Program PWSCF v.5.1.1 starts on 22Nov2015 at 23:33:55 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: ./AlBiO3.save/ 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 48 28 7 1545 672 101 Max 49 29 8 1550 691 106 Sum 2347 1357 383 74281 32845 5029 bravais-lattice index = 14 lattice parameter (alat) = 10.2748 a.u. unit-cell volume = 753.9214 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 3 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.274818 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.511291 celldm(5)= 0.511291 celldm(6)= 0.511291 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.511291 0.859408 0.000000 ) a(3) = ( 0.511291 0.290750 0.808731 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.594934 -0.418327 ) b(2) = ( 0.000000 1.163592 -0.418327 ) b(3) = ( 0.000000 0.000000 1.236504 ) PseudoPot. # 1 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Bi read from file: /home/autes/Pseudo/Bi_MT_PBE.UPF MD5 check sum: b574f8a1102dd4d1778b4090b55884d0 Pseudo is Norm-conserving, Zval = 5.0 Generated using "atomic" code by A. Dal Corso (espresso distribution) Using radial grid of 1283 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 3 for Al read from file: /home/autes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Bi 5.00 208.98040 Bi( 1.00) Al 3.00 26.98150 Al( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 265 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 k( 2) = ( 0.0138889 -0.0082630 -0.0058101), wk = 0.0037736 k( 3) = ( 0.0277778 -0.0165259 -0.0116202), wk = 0.0037736 k( 4) = ( 0.0416667 -0.0247889 -0.0174303), wk = 0.0037736 k( 5) = ( 0.0555556 -0.0330519 -0.0232404), wk = 0.0037736 k( 6) = ( 0.0694444 -0.0413148 -0.0290505), wk = 0.0037736 k( 7) = ( 0.0833333 -0.0495778 -0.0348605), wk = 0.0037736 k( 8) = ( 0.0972222 -0.0578408 -0.0406706), wk = 0.0037736 k( 9) = ( 0.1111111 -0.0661037 -0.0464807), wk = 0.0037736 k( 10) = ( 0.1250000 -0.0743667 -0.0522908), wk = 0.0037736 k( 11) = ( 0.1388889 -0.0826297 -0.0581009), wk = 0.0037736 k( 12) = ( 0.1527778 -0.0908926 -0.0639110), wk = 0.0037736 k( 13) = ( 0.1666667 -0.0991556 -0.0697211), wk = 0.0037736 k( 14) = ( 0.1805556 -0.1074186 -0.0755312), wk = 0.0037736 k( 15) = ( 0.1944444 -0.1156815 -0.0813413), wk = 0.0037736 k( 16) = ( 0.2083333 -0.1239445 -0.0871514), wk = 0.0037736 k( 17) = ( 0.2222222 -0.1322075 -0.0929615), wk = 0.0037736 k( 18) = ( 0.2361111 -0.1404704 -0.0987716), wk = 0.0037736 k( 19) = ( 0.2500000 -0.1487334 -0.1045816), wk = 0.0037736 k( 20) = ( 0.2638889 -0.1569964 -0.1103917), wk = 0.0037736 k( 21) = ( 0.2777778 -0.1652593 -0.1162018), wk = 0.0037736 k( 22) = ( 0.2916667 -0.1735223 -0.1220119), wk = 0.0037736 k( 23) = ( 0.3055556 -0.1817853 -0.1278220), wk = 0.0037736 k( 24) = ( 0.3194444 -0.1900482 -0.1336321), wk = 0.0037736 k( 25) = ( 0.3333333 -0.1983112 -0.1394422), wk = 0.0037736 k( 26) = ( 0.3472222 -0.2065741 -0.1452523), wk = 0.0037736 k( 27) = ( 0.3611111 -0.2148371 -0.1510624), wk = 0.0037736 k( 28) = ( 0.3750000 -0.2231001 -0.1568725), wk = 0.0037736 k( 29) = ( 0.3888889 -0.2313630 -0.1626826), wk = 0.0037736 k( 30) = ( 0.4027778 -0.2396260 -0.1684927), wk = 0.0037736 k( 31) = ( 0.4166667 -0.2478890 -0.1743028), wk = 0.0037736 k( 32) = ( 0.4305556 -0.2561519 -0.1801128), wk = 0.0037736 k( 33) = ( 0.4444444 -0.2644149 -0.1859229), wk = 0.0037736 k( 34) = ( 0.4583333 -0.2726779 -0.1917330), wk = 0.0037736 k( 35) = ( 0.4722222 -0.2809408 -0.1975431), wk = 0.0037736 k( 36) = ( 0.4861111 -0.2892038 -0.2033532), wk = 0.0037736 k( 37) = ( 0.5000000 -0.2974668 -0.2091633), wk = 0.0037736 k( 38) = ( 0.5000000 -0.2974668 -0.2091633), wk = 0.0037736 k( 39) = ( 0.5000000 -0.2875478 -0.2232698), wk = 0.0037736 k( 40) = ( 0.5000000 -0.2776288 -0.2373763), wk = 0.0037736 k( 41) = ( 0.5000000 -0.2677099 -0.2514828), wk = 0.0037736 k( 42) = ( 0.5000000 -0.2577909 -0.2655893), wk = 0.0037736 k( 43) = ( 0.5000000 -0.2478719 -0.2796959), wk = 0.0037736 k( 44) = ( 0.5000000 -0.2379529 -0.2938024), wk = 0.0037736 k( 45) = ( 0.5000000 -0.2280340 -0.3079089), wk = 0.0037736 k( 46) = ( 0.5000000 -0.2181150 -0.3220154), wk = 0.0037736 k( 47) = ( 0.5000000 -0.2081960 -0.3361219), wk = 0.0037736 k( 48) = ( 0.5000000 -0.1982770 -0.3502284), wk = 0.0037736 k( 49) = ( 0.5000000 -0.1883581 -0.3643349), wk = 0.0037736 k( 50) = ( 0.5000000 -0.1784391 -0.3784415), wk = 0.0037736 k( 51) = ( 0.5000000 -0.1685201 -0.3925480), wk = 0.0037736 k( 52) = ( 0.5000000 -0.1586012 -0.4066545), wk = 0.0037736 k( 53) = ( 0.5000000 -0.1486822 -0.4207610), wk = 0.0037736 k( 54) = ( 0.5000000 -0.1387632 -0.4348675), wk = 0.0037736 k( 55) = ( 0.5000000 -0.1288442 -0.4489740), wk = 0.0037736 k( 56) = ( 0.5000000 -0.1189253 -0.4630805), wk = 0.0037736 k( 57) = ( 0.5000000 -0.1090063 -0.4771871), wk = 0.0037736 k( 58) = ( 0.5000000 -0.0990873 -0.4912936), wk = 0.0037736 k( 59) = ( 0.5000000 -0.0891683 -0.5054001), wk = 0.0037736 k( 60) = ( 0.5000000 -0.0792494 -0.5195066), wk = 0.0037736 k( 61) = ( 0.5000000 -0.0693304 -0.5336131), wk = 0.0037736 k( 62) = ( 0.5000000 -0.0594114 -0.5477196), wk = 0.0037736 k( 63) = ( 0.5000000 -0.0494925 -0.5618261), wk = 0.0037736 k( 64) = ( 0.5000000 -0.0395735 -0.5759327), wk = 0.0037736 k( 65) = ( 0.5000000 -0.0296545 -0.5900392), wk = 0.0037736 k( 66) = ( 0.5000000 -0.0197355 -0.6041457), wk = 0.0037736 k( 67) = ( 0.5000000 -0.0098166 -0.6182522), wk = 0.0037736 k( 68) = ( 0.7527911 0.1339352 -0.2184010), wk = 0.0037736 k( 69) = ( 0.7443648 0.1389483 -0.2044568), wk = 0.0037736 k( 70) = ( 0.7359384 0.1439615 -0.1905126), wk = 0.0037736 k( 71) = ( 0.7275120 0.1489746 -0.1765683), wk = 0.0037736 k( 72) = ( 0.7190857 0.1539877 -0.1626241), wk = 0.0037736 k( 73) = ( 0.7106593 0.1590009 -0.1486799), wk = 0.0037736 k( 74) = ( 0.7022329 0.1640140 -0.1347357), wk = 0.0037736 k( 75) = ( 0.6938065 0.1690271 -0.1207915), wk = 0.0037736 k( 76) = ( 0.6853802 0.1740403 -0.1068472), wk = 0.0037736 k( 77) = ( 0.6769538 0.1790534 -0.0929030), wk = 0.0037736 k( 78) = ( 0.6685274 0.1840665 -0.0789588), wk = 0.0037736 k( 79) = ( 0.6601010 0.1890797 -0.0650146), wk = 0.0037736 k( 80) = ( 0.6516747 0.1940928 -0.0510704), wk = 0.0037736 k( 81) = ( 0.6432483 0.1991059 -0.0371262), wk = 0.0037736 k( 82) = ( 0.6348219 0.2041190 -0.0231819), wk = 0.0037736 k( 83) = ( 0.6263956 0.2091322 -0.0092377), wk = 0.0037736 k( 84) = ( 0.6179692 0.2141453 0.0047065), wk = 0.0037736 k( 85) = ( 0.6095428 0.2191584 0.0186507), wk = 0.0037736 k( 86) = ( 0.6011165 0.2241716 0.0325950), wk = 0.0037736 k( 87) = ( 0.5926901 0.2291847 0.0465392), wk = 0.0037736 k( 88) = ( 0.5842637 0.2341978 0.0604834), wk = 0.0037736 k( 89) = ( 0.5758373 0.2392110 0.0744276), wk = 0.0037736 k( 90) = ( 0.5674110 0.2442241 0.0883718), wk = 0.0037736 k( 91) = ( 0.5589846 0.2492372 0.1023160), wk = 0.0037736 k( 92) = ( 0.5505582 0.2542503 0.1162603), wk = 0.0037736 k( 93) = ( 0.5421319 0.2592635 0.1302045), wk = 0.0037736 k( 94) = ( 0.5337055 0.2642766 0.1441487), wk = 0.0037736 k( 95) = ( 0.5252791 0.2692897 0.1580929), wk = 0.0037736 k( 96) = ( 0.5168527 0.2743029 0.1720372), wk = 0.0037736 k( 97) = ( 0.5084264 0.2793160 0.1859814), wk = 0.0037736 k( 98) = ( 0.5000000 0.2843291 0.1999256), wk = 0.0037736 k( 99) = ( 0.5000000 0.2843291 0.1999256), wk = 0.0037736 k( 100) = ( 0.4861111 0.2764311 0.1943721), wk = 0.0037736 k( 101) = ( 0.4722222 0.2685331 0.1888186), wk = 0.0037736 k( 102) = ( 0.4583333 0.2606350 0.1832651), wk = 0.0037736 k( 103) = ( 0.4444444 0.2527370 0.1777116), wk = 0.0037736 k( 104) = ( 0.4305556 0.2448390 0.1721581), wk = 0.0037736 k( 105) = ( 0.4166667 0.2369409 0.1666047), wk = 0.0037736 k( 106) = ( 0.4027778 0.2290429 0.1610512), wk = 0.0037736 k( 107) = ( 0.3888889 0.2211449 0.1554977), wk = 0.0037736 k( 108) = ( 0.3750000 0.2132469 0.1499442), wk = 0.0037736 k( 109) = ( 0.3611111 0.2053488 0.1443907), wk = 0.0037736 k( 110) = ( 0.3472222 0.1974508 0.1388372), wk = 0.0037736 k( 111) = ( 0.3333333 0.1895528 0.1332837), wk = 0.0037736 k( 112) = ( 0.3194444 0.1816547 0.1277302), wk = 0.0037736 k( 113) = ( 0.3055556 0.1737567 0.1221768), wk = 0.0037736 k( 114) = ( 0.2916667 0.1658587 0.1166233), wk = 0.0037736 k( 115) = ( 0.2777778 0.1579606 0.1110698), wk = 0.0037736 k( 116) = ( 0.2638889 0.1500626 0.1055163), wk = 0.0037736 k( 117) = ( 0.2500000 0.1421646 0.0999628), wk = 0.0037736 k( 118) = ( 0.2361111 0.1342665 0.0944093), wk = 0.0037736 k( 119) = ( 0.2222222 0.1263685 0.0888558), wk = 0.0037736 k( 120) = ( 0.2083333 0.1184705 0.0833023), wk = 0.0037736 k( 121) = ( 0.1944444 0.1105724 0.0777488), wk = 0.0037736 k( 122) = ( 0.1805556 0.1026744 0.0721954), wk = 0.0037736 k( 123) = ( 0.1666667 0.0947764 0.0666419), wk = 0.0037736 k( 124) = ( 0.1527778 0.0868783 0.0610884), wk = 0.0037736 k( 125) = ( 0.1388889 0.0789803 0.0555349), wk = 0.0037736 k( 126) = ( 0.1250000 0.0710823 0.0499814), wk = 0.0037736 k( 127) = ( 0.1111111 0.0631843 0.0444279), wk = 0.0037736 k( 128) = ( 0.0972222 0.0552862 0.0388744), wk = 0.0037736 k( 129) = ( 0.0833333 0.0473882 0.0333209), wk = 0.0037736 k( 130) = ( 0.0694444 0.0394902 0.0277674), wk = 0.0037736 k( 131) = ( 0.0555556 0.0315921 0.0222140), wk = 0.0037736 k( 132) = ( 0.0416667 0.0236941 0.0166605), wk = 0.0037736 k( 133) = ( 0.0277778 0.0157961 0.0111070), wk = 0.0037736 k( 134) = ( 0.0138889 0.0078980 0.0055535), wk = 0.0037736 k( 135) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 k( 137) = ( 0.0084910 -0.0050516 -0.0140512), wk = 0.0037736 k( 138) = ( 0.0169820 -0.0101032 -0.0281024), wk = 0.0037736 k( 139) = ( 0.0254730 -0.0151548 -0.0421536), wk = 0.0037736 k( 140) = ( 0.0339640 -0.0202063 -0.0562047), wk = 0.0037736 k( 141) = ( 0.0424551 -0.0252579 -0.0702559), wk = 0.0037736 k( 142) = ( 0.0509461 -0.0303095 -0.0843071), wk = 0.0037736 k( 143) = ( 0.0594371 -0.0353611 -0.0983583), wk = 0.0037736 k( 144) = ( 0.0679281 -0.0404127 -0.1124095), wk = 0.0037736 k( 145) = ( 0.0764191 -0.0454643 -0.1264607), wk = 0.0037736 k( 146) = ( 0.0849101 -0.0505159 -0.1405119), wk = 0.0037736 k( 147) = ( 0.0934011 -0.0555675 -0.1545630), wk = 0.0037736 k( 148) = ( 0.1018921 -0.0606190 -0.1686142), wk = 0.0037736 k( 149) = ( 0.1103831 -0.0656706 -0.1826654), wk = 0.0037736 k( 150) = ( 0.1188741 -0.0707222 -0.1967166), wk = 0.0037736 k( 151) = ( 0.1273652 -0.0757738 -0.2107678), wk = 0.0037736 k( 152) = ( 0.1358562 -0.0808254 -0.2248190), wk = 0.0037736 k( 153) = ( 0.1443472 -0.0858770 -0.2388702), wk = 0.0037736 k( 154) = ( 0.1528382 -0.0909286 -0.2529214), wk = 0.0037736 k( 155) = ( 0.1613292 -0.0959801 -0.2669725), wk = 0.0037736 k( 156) = ( 0.1698202 -0.1010317 -0.2810237), wk = 0.0037736 k( 157) = ( 0.1783112 -0.1060833 -0.2950749), wk = 0.0037736 k( 158) = ( 0.1868022 -0.1111349 -0.3091261), wk = 0.0037736 k( 159) = ( 0.1952932 -0.1161865 -0.3231773), wk = 0.0037736 k( 160) = ( 0.2037842 -0.1212381 -0.3372285), wk = 0.0037736 k( 161) = ( 0.2122752 -0.1262897 -0.3512797), wk = 0.0037736 k( 162) = ( 0.2207663 -0.1313413 -0.3653308), wk = 0.0037736 k( 163) = ( 0.2292573 -0.1363928 -0.3793820), wk = 0.0037736 k( 164) = ( 0.2377483 -0.1414444 -0.3934332), wk = 0.0037736 k( 165) = ( 0.2462393 -0.1464960 -0.4074844), wk = 0.0037736 k( 166) = ( 0.2547303 -0.1515476 -0.4215356), wk = 0.0037736 k( 167) = ( 0.2632213 -0.1565992 -0.4355868), wk = 0.0037736 k( 168) = ( 0.2717123 -0.1616508 -0.4496379), wk = 0.0037736 k( 169) = ( 0.2802033 -0.1667024 -0.4636891), wk = 0.0037736 k( 170) = ( 0.2886943 -0.1717539 -0.4777403), wk = 0.0037736 k( 171) = ( 0.2971853 -0.1768055 -0.4917915), wk = 0.0037736 k( 172) = ( 0.3056763 -0.1818571 -0.5058427), wk = 0.0037736 k( 173) = ( 0.3141674 -0.1869087 -0.5198939), wk = 0.0037736 k( 174) = ( 0.3226584 -0.1919603 -0.5339451), wk = 0.0037736 k( 175) = ( 0.3311494 -0.1970119 -0.5479963), wk = 0.0037736 k( 176) = ( 0.3396404 -0.2020635 -0.5620474), wk = 0.0037736 k( 177) = ( 0.3481314 -0.2071150 -0.5760986), wk = 0.0037736 k( 178) = ( 0.3566224 -0.2121666 -0.5901498), wk = 0.0037736 k( 179) = ( 0.3651134 -0.2172182 -0.6042010), wk = 0.0037736 k( 180) = ( 0.3736044 -0.2222698 -0.6182522), wk = 0.0037736 k( 181) = ( 0.6263956 0.0620593 -0.4183266), wk = 0.0037736 k( 182) = ( 0.6179692 0.0768773 -0.4183266), wk = 0.0037736 k( 183) = ( 0.6095428 0.0916953 -0.4183266), wk = 0.0037736 k( 184) = ( 0.6011165 0.1065133 -0.4183266), wk = 0.0037736 k( 185) = ( 0.5926901 0.1213313 -0.4183266), wk = 0.0037736 k( 186) = ( 0.5842637 0.1361493 -0.4183266), wk = 0.0037736 k( 187) = ( 0.5758373 0.1509673 -0.4183266), wk = 0.0037736 k( 188) = ( 0.5674110 0.1657852 -0.4183266), wk = 0.0037736 k( 189) = ( 0.5589846 0.1806032 -0.4183266), wk = 0.0037736 k( 190) = ( 0.5505582 0.1954212 -0.4183266), wk = 0.0037736 k( 191) = ( 0.5421319 0.2102392 -0.4183266), wk = 0.0037736 k( 192) = ( 0.5337055 0.2250572 -0.4183266), wk = 0.0037736 k( 193) = ( 0.5252791 0.2398752 -0.4183266), wk = 0.0037736 k( 194) = ( 0.5168527 0.2546932 -0.4183266), wk = 0.0037736 k( 195) = ( 0.5084264 0.2695112 -0.4183266), wk = 0.0037736 k( 196) = ( 0.5000000 0.2843291 -0.4183266), wk = 0.0037736 k( 197) = ( 0.5000000 0.2843291 -0.4183266), wk = 0.0037736 k( 198) = ( 0.5084264 0.2891209 -0.4049982), wk = 0.0037736 k( 199) = ( 0.5168527 0.2939126 -0.3916699), wk = 0.0037736 k( 200) = ( 0.5252791 0.2987043 -0.3783415), wk = 0.0037736 k( 201) = ( 0.5337055 0.3034960 -0.3650131), wk = 0.0037736 k( 202) = ( 0.5421319 0.3082878 -0.3516847), wk = 0.0037736 k( 203) = ( 0.5505582 0.3130795 -0.3383564), wk = 0.0037736 k( 204) = ( 0.5589846 0.3178712 -0.3250280), wk = 0.0037736 k( 205) = ( 0.5674110 0.3226629 -0.3116996), wk = 0.0037736 k( 206) = ( 0.5758373 0.3274547 -0.2983712), wk = 0.0037736 k( 207) = ( 0.5842637 0.3322464 -0.2850429), wk = 0.0037736 k( 208) = ( 0.5926901 0.3370381 -0.2717145), wk = 0.0037736 k( 209) = ( 0.6011165 0.3418298 -0.2583861), wk = 0.0037736 k( 210) = ( 0.6095428 0.3466216 -0.2450578), wk = 0.0037736 k( 211) = ( 0.6179692 0.3514133 -0.2317294), wk = 0.0037736 k( 212) = ( 0.6263956 0.3562050 -0.2184010), wk = 0.0037736 k( 213) = ( 0.6263956 0.3562050 -0.2184010), wk = 0.0037736 k( 214) = ( 0.6215342 0.3534406 -0.2023115), wk = 0.0037736 k( 215) = ( 0.6166728 0.3506761 -0.1862220), wk = 0.0037736 k( 216) = ( 0.6118115 0.3479116 -0.1701326), wk = 0.0037736 k( 217) = ( 0.6069501 0.3451472 -0.1540431), wk = 0.0037736 k( 218) = ( 0.6020887 0.3423827 -0.1379536), wk = 0.0037736 k( 219) = ( 0.5972274 0.3396183 -0.1218641), wk = 0.0037736 k( 220) = ( 0.5923660 0.3368538 -0.1057746), wk = 0.0037736 k( 221) = ( 0.5875046 0.3340894 -0.0896851), wk = 0.0037736 k( 222) = ( 0.5826433 0.3313249 -0.0735957), wk = 0.0037736 k( 223) = ( 0.5777819 0.3285605 -0.0575062), wk = 0.0037736 k( 224) = ( 0.5729205 0.3257960 -0.0414167), wk = 0.0037736 k( 225) = ( 0.5680591 0.3230315 -0.0253272), wk = 0.0037736 k( 226) = ( 0.5631978 0.3202671 -0.0092377), wk = 0.0037736 k( 227) = ( 0.5583364 0.3175026 0.0068518), wk = 0.0037736 k( 228) = ( 0.5534750 0.3147382 0.0229413), wk = 0.0037736 k( 229) = ( 0.5486137 0.3119737 0.0390307), wk = 0.0037736 k( 230) = ( 0.5437523 0.3092092 0.0551202), wk = 0.0037736 k( 231) = ( 0.5388909 0.3064448 0.0712097), wk = 0.0037736 k( 232) = ( 0.5340296 0.3036803 0.0872992), wk = 0.0037736 k( 233) = ( 0.5291682 0.3009159 0.1033887), wk = 0.0037736 k( 234) = ( 0.5243068 0.2981514 0.1194782), wk = 0.0037736 k( 235) = ( 0.5194455 0.2953870 0.1355677), wk = 0.0037736 k( 236) = ( 0.5145841 0.2926225 0.1516571), wk = 0.0037736 k( 237) = ( 0.5097227 0.2898581 0.1677466), wk = 0.0037736 k( 238) = ( 0.5048614 0.2870936 0.1838361), wk = 0.0037736 k( 239) = ( 0.5000000 0.2843291 0.1999256), wk = 0.0037736 k( 240) = ( 0.5000000 -0.2974668 -0.2091633), wk = 0.0037736 k( 241) = ( 0.5101117 -0.2860936 -0.2011663), wk = 0.0037736 k( 242) = ( 0.5202233 -0.2747204 -0.1931693), wk = 0.0037736 k( 243) = ( 0.5303349 -0.2633473 -0.1851722), wk = 0.0037736 k( 244) = ( 0.5404466 -0.2519741 -0.1771752), wk = 0.0037736 k( 245) = ( 0.5505582 -0.2406009 -0.1691782), wk = 0.0037736 k( 246) = ( 0.5606699 -0.2292278 -0.1611812), wk = 0.0037736 k( 247) = ( 0.5707815 -0.2178546 -0.1531841), wk = 0.0037736 k( 248) = ( 0.5808932 -0.2064814 -0.1451871), wk = 0.0037736 k( 249) = ( 0.5910048 -0.1951083 -0.1371901), wk = 0.0037736 k( 250) = ( 0.6011165 -0.1837351 -0.1291931), wk = 0.0037736 k( 251) = ( 0.6112281 -0.1723620 -0.1211960), wk = 0.0037736 k( 252) = ( 0.6213397 -0.1609888 -0.1131990), wk = 0.0037736 k( 253) = ( 0.6314514 -0.1496156 -0.1052020), wk = 0.0037736 k( 254) = ( 0.6415630 -0.1382425 -0.0972050), wk = 0.0037736 k( 255) = ( 0.6516747 -0.1268693 -0.0892079), wk = 0.0037736 k( 256) = ( 0.6617863 -0.1154961 -0.0812109), wk = 0.0037736 k( 257) = ( 0.6718980 -0.1041230 -0.0732139), wk = 0.0037736 k( 258) = ( 0.6820096 -0.0927498 -0.0652169), wk = 0.0037736 k( 259) = ( 0.6921213 -0.0813766 -0.0572198), wk = 0.0037736 k( 260) = ( 0.7022329 -0.0700035 -0.0492228), wk = 0.0037736 k( 261) = ( 0.7123445 -0.0586303 -0.0412258), wk = 0.0037736 k( 262) = ( 0.7224562 -0.0472571 -0.0332288), wk = 0.0037736 k( 263) = ( 0.7325678 -0.0358840 -0.0252318), wk = 0.0037736 k( 264) = ( 0.7426795 -0.0245108 -0.0172347), wk = 0.0037736 k( 265) = ( 0.7527911 -0.0131376 -0.0092377), wk = 0.0037736 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 k( 2) = ( 0.0138889 -0.0000000 0.0000000), wk = 0.0037736 k( 3) = ( 0.0277778 -0.0000000 0.0000000), wk = 0.0037736 k( 4) = ( 0.0416667 -0.0000000 0.0000000), wk = 0.0037736 k( 5) = ( 0.0555556 -0.0000000 0.0000000), wk = 0.0037736 k( 6) = ( 0.0694444 -0.0000000 0.0000000), wk = 0.0037736 k( 7) = ( 0.0833333 0.0000000 0.0000000), wk = 0.0037736 k( 8) = ( 0.0972222 0.0000000 0.0000000), wk = 0.0037736 k( 9) = ( 0.1111111 -0.0000000 0.0000000), wk = 0.0037736 k( 10) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0037736 k( 11) = ( 0.1388889 -0.0000000 0.0000000), wk = 0.0037736 k( 12) = ( 0.1527778 0.0000000 -0.0000000), wk = 0.0037736 k( 13) = ( 0.1666667 -0.0000000 0.0000000), wk = 0.0037736 k( 14) = ( 0.1805556 0.0000000 -0.0000000), wk = 0.0037736 k( 15) = ( 0.1944444 0.0000000 0.0000000), wk = 0.0037736 k( 16) = ( 0.2083333 0.0000000 0.0000000), wk = 0.0037736 k( 17) = ( 0.2222222 -0.0000000 0.0000000), wk = 0.0037736 k( 18) = ( 0.2361111 0.0000000 -0.0000000), wk = 0.0037736 k( 19) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0037736 k( 20) = ( 0.2638889 0.0000000 -0.0000000), wk = 0.0037736 k( 21) = ( 0.2777778 -0.0000000 0.0000000), wk = 0.0037736 k( 22) = ( 0.2916667 0.0000000 0.0000000), wk = 0.0037736 k( 23) = ( 0.3055556 0.0000000 -0.0000000), wk = 0.0037736 k( 24) = ( 0.3194444 0.0000000 0.0000000), wk = 0.0037736 k( 25) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0037736 k( 26) = ( 0.3472222 0.0000000 -0.0000000), wk = 0.0037736 k( 27) = ( 0.3611111 0.0000000 0.0000000), wk = 0.0037736 k( 28) = ( 0.3750000 -0.0000000 -0.0000000), wk = 0.0037736 k( 29) = ( 0.3888889 0.0000000 0.0000000), wk = 0.0037736 k( 30) = ( 0.4027778 0.0000000 0.0000000), wk = 0.0037736 k( 31) = ( 0.4166667 -0.0000000 0.0000000), wk = 0.0037736 k( 32) = ( 0.4305556 -0.0000000 0.0000000), wk = 0.0037736 k( 33) = ( 0.4444444 -0.0000000 0.0000000), wk = 0.0037736 k( 34) = ( 0.4583333 -0.0000000 -0.0000000), wk = 0.0037736 k( 35) = ( 0.4722222 0.0000000 -0.0000000), wk = 0.0037736 k( 36) = ( 0.4861111 0.0000000 0.0000000), wk = 0.0037736 k( 37) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0037736 k( 38) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0037736 k( 39) = ( 0.5000000 0.0085244 -0.0085244), wk = 0.0037736 k( 40) = ( 0.5000000 0.0170489 -0.0170489), wk = 0.0037736 k( 41) = ( 0.5000000 0.0255733 -0.0255733), wk = 0.0037736 k( 42) = ( 0.5000000 0.0340978 -0.0340978), wk = 0.0037736 k( 43) = ( 0.5000000 0.0426222 -0.0426222), wk = 0.0037736 k( 44) = ( 0.5000000 0.0511467 -0.0511467), wk = 0.0037736 k( 45) = ( 0.5000000 0.0596711 -0.0596711), wk = 0.0037736 k( 46) = ( 0.5000000 0.0681955 -0.0681955), wk = 0.0037736 k( 47) = ( 0.5000000 0.0767200 -0.0767200), wk = 0.0037736 k( 48) = ( 0.5000000 0.0852444 -0.0852444), wk = 0.0037736 k( 49) = ( 0.5000000 0.0937689 -0.0937689), wk = 0.0037736 k( 50) = ( 0.5000000 0.1022933 -0.1022933), wk = 0.0037736 k( 51) = ( 0.5000000 0.1108178 -0.1108178), wk = 0.0037736 k( 52) = ( 0.5000000 0.1193422 -0.1193422), wk = 0.0037736 k( 53) = ( 0.5000000 0.1278666 -0.1278666), wk = 0.0037736 k( 54) = ( 0.5000000 0.1363911 -0.1363911), wk = 0.0037736 k( 55) = ( 0.5000000 0.1449155 -0.1449155), wk = 0.0037736 k( 56) = ( 0.5000000 0.1534400 -0.1534400), wk = 0.0037736 k( 57) = ( 0.5000000 0.1619644 -0.1619644), wk = 0.0037736 k( 58) = ( 0.5000000 0.1704889 -0.1704889), wk = 0.0037736 k( 59) = ( 0.5000000 0.1790133 -0.1790133), wk = 0.0037736 k( 60) = ( 0.5000000 0.1875378 -0.1875378), wk = 0.0037736 k( 61) = ( 0.5000000 0.1960622 -0.1960622), wk = 0.0037736 k( 62) = ( 0.5000000 0.2045866 -0.2045867), wk = 0.0037736 k( 63) = ( 0.5000000 0.2131111 -0.2131111), wk = 0.0037736 k( 64) = ( 0.5000000 0.2216355 -0.2216355), wk = 0.0037736 k( 65) = ( 0.5000000 0.2301600 -0.2301600), wk = 0.0037736 k( 66) = ( 0.5000000 0.2386844 -0.2386844), wk = 0.0037736 k( 67) = ( 0.5000000 0.2472089 -0.2472089), wk = 0.0037736 k( 68) = ( 0.7527911 0.5000000 0.2472089), wk = 0.0037736 k( 69) = ( 0.7443648 0.5000000 0.2556352), wk = 0.0037736 k( 70) = ( 0.7359384 0.5000000 0.2640616), wk = 0.0037736 k( 71) = ( 0.7275120 0.5000000 0.2724880), wk = 0.0037736 k( 72) = ( 0.7190857 0.5000000 0.2809144), wk = 0.0037736 k( 73) = ( 0.7106593 0.5000000 0.2893407), wk = 0.0037736 k( 74) = ( 0.7022329 0.5000000 0.2977671), wk = 0.0037736 k( 75) = ( 0.6938065 0.5000000 0.3061935), wk = 0.0037736 k( 76) = ( 0.6853802 0.5000000 0.3146198), wk = 0.0037736 k( 77) = ( 0.6769538 0.5000000 0.3230462), wk = 0.0037736 k( 78) = ( 0.6685274 0.5000000 0.3314726), wk = 0.0037736 k( 79) = ( 0.6601010 0.5000000 0.3398990), wk = 0.0037736 k( 80) = ( 0.6516747 0.5000000 0.3483253), wk = 0.0037736 k( 81) = ( 0.6432483 0.5000000 0.3567517), wk = 0.0037736 k( 82) = ( 0.6348219 0.5000000 0.3651781), wk = 0.0037736 k( 83) = ( 0.6263956 0.5000000 0.3736044), wk = 0.0037736 k( 84) = ( 0.6179692 0.5000000 0.3820308), wk = 0.0037736 k( 85) = ( 0.6095428 0.5000000 0.3904572), wk = 0.0037736 k( 86) = ( 0.6011165 0.5000000 0.3988836), wk = 0.0037736 k( 87) = ( 0.5926901 0.5000000 0.4073099), wk = 0.0037736 k( 88) = ( 0.5842637 0.5000000 0.4157363), wk = 0.0037736 k( 89) = ( 0.5758373 0.5000000 0.4241627), wk = 0.0037736 k( 90) = ( 0.5674110 0.5000000 0.4325890), wk = 0.0037736 k( 91) = ( 0.5589846 0.5000000 0.4410154), wk = 0.0037736 k( 92) = ( 0.5505582 0.5000000 0.4494418), wk = 0.0037736 k( 93) = ( 0.5421319 0.5000000 0.4578681), wk = 0.0037736 k( 94) = ( 0.5337055 0.5000000 0.4662945), wk = 0.0037736 k( 95) = ( 0.5252791 0.5000000 0.4747209), wk = 0.0037736 k( 96) = ( 0.5168527 0.5000000 0.4831473), wk = 0.0037736 k( 97) = ( 0.5084264 0.5000000 0.4915736), wk = 0.0037736 k( 98) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037736 k( 99) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037736 k( 100) = ( 0.4861111 0.4861111 0.4861111), wk = 0.0037736 k( 101) = ( 0.4722222 0.4722222 0.4722222), wk = 0.0037736 k( 102) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0037736 k( 103) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0037736 k( 104) = ( 0.4305556 0.4305556 0.4305556), wk = 0.0037736 k( 105) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0037736 k( 106) = ( 0.4027778 0.4027778 0.4027778), wk = 0.0037736 k( 107) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0037736 