685 3.7407 4.1635 4.2182 7.2944 7.3398 7.7664 7.7833 7.9570 8.0418 8.4350 8.5338 k =-0.2068 0.2979 0.3627 ( 7256 PWs) bands (ev): -6.8637 -6.8631 -6.1497 -6.1487 -6.0150 -6.0135 -5.7697 -5.7694 -2.3493 -2.3459 -2.3055 -2.2856 -2.0422 -2.0299 -1.9955 -1.9731 -1.9497 -1.9423 -0.9737 -0.9034 -0.2906 -0.1532 0.7818 0.8599 1.2304 1.3377 1.4795 1.6720 1.7852 1.8410 1.9477 2.0277 2.6530 2.8608 3.0705 3.2103 3.5051 3.5699 3.6494 3.7668 4.1690 4.2215 7.3248 7.3687 7.7789 7.7895 7.9889 8.0781 8.4050 8.5109 k =-0.1974 0.2844 0.3462 ( 7244 PWs) bands (ev): -6.8975 -6.8969 -6.1201 -6.1191 -5.9955 -5.9940 -5.7715 -5.7712 -2.3476 -2.3431 -2.3032 -2.2860 -2.0377 -2.0300 -1.9946 -1.9739 -1.9483 -1.9426 -0.9981 -0.9333 -0.3282 -0.1931 0.7885 0.8630 1.2876 1.3502 1.4755 1.6638 1.7652 1.8374 1.9523 2.0370 2.6824 2.8738 3.0736 3.2420 3.5026 3.5329 3.6618 3.7968 4.1797 4.2289 7.3551 7.3970 7.7907 7.8053 8.0209 8.1138 8.3565 8.4713 k =-0.1880 0.2708 0.3297 ( 7256 PWs) bands (ev): -6.9304 -6.9299 -6.0908 -6.0898 -5.9759 -5.9745 -5.7733 -5.7731 -2.3459 -2.3402 -2.3010 -2.2864 -2.0338 -2.0294 -1.9938 -1.9747 -1.9471 -1.9430 -1.0220 -0.9625 -0.3645 -0.2320 0.7926 0.8630 1.3406 1.3586 1.4819 1.6600 1.7468 1.8320 1.9609 2.0475 2.7115 2.8856 3.0737 3.2692 3.4807 3.4947 3.6990 3.8275 4.1966 4.2407 7.3849 7.4247 7.8044 7.8274 8.0497 8.1464 8.2922 8.4155 k =-0.1786 0.2573 0.3132 ( 7246 PWs) bands (ev): -6.9624 -6.9619 -6.0619 -6.0610 -5.9565 -5.9552 -5.7752 -5.7749 -2.3442 -2.3370 -2.2989 -2.2869 -2.0320 -2.0267 -1.9931 -1.9755 -1.9461 -1.9434 -1.0453 -0.9909 -0.3994 -0.2699 0.7954 0.8624 1.3396 1.4123 1.4914 1.6621 1.7325 1.8250 1.9730 2.0591 2.7387 2.8939 3.0703 3.2824 3.4534 3.4698 3.7471 3.8588 4.2199 4.2574 7.4134 7.4509 7.8215 7.8530 8.0678 8.1638 8.2257 8.3474 k =-0.1692 0.2437 0.2967 ( 7240 PWs) bands (ev): -6.9932 -6.9928 -6.0335 -6.0327 -5.9374 -5.9362 -5.7771 -5.7768 -2.3425 -2.3338 -2.2969 -2.2874 -2.0316 -2.0224 -1.9923 -1.9762 -1.9453 -1.9438 -1.0678 -1.0182 -0.4328 -0.3066 0.7982 0.8625 1.3280 1.4684 1.4971 1.6684 1.7268 1.8178 1.9880 2.0713 2.7629 2.8966 3.0622 3.2667 3.4473 3.4568 3.8003 3.8916 4.2494 4.2789 7.4391 7.4739 7.8405 7.8792 8.0493 8.1258 8.1971 8.2805 k =-0.1598 0.2302 0.2802 ( 7244 PWs) bands (ev): -7.0228 -7.0225 -6.0059 -6.0051 -5.9187 -5.9175 -5.7790 -5.7787 -2.3407 -2.3305 -2.2951 -2.2879 -2.0315 -2.0178 -1.9916 -1.9769 -1.9452 -1.9437 -1.0895 -1.0444 -0.4647 -0.3422 0.8017 0.8641 1.3156 1.4936 1.5181 1.6752 1.7336 1.8129 2.0050 2.0838 2.7827 2.8929 3.0475 3.2239 3.4531 3.4696 3.8568 3.9271 4.2840 4.3050 7.4590 7.4904 7.8545 7.8969 7.9773 8.0671 8.1427 8.2218 k =-0.1504 0.2167 0.2638 ( 7246 PWs) bands (ev): -7.0511 -7.0508 -5.9790 -5.9783 -5.9006 -5.8994 -5.7809 -5.7806 -2.3389 -2.3273 -2.2936 -2.2884 -2.0314 -2.0133 -1.9908 -1.9776 -1.9457 -1.9433 -1.1101 -1.0692 -0.4951 -0.3766 0.8067 0.8680 1.3039 1.4881 1.5479 1.6856 1.7498 1.8137 2.0232 2.0961 2.7976 2.8836 3.0255 3.1685 3.4663 3.5019 3.9158 3.9669 4.3227 4.3351 7.4685 7.4946 7.8359 7.8558 7.9274 8.0141 8.0789 8.1381 k =-0.1410 0.2031 0.2473 ( 7242 PWs) bands (ev): -7.0781 -7.0777 -5.9531 -5.9524 -5.8830 -5.8819 -5.7827 -5.7824 -2.3371 -2.3241 -2.2922 -2.2888 -2.0311 -2.0088 -1.9900 -1.9782 -1.9465 -1.9429 -1.1296 -1.0927 -0.5237 -0.4098 0.8134 0.8744 1.2939 1.4791 1.5586 1.6978 1.7729 1.8228 2.0416 2.1073 2.8071 2.8699 2.9974 3.1094 3.4922 3.5401 3.9769 4.0118 4.3640 4.3691 7.4603 7.4781 7.7503 7.7662 7.8978 8.0065 8.0334 8.0954 k =-0.1316 0.1896 0.2308 ( 7246 PWs) bands (ev): -7.1035 -7.1032 -5.9282 -5.9276 -5.8661 -5.8651 -5.7845 -5.7841 -2.3352 -2.3211 -2.2911 -2.2893 -2.0308 -2.0045 -1.9889 -1.9788 -1.9473 -1.9426 -1.1480 -1.1147 -0.5507 -0.4416 0.8221 0.8835 1.2858 1.4686 1.5571 1.7021 1.8032 1.8390 2.0591 2.1166 2.8113 2.8535 2.9663 3.0514 3.5280 3.5812 4.0398 4.0623 4.4041 4.4088 7.4239 7.4356 7.6464 7.6602 7.8598 7.9774 8.0379 8.1144 k =-0.1222 0.1760 0.2143 ( 7254 PWs) bands (ev): -7.1274 -7.1272 -5.9045 -5.9039 -5.8501 -5.8491 -5.7862 -5.7858 -2.3333 -2.3182 -2.2902 -2.2896 -2.0303 -2.0006 -1.9876 -1.9794 -1.9482 -1.9425 -1.1651 -1.1351 -0.5758 -0.4721 0.8329 0.8955 1.2799 1.4576 1.5507 1.6989 1.8298 1.8631 2.0741 2.1231 2.8091 2.8364 2.9355 2.9990 3.5707 3.6238 4.1043 4.1184 4.4429 4.4527 7.3524 7.3724 7.5407 7.5495 7.8338 7.9423 8.0764 8.1537 k =-0.1128 0.1625 0.1978 ( 7256 PWs) bands (ev): -7.1498 -7.1495 -5.8822 -5.8816 -5.8349 -5.8340 -5.7877 -5.7873 -2.3315 -2.3155 -2.2901 -2.2894 -2.0297 -1.9973 -1.9860 -1.9798 -1.9492 -1.9426 -1.1809 -1.1540 -0.5991 -0.5011 0.8459 0.9104 1.2760 1.4467 1.5432 1.6925 1.8437 1.8940 2.0848 2.1261 2.7945 2.8256 2.9064 2.9578 3.6173 3.6669 4.1701 4.1798 4.4826 4.4970 7.2595 7.2889 7.4354 7.4403 7.8188 7.9207 8.1211 8.1996 k =-0.1034 0.1490 0.1813 ( 7256 PWs) bands (ev): -7.1705 -7.1703 -5.8612 -5.8606 -5.8208 -5.8199 -5.7891 -5.7886 -2.3296 -2.3131 -2.2904 -2.2889 -2.0289 -1.9948 -1.9842 -1.9797 -1.9502 -1.9428 -1.1953 -1.1714 -0.6204 -0.5286 0.8609 0.9281 1.2739 1.4368 1.5363 1.6853 1.8491 1.9219 2.0886 2.1256 2.7681 2.8215 2.8801 2.9328 3.6655 3.7097 4.2372 4.2455 4.5229 4.5407 7.1568 7.1913 7.3324 7.3352 7.8067 7.9042 8.1687 8.2481 k =-0.0940 0.1354 0.1649 ( 7244 PWs) bands (ev): -7.1895 -7.1893 -5.8419 -5.8414 -5.8078 -5.8069 -5.7900 -5.7895 -2.3277 -2.3110 -2.2906 -2.2887 -2.0279 -1.9933 -1.9829 -1.9784 -1.9512 -1.9430 -1.2084 -1.1871 -0.6397 -0.5545 0.8779 0.9483 1.2733 1.4287 1.5304 1.6787 1.8483 1.9414 2.0829 2.1225 2.7388 2.8153 2.8641 2.9217 3.7134 3.7515 4.3059 4.3140 4.5630 4.5831 7.0505 7.0865 7.2336 7.2356 7.7916 7.8851 8.2175 8.2971 k =-0.0846 0.1219 0.1484 ( 7256 PWs) bands (ev): -7.2069 -7.2067 -5.8247 -5.8240 -5.7970 -5.7962 -5.7894 -5.7887 -2.3259 -2.3092 -2.2908 -2.2886 -2.0267 -1.9926 -1.9820 -1.9761 -1.9521 -1.9434 -1.2202 -1.2013 -0.6570 -0.5788 0.8967 0.9707 1.2735 1.4236 1.5253 1.6732 1.8430 1.9500 2.0676 2.1158 2.7124 2.8026 2.8649 2.9196 3.7597 3.7917 4.3761 4.3838 4.6023 4.6236 6.9440 6.9793 7.1407 7.1424 7.7709 7.8594 8.2664 8.3450 k =-0.0752 0.1083 0.1319 ( 7242 PWs) bands (ev): -7.2224 -7.2223 -5.8105 -5.8098 -5.7916 -5.7913 -5.7824 -5.7821 -2.3240 -2.3078 -2.2910 -2.2886 -2.0253 -1.9929 -1.9810 -1.9733 -1.9530 -1.9439 -1.2305 -1.2140 -0.6721 -0.6014 0.9168 0.9948 1.2740 1.4226 1.5205 1.6694 1.8345 1.9469 2.0456 2.1028 2.6932 2.7889 2.8767 2.9234 3.8033 3.8294 4.4469 4.4538 4.6402 4.6617 6.8399 6.8730 7.0549 7.0566 7.7448 7.8267 8.3144 8.3903 k =-0.0658 0.0948 0.1154 ( 7242 PWs) bands (ev): -7.2363 -7.2361 -5.8026 -5.8019 -5.7855 -5.7850 -5.7732 -5.7728 -2.3222 -2.3068 -2.2911 -2.2887 -2.0237 -1.9938 -1.9798 -1.9706 -1.9538 -1.9444 -1.2395 -1.2251 -0.6850 -0.6221 0.9381 1.0196 1.2745 1.4266 1.5151 1.6675 1.8245 1.9325 2.0204 2.0821 2.6827 2.7777 2.8936 2.9312 3.8433 3.8641 4.5168 4.5226 4.6763 4.6968 6.7401 6.7701 6.9774 6.9788 7.7149 7.7888 8.3609 8.4319 k =-0.0564 0.0812 0.0989 ( 7246 PWs) bands (ev): -7.2483 -7.2482 -5.8005 -5.8001 -5.7753 -5.7750 -5.7647 -5.7644 -2.3203 -2.3062 -2.2911 -2.2889 -2.0220 -1.9952 -1.9783 -1.9684 -1.9543 -1.9449 -1.2471 -1.2349 -0.6956 -0.6410 0.9601 1.0438 1.2755 1.4362 1.5076 1.6675 1.8148 1.9087 1.9947 2.0537 2.6804 2.7694 2.9128 2.9416 3.8791 3.8953 4.5842 4.5886 4.7101 4.7288 6.6466 6.6730 6.9086 6.9098 7.6837 7.7483 8.4051 8.4688 k =-0.0470 0.0677 0.0824 ( 7234 PWs) bands (ev): -7.2585 -7.2584 -5.8003 -5.8000 -5.7652 -5.7649 -5.7574 -5.7571 -2.3185 -2.3060 -2.2911 -2.2891 -2.0200 -1.9970 -1.9767 -1.9669 -1.9543 -1.9455 -1.2533 -1.2432 -0.7040 -0.6579 0.9823 1.0655 1.2787 1.4510 1.4972 1.6689 1.8067 1.8800 1.9693 2.0195 2.6846 2.7632 2.9322 2.9533 3.9102 3.9225 4.6468 4.6493 4.7417 4.7576 6.5613 6.5837 6.8494 6.8503 7.6536 7.7083 8.4463 8.5003 k =-0.0376 0.0542 0.0659 ( 7232 PWs) bands (ev): -7.2669 -7.2668 -5.8005 -5.8004 -5.7565 -5.7563 -5.7514 -5.7511 -2.3167 -2.3062 -2.2910 -2.2893 -2.0179 -1.9990 -1.9751 -1.9662 -1.9539 -1.9461 -1.2582 -1.2501 -0.7100 -0.6727 1.0042 1.0823 1.2861 1.4665 1.4866 1.6701 1.8002 1.8536 1.9439 1.9821 2.6930 2.7581 2.9502 2.9649 3.9361 3.9452 4.7011 4.7018 4.7718 4.7837 6.4865 6.5047 6.8000 6.8007 7.6269 7.6712 8.4836 8.5255 k =-0.0282 0.0406 0.0495 ( 7215 PWs) bands (ev): -7.2734 -7.2734 -5.8009 -5.8008 -5.7495 -5.7494 -5.7466 -5.7464 -2.3150 -2.3068 -2.2908 -2.2895 -2.0157 -2.0012 -1.9735 -1.9662 -1.9529 -1.9468 -1.2617 -1.2557 -0.7136 -0.6854 1.0253 1.0918 1.2999 1.4560 1.5017 1.6666 1.7943 1.8389 1.9178 1.9447 2.7034 2.7533 2.9656 2.9752 3.9568 3.9631 4.7414 4.7438 4.8012 4.8082 6.4247 6.4385 6.7611 6.7616 7.6055 7.6389 8.5159 8.5446 k =-0.0188 0.0271 0.0330 ( 7215 PWs) bands (ev): -7.2781 -7.2780 -5.8011 -5.8011 -5.7445 -5.7444 -5.7432 -5.7430 -2.3133 -2.3077 -2.2906 -2.2898 -2.0133 -2.0036 -1.9719 -1.9668 -1.9518 -1.9476 -1.2640 -1.2599 -0.7148 -0.6959 1.0450 1.0935 1.3204 1.4320 1.5298 1.6522 1.7943 1.8389 1.8894 1.9114 2.7143 2.7480 2.9774 2.9831 3.9718 3.9758 4.7675 4.7711 4.8281 4.8312 6.3785 6.3878 6.7331 6.7333 7.5908 7.6132 8.5425 8.5583 k =-0.0094 0.0135 0.0165 ( 7213 PWs) bands (ev): -7.2809 -7.2809 -5.8013 -5.8013 -5.7415 -5.7414 -5.7411 -5.7410 -2.3117 -2.3088 -2.2904 -2.2900 -2.0109 -2.0060 -1.9704 -1.9678 -1.9506 -1.9484 -1.2649 -1.2629 -0.7136 -0.7041 1.0626 1.0882 1.3462 1.4042 1.5616 1.6265 1.8065 1.8484 1.8587 1.8851 2.7247 2.7416 2.9852 2.9878 3.9813 3.9832 4.7822 4.7846 4.8473 4.8484 6.3505 6.3551 6.7161 6.7162 7.5838 7.5950 8.5625 8.5673 k = 0.0000 0.0000 0.0000 ( 7213 PWs) bands (ev): -7.2818 -7.2818 -5.8014 -5.8014 -5.7404 -5.7404 -5.7404 -5.7404 -2.3102 -2.3102 -2.2902 -2.2902 -2.0085 -2.0085 -1.9690 -1.9690 -1.9495 -1.9495 -1.2645 -1.2645 -0.7100 -0.7100 1.0774 1.0774 1.3749 1.3749 1.5947 1.5947 1.8293 1.8293 1.8645 