Program PWSCF v.5.1.1 starts on 3Nov2015 at 19:33:41 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: ./Bi2CO5.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 72 41 12 1428 615 102 Max 73 42 13 1429 636 103 Sum 3467 1995 595 68575 29941 4907 bravais-lattice index = 14 lattice parameter (alat) = 13.9142 a.u. unit-cell volume = 688.7405 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.914175 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.862445 celldm(5)= -0.862231 celldm(6)= 0.724676 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.724676 0.689090 0.000000 ) a(3) = ( -0.862231 -0.344813 0.371028 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.051641 1.346559 ) b(2) = ( 0.000000 1.451189 1.348652 ) b(3) = ( 0.000000 0.000000 2.695211 ) 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 C read from file: /home/autes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Bi 5.00 208.98040 Bi( 1.00) C 4.00 12.01070 C( 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= 399 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025063 k( 2) = ( -0.0061350 0.0153548 0.0165479), wk = 0.0025063 k( 3) = ( -0.0122700 0.0307097 0.0330958), wk = 0.0025063 k( 4) = ( -0.0184049 0.0460645 0.0496437), wk = 0.0025063 k( 5) = ( -0.0245399 0.0614193 0.0661917), wk = 0.0025063 k( 6) = ( -0.0306749 0.0767741 0.0827396), wk = 0.0025063 k( 7) = ( -0.0368099 0.0921289 0.0992875), wk = 0.0025063 k( 8) = ( -0.0429449 0.1074838 0.1158354), wk = 0.0025063 k( 9) = ( -0.0490799 0.1228386 0.1323833), wk = 0.0025063 k( 10) = ( -0.0552149 0.1381934 0.1489313), wk = 0.0025063 k( 11) = ( -0.0613498 0.1535482 0.1654792), wk = 0.0025063 k( 12) = ( -0.0674848 0.1689030 0.1820271), wk = 0.0025063 k( 13) = ( -0.0736198 0.1842579 0.1985750), wk = 0.0025063 k( 14) = ( -0.0797548 0.1996127 0.2151229), wk = 0.0025063 k( 15) = ( -0.0858898 0.2149675 0.2316708), wk = 0.0025063 k( 16) = ( -0.0920248 0.2303223 0.2482188), wk = 0.0025063 k( 17) = ( -0.0981597 0.2456772 0.2647667), wk = 0.0025063 k( 18) = ( -0.1042947 0.2610320 0.2813146), wk = 0.0025063 k( 19) = ( -0.1104297 0.2763868 0.2978625), wk = 0.0025063 k( 20) = ( -0.1165647 0.2917417 0.3144104), wk = 0.0025063 k( 21) = ( -0.1226997 0.3070965 0.3309583), wk = 0.0025063 k( 22) = ( -0.1288347 0.3224513 0.3475063), wk = 0.0025063 k( 23) = ( -0.1349696 0.3378061 0.3640542), wk = 0.0025063 k( 24) = ( -0.1411046 0.3531609 0.3806021), wk = 0.0025063 k( 25) = ( -0.1472396 0.3685158 0.3971500), wk = 0.0025063 k( 26) = ( -0.1533746 0.3838706 0.4136979), wk = 0.0025063 k( 27) = ( -0.1595096 0.3992254 0.4302459), wk = 0.0025063 k( 28) = ( -0.1656446 0.4145802 0.4467938), wk = 0.0025063 k( 29) = ( -0.1717796 0.4299350 0.4633417), wk = 0.0025063 k( 30) = ( -0.1779145 0.4452899 0.4798896), wk = 0.0025063 k( 31) = ( -0.1840495 0.4606447 0.4964375), wk = 0.0025063 k( 32) = ( -0.1901845 0.4759995 0.5129854), wk = 0.0025063 k( 33) = ( -0.1963195 0.4913543 0.5295334), wk = 0.0025063 k( 34) = ( -0.2024545 0.5067092 0.5460813), wk = 0.0025063 k( 35) = ( -0.2085895 0.5220640 0.5626292), wk = 0.0025063 k( 36) = ( -0.2147244 0.5374188 0.5791771), wk = 0.0025063 k( 37) = ( -0.2208594 0.5527737 0.5957250), wk = 0.0025063 k( 38) = ( -0.2269944 0.5681285 0.6122729), wk = 0.0025063 k( 39) = ( -0.2331294 0.5834833 0.6288208), wk = 0.0025063 k( 40) = ( -0.2392644 0.5988381 0.6453688), wk = 0.0025063 k( 41) = ( -0.2453994 0.6141929 0.6619167), wk = 0.0025063 k( 42) = ( -0.2515344 0.6295478 0.6784646), wk = 0.0025063 k( 43) = ( -0.2576693 0.6449026 0.6950125), wk = 0.0025063 k( 44) = ( -0.2638043 0.6602574 0.7115604), wk = 0.0025063 k( 45) = ( -0.2699393 0.6756122 0.7281084), wk = 0.0025063 k( 46) = ( -0.2699393 0.6756122 0.7281084), wk = 0.0025063 k( 47) = ( -0.2638859 0.6604616 0.7444109), wk = 0.0025063 k( 48) = ( -0.2578325 0.6453109 0.7607135), wk = 0.0025063 k( 49) = ( -0.2517791 0.6301602 0.7770160), wk = 0.0025063 k( 50) = ( -0.2457256 0.6150096 0.7933186), wk = 0.0025063 k( 51) = ( -0.2396722 0.5998589 0.8096212), wk = 0.0025063 k( 52) = ( -0.2336188 0.5847082 0.8259237), wk = 0.0025063 k( 53) = ( -0.2275654 0.5695576 0.8422263), wk = 0.0025063 k( 54) = ( -0.2215120 0.5544069 0.8585288), wk = 0.0025063 k( 55) = ( -0.2154586 0.5392562 0.8748314), wk = 0.0025063 k( 56) = ( -0.2094052 0.5241056 0.8911339), wk = 0.0025063 k( 57) = ( -0.2033517 0.5089549 0.9074365), wk = 0.0025063 k( 58) = ( -0.1972983 0.4938042 0.9237391), wk = 0.0025063 k( 59) = ( -0.1912449 0.4786536 