k( 108) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0037736 k( 109) = ( 0.3611111 0.3611111 0.3611111), wk = 0.0037736 k( 110) = ( 0.3472222 0.3472222 0.3472222), wk = 0.0037736 k( 111) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0037736 k( 112) = ( 0.3194444 0.3194444 0.3194444), wk = 0.0037736 k( 113) = ( 0.3055556 0.3055556 0.3055556), wk = 0.0037736 k( 114) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0037736 k( 115) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0037736 k( 116) = ( 0.2638889 0.2638889 0.2638889), wk = 0.0037736 k( 117) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0037736 k( 118) = ( 0.2361111 0.2361111 0.2361111), wk = 0.0037736 k( 119) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0037736 k( 120) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0037736 k( 121) = ( 0.1944444 0.1944444 0.1944444), wk = 0.0037736 k( 122) = ( 0.1805556 0.1805556 0.1805556), wk = 0.0037736 k( 123) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0037736 k( 124) = ( 0.1527778 0.1527778 0.1527778), wk = 0.0037736 k( 125) = ( 0.1388889 0.1388889 0.1388889), wk = 0.0037736 k( 126) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0037736 k( 127) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0037736 k( 128) = ( 0.0972222 0.0972222 0.0972222), wk = 0.0037736 k( 129) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0037736 k( 130) = ( 0.0694444 0.0694444 0.0694444), wk = 0.0037736 k( 131) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0037736 k( 132) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0037736 k( 133) = ( 0.0277778 0.0277778 0.0277778), wk = 0.0037736 k( 134) = ( 0.0138889 0.0138889 0.0138889), wk = 0.0037736 k( 135) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 k( 137) = ( 0.0084910 -0.0000000 -0.0084910), wk = 0.0037736 k( 138) = ( 0.0169820 -0.0000000 -0.0169820), wk = 0.0037736 k( 139) = ( 0.0254730 0.0000000 -0.0254730), wk = 0.0037736 k( 140) = ( 0.0339640 -0.0000000 -0.0339640), wk = 0.0037736 k( 141) = ( 0.0424551 0.0000000 -0.0424551), wk = 0.0037736 k( 142) = ( 0.0509461 0.0000000 -0.0509461), wk = 0.0037736 k( 143) = ( 0.0594371 -0.0000000 -0.0594371), wk = 0.0037736 k( 144) = ( 0.0679281 -0.0000000 -0.0679281), wk = 0.0037736 k( 145) = ( 0.0764191 0.0000000 -0.0764191), wk = 0.0037736 k( 146) = ( 0.0849101 0.0000000 -0.0849101), wk = 0.0037736 k( 147) = ( 0.0934011 0.0000000 -0.0934011), wk = 0.0037736 k( 148) = ( 0.1018921 0.0000000 -0.1018921), wk = 0.0037736 k( 149) = ( 0.1103831 0.0000000 -0.1103831), wk = 0.0037736 k( 150) = ( 0.1188741 -0.0000000 -0.1188741), wk = 0.0037736 k( 151) = ( 0.1273652 0.0000000 -0.1273652), wk = 0.0037736 k( 152) = ( 0.1358562 -0.0000000 -0.1358562), wk = 0.0037736 k( 153) = ( 0.1443472 0.0000000 -0.1443472), wk = 0.0037736 k( 154) = ( 0.1528382 0.0000000 -0.1528382), wk = 0.0037736 k( 155) = ( 0.1613292 0.0000000 -0.1613292), wk = 0.0037736 k( 156) = ( 0.1698202 0.0000000 -0.1698202), wk = 0.0037736 k( 157) = ( 0.1783112 0.0000000 -0.1783112), wk = 0.0037736 k( 158) = ( 0.1868022 0.0000000 -0.1868022), wk = 0.0037736 k( 159) = ( 0.1952932 0.0000000 -0.1952932), wk = 0.0037736 k( 160) = ( 0.2037842 0.0000000 -0.2037842), wk = 0.0037736 k( 161) = ( 0.2122752 -0.0000000 -0.2122752), wk = 0.0037736 k( 162) = ( 0.2207663 0.0000000 -0.2207663), wk = 0.0037736 k( 163) = ( 0.2292573 0.0000000 -0.2292573), wk = 0.0037736 k( 164) = ( 0.2377483 -0.0000000 -0.2377483), wk = 0.0037736 k( 165) = ( 0.2462393 -0.0000000 -0.2462393), wk = 0.0037736 k( 166) = ( 0.2547303 0.0000000 -0.2547303), wk = 0.0037736 k( 167) = ( 0.2632213 0.0000000 -0.2632213), wk = 0.0037736 k( 168) = ( 0.2717123 0.0000000 -0.2717123), wk = 0.0037736 k( 169) = ( 0.2802033 0.0000000 -0.2802033), wk = 0.0037736 k( 170) = ( 0.2886943 0.0000000 -0.2886943), wk = 0.0037736 k( 171) = ( 0.2971853 0.0000000 -0.2971853), wk = 0.0037736 k( 172) = ( 0.3056763 0.0000000 -0.3056764), wk = 0.0037736 k( 173) = ( 0.3141674 0.0000000 -0.3141674), wk = 0.0037736 k( 174) = ( 0.3226584 0.0000000 -0.3226584), wk = 0.0037736 k( 175) = ( 0.3311494 0.0000000 -0.3311494), wk = 0.0037736 k( 176) = ( 0.3396404 0.0000000 -0.3396404), wk = 0.0037736 k( 177) = ( 0.3481314 -0.0000000 -0.3481314), wk = 0.0037736 k( 178) = ( 0.3566224 0.0000000 -0.3566224), wk = 0.0037736 k( 179) = ( 0.3651134 0.0000000 -0.3651134), wk = 0.0037736 k( 180) = ( 0.3736044 -0.0000000 -0.3736044), wk = 0.0037736 k( 181) = ( 0.6263956 0.3736044 0.0000000), wk = 0.0037736 k( 182) = ( 0.6179692 0.3820308 -0.0000000), wk = 0.0037736 k( 183) = ( 0.6095428 0.3904572 0.0000000), wk = 0.0037736 k( 184) = ( 0.6011165 0.3988835 0.0000000), wk = 0.0037736 k( 185) = ( 0.5926901 0.4073099 0.0000000), wk = 0.0037736 k( 186) = ( 0.5842637 0.4157363 -0.0000000), wk = 0.0037736 k( 187) = ( 0.5758373 0.4241627 -0.0000000), wk = 0.0037736 k( 188) = ( 0.5674110 0.4325890 0.0000000), wk = 0.0037736 k( 189) = ( 0.5589846 0.4410154 0.0000000), wk = 0.0037736 k( 190) = ( 0.5505582 0.4494418 0.0000000), wk = 0.0037736 k( 191) = ( 0.5421319 0.4578681 0.0000000), wk = 0.0037736 k( 192) = ( 0.5337055 0.4662945 0.0000000), wk = 0.0037736 k( 193) = ( 0.5252791 0.4747209 0.0000000), wk = 0.0037736 k( 194) = ( 0.5168527 0.4831473 0.0000000), wk = 0.0037736 k( 195) = ( 0.5084264 0.4915736 0.0000000), wk = 0.0037736 k( 196) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0037736 k( 197) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0037736 k( 198) = ( 0.5084264 0.5084264 0.0164806), wk = 0.0037736 k( 199) = ( 0.5168527 0.5168527 0.0329612), wk = 0.0037736 k( 200) = ( 0.5252791 0.5252791 0.0494418), wk = 0.0037736 k( 201) = ( 0.5337055 0.5337055 0.0659224), wk = 0.0037736 k( 202) = ( 0.5421319 0.5421319 0.0824030), wk = 0.0037736 k( 203) = ( 0.5505582 0.5505582 0.0988835), wk = 0.0037736 k( 204) = ( 0.5589846 0.5589846 0.1153641), wk = 0.0037736 k( 205) = ( 0.5674110 0.5674110 0.1318447), wk = 0.0037736 k( 206) = ( 0.5758373 0.5758373 0.1483253), wk = 0.0037736 k( 207) = ( 0.5842637 0.5842637 0.1648059), wk = 0.0037736 k( 208) = ( 0.5926901 0.5926901 0.1812865), wk = 0.0037736 k( 209) = ( 0.6011165 0.6011164 0.1977671), wk = 0.0037736 k( 210) = ( 0.6095428 0.6095428 0.2142477), wk = 0.0037736 k( 211) = ( 0.6179692 0.6179692 0.2307283), wk = 0.0037736 k( 212) = ( 0.6263956 0.6263956 0.2472089), wk = 0.0037736 k( 213) = ( 0.6263956 0.6263956 0.2472089), wk = 0.0037736 k( 214) = ( 0.6215342 0.6215342 0.2569316), wk = 0.0037736 k( 215) = ( 0.6166728 0.6166728 0.2666543), wk = 0.0037736 k( 216) = ( 0.6118115 0.6118115 0.2763771), wk = 0.0037736 k( 217) = ( 0.6069501 0.6069501 0.2860998), wk = 0.0037736 k( 218) = ( 0.6020887 0.6020887 0.2958226), wk = 0.0037736 k( 219) = ( 0.5972274 0.5972274 0.3055453), wk = 0.0037736 k( 220) = ( 0.5923660 0.5923660 0.3152680), wk = 0.0037736 k( 221) = ( 0.5875046 0.5875046 0.3249907), wk = 0.0037736 k( 222) = ( 0.5826433 0.5826433 0.3347135), wk = 0.0037736 k( 223) = ( 0.5777819 0.5777819 0.3444362), wk = 0.0037736 k( 224) = ( 0.5729205 0.5729205 0.3541590), wk = 0.0037736 k( 225) = ( 0.5680591 0.5680591 0.3638817), wk = 0.0037736 k( 226) = ( 0.5631978 0.5631978 0.3736044), wk = 0.0037736 k( 227) = ( 0.5583364 0.5583364 0.3833272), wk = 0.0037736 k( 228) = ( 0.5534750 0.5534750 0.3930499), wk = 0.0037736 k( 229) = ( 0.5486137 0.5486137 0.4027726), wk = 0.0037736 k( 230) = ( 0.5437523 0.5437523 0.4124954), wk = 0.0037736 k( 231) = ( 0.5388909 0.5388909 0.4222181), wk = 0.0037736 k( 232) = ( 0.5340296 0.5340296 0.4319408), wk = 0.0037736 k( 233) = ( 0.5291682 0.5291682 0.4416636), wk = 0.0037736 k( 234) = ( 0.5243068 0.5243068 0.4513863), wk = 0.0037736 k( 235) = ( 0.5194455 0.5194455 0.4611091), wk = 0.0037736 k( 236) = ( 0.5145841 0.5145841 0.4708318), wk = 0.0037736 k( 237) = ( 0.5097227 0.5097227 0.4805545), wk = 0.0037736 k( 238) = ( 0.5048614 0.5048614 0.4902773), wk = 0.0037736 k( 239) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037736 k( 240) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0037736 k( 241) = ( 0.5101117 0.0149442 0.0149442), wk = 0.0037736 k( 242) = ( 0.5202233 0.0298884 0.0298884), wk = 0.0037736 k( 243) = ( 0.5303349 0.0448325 0.0448325), wk = 0.0037736 k( 244) = ( 0.5404466 0.0597767 0.0597767), wk = 0.0037736 k( 245) = ( 0.5505582 0.0747209 0.0747209), wk = 0.0037736 k( 246) = ( 0.5606699 0.0896651 0.0896651), wk = 0.0037736 k( 247) = ( 0.5707815 0.1046092 0.1046092), wk = 0.0037736 k( 248) = ( 0.5808932 0.1195534 0.1195534), wk = 0.0037736 k( 249) = ( 0.5910048 0.1344976 0.1344976), wk = 0.0037736 k( 250) = ( 0.6011165 0.1494418 0.1494418), wk = 0.0037736 k( 251) = ( 0.6112281 0.1643859 0.1643860), wk = 0.0037736 k( 252) = ( 0.6213397 0.1793301 0.1793301), wk = 0.0037736 k( 253) = ( 0.6314514 0.1942743 0.1942743), wk = 0.0037736 k( 254) = ( 0.6415630 0.2092185 0.2092185), wk = 0.0037736 k( 255) = ( 0.6516747 0.2241627 0.2241627), wk = 0.0037736 k( 256) = ( 0.6617863 0.2391068 0.2391068), wk = 0.0037736 k( 257) = ( 0.6718980 0.2540510 0.2540510), wk = 0.0037736 k( 258) = ( 0.6820096 0.2689952 0.2689952), wk = 0.0037736 k( 259) = ( 0.6921213 0.2839394 0.2839394), wk = 0.0037736 k( 260) = ( 0.7022329 0.2988835 0.2988836), wk = 0.0037736 k( 261) = ( 0.7123445 0.3138277 0.3138277), wk = 0.0037736 k( 262) = ( 0.7224562 0.3287719 0.3287719), wk = 0.0037736 k( 263) = ( 0.7325678 0.3437161 0.3437161), wk = 0.0037736 k( 264) = ( 0.7426795 0.3586603 0.3586603), wk = 0.0037736 k( 265) = ( 0.7527911 0.3736044 0.3736044), wk = 0.0037736 Dense grid: 74281 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 32845 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.17 Mb ( 184, 62) NL pseudopotentials 0.26 Mb ( 92, 184) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1547) G-vector shells 0.01 Mb ( 1263) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.70 Mb ( 184, 248) Each subspace H/S matrix 0.94 Mb ( 248, 248) Each matrix 0.35 Mb ( 184, 2, 62) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./AlBiO3.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 43.1 secs Computing kpt #: 2 total cpu time spent up to now is 46.9 secs Computing kpt #: 3 total cpu time spent up to now is 50.5 secs Computing kpt #: 4 total cpu time spent up to now is 54.0 secs Computing kpt #: 5 total cpu time spent up to now is 57.4 secs Computing kpt #: 6 total cpu time spent up to now is 60.7 secs Computing kpt #: 7 total cpu time spent up to now is 63.9 secs Computing kpt #: 8 total cpu time spent up to now is 67.1 secs Computing kpt #: 9 total cpu time spent up to now is 70.4 secs Computing kpt #: 10 total cpu time spent up to now is 73.9 secs Computing kpt #: 11 total cpu time spent up to now is 77.3 secs Computing kpt #: 12 total cpu time spent up to now is 80.7 secs Computing kpt #: 13 total cpu time spent up to now is 84.1 secs Computing kpt #: 14 total cpu time spent up to now is 87.8 secs Computing kpt #: 15 total cpu time spent up to now is 91.2 secs Computing kpt #: 16 total cpu time spent up to now is 94.9 secs Computing kpt #: 17 total cpu time spent up to now is 98.5 secs Computing kpt #: 18 total cpu time spent up to now is 102.0 secs Computing kpt #: 19 total cpu time spent up to now is 105.5 secs Computing kpt #: 20 total cpu time spent up to now is 108.9 secs Computing kpt #: 21 total cpu time spent up to now is 112.4 secs Computing kpt #: 22 total cpu time spent up to now is 115.8 secs Computing kpt #: 23 total cpu time spent up to now is 119.3 secs Computing kpt #: 24 total cpu time spent up to now is 122.7 secs Computing kpt #: 25 total cpu time spent up to now is 126.4 secs Computing kpt #: 26 total cpu time spent up to now is 129.9 secs Computing kpt #: 27 total cpu time spent up to now is 133.5 secs Computing kpt #: 28 total cpu time spent up to now is 136.9 secs Computing kpt #: 29 total cpu time spent up to now is 140.3 secs Computing kpt #: 30 total cpu time spent up to now is 143.6 secs Computing kpt #: 31 total cpu time spent up to now is 146.9 secs Computing kpt #: 32 total cpu time spent up to now is 150.2 secs Computing kpt #: 33 total cpu time spent up to now is 153.5 secs Computing kpt #: 34 total cpu time spent up to now is 156.8 secs Computing kpt #: 35 total cpu time spent up to now is 160.2 secs Computing kpt #: 36 total cpu time spent up to now is 163.5 secs Computing kpt #: 37 total cpu time spent up to now is 166.9 secs Computing kpt #: 38 total cpu time spent up to now is 170.4 secs Computing kpt #: 39 total cpu time spent up to now is 173.7 secs Computing kpt #: 40 total cpu time spent up to now is 176.8 secs Computing kpt #: 41 total cpu time spent up to now is 179.9 secs Computing kpt #: 42 total cpu time spent up to now is 183.1 secs Computing kpt #: 43 total cpu time spent up to now is 186.2 secs Computing kpt #: 44 total cpu time spent up to now is 189.2 secs Computing kpt #: 45 total cpu time spent up to now is 192.3 secs Computing kpt #: 46 total cpu time spent up to now is 195.7 secs Computing kpt #: 47 total cpu time spent up to now is 198.8 secs Computing kpt #: 48 total cpu time spent up to now is 201.9 secs Computing kpt #: 49 total cpu time spent up to now is 204.8 secs Computing kpt #: 50 total cpu time spent up to now is 207.9 secs Computing kpt #: 51 total cpu time spent up to now is 211.1 secs Computing kpt #: 52 total cpu time spent up to now is 214.0 secs Computing kpt #: 53 total cpu time spent up to now is 217.2 secs Computing kpt #: 54 total cpu time spent up to now is 220.7 secs Computing kpt #: 55 total cpu time spent up to now is 224.0 secs Computing kpt #: 56 total cpu time spent up to now is 227.1 secs Computing kpt #: 57 total cpu time spent up to now is 230.1 secs Computing kpt #: 58 total cpu time spent up to now is 233.0 secs Computing kpt #: 59 total cpu time spent up to now is 236.1 secs Computing kpt #: 60 total cpu time spent up to now is 239.2 secs Computing kpt #: 61 total cpu time spent up to now is 242.3 secs Computing kpt #: 62 total cpu time spent up to now is 245.4 secs Computing kpt #: 63 total cpu time spent up to now is 248.5 secs Computing kpt #: 64 total cpu time spent up to now is 251.7 secs Computing kpt #: 65 total cpu time spent up to now is 254.6 secs Computing kpt #: 66 total cpu time spent up to now is 257.7 secs Computing kpt #: 67 total cpu time spent up to now is 260.7 secs Computing kpt #: 68 total cpu time spent up to now is 263.6 secs Computing kpt #: 69 total cpu time spent up to now is 266.6 secs Computing kpt #: 70 total cpu time spent up to now is 269.5 secs Computing kpt #: 71 total cpu time spent up to now is 272.6 secs Computing kpt #: 72 total cpu time spent up to now is 275.6 secs Computing kpt #: 73 total cpu time spent up to now is 278.6 secs Computing kpt #: 74 total cpu time spent up to now is 281.6 secs Computing kpt #: 75 total cpu time spent up to now is 284.6 secs Computing kpt #: 76 total cpu time spent up to now is 287.6 secs Computing kpt #: 77 total cpu time spent up to now is 290.5 secs Computing kpt #: 78 total cpu time spent up to now is 293.3 secs Computing kpt #: 79 total cpu time spent up to now is 296.5 secs Computing kpt #: 80 total cpu time spent up to now is 299.5 secs Computing kpt #: 81 total cpu time spent up to now is 302.6 secs Computing kpt #: 82 total cpu time spent up to now is 305.5 secs Computing kpt #: 83 total cpu time spent up to now is 308.5 secs Computing kpt #: 84 total cpu time spent up to now is 311.6 secs Computing kpt #: 85 total cpu time spent up to now is 314.6 secs Computing kpt #: 86 total cpu time spent up to now is 317.6 secs Computing kpt #: 87 total cpu time spent up to now is 320.8 secs Computing kpt #: 88 total cpu time spent up to now is 324.0 secs Computing kpt #: 89 total cpu time spent up to now is 327.0 secs Computing kpt #: 90 total cpu time spent up to now is 330.2 secs Computing kpt #: 91 total cpu time spent up to now is 333.3 secs Computing kpt #: 92 total cpu time spent up to now is 336.5 secs Computing kpt #: 93 total cpu time spent up to now is 339.9 secs Computing kpt #: 94 total cpu time spent up to now is 343.2 secs Computing kpt #: 95 total cpu time spent up to now is 346.5 secs Computing kpt #: 96 total cpu time spent up to now is 350.0 secs Computing kpt #: 97 total cpu time spent up to now is 353.3 secs Computing kpt #: 98 total cpu time spent up to now is 356.5 secs Computing kpt #: 99 total cpu time spent up to now is 359.7 secs Computing kpt #: 100 total cpu time spent up to now is 363.0 secs Computing kpt #: 101 total cpu time spent up to now is 366.3 secs Computing kpt #: 102 total cpu time spent up to now is 369.5 secs Computing kpt #: 103 total cpu time spent up to now is 372.6 secs Computing kpt #: 104 total cpu time spent up to now is 375.7 secs Computing kpt #: 105 total cpu time spent up to now is 378.8 secs Computing kpt #: 106 total cpu time spent up to now is 381.7 secs Computing kpt #: 107 total cpu time spent up to now is 384.6 secs Computing kpt #: 108 total cpu time spent up to now is 387.6 secs Computing kpt #: 109 total cpu time spent up to now is 390.5 secs Computing kpt #: 110 total cpu time spent up to now is 393.5 secs Computing kpt #: 111 total cpu time spent up to now is 396.5 secs Computing kpt #: 112 total cpu time spent up to now is 399.4 secs Computing kpt #: 113 total cpu time spent up to now is 402.3 secs Computing kpt #: 114 total cpu time spent up to now is 405.3 secs Computing kpt #: 115 total cpu time spent up to now is 408.3 secs Computing kpt #: 116 total cpu time spent up to now is 411.2 secs Computing kpt #: 117 total cpu time spent up to now is 414.2 secs Computing kpt #: 118 total cpu time spent up to now is 417.3 secs Computing kpt #: 119 total cpu time spent up to now is 420.3 secs Computing kpt #: 120 total cpu time spent up to now is 423.3 secs Computing kpt #: 121 total cpu time spent up to now is 426.6 secs Computing kpt #: 122 total cpu time spent up to now is 429.8 secs Computing kpt #: 123 total cpu time spent up to now is 433.1 secs Computing kpt #: 124 total cpu time spent up to now is 436.4 secs Computing kpt #: 125 total cpu time spent up to now is 439.7 secs Computing kpt #: 126 total cpu time spent up to now is 443.0 secs Computing kpt #: 127 total cpu time spent up to now is 446.2 secs Computing kpt #: 128 total cpu time spent up to now is 449.5 secs Computing kpt #: 129 total cpu time spent up to now is 452.9 secs Computing kpt #: 130 total cpu time spent up to now is 456.4 secs Computing kpt #: 131 total cpu time spent up to now is 459.9 secs Computing kpt #: 132 total cpu time spent up to now is 463.5 secs Computing kpt #: 133 total cpu time spent up to now is 467.0 secs Computing kpt #: 134 total cpu time spent up to now is 470.5 secs Computing kpt #: 135 total cpu time spent up to now is 473.8 secs Computing kpt #: 136 total cpu time spent up to now is 477.1 secs Computing kpt #: 137 total cpu time spent up to now is 480.7 secs Computing kpt #: 138 total cpu time spent up to now is 484.2 secs Computing kpt #: 139 total cpu time spent up to now is 487.6 secs Computing kpt #: 140 total cpu time spent up to now is 491.0 secs Computing kpt #: 141 total cpu time spent up to now is 494.5 secs Computing kpt #: 142 total cpu time spent up to now is 497.6 secs Computing kpt #: 143 total cpu time spent up to now is 501.0 secs Computing kpt #: 144 total cpu time spent up to now is 504.3 secs Computing kpt #: 145 total cpu time spent up to now is 507.6 secs Computing kpt #: 146 total cpu time spent up to now is 510.9 secs Computing kpt #: 147 total cpu time spent up to now is 514.2 secs Computing kpt #: 148 total cpu time spent up to now is 518.2 secs Computing kpt #: 149 total cpu time spent up to now is 522.0 secs Computing kpt #: 150 total cpu time spent up to now is 525.5 secs Computing kpt #: 151 total cpu time spent up to now is 528.9 secs Computing kpt #: 152 total cpu time spent up to now is 532.4 secs Computing kpt #: 153 total cpu time spent up to now is 536.0 secs Computing kpt #: 154 total cpu time spent up to now is 539.4 secs Computing kpt #: 155 total cpu time spent up to now is 542.7 secs Computing kpt #: 156 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 548.3 secs Computing kpt #: 157 total cpu time spent up to now is 551.9 secs Computing kpt #: 158 total cpu time spent up to now is 555.2 secs Computing kpt #: 159 total cpu time spent up to now is 558.5 secs Computing kpt #: 160 total cpu time spent up to now is 561.9 secs Computing kpt #: 161 total cpu time spent up to now is 565.2 secs Computing kpt #: 162 total cpu time spent up to now is 568.6 secs Computing kpt #: 163 total cpu time spent up to now is 572.1 secs Computing kpt #: 164 total cpu time spent up to now is 575.4 secs Computing kpt #: 165 total cpu time spent up to now is 578.6 secs Computing kpt #: 166 total cpu time spent up to now is 581.7 secs Computing kpt #: 167 total cpu time spent up to now is 584.8 secs Computing kpt #: 168 total cpu time spent up to now is 587.8 secs Computing kpt #: 169 total cpu time spent up to now is 590.8 secs Computing kpt #: 170 total cpu time spent up to now is 593.9 secs Computing kpt #: 171 total cpu time spent up to now is 596.9 secs Computing kpt #: 172 total cpu time spent up to now is 599.9 secs Computing kpt #: 173 total cpu time spent up to now is 602.7 secs Computing kpt #: 174 total cpu time spent up to now is 605.5 secs Computing kpt #: 175 total cpu time spent up to now is 608.3 secs Computing kpt #: 176 total cpu time spent up to now is 611.1 secs Computing kpt #: 177 total cpu time spent up to now is 613.9 secs Computing kpt #: 178 total cpu time spent up to now is 616.6 secs Computing kpt #: 179 total cpu time spent up to now is 619.4 secs Computing kpt #: 180 total cpu time spent up to now is 622.3 secs Computing kpt #: 181 total cpu time spent up to now is 625.0 secs Computing kpt #: 182 total cpu time spent up to now is 627.8 secs Computing kpt #: 183 total cpu time spent up to now is 630.4 secs Computing kpt #: 184 total cpu time spent up to now is 633.2 secs Computing kpt #: 185 total cpu time spent up to now is 635.9 secs Computing kpt #: 186 total cpu time spent up to now is 638.7 secs Computing kpt #: 187 total cpu time spent up to now is 641.3 secs Computing kpt #: 188 total cpu time spent up to now is 644.0 secs Computing kpt #: 189 total cpu time spent up to now is 646.5 secs Computing kpt #: 190 total cpu time spent up to now is 649.2 secs Computing kpt #: 191 total cpu time spent up to now is 651.9 secs Computing kpt #: 192 total cpu time spent up to now is 654.5 secs Computing kpt #: 193 total cpu time spent up to now is 657.1 secs Computing kpt #: 194 total cpu time spent up to now is 659.8 secs Computing kpt #: 195 total cpu time spent up to now is 662.1 secs Computing kpt #: 196 total cpu time spent up to now is 664.8 secs Computing kpt #: 197 total cpu time spent up to now is 667.6 secs Computing kpt #: 198 total cpu time spent up to now is 669.9 secs Computing kpt #: 199 total cpu time spent up to now is 672.6 secs Computing kpt #: 200 total cpu time spent up to now is 675.6 secs Computing kpt #: 201 total cpu time spent up to now is 678.1 secs Computing kpt #: 202 total cpu time spent up to now is 680.5 secs Computing kpt #: 203 total cpu time spent up to now is 683.2 secs Computing kpt #: 204 total cpu time spent up to now is 685.9 secs Computing kpt #: 205 total cpu time spent up to now is 688.5 secs Computing kpt #: 206 total cpu time spent up to now is 691.2 secs Computing kpt #: 207 total cpu time spent up to now is 693.9 