1.8645 2.7338 2.7338 2.9887 2.9887 3.9851 3.9851 4.7878 4.7878 4.8545 4.8545 6.3425 6.3425 6.7105 6.7105 7.5851 7.5851 8.5716 8.5716 k = 0.0000 0.0000 0.0000 ( 7213 PWs) bands (ev): -7.2818 -7.2818 -5.8014 -5.8014 -5.7404 -5.7404 -5.7404 -5.7404 -2.3102 -2.3102 -2.2902 -2.2902 -2.0085 -2.0085 -1.9690 -1.9690 -1.9495 -1.9495 -1.2645 -1.2645 -0.7100 -0.7100 1.0774 1.0774 1.3749 1.3749 1.5947 1.5947 1.8293 1.8293 1.8645 1.8645 2.7338 2.7338 2.9887 2.9887 3.9851 3.9851 4.7878 4.7878 4.8545 4.8545 6.3425 6.3425 6.7105 6.7105 7.5851 7.5851 8.5716 8.5716 k = 0.0185 0.0129-0.0000 ( 7233 PWs) bands (ev): -7.2809 -7.2809 -5.8032 -5.8032 -5.7405 -5.7405 -5.7404 -5.7404 -2.3104 -2.3104 -2.2903 -2.2903 -2.0088 -2.0088 -1.9690 -1.9690 -1.9495 -1.9495 -1.2617 -1.2617 -0.7108 -0.7108 1.0788 1.0788 1.3756 1.3756 1.5955 1.5955 1.8035 1.8035 1.8933 1.8933 2.7346 2.7346 2.9892 2.9892 3.9817 3.9817 4.7800 4.7800 4.8519 4.8519 6.3500 6.3500 6.7133 6.7133 7.5857 7.5857 8.5591 8.5591 k = 0.0370 0.0257-0.0000 ( 7221 PWs) bands (ev): -7.2782 -7.2782 -5.8086 -5.8086 -5.7406 -5.7406 -5.7405 -5.7405 -2.3110 -2.3110 -2.2906 -2.2906 -2.0095 -2.0095 -1.9691 -1.9691 -1.9497 -1.9497 -1.2534 -1.2534 -0.7130 -0.7130 1.0828 1.0828 1.3780 1.3780 1.5977 1.5977 1.7693 1.7693 1.9368 1.9368 2.7368 2.7368 2.9909 2.9909 3.9714 3.9714 4.7573 4.7573 4.8443 4.8443 6.3718 6.3718 6.7217 6.7217 7.5873 7.5873 8.5238 8.5238 k = 0.0556 0.0386-0.0000 ( 7229 PWs) bands (ev): -7.2737 -7.2737 -5.8177 -5.8177 -5.7408 -5.7408 -5.7407 -5.7407 -2.3120 -2.3120 -2.2910 -2.2910 -2.0107 -2.0107 -1.9692 -1.9691 -1.9500 -1.9500 -1.2397 -1.2397 -0.7166 -0.7166 1.0891 1.0891 1.3818 1.3818 1.6009 1.6009 1.7387 1.7387 1.9835 1.9835 2.7404 2.7404 2.9937 2.9937 3.9543 3.9543 4.7215 4.7215 4.8316 4.8316 6.4057 6.4057 6.7359 6.7359 7.5896 7.5896 8.4693 8.4693 k = 0.0741 0.0514-0.0000 ( 7217 PWs) bands (ev): -7.2675 -7.2675 -5.8302 -5.8302 -5.7411 -5.7411 -5.7410 -5.7410 -2.3134 -2.3134 -2.2915 -2.2915 -2.0123 -2.0123 -1.9693 -1.9693 -1.9504 -1.9504 -1.2210 -1.2210 -0.7212 -0.7212 1.0971 1.0971 1.3873 1.3873 1.6042 1.6042 1.7142 1.7142 2.0323 2.0323 2.7454 2.7454 2.9975 2.9976 3.9304 3.9304 4.6752 4.6752 4.8142 4.8142 6.4488 6.4488 6.7564 6.7564 7.5919 7.5919 8.3994 8.3994 k = 0.0926 0.0643-0.0000 ( 7225 PWs) bands (ev): -7.2594 -7.2594 -5.8461 -5.8461 -5.7414 -5.7414 -5.7414 -5.7414 -2.3151 -2.3151 -2.2922 -2.2922 -2.0141 -2.0141 -1.9695 -1.9695 -1.9509 -1.9509 -1.1979 -1.1979 -0.7266 -0.7266 1.1059 1.1059 1.3944 1.3944 1.6060 1.6060 1.6981 1.6981 2.0825 2.0825 2.7517 2.7517 3.0023 3.0023 3.8998 3.8998 4.6213 4.6213 4.7924 4.7924 6.4977 6.4977 6.7836 6.7836 7.5932 7.5932 8.3173 8.3173 k = 0.1111 0.0771-0.0000 ( 7225 PWs) bands (ev): -7.2496 -7.2496 -5.8652 -5.8652 -5.7419 -5.7419 -5.7418 -5.7418 -2.3171 -2.3171 -2.2930 -2.2930 -2.0161 -2.0161 -1.9699 -1.9699 -1.9515 -1.9515 -1.1710 -1.1710 -0.7321 -0.7321 1.1144 1.1144 1.4034 1.4034 1.6051 1.6051 1.6922 1.6922 2.1339 2.1339 2.7592 2.7592 3.0077 3.0077 3.8625 3.8625 4.5625 4.5625 4.7665 4.7665 6.5491 6.5491 6.8179 6.8179 7.5924 7.5924 8.2261 8.2261 k = 0.1296 0.0900-0.0000 ( 7237 PWs) bands (ev): -7.2381 -7.2381 -5.8873 -5.8873 -5.7423 -5.7423 -5.7423 -5.7422 -2.3193 -2.3193 -2.2938 -2.2938 -2.0181 -2.0181 -1.9704 -1.9704 -1.9522 -1.9522 -1.1412 -1.1412 -0.7371 -0.7371 1.1215 1.1215 1.4147 1.4147 1.6025 1.6025 1.6960 1.6960 2.1862 2.1862 2.7677 2.7678 3.0137 3.0137 3.8188 3.8188 4.5014 4.5014 4.7370 4.7370 6.6003 6.6003 6.8594 6.8594 7.5879 7.5879 8.1284 8.1284 k = 0.1481 0.1029-0.0000 ( 7229 PWs) bands (ev): -7.2248 -7.2248 -5.9123 -5.9123 -5.7429 -5.7429 -5.7428 -5.7428 -2.3217 -2.3217 -2.2947 -2.2947 -2.0202 -2.0202 -1.9710 -1.9710 -1.9529 -1.9529 -1.1096 -1.1096 -0.7407 -0.7407 1.1259 1.1259 1.4287 1.4287 1.6009 1.6009 1.7071 1.7071 2.2390 2.2390 2.7773 2.7773 3.0199 3.0200 3.7692 3.7692 4.4398 4.4398 4.7044 4.7044 6.6497 6.6497 6.9075 6.9075 7.5781 7.5781 8.0263 8.0263 k = 0.1667 0.1157-0.0000 ( 7220 PWs) bands (ev): -7.2098 -7.2098 -5.9400 -5.9400 -5.7435 -5.7434 -5.7434 -5.7434 -2.3241 -2.3241 -2.2956 -2.2956 -2.0221 -2.0221 -1.9717 -1.9717 -1.9537 -1.9537 -1.0779 -1.0779 -0.7414 -0.7414 1.1269 1.1269 1.4458 1.4458 1.6026 1.6026 1.7229 1.7229 2.2921 2.2921 2.7875 2.7875 3.0262 3.0262 3.7142 3.7142 4.3793 4.3793 4.6692 4.6692 6.6965 6.6965 6.9608 6.9608 7.5612 7.5612 7.9217 7.9217 k = 0.1852 0.1286-0.0000 ( 7220 PWs) bands (ev): -7.1931 -7.1931 -5.9700 -5.9700 -5.7441 -5.7441 -5.7440 -5.7440 -2.3266 -2.3266 -2.2966 -2.2966 -2.0240 -2.0240 -1.9726 -1.9726 -1.9546 -1.9546 -1.0478 -1.0478 -0.7377 -0.7377 1.1242 1.1242 1.4662 1.4662 1.6085 1.6085 1.7422 1.7422 2.3451 2.3451 2.7983 2.7983 3.0320 3.0320 3.6549 3.6549 4.3211 4.3211 4.6319 4.6319 6.7411 6.7411 7.0173 7.0173 7.5363 7.5363 7.8162 7.8162 k = 0.2037 0.1414-0.0000 ( 7224 PWs) bands (ev): -7.1748 -7.1748 -6.0022 -6.0022 -5.7447 -5.7447 -5.7446 -5.7446 -2.3290 -2.3290 -2.2976 -2.2976 -2.0258 -2.0258 -1.9736 -1.9736 -1.9555 -1.9555 -1.0219 -1.0219 -0.7274 -0.7274 1.1180 1.1180 1.4895 1.4895 1.6185 1.6185 1.7641 1.7641 2.3978 2.3978 2.8094 2.8094 3.0367 3.0367 3.5925 3.5925 4.2660 4.2660 4.5931 4.5931 6.7836 6.7836 7.0751 7.0751 7.5028 7.5028 7.7109 7.7109 k = 0.2222 0.1543-0.0000 ( 7228 PWs) bands (ev): -7.1548 -7.1548 -6.0364 -6.0364 -5.7454 -5.7454 -5.7453 -5.7453 -2.3314 -2.3314 -2.2986 -2.2986 -2.0274 -2.0274 -1.9746 -1.9746 -1.9564 -1.9564 -1.0020 -1.0020 -0.7089 -0.7089 1.1091 1.1091 1.5150 1.5150 1.6326 1.6326 1.7881 1.7881 2.4499 2.4499 2.8205 2.8205 3.0399 3.0399 3.5286 3.5286 4.2145 4.2145 4.5533 4.5533 6.8242 6.8242 7.1319 7.1319 7.4607 7.4607 7.6071 7.6071 k = 0.2407 0.1671-0.0000 ( 7220 PWs) bands (ev): -7.1333 -7.1333 -6.0723 -6.0723 -5.7461 -5.7461 -5.7460 -5.7460 -2.3336 -2.3336 -2.2996 -2.2996 -2.0289 -2.0289 -1.9758 -1.9758 -1.9573 -1.9573 -0.9892 -0.9892 -0.6816 -0.6816 1.0981 1.0981 1.5417 1.5417 1.6503 1.6503 1.8137 1.8137 2.5009 2.5009 2.8312 2.8312 3.0404 3.0404 3.4652 3.4652 4.1668 4.1668 4.5131 4.5131 6.8623 6.8623 7.1853 7.1853 7.4109 7.4109 7.5056 7.5056 k = 0.2593 0.1800-0.0000 ( 7244 PWs) bands (ev): -7.1103 -7.1103 -6.1096 -6.1096 -5.7468 -5.7468 -5.7467 -5.7467 -2.3358 -2.3358 -2.3006 -2.3006 -2.0302 -2.0302 -1.9770 -1.9770 -1.9583 -1.9583 -0.9828 -0.9828 -0.6463 -0.6463 1.0860 1.0860 1.5685 1.5685 1.6711 1.6712 1.8406 1.8406 2.5505 2.5505 2.8412 2.8412 3.0372 3.0372 3.4045 3.4045 4.1233 4.1233 4.4730 4.4730 6.8967 6.8967 7.2288 7.2288 7.3559 7.3559 7.4079 7.4079 k = 0.2778 0.1929-0.0000 ( 7232 PWs) bands (ev): -7.0857 -7.0857 -6.1481 -6.1481 -5.7475 -5.7475 -5.7474 -5.7474 -2.3378 -2.3378 -2.3016 -2.3016 -2.0314 -2.0314 -1.9782 -1.9782 -1.9592 -1.9592 -0.9816 -0.9816 -0.6050 -0.6050 1.0735 1.0735 1.5944 1.5944 1.6949 1.6949 1.8684 1.8684 2.5982 2.5982 2.8498 2.8498 3.0291 3.0291 3.3493 3.3493 4.0840 4.0840 4.4337 4.4337 6.9247 6.9247 7.2350 7.2350 7.3011 7.3011 7.3289 7.3289 k = 0.2963 0.2057-0.0000 ( 7244 PWs) bands (ev): -7.0598 -7.0598 -6.1877 -6.1877 -5.7482 -5.7482 -5.7481 -5.7481 -2.3396 -2.3396 -2.3026 -2.3026 -2.0324 -2.0324 -1.9795 -1.9795 -1.9602 -1.9602 -0.9838 -0.9838 -0.5597 -0.5597 1.0611 1.0611 1.6186 1.6186 1.7208 1.7208 1.8966 1.8966 2.6435 2.6435 2.8562 2.8562 3.0151 3.0151 3.3022 3.3022 4.0490 4.0490 4.3955 4.3955 6.9422 6.9422 7.1806 7.1806 7.2177 7.2178 7.2756 7.2756 k = 0.3148 0.2186-0.0000 ( 7252 PWs) bands (ev): -7.0325 -7.0325 -6.2279 -6.2279 -5.7488 -5.7488 -5.7487 -5.7487 -2.3413 -2.3413 -2.3035 -2.3035 -2.0333 -2.0333 -1.9808 -1.9808 -1.9610 -1.9610 -0.9882 -0.9882 -0.5123 -0.5123 1.0493 1.0493 1.6405 1.6405 1.7481 1.7481 1.9247 1.9247 2.6855 2.6855 2.8590 2.8590 2.9962 2.9962 3.2649 3.2649 4.0185 4.0185 4.3591 4.3591 6.9432 6.9432 7.1082 7.1082 7.1361 7.1361 7.1930 7.1930 k = 0.3333 0.2314-0.0000 ( 7244 PWs) bands (ev): -7.0040 -7.0040 -6.2686 -6.2686 -5.7494 -5.7494 -5.7493 -5.7493 -2.3427 -2.3427 -2.3044 -2.3044 -2.0340 -2.0340 -1.9820 -1.9820 -1.9619 -1.9619 -0.9938 -0.9938 -0.4645 -0.4645 1.0385 1.0385 1.6600 1.6600 1.7759 1.7759 1.9524 1.9524 2.7232 2.7232 2.8559 2.8559 2.9763 2.9764 3.2371 3.2371 3.9922 3.9922 4.3248 4.3248 6.9220 6.9220 7.0360 7.0360 7.0643 7.0643 7.1138 7.1138 k = 0.3519 0.2443-0.0000 ( 7232 PWs) bands (ev): -6.9744 -6.9744 -6.3095 -6.3095 -5.7500 -5.7500 -5.7499 -5.7499 -2.3440 -2.3440 -2.3053 -2.3053 -2.0346 -2.0346 -1.9832 -1.9832 -1.9626 -1.9626 -0.9999 -0.9999 -0.4176 -0.4176 1.0288 1.0288 1.6768 1.6768 1.8034 1.8034 1.9790 1.9790 2.7545 2.7545 2.8453 2.8453 2.9618 2.9618 3.2170 3.2170 3.9703 3.9703 4.2931 4.2931 6.8782 6.8782 6.9690 6.9690 7.0053 7.0053 7.0422 7.0422 k = 0.3704 0.2572-0.0000 ( 7232 PWs) bands (ev): -6.9439 -6.9439 -6.3503 -6.3503 -5.7505 -5.7505 -5.7504 -5.7504 -2.3452 -2.3452 -2.3060 -2.3060 -2.0352 -2.0352 -1.9843 -1.9843 -1.9633 -1.9633 -1.0060 -1.0060 -0.3728 -0.3728 1.0205 1.0205 1.6909 1.6909 1.8295 1.8295 2.0039 2.0039 2.7736 2.7736 2.8323 2.8323 2.9564 2.9564 3.2023 3.2023 3.9524 3.9524 4.2645 4.2645 6.8216 6.8216 6.9073 6.9073 6.9563 6.9563 6.9800 6.9800 k = 0.3889 0.2700-0.0000 ( 7228 PWs) bands (ev): -6.9127 -6.9127 -6.3906 -6.3906 -5.7510 -5.7510 -5.7509 -5.7509 -2.3461 -2.3461 -2.3067 -2.3067 -2.0356 -2.0356 -1.9853 -1.9853 -1.9639 -1.9639 -1.0118 -1.0118 -0.3313 -0.3313 1.0136 1.0136 1.7022 1.7022 1.8537 1.8537 2.0267 2.0267 2.7690 2.7690 2.8318 2.8318 2.9591 2.9591 3.1909 3.1909 3.9382 3.9382 4.2391 4.2391 6.7633 6.7633 6.8517 6.8517 6.9094 6.9094 6.9305 6.9305 k = 0.4074 0.2829-0.0000 ( 7252 PWs) bands (ev): -6.8813 -6.8813 -6.4300 -6.4300 -5.7514 -5.7514 -5.7513 -5.7513 -2.3469 -2.3469 -2.3074 -2.3074 -2.0359 -2.0359 -1.9863 -1.9863 -1.9645 -1.9645 -1.0170 -1.0170 -0.2940 -0.2940 1.0081 1.0081 