0.9400416), wk = 0.0025063 k( 60) = ( -0.1851915 0.4635029 0.9563442), wk = 0.0025063 k( 61) = ( -0.1791381 0.4483522 0.9726467), wk = 0.0025063 k( 62) = ( -0.1730847 0.4332016 0.9889493), wk = 0.0025063 k( 63) = ( -0.1670313 0.4180509 1.0052519), wk = 0.0025063 k( 64) = ( -0.1609779 0.4029003 1.0215544), wk = 0.0025063 k( 65) = ( -0.1549244 0.3877496 1.0378570), wk = 0.0025063 k( 66) = ( -0.1488710 0.3725989 1.0541595), wk = 0.0025063 k( 67) = ( -0.1428176 0.3574483 1.0704621), wk = 0.0025063 k( 68) = ( -0.1367642 0.3422976 1.0867646), wk = 0.0025063 k( 69) = ( -0.1307108 0.3271469 1.1030672), wk = 0.0025063 k( 70) = ( -0.1246574 0.3119963 1.1193698), wk = 0.0025063 k( 71) = ( -0.1186040 0.2968456 1.1356723), wk = 0.0025063 k( 72) = ( -0.1125505 0.2816949 1.1519749), wk = 0.0025063 k( 73) = ( -0.1064971 0.2665443 1.1682774), wk = 0.0025063 k( 74) = ( -0.1004437 0.2513936 1.1845800), wk = 0.0025063 k( 75) = ( -0.0943903 0.2362429 1.2008826), wk = 0.0025063 k( 76) = ( -0.0883369 0.2210922 1.2171851), wk = 0.0025063 k( 77) = ( -0.0822835 0.2059416 1.2334877), wk = 0.0025063 k( 78) = ( -0.0762301 0.1907909 1.2497902), wk = 0.0025063 k( 79) = ( -0.0701766 0.1756402 1.2660928), wk = 0.0025063 k( 80) = ( -0.0641232 0.1604896 1.2823954), wk = 0.0025063 k( 81) = ( -0.0580698 0.1453389 1.2986979), wk = 0.0025063 k( 82) = ( -0.0520164 0.1301882 1.3150005), wk = 0.0025063 k( 83) = ( -0.0459630 0.1150376 1.3313031), wk = 0.0025063 k( 84) = ( -0.0399096 0.0998869 1.3476056), wk = 0.0025063 k( 85) = ( -0.0399096 0.0998869 1.3476056), wk = 0.0025063 k( 86) = ( -0.0319277 0.0799095 1.3476056), wk = 0.0025063 k( 87) = ( -0.0239457 0.0599321 1.3476056), wk = 0.0025063 k( 88) = ( -0.0159638 0.0399548 1.3476056), wk = 0.0025063 k( 89) = ( -0.0079819 0.0199774 1.3476056), wk = 0.0025063 k( 90) = ( 0.0000000 0.0000000 1.3476056), wk = 0.0025063 k( 91) = ( 0.0000000 0.0000000 1.3476056), wk = 0.0025063 k( 92) = ( 0.0208333 0.0083239 1.3476056), wk = 0.0025063 k( 93) = ( 0.0416667 0.0166478 1.3476056), wk = 0.0025063 k( 94) = ( 0.0625000 0.0249717 1.3476056), wk = 0.0025063 k( 95) = ( 0.0833333 0.0332956 1.3476056), wk = 0.0025063 k( 96) = ( 0.1041667 0.0416196 1.3476056), wk = 0.0025063 k( 97) = ( 0.1250000 0.0499435 1.3476056), wk = 0.0025063 k( 98) = ( 0.1458333 0.0582674 1.3476056), wk = 0.0025063 k( 99) = ( 0.1666667 0.0665913 1.3476056), wk = 0.0025063 k( 100) = ( 0.1875000 0.0749152 1.3476056), wk = 0.0025063 k( 101) = ( 0.2083333 0.0832391 1.3476056), wk = 0.0025063 k( 102) = ( 0.2291667 0.0915630 1.3476056), wk = 0.0025063 k( 103) = ( 0.2500000 0.0998869 1.3476056), wk = 0.0025063 k( 104) = ( 0.2500000 0.0998869 1.3476056), wk = 0.0025063 k( 105) = ( 0.2439024 0.1151481 1.3311842), wk = 0.0025063 k( 106) = ( 0.2378049 0.1304092 1.3147627), wk = 0.0025063 k( 107) = ( 0.2317073 0.1456704 1.2983412), wk = 0.0025063 k( 108) = ( 0.2256098 0.1609315 1.2819198), wk = 0.0025063 k( 109) = ( 0.2195122 0.1761927 1.2654983), wk = 0.0025063 k( 110) = ( 0.2134146 0.1914539 1.2490769), wk = 0.0025063 k( 111) = ( 0.2073171 0.2067150 1.2326554), wk = 0.0025063 k( 112) = ( 0.2012195 0.2219762 1.2162340), wk = 0.0025063 k( 113) = ( 0.1951219 0.2372374 1.1998125), wk = 0.0025063 k( 114) = ( 0.1890244 0.2524985 1.1833911), wk = 0.0025063 k( 115) = ( 0.1829268 0.2677597 1.1669696), wk = 0.0025063 k( 116) = ( 0.1768293 0.2830208 1.1505482), wk = 0.0025063 k( 117) = ( 0.1707317 0.2982820 1.1341267), wk = 0.0025063 k( 118) = ( 0.1646342 0.3135431 1.1177053), wk = 0.0025063 k( 119) = ( 0.1585366 0.3288043 1.1012838), wk = 0.0025063 k( 120) = ( 0.1524390 0.3440655 1.0848623), wk = 0.0025063 k( 121) = ( 0.1463415 0.3593266 1.0684409), wk = 0.0025063 k( 122) = ( 0.1402439 0.3745878 1.0520194), wk = 0.0025063 k( 123) = ( 0.1341463 0.3898490 1.0355980), wk = 0.0025063 k( 124) = ( 0.1280488 0.4051101 1.0191765), wk = 0.0025063 k( 125) = ( 0.1219512 0.4203713 1.0027551), wk = 0.0025063 k( 126) = ( 0.1158537 0.4356324 0.9863336), wk = 0.0025063 k( 127) = ( 0.1097561 0.4508936 0.9699122), wk = 0.0025063 k( 128) = ( 0.1036585 0.4661547 0.9534907), wk = 0.0025063 k( 129) = ( 0.0975610 0.4814159 0.9370693), wk = 0.0025063 k( 130) = ( 0.0914634 0.4966771 0.9206478), wk = 0.0025063 k( 131) = ( 0.0853658 0.5119382 0.9042263), wk = 0.0025063 k( 132) = ( 0.0792683 0.5271994 0.8878049), wk = 0.0025063 k( 133) = ( 0.0731707 0.5424606 0.8713834), wk = 0.0025063 k( 134) = ( 0.0670732 0.5577217 0.8549620), wk = 0.0025063 k( 135) = ( 0.0609756 0.5729829 0.8385405), wk = 0.0025063 k( 136) = ( 0.0548780 0.5882440 0.8221191), wk = 0.0025063 k( 137) = ( 0.0487805 0.6035052 0.8056976), wk = 0.0025063 k( 138) = ( 0.0426829 0.6187663 0.7892762), wk = 0.0025063 k( 139) = ( 0.0365854 0.6340275 0.7728547), wk = 0.0025063 k( 140) = ( 0.0304878 0.6492887 0.7564333), wk = 0.0025063 k( 141) = ( 0.0243902 0.6645498 0.7400118), wk = 0.0025063 k( 142) = ( 0.0182927 0.6798110 0.7235904), wk = 0.0025063 k( 143) = ( 0.0121951 0.6950722 0.7071689), wk = 0.0025063 k( 144) = ( 0.0060976 0.7103333 0.6907475), wk = 0.0025063 k( 145) = ( 0.0000000 0.7255945 0.6743260), wk = 0.0025063 k( 146) = ( 0.0000000 0.7255945 0.6743260), wk = 0.0025063 k( 147) = ( 0.0224949 0.7297597 0.6698442), wk = 0.0025063 k( 148) = ( 0.0449899 0.7339248 0.6653623), wk = 0.0025063 k( 149) = ( 0.0674848 0.7380900 0.6608804), wk = 0.0025063 k( 150) = ( 0.0899798 0.7422552 0.6563986), wk = 0.0025063 k( 151) = ( 0.1124747 0.7464204 0.6519167), wk = 0.0025063 k( 152) = ( 0.1349696 0.7505856 0.6474348), wk = 0.0025063 k( 153) = ( 0.1574646 0.7547508 0.6429530), wk = 0.0025063 k( 154) = ( 0.1799595 0.7589160 0.6384711), wk = 0.0025063 k( 155) = ( 0.2024545 0.7630812 0.6339893), wk = 0.0025063 k( 156) = ( 0.2249494 0.7672463 0.6295074), wk = 0.0025063 k( 157) = ( 0.2474444 0.7714115 0.6250255), wk = 0.0025063 k( 158) = ( 0.2699393 0.7755767 0.6205437), wk = 0.0025063 k( 159) = ( 0.2699393 0.7755767 0.6205437), wk = 0.0025063 k( 160) = ( 0.2759935 0.7604240 0.6042136), wk = 0.0025063 k( 161) = ( 0.2820478 0.7452713 0.5878835), wk = 0.0025063 k( 162) = ( 0.2881020 0.7301186 0.5715534), wk = 0.0025063 k( 163) = ( 0.2941562 0.7149659 0.5552233), wk = 0.0025063 k( 164) = ( 0.3002104 0.6998132 0.5388932), wk = 0.0025063 k( 165) = ( 0.3062647 0.6846605 0.5225631), wk = 0.0025063 k( 166) = ( 0.3123189 0.6695078 0.5062330), wk = 0.0025063 k( 167) = ( 0.3183731 0.6543551 0.4899029), wk = 0.0025063 k( 168) = ( 0.3244274 0.6392023 0.4735728), wk = 0.0025063 k( 169) = ( 0.3304816 0.6240496 0.4572427), wk = 0.0025063 k( 170) = ( 0.3365358 0.6088969 0.4409126), wk = 0.0025063 k( 171) = ( 0.3425900 0.5937442 0.4245825), wk = 0.0025063 k( 172) = ( 0.3486443 0.5785915 0.4082524), wk = 0.0025063 k( 173) = ( 0.3546985 0.5634388 0.3919223), wk = 0.0025063 k( 174) = ( 0.3607527 0.5482861 0.3755922), wk = 0.0025063 k( 175) = ( 0.3668070 0.5331334 0.3592621), wk = 0.0025063 k( 176) = ( 0.3728612 0.5179807 0.3429320), wk = 0.0025063 k( 177) = ( 0.3789154 0.5028280 0.3266019), wk = 0.0025063 k( 178) = ( 0.3849696 0.4876753 0.3102718), wk = 0.0025063 k( 179) = ( 0.3910239 0.4725226 0.2939417), wk = 0.0025063 k( 180) = ( 0.3970781 0.4573699 0.2776116), wk = 0.0025063 k( 181) = ( 0.4031323 0.4422171 0.2612815), wk = 0.0025063 k( 182) = ( 0.4091866 0.4270644 0.2449514), wk = 0.0025063 k( 183) = ( 0.4152408 0.4119118 0.2286214), wk = 0.0025063 k( 184) = ( 0.4212950 0.3967590 0.2122913), wk = 0.0025063 k( 185) = ( 0.4273493 0.3816063 0.1959612), wk = 0.0025063 k( 186) = ( 0.4334035 0.3664536 0.1796311), wk = 0.0025063 k( 187) = ( 0.4394577 0.3513009 0.1633010), wk = 0.0025063 k( 188) = ( 0.4455119 0.3361482 0.1469709), wk = 0.0025063 k( 189) = ( 0.4515662 0.3209955 0.1306408), wk = 0.0025063 k( 190) = ( 0.4576204 0.3058428 0.1143107), wk = 0.0025063 k( 191) = ( 0.4636746 0.2906901 0.0979806), wk = 0.0025063 k( 192) = ( 0.4697289 0.2755374 0.0816505), wk = 0.0025063 k( 193) = ( 0.4757831 0.2603847 0.0653204), wk = 0.0025063 k( 194) = ( 0.4818373 0.2452320 0.0489903), wk = 0.0025063 k( 195) = ( 0.4878915 0.2300793 0.0326602), wk = 0.0025063 k( 196) = ( 0.4939458 0.2149265 0.0163301), wk = 0.0025063 k( 197) = ( 0.5000000 0.1997738 -0.0000000), wk = 0.0025063 k( 198) = ( 0.5000000 0.1997738 -0.0000000), wk = 0.0025063 k( 199) = ( 0.4782609 0.1910880 -0.0000000), wk = 0.0025063 k( 200) = ( 0.4565217 0.1824022 -0.0000000), wk = 0.0025063 k( 201) = ( 0.4347826 0.1737164 -0.0000000), wk = 0.0025063 k( 202) = ( 0.4130435 0.1650306 -0.0000000), wk = 0.0025063 k( 203) = ( 0.3913044 0.1563447 -0.0000000), wk = 0.0025063 k( 204) = ( 0.3695652 0.1476589 -0.0000000), wk = 0.0025063 k( 205) = ( 0.3478261 0.1389731 -0.0000000), wk = 0.0025063 k( 206) = ( 0.3260870 0.1302873 -0.0000000), wk = 0.0025063 k( 207) = ( 0.3043478 0.1216015 -0.0000000), wk = 0.0025063 k( 208) = ( 0.2826087 0.1129157 -0.0000000), wk = 0.0025063 k( 209) = ( 0.2608696 0.1042298 -0.0000000), wk = 0.0025063 k( 210) = ( 0.2391304 0.0955440 -0.0000000), wk = 0.0025063 k( 211) = ( 