secs Computing kpt #: 208 total cpu time spent up to now is 696.6 secs Computing kpt #: 209 total cpu time spent up to now is 699.4 secs Computing kpt #: 210 total cpu time spent up to now is 702.1 secs Computing kpt #: 211 total cpu time spent up to now is 704.9 secs Computing kpt #: 212 total cpu time spent up to now is 707.6 secs Computing kpt #: 213 total cpu time spent up to now is 710.4 secs Computing kpt #: 214 total cpu time spent up to now is 713.2 secs Computing kpt #: 215 total cpu time spent up to now is 715.9 secs Computing kpt #: 216 total cpu time spent up to now is 718.7 secs Computing kpt #: 217 total cpu time spent up to now is 721.5 secs Computing kpt #: 218 total cpu time spent up to now is 724.3 secs Computing kpt #: 219 total cpu time spent up to now is 727.1 secs Computing kpt #: 220 total cpu time spent up to now is 729.9 secs Computing kpt #: 221 total cpu time spent up to now is 732.8 secs Computing kpt #: 222 total cpu time spent up to now is 735.6 secs Computing kpt #: 223 total cpu time spent up to now is 738.5 secs Computing kpt #: 224 total cpu time spent up to now is 741.4 secs Computing kpt #: 225 total cpu time spent up to now is 744.3 secs Computing kpt #: 226 total cpu time spent up to now is 747.2 secs Computing kpt #: 227 total cpu time spent up to now is 750.2 secs Computing kpt #: 228 total cpu time spent up to now is 753.4 secs Computing kpt #: 229 total cpu time spent up to now is 756.4 secs Computing kpt #: 230 total cpu time spent up to now is 759.7 secs Computing kpt #: 231 total cpu time spent up to now is 762.8 secs Computing kpt #: 232 total cpu time spent up to now is 766.1 secs Computing kpt #: 233 total cpu time spent up to now is 769.3 secs Computing kpt #: 234 total cpu time spent up to now is 772.5 secs Computing kpt #: 235 total cpu time spent up to now is 775.9 secs Computing kpt #: 236 total cpu time spent up to now is 779.2 secs Computing kpt #: 237 total cpu time spent up to now is 782.5 secs Computing kpt #: 238 total cpu time spent up to now is 785.8 secs Computing kpt #: 239 total cpu time spent up to now is 788.9 secs Computing kpt #: 240 total cpu time spent up to now is 792.2 secs Computing kpt #: 241 total cpu time spent up to now is 795.6 secs Computing kpt #: 242 total cpu time spent up to now is 798.8 secs Computing kpt #: 243 total cpu time spent up to now is 801.9 secs Computing kpt #: 244 total cpu time spent up to now is 805.0 secs Computing kpt #: 245 total cpu time spent up to now is 808.2 secs Computing kpt #: 246 total cpu time spent up to now is 811.5 secs Computing kpt #: 247 total cpu time spent up to now is 814.7 secs Computing kpt #: 248 total cpu time spent up to now is 818.4 secs Computing kpt #: 249 total cpu time spent up to now is 821.6 secs Computing kpt #: 250 total cpu time spent up to now is 824.7 secs Computing kpt #: 251 total cpu time spent up to now is 827.7 secs Computing kpt #: 252 total cpu time spent up to now is 830.9 secs Computing kpt #: 253 total cpu time spent up to now is 833.8 secs Computing kpt #: 254 total cpu time spent up to now is 837.0 secs Computing kpt #: 255 total cpu time spent up to now is 840.2 secs Computing kpt #: 256 total cpu time spent up to now is 843.2 secs Computing kpt #: 257 total cpu time spent up to now is 846.2 secs Computing kpt #: 258 total cpu time spent up to now is 849.1 secs Computing kpt #: 259 total cpu time spent up to now is 852.0 secs Computing kpt #: 260 total cpu time spent up to now is 854.9 secs Computing kpt #: 261 total cpu time spent up to now is 857.8 secs Computing kpt #: 262 total cpu time spent up to now is 860.8 secs Computing kpt #: 263 total cpu time spent up to now is 863.5 secs Computing kpt #: 264 total cpu time spent up to now is 866.4 secs Computing kpt #: 265 total cpu time spent up to now is 869.1 secs ethr = 1.92E-11, avg # of iterations = 42.2 total cpu time spent up to now is 869.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4093 PWs) bands (ev): -11.2165 -11.2165 -9.2153 -9.2153 -8.9640 -8.9640 -8.9563 -8.9563 -8.3937 -8.3937 -8.3781 -8.3781 -1.3011 -1.3011 -0.1604 -0.1604 0.4386 0.4386 2.0848 2.0848 2.4907 2.4907 2.5273 2.5273 2.7653 2.7653 2.7905 2.7905 3.7327 3.7327 6.2139 6.2139 6.2435 6.2435 6.2472 6.2472 6.3799 6.3799 6.6351 6.6351 6.8675 6.8675 6.9152 6.9152 6.9250 6.9250 7.6579 7.6579 7.6789 7.6789 7.9451 7.9451 12.4715 12.4715 13.2374 13.2374 14.6285 14.6285 14.7564 14.7564 15.3068 15.3068 k = 0.0139-0.0083-0.0058 ( 4095 PWs) bands (ev): -11.2160 -11.2153 -9.2168 -9.2145 -8.9650 -8.9636 -8.9566 -8.9564 -8.3947 -8.3937 -8.3786 -8.3785 -1.3022 -1.3011 -0.1626 -0.1618 0.4400 0.4403 2.0721 2.0999 2.4905 2.4915 2.5031 2.5531 2.7311 2.7748 2.7997 2.8143 3.7190 3.7558 6.2072 6.2169 6.2421 6.2422 6.2455 6.2467 6.3788 6.3788 6.6244 6.6428 6.8567 6.8770 6.9136 6.9142 6.9257 6.9260 7.6558 7.6580 7.6778 7.6780 7.9445 7.9449 12.4656 12.4743 13.2219 13.2488 14.6267 14.6308 14.7555 14.7562 15.2737 15.2944 k = 0.0278-0.0165-0.0116 ( 4100 PWs) bands (ev): -11.2139 -11.2124 -9.2192 -9.2146 -8.9667 -8.9637 -8.9572 -8.9566 -8.3964 -8.3944 -8.3800 -8.3797 -1.3044 -1.3021 -0.1684 -0.1670 0.4446 0.4452 2.0619 2.1171 2.4739 2.4942 2.4983 2.5777 2.6976 2.7728 2.8178 2.8566 3.7152 3.7879 6.1965 6.2163 6.2380 6.2382 6.2417 6.2440 6.3751 6.3757 6.6114 6.6472 6.8457 6.8843 6.9102 6.9107 6.9274 6.9287 7.6516 7.6563 7.6749 7.6755 7.9431 7.9439 12.4568 12.4739 13.2025 13.2560 14.6252 14.6323 14.7538 14.7558 15.2342 15.2779 k = 0.0417-0.0248-0.0174 ( 4098 PWs) bands (ev): -11.2101 -11.2079 -9.2225 -9.2156 -8.9697 -8.9649 -8.9574 -8.9563 -8.3990 -8.3960 -8.3822 -8.3817 -1.3074 -1.3042 -0.1778 -0.1757 0.4523 0.4532 2.0542 2.1363 2.4512 2.4986 2.5038 2.6002 2.6685 2.7730 2.8429 2.9022 3.7213 3.8286 6.1814 6.2120 6.2311 6.2313 6.2359 6.2394 6.3688 6.3710 6.5961 6.6477 6.8352 6.8874 6.9053 6.9068 6.9297 6.9330 7.6454 7.6527 7.6702 7.6714 7.9409 7.9421 12.4451 12.4701 13.1793 13.2589 14.6224 14.6301 14.7533 14.7582 15.1902 15.2579 k = 0.0556-0.0331-0.0232 ( 4099 PWs) bands (ev): -11.2047 -11.2017 -9.2269 -9.2176 -8.9739 -8.9675 -8.9569 -8.9556 -8.4024 -8.3985 -8.3852 -8.3846 -1.3114 -1.3072 -0.1907 -0.1881 0.4632 0.4643 2.0492 2.1573 2.4308 2.5042 2.5119 2.6180 2.6469 2.7756 2.8745 2.9499 3.7376 3.8771 6.1618 6.2040 6.2211 6.2218 6.2282 6.2328 6.3598 6.3650 6.5789 6.6435 6.8264 6.8842 6.8981 6.9062 6.9327 6.9387 7.6368 7.6470 7.6638 7.6659 7.9377 7.9395 12.4308 12.4629 13.1524 13.2573 14.6157 14.6206 14.7568 14.7670 15.1423 15.2341 k = 0.0694-0.0413-0.0291 ( 4098 PWs) bands (ev): -11.1976 -11.1939 -9.2325 -9.2207 -8.9791 -8.9711 -8.9557 -8.9543 -8.4067 -8.4017 -8.3891 -8.3882 -1.3161 -1.3111 -0.2069 -0.2038 0.4771 0.4784 2.0471 2.1798 2.4140 2.5099 2.5223 2.6170 2.6492 2.7805 2.9118 2.9990 3.7638 3.9331 6.1373 6.1920 6.2082 6.2095 6.2183 6.2242 6.3481 6.3580 6.5599 6.6342 6.8197 6.8757 6.8896 6.9080 6.9362 6.9453 7.6260 7.6391 7.6562 7.6593 7.9337 7.9362 12.4139 12.4520 13.1219 13.2509 14.6020 14.6028 14.7665 14.7842 15.0911 15.2066 k = 0.0833-0.0496-0.0349 ( 4098 PWs) bands (ev): -11.1889 -11.1844 -9.2396 -9.2252 -8.9850 -8.9755 -8.9539 -8.9526 -8.4118 -8.4057 -8.3937 -8.3926 -1.3216 -1.3159 -0.2263 -0.2229 0.4941 0.4956 2.0478 2.2032 2.4016 2.5138 2.5348 2.6084 2.6668 2.7875 2.9537 3.0491 3.7996 3.9959 6.1080 6.1761 6.1922 6.1943 6.2062 6.2135 6.3339 6.3499 6.5395 6.6198 6.8154 6.8647 6.8804 6.9107 6.9402 6.9524 7.6128 7.6286 7.6475 7.6514 7.9288 7.9321 12.3947 12.4373 13.0878 13.2396 14.5749 14.5831 14.7831 14.8095 15.0378 15.1755 k = 0.0972-0.0578-0.0407 ( 4099 PWs) bands (ev): -11.1785 -11.1733 -9.2483 -9.2314 -8.9912 -8.9801 -8.9518 -8.9504 -8.4177 -8.4106 -8.3992 -8.3978 -1.3277 -1.3213 -0.2486 -0.2451 0.5140 0.5158 2.0515 2.2268 2.3946 2.5141 2.5493 2.6079 2.6867 2.7969 2.9988 3.0995 3.8445 4.0649 6.0741 6.1563 6.1730 6.1761 6.1919 6.2004 6.3175 6.3408 6.5179 6.6010 6.8127 6.8524 6.8715 6.9137 6.9447 6.9597 7.5973 7.6157 7.6380 7.6425 7.9229 7.9272 12.3731 12.4189 13.0502 13.2232 14.5410 14.5572 14.8048 14.8416 14.9841 15.1408 k = 0.1111-0.0661-0.0465 ( 4099 PWs) bands (ev): -11.1665 -11.1606 -9.2589 -9.2395 -8.9974 -8.9846 -8.9492 -8.9479 -8.4244 -8.4162 -8.4054 -8.4036 -1.3342 -1.3275 -0.2737 -0.2701 0.5370 0.5389 2.0583 2.2493 2.3942 2.5111 2.5657 2.6167 2.7080 2.8086 3.0461 3.1498 3.8980 4.1398 6.0358 6.1326 6.1507 6.1544 6.1753 6.1849 6.2989 6.3304 6.4954 6.5787 6.8105 6.8398 6.8642 6.9172 6.9497 6.9671 7.5798 7.6003 7.6276 7.6324 7.9162 7.9215 12.3493 12.3965 13.0091 13.2014 14.5017 14.5260 14.8262 14.8793 14.9354 15.1029 k = 0.1250-0.0744-0.0523 ( 4099 PWs) bands (ev): -11.1529 -11.1462 -9.2717 -9.2499 -9.0032 -8.9889 -8.9463 -8.9449 -8.4319 -8.4226 -8.4123 -8.4102 -1.3411 -1.3341 -0.3014 -0.2979 0.5628 0.5648 2.0682 2.2693 2.4018 2.5068 2.5840 2.6328 2.7311 2.8229 3.0945 3.1994 3.9595 4.2198 5.9934 6.1052 6.1250 6.1289 6.1565 6.1669 6.2783 6.3183 6.4723 6.5538 6.8074 6.8274 6.8598 6.9211 6.9552 6.9746 7.5603 7.5829 7.6162 7.6213 7.9086 7.9151 12.3235 12.3701 12.9645 13.1742 14.4583 14.4905 14.8240 14.9144 14.9210 15.0624 k = 0.1389-0.0826-0.0581 ( 4099 PWs) bands (ev): -11.1377 -11.1303 -9.2868 -9.2629 -9.0082 -8.9925 -8.9430 -8.9416 -8.4401 -8.4297 -8.4198 -8.4174 -1.3482 -1.3410 -0.3313 -0.3280 0.5915 0.5936 2.0814 2.2860 2.4182 2.5031 2.6042 2.6542 2.7561 2.8399 3.1433 3.2476 4.0283 4.3046 5.9473 6.0742 6.0959 6.0993 6.1354 6.1467 6.2562 6.3043 6.4489 6.5273 6.8028 6.8158 6.8594 6.9255 6.9611 6.9823 7.5391 7.5635 7.6038 7.6092 7.9001 7.9080 12.2955 12.3397 12.9164 13.1412 14.4120 14.4514 14.7822 14.9368 14.9610 15.0248 k = 0.1528-0.0909-0.0639 ( 4099 PWs) bands (ev): -11.1210 -11.1128 -9.3044 -9.2785 -9.0121 -8.9952 -8.9394 -8.9379 -8.4491 -8.4377 -8.4280 -8.4253 -1.3553 -1.3481 -0.3634 -0.3603 0.6229 0.6252 2.0977 2.2998 2.4427 2.5012 2.6263 2.6794 2.7833 2.8597 3.1915 3.2940 4.1036 4.3937 5.8978 6.0396 6.0635 6.0654 6.1120 6.1242 6.2325 6.2881 6.4254 6.5002 6.7971 6.8058 6.8626 6.9305 6.9675 6.9900 7.5162 7.5425 7.5904 7.5960 7.8908 7.9001 12.2656 12.3052 12.8648 13.1023 14.3637 14.4094 14.7282 14.9548 14.9747 15.0336 k = 0.1667-0.0992-0.0697 ( 4094 PWs) bands (ev): -11.1026 -11.0937 -9.3246 -9.2970 -9.0149 -8.9970 -8.9353 -8.9339 -8.4587 -8.4464 -8.4367 -8.4337 -1.3623 -1.3553 -0.3973 -0.3946 0.6570 0.6595 2.1172 2.3120 2.4735 2.5014 2.6503 2.7079 2.8125 2.8825 3.2385 3.3379 4.1848 4.4863 5.8453 6.0015 6.0271 6.0277 6.0864 6.0996 6.2078 6.2694 6.4020 6.4734 6.7916 6.7976 6.8683 6.9360 6.9743 6.9980 7.4921 7.5201 7.5759 7.5818 7.8808 7.8916 12.2337 12.2667 12.8096 13.0576 14.3143 14.3650 14.6721 14.9091 15.0170 15.0811 k = 0.1806-0.1074-0.0755 ( 4094 PWs) bands (ev): -11.0828 -11.0731 -9.3473 -9.3184 -9.0162 -8.9977 -8.9310 -8.9295 -8.4691 -8.4559 -8.4459 -8.4427 -1.3692 -1.3623 -0.4327 -0.4304 0.6938 0.6964 2.1399 2.3241 2.5039 2.5091 2.6762 2.7389 2.8440 2.9080 3.2837 3.3790 4.2711 4.5821 5.7901 5.9601 5.9846 5.9886 6.0586 6.0731 6.1822 6.2481 6.3791 6.4477 6.7872 6.7917 6.8759 6.9421 6.9816 7.0063 7.4667 7.4964 7.5605 7.5666 7.8702 7.8826 12.1998 12.2240 12.7509 13.0068 14.2645 14.3190 14.6160 14.8573 15.0591 15.1320 k = 0.1944-0.1157-0.0813 ( 4094 PWs) bands (ev): -11.0614 -11.0509 -9.3724 -9.3426 -9.0163 -8.9973 -8.9262 -8.9247 -8.4800 -8.4661 -8.4556 -8.4522 -1.3756 -1.3691 -0.4695 -0.4677 0.7332 0.7359 2.1658 2.3368 2.5084 2.5479 2.7043 2.7721 2.8775 2.9363 3.3265 3.4167 4.3618 4.6802 5.7328 5.9154 5.9382 5.9464 6.0286 6.0444 6.1562 6.2242 6.3573 6.4238 6.7847 6.7882 6.8848 6.9487 6.9892 7.0147 7.4404 7.4717 7.5441 7.5505 7.8589 7.8730 12.1639 12.1774 12.6888 12.9501 14.2151 14.2719 14.5606 14.8028 15.0953 15.1773 k = 0.2083-0.1239-0.0872 ( 4099 PWs) bands (ev): -11.0385 -11.0273 -9.4000 -9.3695 -9.0150 -8.9957 -8.9211 -8.9196 -8.4916 -8.4770 -8.4656 -8.4622 -1.3817 -1.3756 -0.5074 -0.5061 0.7751 0.7778 2.1947 2.3506 2.5148 2.5891 2.7345 2.8073 2.9131 2.9673 3.3665 3.4508 4.4559 4.7798 5.6735 5.8675 5.8885 5.9015 5.9964 6.0135 6.1300 6.1982 6.3370 6.4025 6.7842 6.7871 6.8947 6.9558 6.9971 7.0233 7.4133 7.4463 7.5268 7.5335 7.8472 7.8629 12.1261 12.1269 12.6232 12.8877 14.1666 14.2246 14.5064 14.7467 15.1169 15.2046 k = 0.2222-0.1322-0.0930 ( 4103 PWs) bands (ev): -11.0141 -11.0022 -9.4299 -9.3988 -9.0125 -8.9931 -8.9157 -8.9141 -8.5037 -8.4886 -8.4761 -8.4726 -1.3871 -1.3814 -0.5461 -0.5453 0.8194 0.8223 2.2266 2.3655 2.5226 2.6321 2.7670 2.8439 2.9506 3.0005 3.4035 3.4810 4.5526 4.8799 5.6126 5.8165 5.8362 5.8542 5.9621 5.9803 6.1037 6.1703 6.3192 6.3845 6.7861 6.7884 6.9053 6.9634 7.0054 7.0322 7.3858 7.4202 7.5087 7.5156 7.8351 7.8525 12.0727 12.0862 12.5544 12.8198 14.1196 14.1776 14.4532 14.6894 15.1197 15.2054 k = 0.2361-0.1405-0.0988 ( 4105 PWs) bands (ev): -10.9883 -10.9756 -9.4618 -9.4305 -9.0088 -8.9895 -8.9099 -8.9082 -8.5163 -8.5007 -8.4869 -8.4835 -1.3918 -1.3866 -0.5855 -0.5851 0.8660 0.8690 2.2614 2.3811 2.5315 2.6762 2.8019 2.8816 2.9900 3.0359 3.4372 3.5072 4.6506 4.9789 5.5507 5.7623 5.7823 5.8052 5.9258 5.9446 6.0776 6.1415 6.3047 6.3703 6.7902 6.7921 6.9166 6.9715 7.0140 7.0411 7.3579 7.3937 7.4897 7.4970 7.8227 7.8416 12.0151 12.0445 12.4824 12.7468 14.0747 14.1315 14.4011 14.6315 15.1104 15.1902 k = 0.2500-0.1487-0.1046 ( 4103 PWs) bands (ev): -10.9610 -10.9476 -9.4957 -9.4642 -9.0042 -8.9849 -8.9037 -8.9020 -8.5294 -8.5134 -8.4980 -8.4947 -1.3956 -1.3910 -0.6253 -0.6253 0.9149 0.9181 2.2988 2.3972 2.5408 2.7211 2.8392 2.9201 3.0309 3.0731 3.4679 3.5297 4.7486 5.0745 5.4883 5.7048 5.7278 5.7554 5.8874 5.9064 6.0518 6.1127 6.2944 6.3604 6.7965 6.7979 6.9284 6.9799 7.0229 7.0501 7.3300 7.3671 7.4700 7.4776 7.8101 7.8305 11.9543 12.0008 12.4076 12.6692 14.0322 14.0869 14.3501 14.5735 15.0960 15.1691 k = 0.2639-0.1570-0.1104 ( 4105 PWs) bands (ev): -10.9324 -10.9183 -9.5314 -9.4998 -8.9985 -8.9794 -8.8972 -8.8955 -8.5429 -8.5266 -8.5094 -8.5063 -1.3985 -1.3945 -0.6658 -0.6654 0.9661 0.9693 2.3386 2.4132 2.5499 2.7664 2.8787 2.9588 3.0734 3.1119 3.4956 3.5489 4.8446 5.1626 5.4267 5.6444 5.6739 5.7067 5.8472 5.8659 6.0269 6.0857 6.2890 6.3553 6.8048 6.8056 6.9405 6.9888 7.0319 7.0590 7.3023 7.3406 7.4495 7.4575 7.7973 7.8190 11.8908 11.9552 12.3302 12.5876 13.9924 14.0441 14.3001 14.5158 15.0794 15.1459 k = 0.2778-0.1653-0.1162 ( 4103 PWs) bands (ev): -10.9024 -10.8875 -9.5688 -9.5372 -8.9921 -8.9731 -8.8903 -8.8886 -8.5567 -8.5401 -8.5212 -8.5181 -1.4004 -1.3969 -0.7062 -0.7055 1.0193 1.0227 2.3805 2.4284 2.5584 2.8117 2.9204 2.9973 3.1171 3.1518 3.5209 3.5652 4.9357 5.2340 5.3698 5.5818 5.6216 5.6618 5.8052 5.8233 6.0039 6.0630 6.2888 6.3550 6.8149 6.8150 6.9530 6.9980 7.0410 7.0678 7.2750 7.3144 7.4284 7.4368 7.7844 7.8071 11.8250 11.9080 12.2507 12.5028 13.9557 14.0034 14.2513 14.4588 15.0621 15.1222 k = 0.2917-0.1735-0.1220 ( 4105 PWs) bands (ev): -10.8711 -10.8555 -9.6076 -9.5761 -8.9848 -8.9660 -8.8831 -8.8813 -8.5709 -8.5541 -8.5331 -8.5303 -1.4012 -1.3982 -0.7464 -0.7454 1.0745 1.0780 2.4238 2.4420 2.5658 2.8569 2.9639 3.0352 3.1619 3.1925 3.5444 3.5796 5.0179 5.2568 5.3408 5.5176 5.5728 5.6259 5.7619 5.7789 5.9849 6.0489 6.2939 6.3597 6.8258 6.8266 6.9657 7.0075 7.0501 7.0761 7.2484 7.2887 7.4067 7.4154 7.7714 7.7948 11.7576 11.8593 12.1694 12.4153 13.9222 13.9652 14.2036 14.4029 15.0447 15.0987 k = 0.3056-0.1818-0.1278 ( 4108 PWs) bands (ev): -10.8385 -10.8222 -9.6477 -9.6163 -8.9768 -8.9582 -8.8756 -8.8738 -8.5854 -8.5683 -8.5453 -8.5426 -1.4007 -1.3982 -0.7863 -0.7850 1.1317 1.1353 2.4531 2.4668 2.5727 2.9019 3.0087 3.0718 3.2076 3.2337 3.5667 3.5929 5.0852 5.2141 5.3456 5.4524 5.5301 5.6047 5.7176 5.7329 5.9731 6.0491 6.3041 6.3691 6.8377 6.8396 6.9785 7.0173 7.0592 7.0839 7.2228 7.2639 7.3844 7.3936 7.7582 7.7819 11.6893 11.8094 12.0869 12.3262 13.8921 13.9295 14.1573 14.3483 15.0276 15.0760 k = 0.3194-0.1900-0.1336 ( 4108 PWs) bands (ev): -10.8047 -10.7877 -9.6890 -9.6578 -8.9681 -8.9497 -8.8677 -8.8659 -8.6001 -8.5828 -8.5577 -8.5551 -1.3990 -1.3970 -0.8256 -0.8242 1.1906 1.1943 2.4609 2.5045 2.5829 2.9464 3.0543 3.1069 3.2538 3.2751 3.5885 3.6063 5.1300 5.1567 5.3311 5.3868 5.4969 5.5946 5.6733 5.6859 5.9729 6.0697 6.3188 6.3831 6.8502 6.8535 6.9914 7.0272 7.0681 7.0908 7.1989 7.2404 7.3616 7.3712 7.7448 7.7682 11.6209 11.7587 12.0037 12.2361 13.8655 13.8965 14.1125 14.2954 15.0111 15.0543 k = 0.3333-0.1983-0.1394 ( 4112 PWs) bands (ev): -10.7697 -10.7519 -9.7314 -9.7004 -8.9588 -8.9406 -8.8596 -8.8578 -8.6149 -8.5975 -8.5702 -8.5678 -1.3959 -1.3943 -0.8643 -0.8628 1.2513 1.2549 2.4642 2.5248 2.6076 2.9905 3.0999 3.1400 3.3002 3.3165 3.6103 3.6207 5.0981 5.1464 5.2954 5.3214 5.4744 5.5813 5.6303 5.6381 5.9892 6.1128 6.3376 6.4013 6.8629 6.8678 7.0042 7.0373 7.0767 7.0966 7.1771 7.2187 7.3384 7.3485 7.7311 7.7535 11.5533 11.7077 11.9205 12.1461 13.8424 13.8664 14.0695 14.2443 14.9956 15.0341 k = 0.3472-0.2066-0.1453 ( 4114 PWs) bands (ev): -10.7335 -10.7151 -9.7746 -9.7439 -8.9490 -8.9310 -8.8512 -8.8493 -8.6299 -8.6123 -8.5829 -8.5806 -1.3915 -1.3902 -0.9021 -0.9006 1.3135 1.3171 2.4622 2.5241 2.6492 3.0341 3.1449 3.1707 3.3467 3.3577 3.6326 3.6368 5.0413 5.1364 5.2484 5.2566 5.4581 5.5547 5.5900 5.5912 6.0248 6.1746 6.3597 6.4231 6.8749 6.8818 7.0169 7.0474 7.0848 7.1008 7.1587 7.1995 7.3147 7.3256 7.7169 7.7375 11.4875 11.6572 11.8378 12.0568 13.8228 13.8392 14.0284 14.1954 14.9812 15.0155 k = 0.3611-0.2148-0.1511 ( 4106 PWs) bands (ev): -10.6962 -10.6771 -9.8186 -9.7883 -8.9386 -8.9207 -8.8426 -8.8407 -8.6448 -8.6272 -8.5956 -8.5935 -1.3855 -1.3846 -0.9391 -0.9375 1.3770 1.3806 2.4541 2.5108 2.6987 3.0770 3.1886 3.1986 3.3927 3.3986 3.6550 3.6554 4.9874 5.1081 5.1933 5.1966 5.4409 5.5164 5.5422 5.5545 6.0791 6.2484 6.3846 6.4480 6.8852 6.8946 7.0293 7.0573 7.0924 7.1029 7.1450 7.1842 7.2908 7.3027 7.7019 7.7196 11.4247 11.6078 11.7564 11.9694 13.8067 13.8150 13.9895 14.1488 14.9681 14.9986 k = 0.3750-0.2231-0.1569 ( 4108 PWs) bands (ev): -10.6579 -10.6380 -9.8632 -9.8332 -8.9277 -8.9100 -8.8337 -8.8319 -8.6597 -8.6420 -8.6083 -8.6063 -1.3781 -1.3775 -0.9750 -0.9734 1.4419 1.4453 2.4394 2.4889 2.7514 3.1190 3.2233 3.2303 3.4379 3.4394 3.6751 3.6781 4.9377 5.0703 5.1321 5.1432 5.4188 5.4738 5.4952 5.5164 6.1477 6.3277 6.4116 6.4757 6.8926 6.9049 7.0411 7.0664 7.0992 7.1032 7.1373 7.1742 7.2668 7.2800 7.6858 7.6996 11.3659 11.5605 11.6769 11.8846 13.7939 13.7941 13.9529 14.1046 14.9565 14.9836 k = 0.3889-0.2314-0.1627 ( 4109 PWs) bands (ev): -10.6185 -10.5980 -9.9084 -9.8788 -8.9163 -8.8988 -8.8248 -8.8231 -8.6743 -8.6566 -8.6210 -8.6192 -1.3691 -1.3687 -1.0098 -1.0083 1.5078 1.5110 2.4178 2.4597 2.8054 3.1599 3.2442 3.2692 3.4800 3.4821 3.6964 3.7003 4.8931 5.0285 5.0738 5.0903 5.3919 5.4311 5.4495 5.4762 6.2252 6.4072 6.4402 6.5061 6.8958 6.9113 7.0519 7.0737 7.1035 7.1045 7.1359 7.1720 7.2429 7.2581 7.6682 7.6769 11.3123 11.5161 11.6001 11.8035 13.7759 13.7849 13.9189 14.0629 14.9465 14.9706 k = 0.4028-0.2396-0.1685 ( 4120 PWs) bands (ev): -10.5782 -10.5571 -9.9539 -9.9247 -8.9045 -8.8872 -8.8159 -8.8143 -8.6885 -8.6709 -8.6336 -8.6320 -1.3586 -1.3584 -1.0435 -1.0421 1.5745 1.5774 2.3893 2.4241 2.8600 3.1994 3.2606 3.3046 3.5204 3.5247 3.7177 3.7210 4.8546 4.9862 5.0194 5.0391 5.3620 5.3900 5.4060 5.4351 6.3062 6.4698 6.4814 6.5405 6.8942 6.9129 7.0609 7.0776 7.1049 7.1079 7.1411 7.1795 7.2197 7.2378 7.6487 7.6510 11.2651 11.4758 11.5268 11.7269 13.7611 13.7791 13.8874 14.0238 14.9382 14.9596 k = 0.4167-0.2479-0.1743 ( 4120 PWs) bands (ev): -10.5371 -10.5152 -9.9998 -9.9710 -8.8924 -8.8753 -8.8073 -8.8061 -8.7019 -8.6847 -8.6461 -8.6448 -1.3465 -1.3464 -1.0758 -1.0745 1.6420 1.6444 2.3542 2.3826 2.9143 3.2372 3.2717 3.3357 3.5604 3.5655 3.7376 3.7392 4.8230 4.9456 4.9698 4.9907 5.3312 5.3518 5.3653 5.3947 6.3862 6.5003 6.5408 6.5850 6.8886 6.9100 7.0669 7.0761 7.1072 7.1093 7.1538 7.1938 7.2015 7.2206 7.6216 7.6267 11.2253 11.4406 11.4578 11.6557 13.7496 13.7766 13.8587 13.9874 14.9318 14.9506 k = 0.4306-0.2562-0.1801 ( 4115 PWs) bands (ev): -10.4951 -10.4726 -10.0458 -10.0175 -8.8800 -8.8630 -8.7993 -8.7988 -8.7139 -8.6975 -8.6584 -8.6573 -1.3327 -1.3327 -1.1068 -1.1056 1.7099 1.7116 2.3131 2.3358 2.9677 3.2728 3.2767 3.3616 3.5995 3.6041 3.7537 3.7547 4.7989 4.9085 4.9261 4.9458 5.3017 5.3175 5.3283 5.3563 6.4605 6.5315 6.5817 6.6400 6.8811 6.9042 7.0668 7.0681 7.1100 7.1114 7.1704 7.1778 7.2103 7.2253 7.5885 7.6019 11.1937 11.3939 11.4115 11.5908 13.7412 13.7774 13.8329 13.9538 14.9273 14.9437 k = 0.4444-0.2644-0.1859 ( 4111 PWs) bands (ev): -10.4523 -10.4292 -10.0919 -10.0641 -8.8672 -8.8506 -8.7938 -8.7926 -8.7233 -8.7085 -8.6704 -8.6697 -1.3174 -1.3173 -1.1363 -1.1353 1.7779 1.7788 2.2666 2.2844 3.0195 3.2748 3.3056 3.3817 3.6370 3.6399 3.7636 3.7673 4.7828 4.8760 4.8891 4.9053 5.2752 5.2883 5.2957 5.3213 6.5232 6.5647 6.6151 6.6903 6.8747 6.8991 7.0497 7.0615 7.1118 7.1176 7.1626 7.1764 7.2205 7.2592 7.5516 7.5738 11.1713 11.3359 11.3894 11.5331 13.7362 13.7814 13.8099 13.9230 14.9248 14.9388 k = 0.4583-0.2727-0.1917 ( 4109 PWs) bands (ev): -10.4089 -10.3851 -10.1380 -10.1107 -8.8544 -8.8381 -8.7929 -8.7887 -8.7283 -8.7165 -8.6821 -8.6817 -1.3004 -1.3003 -1.1644 -1.1636 1.8457 1.8458 2.2154 2.2290 3.0689 3.2656 3.3348 3.3953 3.6721 3.6726 3.7681 3.7740 4.7747 4.8495 4.8594 4.8695 5.2533 5.2652 5.2685 5.2911 6.5677 6.6005 6.6458 6.7260 6.8738 6.9004 7.0261 7.0460 7.1156 7.1249 7.1516 7.1704 7.2507 7.2984 7.5112 7.5422 11.1584 11.2846 11.3753 11.4832 13.7343 13.7885 13.7899 13.8950 14.9245 14.9359 k = 0.4722-0.2809-0.1975 ( 4111 PWs) bands (ev): -10.3648 -10.3404 -10.1839 -10.1572 -8.8415 -8.8257 -8.7971 -8.7890 -8.7277 -8.7198 -8.6933 -8.6931 -1.2817 -1.2816 -1.1910 -1.1904 1.9118 1.9132 2.1601 2.1703 3.1150 3.2488 3.3599 3.4019 3.7015 3.7037 3.7666 3.7740 4.7742 4.8304 4.8373 4.8389 5.2374 5.2476 5.2492 5.2671 6.5982 6.6291 6.6743 6.7411 6.8831 6.9137 6.9977 7.0235 7.1206 7.1324 7.1437 7.1628 7.2889 7.3407 7.4679 7.5070 11.1554 11.2410 11.3699 11.4420 13.7357 13.7729 13.7988 13.8699 14.9262 14.9349 k = 0.4861-0.2892-0.2034 ( 4110 PWs) bands (ev): -10.3202 -10.2952 -10.2297 -10.2035 -8.8287 -8.8138 -8.8055 -8.7941 -8.7224 -8.7179 -8.7042 -8.7032 -1.2614 -1.2612 -1.2161 -1.2156 1.9769 1.9798 2.1015 2.1088 3.1570 3.2247 3.3798 3.4013 3.7260 3.7308 3.7590 3.7666 4.7809 4.8137 4.8194 4.8231 5.2285 5.2336 5.2411 5.2502 6.6211 6.6406 6.7002 6.7376 6.9043 6.9379 6.9662 6.9964 7.1261 7.1374 7.1401 7.1552 7.3316 7.3842 7.4226 7.4685 11.1624 11.2056 11.3737 11.4097 13.7403 13.7589 13.8121 13.8477 14.9301 14.9359 k = 0.5000-0.2975-0.2092 ( 4104 PWs) bands (ev): -10.2751 -10.2751 -10.2495 -10.2495 -8.8165 -8.8165 -8.8029 -8.8029 -8.7141 -8.7141 -8.7118 -8.7118 -1.2396 -1.2396 -1.2392 -1.2392 2.0403 2.0403 2.0451 2.0451 3.1938 3.1938 3.3938 3.3938 3.7453 3.7453 3.7520 3.7520 4.7943 4.7943 4.8170 4.8170 5.2272 5.2272 5.2414 5.2414 6.6363 6.6363 6.7222 6.7222 6.9337 6.9337 6.9670 6.9670 7.1317 7.1317 7.1476 7.1476 7.3767 7.3767 7.4273 7.4273 11.1793 11.1793 11.3869 11.3869 13.7481 13.7481 13.8284 13.8284 14.9361 14.9361 k = 0.5000-0.2975-0.2092 ( 4104 PWs) bands (ev): -10.2751 -10.2751 -10.2495 -10.2495 -8.8165 -8.8165 -8.8029 -8.8029 -8.7141 -8.7141 -8.7118 -8.7118 -1.2396 -1.2396 -1.2392 -1.2392 2.0403 2.0403 2.0451 2.0451 3.1938 3.1938 3.3938 3.3938 3.7453 3.7453 3.7520 3.7520 4.7943 4.7943 4.8170 4.8170 5.2272 5.2272 5.2414 5.2414 6.6363 6.6363 6.7222 6.7222 6.9337 6.9337 6.9670 6.9670 7.1317 7.1317 7.1476 7.1476 7.3767 7.3767 7.4273 7.4273 11.1793 11.1793 11.3869 11.3869 13.7481 13.7481 13.8284 13.8284 14.9361 14.9361 k = 0.5000-0.2875-0.2233 ( 4112 PWs) bands (ev): -10.2746 -10.2746 -10.2490 -10.2490 -8.8196 -8.8196 -8.8054 -8.8053 -8.7135 -8.7135 -8.7085 -8.7085 -1.2399 -1.2399 -1.2395 -1.2395 2.0409 2.0410 2.0461 2.0461 3.1925 3.1925 3.3962 3.3962 3.7319 3.7319 3.7704 3.7704 4.7877 4.7877 4.8157 4.8157 5.2289 5.2289 5.2470 5.2470 6.6348 6.6348 6.7213 6.7213 6.9334 6.9334 6.9668 6.9668 7.1289 7.1289 7.1455 7.1455 7.3766 7.3766 7.4278 7.4278 11.1801 11.1801 11.3883 11.3883 13.7432 13.7432 13.8285 13.8285 14.9205 14.9205 k = 0.5000-0.2776-0.2374 ( 4108 PWs) bands (ev): -10.2730 -10.2729 -10.2473 -10.2473 -8.8278 -8.8278 -8.8125 -8.8125 -8.7097 -8.7097 -8.7016 -8.7016 -1.2407 -1.2407 -1.2401 -1.2401 2.0431 2.0431 2.0489 2.0489 3.1888 3.1888 3.4029 3.4029 3.7213 3.7213 3.7959 3.7959 4.7709 4.7709 4.8098 4.8098 5.2356 5.2356 5.2613 5.2613 6.6302 6.6302 6.7185 6.7185 6.9322 6.9322 6.9659 6.9659 7.1212 7.1212 7.1390 7.1390 7.3766 7.3766 7.4295 7.4295 11.1827 11.1827 11.3922 11.3922 13.7296 13.7296 13.8279 13.8279 14.9033 14.9033 k = 0.5000-0.2677-0.2515 ( 4106 PWs) bands (ev): -10.2702 -10.2702 -10.2446 -10.2446 -8.8398 -8.8398 -8.8234 -8.8234 -8.7032 -8.7032 -8.6930 -8.6930 -1.2420 -1.2420 -1.2413 -1.2413 2.0467 2.0467 2.0536 2.0536 3.1839 3.1839 3.4125 3.4125 3.7169 3.7169 3.8252 3.8252 4.7472 4.7472 4.7978 4.7978 5.2485 5.2485 5.2813 5.2813 6.6224 6.6224 6.7138 6.7138 6.9297 6.9297 6.9639 6.9639 7.1095 7.1095 7.1287 7.1287 7.3764 7.3764 7.4319 7.4319 11.1868 11.1868 11.3986 11.3986 13.7093 13.7093 13.8250 13.8250 14.8862 14.8862 k = 0.5000-0.2578-0.2656 ( 4104 PWs) bands (ev): -10.2664 -10.2664 -10.2407 -10.2407 -8.8544 -8.8544 -8.8372 -8.8372 -8.6951 -8.6951 -8.6836 -8.6836 -1.2439 -1.2439 -1.2430 -1.2430 2.0520 2.0520 2.0599 2.0600 3.1787 3.1787 3.4236 3.4236 3.7194 3.7195 3.8575 3.8575 4.7189 4.7189 4.7803 4.7803 5.2667 5.2667 5.3054 5.3054 6.6114 6.6114 6.7069 6.7069 6.9250 6.9250 6.9601 6.9601 7.0954 7.0954 7.1155 7.1155 7.3762 7.3762 7.4347 7.4347 11.1925 11.1925 11.4074 11.4074 13.6838 13.6838 13.8186 13.8186 14.8695 14.8695 k = 0.5000-0.2479-0.2797 ( 4100 PWs) bands (ev): -10.2616 -10.2616 -10.2358 -10.2358 -8.8708 -8.8708 -8.8531 -8.8531 -8.6863 -8.6862 -8.6740 -8.6739 -1.2462 -1.2462 -1.2452 -1.2452 2.0589 2.0589 2.0681 2.0681 3.1744 3.1744 3.4347 3.4347 3.7291 3.7291 3.8922 3.8922 4.6874 4.6874 4.7588 4.7588 5.2890 5.2890 5.3323 5.3323 6.5971 6.5971 6.6974 6.6974 6.9169 6.9169 6.9534 6.9534 7.0807 7.0808 7.1014 7.1014 7.3759 7.3759 7.4378 7.4378 11.1994 11.1994 11.4183 11.4183 13.6543 13.6543 13.8082 13.8082 14.8533 14.8533 k = 0.5000-0.2380-0.2938 ( 4092 PWs) bands (ev): -10.2557 -10.2557 -10.2299 -10.2299 -8.8887 -8.8886 -8.8705 -8.8705 -8.6772 -8.6772 -8.6644 -8.6644 -1.2490 -1.2490 -1.2478 -1.2478 2.0674 2.0674 2.0779 2.0779 3.1717 3.1717 3.4453 3.4453 3.7457 3.7457 3.9288 3.9288 4.6537 4.6537 4.7345 4.7345 5.3144 5.3144 5.3612 5.3612 6.5792 6.5792 6.6848 6.6848 6.9038 6.9038 6.9427 6.9427 7.0672 7.0672 7.0888 7.0888 7.3755 7.3755 7.4408 7.4408 11.2075 11.2075 11.4310 11.4310 13.6219 13.6219 13.7937 13.7937 14.8377 14.8377 k = 0.5000-0.2280-0.3079 ( 4100 PWs) bands (ev): -10.2489 -10.2489 -10.2230 -10.2230 -8.9077 -8.9077 -8.8892 -8.8892 -8.6682 -8.6682 -8.6552 -8.6552 -1.2523 -1.2523 -1.2509 -1.2509 2.0777 2.0777 2.0895 2.0895 3.1710 3.1711 3.4553 3.4553 3.7681 3.7681 3.9664 3.9664 4.6190 4.6190 4.7088 4.7088 5.3418 5.3418 5.3916 5.3916 6.5575 6.5575 6.6684 6.6684 6.8847 6.8847 6.9269 6.9269 7.0562 7.0562 7.0799 7.0799 7.3749 7.3749 7.4438 7.4438 11.2163 11.2164 11.4453 11.4453 13.5871 13.5871 13.7753 13.7753 14.8225 14.8225 k = 0.5000-0.2181-0.3220 ( 4100 PWs) bands (ev): -10.2410 -10.2410 -10.2151 -10.2151 -8.9276 -8.9276 -8.9090 -8.9089 -8.6594 -8.6594 -8.6463 -8.6463 -1.2561 -1.2561 -1.2545 -1.2545 2.0897 2.0898 2.1028 2.1028 3.1729 3.1729 3.4649 3.4649 3.7953 3.7953 4.0044 4.0044 4.5840 4.5840 4.6829 4.6829 5.3707 5.3707 5.4229 5.4229 6.5315 6.5315 6.6475 6.6475 6.8605 6.8605 6.9057 6.9057 7.0487 7.0487 7.0754 7.0754 7.3742 7.3742 7.4467 7.4467 11.2258 11.2258 11.4606 11.4606 13.5507 13.5507 13.7536 13.7536 14.8075 14.8075 k = 0.5000-0.2082-0.3361 ( 4104 PWs) bands (ev): -10.2323 -10.2323 -10.2062 -10.2062 -8.9484 -8.9484 -8.9295 -8.9295 -8.6509 -8.6509 -8.6378 -8.6378 -1.2604 -1.2604 -1.2586 -1.2586 2.1035 2.1035 2.1177 2.1177 3.1773 3.1773 3.4748 3.4748 3.8256 3.8256 4.0417 4.0417 4.5497 4.5497 4.6580 4.6580 5.4004 5.4004 5.4548 5.4548 6.5009 6.5009 6.6210 6.6210 6.8330 6.8330 6.8796 6.8797 7.0451 7.0451 7.0745 7.0745 7.3734 7.3734 7.4495 7.4495 11.2356 11.2356 11.4767 11.4767 13.5134 13.5134 13.7293 13.7293 14.7924 14.7924 k = 0.5000-0.1983-0.3502 ( 4102 PWs) bands (ev): -10.2227 -10.2227 -10.1965 -10.1965 -8.9699 -8.9699 -8.9508 -8.9508 -8.6429 -8.6429 -8.6297 -8.6297 -1.2650 -1.2650 -1.2631 -1.2631 2.1189 2.1189 2.1343 2.1343 3.1846 3.1846 3.4854 3.4854 3.8575 3.8575 4.0772 4.0772 4.5173 4.5173 4.6353 4.6353 5.4307 5.4307 5.4873 5.4873 6.4654 6.4654 6.5880 6.5880 6.8045 6.8045 6.8503 6.8503 7.0447 7.0447 7.0760 7.0760 7.3727 7.3727 7.4524 7.4524 11.2453 11.2453 11.4931 11.4931 13.4757 13.4757 13.7031 13.7031 14.7769 14.7769 k = 0.5000-0.1884-0.3643 ( 4106 PWs) bands (ev): -10.2123 -10.2123 -10.1860 -10.1860 -8.9919 -8.9919 -8.9727 -8.9727 -8.6352 -8.6352 -8.6221 -8.6221 -1.2700 -1.2700 -1.2679 -1.2679 2.1359 2.1359 2.1524 2.1524 3.1946 3.1946 3.4969 3.4969 3.8894 3.8894 4.1091 4.1091 4.4880 4.4881 4.6160 4.6160 5.4612 5.4612 5.5201 5.5201 6.4247 6.4247 6.5479 6.5479 6.7767 6.7767 6.8191 6.8191 7.0466 7.0467 7.0790 7.0790 7.3723 7.3723 7.4554 7.4554 11.2548 11.2548 11.5093 11.5093 13.4383 13.4383 13.6758 13.6758 14.7605 14.7605 k = 0.5000-0.1784-0.3784 ( 4100 PWs) bands (ev): -10.2011 -10.2011 -10.1748 -10.1748 -9.0144 -9.0144 -8.9951 -8.9951 -8.6280 -8.6279 -8.6149 -8.6149 -1.2754 -1.2754 -1.2731 -1.2731 2.1544 2.1544 2.1720 2.1720 3.2074 3.2074 3.5095 3.5095 3.9198 3.9198 4.1356 4.1356 4.4638 4.4638 4.6014 4.6014 5.4918 5.4918 5.5531 5.5531 6.3789 6.3789 6.5009 6.5009 6.7504 6.7504 6.7875 6.7875 7.0501 7.0501 7.0826 7.0826 7.3723 7.3723 7.4586 7.4586 11.2637 11.2637 11.5247 11.5247 13.4019 13.4019 13.6482 13.6482 14.7430 14.7430 k = 0.5000-0.1685-0.3925 ( 4108 PWs) bands (ev): -10.1893 -10.1893 -10.1629 -10.1629 -9.0372 -9.0372 -9.0179 -9.0178 -8.6211 -8.6211 -8.6082 -8.6082 -1.2811 -1.2811 -1.2787 -1.2787 2.1743 2.1743 2.1929 2.1929 3.2228 3.2228 3.5232 3.5232 3.9470 3.9470 4.1546 4.1546 4.4467 4.4467 4.5929 4.5929 5.5222 5.5222 5.5863 5.5863 6.3282 6.3282 6.4477 6.4477 6.7256 6.7256 6.7564 6.7564 7.0544 7.0544 7.0864 7.0864 7.3730 7.3730 7.4622 7.4622 11.2717 11.2717 11.5391 11.5391 13.3671 13.3671 13.6210 13.6210 14.7241 14.7242 k = 0.5000-0.1586-0.4067 ( 4100 PWs) bands (ev): -10.1769 -10.1769 -10.1505 -10.1505 -9.0602 -9.0602 -9.0408 -9.0408 -8.6147 -8.6147 -8.6018 -8.6018 -1.2871 -1.2870 -1.2845 -1.2845 2.1954 2.1954 2.2150 2.2150 3.2408 3.2408 3.5378 3.5378 3.9698 3.9698 4.1644 4.1645 4.4385 4.4385 4.5914 4.5914 5.5523 5.5523 5.6196 5.6196 6.2733 6.2733 6.3894 6.3894 6.7021 6.7021 6.7262 6.7262 7.0590 7.0590 7.0899 7.0899 7.3744 7.3744 7.4663 7.4663 11.2787 11.2787 11.5518 11.5518 13.3346 13.3346 13.5948 13.5948 14.7036 14.7036 k = 0.5000-0.1487-0.4208 ( 4106 PWs) bands (ev): -10.1641 -10.1641 -10.1376 -10.1376 -9.0831 -9.0831 -9.0638 -9.0638 -8.6087 -8.6087 -8.5959 -8.5959 -1.2932 -1.2932 -1.2905 -1.2905 2.2176 2.2176 2.2380 2.2380 3.2609 3.2610 3.5531 3.5531 3.9868 3.9868 4.1656 4.1656 4.4397 4.4397 4.5972 4.5972 5.5818 5.5818 5.6529 5.6529 6.2151 6.2151 6.3272 6.3272 6.6791 6.6791 6.6973 6.6973 7.0635 7.0635 7.0928 7.0928 7.3769 7.3769 7.4710 7.4710 11.2845 11.2845 11.5626 11.5626 13.3050 13.3050 13.5703 13.5703 14.6812 14.6812 k = 0.5000-0.1388-0.4349 ( 4108 PWs) bands (ev): -10.1509 -10.1509 -10.1244 -10.1244 -9.1060 -9.1060 -9.0867 -9.0866 -8.6031 -8.6031 -8.5904 -8.5904 -1.2996 -1.2996 -1.2966 -1.2966 2.2405 2.2405 2.2617 2.2617 3.2831 3.2831 3.5684 3.5684 3.9978 3.9978 4.1606 4.1606 4.4490 4.4491 4.6096 4.6096 5.6102 5.6102 5.6861 5.6861 6.1548 6.1548 6.2621 6.2621 6.6561 6.6561 6.6701 6.6701 7.0677 7.0677 7.0946 7.0946 7.3805 7.3805 7.4762 7.4762 11.2889 11.2889 11.5710 11.5710 13.2790 13.2790 13.5479 13.5479 14.6569 14.6569 k = 0.5000-0.1288-0.4490 ( 4112 PWs) bands (ev): -10.1375 -10.1375 -10.1110 -10.1110 -9.1285 -9.1284 -9.1093 -9.1093 -8.5978 -8.5978 -8.5853 -8.5853 -1.3060 -1.3060 -1.3029 -1.3029 2.2639 2.2639 2.2858 2.2858 3.3069 3.3069 3.5833 3.5833 4.0030 4.0030 4.1530 4.1530 4.4646 4.4646 4.6272 4.6272 5.6367 5.6367 5.7188 5.7188 6.0940 6.0940 6.1953 6.1953 6.6323 6.6323 6.6450 6.6450 7.0711 7.0711 7.0953 7.0953 7.3853 7.3853 7.4821 7.4821 11.2920 11.2920 11.5769 11.5769 13.2569 13.2569 13.5279 13.5279 14.6305 14.6305 k = 0.5000-0.1189-0.4631 ( 4110 PWs) bands (ev): -10.1241 -10.1241 -10.0977 -10.0977 -9.1504 -9.1504 -9.1314 -9.1314 -8.5930 -8.5930 -8.5806 -8.5806 -1.3124 -1.3124 -1.3092 -1.3092 2.2874 2.2874 2.3100 2.3100 3.3320 3.3320 3.5970 3.5970 4.0034 4.0034 4.1461 4.1461 4.4842 4.4842 4.6481 4.6481 5.6596 5.6596 5.7506 5.7506 6.0354 6.0354 6.1280 6.1281 6.6077 6.6077 6.6219 6.6219 7.0736 7.0736 7.0948 7.0948 7.3914 7.3914 7.4885 7.4885 11.2939 11.2939 11.5801 11.5801 13.2393 13.2393 13.5105 13.5105 14.6019 14.6019 k = 0.5000-0.1090-0.4772 ( 4108 PWs) bands (ev): -10.1108 -10.1108 -10.0845 -10.0845 -9.1716 -9.1716 -9.1528 -9.1528 -8.5885 -8.5885 -8.5762 -8.5762 -1.3188 -1.3188 -1.3155 -1.3155 2.3107 2.3107 2.3340 2.3340 3.3577 3.3577 3.6087 3.6087 4.0008 4.0008 4.1425 4.1425 4.5062 4.5062 4.6705 4.6706 5.6758 5.6758 5.7799 5.7799 5.9831 5.9831 6.0622 6.0622 6.5827 6.5827 6.5999 6.5999 7.0747 7.0747 7.0931 7.0931 7.3986 7.3986 7.4955 7.4956 11.2945 11.2945 11.5808 11.5808 13.2262 13.2262 13.4960 13.4960 14.5713 14.5713 k = 0.5000-0.0991-0.4913 ( 4108 PWs) bands (ev): -10.0978 -10.0978 -10.0717 -10.0717 -9.1918 -9.1918 -9.1734 -9.1734 -8.5843 -8.5843 -8.5722 -8.5722 -1.3251 -1.3251 -1.3217 -1.3217 2.3334 2.3334 2.3572 2.3572 3.3836 3.3836 3.6179 3.6179 3.9973 3.9973 4.1435 4.1435 4.5291 4.5291 4.6928 4.6928 5.6795 5.6796 5.8033 5.8033 5.9445 5.9445 6.0012 6.0013 6.5581 6.5581 6.5786 6.5786 7.0742 7.0742 7.0905 7.0905 7.4069 7.4069 7.5030 7.5030 11.2943 11.2943 11.5791 11.5791 13.2178 13.2178 13.4843 13.4843 14.5385 14.5385 k = 0.5000-0.0892-0.5054 ( 4112 PWs) bands (ev): -10.0853 -10.0853 -10.0596 -10.0595 -9.2107 -9.2107 -9.1927 -9.1927 -8.5806 -8.5805 -8.5686 -8.5686 -1.3313 -1.3313 -1.3277 -1.3277 2.3549 2.3549 2.3793 2.3793 3.4091 3.4091 3.6242 3.6242 3.9950 3.9950 4.1501 4.1501 4.5516 4.5516 4.7137 4.7137 5.6643 5.6643 5.8110 5.8110 5.9275 5.9275 5.9547 5.9547 6.5341 6.5341 6.5578 6.5578 7.0714 7.0714 7.0872 7.0872 7.4160 7.4160 7.5108 7.5108 11.2934 11.2934 11.5753 11.5753 13.2138 13.2138 13.4752 13.4752 14.5037 14.5037 k = 0.5000-0.0792-0.5195 ( 4114 PWs) bands (ev): -10.0736 -10.0735 -10.0483 -10.0483 -9.2280 -9.2280 -9.2107 -9.2107 -8.5771 -8.5771 -8.5653 -8.5653 -1.3372 -1.3372 -1.3336 -1.3336 2.3749 2.3749 2.3999 2.3999 3.4335 3.4335 3.6277 3.6277 3.9957 3.9957 4.1622 4.1622 4.5728 4.5728 4.7321 4.7321 5.6300 5.6301 5.7891 5.7891 5.9265 5.9265 5.9438 5.9438 6.5110 6.5110 6.5374 6.5374 7.0663 7.0663 7.0836 7.0836 7.4258 7.4258 7.5187 7.5187 11.2922 11.2922 11.5699 11.5699 13.2141 13.2141 13.4687 13.4687 14.4670 14.4670 k = 0.5000-0.0693-0.5336 ( 4116 PWs) bands (ev): -10.0628 -10.0628 -10.0381 -10.0381 -9.2436 -9.2436 -9.2269 -9.2269 -8.5740 -8.5740 -8.5623 -8.5623 -1.3429 -1.3429 -1.3392 -1.3392 2.3929 2.3929 2.4185 2.4185 3.4565 3.4565 3.6287 3.6287 4.0005 4.0005 4.1794 4.1794 4.5919 4.5919 4.7470 4.7470 5.5841 5.5841 5.7431 5.7431 5.9355 5.9355 5.9627 5.9627 6.4890 6.4890 6.5176 6.5176 7.0588 7.0588 7.0794 7.0794 7.4361 7.4361 7.5267 7.5267 11.2911 11.2911 11.5634 11.5634 13.2181 13.2181 13.4642 13.4642 14.4290 14.4290 k = 0.5000-0.0594-0.5477 ( 4110 PWs) bands (ev): -10.0534 -10.0533 -10.0293 -10.0293 -9.2570 -9.2570 -9.2412 -9.2411 -8.5712 -8.5712 -8.5597 -8.5597 -1.3482 -1.3482 -1.3444 -1.3444 2.4083 2.4083 2.4347 2.4347 3.4777 3.4777 3.6282 3.6282 4.0102 4.0102 4.2009 4.2009 4.6081 4.6081 4.7578 4.7578 5.5339 5.5339 5.6896 5.6896 5.9547 5.9547 5.9886 5.9886 6.4685 6.4685 6.4987 6.4987 7.0494 7.0494 7.0745 7.0745 7.4465 7.4465 7.5346 7.5346 11.2905 11.2905 11.5565 11.5565 13.2251 13.2251 13.4616 13.4616 14.3901 14.3901 k = 0.5000-0.0495-0.5618 ( 4106 PWs) bands (ev): -10.0454 -10.0454 -10.0222 -10.0222 -9.2679 -9.2679 -9.2531 -9.2531 -8.5688 -8.5688 -8.5574 -8.5574 -1.3532 -1.3532 -1.3494 -1.3494 2.4208 2.4208 2.4481 2.4481 3.4973 3.4973 3.6271 3.6271 4.0248 4.0248 4.2254 4.2254 4.6209 4.6209 4.7636 4.7636 5.4847 5.4847 5.6365 5.6365 5.9782 5.9782 6.0155 6.0155 6.4500 6.4500 6.4812 6.4812 7.0382 7.0382 7.0685 7.0685 7.4569 7.4569 7.5423 7.5423 11.2907 11.2907 11.5498 11.5498 13.2345 13.2345 13.4603 13.4603 14.3513 14.3513 k = 0.5000-0.0396-0.5759 ( 4112 PWs) bands (ev): -10.0392 -10.0392 -10.0170 -10.0170 -9.2762 -9.2762 -9.2626 -9.2626 -8.5667 -8.5667 -8.5555 -8.5555 -1.3578 -1.3578 -1.3539 -1.3539 2.4299 2.4299 2.4584 2.4584 3.5153 3.5153 3.6265 3.6265 4.0437 4.0437 4.2514 4.2514 4.6298 4.6298 4.7640 4.7640 5.4399 5.4399 5.5873 5.5873 6.0027 6.0027 6.0410 6.0410 6.4340 6.4340 6.4657 6.4657 7.0254 7.0254 7.0612 7.0612 7.4671 7.4671 7.5496 7.5496 11.2922 11.2922 11.5437 11.5437 13.2454 13.2454 13.4598 13.4598 14.3134 14.3134 k = 0.5000-0.0297-0.5900 ( 4108 PWs) bands (ev): -10.0349 -10.0349 -10.0139 -10.0139 -9.2817 -9.2817 -9.2693 -9.2693 -8.5649 -8.5649 -8.5539 -8.5539 -1.3619 -1.3619 -1.3580 -1.3580 2.4356 2.4356 2.4653 2.4653 3.5321 3.5321 3.6274 3.6274 4.0659 4.0659 4.2774 4.2774 4.6345 4.6345 4.7583 4.7583 5.4019 5.4019 5.5440 5.5440 6.0261 6.0261 6.0633 6.0633 6.4211 6.4211 6.4531 6.4531 7.0112 7.0112 7.0527 7.0527 7.4769 7.4769 7.5567 7.5567 11.2953 11.2953 11.5389 11.5389 13.2569 13.2569 13.4596 13.4596 14.2777 14.2777 k = 0.5000-0.0197-0.6041 ( 4106 PWs) bands (ev): -10.0328 -10.0328 -10.0131 -10.0130 -9.2841 -9.2840 -9.2731 -9.2730 -8.5634 -8.5634 -8.5527 -8.5527 -1.3656 -1.3656 -1.3617 -1.3617 2.4375 2.4375 2.4687 2.4687 3.5482 3.5482 3.6305 3.6305 4.0900 4.0900 4.3016 4.3016 4.6348 4.6348 4.7466 4.7466 5.3730 5.3730 5.5081 5.5081 6.0464 6.0464 6.0812 6.0812 6.4121 6.4121 6.4448 6.4448 6.9956 6.9956 7.0428 7.0428 7.4864 7.4864 7.5633 7.5633 11.3001 11.3001 11.5357 11.5357 13.2679 13.2679 13.4594 13.4594 14.2450 14.2450 k = 0.5000-0.0098-0.6183 ( 4114 PWs) bands (ev): -10.0328 -10.0328 -10.0145 -10.0145 -9.2834 -9.2834 -9.2738 -9.2738 -8.5623 -8.5623 -8.5517 -8.5517 -1.3689 -1.3689 -1.3650 -1.3650 2.4357 2.4357 2.4684 2.4684 3.5639 3.5639 3.6365 3.6365 4.1144 4.1144 4.3224 4.3224 4.6308 4.6308 4.7291 4.7291 5.3547 5.3547 5.4808 5.4808 6.0619 6.0619 6.0940 6.0940 6.4073 6.4073 6.4421 6.4421 6.9787 6.9787 7.0315 7.0315 7.4952 7.4952 7.5695 7.5695 11.3068 11.3068 11.5344 11.5344 13.2776 13.2776 13.4586 13.4586 14.2166 14.2166 k = 0.7528 0.1339-0.2184 ( 4114 PWs) bands (ev): -10.0328 -10.0328 -10.0145 -10.0145 -9.2834 -9.2833 -9.2738 -9.2737 -8.5623 -8.5623 -8.5518 -8.5517 -1.3689 -1.3689 -1.3650 -1.3650 2.4357 2.4357 2.4684 2.4684 3.5639 3.5639 3.6365 3.6365 4.1144 4.1144 4.3224 4.3224 4.6309 4.6309 4.7291 4.7291 5.3547 5.3547 5.4808 5.4808 6.0619 6.0619 6.0940 6.0940 6.4073 6.4073 6.4421 6.4421 6.9787 6.9787 7.0315 7.0315 7.4952 7.4952 7.5695 7.5695 11.3068 11.3068 11.5344 11.5345 13.2776 13.2776 13.4586 13.4586 14.2166 14.2166 k = 0.7444 0.1389-0.2045 ( 4116 PWs) bands (ev): -10.0351 -10.0351 -10.0182 -10.0182 -9.2797 -9.2796 -9.2715 -9.2714 -8.5615 -8.5615 -8.5512 -8.5512 -1.3717 -1.3717 -1.3678 -1.3678 2.4304 2.4304 2.4648 2.4648 3.5789 3.5789 3.6456 3.6456 4.1371 4.1371 4.3382 4.3382 4.6230 4.6230 4.7071 4.7071 5.3479 5.3480 5.4630 5.4630 6.0706 6.0706 6.1014 6.1014 6.4070 6.4070 6.4459 6.4459 6.9609 6.9609 7.0190 7.0190 7.5035 7.5035 7.5752 7.5753 11.3153 11.3154 11.5352 11.5353 13.2850 13.2850 13.4571 13.4571 14.1935 14.1935 k = 0.7359 0.1440-0.1905 ( 4112 PWs) bands (ev): -10.0395 -10.0394 -10.0240 -10.0240 -9.2730 -9.2730 -9.2662 -9.2662 -8.5611 -8.5610 -8.5509 -8.5509 -1.3740 -1.3740 -1.3701 -1.3701 2.4219 2.4219 2.4579 2.4579 3.5935 3.5936 3.6578 3.6578 4.1567 4.1567 4.3481 4.3481 4.6118 4.6118 4.6817 4.6817 5.3526 5.3526 5.4549 5.4549 6.0719 6.0719 6.1041 6.1041 6.4114 6.4114 6.4560 6.4560 6.9421 6.9421 7.0053 7.0053 7.5113 7.5113 7.5807 7.5807 11.3257 11.3257 11.5381 11.5381 13.2894 13.2894 13.4547 13.4547 14.1761 14.1761 k = 0.7275 0.1490-0.1766 ( 4114 PWs) bands (ev): -10.0459 -10.0458 -10.0318 -10.0317 -9.2637 -9.2637 -9.2581 -9.2581 -8.5609 -8.5609 -8.5510 -8.5510 -1.3758 -1.3758 -1.3720 -1.3720 2.4105 2.4105 2.4480 2.4480 3.6076 3.6076 3.6729 3.6729 4.1714 4.1714 4.3518 4.3518 4.5978 4.5978 4.6552 4.6552 5.3681 5.3681 5.4565 5.4565 6.0663 6.0663 6.1023 6.1023 6.4204 6.4204 6.4712 6.4712 6.9225 6.9225 6.9903 6.9903 7.5187 7.5187 7.5858 7.5858 11.3376 11.3376 11.5430 11.5430 13.2904 13.2904 13.4514 13.4514 14.1651 14.1651 k = 0.7191 0.1540-0.1626 ( 4110 PWs) bands (ev): -10.0541 -10.0541 -10.0413 -10.0413 -9.2520 -9.2519 -9.2472 -9.2472 -8.5611 -8.5610 -8.5515 -8.5514 -1.3773 -1.3773 -1.3735 -1.3735 2.3966 2.3967 2.4356 2.4357 3.6209 3.6210 3.6902 3.6902 4.1796 4.1796 4.3497 4.3497 4.5810 4.5810 4.6299 4.6299 5.3931 5.3932 5.4676 5.4677 6.0554 6.0554 6.0963 6.0963 6.4332 6.4333 6.4901 6.4901 6.9024 6.9024 6.9744 6.9744 7.5257 7.5257 7.5906 7.5906 11.3508 11.3508 11.5496 11.5496 13.2880 13.2880 13.4474 13.4474 14.1604 14.1604 k = 0.7107 0.1590-0.1487 ( 4108 PWs) bands (ev): -10.0639 -10.0639 -10.0525 -10.0524 -9.2380 -9.2380 -9.2338 -9.2338 -8.5616 -8.5615 -8.5522 -8.5522 -1.3783 -1.3783 -1.3746 -1.3746 2.3807 2.3807 2.4211 2.4211 3.6333 3.6333 3.7088 3.7088 4.1801 4.1801 4.3428 4.3428 4.5614 4.5614 4.6084 4.6084 5.4258 5.4258 5.4882 5.4882 6.0407 6.0407 6.0871 6.0871 6.4489 6.4489 6.5113 6.5113 6.8820 6.8820 6.9578 6.9578 7.5324 7.5325 7.5952 7.5952 11.3648 11.3648 11.5576 11.5576 13.2825 13.2825 13.4429 13.4429 14.1622 14.1622 k = 0.7022 0.1640-0.1347 ( 4114 PWs) bands (ev): -10.0752 -10.0752 -10.0649 -10.0649 -9.2222 -9.2222 -9.2181 -9.2180 -8.5624 -8.5624 -8.5533 -8.5533 -1.3790 -1.3790 -1.3753 -1.3753 2.3632 2.3632 2.4049 2.4049 3.6442 3.6442 3.7276 3.7276 4.1727 4.1727 4.3324 4.3324 4.5402 4.5402 4.5915 4.5915 5.4634 5.4635 5.5177 5.5178 6.0237 6.0237 6.0760 6.0760 6.4659 6.4659 6.5334 6.5335 6.8619 6.8619 6.9408 6.9408 7.5390 7.5390 7.5997 7.5997 11.3793 11.3793 11.5666 11.5666 13.2745 13.2745 13.4382 13.4382 14.1698 14.1698 k = 0.6938 0.1690-0.1208 ( 4112 PWs) bands (ev): -10.0876 -10.0876 -10.0783 -10.0783 -9.2047 -9.2047 -9.2003 -9.2003 -8.5636 -8.5636 -8.5548 -8.5548 -1.3794 -1.3794 -1.3758 -1.3757 2.3446 2.3446 2.3874 2.3874 3.6531 3.6531 3.7453 3.7453 4.1582 4.1582 4.3187 4.3187 4.5202 4.5202 4.5780 4.5781 5.5031 5.5031 5.5557 5.5558 6.0058 6.0058 6.0645 6.0645 6.4829 6.4829 6.5555 6.5555 6.8426 6.8426 6.9239 6.9239 7.5453 7.5453 7.6039 7.6039 11.3937 11.3937 11.5759 11.5759 13.2651 13.2651 13.4336 13.4336 14.1827 14.1827 k = 0.6854 0.1740-0.1068 ( 4116 PWs) bands (ev): -10.1009 -10.1009 -10.0926 -10.0925 -9.1858 -9.1857 -9.1809 -9.1809 -8.5652 -8.5651 -8.5567 -8.5566 -1.3795 -1.3795 -1.3759 -1.3759 2.3254 2.3254 2.3691 2.3691 3.6596 3.6596 3.7607 3.7607 4.1386 4.1386 4.3015 4.3015 4.5042 4.5042 4.5673 4.5673 5.5423 5.5424 5.6001 5.6002 5.9885 5.9885 6.0545 6.0545 6.4987 6.4988 6.5763 6.5763 6.8248 6.8248 6.9079 6.9079 7.5515 7.5515 7.6080 7.6080 11.4073 11.4074 11.5849 11.5849 13.2555 13.2555 13.4295 13.4295 14.2001 14.2001 k = 0.6770 0.1791-0.0929 ( 4116 PWs) bands (ev): -10.1149 -10.1149 -10.1074 -10.1074 -9.1655 -9.1655 -9.1601 -9.1601 -8.5671 -8.5670 -8.5589 -8.5588 -1.3793 -1.3793 -1.3758 -1.3758 2.3059 2.3059 2.3503 2.3503 3.6630 3.6630 3.7722 3.7722 4.1163 4.1163 4.2805 4.2805 4.4937 4.4937 4.5591 4.5591 5.5792 5.5792 5.6470 5.6470 5.9740 5.9741 6.0482 6.0482 6.5123 6.5123 6.5949 6.5949 6.8095 6.8095 6.8934 6.8934 7.5576 7.5576 7.6119 7.6119 11.4198 11.4198 11.5930 11.5930 13.2469 13.2469 13.4265 13.4265 14.2211 14.2211 k = 0.6685 0.1841-0.0790 ( 4114 PWs) bands (ev): -10.1294 -10.1294 -10.1225 -10.1225 -9.1442 -9.1442 -9.1383 -9.1383 -8.5693 -8.5693 -8.5614 -8.5614 -1.3789 -1.3789 -1.3755 -1.3755 2.2866 2.2866 2.3316 2.3316 3.6630 3.6630 3.7784 3.7784 4.0935 4.0935 4.2556 4.2556 4.4894 4.4894 4.5538 4.5539 5.6114 5.6114 5.6905 5.6905 5.9662 5.9662 6.0483 6.0483 6.5226 6.5226 6.6098 6.6098 6.7979 6.7979 6.8814 6.8815 7.5636 7.5636 7.6157 7.6157 11.4306 11.4306 11.5994 11.5994 13.2403 13.2403 13.4248 13.4248 14.2451 14.2451 k = 0.6601 0.1891-0.0650 ( 4108 PWs) bands (ev): -10.1441 -10.1441 -10.1379 -10.1379 -9.1220 -9.1220 -9.1157 -9.1157 -8.5720 -8.5720 -8.5644 -8.5644 -1.3783 -1.3783 -1.3750 -1.3750 2.2678 2.2678 2.3131 2.3131 3.6594 3.6594 3.7781 3.7781 4.0716 4.0716 4.2275 4.2275 4.4911 4.4912 4.5524 4.5524 5.6361 5.6362 5.7231 5.7231 5.9709 5.9709 6.0575 6.0576 6.5291 6.5291 6.6198 6.6198 6.7914 6.7914 6.8728 6.8728 7.5694 7.5694 7.6193 7.6193 11.4393 11.4393 11.6036 11.6036 13.2367 13.2367 13.4250 13.4250 14.2711 14.2711 k = 0.6517 0.1941-0.0511 ( 4106 PWs) bands (ev): -10.1589 -10.1589 -10.1532 -10.1532 -9.0992 -9.0992 -9.0925 -9.0924 -8.5750 -8.5750 -8.5678 -8.5678 -1.3777 -1.3777 -1.3744 -1.3744 2.2499 2.2499 2.2953 2.2953 3.6523 3.6523 3.7710 3.7710 4.0511 4.0511 4.1966 4.1966 4.4985 4.4985 4.5557 4.5557 5.6508 5.6509 5.7381 5.7381 5.9935 5.9935 6.0779 6.0779 6.5319 6.5319 6.6238 6.6238 6.7909 6.7909 6.8680 6.8680 7.5749 7.5749 7.6226 7.6226 11.4455 11.4455 11.6050 11.6050 13.2368 13.2368 13.4274 13.4274 14.2985 14.2985 k = 0.6432 0.1991-0.0371 ( 4098 PWs) bands (ev): -10.1736 -10.1736 -10.1683 -10.1683 -9.0759 -9.0758 -9.0689 -9.0688 -8.5785 -8.5785 -8.5716 -8.5716 -1.3769 -1.3769 -1.3738 -1.3738 2.2330 2.2330 2.2783 2.2783 3.6420 3.6420 3.7574 3.7574 4.0316 4.0316 4.1637 4.1637 4.5111 4.5111 4.5643 4.5643 5.6548 5.6548 5.7356 5.7356 6.0326 6.0327 6.1093 6.1093 6.5317 6.5317 6.6221 6.6221 6.7961 6.7962 6.8672 6.8672 7.5802 7.5802 7.6255 7.6255 11.4490 11.4490 11.6032 11.6032 13.2411 13.2411 13.4321 13.4321 14.3268 14.3268 k = 0.6348 0.2041-0.0232 ( 4094 PWs) bands (ev): -10.1880 -10.1880 -10.1832 -10.1832 -9.0522 -9.0522 -9.0450 -9.0450 -8.5824 -8.5824 -8.5758 -8.5758 -1.3761 -1.3761 -1.3731 -1.3731 2.2174 2.2174 2.2623 2.2623 3.6289 3.6289 3.7386 3.7386 4.0121 4.0122 4.1292 4.1292 4.5284 4.5284 4.5786 4.5786 5.6491 5.6491 5.7208 5.7209 6.0818 6.0819 6.1492 6.1492 6.5298 6.5298 6.6163 6.6163 6.8060 6.8060 6.8701 6.8701 7.5850 7.5850 7.6280 7.6281 11.4497 11.4497 11.5980 11.5980 13.2498 13.2498 13.4394 13.4394 14.3552 14.3552 k = 0.6264 0.2091-0.0092 ( 4096 PWs) bands (ev): -10.2021 -10.2021 -10.1977 -10.1977 -9.0285 -9.0284 -9.0211 -9.0210 -8.5868 -8.5867 -8.5805 -8.5805 -1.3753 -1.3753 -1.3724 -1.3724 2.2034 2.2034 2.2476 2.2476 3.6136 3.6136 3.7160 3.7160 3.9918 3.9918 4.0937 4.0937 4.5502 4.5502 4.5982 4.5983 5.6357 5.6357 5.6988 5.6988 6.1346 6.1346 6.1939 6.1939 6.5286 6.5286 6.6089 6.6089 6.8188 6.8188 6.8758 6.8759 7.5894 7.5894 7.6301 7.6301 11.4476 11.4476 11.5894 11.5894 13.2629 13.2629 13.4490 13.4490 14.3834 14.3834 k = 0.6180 0.2141 0.0047 ( 4096 PWs) bands (ev): -10.2157 -10.2157 -10.2116 -10.2116 -9.0047 -9.0046 -8.9972 -8.9972 -8.5916 -8.5915 -8.5856 -8.5856 -1.3746 -1.3746 -1.3718 -1.3718 2.1909 2.1909 2.2342 2.2342 3.5966 3.5967 3.6910 3.6910 3.9699 3.9699 4.0575 4.0575 4.5763 4.5763 4.6226 4.6226 5.6167 5.6167 5.6724 5.6724 6.1860 6.1860 6.2389 6.2389 6.5306 6.5307 6.6029 6.6029 6.8332 6.8332 6.8837 6.8837 7.5931 7.5931 7.6315 7.6315 11.4429 11.4429 11.5775 11.5775 13.2802 13.2802 13.4610 13.4610 14.4109 14.4109 k = 0.6095 0.2192 0.0187 ( 4104 PWs) bands (ev): -10.2287 -10.2287 -10.2249 -10.2249 -8.9810 -8.9810 -8.9736 -8.9736 -8.5969 -8.5968 -8.5913 -8.5912 -1.3739 -1.3739 -1.3713 -1.3713 2.1801 2.1801 2.2222 2.2222 3.5787 3.5787 3.6649 3.6649 3.9465 3.9465 4.0210 4.0210 4.6061 4.6062 4.6509 4.6510 5.5936 5.5936 5.6431 5.6431 6.2316 6.2316 6.2798 6.2798 6.5395 6.5395 6.6014 6.6014 6.8482 6.8482 6.8928 6.8928 7.5961 7.5962 7.6322 7.6322 11.4358 11.4358 11.5626 11.5626 13.3011 13.3011 13.4748 13.4749 14.4374 14.4374 k = 0.6011 0.2242 0.0326 ( 4106 PWs) bands (ev): -10.2410 -10.2410 -10.2376 -10.2376 -8.9576 -8.9576 -8.9503 -8.9502 -8.6027 -8.6026 -8.5974 -8.5974 -1.3732 -1.3732 -1.3708 -1.3708 2.1711 2.1711 2.2116 2.2116 3.5602 3.5602 3.6385 3.6385 3.9218 3.9218 3.9848 3.9848 4.6394 4.6394 4.6825 4.6825 5.5675 5.5676 5.6117 5.6118 6.2670 6.2670 6.3125 6.3126 6.5582 6.5582 6.6084 6.6084 6.8633 6.8633 6.9026 6.9026 7.5984 7.5984 7.6321 7.6321 11.4268 11.4268 11.5452 11.5452 13.3252 13.3252 13.4903 13.4903 14.4625 14.4625 k = 0.5927 0.2292 0.0465 ( 4100 PWs) bands (ev): -10.2526 -10.2526 -10.2495 -10.2494 -8.9346 -8.9345 -8.9273 -8.9273 -8.6090 -8.6090 -8.6041 -8.6040 -1.3726 -1.3726 -1.3704 -1.3704 2.1638 2.1638 2.2024 2.2024 3.5418 3.5418 3.6125 3.6125 3.8963 3.8963 3.9492 3.9492 4.6754 4.6754 4.7165 4.7165 5.5393 5.5394 5.5789 5.5789 6.2896 6.2896 6.3346 6.3346 6.5874 6.5874 6.6268 6.6268 6.8781 6.8781 6.9126 6.9126 7.5999 7.5999 7.6312 7.6312 11.4163 11.4163 11.5258 11.5258 13.3517 13.3517 13.5069 13.5069 14.4860 14.4860 k = 0.5843 0.2342 0.0605 ( 4100 PWs) bands (ev): -10.2634 -10.2634 -10.2605 -10.2605 -8.9120 -8.9119 -8.9049 -8.9049 -8.6160 -8.6159 -8.6113 -8.6112 -1.3721 -1.3721 -1.3700 -1.3700 2.1582 2.1582 2.1946 2.1946 3.5238 3.5238 3.5873 3.5873 3.8706 3.8706 3.9147 3.9147 4.7137 4.7138 4.7525 4.7525 5.5095 5.5095 5.5447 5.5447 6.3007 6.3008 6.3458 6.3458 6.6249 6.6250 6.6568 6.6568 6.8923 6.8923 6.9225 6.9225 7.6004 7.6004 7.6293 7.6293 11.4047 11.4047 11.5050 11.5050 13.3800 13.3800 13.5240 13.5240 14.5077 14.5077 k = 0.5758 0.2392 0.0744 ( 4092 PWs) bands (ev): -10.2732 -10.2732 -10.2707 -10.2706 -8.8899 -8.8899 -8.8831 -8.8830 -8.6235 -8.6235 -8.6190 -8.6190 -1.3717 -1.3717 -1.3698 -1.3698 2.1541 2.1541 2.1881 2.1881 3.5066 3.5066 3.5632 3.5632 3.8453 3.8453 3.8818 3.8818 4.7539 4.7539 4.7899 4.7900 5.4783 5.4783 5.5094 5.5094 6.3039 6.3039 6.3479 6.3479 6.6677 6.6677 6.6950 6.6951 6.9057 6.9057 6.9320 6.9320 7.6001 7.6001 7.6265 7.6265 11.3925 11.3925 11.4834 11.4834 13.4091 13.4091 13.5411 13.5411 14.5274 14.5274 k = 0.5674 0.2442 0.0884 ( 4096 PWs) bands (ev): -10.2822 -10.2822 -10.2799 -10.2799 -8.8684 -8.8684 -8.8619 -8.8619 -8.6317 -8.6316 -8.6274 -8.6274 -1.3714 -1.3714 -1.3697 -1.3697 2.1515 2.1515 2.1827 2.1827 3.4905 3.4905 3.5406 3.5406 3.8210 3.8210 3.8510 3.8510 4.7953 4.7953 4.8284 4.8284 5.4460 5.4460 5.4732 5.4732 6.3024 6.3024 6.3441 6.3441 6.7125 6.7125 6.7370 6.7370 6.9184 6.9184 6.9410 6.9410 7.5989 7.5989 7.6228 7.6228 11.3804 11.3804 11.4616 11.4616 13.4385 13.4385 13.5576 13.5576 14.5450 14.5450 k = 0.5590 0.2492 0.1023 ( 4098 PWs) bands (ev): -10.2902 -10.2902 -10.2881 -10.2881 -8.8477 -8.8476 -8.8414 -8.8414 -8.6405 -8.6405 -8.6364 -8.6363 -1.3711 -1.3711 -1.3696 -1.3696 2.1501 2.1502 2.1783 2.1783 3.4759 3.4759 3.5196 3.5196 3.7983 3.7983 3.8228 3.8228 4.8377 4.8377 4.8675 4.8676 5.4128 5.4128 5.4361 5.4362 6.2988 6.2988 6.3368 6.3368 6.7571 6.7571 6.7790 6.7790 6.9302 6.9302 6.9494 6.9494 7.5969 7.5969 7.6182 7.6182 11.3689 11.3689 11.4402 11.4402 13.4673 13.4673 13.5729 13.5729 14.5603 14.5603 k = 0.5506 0.2543 0.1163 ( 4096 PWs) bands (ev): -10.2971 -10.2971 -10.2954 -10.2954 -8.8276 -8.8275 -8.8217 -8.8217 -8.6500 -8.6500 -8.6460 -8.6459 -1.3709 -1.3709 -1.3696 -1.3696 2.1499 2.1499 2.1746 2.1746 3.4631 3.4631 3.5005 3.5005 3.7776 3.7776 3.7975 3.7975 4.8806 4.8806 4.9070 4.9070 5.3789 5.3789 5.3983 5.3983 6.2944 6.2944 6.3279 6.3279 6.7991 6.7991 6.8184 6.8184 6.9413 6.9413 6.9574 6.9574 7.5944 7.5944 7.6129 7.6130 11.3584 11.3584 11.4197 11.4197 13.4949 13.4949 13.5864 13.5864 14.5730 14.5730 k = 0.5421 0.2593 0.1302 ( 4100 PWs) bands (ev): -10.3030 -10.3030 -10.3016 -10.3016 -8.8083 -8.8083 -8.8028 -8.8028 -8.6603 -8.6602 -8.6562 -8.6562 -1.3708 -1.3708 -1.3697 -1.3697 2.1505 2.1505 2.1716 2.1716 3.4521 3.4522 3.4834 3.4834 3.7593 3.7593 3.7755 3.7755 4.9237 4.9237 4.9465 4.9465 5.3444 5.3444 5.3599 5.3599 6.2901 6.2901 6.3187 6.3187 6.8369 6.8369 6.8533 6.8533 6.9515 6.9516 6.9653 6.9653 7.5915 7.5915 7.6072 7.6072 11.3495 11.3495 11.4007 11.4007 13.5206 13.5206 13.5976 13.5976 14.5827 14.5827 k = 0.5337 0.2643 0.1441 ( 4098 PWs) bands (ev): -10.3079 -10.3079 -10.3067 -10.3067 -8.7898 -8.7898 -8.7848 -8.7847 -8.6713 -8.6712 -8.6671 -8.6671 -1.3706 -1.3706 -1.3698 -1.3698 2.1518 2.1518 2.1690 2.1690 3.4434 3.4435 3.4686 3.4686 3.7439 3.7439 3.7571 3.7571 4.9667 4.9667 4.9857 4.9857 5.3095 5.3096 5.3210 5.3210 6.2866 6.2866 6.3098 6.3098 6.8688 6.8688 6.8821 6.8821 6.9611 6.9611 6.9734 6.9734 7.5886 7.5886 7.6014 7.6014 11.3425 11.3425 11.3836 11.3836 13.5439 13.5439 13.6060 13.6060 14.5890 14.5890 k = 0.5253 0.2693 0.1581 ( 4104 PWs) bands (ev): -10.3116 -10.3116 -10.3108 -10.3108 -8.7722 -8.7721 -8.7676 -8.7676 -8.6830 -8.6830 -8.6786 -8.6786 -1.3706 -1.3706 -1.3699 -1.3699 2.1536 2.1536 2.1667 2.1667 3.4372 3.4372 3.4561 3.4561 3.7316 3.7316 3.7426 3.7426 5.0089 5.0089 5.0239 5.0239 5.2747 5.2747 5.2821 5.2822 6.2843 6.2843 6.3019 6.3019 6.8936 6.8936 6.9037 6.9037 6.9699 6.9699 6.9817 6.9817 7.5861 7.5861 7.5959 7.5959 11.3379 11.3379 11.3687 11.3687 13.5643 13.5644 13.6112 13.6112 14.5932 14.5932 k = 0.5169 0.2743 0.1720 ( 4104 PWs) bands (ev): -10.3143 -10.3143 -10.3137 -10.3137 -8.7554 -8.7554 -8.7516 -8.7515 -8.6956 -8.6955 -8.6907 -8.6906 -1.3705 -1.3705 -1.3700 -1.3700 2.1557 2.1557 2.1645 2.1645 3.4335 3.4335 3.4461 3.4461 3.7227 3.7227 3.7321 3.7321 5.0494 5.0494 5.0602 5.0602 5.2408 5.2408 5.2443 5.2444 6.2833 6.2833 6.2951 6.2951 6.9109 6.9109 6.9178 6.9178 6.9777 6.9777 6.9895 6.9895 7.5844 7.5844 7.5910 7.5910 11.3358 11.3358 11.3564 11.3564 13.5815 13.5815 13.6129 13.6129 14.5959 14.5959 k = 0.5084 0.2793 0.1860 ( 4108 PWs) bands (ev): -10.3158 -10.3158 -10.3155 -10.3155 -8.7398 -8.7398 -8.7371 -8.7371 -8.7086 -8.7086 -8.7027 -8.7026 -1.3704 -1.3704 -1.3702 -1.3702 2.1579 2.1579 2.1623 2.1623 3.4324 3.4324 3.4388 3.4388 3.7173 3.7173 3.7258 3.7258 5.0850 5.0850 5.0909 5.0909 5.2099 5.2099 5.2120 5.2120 6.2839 6.2839 6.2898 6.2898 6.9214 6.9214 6.9248 6.9248 6.9834 6.9834 6.9951 6.9951 7.5839 7.5839 7.5872 7.5872 11.3366 11.3366 11.3469 11.3469 13.5951 13.5951 13.6108 13.6108 14.5975 14.5975 k = 0.5000 0.2843 0.1999 ( 4110 PWs) bands (ev): -10.3162 -10.3162 -10.3162 -10.3162 -8.7288 -8.7288 -8.7288 -8.7288 -8.7187 -8.7187 -8.7101 -8.7101 -1.3703 -1.3703 -1.3703 -1.3703 2.1601 2.1601 2.1601 2.1601 3.4342 3.4342 3.4342 3.4342 3.7155 3.7155 3.7237 3.7237 5.1039 5.1039 5.1039 5.1039 5.1935 5.1935 5.1975 5.1975 6.2860 6.2860 6.2860 6.2860 6.9259 6.9259 6.9259 6.9259 6.9855 6.9855 6.9971 6.9971 7.5848 7.5848 7.5848 7.5848 11.3403 11.3403 11.3403 11.3403 13.6049 13.6049 13.6049 13.6049 14.5980 14.5980 k = 0.5000 0.2843 0.1999 ( 4110 PWs) bands (ev): -10.3162 -10.3162 -10.3162 -10.3162 -8.7288 -8.7288 -8.7288 -8.7288 -8.7187 -8.7187 -8.7101 -8.7101 -1.3703 -1.3703 -1.3703 -1.3703 2.1601 2.1601 2.1601 2.1601 3.4342 3.4342 3.4342 3.4342 3.7155 3.7155 3.7237 3.7237 5.1039 5.1039 5.1039 5.1039 5.1935 5.1935 5.1975 5.1975 6.2860 6.2860 6.2860 6.2860 6.9259 6.9259 6.9259 6.9259 6.9855 6.9855 6.9971 6.9971 7.5848 7.5848 7.5848 7.5848 11.3403 11.3403 11.3403 11.3403 13.6049 13.6049 13.6049 13.6049 14.5980 14.5980 k = 0.4861 0.2764 0.1944 ( 4113 PWs) bands (ev): -10.3591 -10.3591 -10.2731 -10.2731 -8.7410 -8.7410 -8.7311 -8.7225 -8.7164 -8.7164 -8.7062 -8.6976 -1.3904 -1.3904 -1.3482 -1.3482 2.0879 2.0879 2.2313 2.2313 3.3986 3.3986 3.4637 3.4637 3.6874 3.6954 3.7367 3.7450 5.0801 5.0801 5.1347 5.1347 5.1738 5.1777 5.2209 5.2249 6.2369 6.2369 6.3286 6.3286 6.9098 6.9098 6.9426 6.9426 6.9695 6.9810 7.0019 7.0136 7.5639 7.5639 7.6036 7.6036 11.3381 11.3381 11.3525 11.3525 13.5953 13.5953 13.6181 13.6181 14.5841 14.5978 k = 0.4722 0.2685 0.1888 ( 4104 PWs) bands (ev): -10.4014 -10.4014 -10.2296 -10.2296 -8.7530 -8.7530 -8.7432 -8.7347 -8.7039 -8.7039 -8.6935 -8.6849 -1.4087 -1.4087 -1.3243 -1.3243 2.0151 2.0151 2.3012 2.3012 3.3578 3.3578 3.4862 3.4862 3.6534 3.6613 3.7502 3.7587 5.0643 5.0643 5.1625 5.1664 5.1715 5.1715 5.2551 5.2591 6.1813 6.1813 6.3646 6.3646 6.8945 6.8945 6.9539 6.9600 6.9600 6.9654 7.0188 7.0304 7.5410 7.5410 7.6203 7.6203 11.3460 11.3460 11.3746 11.3746 13.5896 13.5896 13.6349 13.6349 14.5715 14.5853 k = 0.4583 0.2606 0.1833 ( 4092 PWs) bands (ev): -10.4433 -10.4433 -10.1859 -10.1859 -8.7647 -8.7647 -8.7551 -8.7467 -8.6912 -8.6912 -8.6807 -8.6721 -1.4250 -1.4250 -1.2985 -1.2985 1.9420 1.9420 2.3694 2.3694 3.3127 3.3127 3.5012 3.5012 3.6145 3.6221 3.7556 3.7643 5.0569 5.0569 5.1602 5.1639 5.2135 5.2135 5.2949 5.2989 6.1196 6.1196 6.3940 6.3940 6.8798 6.8798 6.9387 6.9501 6.9780 6.9780 7.0361 7.0477 7.5163 7.5163 7.6352 7.6352 11.3636 11.3636 11.4064 11.4064 13.5879 13.5879 13.6551 13.6551 14.5603 14.5742 k = 0.4444 0.2527 0.1777 ( 4098 PWs) bands (ev): -10.4846 -10.4846 -10.1420 -10.1420 -8.7763 -8.7763 -8.7668 -8.7584 -8.6784 -8.6784 -8.6678 -8.6592 -1.4395 -1.4395 -1.2709 -1.2709 1.8687 1.8687 2.4357 2.4357 3.2642 3.2642 3.5082 3.5082 3.5715 3.5790 3.7529 3.7616 5.0585 5.0585 5.1669 5.1704 5.2595 5.2595 5.3395 5.3435 6.0521 6.0521 6.4170 6.4170 6.8658 6.8658 6.9239 6.9353 6.9966 6.9966 7.0538 7.0655 7.4900 7.4900 7.6485 7.6485 11.3903 11.3903 11.4472 11.4472 13.5906 13.5906 13.6785 13.6785 14.5505 14.5646 k = 0.4306 0.2448 0.1722 ( 4098 PWs) bands (ev): -10.5252 -10.5252 -10.0981 -10.0981 -8.7875 -8.7875 -8.7782 -8.7699 -8.6655 -8.6655 -8.6547 -8.6462 -1.4520 -1.4520 -1.2416 -1.2416 1.7955 1.7955 2.4995 2.4995 3.2131 3.2131 3.5072 3.5072 3.5253 3.5326 3.7421 3.7509 5.0690 5.0690 5.1824 5.1857 5.3088 5.3088 5.3879 5.3918 5.9791 5.9791 6.4339 6.4339 6.8524 6.8524 6.9096 6.9209 7.0158 7.0158 7.0721 7.0837 7.4624 7.4624 7.6604 7.6604 11.4254 11.4254 11.4964 11.4964 13.5979 13.5979 13.7050 13.7050 14.5422 14.5565 k = 0.4167 0.2369 0.1666 ( 4101 PWs) bands (ev): -10.5651 -10.5651 -10.0542 -10.0542 -8.7985 -8.7985 -8.7893 -8.7811 -8.6526 -8.6526 -8.6417 -8.6331 -1.4627 -1.4627 -1.2105 -1.2105 1.7227 1.7227 2.5604 2.5604 3.1601 3.1601 3.4768 3.4839 3.4986 3.4986 3.7238 3.7327 5.0882 5.0882 5.2060 5.2092 5.3604 5.3604 5.4393 5.4430 5.9013 5.9013 6.4452 6.4453 6.8395 6.8395 6.8957 6.9069 7.0357 7.0357 7.0908 7.1024 7.4340 7.4340 7.6715 7.6715 11.4679 11.4679 11.5532 11.5532 13.6102 13.6102 13.7347 13.7347 14.5354 14.5499 k = 0.4028 0.2290 0.1611 ( 4101 PWs) bands (ev): -10.6042 -10.6042 -10.0105 -10.0105 -8.8092 -8.8092 -8.8001 -8.7921 -8.6396 -8.6396 -8.6285 -8.6201 -1.4714 -1.4714 -1.1778 -1.1778 1.6505 1.6505 2.6180 2.6180 3.1059 3.1059 3.4266 3.4336 3.4828 3.4828 3.6990 3.7079 5.1154 5.1154 5.2369 5.2399 5.4133 5.4133 5.4928 5.4964 5.8193 5.8193 6.4516 6.4516 6.8271 6.8271 6.8822 6.8934 7.0561 7.0561 7.1101 7.1216 7.4050 7.4050 7.6821 7.6821 11.5167 11.5167 11.6168 11.6168 13.6277 13.6277 13.7675 13.7675 14.5301 14.5448 k = 0.3889 0.2211 0.1555 ( 4107 PWs) bands (ev): -10.6425 -10.6425 -9.9670 -9.9670 -8.8195 -8.8195 -8.8107 -8.8028 -8.6266 -8.6266 -8.6154 -8.6071 -1.4784 -1.4784 -1.1434 -1.1434 1.5791 1.5791 2.6716 2.6716 3.0512 3.0512 3.3753 3.3821 3.4608 3.4608 3.6685 3.6774 5.1497 5.1497 5.2741 5.2768 5.4662 5.4662 5.5478 5.5514 5.7344 5.7344 6.4536 6.4536 6.8151 6.8151 6.8693 6.8804 7.0771 7.0771 7.1299 7.1414 7.3759 7.3759 7.6925 7.6925 11.5705 11.5706 11.6863 11.6863 13.6508 13.6508 13.8034 13.8034 14.5263 14.5412 k = 0.3750 0.2132 0.1499 ( 4107 PWs) bands (ev): -10.6799 -10.6799 -9.9237 -9.9237 -8.8296 -8.8296 -8.8209 -8.8131 -8.6137 -8.6137 -8.6023 -8.5941 -1.4835 -1.4835 -1.1075 -1.1075 1.5086 1.5086 2.7205 2.7205 2.9967 2.9967 3.3235 3.3301 3.4335 3.4335 3.6333 3.6423 5.1901 5.1901 5.3165 5.3189 5.5145 5.5145 5.6038 5.6072 5.6512 5.6512 6.4522 6.4522 6.8033 6.8033 6.8570 6.8679 7.0986 7.0986 7.1503 7.1617 7.3468 7.3468 7.7031 7.7031 11.6283 11.6283 11.7606 11.7606 13.6799 13.6799 13.8423 13.8423 14.5240 14.5391 k = 0.3611 0.2053 0.1444 ( 4104 PWs) bands (ev): -10.7164 -10.7164 -9.8809 -9.8809 -8.8393 -8.8393 -8.8307 -8.8232 -8.6008 -8.6008 -8.5893 -8.5812 -1.4868 -1.4868 -1.0701 -1.0701 1.4393 1.4393 2.7633 2.7633 2.9440 2.9440 3.2716 3.2779 3.4019 3.4019 3.5944 3.6033 5.2354 5.2354 5.3630 5.3651 5.5180 5.5180 5.6102 5.6102 5.6602 5.6634 6.4482 6.4482 6.7919 6.7919 6.8452 6.8561 7.1206 7.1206 7.1713 7.1826 7.3183 7.3183 7.7140 7.7140 11.6885 11.6885 11.8390 11.8391 13.7152 13.7152 13.8843 13.8843 14.5231 14.5385 k = 0.3472 0.1975 0.1388 ( 4116 PWs) bands (ev): -10.7519 -10.7519 -9.8386 -9.8386 -8.8487 -8.8487 -8.8403 -8.8329 -8.5880 -8.5880 -8.5764 -8.5684 -1.4884 -1.4884 -1.0314 -1.0314 1.3714 1.3714 2.7952 2.7952 2.8973 2.8973 3.2198 3.2260 3.3670 3.3670 3.5527 3.5616 5.2837 5.2837 5.4127 5.4145 5.4407 5.4407 5.6484 5.6484 5.7164 5.7195 6.4425 6.4425 6.7808 6.7808 6.8341 6.8449 7.1429 7.1429 7.1930 7.2041 7.2905 7.2905 7.7253 7.7253 11.7500 11.7500 11.9205 11.9205 13.7570 13.7570 13.9293 13.9293 14.5238 14.5394 k = 0.3333 0.1896 0.1333 ( 4125 PWs) bands (ev): -10.7864 -10.7864 -9.7968 -9.7968 -8.8578 -8.8578 -8.8495 -8.8423 -8.5753 -8.5753 -8.5635 -8.5557 -1.4884 -1.4884 -0.9914 -0.9914 1.3049 1.3049 2.7963 2.7964 2.8765 2.8765 3.1687 3.1746 3.3299 3.3299 3.5089 3.5177 5.3169 5.3169 5.3662 5.3662 5.4646 5.4660 5.6993 5.6993 5.7722 5.7752 6.4360 6.4360 6.7702 6.7702 6.8238 6.8345 7.1651 7.1651 7.2153 7.2262 7.2642 7.2642 7.7371 7.7371 11.8116 11.8116 12.0042 12.0042 13.8055 13.8055 13.9776 13.9776 14.5259 14.5418 k = 0.3194 0.1817 0.1277 ( 4122 PWs) bands (ev): -10.8197 -10.8197 -9.7557 -9.7557 -8.8665 -8.8665 -8.8583 -8.8513 -8.5628 -8.5628 -8.5509 -8.5432 -1.4867 -1.4867 -0.9501 -0.9501 1.2400 1.2400 2.7586 2.7586 2.8895 2.8895 3.1183 3.1241 3.2914 3.2914 3.4638 3.4725 5.2402 5.2402 5.4005 5.4005 5.5180 5.5190 5.7511 5.7511 5.8271 5.8299 6.4296 6.4296 6.7601 6.7601 6.8143 6.8249 7.1849 7.1849 7.2382 7.2417 7.2418 7.2490 7.7494 7.7494 11.8722 11.8722 12.0892 12.0892 13.8607 13.8607 14.0291 14.0291 14.5294 14.5455 k = 0.3056 0.1738 0.1222 ( 4092 PWs) bands (ev): -10.8520 -10.8520 -9.7155 -9.7155 -8.8749 -8.8749 -8.8668 -8.8600 -8.5504 -8.5504 -8.5384 -8.5310 -1.4835 -1.4835 -0.9077 -0.9077 1.1769 1.1769 2.7105 2.7105 2.9075 2.9075 3.0691 3.0746 3.2527 3.2527 3.4178 3.4264 5.1427 5.1427 5.4557 5.4557 5.5721 5.5727 5.8021 5.8021 5.8807 5.8835 6.4239 6.4239 6.7508 6.7508 6.8057 6.8163 7.1905 7.1905 7.2350 7.2350 7.2618 7.2723 7.7620 7.7620 11.9310 11.9310 12.1747 12.1747 13.9224 13.9224 14.0839 14.0839 14.5342 14.5506 k = 0.2917 0.1659 0.1166 ( 4089 PWs) bands (ev): -10.8830 -10.8830 -9.6761 -9.6761 -8.8828 -8.8828 -8.8749 -8.8684 -8.5383 -8.5383 -8.5262 -8.5189 -1.4789 -1.4789 -0.8644 -0.8644 1.1157 1.1157 2.6610 2.6610 2.9209 2.9209 3.0211 3.0263 3.2146 3.2146 3.3716 3.3800 5.0436 5.0436 5.5129 5.5129 5.6262 5.6264 5.8514 5.8514 5.9329 5.9355 6.4197 6.4197 6.7425 6.7425 6.7982 6.8087 7.1744 7.1744 7.2515 7.2515 7.2859 7.2962 7.7750 7.7750 11.9871 11.9871 12.2599 12.2599 13.9903 13.9903 14.1421 14.1421 14.5404 14.5570 k = 0.2778 0.1580 0.1111 ( 4089 PWs) bands (ev): -10.9129 -10.9129 -9.6377 -9.6377 -8.8905 -8.8905 -8.8826 -8.8763 -8.5265 -8.5265 -8.5142 -8.5072 -1.4730 -1.4730 -0.8204 -0.8204 1.0566 1.0566 2.6122 2.6122 2.9274 2.9274 2.9745 2.9796 3.1782 3.1782 3.3256 3.3338 4.9443 4.9443 5.5705 5.5705 5.6796 5.6798 5.8986 5.8986 5.9831 5.9856 6.4174 6.4174 6.7353 6.7353 6.7919 6.8023 7.1526 7.1526 7.2752 7.2752 7.3106 7.3205 7.7881 7.7881 12.0401 12.0401 12.3440 12.3440 14.0636 14.0636 14.2038 14.2038 14.5479 14.5646 k = 0.2639 0.1501 0.1055 ( 4077 PWs) bands (ev): -10.9415 -10.9415 -9.6004 -9.6004 -8.8977 -8.8977 -8.8900 -8.8839 -8.5150 -8.5150 -8.5025 -8.4958 -1.4657 -1.4657 -0.7757 -0.7757 0.9996 0.9996 2.5646 2.5646 2.9260 2.9260 2.9296 2.9344 3.1445 3.1445 3.2800 3.2881 4.8459 4.8459 5.6277 5.6277 5.7317 5.7324 5.9434 5.9434 6.0312 6.0336 6.4175 6.4176 6.7295 6.7295 6.7869 6.7972 7.1306 7.1306 7.3008 7.3008 7.3357 7.3453 7.8013 7.8013 12.0897 12.0897 12.4264 12.4264 14.1414 14.1414 14.2690 14.2690 14.5565 14.5733 k = 0.2500 0.1422 0.1000 ( 4059 PWs) bands (ev): -10.9689 -10.9689 -9.5643 -9.5643 -8.9046 -8.9046 -8.8970 -8.8912 -8.5037 -8.5037 -8.4912 -8.4847 -1.4574 -1.4574 -0.7306 -0.7306 0.9448 0.9448 2.5186 2.5186 2.8864 2.8909 2.9164 2.9164 3.1142 3.1142 3.2353 3.2432 4.7488 4.7488 5.6838 5.6838 5.7824 5.7834 5.9854 5.9854 6.0769 6.0792 6.4203 6.4204 6.7253 6.7253 6.7835 6.7936 7.1091 7.1091 7.3272 7.3272 7.3612 7.3704 7.8144 7.8144 12.1355 12.1355 12.5064 12.5064 14.2224 14.2224 14.3379 14.3379 14.5663 14.5831 k = 0.2361 0.1343 0.0944 ( 4056 PWs) bands (ev): -10.9950 -10.9950 -9.5294 -9.5294 -8.9111 -8.9111 -8.9036 -8.8980 -8.4929 -8.4929 -8.4802 -8.4740 -1.4482 -1.4482 -0.6852 -0.6852 0.8925 0.8925 2.4743 2.4743 2.8451 2.8493 2.8990 2.8990 3.0872 3.0872 3.1918 3.1994 4.6536 4.6536 5.7383 5.7383 5.8311 5.8325 6.0245 6.0245 6.1198 6.1220 6.4259 6.4259 6.7228 6.7229 6.7817 6.7917 7.0885 7.0885 7.3541 7.3541 7.3868 7.3957 7.8272 7.8272 12.1777 12.1777 12.5835 12.5835 14.3052 14.3052 14.4103 14.4103 14.5770 14.5939 k = 0.2222 0.1264 0.0889 ( 4056 PWs) bands (ev): -11.0197 -11.0197 -9.4960 -9.4960 -8.9172 -8.9172 -8.9098 -8.9045 -8.4825 -8.4825 -8.4696 -8.4637 -1.4381 -1.4381 -0.6398 -0.6398 0.8426 0.8426 2.4320 2.4320 2.8057 2.8097 2.8754 2.8754 3.0627 3.0627 3.1497 3.1570 4.5608 4.5608 5.7907 5.7907 5.8777 5.8794 6.0604 6.0604 6.1597 6.1618 6.4342 6.4342 6.7224 6.7225 6.7818 6.7917 7.0689 7.0689 7.3811 7.3811 7.4126 7.4211 7.8398 7.8398 12.2161 12.2161 12.6572 12.6572 14.3882 14.3882 14.4855 14.4855 14.5886 14.6054 k = 0.2083 0.1185 0.0833 ( 4050 PWs) bands (ev): -11.0431 -11.0431 -9.4640 -9.4640 -8.9229 -8.9229 -8.9156 -8.9106 -8.4725 -8.4725 -8.4595 -8.4538 -1.4273 -1.4273 -0.5945 -0.5945 0.7952 0.7952 2.3918 2.3918 2.7684 2.7721 2.8474 2.8475 3.0394 3.0394 3.1091 3.1161 4.4709 4.4709 5.8406 5.8406 5.9218 5.9238 6.0931 6.0931 6.1963 6.1983 6.4450 6.4450 6.7242 6.7242 6.7840 6.7937 7.0504 7.0504 7.4081 7.4081 7.4383 7.4464 7.8519 7.8519 12.2511 12.2511 12.7272 12.7272 14.4702 14.4702 14.5619 14.5619 14.6010 14.6177 k = 0.1944 0.1106 0.0777 ( 4063 PWs) bands (ev): -11.0650 -11.0650 -9.4336 -9.4336 -8.9283 -8.9283 -8.9210 -8.9164 -8.4629 -8.4629 -8.4498 -8.4444 -1.4160 -1.4160 -0.5497 -0.5497 0.7505 0.7505 2.3537 2.3537 2.7332 2.7367 2.8169 2.8169 3.0162 3.0162 3.0704 3.0771 4.3844 4.3844 5.8878 5.8878 5.9632 5.9655 6.1223 6.1223 6.2293 6.2312 6.4581 6.4581 6.7283 6.7283 6.7883 6.7977 7.0331 7.0331 7.4347 7.4347 7.4638 7.4713 7.8635 7.8635 12.2827 12.2827 12.7930 12.7930 14.5501 14.5501 14.6140 14.6304 14.6362 14.6362 k = 0.1806 0.1027 0.0722 ( 4078 PWs) bands (ev): -11.0856 -11.0856 -9.4049 -9.4049 -8.9333 -8.9333 -8.9261 -8.9217 -8.4539 -8.4539 -8.4406 -8.4356 -1.4044 -1.4044 -0.5057 -0.5057 0.7086 0.7086 2.3179 2.3179 2.7003 2.7035 2.7853 2.7853 2.9926 2.9926 3.0337 3.0400 4.3017 4.3017 5.9319 5.9319 6.0018 6.0043 6.1481 6.1481 6.2586 6.2604 6.4729 6.4729 6.7348 6.7348 6.7948 6.8039 7.0169 7.0169 7.4609 7.4609 7.4887 7.4958 7.8745 7.8745 12.3112 12.3112 12.8546 12.8546 14.6271 14.6271 14.6275 14.6435 14.7041 14.7041 k = 0.1667 0.0948 0.0666 ( 4081 PWs) bands (ev): -11.1047 -11.1047 -9.3779 -9.3779 -8.9379 -8.9379 -8.9307 -8.9267 -8.4454 -8.4454 -8.4320 -8.4273 -1.3926 -1.3926 -0.4627 -0.4627 0.6694 0.6694 2.2844 2.2844 2.6696 2.6725 2.7535 2.7535 2.9684 2.9684 2.9991 3.0050 4.2232 4.2232 5.9728 5.9728 6.0375 6.0402 6.1705 6.1706 6.2842 6.2859 6.4891 6.4891 6.7434 6.7434 6.8034 6.8121 7.0018 7.0018 7.4864 7.4864 7.5130 7.5196 7.8848 7.8848 12.3368 12.3368 12.9117 12.9117 14.6412 14.6568 14.6978 14.6978 14.7622 14.7622 k = 0.1528 0.0869 0.0611 ( 4087 PWs) bands (ev): -11.1224 -11.1224 -9.3528 -9.3528 -8.9421 -8.9421 -8.9350 -8.9312 -8.4375 -8.4375 -8.4239 -8.4195 -1.3808 -1.3808 -0.4211 -0.4211 0.6332 0.6332 2.2533 2.2533 2.6412 2.6439 2.7224 2.7224 2.9436 2.9436 2.9668 2.9723 4.1493 4.1493 6.0103 6.0103 6.0703 6.0731 6.1897 6.1897 6.3059 6.3076 6.5062 6.5062 6.7542 6.7542 6.8139 6.8222 6.9880 6.9880 7.5109 7.5109 7.5364 7.5425 7.8944 7.8944 12.3597 12.3597 12.9642 12.9642 14.6551 14.6701 14.7503 14.7503 14.8165 14.8165 k = 0.1389 0.0790 0.0555 ( 4099 PWs) bands (ev): -11.1386 -11.1386 -9.3296 -9.3296 -8.9459 -8.9459 -8.9389 -8.9354 -8.4301 -8.4301 -8.4164 -8.4124 -1.3692 -1.3692 -0.3813 -0.3813 0.5999 0.5999 2.2246 2.2246 2.6152 2.6176 2.6925 2.6925 2.9187 2.9187 2.9369 2.9420 4.0804 4.0804 6.0445 6.0445 6.1001 6.1030 6.2057 6.2057 6.3240 6.3256 6.5237 6.5237 6.7666 6.7666 6.8260 6.8337 6.9753 6.9753 7.5341 7.5341 7.5587 7.5642 7.9032 7.9032 12.3801 12.3801 13.0121 13.0121 14.6689 14.6832 14.7710 14.7710 14.8794 14.8794 k = 0.1250 0.0711 0.0500 ( 4081 PWs) bands (ev): -11.1533 -11.1533 -9.3083 -9.3083 -8.9494 -8.9494 -8.9423 -8.9392 -8.4234 -8.4234 -8.4095 -8.4059 -1.3578 -1.3578 -0.3434 -0.3434 0.5696 0.5696 2.1985 2.1985 2.5916 2.5937 2.6642 2.6642 2.8941 2.8941 2.9095 2.9142 4.0169 4.0169 6.0753 6.0753 6.1271 6.1299 6.2188 6.2188 6.3387 6.3403 6.5411 6.5411 6.7802 6.7802 6.8393 6.8464 6.9639 6.9639 7.5560 7.5560 7.5797 7.5846 7.9112 7.9112 12.3982 12.3982 13.0553 13.0553 14.6824 14.6958 14.7679 14.7679 14.9466 14.9466 k = 0.1111 0.0632 0.0444 ( 4081 PWs) bands (ev): -11.1665 -11.1665 -9.2891 -9.2891 -8.9525 -8.9525 -8.9454 -8.9427 -8.4173 -8.4173 -8.4032 -8.4000 -1.3472 -1.3472 -0.3081 -0.3081 0.5423 0.5423 2.1750 2.1750 2.5704 2.5723 2.6377 2.6377 2.8703 2.8703 2.8848 2.8890 3.9591 3.9591 6.1028 6.1028 6.1511 6.1539 6.2292 6.2292 6.3504 6.3519 6.5581 6.5581 6.7945 6.7945 6.8532 6.8596 6.9536 6.9536 7.5762 7.5762 7.5991 7.6035 7.9184 7.9184 12.4140 12.4140 13.0938 13.0938 14.6954 14.7078 14.7523 14.7523 15.0126 15.0126 k = 0.0972 0.0553 0.0389 ( 4081 PWs) bands (ev): -11.1781 -11.1781 -9.2720 -9.2720 -8.9552 -8.9552 -8.9481 -8.9457 -8.4118 -8.4118 -8.3976 -8.3948 -1.3372 -1.3372 -0.2757 -0.2757 0.5182 0.5182 2.1541 2.1541 2.5517 2.5534 2.6135 2.6135 2.8479 2.8479 2.8627 2.8665 3.9073 3.9073 6.1272 6.1272 6.1724 6.1750 6.2371 6.2371 6.3594 6.3609 6.5742 6.5742 6.8089 6.8089 6.8671 6.8727 6.9446 6.9446 7.5945 7.5945 7.6167 7.6206 7.9247 7.9247 12.4278 12.4278 13.1277 13.1277 14.7076 14.7189 14.7308 14.7308 15.0750 15.0750 k = 0.0833 0.0474 0.0333 ( 4093 PWs) bands (ev): -11.1883 -11.1883 -9.2571 -9.2571 -8.9576 -8.9576 -8.9505 -8.9484 -8.4071 -8.4071 -8.3927 -8.3902 -1.3282 -1.3282 -0.2466 -0.2466 0.4971 0.4971 2.1359 2.1359 2.5355 2.5369 2.5918 2.5918 2.8274 2.8274 2.8435 2.8468 3.8618 3.8618 6.1485 6.1485 6.1908 6.1932 6.2428 6.2428 6.3662 6.3676 6.5891 6.5891 6.8226 6.8226 6.8804 6.8853 6.9367 6.9367 7.6108 7.6108 7.6325 7.6357 7.9301 7.9301 12.4396 12.4396 13.1569 13.1569 14.7077 14.7077 14.7189 14.7290 15.1323 15.1323 k = 0.0694 0.0395 0.0278 ( 4093 PWs) bands (ev): -11.1969 -11.1969 -9.2444 -9.2444 -8.9595 -8.9595 -8.9524 -8.9507 -8.4031 -8.4031 -8.3885 -8.3864 -1.3203 -1.3203 -0.2212 -0.2212 0.4793 0.4793 2.1204 2.1204 2.5217 2.5229 2.5728 2.5728 2.8092 2.8092 2.8272 2.8300 3.8228 3.8228 6.1669 6.1669 6.2066 6.2087 6.2465 6.2465 6.3712 6.3725 6.6023 6.6024 6.8353 6.8353 6.8927 6.8968 6.9301 6.9301 7.6249 7.6249 7.6461 7.6488 7.9347 7.9347 12.4494 12.4494 13.1816 13.1816 14.6856 14.6856 14.7291 14.7377 15.1833 15.1833 k = 0.0556 0.0316 0.0222 ( 4099 PWs) bands (ev): -11.2039 -11.2039 -9.2340 -9.2340 -8.9612 -8.9612 -8.9540 -8.9526 -8.3997 -8.3997 -8.3849 -8.3833 -1.3136 -1.3136 -0.1998 -0.1998 0.4647 0.4647 2.1076 2.1076 2.5105 2.5114 2.5568 2.5568 2.7939 2.7939 2.8138 2.8161 3.7906 3.7906 6.1825 6.1825 6.2195 6.2214 6.2485 6.2485 6.3747 6.3758 6.6137 6.6137 6.8464 6.8464 6.9035 6.9068 6.9247 6.9247 7.6366 7.6366 7.6575 7.6597 7.9385 7.9385 12.4574 12.4574 13.2017 13.2017 14.6660 14.6660 14.7379 14.7450 15.2268 15.2268 k = 0.0417 0.0237 0.0167 ( 4105 PWs) bands (ev): -11.2094 -11.2094 -9.2258 -9.2258 -8.9624 -8.9624 -8.9551 -8.9541 -8.3971 -8.3971 -8.3821 -8.3809 -1.3083 -1.3083 -0.1828 -0.1828 0.4533 0.4533 2.0977 2.0977 2.5018 2.5025 2.5441 2.5441 2.7816 2.7816 2.8034 2.8051 3.7654 3.7654 6.1953 6.1953 6.2298 6.2312 6.2490 6.2490 6.3771 6.3780 6.6229 6.6229 6.8554 6.8554 6.9124 6.9149 6.9205 6.9205 7.6458 7.6458 7.6666 7.6682 7.9414 7.9414 12.4636 12.4636 13.2173 13.2173 14.6500 14.6500 14.7452 14.7506 15.2619 15.2619 k = 0.0278 0.0158 0.0111 ( 4093 PWs) bands (ev): -11.2133 -11.2133 -9.2199 -9.2199 -8.9633 -8.9633 -8.9559 -8.9552 -8.3952 -8.3952 -8.3801 -8.3792 -1.3043 -1.3043 -0.1704 -0.1704 0.4451 0.4451 2.0905 2.0905 2.4956 2.4960 2.5349 2.5349 2.7726 2.7726 2.7961 2.7972 3.7472 3.7472 6.2052 6.2052 6.2372 6.2382 6.2485 6.2485 6.3786 6.3793 6.6296 6.6296 6.8621 6.8621 6.9175 6.9175 6.9191 6.9207 7.6525 7.6525 7.6732 7.6743 7.9435 7.9435 12.4680 12.4680 13.2285 13.2285 14.6382 14.6382 14.7508 14.7544 15.2877 15.2877 k = 0.0139 0.0079 0.0056 ( 4099 PWs) bands (ev): -11.2157 -11.2157 -9.2164 -9.2164 -8.9638 -8.9638 -8.9563 -8.9560 -8.3941 -8.3941 -8.3787 -8.3783 -1.3020 -1.3020 -0.1629 -0.1629 0.4402 0.4402 2.0863 2.0863 2.4919 2.4921 2.5292 2.5292 2.7672 2.7672 2.7917 2.7923 3.7363 3.7363 6.2116 6.2116 6.2418 6.2423 6.2476 6.2476 6.3795 6.3798 6.6337 6.6337 6.8661 6.8661 6.9158 6.9158 6.9233 6.9242 7.6565 7.6565 7.6773 7.6778 7.9447 7.9447 12.4706 12.4706 13.2351 13.2351 14.6309 14.6309 14.7546 14.7564 15.3035 15.3035 k = 0.0000 0.0000 0.0000 ( 4093 PWs) bands (ev): -11.2165 -11.2165 -9.2153 -9.2153 -8.9640 -8.9640 -8.9563 -8.9563 -8.3937 -8.3937 -8.3781 -8.3781 -1.3011 -1.3011 -0.1604 -0.1604 0.4386 0.4386 2.0848 2.0848 2.4907 2.4907 2.5273 2.5273 2.7653 2.7653 2.7905 2.7905 3.7327 3.7327 6.2139 6.2139 6.2435 6.2435 6.2472 6.2472 6.3799 6.3799 6.6351 6.6351 6.8675 6.8675 6.9152 6.9152 6.9250 6.9250 7.6579 7.6579 7.6789 7.6789 7.9451 7.9451 12.4715 12.4715 13.2374 13.2374 14.6285 14.6285 14.7564 14.7564 15.3068 15.3068 k = 0.0000 0.0000 0.0000 ( 4093 PWs) bands (ev): -11.2165 -11.2165 -9.2153 -9.2153 -8.9640 -8.9640 -8.9563 -8.9563 -8.3937 -8.3937 -8.3781 -8.3781 -1.3011 -1.3011 -0.1604 -0.1604 0.4386 0.4386 2.0848 2.0848 2.4907 2.4907 2.5273 2.5273 2.7653 2.7653 2.7905 2.7905 3.7327 3.7327 6.2139 6.2139 6.2435 6.2435 6.2472 6.2472 6.3799 6.3799 6.6351 6.6351 6.8675 6.8675 6.9152 6.9152 6.9250 6.9250 7.6579 7.6579 7.6789 7.6789 7.9451 7.9451 12.4715 12.4715 13.2374 13.2374 14.6285 14.6285 14.7564 14.7564 15.3068 15.3068 k = 0.0085-0.0051-0.0141 ( 4095 PWs) bands (ev): -11.2160 -11.2152 -9.2168 -9.2144 -8.9650 -8.9636 -8.9566 -8.9565 -8.3947 -8.3936 -8.3786 -8.3786 -1.3022 -1.3010 -0.1625 -0.1617 0.4400 0.4403 2.0713 2.1006 2.4900 2.4915 2.5017 2.5543 2.7289 2.7743 2.8004 2.8166 3.7180 3.7570 6.2070 6.2173 6.2420 6.2422 6.2454 6.2465 6.3786 6.3787 6.6239 6.6433 6.8563 6.8776 6.9133 6.9141 6.9259 6.9263 7.6557 7.6581 7.6780 7.6780 7.9445 7.9449 12.4653 12.4745 13.2211 13.2496 14.6264 14.6307 14.7558 14.7559 15.2726 15.2931 k = 0.0170-0.0101-0.0281 ( 4097 PWs) bands (ev): -11.2139 -11.2123 -9.2189 -9.2141 -8.9668 -8.9637 -8.9576 -8.9569 -8.3966 -8.3944 -8.3798 -8.3797 -1.3043 -1.3019 -0.1681 -0.1666 0.4446 0.4452 2.0600 2.1186 2.4704 2.4942 2.4979 2.5794 2.6934 2.7709 2.8196 2.8616 3.7135 3.7905 6.1963 6.2171 6.2362 6.2378 6.2427 6.2439 6.3743 6.3755 6.6106 6.6480 6.8453 6.8851 6.9085 6.9109 6.9277 6.9305 7.6516 7.6566 7.6753 7.6757 7.9431 7.9439 12.4559 12.4741 13.2011 13.2577 14.6240 14.6314 14.7548 14.7553 15.2334 15.2744 k = 0.0255-0.0152-0.0422 ( 4101 PWs) bands (ev): -11.2102 -11.2078 -9.2218 -9.2145 -8.9695 -8.9642 -8.9592 -8.9573 -8.3996 -8.3962 -8.3818 -8.3815 -1.3073 -1.3038 -0.1771 -0.1748 0.4522 0.4531 2.0512 2.1386 2.4456 2.4985 2.5032 2.6011 2.6626 2.7693 2.8465 2.9102 3.7194 3.8326 6.1814 6.2130 6.2259 6.2300 6.2391 6.2401 6.3668 6.3708 6.5954 6.6483 6.8356 6.8886 6.9013 6.9065 6.9301 6.9377 7.6450 7.6532 7.6709 7.6722 7.9408 7.9422 12.4435 12.4703 13.1774 13.2615 14.6199 14.6277 14.7551 14.7575 15.1908 15.2513 k = 0.0340-0.0202-0.0562 ( 4105 PWs) bands (ev): -11.2047 -11.2016 -9.2255 -9.2158 -8.9731 -8.9654 -8.9612 -8.9574 -8.4039 -8.3993 -8.3841 -8.3836 -1.3111 -1.3066 -0.1894 -0.1865 0.4630 0.4642 2.0447 2.1604 2.4235 2.5039 2.5110 2.6160 2.6411 2.7695 2.8807 2.9612 3.7356 3.8826 6.1621 6.2039 6.2116 6.2199 6.2344 6.2352 6.3557 6.3650 6.5786 6.6434 6.8279 6.8874 6.8931 6.9010 6.9331 6.9476 7.6358 7.6472 7.6654 7.6680 7.9376 7.9396 12.4283 12.4628 13.1501 13.2607 14.6118 14.6162 14.7595 14.7660 15.1452 15.2238 k = 0.0425-0.0253-0.0703 ( 4097 PWs) bands (ev): -11.1976 -11.1937 -9.2302 -9.2180 -8.9775 -8.9678 -8.9627 -8.9573 -8.4097 -8.4039 -8.3867 -8.3860 -1.3157 -1.3103 -0.2047 -0.2015 0.4770 0.4783 2.0408 2.1836 2.4052 2.5089 2.5207 2.6102 2.6454 2.7712 2.9213 3.0139 3.7620 3.9399 6.1380 6.1887 6.1935 6.2086 6.2284 6.2291 6.3412 6.3585 6.5606 6.6332 6.8225 6.8790 6.8872 6.8955 6.9366 6.9592 7.6238 7.6383 7.6594 7.6631 7.9333 7.9362 12.4103 12.4516 13.1194 13.2551 14.5940 14.5995 14.7698 14.7826 15.0972 15.1921 k = 0.0509-0.0303-0.0843 ( 4091 PWs) bands (ev): -11.1889 -11.1842 -9.2361 -9.2213 -8.9826 -8.9716 -8.9634 -8.9569 -8.4169 -8.4101 -8.3892 -8.3884 -1.3210 -1.3149 -0.2231 -0.2195 0.4940 0.4955 2.0395 2.2073 2.3921 2.5110 2.5322 2.6024 2.6603 2.7744 2.9669 3.0679 3.7981 4.0039 6.1090 6.1677 6.1715 6.1957 6.2212 6.2220 6.3232 6.3514 6.5414 6.6180 6.8187 6.8669 6.8808 6.8912 6.9407 6.9717 7.6091 7.6262 7.6529 7.6577 7.9280 7.9319 12.3896 12.4366 13.0854 13.2447 14.5644 14.5799 14.7862 14.8067 15.0480 15.1563 k = 0.0594-0.0354-0.0984 ( 4097 PWs) bands (ev): -11.1785 -11.1730 -9.2433 -9.2260 -8.9882 -8.9764 -8.9633 -8.9561 -8.4256 -8.4179 -8.3918 -8.3911 -1.3271 -1.3203 -0.2443 -0.2405 0.5141 0.5157 2.0408 2.2303 2.3856 2.5083 2.5453 2.6053 2.6765 2.7793 3.0164 3.1228 3.8435 4.0741 6.0750 6.1417 6.1458 6.1803 6.2127 6.2138 6.3023 6.3437 6.5212 6.5987 6.8156 6.8535 6.8733 6.8877 6.9456 6.9847 7.5917 7.6113 7.6459 7.6515 7.9216 7.9267 12.3663 12.4177 13.0482 13.2293 14.5278 14.5551 14.8066 14.8364 15.0001 15.1168 k = 0.0679-0.0404-0.1124 ( 4101 PWs) bands (ev): -11.1665 -11.1602 -9.2520 -9.2324 -8.9940 -8.9819 -8.9627 -8.9547 -8.4357 -8.4272 -8.3945 -8.3938 -1.3337 -1.3264 -0.2681 -0.2642 0.5373 0.5389 2.0448 2.2506 2.3878 2.5020 2.5598 2.6186 2.6937 2.7862 3.0686 3.1780 3.8974 4.1497 6.0360 6.1112 6.1162 6.1616 6.2031 6.2044 6.2791 6.3354 6.5002 6.5763 6.8118 6.8393 6.8663 6.8844 6.9513 6.9978 7.5719 7.5937 7.6382 7.6447 7.9139 7.9205 12.3406 12.3948 13.0079 13.2087 14.4860 14.5259 14.8239 14.8690 14.9620 15.0740 k = 0.0764-0.0455-0.1265 ( 4105 PWs) bands (ev): -11.1529 -11.1458 -9.2624 -9.2406 -9.0000 -8.9881 -8.9613 -8.9527 -8.4470 -8.4378 -8.3974 -8.3968 -1.3409 -1.3332 -0.2943 -0.2905 0.5635 0.5651 2.0516 2.2665 2.4006 2.4951 2.5759 2.6396 2.7121 2.7952 3.1224 3.2330 3.9591 4.2304 5.9921 6.0764 6.0829 6.1391 6.1923 6.1939 6.2545 6.3265 6.4785 6.5518 6.8059 6.8247 6.8607 6.8815 6.9579 7.0111 7.5500 7.5739 7.6297 7.6370 7.9050 7.9132 12.3126 12.3680 12.9645 13.1831 14.4404 14.4930 14.8171 14.9004 14.9566 15.0289 k = 0.0849-0.0505-0.1405 ( 4103 PWs) bands (ev): -11.1378 -11.1299 -9.2745 -9.2508 -9.0061 -8.9947 -8.9591 -8.9498 -8.4597 -8.4497 -8.4006 -8.4000 -1.3483 -1.3405 -0.3227 -0.3191 0.5926 0.5942 2.0613 2.2780 2.4237 2.4896 2.5934 2.6663 2.7321 2.8066 3.1771 3.2873 4.0279 4.3156 5.9438 6.0375 6.0460 6.1124 6.1804 6.1823 6.2296 6.3166 6.4563 6.5261 6.7973 6.8098 6.8569 6.8789 6.9657 7.0243 7.5261 7.5520 7.6204 7.6284 7.8948 7.9048 12.2823 12.3374 12.9182 13.1523 14.3921 14.4568 14.7779 14.9271 14.9838 14.9926 k = 0.0934-0.0556-0.1546 ( 4103 PWs) bands (ev): -11.1210 -11.1123 -9.2885 -9.2631 -9.0123 -9.0017 -8.9560 -8.9459 -8.4734 -8.4628 -8.4040 -8.4035 -1.3560 -1.3482 -0.3530 -0.3496 0.6246 0.6260 2.0738 2.2869 2.4550 2.4863 2.6124 2.6976 2.7538 2.8208 3.2319 3.3404 4.1029 4.4048 5.8914 5.9944 6.0057 6.0813 6.1673 6.1696 6.2053 6.3056 6.4338 6.4999 6.7861 6.7949 6.8545 6.8767 6.9745 7.0375 7.5004 7.5282 7.6102 7.6190 7.8833 7.8953 12.2500 12.3028 12.8691 13.1166 14.3421 14.4179 14.7247 14.9090 14.9941 15.0354 k = 0.1019-0.0606-0.1686 ( 4103 PWs) bands (ev): -11.1026 -11.0932 -9.3044 -9.2776 -9.0186 -9.0092 -8.9517 -8.9408 -8.4883 -8.4770 -8.4078 -8.4072 -1.3639 -1.3562 -0.3850 -0.3820 0.6595 0.6606 2.0891 2.2954 2.4855 2.4922 2.6333 2.7328 2.7773 2.8377 3.2861 3.3919 4.1836 4.4975 5.8354 5.9472 5.9622 6.0460 6.1528 6.1558 6.1820 6.2932 6.4112 6.4740 6.7727 6.7803 6.8528 6.8751 6.9843 7.0505 7.4732 7.5029 7.5990 7.6087 7.8705 7.8847 12.2156 12.2647 12.8175 13.0761 14.2909 14.3766 14.6666 14.8577 15.0349 15.0881 k = 0.1104-0.0657-0.1827 ( 4101 PWs) bands (ev): -11.0828 -11.0725 -9.3222 -9.2943 -9.0250 -9.0169 -8.9464 -8.9347 -8.5042 -8.4923 -8.4118 -8.4113 -1.3718 -1.3642 -0.4186 -0.4160 0.6970 0.6979 2.1074 2.3050 2.4877 2.5330 2.6564 2.7715 2.8027 2.8574 3.3392 3.4412 4.2690 4.5930 5.7763 5.8963 5.9159 6.0072 6.1368 6.1410 6.1600 6.2791 6.3889 6.4487 6.7577 6.7656 6.8514 6.8741 6.9951 7.0632 7.4446 7.4761 7.5868 7.5975 7.8565 7.8732 12.1792 12.2231 12.7634 13.0312 14.2391 14.3331 14.6064 14.8001 15.0814 15.1431 k = 0.1189-0.0707-0.1967 ( 4101 PWs) bands (ev): -11.0614 -11.0504 -9.3418 -9.3131 -9.0316 -9.0251 -8.9398 -8.9273 -8.5211 -8.5085 -8.4162 -8.4156 -1.3795 -1.3723 -0.4535 -0.4512 0.7372 0.7377 2.1285 2.3162 2.4925 2.5761 2.6824 2.8132 2.8300 2.8799 3.3907 3.4878 4.3584 4.6909 5.7148 5.8419 5.8669 5.9656 6.1193 6.1252 6.1394 6.2631 6.3670 6.4247 6.7419 6.7506 6.8502 6.8736 7.0066 7.0756 7.4149 7.4481 7.5737 7.5853 7.8415 7.8607 12.1410 12.1786 12.7070 12.9821 14.1869 14.2878 14.5452 14.7393 15.1282 15.1548 k = 0.1274-0.0758-0.2108 ( 4091 PWs) bands (ev): -11.0385 -11.0267 -9.3631 -9.3338 -9.0385 -9.0335 -8.9320 -8.9188 -8.5388 -8.5256 -8.4209 -8.4203 -1.3870 -1.3802 -0.4895 -0.4874 0.7798 0.7800 2.1525 2.3293 2.4999 2.6197 2.7125 2.8548 2.8618 2.9052 3.4401 3.5315 4.4510 4.7904 5.6516 5.7844 5.8156 5.9221 6.1004 6.1086 6.1198 6.2451 6.3457 6.4022 6.7256 6.7353 6.8493 6.8736 7.0188 7.0874 7.3842 7.4189 7.5595 7.5722 7.8256 7.8476 12.1007 12.1316 12.6487 12.9294 14.1346 14.2411 14.4838 14.6761 15.1337 15.1737 k = 0.1359-0.0808-0.2248 ( 4091 PWs) bands (ev): -11.0142 -11.0016 -9.3860 -9.3563 -9.0457 -9.0423 -8.9229 -8.9093 -8.5574 -8.5436 -8.4259 -8.4254 -1.3942 -1.3879 -0.5264 -0.5245 0.8244 0.8250 2.1793 2.3446 2.5095 2.6619 2.7482 2.8872 2.9060 2.9339 3.4870 3.5718 4.5460 4.8906 5.5871 5.7243 5.7624 5.8776 6.0805 6.0911 6.1007 6.2253 6.3251 6.3817 6.7089 6.7197 6.8486 6.8740 7.0313 7.0985 7.3526 7.3887 7.5443 7.5581 7.8091 7.8340 12.0579 12.0834 12.5888 12.8736 14.0818 14.1934 14.4226 14.6110 15.1133 15.2103 k = 0.1443-0.0859-0.2389 ( 4093 PWs) bands (ev): -10.9884 -10.9751 -9.4103 -9.3804 -9.0533 -9.0513 -8.9128 -8.8986 -8.5767 -8.5623 -8.4313 -8.4308 -1.4008 -1.3951 -0.5642 -0.5623 0.8712 0.8724 2.2088 2.3618 2.5213 2.7013 2.7910 2.9186 2.9492 2.9702 3.5312 3.6086 4.6422 4.9906 5.5220 5.6620 5.7080 5.8329 6.0601 6.0728 6.0818 6.2039 6.3050 6.3631 6.6919 6.7040 6.8484 6.8749 7.0438 7.1086 7.3202 7.3576 7.5280 7.5431 7.7922 7.8202 12.0113 12.0358 12.5274 12.8150 14.0284 14.1452 14.3619 14.5444 15.0928 15.2340 k = 0.1528-0.0909-0.2529 ( 4097 PWs) bands (ev): -10.9613 -10.9472 -9.4360 -9.4060 -9.0613 -9.0604 -8.9015 -8.8870 -8.5966 -8.5817 -8.4371 -8.4366 -1.4069 -1.4017 -0.6025 -0.6004 0.9200 0.9219 2.2409 2.3808 2.5348 2.7379 2.8404 2.9508 2.9844 3.0187 3.5726 3.6416 4.7386 5.0886 5.4569 5.5982 5.6531 5.7891 6.0398 6.0539 6.0627 6.1814 6.2855 6.3464 6.6747 6.6882 6.8489 6.8761 7.0562 7.1173 7.2873 7.3256 7.5106 7.5270 7.7753 7.8065 11.9604 11.9901 12.4650 12.7545 13.9738 14.0972 14.3023 14.4765 15.0722 15.2407 k = 0.1613-0.0960-0.2670 ( 4097 PWs) bands (ev): -10.9328 -10.9179 -9.4628 -9.4329 -9.0704 -9.0692 -8.8892 -8.8745 -8.6171 -8.6017 -8.4431 -8.4427 -1.4121 -1.4076 -0.6412 -0.6389 0.9708 0.9735 2.2756 2.4013 2.5497 2.7731 2.8951 2.9834 3.0170 3.0731 3.6110 3.6711 4.8333 5.1821 5.3923 5.5336 5.5993 5.7479 6.0198 6.0346 6.0436 6.1584 6.2667 6.3313 6.6574 6.6725 6.8500 6.8779 7.0678 7.1244 7.2539 7.2928 7.4921 7.5100 7.7588 7.7933 11.9064 11.9459 12.4019 12.6924 13.9176 14.0502 14.2438 14.4078 15.0512 15.2313 k = 0.1698-0.1010-0.2810 ( 4101 PWs) bands (ev): -10.9030 -10.8873 -9.4906 -9.4608 -9.0802 -9.0779 -8.8761 -8.8612 -8.6381 -8.6222 -8.4496 -8.4492 -1.4166 -1.4126 -0.6802 -0.6776 1.0234 1.0269 2.3126 2.4230 2.5657 2.8082 2.9534 3.0161 3.0495 3.1303 3.6467 3.6971 4.9236 5.2651 5.3291 5.4702 5.5489 5.7118 6.0004 6.0150 6.0244 6.1356 6.2488 6.3175 6.6401 6.6573 6.8520 6.8801 7.0785 7.1293 7.2205 7.2593 7.4724 7.4918 7.7430 7.7808 11.8509 11.9026 12.3384 12.6293 13.8592 14.0048 14.1867 14.3385 15.0294 15.2092 k = 0.1783-0.1061-0.2951 ( 4107 PWs) bands (ev): -10.8719 -10.8554 -9.5193 -9.4896 -9.0903 -9.0868 -8.8621 -8.8472 -8.6594 -8.6432 -8.4565 -8.4560 -1.4200 -1.4167 -0.7192 -0.7163 1.0777 1.0822 2.3519 2.4456 2.5823 2.8439 3.0140 3.0485 3.0823 3.1894 3.6799 3.7203 5.0050 5.2637 5.3243 5.4181 5.5069 5.6858 5.9820 5.9956 6.0056 6.1138 6.2322 6.3047 6.6228 6.6428 6.8547 6.8826 7.0877 7.1309 7.1879 7.2255 7.4515 7.4725 7.7284 7.7693 11.7950 11.8601 12.2748 12.5659 13.7985 13.9614 14.1313 14.2690 15.0063 15.1789 k = 0.1868-0.1111-0.3091 ( 4103 PWs) bands (ev): -10.8395 -10.8223 -9.5487 -9.5193 -9.1006 -9.0961 -8.8475 -8.8326 -8.6809 -8.6644 -8.4639 -8.4632 -1.4225 -1.4197 -0.7582 -0.7550 1.1337 1.1390 2.3932 2.4687 2.5990 2.8807 3.0744 3.0802 3.1165 3.2498 3.7110 3.7413 5.0692 5.2026 5.3054 5.4128 5.4823 5.6786 5.9644 5.9776 5.9875 6.0940 6.2172 6.2929 6.6056 6.6294 6.8581 6.8854 7.0946 7.1255 7.1596 7.1925 7.4293 7.4519 7.7154 7.7590 11.7398 11.8184 12.2114 12.5026 13.7358 13.9202 14.0775 14.1997 14.9815 15.1446 k = 0.1953-0.1162-0.3232 ( 4107 PWs) bands (ev): -10.8059 -10.7880 -9.5787 -9.5496 -9.1111 -9.1057 -8.8324 -8.8177 -8.7024 -8.6858 -8.4716 -8.4707 -1.4238 -1.4216 -0.7971 -0.7936 1.1911 1.1974 2.4363 2.4919 2.6154 2.9190 3.1094 3.1285 3.1590 3.3109 3.7398 3.7618 5.1038 5.1423 5.2460 5.4183 5.4798 5.6950 5.9461 5.9636 5.9711 6.0780 6.2046 6.2822 6.5887 6.6179 6.8617 6.8880 7.0960 7.1076 7.1409 7.1644 7.4059 7.4300 7.7042 7.7500 11.6860 11.7778 12.1486 12.4398 13.6713 13.8811 14.0255 14.1312 14.9542 15.1061 k = 0.2038-0.1212-0.3372 ( 4109 PWs) bands (ev): -10.7712 -10.7525 -9.6091 -9.5804 -9.1218 -9.1156 -8.8170 -8.8031 -8.7233 -8.7070 -8.4798 -8.4787 -1.4239 -1.4222 -0.8358 -0.8321 1.2499 1.2573 2.4804 2.5148 2.6310 2.9587 3.1371 3.1657 3.2177 3.3720 3.7653 3.7849 5.0796 5.1052 5.1825 5.4117 5.4982 5.7230 5.9266 5.9522 5.9596 6.0684 6.1956 6.2728 6.5722 6.6092 6.8649 6.8896 7.0743 7.0954 7.1241 7.1498 7.3811 7.4066 7.6951 7.7422 11.6344 11.7386 12.0866 12.3780 13.6057 13.8439 13.9752 14.0639 14.9239 15.0628 k = 0.2123-0.1263-0.3513 ( 4107 PWs) bands (ev): -10.7355 -10.7159 -9.6399 -9.6115 -9.1326 -9.1257 -8.8023 -8.7908 -8.7415 -8.7273 -8.4884 -8.4870 -1.4228 -1.4216 -0.8741 -0.8702 1.3100 1.3185 2.5227 2.5390 2.6457 3.0000 3.1622 3.1965 3.2824 3.4326 3.7867 3.8130 5.0201 5.0724 5.1234 5.3906 5.5376 5.7449 5.9067 5.9400 5.9548 6.0678 6.1927 6.2659 6.5563 6.6046 6.8660 6.8887 7.0466 7.0738 7.1173 7.1426 7.3550 7.3819 7.6879 7.7352 11.5858 11.7013 12.0257 12.3175 13.5397 13.8082 13.9267 13.9985 14.8906 15.0159 k = 0.2208-0.1313-0.3653 ( 4105 PWs) bands (ev): -10.6986 -10.6784 -9.6709 -9.6429 -9.1436 -9.1360 -8.7919 -8.7882 -8.7488 -8.7437 -8.4974 -8.4957 -1.4204 -1.4196 -0.9121 -0.9081 1.3713 1.3808 2.5505 2.5747 2.6604 3.0428 3.1849 3.2250 3.3481 3.4919 3.8068 3.8453 4.9598 5.0188 5.0736 5.3619 5.5829 5.7535 5.8871 5.9289 5.9512 6.0737 6.1983 6.2633 6.5411 6.6059 6.8627 6.8829 7.0232 7.0500 7.1152 7.1365 7.3276 7.3557 7.6825 7.7288 11.5408 11.6659 11.9663 12.2585 13.4741 13.7734 13.8797 13.9360 14.8543 14.9664 k = 0.2293-0.1364-0.3794 ( 4109 PWs) bands (ev): -10.6608 -10.6398 -9.7020 -9.6745 -9.1547 -9.1465 -8.8042 -8.7916 -8.7478 -8.7391 -8.5069 -8.5049 -1.4167 -1.4163 -0.9498 -0.9456 1.4337 1.4443 2.5679 2.6115 2.6796 3.0870 3.2053 3.2520 3.4133 3.5491 3.8282 3.8806 4.8992 4.9559 5.0299 5.3305 5.6218 5.7508 5.8684 5.9182 5.9477 6.0782 6.2116 6.2678 6.5267 6.6155 6.8523 6.8689 7.0083 7.0333 7.1130 7.1302 7.2991 7.3281 7.6785 7.7223 11.5001 11.6329 11.9087 12.2010 13.4094 13.7390 13.8340 13.8777 14.8157 14.9153 k = 0.2377-0.1414-0.3934 ( 4105 PWs) bands (ev): -10.6221 -10.6003 -9.7331 -9.7060 -9.1659 -9.1572 -8.8242 -8.8073 -8.7364 -8.7239 -8.5168 -8.5144 -1.4117 -1.4115 -0.9870 -0.9827 1.4971 1.5089 2.5809 2.6329 2.7124 3.1326 3.2242 3.2783 3.4770 3.6035 3.8518 3.9188 4.8388 4.8912 4.9893 5.2983 5.6487 5.7414 5.8510 5.9070 5.9451 6.0775 6.2267 6.2798 6.5133 6.6349 6.8338 6.8468 7.0036 7.0266 7.1102 7.1242 7.2694 7.2993 7.6754 7.7153 11.4643 11.6021 11.8534 12.1452 13.3467 13.7039 13.7889 13.8256 14.7753 14.8632 k = 0.2462-0.1465-0.4075 ( 4105 PWs) bands (ev): -10.5824 -10.5600 -9.7640 -9.7375 -9.1771 -9.1680 -8.8458 -8.8275 -8.7203 -8.7069 -8.5272 -8.5244 -1.4056 -1.4051 -1.0238 -1.0193 1.5614 1.5743 2.5893 2.6383 2.7579 3.1792 3.2425 3.3042 3.5381 3.6545 3.8783 3.9591 4.7794 4.8277 4.9514 5.2663 5.6627 5.7286 5.8355 5.8954 5.9416 6.0719 6.2416 6.2933 6.5003 6.6620 6.8081 6.8237 7.0078 7.0282 7.1072 7.1190 7.2390 7.2694 7.6726 7.7072 11.4339 11.5734 11.8010 12.0908 13.2867 13.6671 13.7445 13.7811 14.7335 14.8105 k = 0.2547-0.1515-0.4215 ( 4105 PWs) bands (ev): -10.5420 -10.5188 -9.7948 -9.7688 -9.1883 -9.1789 -8.8677 -8.8487 -8.7027 -8.6893 -8.5379 -8.5347 -1.3981 -1.3974 -1.0601 -1.0555 1.6265 1.6407 2.5927 2.6342 2.8092 3.2260 3.2617 3.3304 3.5957 3.7020 3.9074 4.0004 4.7221 4.7672 4.9164 5.2348 5.6660 5.7149 5.8220 5.8842 5.9349 6.0622 6.2565 6.3022 6.4867 6.6829 6.7879 6.8062 7.0181 7.0352 7.1048 7.1158 7.2082 7.2388 7.6693 7.6974 11.4092 11.5460 11.7526 12.0376 13.2302 13.6279 13.7026 13.7437 14.6909 14.7577 k = 0.2632-0.1566-0.4356 ( 4115 PWs) bands (ev): -10.5009 -10.4770 -9.8253 -9.7999 -9.1995 -9.1899 -8.8897 -8.8702 -8.6847 -8.6715 -8.5489 -8.5453 -1.3893 -1.3884 -1.0959 -1.0913 1.6924 1.7078 2.5907 2.6233 2.8630 3.2687 3.2866 3.3576 3.6487 3.7455 3.9383 4.0407 4.6681 4.7115 4.8840 5.2039 5.6615 5.7020 5.8108 5.8741 5.9245 6.0489 6.2689 6.3051 6.4700 6.6692 6.7939 6.8038 7.0319 7.0453 7.1037 7.1157 7.1786 7.2083 7.6649 7.6856 11.3904 11.5186 11.7097 11.9853 13.1782 13.5871 13.6642 13.7120 14.6478 14.7052 k = 0.2717-0.1617-0.4496 ( 4111 PWs) bands (ev): -10.4591 -10.4345 -9.8553 -9.8305 -9.2107 -9.2009 -8.9114 -8.8917 -8.6665 -8.6538 -8.5602 -8.5562 -1.3792 -1.3781 -1.1311 -1.1265 1.7591 1.7756 2.5832 2.6070 2.9181 3.2962 3.3287 3.3863 3.6964 3.7853 3.9693 4.0776 4.6187 4.6633 4.8541 5.1738 5.6520 5.6911 5.8017 5.8655 5.9108 6.0330 6.2760 6.3029 6.4477 6.6282 6.7959 6.8367 7.0473 7.0571 7.1024 7.1183 7.1546 7.1810 7.6585 7.6719 11.3777 11.4894 11.6743 11.9332 13.1314 13.5464 13.6294 13.6848 14.6045 14.6532 k = 0.2802-0.1667-0.4637 ( 4107 PWs) bands (ev): -10.4167 -10.3914 -9.8849 -9.8608 -9.2218 -9.2119 -8.9329 -8.9129 -8.6485 -8.6370 -8.5712 -8.5670 -1.3678 -1.3665 -1.1658 -1.1612 1.8263 1.8440 2.5704 2.5862 2.9738 3.3201 3.3756 3.4172 3.7381 3.8212 3.9979 4.1085 4.5751 4.6254 4.8266 5.1444 5.6401 5.6826 5.7944 5.8585 5.8955 6.0153 6.2770 6.2974 6.4181 6.5778 6.8040 6.8691 7.0598 7.0694 7.0953 7.1166 7.1468 7.1698 7.6480 7.6576 11.3707 11.4565 11.6482 11.8811 13.0908 13.5077 13.5976 13.6614 14.5614 14.6020 k = 0.2887-0.1718-0.4777 ( 4103 PWs) bands (ev): -10.3739 -10.3478 -9.9139 -9.8905 -9.2328 -9.2228 -8.9540 -8.9337 -8.6318 -8.6228 -8.5809 -8.5762 -1.3553 -1.3538 -1.1999 -1.1954 1.8941 1.9129 2.5528 2.5616 3.0294 3.3454 3.4208 3.4516 3.7734 3.8529 4.0212 4.1314 4.5392 4.6002 4.8012 5.1156 5.6278 5.6769 5.7885 5.8524 5.8805 5.9967 6.2727 6.2894 6.3819 6.5235 6.8144 6.8904 7.0491 7.0733 7.0971 7.1146 7.1555 7.1886 7.6307 7.6449 11.3689 11.4195 11.6320 11.8282 13.0570 13.4724 13.5686 13.6413 14.5185 14.5518 k = 0.2972-0.1768-0.4918 ( 4107 PWs) bands (ev): -10.3306 -10.3039 -9.9423 -9.9196 -9.2437 -9.2337 -8.9746 -8.9542 -8.6203 -8.6164 -8.5863 -8.5778 -1.3418 -1.3402 -1.2333 -1.2288 1.9623 1.9823 2.5308 2.5344 3.0843 3.3726 3.4617 3.4907 3.8019 3.8799 4.0370 4.1457 4.5133 4.5881 4.7777 5.0875 5.6166 5.6743 5.7833 5.8448 5.8698 5.9783 6.2645 6.2797 6.3406 6.4672 6.8211 6.8988 7.0218 7.0506 7.1184 7.1320 7.1754 7.2245 7.6087 7.6316 11.3655 11.3854 11.6249 11.7741 13.0308 13.4414 13.5423 13.6240 14.4762 14.5027 k = 0.3057-0.1819-0.5058 ( 4107 PWs) bands (ev): -10.2870 -10.2597 -9.9700 -9.9480 -9.2544 -9.2444 -8.9948 -8.9741 -8.6246 -8.6190 -8.5802 -8.5675 -1.3281 -1.3261 -1.2654 -1.2612 2.0310 2.0521 2.5033 2.5072 3.1377 3.4015 3.4987 3.5322 3.8229 3.9012 4.0458 4.1531 4.4986 4.5864 4.7561 5.0600 5.6069 5.6750 5.7781 5.8339 5.8666 5.9611 6.2541 6.2685 6.2961 6.4099 6.8202 6.8959 6.9924 7.0211 7.1466 7.1561 7.2031 7.2690 7.5838 7.6162 11.3284 11.3866 11.6254 11.7187 13.0123 13.4151 13.5190 13.6093 14.4345 14.4551 k = 0.3142-0.1869-0.5199 ( 4101 PWs) bands (ev): -10.2432 -10.2152 -9.9969 -9.9757 -9.2649 -9.2550 -9.0143 -8.9934 -8.6364 -8.6294 -8.5654 -8.5522 -1.3186 -1.3147 -1.2916 -1.2892 2.1000 2.1222 2.4723 2.4796 3.1888 3.4317 3.5340 3.5718 3.8361 3.9158 4.0510 4.1568 4.4944 4.5910 4.7360 5.0330 5.5990 5.6780 5.7732 5.8229 5.8691 5.9465 6.2422 6.2488 6.2576 6.3524 6.8104 6.8834 6.9651 6.9926 7.1764 7.1820 7.2378 7.3171 7.5564 7.5984 11.2818 11.3992 11.6312 11.6622 13.0019 13.3941 13.4987 13.5972 14.3935 14.4091 k = 0.3227-0.1920-0.5339 ( 4103 PWs) bands (ev): -10.1993 -10.1707 -10.0230 -10.0026 -9.2751 -9.2654 -9.0331 -9.0121 -8.6504 -8.6426 -8.5485 -8.5355 -1.3367 -1.3311 -1.2890 -1.2879 2.1692 2.1925 2.4401 2.4504 3.2362 3.4629 3.5686 3.6048 3.8429 3.9234 4.0573 4.1615 4.4972 4.5974 4.7174 5.0065 5.5922 5.6807 5.7706 5.8152 5.8753 5.9356 6.2023 6.2304 6.2439 6.2956 6.7918 6.8615 6.9420 6.9675 7.2053 7.2086 7.2782 7.3654 7.5273 7.5785 11.2330 11.4156 11.6016 11.6443 12.9995 13.3783 13.4818 13.5875 14.3533 14.3650 k = 0.3311-0.1970-0.5480 ( 4097 PWs) bands (ev): -10.1554 -10.1262 -10.0481 -10.0286 -9.2851 -9.2755 -9.0513 -9.0301 -8.6656 -8.6572 -8.5311 -8.5186 -1.3661 -1.3609 -1.2732 -1.2721 2.2385 2.2629 2.4077 2.4203 3.2787 3.4946 3.6025 3.6265 3.8474 3.9257 4.0670 4.1715 4.5028 4.6019 4.7001 4.9806 5.5848 5.6794 5.7715 5.8149 5.8840 5.9293 6.1564 6.2172 6.2284 6.2432 6.7660 6.8316 6.9233 6.9467 7.2331 7.2350 7.3217 7.4111 7.4978 7.5568 11.1830 11.4331 11.5437 11.6585 13.0047 13.3678 13.4685 13.5802 14.3136 14.3233 k = 0.3396-0.2021-0.5620 ( 4105 PWs) bands (ev): -10.1117 -10.0833 -10.0710 -10.0535 -9.2948 -9.2854 -9.0686 -9.0473 -8.6816 -8.6727 -8.5139 -8.5018 -1.3962 -1.3911 -1.2557 -1.2544 2.3077 2.3332 2.3756 2.3899 3.3145 3.5262 3.6274 3.6406 3.8554 3.9255 4.0806 4.1889 4.5074 4.6024 4.6840 4.9551 5.5748 5.6725 5.7728 5.8279 5.8943 5.9280 6.1129 6.1812 6.2079 6.2213 6.7348 6.7962 6.9078 6.9296 7.2595 7.2615 7.3651 7.4430 7.4785 7.5345 11.1322 11.4394 11.4972 11.6754 13.0169 13.3624 13.4589 13.5755 14.2745 14.2841 k = 0.3481-0.2071-0.5761 ( 4115 PWs) bands (ev): -10.0963 -10.0794 -10.0664 -10.0370 -9.3042 -9.2951 -9.0851 -9.0636 -8.6983 -8.6890 -8.4970 -8.4854 -1.4259 -1.4209 -1.2373 -1.2361 2.3438 2.3587 2.3779 2.4037 3.3418 3.5568 3.6188 3.6712 3.8692 3.9270 4.0978 4.2141 4.5085 4.5974 4.6690 4.9301 5.5606 5.6606 5.7739 5.8530 5.9039 5.9326 6.0739 6.1310 6.1966 6.2093 6.7002 6.7575 6.8940 6.9154 7.2832 7.2885 7.4005 7.4305 7.5012 7.5171 11.0809 11.3981 11.4985 11.6938 13.0356 13.3616 13.4532 13.5732 14.2364 14.2474 k = 0.3566-0.2122-0.5901 ( 4117 PWs) bands (ev): -10.1184 -10.1014 -10.0242 -9.9933 -9.3132 -9.3044 -9.1007 -9.0790 -8.7157 -8.7059 -8.4804 -8.4694 -1.4549 -1.4499 -1.2185 -1.2172 2.3133 2.3294 2.4464 2.4738 3.3594 3.5829 3.5995 3.7030 3.8854 3.9342 4.1181 4.2467 4.5047 4.5864 4.6549 4.9057 5.5421 5.6442 5.7760 5.8801 5.9107 5.9456 6.0434 6.0846 6.1872 6.1993 6.6639 6.7174 6.8816 6.9034 7.3037 7.3150 7.3868 7.4451 7.4971 7.5441 11.0294 11.3363 11.5202 11.7128 13.0598 13.3650 13.4515 13.5735 14.1997 14.2128 k = 0.3651-0.2172-0.6042 ( 4109 PWs) bands (ev): -10.1395 -10.1234 -9.9814 -9.9501 -9.3218 -9.3134 -9.1152 -9.0935 -8.7337 -8.7235 -8.4645 -8.4540 -1.4830 -1.4782 -1.1994 -1.1981 2.2841 2.3006 2.5150 2.5436 3.3669 3.5632 3.6171 3.7338 3.9003 3.9493 4.1414 4.2856 4.4956 4.5697 4.6419 4.8818 5.5201 5.6243 5.7767 5.8861 5.9248 5.9681 6.0274 6.0458 6.1798 6.1919 6.6275 6.6772 6.8701 6.8930 7.3182 7.3372 7.3594 7.4491 7.5123 7.5776 10.9780 11.2709 11.5450 11.7314 13.0885 13.3719 13.4539 13.5763 14.1650 14.1801 k = 0.3736-0.2223-0.6183 ( 4107 PWs) bands (ev): -10.1595 -10.1443 -9.9392 -9.9075 -9.3300 -9.3219 -9.1287 -9.1068 -8.7522 -8.7417 -8.4491 -8.4391 -1.5101 -1.5054 -1.1802 -1.1789 2.2564 2.2729 2.5830 2.6129 3.3650 3.5301 3.6428 3.7634 3.9132 3.9708 4.1678 4.3295 4.4814 4.5479 4.6299 4.8584 5.4957 5.6020 5.7712 5.8684 5.9424 5.9902 6.0185 6.0352 6.1750 6.1881 6.5927 6.6382 6.8596 6.8839 7.3145 7.3270 7.3706 7.4429 7.5437 7.6083 10.9271 11.2047 11.5703 11.7492 13.1208 13.3817 13.4603 13.5815 14.1323 14.1491 k = 0.6264 0.0621-0.4183 ( 4107 PWs) bands (ev): -10.1595 -10.1443 -9.9392 -9.9075 -9.3300 -9.3220 -9.1287 -9.1068 -8.7523 -8.7417 -8.4491 -8.4391 -1.5101 -1.5054 -1.1802 -1.1789 2.2564 2.2729 2.5830 2.6129 3.3650 3.5301 3.6428 3.7634 3.9132 3.9708 4.1678 4.3295 4.4814 4.5479 4.6299 4.8584 5.4957 5.6020 5.7712 5.8684 5.9424 5.9902 6.0185 6.0352 6.1750 6.1881 6.5927 6.6382 6.8596 6.8839 7.3145 7.3270 7.3706 7.4429 7.5437 7.6083 10.9271 11.2047 11.5703 11.7491 13.1208 13.3817 13.4603 13.5815 14.1323 14.1491 k = 0.6180 0.0769-0.4183 ( 4103 PWs) bands (ev): -10.1782 -10.1639 -9.8981 -9.8661 -9.3377 -9.3301 -9.1409 -9.1189 -8.7713 -8.7605 -8.4345 -8.4251 -1.5360 -1.5314 -1.1614 -1.1600 2.2305 2.2468 2.6497 2.6810 3.3556 3.4959 3.6666 3.7911 3.9249 3.9951 4.1971 4.3761 4.4636 4.5226 4.6190 4.8356 5.4701 5.5788 5.7566 5.8403 5.9537 5.9886 6.0217 6.0618 6.1733 6.1893 6.5617 6.6024 6.8500 6.8763 7.2846 7.3169 7.3942 7.4446 7.5756 7.6355 10.8773 11.1390 11.5950 11.7652 13.1554 13.3936 13.4706 13.5890 14.1021 14.1203 k = 0.6095 0.0917-0.4183 ( 4107 PWs) bands (ev): -10.1958 -10.1824 -9.8579 -9.8257 -9.3450 -9.3378 -9.1518 -9.1298 -8.7908 -8.7798 -8.4206 -8.4118 -1.5607 -1.5563 -1.1428 -1.1415 2.2065 2.2223 2.7152 2.7482 3.3408 3.4624 3.6883 3.8166 3.9362 4.0196 4.2290 4.4143 4.4518 4.4963 4.6091 4.8131 5.4437 5.5554 5.7338 5.8075 5.9588 5.9803 6.0384 6.0911 6.1748 6.1965 6.5371 6.5720 6.8415 6.8701 7.2531 7.2979 7.4171 7.4544 7.6055 7.6596 10.8288 11.0739 11.6187 11.7794 13.1913 13.4068 13.4844 13.5985 14.0740 14.0933 k = 0.6011 0.1065-0.4183 ( 4111 PWs) bands (ev): -10.2121 -10.1997 -9.8188 -9.7867 -9.3518 -9.3450 -9.1613 -9.1394 -8.8109 -8.7997 -8.4075 -8.3993 -1.5842 -1.5800 -1.1247 -1.1234 2.1844 2.1996 2.7790 2.8142 3.3228 3.4309 3.7076 3.8390 3.9471 4.0428 4.2617 4.4033 4.4619 4.4964 4.6008 4.7910 5.4170 5.5324 5.7059 5.7734 5.9589 5.9754 6.0544 6.1131 6.1788 6.2071 6.5229 6.5501 6.8342 6.8654 7.2225 7.2734 7.4385 7.4681 7.6327 7.6807 10.7819 11.0100 11.6410 11.7914 13.2278 13.4205 13.5015 13.6100 14.0483 14.0682 k = 0.5927 0.1213-0.4183 ( 4115 PWs) bands (ev): -10.2272 -10.2158 -9.7810 -9.7491 -9.3581 -9.3518 -9.1694 -9.1475 -8.8314 -8.8202 -8.3952 -8.3876 -1.6063 -1.6023 -1.1072 -1.1059 2.1641 2.1785 2.8405 2.8786 3.3037 3.4026 3.7246 3.8579 3.9578 4.0634 4.2894 4.3751 4.4454 4.5432 4.5962 4.7693 5.3905 5.5104 5.6758 5.7398 5.9558 5.9714 6.0648 6.1272 6.1841 6.2139 6.5231 6.5398 6.8283 6.8624 7.1933 7.2466 7.4581 7.4827 7.6571 7.6991 10.7371 10.9479 11.6617 11.8010 13.2639 13.4344 13.5212 13.6229 14.0249 14.0449 k = 0.5843 0.1361-0.4183 ( 4109 PWs) bands (ev): -10.2410 -10.2306 -9.7449 -9.7134 -9.3639 -9.3581 -9.1757 -9.1541 -8.8522 -8.8411 -8.3838 -8.3768 -1.6268 -1.6231 -1.0905 -1.0893 2.1459 2.1593 2.8988 2.9406 3.2852 3.3786 3.7393 3.8726 3.9680 4.0805 4.3011 4.3437 4.4447 4.5739 4.6134 4.7485 5.3645 5.4895 5.6456 5.7080 5.9507 5.9665 6.0670 6.1346 6.1899 6.2121 6.5378 6.5433 6.8242 6.8615 7.1660 7.2191 7.4755 7.4967 7.6788 7.7151 10.6949 10.8881 11.6806 11.8084 13.2987 13.4477 13.5430 13.6369 14.0038 14.0236 k = 0.5758 0.1510-0.4183 ( 4105 PWs) bands (ev): -10.2535 -10.2441 -9.7106 -9.6798 -9.3692 -9.3639 -9.1802 -9.1590 -8.8734 -8.8625 -8.3732 -8.3669 -1.6458 -1.6424 -1.0748 -1.0737 2.1296 2.1420 2.9524 2.9988 3.2696 3.3604 3.7518 3.8834 3.9769 4.0929 4.2915 4.3117 4.4668 4.5765 4.6592 4.7303 5.3393 5.4698 5.6169 5.6783 5.9443 5.9605 6.0597 6.1325 6.1963 6.2061 6.5553 6.5670 6.8224 6.8631 7.1408 7.1921 7.4905 7.5090 7.6980 7.7289 10.6558 10.8310 11.6978 11.8135 13.3315 13.4601 13.5662 13.6515 13.9850 14.0042 k = 0.5674 0.1658-0.4183 ( 4109 PWs) bands (ev): -10.2648 -10.2564 -9.6784 -9.6488 -9.3739 -9.3692 -9.1826 -9.1621 -8.8947 -8.8841 -8.3637 -8.3580 -1.6632 -1.6600 -1.0603 -1.0592 2.1152 2.1264 2.9993 3.0503 3.2602 3.3499 3.7623 3.8907 3.9826 4.0988 4.2712 4.2820 4.4993 4.5803 4.6878 4.7330 5.3155 5.4510 5.5908 5.6510 5.9370 5.9536 6.0442 6.1163 6.2026 6.2063 6.5767 6.5994 6.8239 6.8675 7.1179 7.1662 7.5028 7.5193 7.7149 7.7408 10.6202 10.7772 11.7133 11.8165 13.3619 13.4714 13.5898 13.6662 13.9686 13.9868 k = 0.5590 0.1806-0.4183 ( 4111 PWs) bands (ev): -10.2746 -10.2673 -9.6486 -9.6207 -9.3781 -9.3739 -9.1829 -9.1633 -8.9159 -8.9059 -8.3551 -8.3502 -1.6787 -1.6758 -1.0470 -1.0460 2.1027 2.1128 3.0373 3.0899 3.2626 3.3491 3.7708 3.8951 3.9831 4.0955 4.2508 4.2576 4.5249 4.5979 4.6764 4.7741 5.2937 5.4328 5.5681 5.6262 5.9292 5.9463 6.0231 6.0886 6.2086 6.2139 6.6010 6.6312 6.8298 6.8751 7.0977 7.1418 7.5126 7.5273 7.7295 7.7510 10.5887 10.7271 11.7272 11.8177 13.3894 13.4812 13.6133 13.6803 13.9545 13.9713 k = 0.5506 0.1954-0.4183 ( 4115 PWs) bands (ev): -10.2831 -10.2768 -9.6217 -9.5960 -9.3817 -9.3781 -9.1808 -9.1626 -8.9369 -8.9276 -8.3476 -8.3433 -1.6923 -1.6898 -1.0352 -1.0343 2.0922 2.1009 3.0645 3.1119 3.2823 3.3594 3.7775 3.8972 3.9763 4.0812 4.2354 4.2414 4.5355 4.6333 4.6584 4.8183 5.2749 5.4148 5.5495 5.6040 5.9212 5.9390 5.9997 6.0554 6.2166 6.2227 6.6248 6.6579 6.8411 6.8857 7.0803 7.1195 7.5198 7.5329 7.7421 7.7596 10.5617 10.6812 11.7396 11.8172 13.4138 13.4894 13.6358 13.6933 13.9427 13.9579 k = 0.5421 0.2102-0.4183 ( 4103 PWs) bands (ev): -10.2903 -10.2850 -9.5978 -9.5750 -9.3847 -9.3817 -9.1764 -9.1601 -8.9573 -8.9488 -8.3411 -8.3375 -1.7039 -1.7018 -1.0249 -1.0241 2.0834 2.0908 3.0813 3.1181 3.3172 3.3797 3.7825 3.8969 3.9621 4.0578 4.2254 4.2344 4.5392 4.6389 4.6783 4.8569 5.2604 5.3965 5.5353 5.5842 5.9130 5.9319 5.9770 6.0212 6.2252 6.2310 6.6456 6.6773 6.8576 6.8986 7.0660 7.0995 7.5247 7.5363 7.7529 7.7668 10.5397 10.6399 11.7506 11.8154 13.4350 13.4958 13.6566 13.7046 13.9331 13.9464 k = 0.5337 0.2251-0.4183 ( 4102 PWs) bands (ev): -10.2960 -10.2918 -9.5773 -9.5581 -9.3872 -9.3847 -9.1700 -9.1559 -8.9766 -8.9692 -8.3357 -8.3328 -1.7135 -1.7118 -1.0163 -1.0157 2.0765 2.0824 3.0900 3.1161 3.3589 3.4066 3.7861 3.8924 3.9441 4.0299 4.2212 4.2327 4.5416 4.6211 4.7239 4.8861 5.2521 5.3777 5.5253 5.5670 5.9048 5.9251 5.9574 5.9889 6.2332 6.2384 6.6625 6.6895 6.8774 6.9122 7.0549 7.0823 7.5278 7.5377 7.7618 7.7725 10.5230 10.6036 11.7606 11.8123 13.4531 13.5002 13.6752 13.7137 13.9258 13.9368 k = 0.5253 0.2399-0.4183 ( 4098 PWs) bands (ev): -10.3004 -10.2972 -9.5605 -9.5455 -9.3890 -9.3871 -9.1620 -9.1507 -8.9939 -8.9878 -8.3314 -8.3292 -1.7210 -1.7197 -1.0095 -1.0090 2.0713 2.0758 3.0939 3.1112 3.4003 3.4350 3.7889 3.8788 3.9311 4.0019 4.2213 4.2328 4.5447 4.6045 4.7681 4.9031 5.2517 5.3579 5.5195 5.5522 5.8971 5.9183 5.9424 5.9612 6.2402 6.2443 6.6755 6.6960 6.8975 6.9247 7.0472 7.0680 7.5297 7.5376 7.7690 7.7768 10.5120 10.5727 11.7696 11.8084 13.4682 13.5026 13.6912 13.7202 13.9206 13.9292 k = 0.5169 0.2547-0.4183 ( 4102 PWs) bands (ev): -10.3034 -10.3013 -9.5476 -9.5372 -9.3902 -9.3890 -9.1536 -9.1455 -9.0081 -9.0037 -8.3282 -8.3268 -1.7263 -1.7254 -1.0046 -1.0043 2.0678 2.0708 3.0956 3.1061 3.4366 3.4596 3.7923 3.8559 3.9279 3.9766 4.2239 4.2330 4.5494 4.5894 4.8091 4.9063 5.2598 5.3372 5.5174 5.5400 5.8913 5.9103 5.9325 5.9412 6.2456 6.2484 6.6850 6.6987 6.9152 6.9337 7.0429 7.0569 7.5310 7.5365 7.7745 7.7796 10.5069 10.5475 11.7777 11.8035 13.4803 13.5029 13.7042 13.7236 13.9174 13.9233 k = 0.5084 0.2695-0.4183 ( 4108 PWs) bands (ev): -10.3050 -10.3039 -9.5387 -9.5334 -9.3908 -9.3902 -9.1463 -9.1420 -9.0174 -9.0150 -8.3261 -8.3254 -1.7294 -1.7290 -1.0016 -1.0014 2.0661 2.0676 3.0969 3.1018 3.4634 3.4750 3.7989 3.8314 3.9318 3.9562 4.2272 4.2322 4.5562 4.5762 4.8454 4.8963 5.2749 5.3158 5.5187 5.5302 5.8893 5.9004 5.9274 5.9305 6.2493 6.2507 6.6918 6.6985 6.9283 6.9377 7.0419 7.0489 7.5321 7.5349 7.7782 7.7807 10.5078 10.5281 11.7851 11.7980 13.4897 13.5009 13.7140 13.7237 13.9162 13.9192 k = 0.5000 0.2843-0.4183 ( 4110 PWs) bands (ev): -10.3052 -10.3052 -9.5339 -9.5339 -9.3908 -9.3908 -9.1420 -9.1420 -9.0199 -9.0199 -8.3252 -8.3252 -1.7303 -1.7303 -1.0005 -1.0005 2.0660 2.0660 3.0988 3.0988 3.4768 3.4768 3.8116 3.8116 3.9412 3.9412 4.2302 4.2302 4.5651 4.5651 4.8751 4.8751 5.2944 5.2944 5.5231 5.5231 5.8924 5.8924 5.9267 5.9267 6.2510 6.2510 6.6962 6.6962 6.9360 6.9360 7.0440 7.0440 7.5334 7.5334 7.7803 7.7803 10.5149 10.5149 11.7919 11.7919 13.4965 13.4965 13.7206 13.7206 13.9168 13.9168 k = 0.5000 0.2843-0.4183 ( 4110 PWs) bands (ev): -10.3052 -10.3052 -9.5339 -9.5339 -9.3908 -9.3908 -9.1420 -9.1420 -9.0199 -9.0199 -8.3252 -8.3252 -1.7303 -1.7303 -1.0005 -1.0005 2.0660 2.0660 3.0988 3.0988 3.4768 3.4768 3.8116 3.8116 3.9412 3.9412 4.2302 4.2302 4.5651 4.5651 4.8751 4.8751 5.2944 5.2944 5.5231 5.5231 5.8924 5.8924 5.9267 5.9267 6.2510 6.2510 6.6962 6.6962 6.9360 6.9360 7.0440 7.0440 7.5334 7.5334 7.7803 7.7803 10.5149 10.5149 11.7919 11.7919 13.4965 13.4965 13.7206 13.7206 13.9168 13.9168 k = 0.5084 0.2891-0.4050 ( 4111 PWs) bands (ev): -10.3050 -10.3041 -9.5376 -9.5359 -9.3908 -9.3903 -9.1417 -9.1416 -9.0185 -9.0173 -8.3258 -8.3256 -1.7297 -1.7292 -1.0016 -1.0015 2.0663 2.0675 3.0922 3.0969 3.4779 3.4782 3.8075 3.8190 3.9424 3.9440 4.2279 4.2303 4.5633 4.5667 4.8764 4.8770 5.2894 5.2922 5.5176 5.5232 5.8987 5.9012 5.9261 5.9272 6.2505 6.2514 6.6862 6.6985 6.9302 6.9403 7.0398 7.0528 7.5244 7.5392 7.7781 7.7830 10.5124 10.5231 11.7898 11.7939 13.4939 13.4979 13.7212 13.7215 13.9137 13.9157 k = 0.5169 0.2939-0.3917 ( 4107 PWs) bands (ev): -10.3035 -10.3018 -9.5469 -9.5436 -9.3902 -9.3891 -9.1404 -9.1402 -9.0131 -9.0108 -8.3272 -8.3269 -1.7273 -1.7264 -1.0048 -1.0045 2.0684 2.0708 3.0776 3.0868 3.4814 3.4822 3.8063 3.8297 3.9473 3.9508 4.2234 4.2283 4.5613 4.5680 4.8805 4.8819 5.2774 5.2822 5.5084 5.5202 5.9165 5.9209 5.9279 5.9297 6.2499 6.2517 6.6689 6.6929 6.9239 6.9423 7.0410 7.0653 7.5127 7.5414 7.7766 7.7859 10.5156 10.5370 11.7877 11.7958 13.4900 13.4981 13.7236 13.7240 13.9066 13.9105 k = 0.5253 0.2987-0.3783 ( 4104 PWs) bands (ev): -10.3008 -10.2982 -9.5614 -9.5565 -9.3891 -9.3874 -9.1382 -9.1381 -9.0041 -9.0009 -8.3296 -8.3292 -1.7233 -1.7219 -1.0099 -1.0094 2.0723 2.0759 3.0556 3.0688 3.4875 3.4887 3.8077 3.8430 3.9554 3.9613 4.2168 4.2246 4.5592 4.5690 4.8870 4.8890 5.2586 5.2644 5.4992 5.5178 5.9221 5.9227 5.9537 5.9580 6.2493 6.2519 6.6446 6.6796 6.9175 6.9419 7.0479 7.0807 7.4987 7.5398 7.7760 7.7885 10.5244 10.5565 11.7854 11.7977 13.4849 13.4970 13.7277 13.7278 13.8957 13.9014 k = 0.5337 0.3035-0.3650 ( 4108 PWs) bands (ev): -10.2969 -10.2934 -9.5804 -9.5743 -9.3874 -9.3852 -9.1352 -9.1350 -8.9920 -8.9880 -8.3330 -8.3324 -1.7175 -1.7157 -1.0170 -1.0164 2.0781 2.0828 3.0268 3.0437 3.4962 3.4979 3.8110 3.8579 3.9664 3.9751 4.2084 4.2199 4.5571 4.5694 4.8946 4.8972 5.2343 5.2402 5.4931 5.5194 5.9198 5.9216 5.9917 5.9980 6.2486 6.2521 6.6142 6.6587 6.9117 6.9397 7.0597 7.0986 7.4825 7.5342 7.7760 7.7906 10.5387 10.5813 11.7829 11.7995 13.4784 13.4944 13.7322 13.7335 13.8818 13.8888 k = 0.5421 0.3083-0.3517 ( 4116 PWs) bands (ev): -10.2917 -10.2873 -9.6034 -9.5962 -9.3851 -9.3824 -9.1312 -9.1311 -8.9775 -8.9728 -8.3372 -8.3364 -1.7101 -1.7079 -1.0260 -1.0253 2.0858 2.0916 2.9922 3.0122 3.5073 3.5097 3.8156 3.8733 3.9796 3.9913 4.1990 4.2150 4.5549 4.5691 4.9014 4.9043 5.2077 5.2133 5.4917 5.5259 5.9167 5.9192 6.0345 6.0424 6.2481 6.2524 6.5782 6.6309 6.9066 6.9365 7.0756 7.1187 7.4643 7.5247 7.7763 7.7917 10.5583 10.6112 11.7801 11.8011 13.4703 13.4903 13.7368 13.7407 13.8658 13.8733 k = 0.5506 0.3131-0.3384 ( 4118 PWs) bands (ev): -10.2853 -10.2800 -9.6298 -9.6216 -9.3823 -9.3790 -9.1264 -9.1263 -8.9611 -8.9558 -8.3423 -8.3414 -1.7011 -1.6985 -1.0367 -1.0358 2.0955 2.1023 2.9527 2.9753 3.5208 3.5239 3.8211 3.8876 3.9946 4.0084 4.1893 4.2110 4.5526 4.5680 4.9037 4.9069 5.1836 5.1892 5.4950 5.5371 5.9129 5.9160 6.0798 6.0893 6.2476 6.2529 6.5378 6.5969 6.9023 6.9332 7.0948 7.1408 7.4442 7.5114 7.7767 7.7916 10.5828 10.6459 11.7767 11.8025 13.4604 13.4845 13.7398 13.7489 13.8499 13.8557 k = 0.5590 0.3179-0.3250 ( 4123 PWs) bands (ev): -10.2777 -10.2715 -9.6591 -9.6501 -9.3789 -9.3751 -9.1206 -9.1206 -8.9433 -8.9376 -8.3483 -8.3473 -1.6906 -1.6875 -1.0491 -1.0481 2.1071 2.1149 2.9090 2.9338 3.5366 3.5403 3.8270 3.8992 4.0107 4.0248 4.1810 4.2092 4.5502 4.5658 4.8973 4.9004 5.1683 5.1742 5.5025 5.5522 5.9084 5.9118 6.1262 6.1374 6.2473 6.2535 6.4940 6.5575 6.8989 6.9301 7.1166 7.1646 7.4223 7.4947 7.7764 7.7900 10.6119 10.6850 11.7728 11.8034 13.4485 13.4768 13.7383 13.7570 13.8374 13.8379 k = 0.5674 0.3227-0.3117 ( 4122 PWs) bands (ev): -10.2688 -10.2618 -9.6907 -9.6811 -9.3750 -9.3707 -9.1141 -9.1140 -8.9245 -8.9185 -8.3552 -8.3540 -1.6785 -1.6751 -1.0629 -1.0619 2.1207 2.1295 2.8619 2.8884 3.5543 3.5586 3.8329 3.9068 4.0274 4.0381 4.1761 4.2109 4.5474 4.5621 4.8785 4.8816 5.1667 5.1731 5.5135 5.5705 5.9031 5.9067 6.1722 6.1858 6.2472 6.2545 6.4482 6.5138 6.8964 6.9275 7.1407 7.1899 7.3984 7.4749 7.7752 7.7866 10.6452 10.7282 11.7680 11.8037 13.4343 13.4671 13.7292 13.7618 13.8236 13.8323 k = 0.5758 0.3275-0.2984 ( 4120 PWs) bands (ev): -10.2588 -10.2509 -9.7244 -9.7142 -9.3705 -9.3657 -9.1067 -9.1066 -8.9051 -8.8988 -8.3629 -8.3615 -1.6649 -1.6612 -1.0781 -1.0771 2.1363 2.1462 2.8118 2.8398 3.5736 3.5782 3.8382 3.9094 4.0443 4.0461 4.1769 4.2167 4.5442 4.5563 4.8480 4.8515 5.1796 5.1863 5.5273 5.5915 5.8971 5.9007 6.2160 6.2334 6.2472 6.2560 6.4031 6.4670 6.8948 6.9255 7.1665 7.2166 7.3728 7.4522 7.7725 7.7814 10.6824 10.7752 11.7623 11.8034 13.4175 13.4551 13.7118 13.7572 13.8196 13.8357 k = 0.5843 0.3322-0.2850 ( 4121 PWs) bands (ev): -10.2475 -10.2389 -9.7598 -9.7491 -9.3656 -9.3603 -9.0985 -9.0983 -8.8853 -8.8789 -8.3714 -8.3699 -1.6500 -1.6460 -1.0945 -1.0934 2.1541 2.1648 2.7592 2.7884 3.5938 3.5984 3.8424 3.9071 4.0478 4.0609 4.1844 4.2265 4.5402 4.5478 4.8095 4.8142 5.2044 5.2111 5.5434 5.6144 5.8904 5.8938 6.2417 6.2551 6.2573 6.2819 6.3652 6.4190 6.8941 6.9242 7.1937 7.2444 7.3456 7.4272 7.7681 7.7741 10.7230 10.8254 11.7555 11.8022 13.3979 13.4411 13.6891 13.7421 13.8274 13.8456 k = 0.5927 0.3370-0.2717 ( 4115 PWs) bands (ev): -10.2351 -10.2257 -9.7965 -9.7855 -9.3601 -9.3543 -9.0895 -9.0891 -8.8655 -8.8589 -8.3806 -8.3790 -1.6337 -1.6295 -1.1120 -1.1108 2.1739 2.1855 2.7046 2.7346 3.6140 3.6179 3.8452 3.9011 4.0449 4.0765 4.1974 4.2395 4.5349 4.5354 4.7676 4.7743 5.2380 5.2442 5.5612 5.6390 5.8831 5.8859 6.2336 6.2548 6.2732 6.3238 6.3554 6.3756 6.8942 6.9236 7.2209 7.2726 7.3177 7.4003 7.7617 7.7646 10.7666 10.8785 11.7476 11.8001 13.3755 13.4249 13.6640 13.7224 13.8419 13.8598 k = 0.6011 0.3418-0.2584 ( 4112 PWs) bands (ev): -10.2216 -10.2113 -9.8345 -9.8231 -9.3542 -9.3479 -9.0796 -9.0792 -8.8456 -8.8390 -8.3906 -8.3889 -1.6162 -1.6117 -1.1303 -1.1291 2.1958 2.2083 2.6484 2.6790 3.6327 3.6351 3.8468 3.8937 4.0395 4.0906 4.2135 4.2539 4.5180 4.5278 4.7263 4.7357 5.2780 5.2830 5.5803 5.6648 5.8753 5.8771 6.2075 6.2482 6.2715 6.3205 6.3825 6.3827 6.8950 6.9237 7.2425 7.2947 7.2996 7.3731 7.7528 7.7531 10.8127 10.9340 11.7383 11.7970 13.3503 13.4071 13.6386 13.7018 13.8598 13.8768 k = 0.6095 0.3466-0.2451 ( 4108 PWs) bands (ev): -10.2069 -10.1959 -9.8735 -9.8618 -9.3477 -9.3411 -9.0690 -9.0685 -8.8260 -8.8193 -8.4013 -8.3995 -1.5974 -1.5928 -1.1493 -1.1481 2.2198 2.2331 2.5907 2.6217 3.6473 3.6479 3.8482 3.8878 4.0335 4.1024 4.2306 4.2679 4.4949 4.5179 4.6896 4.7015 5.3230 5.3260 5.6003 5.6914 5.8670 5.8678 6.1699 6.2251 6.2721 6.2997 6.4212 6.4244 6.8965 6.9244 7.2342 7.3005 7.3140 7.3571 7.7387 7.7421 10.8608 10.9916 11.7278 11.7927 13.3228 13.3880 13.6142 13.6818 13.8799 13.8962 k = 0.6180 0.3514-0.2317 ( 4111 PWs) bands (ev): -10.1912 -10.1794 -9.9133 -9.9014 -9.3409 -9.3338 -9.0576 -9.0570 -8.8066 -8.7998 -8.4127 -8.4107 -1.5776 -1.5728 -1.1688 -1.1677 2.2458 2.2599 2.5319 2.5631 3.6518 3.6566 3.8515 3.8863 4.0272 4.1110 4.2471 4.2790 4.4664 4.5045 4.6615 4.6733 5.3714 5.3716 5.6206 5.7182 5.8585 5.8586 6.1311 6.1862 6.2755 6.2951 6.4619 6.4673 6.8987 6.9256 7.2032 7.2930 7.3278 7.3746 7.7224 7.7288 10.9105 11.0508 11.7160 11.7873 13.2936 13.3685 13.5915 13.6630 13.9019 13.9174 k = 0.6264 0.3562-0.2184 ( 4117 PWs) bands (ev): -10.1744 -10.1618 -9.9538 -9.9417 -9.3336 -9.3261 -9.0455 -9.0448 -8.7875 -8.7808 -8.4246 -8.4226 -1.5566 -1.5517 -1.1887 -1.1877 2.2737 2.2884 2.4724 2.5035 3.6466 3.6564 3.8587 3.8908 4.0201 4.1160 4.2616 4.2849 4.4346 4.4879 4.6448 4.6511 5.4179 5.4229 5.6407 5.7446 5.8505 5.8506 6.0955 6.1440 6.2807 6.2975 6.5024 6.5091 6.9014 6.9272 7.1666 7.2594 7.3592 7.4029 7.7038 7.7131 10.9615 11.1111 11.7030 11.7809 13.2635 13.3494 13.5712 13.6460 13.9253 13.9403 k = 0.6264 0.3562-0.2184 ( 4117 PWs) bands (ev): -10.1744 -10.1618 -9.9538 -9.9417 -9.3336 -9.3261 -9.0455 -9.0448 -8.7875 -8.7808 -8.4246 -8.4226 -1.5566 -1.5517 -1.1887 -1.1877 2.2737 2.2884 2.4724 2.5035 3.6466 3.6564 3.8587 3.8908 4.0201 4.1160 4.2616 4.2849 4.4346 4.4879 4.6448 4.6511 5.4179 5.4229 5.6407 5.7446 5.8505 5.8506 6.0955 6.1440 6.2807 6.2975 6.5024 6.5091 6.9014 6.9272 7.1666 7.2594 7.3592 7.4029 7.7038 7.7131 10.9615 11.1111 11.7030 11.7809 13.2635 13.3494 13.5712 13.6460 13.9253 13.9403 k = 0.6215 0.3534-0.2023 ( 4111 PWs) bands (ev): -10.1661 -10.1550 -9.9791 -9.9675 -9.3244 -9.3187 -9.0379 -9.0371 -8.7744 -8.7679 -8.4320 -8.4298 -1.5452 -1.5403 -1.2037 -1.2028 2.2855 2.3013 2.4391 2.4725 3.6400 3.6609 3.8896 3.9025 4.0143 4.1295 4.2662 4.2845 4.4108 4.4625 4.6363 4.6399 5.4496 5.4599 5.6619 5.7485 5.8577 5.8596 6.0765 6.1245 6.2741 6.2914 6.5190 6.5282 6.8918 6.9167 7.1227 7.2203 7.3913 7.4269 7.6994 7.7126 11.0037 11.1484 11.7014 11.7756 13.2366 13.3409 13.5595 13.6135 13.9355 13.9498 k = 0.6167 0.3507-0.1862 ( 4111 PWs) bands (ev): -10.1610 -10.1515 -10.0037 -9.9927 -9.3114 -9.3075 -9.0299 -9.0289 -8.7617 -8.7553 -8.4398 -8.4374 -1.5333 -1.5285 -1.2182 -1.2173 2.2922 2.3088 2.4074 2.4423 3.6338 3.6647 3.9094 3.9114 4.0109 4.1377 4.2630 4.2856 4.3922 4.4351 4.6223 4.6357 5.4787 5.5054 5.6904 5.7589 5.8640 5.8685 6.0576 6.1054 6.2739 6.2911 6.5339 6.5458 6.8831 6.9058 7.0795 7.1800 7.4207 7.4487 7.6944 7.7109 11.0473 11.1876 11.6998 11.7700 13.2115 13.3328 13.5469 13.5823 13.9520 13.9662 k = 0.6118 0.3479-0.1701 ( 4105 PWs) bands (ev): -10.1591 -10.1511 -10.0277 -10.0172 -9.2949 -9.2927 -9.0212 -9.0201 -8.7492 -8.7432 -8.4479 -8.4453 -1.5212 -1.5164 -1.2321 -1.2312 2.2940 2.3111 2.3778 2.4134 3.6287 3.6682 3.9091 3.9194 4.0138 4.1412 4.2513 4.2897 4.3805 4.4072 4.6093 4.6310 5.5089 5.5533 5.7244 5.7743 5.8695 5.8768 6.0392 6.0878 6.2805 6.2972 6.5465 6.5616 6.8757 6.8948 7.0384 7.1393 7.4472 7.4682 7.6889 7.7083 11.0915 11.2274 11.6974 11.7635 13.1889 13.3252 13.5341 13.5536 13.9738 13.9889 k = 0.6070 0.3451-0.1540 ( 4097 PWs) bands (ev): -10.1599 -10.1533 -10.0509 -10.0411 -9.2751 -9.2746 -9.0120 -9.0107 -8.7373 -8.7315 -8.4564 -8.4536 -1.5088 -1.5041 -1.2455 -1.2446 2.2916 2.3077 2.3515 2.3858 3.6248 3.6710 3.9006 3.9130 4.0230 4.1407 4.2329 4.2970 4.3754 4.3806 4.5979 4.6258 5.5388 5.6017 5.7603 5.7907 5.8770 5.8864 6.0225 6.0729 6.2938 6.3095 6.5562 6.5749 6.8703 6.8834 7.0007 7.0989 7.4711 7.4856 7.6832 7.7050 11.1350 11.2667 11.6939 11.7558 13.1694 13.3183 13.5217 13.5283 14.0004 14.0171 k = 0.6021 0.3424-0.1380 ( 4105 PWs) bands (ev): -10.1631 -10.1579 -10.0735 -10.0641 -9.2537 -9.2527 -9.0024 -9.0009 -8.7258 -8.7203 -8.4653 -8.4622 -1.4964 -1.4918 -1.2583 -1.2575 2.2853 2.2975 2.3303 2.3599 3.6216 3.6725 3.8844 3.8973 4.0329 4.1361 4.2102 4.3021 4.3609 4.3761 4.5886 4.6205 5.5660 5.6479 5.7907 5.8008 5.8933 5.9029 6.0095 6.0628 6.3128 6.3271 6.5628 6.5855 6.8672 6.8709 6.9682 7.0594 7.4925 7.5012 7.6773 7.7010 11.1771 11.3043 11.6886 11.7464 13.1539 13.3125 13.5070 13.5105 14.0311 14.0499 k = 0.5972 0.3396-0.1219 ( 4103 PWs) bands (ev): -10.1684 -10.1644 -10.0952 -10.0864 -9.2303 -9.2279 -8.9922 -8.9906 -8.7150 -8.7098 -8.4745 -8.4713 -1.4841 -1.4796 -1.2704 -1.2696 2.2760 2.2805 2.3149 2.3357 3.6186 3.6719 3.8622 3.8769 4.0384 4.1270 4.1851 4.2912 4.3621 4.3826 4.5822 4.6163 5.5883 5.6871 5.8007 5.8061 5.9221 5.9342 6.0044 6.0604 6.3360 6.3487 6.5662 6.5929 6.8562 6.8666 6.9433 7.0215 7.5117 7.5153 7.6713 7.6966 11.2167 11.3392 11.6813 11.7350 13.1430 13.3083 13.4900 13.5008 14.0653 14.0864 k = 0.5924 0.3369-0.1058 ( 4103 PWs) bands (ev): -10.1754 -10.1725 -10.1161 -10.1078 -9.2048 -9.2012 -8.9816 -8.9798 -8.7048 -8.6999 -8.4840 -8.4807 -1.4721 -1.4676 -1.2820 -1.2812 2.2608 2.2645 2.3020 2.3134 3.6150 3.6683 3.8359 3.8542 4.0374 4.1134 4.1588 4.2652 4.3821 4.3948 4.5794 4.6141 5.6034 5.7127 5.7931 5.8053 5.9597 5.9793 6.0134 6.0684 6.3617 6.3725 6.5667 6.5972 6.8391 6.8683 6.9273 6.9861 7.5280 7.5288 7.6654 7.6918 11.2530 11.3702 11.6716 11.7215 13.1374 13.3063 13.4774 13.4933 14.1024 14.1257 k = 0.5875 0.3341-0.0897 ( 4101 PWs) bands (ev): -10.1837 -10.1817 -10.1361 -10.1284 -9.1778 -9.1732 -8.9705 -8.9686 -8.6953 -8.6907 -8.4940 -8.4904 -1.4603 -1.4560 -1.2928 -1.2921 2.2415 2.2515 2.2893 2.2930 3.6103 3.6611 3.8069 3.8303 4.0295 4.0957 4.1317 4.2340 4.4105 4.4127 4.5808 4.6149 5.6103 5.7203 5.7810 5.7934 6.0018 6.0310 6.0410 6.0886 6.3882 6.3969 6.5650 6.5988 6.8211 6.8719 6.9194 6.9542 7.5394 7.5440 7.6596 7.6868 11.2855 11.3965 11.6596 11.7057 13.1376 13.3071 13.4691 13.4880 14.1419 14.1670 k = 0.5826 0.3313-0.0736 ( 4099 PWs) bands (ev): -10.1930 -10.1918 -10.1552 -10.1480 -9.1496 -9.1441 -8.9590 -8.9569 -8.6866 -8.6824 -8.5042 -8.5006 -1.4490 -1.4448 -1.3031 -1.3023 2.2236 2.2378 2.2744 2.2764 3.6040 3.6501 3.7766 3.8057 4.0157 4.0744 4.1039 4.2002 4.4358 4.4432 4.5872 4.6194 5.6092 5.7124 5.7641 5.7741 6.0485 6.0832 6.0833 6.1216 6.4141 6.4202 6.5622 6.5985 6.8055 6.8759 6.9175 6.9277 7.5498 7.5575 7.6540 7.6817 11.3134 11.4174 11.6451 11.6879 13.1440 13.3111 13.4649 13.4853 14.1830 14.2093 k = 0.5778 0.3286-0.0575 ( 4103 PWs) bands (ev): -10.2030 -10.2025 -10.1734 -10.1667 -9.1205 -9.1143 -8.9471 -8.9449 -8.6787 -8.6749 -8.5149 -8.5111 -1.4383 -1.4342 -1.3125 -1.3118 2.2075 2.2240 2.2576 2.2633 3.5958 3.6356 3.7457 3.7803 3.9976 4.0504 4.0752 4.1648 4.4632 4.4789 4.5986 4.6281 5.6013 5.6952 5.7419 5.7498 6.0998 6.1319 6.1321 6.1655 6.4384 6.4416 6.5596 6.5976 6.7945 6.8767 6.9105 6.9194 7.5591 7.5693 7.6487 7.6765 11.3366 11.4325 11.6283 11.6680 13.1566 13.3185 13.4645 13.4852 14.2250 14.2519 k = 0.5729 0.3258-0.0414 ( 4099 PWs) bands (ev): -10.2134 -10.2134 -10.1905 -10.1843 -9.0909 -9.0841 -8.9348 -8.9325 -8.6718 -8.6684 -8.5258 -8.5219 -1.4282 -1.4243 -1.3213 -1.3205 2.1936 2.2108 2.2425 2.2504 3.5858 3.6186 3.7149 3.7539 3.9766 4.0243 4.0454 4.1279 4.4943 4.5167 4.6152 4.6412 5.5881 5.6730 5.7153 5.7218 6.1524 6.1772 6.1826 6.2140 6.4605 6.4607 6.5591 6.5980 6.7897 6.8697 6.9076 6.9237 7.5675 7.5794 7.6437 7.6712 11.3547 11.4419 11.6094 11.6464 13.1751 13.3293 13.4678 13.4877 14.2673 14.2940 k = 0.5681 0.3230-0.0253 ( 4099 PWs) bands (ev): -10.2245 -10.2241 -10.2067 -10.2010 -9.0611 -9.0539 -8.9221 -8.9197 -8.6658 -8.6629 -8.5371 -8.5331 -1.4189 -1.4152 -1.3293 -1.3285 2.1816 2.1985 2.2290 2.2380 3.5740 3.5999 3.6845 3.7263 3.9538 3.9969 4.0147 4.0900 4.5284 4.5561 4.6365 4.6586 5.5709 5.6477 5.6855 5.6911 6.2015 6.2195 6.2319 6.2596 6.4792 6.4813 6.5627 6.6022 6.7915 6.8613 6.9128 6.9296 7.5748 7.5880 7.6389 7.6658 11.3680 11.4456 11.5889 11.6232 13.1992 13.3433 13.4745 13.4927 14.3092 14.3350 k = 0.5632 0.3203-0.0092 ( 4097 PWs) bands (ev): -10.2354 -10.2347 -10.2218 -10.2165 -9.0313 -9.0238 -8.9092 -8.9066 -8.6609 -8.6585 -8.5488 -8.5446 -1.4104 -1.4069 -1.3366 -1.3358 2.1717 2.1873 2.2173 2.2263 3.5609 3.5803 3.6550 3.6977 3.9300 3.9687 3.9833 4.0514 4.5652 4.5966 4.6619 4.6802 5.5508 5.6203 5.6534 5.6583 6.2422 6.2560 6.2776 6.2977 6.4999 6.5027 6.5733 6.6130 6.7992 6.8570 6.9203 6.9362 7.5811 7.5949 7.6345 7.6604 11.3765 11.4442 11.5671 11.5989 13.2281 13.3602 13.4841 13.5000 14.3500 14.3741 k = 0.5583 0.3175 0.0069 ( 4095 PWs) bands (ev): -10.2461 -10.2451 -10.2358 -10.2311 -9.0018 -8.9941 -8.8959 -8.8932 -8.6572 -8.6552 -8.5607 -8.5565 -1.4027 -1.3994 -1.3431 -1.3422 2.1638 2.1776 2.2071 2.2157 3.5468 3.5606 3.6267 3.6685 3.9057 3.9404 3.9516 4.0125 4.6043 4.6380 4.6909 4.7055 5.5285 5.5913 5.6196 5.6240 6.2715 6.2834 6.3152 6.3251 6.5267 6.5280 6.5933 6.6326 6.8115 6.8579 6.9281 6.9431 7.5863 7.6000 7.6304 7.6548 11.3806 11.4385 11.5444 11.5737 13.2609 13.3793 13.4963 13.5092 14.3891 14.4109 k = 0.5535 0.3147 0.0229 ( 4094 PWs) bands (ev): -10.2563 -10.2551 -10.2488 -10.2445 -8.9728 -8.9650 -8.8824 -8.8796 -8.6546 -8.6531 -8.5730 -8.5686 -1.3959 -1.3929 -1.3488 -1.3480 2.1576 2.1695 2.1986 2.2061 3.5321 3.5414 3.5997 3.6392 3.8814 3.9123 3.9200 3.9737 4.6454 4.6801 4.7225 4.7340 5.5045 5.5609 5.5845 5.5884 6.2895 6.2999 6.3401 6.3411 6.5609 6.5616 6.6231 6.6612 6.8271 6.8634 6.9358 6.9499 7.5904 7.6033 7.6266 7.6490 11.3810 11.4293 11.5214 11.5480 13.2965 13.4002 13.5107 13.5202 14.4260 14.4448 k = 0.5486 0.3120 0.0390 ( 4096 PWs) bands (ev): -10.2661 -10.2647 -10.2606 -10.2568 -8.9444 -8.9366 -8.8686 -8.8657 -8.6532 -8.6523 -8.5855 -8.5811 -1.3901 -1.3873 -1.3538 -1.3529 2.1532 2.1628 2.1914 2.1978 3.5172 3.5231 3.5744 3.6103 3.8576 3.8848 3.8891 3.9358 4.6881 4.7227 4.7564 4.7652 5.4791 5.5293 5.5483 5.5517 6.2985 6.3071 6.3475 6.3516 6.6021 6.6036 6.6604 6.6967 6.8445 6.8722 6.9429 6.9563 7.5932 7.6047 7.6234 7.6429 11.3783 11.4177 11.4984 11.5221 13.3338 13.4221 13.5265 13.5324 14.4601 14.4755 k = 0.5438 0.3092 0.0551 ( 4098 PWs) bands (ev): -10.2751 -10.2737 -10.2713 -10.2680 -8.9169 -8.9092 -8.8546 -8.8516 -8.6532 -8.6528 -8.5983 -8.5939 -1.3851 -1.3826 -1.3581 -1.3572 2.1502 2.1578 2.1855 2.1906 3.5024 3.5058 3.5509 3.5822 3.8344 3.8584 3.8594 3.8993 4.7322 4.7655 4.7920 4.7988 5.4525 5.4965 5.5114 5.5143 6.3013 6.3079 6.3470 6.3528 6.6489 6.6498 6.7020 6.7357 6.8629 6.8834 6.9493 6.9623 7.5949 7.6041 7.6204 7.6366 11.3732 11.4045 11.4759 11.4966 13.3718 13.4445 13.5430 13.5455 14.4911 14.5028 k = 0.5389 0.3064 0.0712 ( 4094 PWs) bands (ev): -10.2834 -10.2820 -10.2809 -10.2780 -8.8903 -8.8828 -8.8404 -8.8373 -8.6547 -8.6545 -8.6114 -8.6069 -1.3810 -1.3788 -1.3616 -1.3607 2.1486 2.1543 2.1808 2.1846 3.4881 3.4900 3.5295 3.5557 3.8124 3.8314 3.8335 3.8649 4.7772 4.8084 4.8288 4.8343 5.4247 5.4626 5.4739 5.4762 6.3003 6.3050 6.3421 6.3478 6.6976 6.6978 6.7448 6.7750 6.8817 6.8959 6.9550 6.9676 7.5954 7.6021 7.6174 7.6301 11.3665 11.3907 11.4542 11.4716 13.4094 13.4671 13.5589 13.5594 14.5186 14.5264 k = 0.5340 0.3037 0.0873 ( 4096 PWs) bands (ev): -10.2909 -10.2896 -10.2893 -10.2868 -8.8648 -8.8576 -8.8261 -8.8229 -8.6580 -8.6572 -8.6248 -8.6202 -1.3777 -1.3758 -1.3644 -1.3636 2.1481 2.1521 2.1769 2.1796 3.4746 3.4757 3.5104 3.5310 3.7919 3.8055 3.8103 3.8332 4.8229 4.8510 4.8665 4.8712 5.3958 5.4276 5.4359 5.4375 6.2973 6.3003 6.3348 6.3395 6.7446 6.7459 6.7862 6.8122 6.9007 6.9091 6.9600 6.9722 7.5947 7.5991 7.6140 7.6232 11.3591 11.3772 11.4336 11.4477 13.4455 13.4894 13.5721 13.5749 14.5425 14.5462 k = 0.5292 0.3009 0.1034 ( 4098 PWs) bands (ev): -10.2976 -10.2967 -10.2963 -10.2946 -8.8405 -8.8336 -8.8117 -8.8084 -8.6627 -8.6613 -8.6383 -8.6337 -1.3751 -1.3736 -1.3666 -1.3658 2.1486 2.1512 2.1737 2.1755 3.4623 3.4632 3.4933 3.5085 3.7732 3.7823 3.7892 3.8047 4.8689 4.8932 4.9049 4.9093 5.3659 5.3915 5.3976 5.3985 6.2934 6.2953 6.3263 6.3298 6.7890 6.7911 6.8242 6.8450 6.9201 6.9228 6.9642 6.9763 7.5932 7.5956 7.6099 7.6162 11.3517 11.3647 11.4143 11.4252 13.4795 13.5109 13.5844 13.5885 14.5625 14.5626 k = 0.5243 0.2982 0.1195 ( 4104 PWs) bands (ev): -10.3033 -10.3028 -10.3021 -10.3011 -8.8175 -8.8111 -8.7971 -8.7939 -8.6690 -8.6669 -8.6521 -8.6474 -1.3733 -1.3720 -1.3682 -1.3675 2.1497 2.1513 2.1711 2.1721 3.4516 3.4525 3.4784 3.4887 3.7566 3.7622 3.7705 3.7800 4.9148 4.9348 4.9436 4.9481 5.3351 5.3544 5.3591 5.3592 6.2896 6.2906 6.3175 6.3199 6.8293 6.8319 6.8571 6.8720 6.9368 6.9396 6.9679 6.9800 7.5910 7.5921 7.6053 7.6093 11.3451 11.3540 11.3967 11.4045 13.5104 13.5315 13.5952 13.5997 14.5752 14.5790 k = 0.5194 0.2954 0.1356 ( 4102 PWs) bands (ev): -10.3080 -10.3078 -10.3070 -10.3064 -8.7959 -8.7900 -8.7826 -8.7793 -8.6767 -8.6740 -8.6661 -8.6613 -1.3720 -1.3710 -1.3693 -1.3687 2.1514 2.1523 2.1687 2.1693 3.4430 3.4439 3.4654 3.4717 3.7424 3.7454 3.7544 3.7596 4.9602 4.9756 4.9825 4.9870 5.3034 5.3167 5.3200 5.3205 6.2864 6.2868 6.3091 6.3105 6.8637 6.8664 6.8837 6.8929 6.9511 6.9584 6.9714 6.9835 7.5885 7.5888 7.6003 7.6025 11.3398 11.3454 11.3809 11.3860 13.5377 13.5506 13.6038 13.6079 14.5847 14.5918 k = 0.5146 0.2926 0.1517 ( 4105 PWs) bands (ev): -10.3117 -10.3116 -10.3109 -10.3106 -8.7757 -8.7704 -8.7680 -8.7648 -8.6860 -8.6825 -8.6801 -8.6752 -1.3711 -1.3704 -1.3700 -1.3694 2.1534 2.1538 2.1666 2.1668 3.4368 3.4376 3.4544 3.4576 3.7310 3.7323 3.7414 3.7437 5.0046 5.0154 5.0209 5.0253 5.2712 5.2789 5.2814 5.2819 6.2842 6.2843 6.3015 6.3022 6.8910 6.8932 6.9036 6.9083 6.9646 6.9749 6.9751 6.9872 7.5861 7.5861 7.5953 7.5964 11.3364 11.3395 11.3672 11.3701 13.5611 13.5679 13.6096 13.6126 14.5912 14.5952 k = 0.5097 0.2899 0.1677 ( 4106 PWs) bands (ev): -10.3143 -10.3143 -10.3138 -10.3137 -8.7571 -8.7534 -8.7526 -8.7505 -8.6968 -8.6943 -8.6924 -8.6891 -1.3706 -1.3703 -1.3702 -1.3699 2.1556 2.1557 2.1644 2.1645 3.4332 3.4337 3.4454 3.4467 3.7225 3.7229 3.7318 3.7325 5.0469 5.0532 5.0578 5.0614 5.2395 5.2422 5.2441 5.2443 6.2833 6.2833 6.2950 6.2952 6.9101 6.9112 6.9174 6.9189 6.9759 6.9795 6.9874 6.9914 7.5844 7.5845 7.5908 7.5912 11.3352 11.3365 11.3557 11.3571 13.5802 13.5829 13.6120 13.6136 14.5953 14.5966 k = 0.5049 0.2871 0.1838 ( 4106 PWs) bands (ev): -10.3158 -10.3158 -10.3155 -10.3155 -8.7403 -8.7392 -8.7372 -8.7370 -8.7089 -8.7084 -8.7030 -8.7023 -1.3704 -1.3703 -1.3702 -1.3701 2.1579 2.1579 2.1623 2.1623 3.4324 3.4325 3.4386 3.4389 3.7173 3.7173 3.7257 3.7258 5.0840 5.0863 5.0899 5.0917 5.2097 5.2103 5.2113 5.2124 6.2839 6.2839 6.2898 6.2898 6.9213 6.9214 6.9248 6.9249 6.9832 6.9836 6.9948 6.9953 7.5839 7.5839 7.5872 7.5872 11.3364 11.3368 11.3467 11.3470 13.5948 13.5954 13.6106 13.6110 14.5974 14.5976 k = 0.5000 0.2843 0.1999 ( 4110 PWs) bands (ev): -10.3162 -10.3162 -10.3162 -10.3162 -8.7288 -8.7288 -8.7288 -8.7288 -8.7187 -8.7187 -8.7101 -8.7101 -1.3703 -1.3703 -1.3703 -1.3703 2.1601 2.1601 2.1601 2.1601 3.4342 3.4342 3.4342 3.4342 3.7155 3.7155 3.7237 3.7237 5.1039 5.1039 5.1039 5.1039 5.1935 5.1935 5.1975 5.1975 6.2860 6.2860 6.2860 6.2860 6.9259 6.9259 6.9259 6.9259 6.9855 6.9855 6.9971 6.9971 7.5848 7.5848 7.5848 7.5848 11.3403 11.3403 11.3403 11.3403 13.6049 13.6049 13.6049 13.6049 14.5980 14.5980 k = 0.5000-0.2975-0.2092 ( 4104 PWs) bands (ev): -10.2751 -10.2751 -10.2495 -10.2495 -8.8165 -8.8165 -8.8029 -8.8029 -8.7141 -8.7141 -8.7118 -8.7118 -1.2396 -1.2396 -1.2392 -1.2392 2.0403 2.0403 2.0451 2.0451 3.1938 3.1938 3.3938 3.3938 3.7453 3.7453 3.7520 3.7520 4.7943 4.7943 4.8170 4.8170 5.2272 5.2272 5.2414 5.2414 6.6363 6.6363 6.7222 6.7222 6.9337 6.9337 6.9670 6.9670 7.1317 7.1317 7.1476 7.1476 7.3767 7.3767 7.4273 7.4273 11.1793 11.1793 11.3869 11.3869 13.7481 13.7481 13.8284 13.8284 14.9361 14.9361 k = 0.5101-0.2861-0.2012 ( 4112 PWs) bands (ev): -10.2747 -10.2746 -10.2494 -10.2487 -8.8323 -8.8185 -8.8022 -8.7884 -8.7291 -8.7273 -8.6992 -8.6966 -1.2421 -1.2419 -1.2378 -1.2374 2.0355 2.0393 2.0465 2.0524 3.1817 3.2095 3.3882 3.4020 3.7310 3.7361 3.7632 3.7719 4.7579 4.7782 4.8298 4.8557 5.1914 5.2058 5.2628 5.2769 6.6283 6.6404 6.7067 6.7346 6.9255 6.9409 6.9554 6.9771 7.1255 7.1349 7.1402 7.1522 7.3732 7.3802 7.4242 7.4302 11.1730 11.1880 11.3841 11.3923 13.7231 13.7701 13.8003 13.8540 14.9167 14.9185 k = 0.5202-0.2747-0.1932 ( 4115 PWs) bands (ev): -10.2732 -10.2729 -10.2482 -10.2468 -8.8495 -8.8353 -8.7898 -8.7752 -8.7434 -8.7429 -8.6844 -8.6818 -1.2455 -1.2455 -1.2367 -1.2362 2.0322 2.0349 2.0542 2.0611 3.1731 3.2284 3.3850 3.4127 3.7204 3.7242 3.7845 3.7956 4.7209 4.7395 4.8644 4.8943 5.1554 5.1701 5.2981 5.3121 6.6163 6.6401 6.6884 6.7437 6.9164 6.9423 6.9469 6.9853 7.1167 7.1304 7.1355 7.1536 7.3702 7.3834 7.4213 7.4329 11.1689 11.1991 11.3835 11.4002 13.6956 13.7702 13.7886 13.8766 14.8932 14.8941 k = 0.5303-0.2633-0.1852 ( 4111 PWs) bands (ev): -10.2706 -10.2703 -10.2460 -10.2440 -8.8679 -8.8532 -8.7817 -8.7649 -8.7571 -8.7549 -8.6698 -8.6673 -1.2501 -1.2498 -1.2362 -1.2355 2.0306 2.0320 2.0633 2.0711 3.1681 3.2504 3.3843 3.4260 3.7134 3.7164 3.8093 3.8227 4.6835 4.7010 4.8976 4.9323 5.1197 5.1350 5.3330 5.3468 6.6006 6.6352 6.6670 6.7491 6.9067 6.9280 6.9514 6.9911 7.1055 7.1185 7.1338 7.1517 7.3680 7.3860 7.4189 7.4351 11.1669 11.2127 11.3851 11.4106 13.6663 13.7385 13.8031 13.8958 14.8665 14.8665 k = 0.5404-0.2520-0.1772 ( 4110 PWs) bands (ev): -10.2671 -10.2666 -10.2427 -10.2402 -8.8876 -8.8723 -8.7852 -8.7761 -8.7561 -8.7510 -8.6556 -8.6532 -1.2556 -1.2552 -1.2361 -1.2353 2.0306 2.0308 2.0737 2.0823 3.1669 3.2751 3.3858 3.4417 3.7100 3.7128 3.8372 3.8529 4.6459 4.6629 4.9283 4.9691 5.0852 5.1014 5.3675 5.3811 6.5809 6.6252 6.6427 6.7499 6.8965 6.9128 6.9541 6.9937 7.0925 7.1052 7.1308 7.1469 7.3671 7.3880 7.4171 7.4368 11.1666 11.2287 11.3885 11.4236 13.6356 13.7057 13.8129 13.9112 14.8364 14.8375 k = 0.5506-0.2406-0.1692 ( 4106 PWs) bands (ev): -10.2627 -10.2618 -10.2383 -10.2356 -8.9085 -8.8925 -8.7977 -8.7920 -8.7494 -8.7415 -8.6416 -8.6395 -1.2623 -1.2615 -1.2364 -1.2356 2.0314 2.0324 2.0855 2.0948 3.1695 3.3024 3.3897 3.4598 3.7101 3.7132 3.8682 3.8860 4.6081 4.6254 4.9536 4.9992 5.0572 5.0723 5.4015 5.4148 6.5573 6.6094 6.6153 6.7449 6.8862 6.8975 6.9545 6.9920 7.0786 7.0908 7.1276 7.1398 7.3674 7.3897 7.4163 7.4381 11.1677 11.2471 11.3933 11.4390 13.6039 13.6721 13.8178 13.9222 14.8049 14.8071 k = 0.5607-0.2292-0.1612 ( 4104 PWs) bands (ev): -10.2574 -10.2560 -10.2328 -10.2301 -8.9306 -8.9139 -8.8124 -8.8080 -8.7418 -8.7330 -8.6279 -8.6261 -1.2701 -1.2690 -1.2369 -1.2360 2.0337 2.0360 2.0985 2.1085 3.1756 3.3318 3.3957 3.4803 3.7138 3.7175 3.9019 3.9215 4.5705 4.5887 4.9644 4.9947 5.0572 5.0639 5.4350 5.4480 6.5297 6.5849 6.5876 6.7327 6.8758 6.8828 6.9517 6.9845 7.0648 7.0761 7.1254 7.1313 7.3687 7.3915 7.4166 7.4391 11.1699 11.2676 11.3991 11.4566 13.5716 13.6383 13.8174 13.9287 14.7725 14.7761 k = 0.5708-0.2179-0.1532 ( 4105 PWs) bands (ev): -10.2514 -10.2490 -10.2263 -10.2239 -8.9538 -8.9365 -8.8274 -8.8239 -8.7349 -8.7257 -8.6145 -8.6130 -1.2790 -1.2777 -1.2375 -1.2367 2.0380 2.0415 2.1127 2.1234 3.1853 3.3632 3.4037 3.5028 3.7207 3.7255 3.9379 3.9590 4.5333 4.5533 4.9508 4.9639 5.0659 5.0971 5.4679 5.4805 6.4982 6.5513 6.5595 6.7122 6.8654 6.8695 6.9445 6.9702 7.0521 7.0618 7.1227 7.1252 7.3700 7.3944 7.4180 7.4400 11.1726 11.2901 11.4055 11.4762 13.5392 13.6044 13.8115 13.9304 14.7398 14.7449 k = 0.5809-0.2065-0.1452 ( 4109 PWs) bands (ev): -10.2446 -10.2409 -10.2186 -10.2170 -8.9780 -8.9600 -8.8425 -8.8396 -8.7291 -8.7197 -8.6013 -8.6002 -1.2891 -1.2874 -1.2383 -1.2374 2.0443 2.0490 2.1282 2.1394 3.1983 3.3961 3.4136 3.5272 3.7308 3.7367 3.9760 3.9980 4.4969 4.5196 4.9223 4.9292 5.0892 5.1346 5.5002 5.5123 6.4628 6.5148 6.5251 6.6831 6.8548 6.8574 6.9316 6.9492 7.0411 7.0492 7.1151 7.1273 7.3705 7.3996 7.4202 7.4414 11.1755 11.3142 11.4119 11.4975 13.5070 13.5709 13.8003 13.9272 14.7072 14.7140 k = 0.5910-0.1951-0.1372 ( 4111 PWs) bands (ev): -10.2373 -10.2317 -10.2100 -10.2094 -9.0032 -8.9846 -8.8575 -8.8551 -8.7244 -8.7150 -8.5884 -8.5876 -1.3004 -1.2983 -1.2389 -1.2380 2.0526 2.0586 2.1446 2.1563 3.2146 3.4254 3.4303 3.5533 3.7437 3.7508 4.0157 4.0380 4.4617 4.4879 4.8890 4.8939 5.1172 5.1731 5.5317 5.5435 6.4237 6.4756 6.4849 6.6462 6.8435 6.8456 6.9119 6.9223 7.0317 7.0390 7.1093 7.1313 7.3697 7.4074 7.4227 7.4442 11.1780 11.3398 11.4177 11.5201 13.4755 13.5381 13.7842 13.9194 14.6746 14.6829 k = 0.6011-0.1837-0.1292 ( 4110 PWs) bands (ev): -10.2293 -10.2215 -10.2016 -10.2001 -9.0290 -9.0100 -8.8722 -8.8702 -8.7210 -8.7116 -8.5758 -8.5753 -1.3126 -1.3102 -1.2395 -1.2386 2.0631 2.0703 2.1619 2.1742 3.2339 3.4389 3.4655 3.5806 3.7592 3.7674 4.0563 4.0785 4.4282 4.4590 4.8542 4.8589 5.1467 5.2123 5.5625 5.5739 6.3811 6.4338 6.4393 6.6026 6.8311 6.8326 6.8861 6.8913 7.0236 7.0313 7.1055 7.1368 7.3681 7.4177 7.4247 7.4493 11.1798 11.3664 11.4223 11.5439 13.4448 13.5064 13.7638 13.9075 14.6415 14.6509 k = 0.6112-0.1724-0.1212 ( 4106 PWs) bands (ev): -10.2210 -10.2102 -10.1932 -10.1893 -9.0555 -9.0361 -8.8866 -8.8850 -8.7187 -8.7094 -8.5635 -8.5633 -1.3260 -1.3232 -1.2398 -1.2389 2.0758 2.0842 2.1800 2.1927 3.2559 3.4539 3.5012 3.6088 3.7768 3.7859 4.0971 4.1187 4.3971 4.4335 4.8192 4.8245 5.1769 5.2518 5.5924 5.6034 6.3354 6.3891 6.3900 6.5533 6.8161 6.8161 6.8560 6.8588 7.0166 7.0254 7.1039 7.1435 7.3661 7.4259 7.4300 7.4571 11.1802 11.3938 11.4252 11.5682 13.4154 13.4761 13.7401 13.8919 14.6066 14.6163 k = 0.6213-0.1610-0.1132 ( 4106 PWs) bands (ev): -10.2123 -10.1978 -10.1847 -10.1775 -9.0824 -9.0627 -8.9008 -8.8995 -8.7176 -8.7085 -8.5514 -8.5514 -1.3403 -1.3372 -1.2398 -1.2389 2.0907 2.1004 2.1985 2.2116 3.2804 3.4701 3.5372 3.6374 3.7961 3.8061 4.1371 4.1579 4.3693 4.4121 4.7847 4.7911 5.2073 5.2916 5.6212 5.6319 6.2872 6.3352 6.3446 6.4994 6.7912 6.7948 6.8265 6.8300 7.0102 7.0207 7.1042 7.1511 7.3642 7.4268 7.4442 7.4674 11.1790 11.4215 11.4257 11.5928 13.3875 13.4476 13.7140 13.8735 14.5684 14.5774 k = 0.6315-0.1496-0.1052 ( 4102 PWs) bands (ev): -10.2035 -10.1844 -10.1760 -10.1647 -9.1095 -9.0896 -8.9145 -8.9135 -8.7177 -8.7087 -8.5399 -8.5396 -1.3554 -1.3519 -1.2395 -1.2386 2.1079 2.1189 2.2172 2.2307 3.3072 3.4874 3.5729 3.6656 3.8165 3.8275 4.1750 4.1950 4.3463 4.3959 4.7513 4.7591 5.2378 5.3314 5.6485 5.6593 6.2369 6.2787 6.2983 6.4417 6.7553 6.7621 6.8034 6.8077 7.0042 7.0164 7.1062 7.1592 7.3625 7.4275 7.4599 7.4798 11.1756 11.4232 11.4494 11.6172 13.3614 13.4211 13.6869 13.8531 14.5255 14.5326 k = 0.6416-0.1382-0.0972 ( 4092 PWs) bands (ev): -10.1947 -10.1700 -10.1675 -10.1508 -9.1365 -9.1165 -8.9279 -8.9272 -8.7189 -8.7100 -8.5285 -8.5281 -1.3713 -1.3675 -1.2387 -1.2377 2.1273 2.1396 2.2356 2.2496 3.3359 3.5052 3.6079 3.6929 3.8375 3.8503 4.2081 4.2288 4.3304 4.3858 4.7195 4.7291 5.2682 5.3710 5.6740 5.6854 6.1851 6.2212 6.2519 6.3812 6.7129 6.7213 6.7841 6.7881 6.9983 7.0123 7.1095 7.1678 7.3615 7.4282 7.4771 7.4941 11.1698 11.4173 11.4769 11.6409 13.3375 13.3971 13.6598 13.8316 14.4769 14.4819 k = 0.6517-0.1269-0.0892 ( 4092 PWs) bands (ev): -10.1862 -10.1593 -10.1547 -10.1360 -9.1632 -9.1433 -8.9409 -8.9404 -8.7211 -8.7124 -8.5175 -8.5169 -1.3878 -1.3837 -1.2375 -1.2365 2.1490 2.1626 2.2534 2.2678 3.3663 3.5232 3.6417 3.7187 3.8586 3.8743 4.2320 4.2573 4.3258 4.3833 4.6902 4.7014 5.2984 5.4101 5.6968 5.7098 6.1318 6.1650 6.2065 6.3185 6.6675 6.6769 6.7649 6.7682 6.9924 7.0079 7.1140 7.1767 7.3611 7.4291 7.4953 7.5101 11.1613 11.4074 11.5039 11.6636 13.3160 13.3757 13.6340 13.8098 14.4232 14.4265 k = 0.6618-0.1155-0.0812 ( 4098 PWs) bands (ev): -10.1781 -10.1518 -10.1383 -10.1202 -9.1893 -9.1696 -8.9535 -8.9532 -8.7243 -8.7158 -8.5068 -8.5059 -1.4048 -1.4005 -1.2357 -1.2347 2.1727 2.1878 2.2701 2.2849 3.3981 3.5408 3.6736 3.7427 3.8795 3.8997 4.2436 4.2784 4.3350 4.3894 4.6642 4.6770 5.3279 5.4479 5.7156 5.7322 6.0766 6.1137 6.1633 6.2545 6.6205 6.6307 6.7448 6.7471 6.9862 7.0031 7.1192 7.1858 7.3614 7.4301 7.5146 7.5274 11.1500 11.3934 11.5299 11.6849 13.2971 13.3574 13.6103 13.7884 14.3657 14.3682 k = 0.6719-0.1041-0.0732 ( 4100 PWs) bands (ev): -10.1707 -10.1451 -10.1211 -10.1036 -9.2144 -9.1952 -8.9657 -8.9655 -8.7285 -8.7201 -8.4963 -8.4953 -1.4221 -1.4176 -1.2333 -1.2324 2.1986 2.2151 2.2852 2.3003 3.4308 3.5575 3.7029 3.7650 3.8999 3.9264 4.2474 4.2915 4.3525 4.4034 4.6427 4.6564 5.3564 5.4834 5.7285 5.7518 6.0199 6.0714 6.1240 6.1898 6.5731 6.5839 6.7234 6.7247 6.9795 6.9978 7.1250 7.1951 7.3622 7.4310 7.5348 7.5459 11.1358 11.3749 11.5548 11.7043 13.2811 13.3424 13.5898 13.7679 14.3059 14.3087 k = 0.6820-0.0927-0.0652 ( 4103 PWs) bands (ev): -10.1643 -10.1395 -10.1029 -10.0860 -9.2381 -9.2195 -8.9774 -8.9773 -8.7335 -8.7253 -8.4862 -8.4850 -1.4397 -1.4350 -1.2303 -1.2294 2.2264 2.2444 2.2981 2.3135 3.4641 3.5729 3.7292 3.7859 3.9198 3.9540 4.2500 4.2983 4.3700 4.4218 4.6271 4.6405 5.3829 5.5148 5.7333 5.7680 5.9641 6.0412 6.0905 6.1255 6.5259 6.5373 6.7005 6.7008 6.9724 6.9918 7.1312 7.2043 7.3635 7.4315 7.5556 7.5655 11.1188 11.3522 11.5784 11.7217 13.2682 13.3308 13.5729 13.7486 14.2456 14.2496 k = 0.6921-0.0814-0.0572 ( 4105 PWs) bands (ev): -10.1592 -10.1355 -10.0839 -10.0676 -9.2600 -9.2423 -8.9887 -8.9886 -8.7393 -8.7313 -8.4764 -8.4751 -1.4574 -1.4525 -1.2267 -1.2257 2.2558 2.2751 2.3087 2.3241 3.4976 3.5868 3.7521 3.8059 3.9394 3.9820 4.2540 4.3007 4.3836 4.4411 4.6183 4.6298 5.4065 5.5393 5.7288 5.7802 5.9119 6.0259 6.0598 6.0675 6.4800 6.4919 6.6755 6.6764 6.9646 6.9851 7.1375 7.2135 7.3650 7.4315 7.5769 7.5859 11.0994 11.3252 11.6004 11.7367 13.2585 13.3229 13.5602 13.7309 14.1862 14.1921 k = 0.7022-0.0700-0.0492 ( 4104 PWs) bands (ev): -10.1558 -10.1334 -10.0640 -10.0484 -9.2798 -9.2633 -8.9995 -8.9993 -8.7459 -8.7381 -8.4669 -8.4654 -1.4749 -1.4699 -1.2223 -1.2213 2.2858 2.3029 2.3207 2.3322 3.5306 3.5992 3.7718 3.8252 3.9583 4.0097 4.2593 4.3002 4.3925 4.4585 4.6164 4.6244 5.4255 5.5521 5.7176 5.7883 5.8670 6.0004 6.0254 6.0502 6.4362 6.4486 6.6490 6.6509 6.9561 6.9776 7.1437 7.2225 7.3664 7.4306 7.5985 7.6069 11.0779 11.2946 11.6209 11.7493 13.2520 13.3186 13.5519 13.7146 14.1292 14.1374 k = 0.7123-0.0586-0.0412 ( 4103 PWs) bands (ev): -10.1543 -10.1335 -10.0434 -10.0284 -9.2971 -9.2819 -9.0098 -9.0095 -8.7531 -8.7455 -8.4577 -8.4562 -1.4922 -1.4872 -1.2172 -1.2162 2.3120 2.3122 2.3416 2.3492 3.5626 3.6105 3.7890 3.8435 3.9762 4.0361 4.2647 4.2978 4.3983 4.4726 4.6200 4.6238 5.4384 5.5486 5.7035 5.7934 5.8348 5.9427 6.0372 6.0447 6.3954 6.4083 6.6213 6.6243 6.9470 6.9693 7.1496 7.2311 7.3673 7.4285 7.6203 7.6283 11.0548 11.2609 11.6397 11.7596 13.2486 13.3181 13.5481 13.6997 14.0761 14.0867 k = 0.7225-0.0473-0.0332 ( 4105 PWs) bands (ev): -10.1552 -10.1362 -10.0220 -10.0077 -9.3113 -9.2977 -9.0196 -9.0192 -8.7609 -8.7536 -8.4489 -8.4472 -1.5092 -1.5041 -1.2113 -1.2103 2.3106 2.3214 2.3651 2.3851 3.5926 3.6210 3.8049 3.8600 3.9921 4.0606 4.2686 4.2945 4.4038 4.4823 4.6268 4.6268 5.4438 5.5285 5.6868 5.7971 5.8201 5.8905 6.0485 6.0577 6.3585 6.3720 6.5926 6.5967 6.9370 6.9601 7.1551 7.2393 7.3673 7.4250 7.6418 7.6498 11.0309 11.2247 11.6572 11.7675 13.2482 13.3210 13.5485 13.6857 14.0280 14.0408 k = 0.7326-0.0359-0.0252 ( 4104 PWs) bands (ev): -10.1587 -10.1417 -9.9999 -9.9863 -9.3223 -9.3106 -9.0288 -9.0283 -8.7693 -8.7622 -8.4405 -8.4387 -1.5257 -1.5206 -1.2046 -1.2036 2.3036 2.3169 2.3986 2.4233 3.6194 3.6307 3.8207 3.8739 4.0051 4.0826 4.2697 4.2911 4.4114 4.4878 4.6321 4.6349 5.4414 5.4973 5.6679 5.7963 5.8220 5.8504 6.0595 6.0838 6.3266 6.3407 6.5631 6.5682 6.9261 6.9501 7.1599 7.2468 7.3662 7.4197 7.6631 7.6713 11.0068 11.1870 11.6733 11.7734 13.2507 13.3274 13.5529 13.6724 13.9863 14.0006 k = 0.7427-0.0245-0.0172 ( 4109 PWs) bands (ev): -10.1650 -10.1502 -9.9772 -9.9643 -9.3298 -9.3201 -9.0375 -9.0369 -8.7782 -8.7712 -8.4324 -8.4305 -1.5415 -1.5365 -1.1971 -1.1961 2.2912 2.3055 2.4349 2.4628 3.6396 3.6413 3.8381 3.8843 4.0146 4.1013 4.2674 4.2880 4.4219 4.4893 4.6383 4.6431 5.4321 5.4608 5.6512 5.7758 5.8339 5.8398 6.0757 6.1133 6.3004 6.3155 6.5330 6.5389 6.9143 6.9392 7.1638 7.2536 7.3636 7.4124 7.6838 7.6925 10.9834 11.1488 11.6885 11.7778 13.2559 13.3369 13.5608 13.6592 13.9518 13.9668 k = 0.7528-0.0131-0.0092 ( 4117 PWs) bands (ev): -10.1744 -10.1618 -9.9538 -9.9417 -9.3335 -9.3260 -9.0455 -9.0449 -8.7875 -8.7807 -8.4247 -8.4226 -1.5566 -1.5517 -1.1887 -1.1877 2.2736 2.2884 2.4724 2.5035 3.6466 3.6564 3.8587 3.8908 4.0201 4.1160 4.2616 4.2849 4.4346 4.4879 4.6448 4.6511 5.4179 5.4229 5.6407 5.7445 5.8505 5.8505 6.0955 6.1439 6.2807 6.2975 6.5024 6.5091 6.9014 6.9272 7.1666 7.2593 7.3592 7.4029 7.7038 7.7131 10.9615 11.1111 11.7030 11.7809 13.2635 13.3494 13.5712 13.6460 13.9253 13.9403 Writing output data file AlBiO3.save init_run : 4.51s CPU 12.33s WALL ( 1 calls) electrons : 824.57s CPU 832.11s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.24s CPU 1.94s WALL ( 1 calls) Called by electrons: c_bands : 824.49s CPU 831.89s WALL ( 1 calls) v_of_rho : 0.04s CPU 0.87s WALL ( 1 calls) v_h : 0.00s CPU 0.08s WALL ( 1 calls) v_xc : 0.03s CPU 0.52s WALL ( 1 calls) newd : 0.52s CPU 0.59s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.11s WALL ( 265 calls) cegterg : 789.76s CPU 794.64s WALL ( 676 calls) Called by sum_band: Called by *egterg: h_psi : 282.05s CPU 289.94s WALL ( 12115 calls) s_psi : 31.74s CPU 32.05s WALL ( 12115 calls) g_psi : 0.71s CPU 0.70s WALL ( 11174 calls) cdiaghg : 366.29s CPU 364.00s WALL ( 11439 calls) cegterg:over : 65.63s CPU 62.72s WALL ( 11174 calls) cegterg:upda : 15.85s CPU 19.23s WALL ( 11174 calls) cegterg:last : 12.36s CPU 13.03s WALL ( 1740 calls) Called by h_psi: h_psi:vloc : 205.60s CPU 211.74s WALL ( 12115 calls) h_psi:vnl : 76.14s CPU 77.32s WALL ( 12115 calls) add_vuspsi : 25.22s CPU 29.06s WALL ( 12115 calls) General routines calbec : 50.87s CPU 48.16s WALL ( 12115 calls) fft : 0.79s CPU 1.48s WALL ( 19 calls) ffts : 0.05s CPU 0.54s WALL ( 4 calls) fftw : 192.10s CPU 197.11s WALL ( 1293640 calls) interpolate : 0.11s CPU 0.61s WALL ( 4 calls) davcio : 0.04s CPU 0.84s WALL ( 530 calls) Parallel routines fft_scatter : 118.37s CPU 123.41s WALL ( 1293663 calls) PWSCF : 14m35.90s CPU 15m44.57s WALL This run was terminated on: 23:49:39 22Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=