1.7107 1.7107 1.8753 1.8753 2.0468 2.0468 2.7488 2.7488 2.8403 2.8403 2.9674 2.9674 3.1816 3.1816 3.9273 3.9273 4.2173 4.2173 6.7099 6.7099 6.8031 6.8031 6.8640 6.8640 6.8926 6.8926 k = 0.4259 0.2957-0.0000 ( 7260 PWs) bands (ev): -6.8501 -6.8501 -6.4677 -6.4677 -5.7518 -5.7518 -5.7517 -5.7517 -2.3476 -2.3476 -2.3079 -2.3079 -2.0362 -2.0362 -1.9871 -1.9871 -1.9650 -1.9650 -1.0215 -1.0215 -0.2620 -0.2620 1.0039 1.0039 1.7167 1.7167 1.8937 1.8937 2.0638 2.0638 2.7272 2.7272 2.8472 2.8473 2.9787 2.9787 3.1738 3.1738 3.9193 3.9193 4.1993 4.1993 6.6640 6.6640 6.7625 6.7625 6.8248 6.8248 6.8621 6.8621 k = 0.4444 0.3086-0.0000 ( 7244 PWs) bands (ev): -6.8204 -6.8204 -6.5026 -6.5026 -5.7520 -5.7520 -5.7519 -5.7519 -2.3481 -2.3481 -2.3083 -2.3083 -2.0363 -2.0363 -1.9877 -1.9877 -1.9653 -1.9653 -1.0251 -1.0251 -0.2361 -0.2361 1.0010 1.0010 1.7207 1.7207 1.9086 1.9086 2.0774 2.0774 2.7090 2.7090 2.8512 2.8512 2.9905 2.9905 3.1672 3.1672 3.9136 3.9136 4.1851 4.1851 6.6272 6.6272 6.7303 6.7303 6.7935 6.7935 6.8380 6.8380 k = 0.4630 0.3214-0.0000 ( 7264 PWs) bands (ev): -6.7940 -6.7940 -6.5327 -6.5327 -5.7522 -5.7522 -5.7521 -5.7521 -2.3484 -2.3484 -2.3086 -2.3086 -2.0364 -2.0364 -1.9882 -1.9882 -1.9656 -1.9656 -1.0277 -1.0277 -0.2171 -0.2171 0.9990 0.9990 1.7229 1.7229 1.9194 1.9194 2.0872 2.0872 2.6957 2.6957 2.8529 2.8529 3.0007 3.0007 3.1621 3.1621 3.9099 3.9099 4.1750 4.1750 6.6005 6.6005 6.7070 6.7070 6.7708 6.7708 6.8204 6.8204 k = 0.4815 0.3343-0.0000 ( 7248 PWs) bands (ev): -6.7746 -6.7746 -6.5543 -6.5543 -5.7524 -5.7524 -5.7522 -5.7522 -2.3486 -2.3486 -2.3087 -2.3087 -2.0365 -2.0365 -1.9884 -1.9884 -1.9657 -1.9657 -1.0293 -1.0293 -0.2054 -0.2054 0.9979 0.9979 1.7241 1.7241 1.9261 1.9261 2.0932 2.0932 2.6876 2.6876 2.8535 2.8535 3.0076 3.0076 3.1588 3.1588 3.9079 3.9079 4.1689 4.1689 6.5842 6.5842 6.6930 6.6930 6.7571 6.7571 6.8097 6.8097 k = 0.5000 0.3472-0.0000 ( 7248 PWs) bands (ev): -6.7673 -6.7673 -6.5624 -6.5624 -5.7524 -5.7524 -5.7523 -5.7523 -2.3487 -2.3487 -2.3088 -2.3088 -2.0365 -2.0365 -1.9885 -1.9885 -1.9658 -1.9658 -1.0299 -1.0299 -0.2015 -0.2015 0.9975 0.9975 1.7244 1.7244 1.9283 1.9283 2.0952 2.0952 2.6849 2.6849 2.8536 2.8536 3.0100 3.0100 3.1576 3.1576 3.9072 3.9072 4.1669 4.1669 6.5787 6.5787 6.6883 6.6883 6.7526 6.7526 6.8061 6.8061 k = 0.5000 0.3472-0.0000 ( 7248 PWs) bands (ev): -6.7673 -6.7673 -6.5624 -6.5624 -5.7524 -5.7524 -5.7523 -5.7523 -2.3487 -2.3487 -2.3088 -2.3088 -2.0365 -2.0365 -1.9885 -1.9885 -1.9658 -1.9658 -1.0299 -1.0299 -0.2015 -0.2015 0.9975 0.9975 1.7244 1.7244 1.9283 1.9283 2.0952 2.0952 2.6849 2.6849 2.8536 2.8536 3.0100 3.0100 3.1576 3.1576 3.9072 3.9072 4.1669 4.1669 6.5787 6.5787 6.6883 6.6883 6.7526 6.7526 6.8061 6.8061 k = 0.4910 0.3602 0.0158 ( 7248 PWs) bands (ev): -6.7666 -6.7665 -6.5620 -6.5620 -5.7539 -5.7539 -5.7523 -5.7523 -2.3501 -2.3473 -2.3114 -2.3065 -2.0396 -2.0336 -1.9925 -1.9848 -1.9672 -1.9643 -1.0310 -1.0239 -0.2018 -0.2001 0.9873 1.0029 1.7168 1.7304 1.9205 1.9344 2.0926 2.0968 2.6610 2.6967 2.8503 2.8617 3.0000 3.0216 3.1391 3.1774 3.9002 3.9123 4.1649 4.1666 6.5763 6.5795 6.6825 6.7014 6.7535 6.7573 6.8037 6.8239 k = 0.4819 0.3732 0.0317 ( 7240 PWs) bands (ev): -6.7645 -6.7644 -6.5606 -6.5606 -5.7587 -5.7586 -5.7523 -5.7523 -2.3514 -2.3459 -2.3142 -2.3044 -2.0428 -2.0308 -1.9967 -1.9816 -1.9685 -1.9628 -1.0273 -1.0131 -0.2010 -0.1977 0.9725 1.0033 1.7075 1.7348 1.9118 1.9380 2.0888 2.0979 2.6291 2.6936 2.8519 2.8724 2.9924 3.0333 3.1230 3.1980 3.8911 3.9156 4.1608 4.1644 6.5716 6.5788 6.6866 6.7202 6.7622 6.7672 6.8187 6.8525 k = 0.4729 0.3862 0.0475 ( 7232 PWs) bands (ev): -6.7611 -6.7609 -6.5583 -6.5582 -5.7665 -5.7663 -5.7523 -5.7523 -2.3526 -2.3444 -2.3172 -2.3026 -2.0461 -2.0281 -2.0009 -1.9793 -1.9694 -1.9614 -1.0191 -0.9977 -0.1990 -0.1942 0.9533 0.9987 1.6960 1.7376 1.9034 1.9383 2.0837 2.0990 2.5924 2.6778 2.8541 2.8846 2.9876 3.0415 3.1129 3.2196 3.8799 3.9173 4.1547 4.1607 6.5655 6.5769 6.7018 6.7446 6.7784 6.7871 6.8467 6.8887 k = 0.4639 0.3992 0.0634 ( 7232 PWs) bands (ev): -6.7562 -6.7560 -6.5550 -6.5550 -5.7773 -5.7771 -5.7523 -5.7522 -2.3538 -2.3431 -2.3204 -2.3011 -2.0497 -2.0255 -2.0049 -1.9780 -1.9697 -1.9600 -1.0065 -0.9780 -0.1956 -0.1897 0.9300 0.9891 1.6819 1.7387 1.8963 1.9349 2.0770 2.1006 2.5529 2.6530 2.8529 2.8962 2.9857 3.0403 3.1147 3.2422 3.8662 3.9177 4.1470 4.1559 6.5595 6.5747 6.7276 6.7748 6.8035 6.8182 6.8833 6.9309 k = 0.4548 0.4122 0.0792 ( 7226 PWs) bands (ev): -6.7500 -6.7497 -6.5509 -6.5509 -5.7909 -5.7907 -5.7522 -5.7522 -2.3549 -2.3418 -2.3236 -2.2998 -2.0533 -2.0231 -2.0085 -1.9780 -1.9690 -1.9586 -0.9900 -0.9542 -0.1908 -0.1841 0.9029 0.9746 1.6650 1.7381 1.8912 1.9276 2.0690 2.1028 2.5117 2.6227 2.8470 2.9043 2.9866 3.0299 3.1285 3.2658 3.8502 3.9169 4.1381 4.1508 6.5554 6.5734 6.7628 6.8109 6.8377 6.8594 6.9261 6.9779 k = 0.4458 0.4252 0.0951 ( 7216 PWs) bands (ev): -6.7424 -6.7420 -6.5460 -6.5460 -5.8073 -5.8070 -5.7522 -5.7521 -2.3558 -2.3408 -2.3267 -2.2987 -2.0572 -2.0211 -2.0113 -1.9789 -1.9679 -1.9574 -0.9702 -0.9270 -0.1844 -0.1774 0.8724 0.9556 1.6450 1.7356 1.8884 1.9167 2.0595 2.1057 2.4696 2.5887 2.8370 2.9056 2.9903 3.0162 3.1483 3.2902 3.8317 3.9150 4.1288 4.1462 6.5543 6.5742 6.8062 6.8530 6.8804 6.9093 6.9743 7.0291 k = 0.4368 0.4382 0.1109 ( 7222 PWs) bands (ev): -6.7335 -6.7331 -6.5402 -6.5402 -5.8263 -5.8259 -5.7521 -5.7521 -2.3567 -2.3401 -2.3296 -2.2978 -2.0610 -2.0201 -2.0128 -1.9801 -1.9667 -1.9562 -0.9475 -0.8967 -0.1762 -0.1694 0.8387 0.9323 1.6221 1.7312 1.8868 1.9039 2.0487 2.1088 2.4273 2.5526 2.8234 2.8988 2.9971 3.0028 3.1701 3.3150 3.8108 3.9124 4.1197 4.1427 6.5570 6.5778 6.8566 6.9009 6.9305 6.9657 7.0283 7.0839 k = 0.4277 0.4513 0.1267 ( 7222 PWs) bands (ev): -6.7233 -6.7228 -6.5338 -6.5338 -5.8475 -5.8471 -5.7521 -5.7520 -2.3575 -2.3401 -2.3319 -2.2970 -2.0648 -2.0207 -2.0124 -1.9814 -1.9656 -1.9551 -0.9229 -0.8641 -0.1659 -0.1597 0.8024 0.9050 1.5966 1.7250 1.8785 1.8975 2.0368 2.1116 2.3851 2.5155 2.8064 2.8852 2.9903 3.0066 3.1916 3.3398 3.7877 3.9092 4.1115 4.1410 6.5637 6.5849 6.9129 6.9545 6.9864 7.0259 7.0895 7.1422 k = 0.4187 0.4643 0.1426 ( 7234 PWs) bands (ev): -6.7118 -6.7112 -6.5268 -6.5267 -5.8709 -5.8704 -5.7521 -5.7520 -2.3581 -2.3413 -2.3332 -2.2964 -2.0685 -2.0221 -2.0108 -1.9826 -1.9647 -1.9541 -0.8969 -0.8299 -0.1536 -0.1481 0.7636 0.8742 1.5691 1.7168 1.8605 1.9005 2.0241 2.1133 2.3435 2.4787 2.7857 2.8680 2.9783 3.0179 3.2113 3.3637 3.7632 3.9058 4.1050 4.1414 6.5746 6.5956 6.9738 7.0135 7.0467 7.0869 7.1599 7.2041 k = 0.4096 0.4773 0.1584 ( 7230 PWs) bands (ev): -6.6990 -6.6984 -6.5192 -6.5191 -5.8961 -5.8955 -5.7521 -5.7520 -2.3587 -2.3434 -2.3335 -2.2957 -2.0718 -2.0235 -2.0090 -1.9837 -1.9640 -1.9530 -0.8706 -0.7949 -0.1394 -0.1335 0.7228 0.8403 1.5401 1.7065 1.8398 1.9060 2.0109 2.1128 2.3027 2.4432 2.7611 2.8502 2.9661 3.0307 3.2280 3.3854 3.7383 3.9025 4.1005 4.1440 6.5897 6.6101 7.0382 7.0767 7.1100 7.1477 7.2394 7.2700 k = 0.4006 0.4903 0.1743 ( 7234 PWs) bands (ev): -6.6851 -6.6844 -6.5112 -6.5111 -5.9228 -5.9221 -5.7521 -5.7520 -2.3591 -2.3460 -2.3333 -2.2951 -2.0749 -2.0247 -2.0072 -1.9845 -1.9634 -1.9521 -0.8448 -0.7602 -0.1232 -0.1152 0.6802 0.8037 1.5102 1.6936 1.8184 1.9118 1.9980 2.1094 2.2631 2.4101 2.7329 2.8334 2.9540 3.0447 3.2408 3.4035 3.7147 3.8998 4.0984 4.1488 6.6087 6.6281 7.1046 7.1422 7.1759 7.2087 7.3264 7.3405 k = 0.3916 0.5033 0.1901 ( 7224 PWs) bands (ev): -6.6700 -6.6693 -6.5030 -6.5029 -5.9506 -5.9498 -5.7522 -5.7520 -2.3594 -2.3485 -2.3331 -2.2944 -2.0776 -2.0257 -2.0057 -1.9850 -1.9629 -1.9511 -0.8203 -0.7267 -0.1044 -0.0929 0.6363 0.7649 1.4800 1.6778 1.7974 1.9159 1.9867 2.1022 2.2249 2.3803 2.7020 2.8183 2.9426 3.0598 3.2494 3.4154 3.6948 3.8980 4.0988 4.1555 6.6316 6.6497 7.1717 7.2071 7.2455 7.2702 7.4142 7.4208 k = 0.3825 0.5163 0.2060 ( 7232 PWs) bands (ev): -6.6539 -6.6531 -6.4949 -6.4947 -5.9791 -5.9782 -5.7523 -5.7521 -2.3598 -2.3509 -2.3328 -2.2936 -2.0798 -2.0265 -2.0044 -1.9850 -1.9626 -1.9502 -0.7981 -0.6956 -0.0823 -0.0664 0.5914 0.7242 1.4498 1.6586 1.7776 1.9156 1.9789 2.0906 2.1888 2.3541 2.6697 2.8050 2.9327 3.0757 3.2537 3.4186 3.6813 3.8975 4.1015 4.1637 6.6582 6.6745 7.2374 7.2703 7.3180 7.3334 7.4940 7.5174 k = 0.3735 0.5293 0.2218 ( 7242 PWs) bands (ev): -6.6367 -6.6359 -6.4870 -6.4867 -6.0078 -6.0068 -5.7524 -5.7523 -2.3601 -2.3531 -2.3326 -2.2928 -2.0815 -2.0271 -2.0036 -1.9845 -1.9624 -1.9493 -0.7789 -0.6681 -0.0560 -0.0356 0.5458 0.6822 1.4199 1.6359 1.7598 1.9091 1.9758 2.0749 2.1552 2.3310 2.6373 2.7932 2.9251 3.0923 3.2542 3.4116 3.6764 3.8983 4.1061 4.1730 6.6880 6.7022 7.2995 7.3329 7.3852 7.4044 7.5761 7.6173 k = 0.3645 0.5424 0.2376 ( 7250 PWs) bands (ev): -6.6188 -6.6179 -6.4797 -6.4793 -6.0362 -6.0350 -5.7526 -5.7525 -2.3604 -2.3549 -2.3323 -2.2920 -2.0828 -2.0275 -2.0031 -1.9836 -1.9623 -1.9485 -0.7631 -0.6450 -0.0253 -0.0006 0.4998 0.6391 1.3907 1.6099 1.7440 1.8970 1.9759 2.0558 2.1250 2.3100 2.6060 2.7833 2.9205 3.1091 3.2516 3.3949 3.6796 3.9004 4.1123 4.1829 6.7209 6.7326 7.3572 7.3950 7.4459 7.4822 7.6593 7.7183 k = 0.3554 0.5554 0.2535 ( 7236 PWs) bands (ev): -6.6003 -6.5993 -6.4734 -6.4729 -6.0634 -6.0621 -5.7529 -5.7527 -2.3609 -2.3561 -2.3320 -2.2911 -2.0836 -2.0277 -2.0028 -1.9823 -1.9622 -1.9476 -0.7513 -0.6273 0.0102 0.0383 0.4541 0.5955 1.3623 1.5812 1.7304 1.8814 1.9761 2.0345 2.0986 2.2897 2.5770 2.7756 2.9193 3.1251 3.2475 3.3716 3.6889 3.9033 4.1197 4.1930 6.7564 6.7653 7.4113 7.4547 7.5045 7.5598 7.7417 7.8185 k = 0.3464 0.5684 0.2693 ( 7236 PWs) bands (ev): -6.5817 -6.5806 -6.4685 -6.4677 -6.0887 -6.0872 -5.7532 -5.7531 -2.3616 -2.3569 -2.3316 -2.2902 -2.0838 -2.0278 -2.0028 -1.9807 -1.9622 -1.9468 -0.7435 -0.6152 0.0499 0.0808 0.4092 0.5519 1.3347 1.5503 1.7187 1.8636 1.9738 2.0133 2.0762 2.2689 2.5513 2.7705 2.9213 3.1390 3.2432 3.3457 3.7015 3.9065 4.1277 4.2029 6.7941 6.8001 7.4628 7.5103 7.5608 7.6339 7.8216 7.9160 k = 0.3374 0.5814 0.2852 ( 7250 PWs) bands (ev): -6.5637 -6.5625 -6.4649 -6.4640 -6.1110 -6.1093 -5.7537 -5.7535 -2.3623 -2.3573 -2.3311 -2.2893 -2.0837 -2.0279 -2.0029 -1.9790 -1.9623 -1.9461 -0.7398 -0.6090 0.0926 0.1257 0.3666 0.5091 1.3080 1.5180 1.7085 1.8445 1.9672 1.9940 2.0572 2.2467 2.5297 2.7683 2.9263 3.1484 3.2392 3.3230 3.7154 3.9093 4.1360 4.2120 6.8332 6.8369 7.5118 7.5613 7.6133 7.7015 7.8976 8.0084 k = 0.3283 0.5944 0.3010 ( 7252 PWs) bands (ev): -6.5481 -6.5467 -6.4620 -6.4609 -6.1294 -6.1275 -5.7542 -5.7540 -2.3630 -2.3574 -2.3304 -2.2885 -2.0830 -2.0279 -2.0029 -1.9771 -1.9625 -1.9454 -0.7401 -0.6083 0.1343 0.1714 0.3298 0.4685 1.2821 1.4850 1.6997 1.8247 1.9564 1.9775 2.0414 2.2226 2.5130 2.7690 2.9336 3.1519 3.2321 3.3119 3.7289 3.9112 4.1441 4.2202 6.8720 6.8766 7.5581 7.6076 7.6601 7.7595 7.9692 8.0937 k = 0.3193 0.6074 0.3168 ( 7248 PWs) bands (ev): -6.5382 -6.5366 -6.4572 -6.4558 -6.1429 -6.1409 -5.7547 -5.7545 -2.3635 -2.3573 -2.3295 -2.2877 -2.0819 -2.0279 -2.0029 -1.9752 -1.9626 -1.9447 -0.7440 -0.6129 0.1632 0.2145 0.3095 0.4334 1.2571 1.4520 1.6918 1.8049 1.9436 1.9617 2.0283 2.1966 2.5015 2.7724 2.9427 3.1486 3.2202 3.3175 3.7409 3.9113 4.1515 4.2270 6.9102 6.9185 7.6012 7.6492 7.7002 7.8056 8.0363 8.1703 k = 0.3103 0.6204 0.3327 ( 7252 PWs) bands (ev): -6.5380 -6.5363 -6.4467 -6.4453 -6.1510 -6.1490 -5.7554 -5.7552 -2.3637 -2.3571 -2.3284 -2.2870 -2.0804 -2.0279 -2.0029 -1.9734 -1.9627 -1.9441 -0.7514 -0.6222 0.1605 0.2466 0.3230 0.4132 1.2328 1.4196 1.6840 1.7861 1.9307 1.9455 2.0179 2.1686 2.4949 2.7779 2.9527 3.1383 3.2109 3.3357 3.7506 3.9092 4.1581 4.2322 6.9484 6.9613 7.6401 7.6859 7.7335 7.8383 8.0992 8.2373 k = 0.3103 0.6204 0.3327 ( 7252 PWs) bands (ev): -6.5380 -6.5363 -6.4467 -6.4453 -6.1510 -6.1490 -5.7554 -5.7552 -2.3637 -2.3571 -2.3284 -2.2870 -2.0804 -2.0279 -2.0029 -1.9734 -1.9627 -1.9441 -0.7514 -0.6222 0.1605 0.2466 0.3230 0.4132 1.2328 1.4196 1.6840 1.7861 1.9307 1.9455 2.0179 2.1686 2.4949 2.7779 2.9527 3.1383 3.2109 3.3357 3.7506 3.9092 4.1581 4.2322 6.9484 6.9613 7.6401 7.6859 7.7335 7.8383 8.0992 8.2373 k = 0.2896 0.6146 0.3397 ( 7250 PWs) bands (ev): -6.5452 -6.5437 -6.4368 -6.4354 -6.1516 -6.1495 -5.7561 -5.7559 -2.3637 -2.3569 -2.3278 -2.2867 -2.0795 -2.0279 -2.0027 -1.9726 -1.9627 -1.9439 -0.7567 -0.6294 0.1464 0.2511 0.3406 0.4197 1.2199 1.4017 1.6797 1.7770 1.9083 1.9584 2.0148 2.1603 2.4938 2.7791 2.9571 3.1323 3.2108 3.3455 3.7494 3.9044 4.1641 4.2359 6.9674 6.9847 7.6542 7.6996 7.7483 7.8474 8.1293 8.2645 k = 0.2689 0.6089 0.3468 ( 7250 PWs) bands (ev): -6.5581 -6.5567 -6.4237 -6.4224 -6.1480 -6.1460 -5.7575 -5.7573 -2.3636 -2.3567 -2.3268 -2.2865 -2.0784 -2.0280 -2.0024 -1.9718 -1.9626 -1.9437 -0.7643 -0.6410 0.1292 0.2442 0.3657 0.4399 1.2030 1.3774 1.6732 1.7644 1.8870 1.9761 2.0146 2.1620 2.4943 2.7768 2.9613 3.1272 3.2146 3.3549 3.7392 3.8938 4.1748 4.2415 6.9915 7.0158 7.6650 7.7110 7.7658 7.8533 8.1650 8.2925 k = 0.2482 0.6031 0.3538 ( 7254 PWs) bands (ev): -6.5728 -6.5715 -6.4118 -6.4106 -6.1399 -6.1380 -5.7599 -5.7596 -2.3634 -2.3565 -2.3256 -2.2864 -2.0770 -2.0282 -2.0019 -1.9712 -1.9624 -1.9435 -0.7742 -0.6566 0.1151 0.2314 0.3954 0.4651 1.1828 1.3483 1.6627 1.7468 1.8750 1.9874 2.0219 2.1738 2.4963 2.7712 2.9651 3.1236 3.2219 3.3642 3.7222 3.8790 4.1871 4.2466 7.0209 7.0537 7.6747 7.7218 7.7840 7.8571 8.2070 8.3241 k = 0.2275 0.5973 0.3609 ( 7252 PWs) bands (ev): -6.5876 -6.5865 -6.4027 -6.4016 -6.1275 -6.1257 -5.7631 -5.7629 -2.3631 -2.3563 -2.3242 -2.2863 -2.0753 -2.0287 -2.0011 -1.9707 -1.9620 -1.9434 -0.7860 -0.6757 0.1056 0.2179 0.4263 0.4909 1.1604 1.3162 1.6469 1.7243 1.8725 1.9924 2.0374 2.1941 2.4997 2.7624 2.9687 3.1215 3.2321 3.3743 3.7005 3.8615 4.1982 4.2494 7.0557 7.0976 7.6851 7.7346 7.8011 7.8592 8.2557 8.3620 k = 0.2068 0.5915 0.3679 ( 7249 PWs) bands (ev): -6.6018 -6.6008 -6.3967 -6.3957 -6.1112 -6.1095 -5.7674 -5.7672 -2.3628 -2.3562 -2.3224 -2.2865 -2.0734 -2.0293 -2.0000 -1.9704 -1.9614 -1.9434 -0.7993 -0.6977 0.1011 0.2061 0.4565 0.5156 1.1370 1.2826 1.6257 1.6988 1.8769 1.9972 2.0561 2.2204 2.5044 2.7505 2.9723 3.1201 3.2450 3.3863 3.6757 3.8426 4.2053 4.2486 7.0959 7.1470 7.6970 7.7509 7.8158 7.8601 8.3112 8.4076 k = 0.1862 0.5857 0.3750 ( 7254 PWs) bands (ev): -6.6151 -6.6142 -6.3933 -6.3925 -6.0919 -6.0904 -5.7728 -5.7725 -2.3624 -2.3561 -2.3205 -2.2867 -2.0713 -2.0302 -1.9987 -1.9703 -1.9606 -1.9435 -0.8134 -0.7214 0.1010 0.1967 0.4851 0.5384 1.1136 1.2487 1.6007 1.6715 1.8858 2.0038 2.0765 2.2503 2.5097 2.7358 2.9765 3.1185 3.2601 3.4013 3.6491 3.8236 4.2065 4.2438 7.1411 7.2012 7.7107 7.7705 7.8278 7.8609 8.3731 8.4610 k = 0.1655 0.5799 0.3820 ( 7260 PWs) bands (ev): -6.6273 -6.6265 -6.3921 -6.3914 -6.0704 -6.0691 -5.7793 -5.7791 -2.3619 -2.3560 -2.3183 -2.2872 -2.0690 -2.0313 -1.9972 -1.9706 -1.9595 -1.9437 -0.8278 -0.7461 0.1045 0.1897 0.5116 0.5588 1.0912 1.2154 1.5742 1.6432 1.8975 2.0109 2.0991 2.2820 2.5149 2.7188 2.9817 3.1156 3.2771 3.4203 3.6215 3.8052 4.2007 4.2353 7.1910 7.2597 7.7258 7.7912 7.8365 7.8651 8.4402 8.5210 k = 0.1448 0.5741 0.3890 ( 7263 PWs) bands (ev): -6.6382 -6.6375 -6.3922 -6.3916 -6.0477 -6.0465 -5.7871 -5.7868 -2.3614 -2.3561 -2.3159 -2.2878 -2.0665 -2.0326 -1.9954 -1.9711 -1.9584 -1.9439 -0.8418 -0.7706 0.1107 0.1849 0.5358 0.5767 1.0708 1.1832 1.5485 1.6148 1.9108 2.0171 2.1245 2.3138 2.5190 2.7001 2.9883 3.1112 3.2954 3.4435 3.5938 3.7884 4.1879 4.2233 7.2451 7.3215 7.7411 7.8092 7.8405 7.8773 8.5110 8.5854 k = 0.1241 0.5684 0.3961 ( 7272 PWs) bands (ev): -6.6477 -6.6471 -6.3932 -6.3927 -6.0245 -6.0234 -5.7960 -5.7957 -2.3608 -2.3561 -2.3135 -2.2887 -2.0639 -2.0342 -1.9935 -1.9718 -1.9571 -1.9443 -0.8548 -0.7942 0.1188 0.1816 0.5574 0.5921 1.0531 1.1528 1.5251 1.5869 1.9248 2.0210 2.1528 2.3443 2.5210 2.6806 2.9964 3.1053 3.3145 3.4705 3.5668 3.7735 4.1694 4.2078 7.3027 7.3856 7.7547 7.8213 7.8428 7.8963 8.5831 8.6508 k = 0.1034 0.5626 0.4031 ( 7270 PWs) bands (ev): -6.6559 -6.6554 -6.3946 -6.3943 -6.0014 -6.0005 -5.8062 -5.8058 -2.3603 -2.3563 -2.3109 -2.2898 -2.0612 -2.0359 -1.9914 -1.9728 -1.9558 -1.9449 -0.8662 -0.8160 0.1279 0.1794 0.5762 0.6048 1.0387 1.1245 1.5052 1.5605 1.9389 2.0225 2.1837 2.3712 2.5208 2.6613 3.0058 3.0984 3.3334 3.4983 3.5433 3.7606 4.1476 4.1890 7.3627 7.4502 7.7653 7.8261 7.8476 7.9161 8.6533 8.7125 k = 0.0827 0.5568 0.4102 ( 7263 PWs) bands (ev): -6.6626 -6.6622 -6.3961 -6.3959 -5.9790 -5.9782 -5.8174 -5.8171 -2.3597 -2.3565 -2.3083 -2.2910 -2.0584 -2.0379 -1.9893 -1.9740 -1.9544 -1.9455 -0.8754 -0.8356 0.1372 0.1778 0.5922 0.6149 1.0281 1.0987 1.4894 1.5363 1.9526 2.0215 2.2165 2.3914 2.5199 2.6426 3.0162 3.0910 3.3517 3.5033 3.5464 3.7490 4.1255 4.1675 7.4233 7.5127 7.7727 7.8264 7.8540 7.9310 8.7172 8.7652 k = 0.0621 0.5510 0.4172 ( 7263 PWs) bands (ev): -6.6678 -6.6675 -6.3975 -6.3973 -5.9579 -5.9573 -5.8294 -5.8291 -2.3592 -2.3567 -2.3057 -2.2926 -2.0556 -2.0400 -1.9871 -1.9754 -1.9531 -1.9463 -0.8820 -0.8524 0.1462 0.1761 0.6054 0.6222 1.0216 1.0758 1.4784 1.5152 1.9656 2.0184 2.2504 2.4000 2.5229 2.6246 3.0271 3.0835 3.3692 3.4826 3.5783 3.7371 4.1061 4.1450 7.4825 7.5682 7.7784 7.8252 7.8592 7.9367 8.7697 8.8045 k = 0.0414 0.5452 0.4243 ( 7249 PWs) bands (ev): -6.6715 -6.6713 -6.3986 -6.3985 -5.9391 -5.9386 -5.8416 -5.8412 -2.3587 -2.3570 -2.3031 -2.2943 -2.0528 -2.0423 -1.9849 -1.9770 -1.9517 -1.9471 -0.8857 -0.8660 0.1543 0.1740 0.6156 0.6268 1.0196 1.0564 1.4723 1.4977 1.9776 2.0133 2.2844 2.3937 2.5333 2.6066 3.0381 3.0757 3.3860 3.4604 3.6134 3.7225 4.0928 4.1233 7.5371 7.6089 7.7854 7.8226 7.8644 7.9309 8.8075 8.8295 k = 0.0207 0.5394 0.4313 ( 7249 PWs) bands (ev): -6.6738 -6.6737 -6.3993 -6.3992 -5.9246 -5.9242 -5.8520 -5.8517 -2.3582 -2.3574 -2.3007 -2.2962 -2.0500 -2.0448 -1.9827 -1.9787 -1.9505 -1.9481 -0.8860 -0.8762 0.1612 0.1710 0.6229 0.6284 1.0221 1.0407 1.4714 1.4843 1.9885 2.0065 2.3176 2.3749 2.5498 2.5881 3.0487 3.0674 3.4028 3.4396 3.6474 3.7031 4.0879 4.1048 7.5832 7.6255 7.7962 7.8173 7.8747 7.9146 8.8310 8.8416 k = 0.0000 0.5336 0.4383 ( 7248 PWs) bands (ev): -6.6745 -6.6745 -6.3995 -6.3995 -5.9184 -5.9184 -5.8565 -5.8565 -2.3578 -2.3578 -2.2984 -2.2984 -2.0473 -2.0473 -1.9807 -1.9807 -1.9492 -1.9492 -0.8829 -0.8829 0.1667 0.1667 0.6271 0.6271 1.0292 1.0292 1.4754 1.4754 1.9982 1.9982 2.3484 2.3484 2.5688 2.5688 3.0585 3.0585 3.4205 3.4205 3.6779 3.6779 4.0923 4.0923 7.6150 7.6150 7.8082 7.8082 7.8931 7.8931 8.8420 8.8420 k = 0.0000 0.5336 0.4383 ( 7248 PWs) bands (ev): -6.6745 -6.6745 -6.3995 -6.3995 -5.9184 -5.9184 -5.8565 -5.8565 -2.3578 -2.3578 -2.2984 -2.2984 -2.0473 -2.0473 -1.9807 -1.9807 -1.9492 -1.9492 -0.8829 -0.8829 0.1667 0.1667 0.6271 0.6271 1.0292 1.0292 1.4754 1.4754 1.9982 1.9982 2.3484 2.3484 2.5688 2.5688 3.0585 3.0585 3.4205 3.4205 3.6779 3.6779 4.0923 4.0923 7.6150 7.6150 7.8082 7.8082 7.8931 7.8931 8.8420 8.8420 k = 0.0093 0.5203 0.4546 ( 7248 PWs) bands (ev): -6.6739 -6.6738 -6.3991 -6.3991 -5.9190 -5.9190 -5.8567 -5.8567 -2.3583 -2.3570 -2.2994 -2.2974 -2.0486 -2.0458 -1.9814 -1.9799 -1.9497 -1.9488 -0.8862 -0.8812 0.1579 0.1650 0.6183 0.6263 1.0242 1.0417 1.4692 1.4874 1.9922 2.0056 2.3448 2.3586 2.5573 2.5786 3.0417 3.0836 3.4179 3.4253 3.6700 3.6885 4.0900 4.0942 7.6066 7.6164 7.8040 7.8106 7.8856 7.8978 8.8322 8.8505 k = 0.0185 0.5070 0.4708 ( 7246 PWs) bands (ev): -6.6721 -6.6720 -6.3979 -6.3979 -5.9208 -5.9207 -5.8576 -5.8576 -2.3588 -2.3561 -2.3003 -2.2963 -2.0497 -2.0442 -1.9820 -1.9792 -1.9500 -1.9482 -0.8911 -0.8811 0.1392 0.1528 0.6002 0.6157 1.0268 1.0610 1.4688 1.5047 1.9871 2.0148 2.3474 2.3752 2.5454 2.5860 3.0341 3.1151 3.4174 3.4322 3.6652 3.7020 4.0873 4.0958 7.5916 7.6109 7.7984 7.8103 7.8765 7.8997 8.8213 8.8574 k = 0.0278 0.4936 0.4871 ( 7252 PWs) bands (ev): -6.6692 -6.6689 -6.3960 -6.3959 -5.9238 -5.9236 -5.8590 -5.8589 -2.3590 -2.3550 -2.3013 -2.2953 -2.0507 -2.0423 -1.9826 -1.9785 -1.9503 -1.9476 -0.8973 -0.8826 0.1120 0.1311 0.5737 0.5958 1.0357 1.0852 1.4740 1.5270 1.9825 2.0262 2.3557 2.3980 2.5351 2.5922 3.0350 3.1507 3.4190 3.4412 3.6636 3.7185 4.0844 4.0972 7.5706 7.5989 7.7913 7.8057 7.8677 7.8993 8.8089 8.8624 k = 0.0370 0.4803 0.5033 ( 7258 PWs) bands (ev): -6.6650 -6.6647 -6.3932 -6.3931 -5.9279 -5.9277 -5.8610 -5.8609 -2.3590 -2.3538 -2.3021 -2.2942 -2.0513 -2.0403 -1.9831 -1.9778 -1.9504 -1.9470 -0.9047 -0.8854 0.0780 0.1011 0.5398 0.5676 1.0489 1.1122 1.4845 1.5536 1.9783 2.0397 2.3689 2.4263 2.5281 2.5992 3.0426 3.1877 3.4223 3.4524 3.6659 3.7383 4.0814 4.0987 7.5443 7.5813 7.7821 7.7954 7.8615 7.8975 8.7941 8.8645 k = 0.0463 0.4670 0.5195 ( 7268 PWs) bands (ev): -6.6597 -6.6593 -6.3897 -6.3896 -5.9332 -5.9330 -5.8635 -5.8634 -2.3589 -2.3525 -2.3029 -2.2932 -2.0518 -2.0383 -1.9834 -1.9773 -1.9505 -1.9464 -0.9131 -0.8895 0.0389 0.0648 0.4995 0.5322 1.0644 1.1396 1.4999 1.5840 1.9749 2.0552 2.3865 2.4588 2.5265 2.6098 3.0548 3.2232 3.4267 3.4660 3.6728 3.7615 4.0787 4.1006 7.5139 7.5591 7.7699 7.7802 7.8581 7.8954 8.7754 8.8621 k = 0.0556 0.4536 0.5358 ( 7270 PWs) bands (ev): -6.6532 -6.6527 -6.3855 -6.3854 -5.9396 -5.9393 -5.8665 -5.8664 -2.3586 -2.3511 -2.3037 -2.2923 -2.0521 -2.0360 -1.9837 -1.9769 -1.9504 -1.9459 -0.9220 -0.8945 -0.0040 0.0238 0.4539 0.4906 1.0801 1.1652 1.5195 1.6174 1.9728 2.0724 2.4076 2.4933 2.5327 2.6263 3.0692 3.2547 3.4315 3.4820 3.6854 3.7883 4.0768 4.1032 7.4804 7.5336 7.7537 7.7620 7.8563 7.8938 8.7515 8.8523 k = 0.0648 0.4403 0.5520 ( 7272 PWs) bands (ev): -6.6455 -6.6450 -6.3806 -6.3804 -5.9472 -5.9468 -5.8701 -5.8699 -2.3581 -2.3496 -2.3043 -2.2914 -2.0521 -2.0337 -1.9838 -1.9766 -1.9501 -1.9453 -0.9311 -0.9002 -0.0493 -0.0204 0.4039 0.4440 1.0941 1.1869 1.5431 1.6535 1.9732 2.0909 2.4318 2.5245 2.5523 2.6498 3.0841 3.2804 3.4359 3.4997 3.7046 3.8186 4.0761 4.1070 7.4448 7.5061 7.7331 7.7426 7.8548 7.8930 8.7217 8.8321 k = 0.0741 0.4270 0.5682 ( 7276 PWs) bands (ev): -6.6368 -6.6362 -6.3750 -6.3748 -5.9558 -5.9554 -5.8742 -5.8740 -2.3574 -2.3481 -2.3049 -2.2906 -2.0519 -2.0313 -1.9837 -1.9764 -1.9498 -1.9448 -0.9402 -0.9061 -0.0960 -0.0666 0.3505 0.3934 1.1050 1.2029 1.5703 1.6916 1.9771 2.1103 2.4589 2.5508 2.5867 2.6804 3.0982 3.2994 3.4394 3.5175 3.7310 3.8520 4.0775 4.1125 7.4083 7.4776 7.7095 7.7212 7.8528 7.8926 8.6869 8.8003 k = 0.0833 0.4136 0.5845 ( 7284 PWs) bands (ev): -6.6269 -6.6263 -6.3688 -6.3686 -5.9655 -5.9650 -5.8787 -5.8786 -2.3565 -2.3465 -2.3054 -2.2898 -2.0515 -2.0289 -1.9835 -1.9764 -1.9494 -1.9443 -0.9488 -0.9120 -0.1432 -0.1138 0.2944 0.3395 1.1119 1.2120 1.6011 1.7314 1.9852 2.1302 2.4889 2.5808 2.6268 2.7170 3.1109 3.3125 3.4416 3.5332 3.7646 3.8879 4.0817 4.1202 7.3718 7.4490 7.6839 7.6975 7.8496 7.8921 8.6491 8.7589 k = 0.0926 0.4003 0.6007 ( 7282 PWs) bands (ev): -6.6160 -6.6154 -6.3621 -6.3618 -5.9762 -5.9756 -5.8838 -5.8836 -2.3555 -2.3448 -2.3058 -2.2892 -2.0509 -2.0265 -1.9832 -1.9766 -1.9490 -1.9439 -0.9566 -0.9175 -0.1903 -0.1610 0.2365 0.2834 1.1142 1.2137 1.6354 1.7725 1.9979 2.1504 2.5221 2.6175 2.6683 2.7583 3.1220 3.3209 3.4423 3.5453 3.8041 3.9254 4.0896 4.1307 7.3360 7.4210 7.6563 7.6718 7.8447 7.8905 8.6109 8.7124 k = 0.1019 0.3870 0.6169 ( 7274 PWs) bands (ev): -6.6041 -6.6034 -6.3548 -6.3546 -5.9878 -5.9872 -5.8893 -5.8891 -2.3543 -2.3431 -2.3062 -2.2887 -2.0501 -2.0240 -1.9827 -1.9769 -1.9485 -1.9436 -0.9633 -0.9223 -0.2367 -0.2077 0.1774 0.2257 1.1120 1.2083 1.6728 1.8146 2.0150 2.1710 2.5579 2.6605 2.7098 2.8025 3.1317 3.3261 3.4412 3.5527 3.8478 3.9632 4.1019 4.1444 7.3016 7.3941 7.6261 7.6445 7.8376 7.8868 8.5751 8.6652 k = 0.1111 0.3736 0.6332 ( 7266 PWs) bands (ev): -6.5912 -6.5905 -6.3471 -6.3469 -6.0004 -5.9998 -5.8953 -5.8951 -2.3531 -2.3413 -2.3065 -2.2883 -2.0491 -2.0215 -1.9822 -1.9772 -1.9481 -1.9433 -0.9686 -0.9260 -0.2820 -0.2532 0.1176 0.1669 1.1055 1.1966 1.7131 1.8572 2.0363 2.1921 2.5954 2.7086 2.7510 2.8481 3.1404 3.3300 3.4386 3.5552 3.8938 4.0002 4.1189 4.1619 7.2692 7.3688 7.5929 7.6156 7.8276 7.8800 8.5439 8.6213 k = 0.1204 0.3603 0.6494 ( 7260 PWs) bands (ev): -6.5774 -6.5766 -6.3391 -6.3388 -6.0138 -6.0132 -5.9016 -5.9014 -2.3518 -2.3395 -2.3067 -2.2881 -2.0480 -2.0191 -1.9816 -1.9776 -1.9477 -1.9431 -0.9722 -0.9283 -0.3257 -0.2972 0.0577 0.1078 1.0953 1.1799 1.7557 1.8997 2.0611 2.2139 2.6325 2.7597 2.7915 2.8939 3.1488 3.3340 3.4346 3.5532 3.9402 4.0357 4.1402 4.1835 7.2392 7.3452 7.5569 7.5851 7.8146 7.8691 8.5191 8.5835 k = 0.1296 0.3469 0.6656 ( 7256 PWs) bands (ev): -6.5627 -6.5618 -6.3309 -6.3306 -6.0280 -6.0273 -5.9083 -5.9080 -2.3504 -2.3376 -2.3070 -2.2881 -2.0468 -2.0166 -1.9813 -1.9776 -1.9475 -1.9430 -0.9739 -0.9291 -0.3678 -0.3393 -0.0019 0.0487 1.0822 1.1597 1.8000 1.9415 2.0892 2.2366 2.6670 2.8111 2.8320 2.9382 3.1581 3.3391 3.4304 3.5472 3.9855 4.0693 4.1647 4.2091 7.2119 7.3234 7.5181 7.5526 7.7983 7.8534 8.5021 8.5541 k = 0.1389 0.3336 0.6819 ( 7252 PWs) bands (ev): -6.5472 -6.5463 -6.3226 -6.3222 -6.0429 -6.0421 -5.9153 -5.9150 -2.3491 -2.3356 -2.3071 -2.2882 -2.0455 -2.0142 -1.9815 -1.9772 -1.9475 -1.9430 -0.9734 -0.9279 -0.4078 -0.3793 -0.0607 -0.0098 1.0669 1.1370 1.8454 1.9819 2.1201 2.2604 2.6964 2.8568 2.8754 2.9797 3.1700 3.3459 3.4273 3.5384 4.0285 4.1014 4.1911 4.2380 7.1874 7.3034 7.4773 7.5178 7.7790 7.8326 8.4935 8.5342 k = 0.1481 0.3203 0.6981 ( 7252 PWs) bands (ev): -6.5309 -6.5299 -6.3143 -6.3139 -6.0583 -6.0575 -5.9225 -5.9222 -2.3478 -2.3336 -2.3073 -2.2884 -2.0441 -2.0117 -1.9821 -1.9763 -1.9478 -1.9431 -0.9707 -0.9248 -0.4456 -0.4168 -0.1183 -0.0674 1.0503 1.1130 1.8912 2.0202 2.1535 2.2854 2.7192 2.8926 2.9212 3.0169 3.1875 3.3535 3.4277 3.5284 4.0686 4.1323 4.2186 4.2686 7.1661 7.2850 7.4350 7.4809 7.7570 7.8072 8.4934 8.5245 k = 0.1574 0.3069 0.7143 ( 7252 PWs) bands (ev): -6.5139 -6.5129 -6.3063 -6.3058 -6.0740 -6.0732 -5.9298 -5.9295 -2.3465 -2.3315 -2.3075 -2.2889 -2.0428 -2.0093 -1.9829 -1.9751 -1.9483 -1.9433 -0.9655 -0.9195 -0.4812 -0.4517 -0.1744 -0.1236 1.0330 1.0887 1.9367 2.0560 2.1888 2.3117 2.7348 2.9199 2.9616 3.0498 3.2126 3.3611 3.4336 3.5193 4.1051 4.1619 4.2465 4.2993 7.1479 7.2679 7.3924 7.4423 7.7329 7.7778 8.5013 8.5247 k = 0.1667 0.2936 0.7306 ( 7252 PWs) bands (ev): -6.4963 -6.4952 -6.2987 -6.2982 -6.0900 -6.0892 -5.9372 -5.9369 -2.3454 -2.3293 -2.3076 -2.2895 -2.0415 -2.0069 -1.9838 -1.9738 -1.9490 -1.9435 -0.9578 -0.9119 -0.5144 -0.4840 -0.2285 -0.1781 1.0158 1.0647 1.9814 2.0891 2.2255 2.3392 2.7438 2.9376 2.9913 3.0798 3.2452 3.3688 3.4453 3.5140 4.1380 4.1899 4.2743 4.3286 7.1330 7.2518 7.3505 7.4025 7.7075 7.7459 8.5165 8.5342 k = 0.1759 0.2803 0.7468 ( 7248 PWs) bands (ev): -6.4781 -6.4770 -6.2920 -6.2914 -6.1059 -6.1050 -5.9446 -5.9443 -2.3444 -2.3270 -2.3077 -2.2903 -2.0403 -2.0045 -1.9848 -1.9723 -1.9499 -1.9438 -0.9477 -0.9021 -0.5453 -0.5135 -0.2800 -0.2303 0.9992 1.0418 2.0244 2.1195 2.2626 2.3678 2.7472 2.9452 3.0087 3.1067 3.2819 3.3789 3.4612 3.5153 4.1674 4.2157 4.3013 4.3552 7.1213 7.2362 7.3106 7.3627 7.6814 7.7128 8.5377 8.5522 k = 0.1852 0.2669 0.7630 ( 7250 PWs) bands (ev): -6.4595 -6.4584 -6.2866 -6.2859 -6.1213 -6.1204 -5.9517 -5.9514 -2.3434 -2.3247 -2.3077 -2.2913 -2.0391 -2.0021 -1.9858 -1.9709 -1.9511 -1.9442 -0.9351 -0.8902 -0.5739 -0.5405 -0.3284 -0.2800 0.9838 1.0203 2.0650 2.1471 2.2994 2.3968 2.7463 2.9443 3.0156 3.1271 3.3172 3.3948 3.4797 3.5244 4.1935 4.2389 4.3268 4.3784 7.1128 7.2201 7.2740 7.3242 7.6557 7.6801 8.5634 8.5778 k = 0.1944 0.2536 0.7793 ( 7248 PWs) bands (ev): -6.4406 -6.4394 -6.2830 -6.2822 -6.1357 -6.1348 -5.9585 -5.9582 -2.3426 -2.3224 -2.3077 -2.2924 -2.0381 -1.9997 -1.9867 -1.9694 -1.9523 -1.9447 -0.9203 -0.8764 -0.6002 -0.5649 -0.3730 -0.3264 0.9698 1.0008 2.1025 2.1720 2.3354 2.4254 2.7422 2.9377 3.0144 3.1377 3.3463 3.4193 3.5005 3.5397 4.2165 4.2590 4.3502 4.3978 7.1074 7.2029 7.2420 7.2886 7.6309 7.6492 8.5925 8.6092 k = 0.2037 0.2403 0.7955 ( 7250 PWs) bands (ev): -6.4215 -6.4203 -6.2820 -6.2811 -6.1485 -6.1477 -5.9647 -5.9644 -2.3420 -2.3202 -2.3076 -2.2938 -2.0372 -1.9974 -1.9875 -1.9681 -1.9537 -1.9452 -0.9034 -0.8610 -0.6243 -0.5872 -0.4126 -0.3691 0.9578 0.9835 2.1361 2.1936 2.3702 2.4523 2.7361 2.9278 3.0084 3.1380 3.3693 3.4504 3.5225 3.5581 4.2364 4.2757 4.3710 4.4132 7.1046 7.1843 7.2148 7.2576 7.6079 7.6214 8.6242 8.6445 k = 0.2130 0.2269 0.8118 ( 7246 PWs) bands (ev): -6.4023 -6.4011 -6.2842 -6.2832 -6.1590 -6.1582 -5.9702 -5.9699 -2.3414 -2.3182 -2.3073 -2.2952 -2.0365 -1.9953 -1.9882 -1.9669 -1.9550 -1.9458 -0.8850 -0.8447 -0.6462 -0.6079 -0.4462 -0.4072 0.9479 0.9687 2.1654 2.2116 2.4032 2.4759 2.7288 2.9165 3.0003 3.1303 3.3887 3.4821 3.5435 3.5770 4.2533 4.2889 4.3889 4.4246 7.1039 7.1664 7.1911 7.2325 7.5877 7.5975 8.6572 8.6813 k = 0.2222 0.2136 0.8280 ( 7250 PWs) bands (ev): -6.3832 -6.3820 -6.2901 -6.2890 -6.1668 -6.1660 -5.9748 -5.9745 -2.3410 -2.3166 -2.3067 -2.2968 -2.0360 -1.9935 -1.9887 -1.9659 -1.9562 -1.9464 -0.8657 -0.8288 -0.6657 -0.6271 -0.4722 -0.4398 0.9404 0.9566 2.1897 2.2253 2.4338 2.4944 2.7213 2.9056 2.9929 3.1181 3.4051 3.5097 3.5612 3.5947 4.2671 4.2984 4.4038 4.4321 7.1047 7.1515 7.1708 7.2132 7.5710 7.5783 8.6900 8.7173 k = 0.2315 0.2003 0.8442 ( 7248 PWs) bands (ev): -6.3646 -6.3634 -6.2997 -6.2985 -6.1719 -6.1711 -5.9783 -5.9780 -2.3407 -2.3154 -2.3058 -2.2985 -2.0356 -1.9922 -1.9890 -1.9651 -1.9572 -1.9469 -0.8469 -0.8154 -0.6815 -0.6446 -0.4896 -0.4660 0.9353 0.9474 2.2086 2.2343 2.4606 2.5060 2.7146 2.8964 2.9876 3.1055 3.4178 3.5306 3.5745 3.6093 4.2776 4.3045 4.4154 4.4362 7.1060 7.1394 7.1573 7.1984 7.5588 7.5640 8.7208 8.7495 k = 0.2407 0.1869 0.8605 ( 7264 PWs) bands (ev): -6.3471 -6.3459 -6.3120 -6.3108 -6.1746 -6.1738 -5.9804 -5.9801 -2.3405 -2.3147 -2.3046 -2.3001 -2.0354 -1.9915 -1.9890 -1.9647 -1.9578 -1.9472 -0.8312 -0.8074 -0.6916 -0.6582 -0.4976 -0.4847 0.9327 0.9414 2.2214 2.2386 2.4814 2.5098 2.7098 2.8903 2.9847 3.0959 3.4258 3.5436 3.5827 3.6188 4.2844 4.3077 4.4234 4.4374 7.1076 7.1291 7.1526 7.1880 7.5518 7.5548 8.7461 8.7730 k = 0.2500 0.1736 0.8767 ( 7276 PWs) bands (ev): -6.3350 -6.3348 -6.3216 -6.3210 -6.1754 -6.1747 -5.9811 -5.9808 -2.3405 -2.3145 -2.3039 -2.3009 -2.0353 -1.9913 -1.9890 -1.9646 -1.9580 -1.9473 -0.8242 -0.8056 -0.6949 -0.6638 -0.4980 -0.4933 0.9319 0.9393 2.2263 2.2394 2.4909 2.5088 2.7081 2.8881 2.9839 3.0923 3.4286 3.5480 3.5854 3.6221 4.2868 4.3087 4.4266 4.4373 7.1088 7.1244 7.1521 7.1839 7.5498 7.5513 8.7577 8.7812 k = 0.2500 0.1736 0.8767 ( 7276 PWs) bands (ev): -6.3350 -6.3348 -6.3216 -6.3210 -6.1754 -6.1747 -5.9811 -5.9808 -2.3405 -2.3145 -2.3039 -2.3009 -2.0353 -1.9913 -1.9890 -1.9646 -1.9580 -1.9473 -0.8242 -0.8056 -0.6949 -0.6638 -0.4980 -0.4933 0.9319 0.9393 2.2263 2.2394 2.4909 2.5088 2.7081 2.8881 2.9839 3.0923 3.4286 3.5480 3.5854 3.6221 4.2868 4.3087 4.4266 4.4373 7.1088 7.1244 7.1521 7.1839 7.5498 7.5513 8.7577 8.7812 k = 0.2656 0.1844 0.8635 ( 7268 PWs) bands (ev): -6.3400 -6.3390 -6.3178 -6.3168 -6.1751 -6.1744 -5.9809 -5.9806 -2.3404 -2.3147 -2.3042 -2.3006 -2.0352 -1.9920 -1.9884 -1.9647 -1.9578 -1.9473 -0.8296 -0.8095 -0.6933 -0.6625 -0.4940 -0.4865 0.9342 0.9420 2.2130 2.2263 2.4938 2.5167 2.7067 2.8658 3.0071 3.0986 3.4285 3.5423 3.5915 3.6232 4.2864 4.3087 4.4262 4.4380 7.0684 7.0750 7.2011 7.2219 7.5471 7.5490 8.7558 8.7809 k = 0.2812 0.1953 0.8503 ( 7257 PWs) bands (ev): -6.3474 -6.3464 -6.3119 -6.3108 -6.1745 -6.1738 -5.9803 -5.9800 -2.3403 -2.3151 -2.3049 -2.2997 -2.0350 -1.9933 -1.9875 -1.9652 -1.9572 -1.9471 -0.8440 -0.8201 -0.6880 -0.6579 -0.4813 -0.4710 0.9411 0.9496 2.1790 2.1922 2.4987 2.5310 2.7041 2.8259 3.0492 3.1165 3.4285 3.5305 3.6043 3.6274 4.2855 4.3087 4.4255 4.4396 7.0006 7.0121 7.2587 7.2870 7.5399 7.5425 8.7522 8.7799 k = 0.2969 0.2061 0.8371 ( 7247 PWs) bands (ev): -6.3546 -6.3536 -6.3067 -6.3057 -6.1737 -6.1730 -5.9794 -5.9791 -2.3402 -2.3157 -2.3059 -2.2986 -2.0347 -1.9948 -1.9867 -1.9657 -1.9565 -1.9468 -0.8625 -0.8350 -0.6800 -0.6510 -0.4618 -0.4497 0.9525 0.9619 2.1331 2.1463 2.4928 2.5400 2.7064 2.7918 3.0893 3.1427 3.4289 3.5171 3.6192 3.6366 4.2841 4.3082 4.4253 4.4416 6.9304 6.9446 7.3151 7.3556 7.5298 7.5340 8.7491 8.7784 k = 0.3125 0.2170 0.8239 ( 7246 PWs) bands (ev): -6.3610 -6.3601 -6.3025 -6.3016 -6.1729 -6.1722 -5.9784 -5.9782 -2.3401 -2.3166 -2.3071 -2.2974 -2.0343 -1.9965 -1.9861 -1.9664 -1.9557 -1.9465 -0.8809 -0.8511 -0.6707 -0.6433 -0.4378 -0.4245 0.9682 0.9782 2.0815 2.0952 2.4691 2.5324 2.7176 2.7760 3.1205 3.1710 3.4301 3.5033 3.6351 3.6523 4.2822 4.3070 4.4260 4.4437 6.8608 6.8758 7.3678 7.4199 7.5209 7.5288 8.7468 8.7769 k = 0.3281 0.2278 0.8107 ( 7261 PWs) bands (ev): -6.3665 -6.3657 -6.2993 -6.2984 -6.1725 -6.1718 -5.9775 -5.9772 -2.3399 -2.3176 -2.3084 -2.2963 -2.0341 -1.9983 -1.9859 -1.9670 -1.9549 -1.9461 -0.8969 -0.8658 -0.6612 -0.6360 -0.4111 -0.3966 0.9877 0.9982 2.0281 2.0426 2.4306 2.5038 2.7368 2.7815 3.1407 3.1949 3.4319 3.4899 3.6536 3.6728 4.2795 4.3048 4.4279 4.4458 6.7940 6.8080 7.4086 7.4574 7.5260 7.5460 8.7449 8.7754 k = 0.3438 0.2387 0.7975 ( 7251 PWs) bands (ev): -6.3710 -6.3703 -6.2970 -6.2962 -6.1723 -6.1717 -5.9766 -5.9764 -2.3397 -2.3187 -2.3099 -2.2952 -2.0339 -2.0001 -1.9860 -1.9676 -1.9543 -1.9457 -0.9089 -0.8771 -0.6519 -0.6294 -0.3830 -0.3672 1.0106 1.0212 1.9755 1.9908 2.3829 2.4604 2.7611 2.8006 3.1496 3.2100 3.4337 3.4774 3.6759 3.6955 4.2760 4.3016 4.4308 4.4477 6.7320 6.7438 7.4250 7.4544 7.5552 7.6034 8.7425 8.7734 k = 0.3594 0.2495 0.7842 ( 7253 PWs) bands (ev): -6.3744 -6.3738 -6.2955 -6.2947 -6.1726 -6.1721 -5.9760 -5.9758 -2.3395 -2.3198 -2.3116 -2.2942 -2.0340 -2.0021 -1.9862 -1.9682 -1.9538 -1.9453 -0.9159 -0.8839 -0.6432 -0.6236 -0.3548 -0.3373 1.0363 1.0465 1.9255 1.9414 2.3305 2.4103 2.7871 2.8258 3.1475 3.2151 3.4345 3.4666 3.7008 3.7181 4.2714 4.2972 4.4343 4.4491 6.6764 6.6860 7.4216 7.4396 7.6039 7.6742 8.7389 8.7708 k = 0.3750 0.2604 0.7710 ( 7264 PWs) bands (ev): -6.3767 -6.3761 -6.2948 -6.2941 -6.1734 -6.1729 -5.9756 -5.9754 -2.3393 -2.3211 -2.3135 -2.2934 -2.0344 -2.0041 -1.9866 -1.9688 -1.9534 -1.9451 -0.9175 -0.8854 -0.6352 -0.6187 -0.3273 -0.3081 1.0639 1.0733 1.8795 1.8958 2.2763 2.3585 2.8125 2.8533 3.1359 3.2107 3.4330 3.4582 3.7252 3.7391 4.2655 4.2919 4.4375 4.4494 6.6278 6.6383 7.4109 7.4230 7.6607 7.7482 8.7333 8.7669 k = 0.3906 0.2712 0.7578 ( 7260 PWs) bands (ev): -6.3778 -6.3773 -6.2951 -6.2945 -6.1745 -6.1740 -5.9755 -5.9753 -2.3392 -2.3224 -2.3155 -2.2927 -2.0351 -2.0062 -1.9871 -1.9694 -1.9530 -1.9450 -0.9132 -0.8813 -0.6277 -0.6143 -0.3015 -0.2802 1.0926 1.1008 1.8386 1.8552 2.2224 2.3082 2.8356 2.8809 3.1164 3.1982 3.4285 3.4524 3.7454 3.7581 4.2583 4.2856 4.4392 4.4478 6.5872 6.6035 7.3990 7.4075 7.7204 7.8230 8.7251 8.7614 k = 0.4062 0.2821 0.7446 ( 7269 PWs) bands (ev): -6.3776 -6.3772 -6.2967 -6.2962 -6.1758 -6.1753 -5.9755 -5.9754 -2.3391 -2.3237 -2.3176 -2.2921 -2.0363 -2.0083 -1.9875 -1.9702 -1.9529 -1.9451 -0.9030 -0.8713 -0.6207 -0.6103 -0.2782 -0.2547 1.1209 1.1284 1.8038 1.8206 2.1706 2.2613 2.8555 2.9070 3.0907 3.1789 3.4215 3.4481 3.7587 3.7750 4.2496 4.2782 4.4380 4.4438 6.5572 6.5819 7.3881 7.3946 7.7807 7.8979 8.7139 8.7536 k = 0.4219 0.2929 0.7314 ( 7273 PWs) bands (ev): -6.3762 -6.3759 -6.2998 -6.2993 -6.1770 -6.1766 -5.9757 -5.9755 -2.3390 -2.3251 -2.3197 -2.2917 -2.0378 -2.0103 -1.9879 -1.9710 -1.9527 -1.9453 -0.8871 -0.8556 -0.6143 -0.6065 -0.2579 -0.2323 1.1473 1.1555 1.7756 1.7929 2.1225 2.2195 2.8715 2.9300 3.0609 3.1542 3.4130 3.4439 3.7656 3.7882 4.2392 4.2696 4.4315 4.4379 6.5390 6.5737 7.3794 7.3856 7.8405 7.9719 8.6993 8.7431 k = 0.4375 0.3038 0.7182 ( 7272 PWs) bands (ev): -6.3735 -6.3733 -6.3048 -6.3044 -6.1779 -6.1775 -5.9758 -5.9757 -2.3392 -2.3265 -2.3217 -2.2914 -2.0397 -2.0123 -1.9882 -1.9718 -1.9527 -1.9457 -0.8656 -0.8344 -0.6081 -0.6024 -0.2414 -0.2135 1.1702 1.1813 1.7543 1.7726 2.0797 2.1843 2.8827 2.9474 3.0297 3.1254 3.4033 3.4387 3.7670 3.7965 4.2270 4.2596 4.4195 4.4300 6.5332 6.5780 7.3742 7.3813 7.8984 8.0443 8.6811 8.7293 k = 0.4531 0.3146 0.7050 ( 7270 PWs) bands (ev): -6.3696 -6.3695 -6.3122 -6.3118 -6.1781 -6.1777 -5.9758 -5.9756 -2.3395 -2.3278 -2.3236 -2.2913 -2.0420 -2.0143 -1.9884 -1.9727 -1.9526 -1.9462 -0.8394 -0.8083 -0.6022 -0.5972 -0.2290 -0.1990 1.1892 1.2045 1.7396 1.7599 2.0435 2.1573 2.8883 2.9516 3.0045 3.0941 3.3926 3.4324 3.7637 3.8000 4.2126 4.2477 4.4036 4.4193 6.5390 6.5935 7.3737 7.3823 7.9529 8.1136 8.6589 8.7120 k = 0.4688 0.3255 0.6918 ( 7264 PWs) bands (ev): -6.3645 -6.3643 -6.3221 -6.3218 -6.1774 -6.1769 -5.9755 -5.9753 -2.3401 -2.3291 -2.3251 -2.2912 -2.0444 -2.0163 -1.9884 -1.9735 -1.9526 -1.9468 -0.8094 -0.7783 -0.5959 -0.5902 -0.2208 -0.1888 1.2038 1.2237 1.7312 1.7542 2.0157 2.1397 2.8857 2.9326 2.9952 3.0626 3.3810 3.4247 3.7566 3.7989 4.1956 4.2333 4.3857 4.4067 6.5549 6.6179 7.3789 7.3889 8.0019 8.1780 8.6324 8.6909 k = 0.4844 0.3363 0.6786 ( 7268 PWs) bands (ev): -6.3582 -6.3579 -6.3347 -6.3345 -6.1755 -6.1749 -5.9748 -5.9746 -2.3411 -2.3305 -2.3262 -2.2912 -2.0469 -2.0182 -1.9883 -1.9744 -1.9527 -1.9475 -0.7775 -0.7462 -0.5874 -0.5805 -0.2168 -0.1831 1.2140 1.2380 1.7283 1.7544 1.9975 2.1324 2.8685 2.9075 2.9848 3.0372 3.3686 3.4158 3.7462 3.7936 4.1758 4.2158 4.3682 4.3936 6.5783 6.6481 7.3908 7.4017 8.0424 8.2338 8.6013 8.6655 k = 0.5000 0.3472 0.6654 ( 7266 PWs) bands (ev): -6.3541 -6.3534 -6.3471 -6.3466 -6.1724 -6.1717 -5.9736 -5.9735 -2.3423 -2.3319 -2.3268 -2.2913 -2.0494 -2.0201 -1.9882 -1.9751 -1.9527 -1.9482 -0.7467 -0.7148 -0.5740 -0.5661 -0.2167 -0.1817 1.2202 1.2469 1.7302 1.7591 1.9898 2.1356 2.8341 2.8884 2.9582 3.0235 3.3557 3.4060 3.7333 3.7842 4.1534 4.1948 4.3535 4.3817 6.6069 6.6812 7.4095 7.4206 8.0700 8.2749 8.5655 8.6312 k = 0.5000 0.3472 0.6654 ( 7266 PWs) bands (ev): -6.3541 -6.3534 -6.3471 -6.3466 -6.1724 -6.1717 -5.9736 -5.9735 -2.3423 -2.3319 -2.3268 -2.2913 -2.0494 -2.0201 -1.9882 -1.9751 -1.9527 -1.9482 -0.7467 -0.7148 -0.5740 -0.5661 -0.2167 -0.1817 1.2202 1.2469 1.7302 1.7591 1.9898 2.1356 2.8341 2.8884 2.9582 3.0235 3.3557 3.4060 3.7333 3.7842 4.1534 4.1948 4.3535 4.3817 6.6069 6.6812 7.4095 7.4206 8.0700 8.2749 8.5655 8.6312 k = 0.5000 0.3472 0.6424 ( 7282 PWs) bands (ev): -6.3664 -6.3659 -6.3512 -6.3509 -6.1647 -6.1640 -5.9709 -5.9707 -2.3447 -2.3343 -2.3275 -2.2916 -2.0536 -2.0233 -1.9878 -1.9763 -1.9528 -1.9494 -0.6951 -0.6629 -0.5440 -0.5339 -0.2185 -0.1824 1.2280 1.2582 1.7375 1.7707 1.9858 2.1505 2.7629 2.8576 2.8977 3.0070 3.3329 3.3881 3.7087 3.7641 4.1114 4.1540 4.3322 4.3633 6.6609 6.7406 7.4470 7.4578 8.0874 8.3041 8.4978 8.5547 k = 0.5000 0.3472 0.6195 ( 7286 PWs) bands (ev): -6.3810 -6.3806 -6.3561 -6.3557 -6.1549 -6.1540 -5.9673 -5.9671 -2.3472 -2.3366 -2.3280 -2.2920 -2.0575 -2.0266 -1.9874 -1.9773 -1.9530 -1.9508 -0.6423 -0.6118 -0.5128 -0.4990 -0.2174 -0.1826 1.2367 1.2707 1.7454 1.7831 1.9813 2.1653 2.6898 2.8273 2.8349 2.9922 3.3100 3.3700 3.6846 3.7432 4.0679 4.1110 4.3124 4.3454 6.7178 6.8023 7.4819 7.4925 8.0695 8.2777 8.4287 8.4781 k = 0.5000 0.3472 