0.2173913 0.0868582 -0.0000000), wk = 0.0025063 k( 212) = ( 0.1956522 0.0781724 -0.0000000), wk = 0.0025063 k( 213) = ( 0.1739130 0.0694866 -0.0000000), wk = 0.0025063 k( 214) = ( 0.1521739 0.0608007 -0.0000000), wk = 0.0025063 k( 215) = ( 0.1304348 0.0521149 -0.0000000), wk = 0.0025063 k( 216) = ( 0.1086957 0.0434291 -0.0000000), wk = 0.0025063 k( 217) = ( 0.0869565 0.0347433 -0.0000000), wk = 0.0025063 k( 218) = ( 0.0652174 0.0260575 -0.0000000), wk = 0.0025063 k( 219) = ( 0.0434783 0.0173716 -0.0000000), wk = 0.0025063 k( 220) = ( 0.0217391 0.0086858 -0.0000000), wk = 0.0025063 k( 221) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025063 k( 222) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025063 k( 223) = ( 0.0061357 -0.0153566 0.0165241), wk = 0.0025063 k( 224) = ( 0.0122714 -0.0307132 0.0330483), wk = 0.0025063 k( 225) = ( 0.0184071 -0.0460698 0.0495724), wk = 0.0025063 k( 226) = ( 0.0245427 -0.0614263 0.0660965), wk = 0.0025063 k( 227) = ( 0.0306784 -0.0767829 0.0826207), wk = 0.0025063 k( 228) = ( 0.0368141 -0.0921395 0.0991448), wk = 0.0025063 k( 229) = ( 0.0429498 -0.1074961 0.1156689), wk = 0.0025063 k( 230) = ( 0.0490855 -0.1228527 0.1321931), wk = 0.0025063 k( 231) = ( 0.0552212 -0.1382093 0.1487172), wk = 0.0025063 k( 232) = ( 0.0613569 -0.1535659 0.1652413), wk = 0.0025063 k( 233) = ( 0.0674926 -0.1689224 0.1817655), wk = 0.0025063 k( 234) = ( 0.0736283 -0.1842790 0.1982896), wk = 0.0025063 k( 235) = ( 0.0797640 -0.1996356 0.2148138), wk = 0.0025063 k( 236) = ( 0.0858996 -0.2149922 0.2313379), wk = 0.0025063 k( 237) = ( 0.0920353 -0.2303488 0.2478620), wk = 0.0025063 k( 238) = ( 0.0981710 -0.2457054 0.2643862), wk = 0.0025063 k( 239) = ( 0.1043067 -0.2610620 0.2809103), wk = 0.0025063 k( 240) = ( 0.1104424 -0.2764185 0.2974344), wk = 0.0025063 k( 241) = ( 0.1165781 -0.2917751 0.3139586), wk = 0.0025063 k( 242) = ( 0.1227138 -0.3071317 0.3304827), wk = 0.0025063 k( 243) = ( 0.1288495 -0.3224883 0.3470068), wk = 0.0025063 k( 244) = ( 0.1349851 -0.3378449 0.3635310), wk = 0.0025063 k( 245) = ( 0.1411208 -0.3532015 0.3800551), wk = 0.0025063 k( 246) = ( 0.1472565 -0.3685581 0.3965792), wk = 0.0025063 k( 247) = ( 0.1533922 -0.3839147 0.4131034), wk = 0.0025063 k( 248) = ( 0.1595279 -0.3992712 0.4296275), wk = 0.0025063 k( 249) = ( 0.1656636 -0.4146278 0.4461517), wk = 0.0025063 k( 250) = ( 0.1717993 -0.4299844 0.4626758), wk = 0.0025063 k( 251) = ( 0.1779350 -0.4453410 0.4791999), wk = 0.0025063 k( 252) = ( 0.1840707 -0.4606976 0.4957241), wk = 0.0025063 k( 253) = ( 0.1902063 -0.4760542 0.5122482), wk = 0.0025063 k( 254) = ( 0.1963420 -0.4914108 0.5287723), wk = 0.0025063 k( 255) = ( 0.2024777 -0.5067674 0.5452965), wk = 0.0025063 k( 256) = ( 0.2086134 -0.5221239 0.5618206), wk = 0.0025063 k( 257) = ( 0.2147491 -0.5374805 0.5783447), wk = 0.0025063 k( 258) = ( 0.2208848 -0.5528371 0.5948689), wk = 0.0025063 k( 259) = ( 0.2270205 -0.5681937 0.6113930), wk = 0.0025063 k( 260) = ( 0.2331562 -0.5835503 0.6279171), wk = 0.0025063 k( 261) = ( 0.2392919 -0.5989069 0.6444413), wk = 0.0025063 k( 262) = ( 0.2454275 -0.6142634 0.6609654), wk = 0.0025063 k( 263) = ( 0.2515632 -0.6296200 0.6774895), wk = 0.0025063 k( 264) = ( 0.2576989 -0.6449766 0.6940137), wk = 0.0025063 k( 265) = ( 0.2638346 -0.6603332 0.7105378), wk = 0.0025063 k( 266) = ( 0.2699703 -0.6756898 0.7270619), wk = 0.0025063 k( 267) = ( 0.2699703 -0.6756898 0.7270619), wk = 0.0025063 k( 268) = ( 0.2891394 -0.6632007 0.7225801), wk = 0.0025063 k( 269) = ( 0.3083086 -0.6507116 0.7180982), wk = 0.0025063 k( 270) = ( 0.3274777 -0.6382225 0.7136164), wk = 0.0025063 k( 271) = ( 0.3466469 -0.6257334 0.7091345), wk = 0.0025063 k( 272) = ( 0.3658160 -0.6132443 0.7046526), wk = 0.0025063 k( 273) = ( 0.3849851 -0.6007552 0.7001708), wk = 0.0025063 k( 274) = ( 0.4041543 -0.5882661 0.6956889), wk = 0.0025063 k( 275) = ( 0.4233234 -0.5757770 0.6912071), wk = 0.0025063 k( 276) = ( 0.4424926 -0.5632879 0.6867252), wk = 0.0025063 k( 277) = ( 0.4616617 -0.5507988 0.6822433), wk = 0.0025063 k( 278) = ( 0.4808309 -0.5383097 0.6777615), wk = 0.0025063 k( 279) = ( 0.5000000 -0.5258206 0.6732796), wk = 0.0025063 k( 280) = ( 0.5000000 -0.5258206 0.6732796), wk = 0.0025063 k( 281) = ( 0.4939024 -0.5105595 0.6897266), wk = 0.0025063 k( 282) = ( 0.4878049 -0.4952983 0.7061735), wk = 0.0025063 k( 283) = ( 0.4817073 -0.4800372 0.7226205), wk = 0.0025063 k( 284) = ( 0.4756098 -0.4647760 0.7390675), wk = 0.0025063 k( 285) = ( 0.4695122 -0.4495148 0.7555145), wk = 0.0025063 k( 286) = ( 0.4634146 -0.4342537 0.7719615), wk = 0.0025063 k( 287) = ( 0.4573171 -0.4189925 0.7884084), wk = 0.0025063 k( 288) = ( 0.4512195 -0.4037313 0.8048554), wk = 0.0025063 k( 289) = ( 0.4451219 -0.3884702 0.8213024), wk = 0.0025063 k( 290) = ( 0.4390244 -0.3732090 0.8377494), wk = 0.0025063 k( 291) = ( 0.4329268 -0.3579479 0.8541963), wk = 0.0025063 k( 292) = ( 0.4268293 -0.3426867 0.8706433), wk = 0.0025063 k( 293) = ( 0.4207317 -0.3274256 0.8870903), wk = 0.0025063 k( 294) = ( 0.4146341 -0.3121644 0.9035372), wk = 0.0025063 k( 295) = ( 0.4085366 -0.2969032 0.9199842), wk = 0.0025063 k( 296) = ( 0.4024390 -0.2816421 0.9364312), wk = 0.0025063 k( 297) = ( 0.3963415 -0.2663809 0.9528782), wk = 0.0025063 k( 298) = ( 0.3902439 -0.2511197 0.9693252), wk = 0.0025063 k( 299) = ( 0.3841463 -0.2358586 0.9857721), wk = 0.0025063 k( 300) = ( 0.3780488 -0.2205974 1.0022191), wk = 0.0025063 k( 301) = ( 0.3719512 -0.2053363 1.0186661), wk = 0.0025063 k( 302) = ( 0.3658537 -0.1900751 1.0351131), wk = 0.0025063 k( 303) = ( 0.3597561 -0.1748140 1.0515600), wk = 0.0025063 k( 304) = ( 0.3536585 -0.1595528 1.0680070), wk = 0.0025063 k( 305) = ( 0.3475610 -0.1442916 1.0844540), wk = 0.0025063 k( 306) = ( 0.3414634 -0.1290305 1.1009010), wk = 0.0025063 k( 307) = ( 0.3353659 -0.1137693 1.1173480), wk = 0.0025063 k( 308) = ( 0.3292683 -0.0985082 1.1337949), wk = 0.0025063 k( 309) = ( 0.3231707 -0.0832470 1.1502419), wk = 0.0025063 k( 310) = ( 0.3170732 -0.0679858 1.1666889), wk = 0.0025063 k( 311) = ( 0.3109756 -0.0527247 1.1831358), wk = 0.0025063 k( 312) = ( 0.3048781 -0.0374635 1.1995828), wk = 0.0025063 k( 313) = ( 0.2987805 -0.0222024 1.2160298), wk = 0.0025063 k( 314) = ( 0.2926829 -0.0069412 1.2324768), wk = 0.0025063 k( 315) = ( 0.2865854 0.0083200 1.2489237), wk = 0.0025063 k( 316) = ( 0.2804878 0.0235811 1.2653707), wk = 0.0025063 k( 317) = ( 0.2743902 0.0388423 1.2818177), wk = 0.0025063 k( 318) = ( 0.2682927 0.0541034 1.2982647), wk = 0.0025063 k( 319) = ( 0.2621951 0.0693646 1.3147117), wk = 0.0025063 k( 320) = ( 0.2560976 0.0846258 1.3311586), wk = 0.0025063 k( 321) = ( 0.2500000 0.0998869 1.3476056), wk = 0.0025063 k( 322) = ( 0.0399096 -0.0998869 1.3476056), wk = 0.0025063 k( 323) = ( 0.0459638 -0.1150396 1.3312755), wk = 0.0025063 k( 324) = ( 0.0520180 -0.1301923 1.3149454), wk = 0.0025063 k( 325) = ( 0.0580723 -0.1453450 1.2986153), wk = 0.0025063 k( 326) = ( 0.0641265 -0.1604977 1.2822852), wk = 0.0025063 k( 327) = ( 0.0701807 -0.1756505 1.2659551), wk = 0.0025063 k( 328) = ( 0.0762350 -0.1908032 1.2496250), wk = 0.0025063 k( 329) = ( 0.0822892 -0.2059559 1.2332949), wk = 0.0025063 k( 330) = ( 0.0883434 -0.2211086 1.2169648), wk = 0.0025063 k( 331) = ( 0.0943976 -0.2362613 1.2006347), wk = 0.0025063 k( 332) = ( 0.1004519 -0.2514140 1.1843046), wk = 0.0025063 k( 333) = ( 0.1065061 -0.2665667 1.1679745), wk = 0.0025063 k( 334) = ( 0.1125603 -0.2817194 1.1516444), wk = 0.0025063 k( 335) = ( 0.1186146 -0.2968721 1.1353143), wk = 0.0025063 k( 336) = ( 0.1246688 -0.3120248 1.1189842), wk = 0.0025063 k( 337) = ( 0.1307230 -0.3271775 1.1026541), wk = 0.0025063 k( 338) = ( 0.1367772 -0.3423302 1.0863241), wk = 0.0025063 k( 339) = ( 0.1428315 -0.3574829 1.0699940), wk = 0.0025063 k( 340) = ( 0.1488857 -0.3726357 1.0536639), wk = 0.0025063 k( 341) = ( 0.1549399 -0.3877884 1.0373338), wk = 0.0025063 k( 342) = ( 0.1609942 -0.4029411 1.0210037), wk = 0.0025063 k( 343) = ( 0.1670484 -0.4180938 1.0046736), wk = 0.0025063 k( 344) = ( 0.1731026 -0.4332465 0.9883435), wk = 0.0025063 k( 345) = ( 0.1791569 -0.4483992 0.9720134), wk = 0.0025063 k( 346) = ( 0.1852111 -0.4635519 0.9556833), wk = 0.0025063 k( 347) = ( 0.1912653 -0.4787046 0.9393532), wk = 0.0025063 k( 348) = ( 0.1973195 -0.4938573 0.9230231), wk = 0.0025063 k( 349) = ( 0.2033738 -0.5090100 0.9066930), wk = 0.0025063 k( 350) = ( 0.2094280 -0.5241627 0.8903629), wk = 0.0025063 k( 351) = ( 0.2154822 -0.5393154 0.8740328), wk = 0.0025063 k( 352) = ( 0.2215365 -0.5544681 0.8577027), wk = 0.0025063 k( 353) = ( 0.2275907 -0.5696209 0.8413726), wk = 0.0025063 k( 354) = ( 0.2336449 -0.5847735 0.8250425), wk = 0.0025063 k( 355) = ( 0.2396991 -0.5999262 0.8087124), wk = 0.0025063 k( 356) = ( 0.2457534 -0.6150790 0.7923823), wk = 0.0025063 k( 357) = ( 0.2518076 -0.6302317 0.7760522), wk = 0.0025063 k( 358) = ( 0.2578618 -0.6453844 0.7597221), wk = 0.0025063 k( 359) = ( 0.2639161 -0.6605371 0.7433920), wk = 0.0025063 k( 360) = ( 0.2699703 -0.6756898 0.7270619), wk = 0.0025063 k( 361) = ( 0.7300297 -0.3759515 0.6194972), wk = 0.0025063 k( 362) = ( 0.7239763 -0.3608008 0.6031947), wk = 0.0025063 k( 363) = ( 0.7179229 -0.3456501 0.5868921), wk = 0.0025063 k( 364) = ( 0.7118695 -0.3304995 0.5705896), wk = 0.0025063 k( 365) = ( 0.7058161 -0.3153488 0.5542870), wk = 0.0025063 k( 366) = ( 0.6997626 -0.3001981 0.5379844), wk = 0.0025063 k( 367) = ( 0.6937092 -0.2850475 0.5216819), wk = 0.0025063 k( 368) = ( 0.6876558 -0.2698968 0.5053793), wk = 0.0025063 k( 369) = ( 0.6816024 -0.2547461 0.4890768), wk = 0.0025063 k( 370) = ( 0.6755490 -0.2395955 0.4727742), wk = 0.0025063 k( 371) = ( 0.6694956 -0.2244448 0.4564717), wk = 0.0025063 k( 372) = ( 0.6634422 -0.2092941 0.4401691), wk = 0.0025063 k( 373) = ( 0.6573887 -0.1941435 0.4238665), wk = 0.0025063 k( 374) = ( 0.6513353 -0.1789928 0.4075640), wk = 0.0025063 k( 375) = ( 0.6452819 -0.1638421 0.3912614), wk = 0.0025063 k( 376) = ( 0.6392285 -0.1486915 0.3749589), wk = 0.0025063 k( 377) = ( 0.6331751 -0.1335408 0.3586563), wk = 0.0025063 k( 378) = ( 0.6271217 -0.1183901 0.3423537), wk = 0.0025063 k( 379) = ( 0.6210683 -0.1032395 0.3260512), wk = 0.0025063 k( 380) = ( 0.6150149 -0.0880888 0.3097486), wk = 0.0025063 k( 381) = ( 0.6089614 -0.0729381 0.2934461), wk = 0.0025063 k( 382) = ( 0.6029080 -0.0577875 0.2771435), wk = 0.0025063 k( 383) = ( 0.5968546 -0.0426368 0.2608410), wk = 0.0025063 k( 384) = ( 0.5908012 -0.0274861 0.2445384), wk = 0.0025063 k( 385) = ( 0.5847478 -0.0123355 0.2282358), wk = 0.0025063 k( 386) = ( 0.5786944 0.0028152 0.2119333), wk = 0.0025063 k( 387) = ( 0.5726410 0.0179659 0.1956307), wk = 0.0025063 k( 388) = ( 0.5665876 0.0331165 0.1793282), wk = 0.0025063 k( 389) = ( 0.5605341 0.0482672 0.1630256), wk = 0.0025063 k( 390) = ( 0.5544807 0.0634178 0.1467230), wk = 0.0025063 k( 391) = ( 0.5484273 0.0785685 0.1304205), wk = 0.0025063 k( 392) = ( 0.5423739 0.0937192 0.1141179), wk = 0.0025063 k( 393) = ( 0.5363205 0.1088698 0.0978154), wk = 0.0025063 k( 394) = ( 0.5302671 0.1240205 0.0815128), wk = 0.0025063 k( 395) = ( 0.5242136 0.1391712 0.0652102), wk = 0.0025063 k( 396) = ( 0.5181602 0.1543218 0.0489077), wk = 0.0025063 k( 397) = ( 0.5121068 0.1694725 0.0326051), wk = 0.0025063 k( 398) = ( 0.5060534 0.1846232 0.0163025), wk = 0.0025063 k( 399) = ( 0.5000000 0.1997738 -0.0000000), wk = 0.0025063 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025063 k( 2) = ( -0.0061350 0.0061350 0.0061350), wk = 0.0025063 k( 3) = ( -0.0122700 0.0122700 0.0122700), wk = 0.0025063 k( 4) = ( -0.0184049 0.0184049 0.0184050), wk = 0.0025063 k( 5) = ( -0.0245399 0.0245399 0.0245399), wk = 0.0025063 k( 6) = ( -0.0306749 0.0306749 0.0306749), wk = 0.0025063 k( 7) = ( -0.0368099 0.0368099 0.0368099), wk = 0.0025063 k( 8) = ( -0.0429449 0.0429449 0.0429449), wk = 0.0025063 k( 9) = ( -0.0490799 0.0490799 0.0490799), wk = 0.0025063 k( 10) = ( -0.0552149 0.0552149 0.0552149), wk = 0.0025063 k( 11) = ( -0.0613498 0.0613498 0.0613498), wk = 0.0025063 k( 12) = ( -0.0674848 0.0674848 0.0674848), wk = 0.0025063 k( 13) = ( -0.0736198 0.0736198 0.0736198), wk = 0.0025063 k( 14) = ( -0.0797548 0.0797548 0.0797548), wk = 0.0025063 k( 15) = ( -0.0858898 0.0858898 0.0858898), wk = 0.0025063 k( 16) = ( -0.0920248 0.0920248 0.0920248), wk = 0.0025063 k( 17) = ( -0.0981597 0.0981597 0.0981597), wk = 0.0025063 k( 18) = ( -0.1042947 0.1042947 0.1042947), wk = 0.0025063 k( 19) = ( -0.1104297 0.1104297 0.1104297), wk = 0.0025063 k( 20) = ( -0.1165647 0.1165647 0.1165647), wk = 0.0025063 k( 21) = ( -0.1226997 0.1226997 0.1226997), wk = 0.0025063 k( 22) = ( -0.1288347 0.1288347 0.1288347), wk = 0.0025063 k( 23) = ( -0.1349696 0.1349696 0.1349696), wk = 0.0025063 k( 24) = ( -0.1411046 0.1411046 0.1411046), wk = 0.0025063 k( 25) = ( -0.1472396 0.1472396 0.1472396), wk = 0.0025063 k( 26) = ( -0.1533746 0.1533746 0.1533746), wk = 0.0025063 k( 27) = ( -0.1595096 0.1595096 0.1595096), wk = 0.0025063 k( 28) = ( -0.1656446 0.1656446 0.1656446), wk = 0.0025063 k( 29) = ( -0.1717796 0.1717796 0.1717796), wk = 0.0025063 k( 30) = ( -0.1779145 0.1779145 0.1779145), wk = 0.0025063 k( 31) = ( -0.1840495 0.1840495 0.1840495), wk = 0.0025063 k( 32) = ( -0.1901845 0.1901845 0.1901845), wk = 0.0025063 k( 33) = ( -0.1963195 0.1963195 0.1963195), wk = 0.0025063 k( 34) = ( -0.2024545 0.2024545 0.2024545), wk = 0.0025063 k( 35) = ( -0.2085895 0.2085895 0.2085895), wk = 0.0025063 k( 36) = ( -0.2147244 0.2147244 0.2147244), wk = 