0.5965 ( 7294 PWs) bands (ev): -6.3974 -6.3970 -6.3618 -6.3614 -6.1430 -6.1421 -5.9629 -5.9627 -2.3496 -2.3387 -2.3285 -2.2924 -2.0612 -2.0298 -1.9870 -1.9780 -1.9533 -1.9521 -0.5907 -0.5641 -0.4810 -0.4614 -0.2110 -0.1812 1.2463 1.2842 1.7536 1.7963 1.9764 2.1798 2.6176 2.7683 2.8010 2.9787 3.2870 3.3519 3.6610 3.7216 4.0235 4.0673 4.2936 4.3280 6.7766 6.8652 7.5122 7.5230 8.0207 8.2066 8.3583 8.4022 k = 0.5000 0.3472 0.5736 ( 7294 PWs) bands (ev): -6.4153 -6.4148 -6.3683 -6.3680 -6.1295 -6.1285 -5.9576 -5.9574 -2.3519 -2.3407 -2.3290 -2.2928 -2.0645 -2.0329 -1.9868 -1.9785 -1.9541 -1.9530 -0.5442 -0.5227 -0.4489 -0.4219 -0.1955 -0.1759 1.2568 1.2990 1.7622 1.8102 1.9709 2.1933 2.5482 2.7040 2.7747 2.9663 3.2641 3.3339 3.6381 3.6993 3.9788 4.0246 4.2755 4.3111 6.8365 6.9285 7.5354 7.5475 7.9516 8.1139 8.2853 8.3241 k = 0.5000 0.3472 0.5507 ( 7282 PWs) bands (ev): -6.4342 -6.4337 -6.3757 -6.3753 -6.1144 -6.1133 -5.9515 -5.9512 -2.3539 -2.3426 -2.3294 -2.2932 -2.0673 -2.0358 -1.9866 -1.9788 -1.9554 -1.9534 -0.5082 -0.4903 -0.4161 -0.3828 -0.1711 -0.1595 1.2683 1.3151 1.7710 1.8246 1.9649 2.2047 2.4837 2.6413 2.7508 2.9554 3.2412 3.3162 3.6161 3.6762 3.9342 3.9843 4.2582 4.2946 6.8966 6.9911 7.5485 7.5639 7.8725 8.0134 8.2103 8.2435 k = 0.5000 0.3472 0.5277 ( 7282 PWs) bands (ev): -6.4540 -6.4534 -6.3838 -6.3835 -6.0980 -6.0969 -5.9444 -5.9441 -2.3557 -2.3445 -2.3297 -2.2937 -2.0698 -2.0384 -1.9865 -1.9791 -1.9567 -1.9538 -0.4873 -0.4682 -0.3823 -0.3463 -0.1465 -0.1172 1.2809 1.3326 1.7799 1.8393 1.9584 2.2123 2.4267 2.5812 2.7299 2.9459 3.2186 3.2990 3.5949 3.6525 3.8900 3.9476 4.2415 4.2786 6.9557 7.0518 7.5475 7.5699 7.7912 7.9119 8.1346 8.1618 k = 0.5000 0.3472 0.5048 ( 7278 PWs) bands (ev): -6.4743 -6.4736 -6.3927 -6.3924 -6.0806 -6.0794 -5.9365 -5.9361 -2.3571 -2.3462 -2.3300 -2.2941 -2.0719 -2.0409 -1.9863 -1.9795 -1.9579 -1.9541 -0.4827 -0.4555 -0.3492 -0.3145 -0.1104 -0.0590 1.2945 1.3517 1.7889 1.8540 1.9517 2.2125 2.3813 2.5248 2.7127 2.9381 3.1962 3.2823 3.5742 3.6286 3.8469 3.9155 4.2253 4.2631 7.0127 7.1092 7.5273 7.5628 7.7148 7.8138 8.0589 8.0814 k = 0.5000 0.3472 0.4818 ( 7278 PWs) bands (ev): -6.4949 -6.4942 -6.4022 -6.4020 -6.0622 -6.0610 -5.9277 -5.9273 -2.3582 -2.3478 -2.3302 -2.2945 -2.0736 -2.0430 -1.9862 -1.9799 -1.9590 -1.9545 -0.4907 -0.4525 -0.3181 -0.2875 -0.0605 0.0090 1.3094 1.3725 1.7978 1.8680 1.9451 2.2013 2.3523 2.4728 2.6997 2.9318 3.1740 3.2662 3.5530 3.6055 3.8054 3.8885 4.2098 4.2481 7.0663 7.1616 7.4837 7.5390 7.6477 7.7245 7.9825 8.0066 k = 0.5000 0.3472 0.4589 ( 7282 PWs) bands (ev): -6.5156 -6.5149 -6.4123 -6.4120 -6.0431 -6.0419 -5.9183 -5.9178 -2.3589 -2.3492 -2.3305 -2.2949 -2.0749 -2.0449 -1.9860 -1.9806 -1.9599 -1.9549 -0.5074 -0.4590 -0.2897 -0.2639 -0.0000 0.0830 1.3257 1.3952 1.8067 1.8797 1.9401 2.1788 2.3401 2.4262 2.6911 2.9269 3.1521 3.2508 3.5300 3.5845 3.7666 3.8669 4.1950 4.2338 7.1147 7.2062 7.4215 7.4943 7.5876 7.6494 7.9059 7.9401 k = 0.5000 0.3472 0.4359 ( 7274 PWs) bands (ev): -6.5362 -6.5355 -6.4227 -6.4225 -6.0234 -6.0221 -5.9082 -5.9077 -2.3594 -2.3504 -2.3307 -2.2953 -2.0757 -2.0464 -1.9858 -1.9816 -1.9606 -1.9552 -0.5300 -0.4738 -0.2643 -0.2425 0.0671 0.1606 1.3434 1.4198 1.8156 1.8861 1.9394 2.1512 2.3378 2.3865 2.6872 2.9234 3.1305 3.2360 3.5039 3.5665 3.7314 3.8505 4.1809 4.2201 7.1552 7.2360 7.3550 7.4293 7.5307 7.5866 7.8318 7.8817 k = 0.5000 0.3472 0.4130 ( 7266 PWs) bands (ev): -6.5567 -6.5559 -6.4334 -6.4333 -6.0032 -6.0020 -5.8975 -5.8970 -2.3595 -2.3513 -2.3309 -2.2956 -2.0761 -2.0476 -1.9855 -1.9827 -1.9611 -1.9556 -0.5572 -0.4955 -0.2421 -0.2232 0.1378 0.2397 1.3627 1.4465 1.8245 1.8844 1.9459 2.1245 2.3326 2.3618 2.6878 2.9211 3.1094 3.2218 3.4750 3.5507 3.7016 3.8393 4.1677 4.2072 7.1798 7.2285 7.3132 7.3563 7.4762 7.5271 7.7627 7.8307 k = 0.5000 0.3472 0.3901 ( 7262 PWs) bands (ev): -6.5767 -6.5760 -6.4444 -6.4442 -5.9828 -5.9816 -5.8865 -5.8859 -2.3595 -2.3518 -2.3311 -2.2959 -2.0760 -2.0483 -1.9851 -1.9842 -1.9615 -1.9559 -0.5878 -0.5225 -0.2232 -0.2061 0.2103 0.3192 1.3835 1.4753 1.8334 1.8763 1.9578 2.1019 2.3111 2.3628 2.6925 2.9198 3.0887 3.2082 3.4440 3.5350 3.6791 3.8329 4.1555 4.1952 7.1506 7.1999 7.2887 7.3067 7.4281 7.4668 7.6992 7.7863 k = 0.5000 0.3472 0.3671 ( 7258 PWs) bands (ev): -6.5962 -6.5955 -6.4553 -6.4552 -5.9624 -5.9611 -5.8752 -5.8746 -2.3594 -2.3518 -2.3314 -2.2961 -2.0756 -2.0487 -1.9859 -1.9846 -1.9617 -1.9562 -0.6211 -0.5537 -0.2078 -0.1916 0.2829 0.3977 1.4058 1.5060 1.8423 1.8654 1.9720 2.0842 2.2894 2.3729 2.7008 2.9194 3.0685 3.1953 3.4119 3.5171 3.6657 3.8308 4.1443 4.1841 7.0824 7.1497 7.2652 7.2740 7.3927 7.4098 7.6413 7.7455 k = 0.5000 0.3472 0.3442 ( 7262 PWs) bands (ev): -6.6151 -6.6144 -6.4662 -6.4661 -5.9419 -5.9407 -5.8637 -5.8631 -2.3594 -2.3513 -2.3318 -2.2963 -2.0748 -2.0487 -1.9878 -1.9841 -1.9620 -1.9564 -0.6564 -0.5881 -0.1956 -0.1799 0.3547 0.4742 1.4295 1.5383 1.8485 1.8564 1.9869 2.0716 2.2733 2.3864 2.7123 2.9198 3.0490 3.1829 3.3794 3.4961 3.6618 3.8325 4.1344 4.1740 7.0116 7.0791 7.2206 7.2446 7.3483 7.3778 7.5873 7.6652 k = 0.5000 0.3472 0.3212 ( 7256 PWs) bands (ev): -6.6333 -6.6326 -6.4769 -6.4769 -5.9217 -5.9206 -5.8522 -5.8516 -2.3594 -2.3501 -2.3322 -2.2964 -2.0736 -2.0482 -1.9899 -1.9835 -1.9623 -1.9566 -0.6930 -0.6250 -0.1867 -0.1711 0.4248 0.5476 1.4543 1.5717 1.8399 1.8629 2.0014 2.0635 2.2638 2.4025 2.7261 2.9211 3.0300 3.1710 3.3469 3.4726 3.6664 3.8376 4.1259 4.1650 6.9436 7.0071 7.1583 7.2035 7.3058 7.3506 7.5323 7.5744 k = 0.5000 0.3472 0.2983 ( 7254 PWs) bands (ev): -6.6506 -6.6499 -6.4874 -6.4873 -5.9019 -5.9008 -5.8408 -5.8402 -2.3593 -2.3484 -2.3328 -2.2965 -2.0721 -2.0472 -1.9921 -1.9828 -1.9627 -1.9567 -0.7304 -0.6635 -0.1806 -0.1652 0.4925 0.6172 1.4799 1.6055 1.8298 1.8727 2.0150 2.0593 2.2615 2.4212 2.7419 2.9232 3.0119 3.1597 3.3147 3.4479 3.6777 3.8453 4.1191 4.1573 6.8800 6.9383 7.0938 7.1474 7.2654 7.3159 7.4690 7.4883 k = 0.5000 0.3472 0.2753 ( 7248 PWs) bands (ev): -6.6670 -6.6663 -6.4974 -6.4974 -5.8827 -5.8816 -5.8296 -5.8290 -2.3592 -2.3462 -2.3334 -2.2966 -2.0703 -2.0457 -1.9944 -1.9820 -1.9632 -1.9567 -0.7679 -0.7030 -0.1772 -0.1620 0.5571 0.6822 1.5060 1.6384 1.8218 1.8830 2.0268 2.0588 2.2667 2.4425 2.7589 2.9260 2.9946 3.1488 3.2831 3.4228 3.6940 3.8550 4.1141 4.1508 6.8215 6.8745 7.0304 7.0868 7.2196 7.2745 7.3914 7.4132 k = 0.5000 0.3472 0.2524 ( 7244 PWs) bands (ev): -6.6823 -6.6817 -6.5070 -6.5070 -5.8642 -5.8632 -5.8188 -5.8182 -2.3590 -2.3438 -2.3341 -2.2968 -2.0683 -2.0437 -1.9967 -1.9812 -1.9639 -1.9567 -0.8050 -0.7428 -0.1760 -0.1612 0.6183 0.7418 1.5322 1.6691 1.8166 1.8935 2.0363 2.0616 2.2796 2.4664 2.7766 2.9294 2.9786 3.1385 3.2521 3.3981 3.7139 3.8659 4.1112 4.1458 6.7687 6.8162 6.9699 7.0271 7.1677 7.2284 7.3097 7.3429 k = 0.5000 0.3472 0.2294 ( 7246 PWs) bands (ev): -6.6966 -6.6960 -6.5160 -6.5160 -5.8466 -5.8456 -5.8084 -5.8078 -2.3587 -2.3411 -2.3349 -2.2969 -2.0660 -2.0412 -1.9991 -1.9803 -1.9647 -1.9567 -0.8410 -0.7821 -0.1766 -0.1624 0.6756 0.7957 1.5578 1.6957 1.8155 1.9039 2.0439 2.0668 2.3002 2.4927 2.7945 2.9324 2.9649 3.1287 3.2219 3.3739 3.7361 3.8771 4.1107 4.1424 6.7220 6.7641 6.9134 6.9708 7.1119 7.1791 7.2308 7.2744 k = 0.5000 0.3472 0.2065 ( 7234 PWs) bands (ev): -6.7096 -6.7091 -6.5244 -6.5244 -5.8301 -5.8292 -5.7986 -5.7981 -2.3583 -2.3385 -2.3355 -2.2971 -2.0635 -2.0383 -2.0015 -1.9793 -1.9657 -1.9568 -0.8754 -0.8204 -0.1787 -0.1653 0.7287 0.8433 1.5826 1.7162 1.8193 1.9137 2.0503 2.0730 2.3282 2.5210 2.8122 2.9312 2.9572 3.1194 3.1926 3.3504 3.7595 3.8879 4.1126 4.1406 6.6816 6.7183 6.8618 6.9193 7.0545 7.1271 7.1566 7.2083 k = 0.5000 0.3472 0.1836 ( 7232 PWs) bands (ev): -6.7215 -6.7210 -6.5321 -6.5320 -5.8148 -5.8140 -5.7895 -5.7891 -2.3577 -2.3379 -2.3339 -2.2975 -2.0608 -2.0351 -2.0037 -1.9784 -1.9668 -1.9571 -0.9076 -0.8571 -0.1818 -0.1694 0.7774 0.8847 1.6061 1.7297 1.8285 1.9227 2.0564 2.0791 2.3628 2.5506 2.8290 2.9223 2.9590 3.1109 3.1644 3.3276 3.7832 3.8974 4.1168 4.1405 6.6476 6.6793 6.8159 6.8735 6.9973 7.0712 7.0899 7.1454 k = 0.5000 0.3472 0.1606 ( 7218 PWs) bands (ev): -6.7321 -6.7316 -6.5390 -6.5390 -5.8009 -5.8001 -5.7813 -5.7808 -2.3569 -2.3388 -2.3308 -2.2980 -2.0581 -2.0318 -2.0056 -1.9774 -1.9680 -1.9575 -0.9371 -0.8915 -0.1855 -0.1743 0.8216 0.9197 1.6279 1.7371 1.8417 1.9302 2.0625 2.0845 2.4027 2.5808 2.8445 2.9100 2.9655 3.1034 3.1376 3.3054 3.8062 3.9052 4.1232 4.1421 6.6203 6.6470 6.7761 6.8342 6.9418 7.0105 7.0330 7.0860 k = 0.5000 0.3472 0.1377 ( 7224 PWs) bands (ev): -6.7413 -6.7409 -6.5451 -6.5450 -5.7885 -5.7879 -5.7739 -5.7735 -2.3560 -2.3401 -2.3275 -2.2988 -2.0552 -2.0290 -2.0067 -1.9766 -1.9692 -1.9581 -0.9633 -0.9231 -0.1894 -0.1795 0.8611 0.9483 1.6479 1.7404 1.8566 1.9361 2.0686 2.0891 2.4467 2.6105 2.8580 2.8971 2.9729 3.0971 3.1133 3.2837 3.8277 3.9111 4.1310 4.1452 6.5994 6.6214 6.7432 6.8019 6.8893 6.9510 6.9815 7.0303 k = 0.5000 0.3472 0.1147 ( 7218 PWs) bands (ev): -6.7492 -6.7489 -6.5503 -6.5503 -5.7777 -5.7772 -5.7675 -5.7672 -2.3550 -2.3414 -2.3241 -2.2997 -2.0522 -2.0273 -2.0064 -1.9762 -1.9701 -1.9590 -0.9858 -0.9515 -0.1932 -0.1848 0.8959 0.9708 1.6659 1.7413 1.8716 1.9400 2.0745 2.0927 2.4928 2.6385 2.8686 2.8846 2.9793 3.0860 3.0994 3.2622 3.8472 3.9151 4.1394 4.1497 6.5849 6.6025 6.7172 6.7770 6.8410 6.8964 6.9333 6.9787 k = 0.5000 0.3472 0.0918 ( 7238 PWs) bands (ev): -6.7557 -6.7554 -6.5546 -6.5546 -5.7688 -5.7684 -5.7621 -5.7619 -2.3540 -2.3428 -2.3207 -2.3010 -2.0491 -2.0272 -2.0044 -1.9769 -1.9704 -1.9601 -1.0042 -0.9761 -0.1966 -0.1897 0.9259 0.9873 1.6817 1.7405 1.8858 1.9419 2.0799 2.0953 2.5394 2.6635 2.8717 2.8759 2.9837 3.0674 3.1006 3.2409 3.8643 3.9171 4.1476 4.1548 6.5763 6.5899 