0.0025063 k( 37) = ( -0.2208594 0.2208594 0.2208594), wk = 0.0025063 k( 38) = ( -0.2269944 0.2269944 0.2269944), wk = 0.0025063 k( 39) = ( -0.2331294 0.2331294 0.2331294), wk = 0.0025063 k( 40) = ( -0.2392644 0.2392644 0.2392644), wk = 0.0025063 k( 41) = ( -0.2453994 0.2453994 0.2453994), wk = 0.0025063 k( 42) = ( -0.2515344 0.2515344 0.2515344), wk = 0.0025063 k( 43) = ( -0.2576693 0.2576693 0.2576693), wk = 0.0025063 k( 44) = ( -0.2638043 0.2638043 0.2638043), wk = 0.0025063 k( 45) = ( -0.2699393 0.2699393 0.2699393), wk = 0.0025063 k( 46) = ( -0.2699393 0.2699393 0.2699393), wk = 0.0025063 k( 47) = ( -0.2638859 0.2638859 0.2759927), wk = 0.0025063 k( 48) = ( -0.2578325 0.2578325 0.2820461), wk = 0.0025063 k( 49) = ( -0.2517791 0.2517791 0.2880995), wk = 0.0025063 k( 50) = ( -0.2457256 0.2457256 0.2941530), wk = 0.0025063 k( 51) = ( -0.2396722 0.2396722 0.3002064), wk = 0.0025063 k( 52) = ( -0.2336188 0.2336188 0.3062598), wk = 0.0025063 k( 53) = ( -0.2275654 0.2275654 0.3123132), wk = 0.0025063 k( 54) = ( -0.2215120 0.2215120 0.3183666), wk = 0.0025063 k( 55) = ( -0.2154586 0.2154586 0.3244200), wk = 0.0025063 k( 56) = ( -0.2094052 0.2094052 0.3304734), wk = 0.0025063 k( 57) = ( -0.2033517 0.2033517 0.3365269), wk = 0.0025063 k( 58) = ( -0.1972983 0.1972983 0.3425803), wk = 0.0025063 k( 59) = ( -0.1912449 0.1912449 0.3486337), wk = 0.0025063 k( 60) = ( -0.1851915 0.1851915 0.3546871), wk = 0.0025063 k( 61) = ( -0.1791381 0.1791381 0.3607405), wk = 0.0025063 k( 62) = ( -0.1730847 0.1730847 0.3667939), wk = 0.0025063 k( 63) = ( -0.1670313 0.1670313 0.3728473), wk = 0.0025063 k( 64) = ( -0.1609779 0.1609779 0.3789007), wk = 0.0025063 k( 65) = ( -0.1549244 0.1549244 0.3849541), wk = 0.0025063 k( 66) = ( -0.1488710 0.1488710 0.3910076), wk = 0.0025063 k( 67) = ( -0.1428176 0.1428176 0.3970610), wk = 0.0025063 k( 68) = ( -0.1367642 0.1367642 0.4031144), wk = 0.0025063 k( 69) = ( -0.1307108 0.1307108 0.4091678), wk = 0.0025063 k( 70) = ( -0.1246574 0.1246574 0.4152212), wk = 0.0025063 k( 71) = ( -0.1186040 0.1186040 0.4212746), wk = 0.0025063 k( 72) = ( -0.1125505 0.1125505 0.4273281), wk = 0.0025063 k( 73) = ( -0.1064971 0.1064971 0.4333815), wk = 0.0025063 k( 74) = ( -0.1004437 0.1004437 0.4394349), wk = 0.0025063 k( 75) = ( -0.0943903 0.0943903 0.4454883), wk = 0.0025063 k( 76) = ( -0.0883369 0.0883369 0.4515417), wk = 0.0025063 k( 77) = ( -0.0822835 0.0822835 0.4575951), wk = 0.0025063 k( 78) = ( -0.0762301 0.0762301 0.4636485), wk = 0.0025063 k( 79) = ( -0.0701766 0.0701766 0.4697019), wk = 0.0025063 k( 80) = ( -0.0641232 0.0641232 0.4757554), wk = 0.0025063 k( 81) = ( -0.0580698 0.0580698 0.4818088), wk = 0.0025063 k( 82) = ( -0.0520164 0.0520164 0.4878622), wk = 0.0025063 k( 83) = ( -0.0459630 0.0459630 0.4939156), wk = 0.0025063 k( 84) = ( -0.0399096 0.0399096 0.4999690), wk = 0.0025063 k( 85) = ( -0.0399096 0.0399096 0.4999690), wk = 0.0025063 k( 86) = ( -0.0319277 0.0319277 0.4999752), wk = 0.0025063 k( 87) = ( -0.0239457 0.0239457 0.4999814), wk = 0.0025063 k( 88) = ( -0.0159638 0.0159638 0.4999876), wk = 0.0025063 k( 89) = ( -0.0079819 0.0079819 0.4999938), wk = 0.0025063 k( 90) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025063 k( 91) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025063 k( 92) = ( 0.0208333 0.0208333 0.4791667), wk = 0.0025063 k( 93) = ( 0.0416667 0.0416667 0.4583333), wk = 0.0025063 k( 94) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0025063 k( 95) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0025063 k( 96) = ( 0.1041667 0.1041667 0.3958333), wk = 0.0025063 k( 97) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0025063 k( 98) = ( 0.1458333 0.1458333 0.3541667), wk = 0.0025063 k( 99) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0025063 k( 100) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0025063 k( 101) = ( 0.2083333 0.2083333 0.2916667), wk = 0.0025063 k( 102) = ( 0.2291667 0.2291667 0.2708333), wk = 0.0025063 k( 103) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0025063 k( 104) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0025063 k( 105) = ( 0.2439024 0.2560976 0.2439024), wk = 0.0025063 k( 106) = ( 0.2378049 0.2621951 0.2378049), wk = 0.0025063 k( 107) = ( 0.2317073 0.2682927 0.2317073), wk = 0.0025063 k( 108) = ( 0.2256098 0.2743902 0.2256098), wk = 0.0025063 k( 109) = ( 0.2195122 0.2804878 0.2195122), wk = 0.0025063 k( 110) = ( 0.2134146 0.2865854 0.2134146), wk = 0.0025063 k( 111) = ( 0.2073171 0.2926829 