6.6985 6.7592 6.7981 6.8483 6.8892 6.9315 k = 0.5000 0.3472 0.0688 ( 7238 PWs) bands (ev): -6.7608 -6.7606 -6.5580 -6.5580 -5.7617 -5.7614 -5.7579 -5.7577 -2.3528 -2.3443 -2.3175 -2.3025 -2.0460 -2.0286 -2.0010 -1.9788 -1.9697 -1.9614 -1.0180 -0.9966 -0.1992 -0.1940 0.9511 0.9980 1.6954 1.7384 1.8988 1.9415 2.0849 2.0968 2.5843 2.6835 2.8615 2.8761 2.9872 3.0503 3.1087 3.2197 3.8787 3.9173 4.1549 4.1599 6.5731 6.5828 6.6867 6.7456 6.7646 6.8081 6.8507 6.8893 k = 0.5000 0.3472 0.0459 ( 7236 PWs) bands (ev): -6.7644 -6.7643 -6.5605 -6.5605 -5.7566 -5.7564 -5.7548 -5.7547 -2.3515 -2.3458 -2.3144 -2.3043 -2.0428 -2.0308 -1.9969 -1.9814 -1.9686 -1.9628 -1.0270 -1.0125 -0.2011 -0.1975 0.9715 1.0032 1.7070 1.7351 1.9102 1.9391 2.0891 2.0973 2.6254 2.6959 2.8535 2.8707 2.9921 3.0354 3.1219 3.1986 3.8906 3.9157 4.1608 4.1641 6.5737 6.5800 6.6813 6.7238 6.7525 6.7777 6.8207 6.8531 k = 0.5000 0.3472 0.0229 ( 7248 PWs) bands (ev): -6.7666 -6.7665 -6.5620 -6.5620 -5.7535 -5.7533 -5.7530 -5.7529 -2.3501 -2.3473 -2.3115 -2.3064 -2.0396 -2.0336 -1.9927 -1.9847 -1.9672 -1.9643 -1.0310 -1.0237 -0.2018 -0.2001 0.9870 1.0030 1.7166 1.7305 1.9201 1.9347 2.0926 2.0968 2.6600 2.6971 2.8504 2.8617 2.9998 3.0220 3.1387 3.1778 3.9000 3.9124 4.1649 4.1666 6.5764 6.5795 6.6817 6.7023 6.7517 6.7593 6.8040 6.8243 k = 0.5000 0.3472-0.0000 ( 7248 PWs) bands (ev): -6.7673 -6.7673 -6.5624 -6.5624 -5.7524 -5.7524 -5.7523 -5.7523 -2.3487 -2.3487 -2.3088 -2.3088 -2.0365 -2.0365 -1.9885 -1.9885 -1.9658 -1.9658 -1.0299 -1.0299 -0.2015 -0.2015 0.9975 0.9975 1.7244 1.7244 1.9283 1.9283 2.0952 2.0952 2.6849 2.6849 2.8536 2.8536 3.0100 3.0100 3.1576 3.1576 3.9072 3.9072 4.1669 4.1669 6.5787 6.5787 6.6883 6.6883 6.7526 6.7526 6.8061 6.8061 k = 0.0000 0.0000 0.8767 ( 7280 PWs) bands (ev): -6.3354 -6.3354 -6.3241 -6.3241 -6.1717 -6.1717 -5.9803 -5.9803 -2.3291 -2.3291 -2.3005 -2.3005 -2.0150 -2.0150 -1.9738 -1.9738 -1.9479 -1.9479 -0.9974 -0.9974 -0.7216 -0.7216 -0.1874 -0.1874 1.1910 1.1910 1.7004 1.7004 2.0319 2.0319 3.0617 3.0617 3.2667 3.2667 3.5024 3.5024 3.8954 3.8954 4.3539 4.3539 4.5269 4.5269 6.3583 6.3583 7.1861 7.1861 7.6427 7.6427 8.9306 8.9306 k = 0.0179 0.0124 0.8767 ( 7284 PWs) bands (ev): -6.3354 -6.3354 -6.3241 -6.3241 -6.1718 -6.1717 -5.9803 -5.9803 -2.3305 -2.3277 -2.3007 -2.3004 -2.0171 -2.0130 -1.9745 -1.9730 -1.9483 -1.9475 -0.9960 -0.9957 -0.7217 -0.7204 -0.1913 -0.1902 1.1865 1.1874 1.7024 1.7056 2.0347 2.0452 3.0572 3.0592 3.2655 3.2665 3.5002 3.5036 3.8905 3.8939 4.3512 4.3547 4.5243 4.5263 6.3635 6.3652 7.1895 7.1907 7.6407 7.6410 8.9288 8.9296 k = 0.0357 0.0248 0.8767 ( 7268 PWs) bands (ev): -6.3354 -6.3354 -6.3241 -6.3240 -6.1719 -6.1718 -5.9803 -5.9803 -2.3318 -2.3263 -2.3009 -2.3004 -2.0191 -2.0110 -1.9753 -1.9723 -1.9489 -1.9472 -0.9916 -0.9910 -0.7209 -0.7183 -0.2018 -0.1995 1.1743 1.1761 1.7125 1.7179 2.0530 2.0732 3.0460 3.0499 3.2629 3.2649 3.4969 3.5040 3.8795 3.8862 4.3466 4.3534 4.5187 4.5227 6.3808 6.3841 7.2007 7.2030 7.6350 7.6356 8.9242 8.9258 k = 0.0536 0.0372 0.8767 ( 7258 PWs) bands (ev): -6.3354 -6.3353 -6.3239 -6.3238 -6.1722 -6.1719 -5.9804 -5.9803 -2.3331 -2.3248 -2.3011 -2.3003 -2.0211 -2.0090 -1.9762 -1.9716 -1.9495 -1.9470 -0.9843 -0.9832 -0.7192 -0.7152 -0.2182 -0.2149 1.1554 1.1582 1.7314 1.7376 2.0849 2.1137 3.0280 3.0338 3.2586 3.2619 3.4925 3.5039 3.8625 3.8725 4.3407 4.3505 4.5107 4.5164 6.4095 6.4141 7.2190 7.2224 7.6253 7.6261 8.9164 8.9196 k = 0.0714 0.0496 0.8767 ( 7268 PWs) bands (ev): -6.3353 -6.3353 -6.3237 -6.3235 -6.1725 -6.1721 -5.9805 -5.9803 -2.3343 -2.3234 -2.3014 -2.3003 -2.0232 -2.0072 -1.9771 -1.9709 -1.9502 -1.9469 -0.9741 -0.9725 -0.7168 -0.7113 -0.2400 -0.2357 1.1313 1.1352 1.7594 1.7653 2.1276 2.1639 3.0035 3.0110 3.2525 3.2570 3.4871 3.5035 3.8401 3.8531 4.3338 4.3462 4.5008 4.5080 6.4487 6.4545 7.2438 7.2482 7.6114 7.6125 8.9057 8.9109 k = 0.0893 0.0620 0.8767 ( 7262 PWs) bands (ev): -6.3353 -6.3352 -6.3235 -6.3232 -6.1728 -6.1724 -5.9805 -5.9804 -2.3354 -2.3220 -2.3016 -2.3004 -2.0251 -2.0053 -1.9781 -1.9702 -1.9510 -1.9469 -0.9613 -0.9591 -0.7137 -0.7067 -0.2663 -0.2611 1.1039 1.1087 1.7959 1.8007 2.1781 2.2215 2.9728 2.9819 3.2442 3.2498 3.4808 3.5034 3.8132 3.8287 4.3264 4.3410 4.4899 4.4982 6.4973 6.5041 7.2737 7.2791 7.5930 7.5945 8.8920 8.9000 k = 0.1071 0.0744 0.8767 ( 7262 PWs) bands (ev): -6.3353 -6.3352 -6.3232 -6.3229 -6.1732 -6.1727 -5.9806 -5.9804 -2.3364 -2.3207 -2.3020 -2.3004 -2.0270 -2.0035 -1.9791 -1.9695 -1.9519 -1.9469 -0.9461 -0.9432 -0.7102 -0.7015 -0.2960 -0.2901 1.0750 1.0806 1.8402 1.8433 2.2340 2.2840 2.9364 2.9471 3.2333 3.2396 3.4738 3.5037 3.7831 3.8002 4.3191 4.3355 4.4785 4.4878 6.5541 6.5614 7.3069 7.3136 7.5700 7.5720 8.8757 8.8870 k = 0.1250 0.0868 0.8767 ( 7260 PWs) bands (ev): -6.3352 -6.3351 -6.3229 -6.3226 -6.1736 -6.1731 -5.9807 -5.9805 -2.3373 -2.3194 -2.3023 -2.3005 -2.0288 -2.0018 -1.9803 -1.9687 -1.9528 -1.9469 -0.9289 -0.9250 -0.7064 -0.6960 -0.3280 -0.3216 1.0462 1.0524 1.8908 1.8920 2.2927 2.3495 2.8951 2.9079 3.2197 3.2254 3.4663 3.5049 3.7514 3.7686 4.3121 4.3299 4.4675 4.4774 6.6176 6.6252 7.3412 7.3494 7.5424 7.5454 8.8571 8.8720 k = 0.1429 0.0992 0.8767 ( 7266 PWs) bands (ev): -6.3352 -6.3351 -6.3226 -6.3222 -6.1740 -6.1734 -5.9808 -5.9806 -2.3382 -2.3182 -2.3026 -2.3006 -2.0304 -2.0001 -1.9815 -1.9680 -1.9538 -1.9470 -0.9101 -0.9049 -0.7028 -0.6902 -0.3613 -0.3545 1.0188 1.0254 1.9457 1.9464 2.3518 2.4151 2.8503 2.8662 3.2029 3.2060 3.4584 3.5072 3.7202 3.7354 4.3057 4.3247 4.4572 4.4675 6.6864 6.6942 7.3720 7.3829 7.5121 7.5171 8.8370 8.8555 k = 0.1607 0.1116 0.8767 ( 7262 PWs) bands (ev): -6.3351 -6.3350 -6.3224 -6.3219 -6.1744 -6.1738 -5.9809 -5.9807 -2.3388 -2.3172 -2.3029 -2.3007 -2.0318 -1.9984 -1.9827 -1.9672 -1.9547 -1.9471 -0.8905 -0.8836 -0.6995 -0.6844 -0.3944 -0.3875 0.9940 1.0009 2.0027 2.0054 2.4081 2.4769 2.8040 2.8259 3.1802 3.1830 3.4506 3.5110 3.6913 3.7020 4.3001 4.3200 4.4481 4.4587 6.7592 6.7668 7.3881 7.4028 7.4880 7.4961 8.8167 8.8379 k = 0.1786 0.1240 0.8767 ( 7270 PWs) bands (ev): -6.3351 -6.3350 -6.3221 -6.3216 -6.1747 -6.1741 -5.9810 -5.9807 -2.3394 -2.3163 -2.3032 -2.3008 -2.0330 -1.9967 -1.9841 -1.9665 -1.9557 -1.9472 -0.8710 -0.8619 -0.6969 -0.6787 -0.4261 -0.4192 0.9725 0.9796 2.0613 2.0660 2.4572 2.5267 2.7600 2.7954 3.1470 3.1605 3.4434 3.5164 3.6665 3.6699 4.2954 4.3160 4.4405 4.4512 6.8347 6.8418 7.3719 7.3859 7.4916 7.4981 8.7976 8.8205 k = 0.1964 0.1364 0.8767 ( 7254 PWs) bands (ev): -6.3350 -6.3349 -6.3219 -6.3214 -6.1750 -6.1743 -5.9810 -5.9808 -2.3399 -2.3155 -2.3035 -2.3008 -2.0340 -1.9951 -1.9854 -1.9658 -1.9565 -1.9472 -0.8529 -0.8411 -0.6952 -0.6733 -0.4545 -0.4480 0.9551 0.9624 2.1188 2.1258 2.4918 2.5503 2.7252 2.7898 3.1064 3.1369 3.4372 3.5236 3.6404 3.6470 4.2917 4.3128 4.4344 4.4452 6.9115 6.9177 7.3288 7.3409 7.5122 7.5159 8.7811 8.8046 k = 0.2143 0.1488 0.8767 ( 7250 PWs) bands (ev): -6.3350 -6.3349 -6.3217 -6.3212 -6.1752 -6.1745 -5.9811 -5.9808 -2.3402 -2.3149 -2.3037 -2.3009 -2.0347 -1.9935 -1.9868 -1.9652 -1.9573 -1.9473 -0.8379 -0.8230 -0.6946 -0.6686 -0.4774 -0.4717 0.9424 0.9497 2.1711 2.1805 2.5039 2.5419 2.7077 2.8167 3.0598 3.1148 3.4325 3.5326 3.6147 3.6331 4.2890 4.3105 4.4301 4.4408 6.9883 6.9928 7.2726 7.2851 7.5320 7.5343 8.7684 8.7920 k = 0.2321 0.1612 0.8767 ( 7254 PWs) bands (ev): -6.3350 -6.3349 -6.3216 -6.3211 -6.1754 -6.1746 -5.9811 -5.9808 -2.3404 -2.3146 -2.3038 -2.3009 -2.0351 -1.9921 -1.9882 -1.9647 -1.9578 -1.9473 -0.8277 -0.8103 -0.6947 -0.6651 -0.4926 -0.4876 0.9345 0.9419 2.2107 2.2226 2.4971 2.5200 2.7063 2.8604 3.0119 3.0985 3.4296 3.5424 3.5945 3.6249 4.2873 4.3091 4.4275 4.4382 7.0635 7.0640 7.2091 7.2251 7.5452 7.5469 8.7604 8.7840 k = 0.2500 0.1736 0.8767 ( 7276 PWs) bands (ev): -6.3350 -6.3348 -6.3216 -6.3210 -6.1754 -6.1747 -5.9811 -5.9808 -2.3405 -2.3145 -2.3039 -2.3009 -2.0353 -1.9913 -1.9890 -1.9646 -1.9580 -1.9473 -0.8242 -0.8056 -0.6949 -0.6638 -0.4980 -0.4933 0.9319 0.9393 2.2263 2.2394 2.4909 2.5088 2.7081 2.8881 2.9839 3.0923 3.4286 3.5480 3.5854 3.6221 4.2868 4.3087 4.4266 4.4373 7.1088 7.1244 7.1521 7.1839 7.5498 7.5513 8.7577 8.7812 Writing output data file Al2ZnTe4.save init_run : 2.64s CPU 11.79s WALL ( 1 calls) electrons : 755.89s CPU 763.45s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.44s CPU 1.49s WALL ( 1 calls) Called by electrons: c_bands : 755.87s CPU 763.16s WALL ( 1 calls) v_of_rho : 0.24s CPU 1.05s WALL ( 1 calls) v_h : 0.02s CPU 0.10s WALL ( 1 calls) v_xc : 0.22s CPU 0.62s WALL ( 1 calls) newd : 0.53s CPU 0.58s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.22s WALL ( 262 calls) cegterg : 698.81s CPU 702.75s WALL ( 556 calls) Called by sum_band: Called by *egterg: h_psi : 460.15s CPU 466.73s WALL ( 9076 calls) s_psi : 25.28s CPU 25.56s WALL ( 9076 calls) g_psi : 0.75s CPU 0.82s WALL ( 8258 calls) cdiaghg : 157.78s CPU 155.91s WALL ( 8520 calls) cegterg:over : 46.75s CPU 44.99s WALL ( 8258 calls) cegterg:upda : 13.05s CPU 15.68s WALL ( 8258 calls) cegterg:last : 10.17s CPU 10.72s WALL ( 1377 calls) Called by h_psi: h_psi:vloc : 398.28s CPU 403.13s WALL ( 9076 calls) h_psi:vnl : 61.46s CPU 62.57s WALL ( 9076 calls) add_vuspsi : 21.84s CPU 25.00s WALL ( 9076 calls) General routines calbec : 39.58s CPU 37.51s WALL ( 9076 calls) fft : 0.52s CPU 1.44s WALL ( 19 calls) ffts : 0.01s CPU 0.01s WALL ( 4 calls) fftw : 378.45s CPU 379.00s WALL ( 863572 calls) interpolate : 0.01s CPU 0.02s WALL ( 4 calls) davcio : 0.03s CPU 1.68s WALL ( 524 calls) Parallel routines fft_scatter : 221.72s CPU 221.17s WALL ( 863595 calls) PWSCF : 13m33.22s CPU 15m40.53s WALL This run was terminated on: 1: 4: 2 24Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=