0.2073171), wk = 0.0025063 k( 112) = ( 0.2012195 0.2987805 0.2012195), wk = 0.0025063 k( 113) = ( 0.1951219 0.3048781 0.1951220), wk = 0.0025063 k( 114) = ( 0.1890244 0.3109756 0.1890244), wk = 0.0025063 k( 115) = ( 0.1829268 0.3170732 0.1829268), wk = 0.0025063 k( 116) = ( 0.1768293 0.3231707 0.1768293), wk = 0.0025063 k( 117) = ( 0.1707317 0.3292683 0.1707317), wk = 0.0025063 k( 118) = ( 0.1646342 0.3353659 0.1646341), wk = 0.0025063 k( 119) = ( 0.1585366 0.3414634 0.1585366), wk = 0.0025063 k( 120) = ( 0.1524390 0.3475610 0.1524390), wk = 0.0025063 k( 121) = ( 0.1463415 0.3536585 0.1463415), wk = 0.0025063 k( 122) = ( 0.1402439 0.3597561 0.1402439), wk = 0.0025063 k( 123) = ( 0.1341463 0.3658537 0.1341463), wk = 0.0025063 k( 124) = ( 0.1280488 0.3719512 0.1280488), wk = 0.0025063 k( 125) = ( 0.1219512 0.3780488 0.1219512), wk = 0.0025063 k( 126) = ( 0.1158537 0.3841463 0.1158537), wk = 0.0025063 k( 127) = ( 0.1097561 0.3902439 0.1097561), wk = 0.0025063 k( 128) = ( 0.1036585 0.3963415 0.1036585), wk = 0.0025063 k( 129) = ( 0.0975610 0.4024390 0.0975610), wk = 0.0025063 k( 130) = ( 0.0914634 0.4085366 0.0914634), wk = 0.0025063 k( 131) = ( 0.0853658 0.4146341 0.0853658), wk = 0.0025063 k( 132) = ( 0.0792683 0.4207317 0.0792683), wk = 0.0025063 k( 133) = ( 0.0731707 0.4268293 0.0731707), wk = 0.0025063 k( 134) = ( 0.0670732 0.4329268 0.0670732), wk = 0.0025063 k( 135) = ( 0.0609756 0.4390244 0.0609756), wk = 0.0025063 k( 136) = ( 0.0548780 0.4451220 0.0548780), wk = 0.0025063 k( 137) = ( 0.0487805 0.4512195 0.0487805), wk = 0.0025063 k( 138) = ( 0.0426829 0.4573171 0.0426829), wk = 0.0025063 k( 139) = ( 0.0365854 0.4634146 0.0365854), wk = 0.0025063 k( 140) = ( 0.0304878 0.4695122 0.0304878), wk = 0.0025063 k( 141) = ( 0.0243902 0.4756098 0.0243902), wk = 0.0025063 k( 142) = ( 0.0182927 0.4817073 0.0182927), wk = 0.0025063 k( 143) = ( 0.0121951 0.4878049 0.0121951), wk = 0.0025063 k( 144) = ( 0.0060976 0.4939024 0.0060976), wk = 0.0025063 k( 145) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025063 k( 146) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025063 k( 147) = ( 0.0224949 0.5191717 -0.0224949), wk = 0.0025063 k( 148) = ( 0.0449899 0.5383434 -0.0449899), wk = 0.0025063 k( 149) = ( 0.0674848 0.5575152 -0.0674848), wk = 0.0025063 k( 150) = ( 0.0899798 0.5766869 -0.0899798), wk = 0.0025063 k( 151) = ( 0.1124747 0.5958586 -0.1124747), wk = 0.0025063 k( 152) = ( 0.1349696 0.6150303 -0.1349696), wk = 0.0025063 k( 153) = ( 0.1574646 0.6342021 -0.1574646), wk = 0.0025063 k( 154) = ( 0.1799595 0.6533738 -0.1799595), wk = 0.0025063 k( 155) = ( 0.2024545 0.6725455 -0.2024545), wk = 0.0025063 k( 156) = ( 0.2249494 0.6917172 -0.2249494), wk = 0.0025063 k( 157) = ( 0.2474444 0.7108890 -0.2474444), wk = 0.0025063 k( 158) = ( 0.2699393 0.7300607 -0.2699393), wk = 0.0025063 k( 159) = ( 0.2699393 0.7300607 -0.2699393), wk = 0.0025063 k( 160) = ( 0.2759935 0.7240065 -0.2759935), wk = 0.0025063 k( 161) = ( 0.2820478 0.7179522 -0.2820478), wk = 0.0025063 k( 162) = ( 0.2881020 0.7118980 -0.2881020), wk = 0.0025063 k( 163) = ( 0.2941562 0.7058438 -0.2941562), wk = 0.0025063 k( 164) = ( 0.3002104 0.6997896 -0.3002104), wk = 0.0025063 k( 165) = ( 0.3062647 0.6937353 -0.3062647), wk = 0.0025063 k( 166) = ( 0.3123189 0.6876811 -0.3123189), wk = 0.0025063 k( 167) = ( 0.3183731 0.6816269 -0.3183731), wk = 0.0025063 k( 168) = ( 0.3244274 0.6755726 -0.3244274), wk = 0.0025063 k( 169) = ( 0.3304816 0.6695184 -0.3304816), wk = 0.0025063 k( 170) = ( 0.3365358 0.6634642 -0.3365358), wk = 0.0025063 k( 171) = ( 0.3425900 0.6574099 -0.3425900), wk = 0.0025063 k( 172) = ( 0.3486443 0.6513557 -0.3486443), wk = 0.0025063 k( 173) = ( 0.3546985 0.6453015 -0.3546985), wk = 0.0025063 k( 174) = ( 0.3607527 0.6392473 -0.3607527), wk = 0.0025063 k( 175) = ( 0.3668070 0.6331930 -0.3668070), wk = 0.0025063 k( 176) = ( 0.3728612 0.6271388 -0.3728612), wk = 0.0025063 k( 177) = ( 0.3789154 0.6210846 -0.3789154), wk = 0.0025063 k( 178) = ( 0.3849696 0.6150304 -0.3849697), wk = 0.0025063 k( 179) = ( 0.3910239 0.6089761 -0.3910239), wk = 0.0025063 k( 180) = ( 0.3970781 0.6029219 -0.3970781), wk = 0.0025063 k( 181) = ( 0.4031323 0.5968677 -0.4031323), wk = 0.0025063 k( 182) = ( 0.4091866 0.5908134 -0.4091866), wk = 0.0025063 k( 183) = ( 0.4152408 0.5847592 -0.4152408), wk = 0.0025063 k( 184) = ( 0.4212950 0.5787050 -0.4212950), wk = 0.0025063 k( 185) = ( 0.4273493 0.5726508 -0.4273493), wk = 0.0025063 k( 186) = ( 0.4334035 0.5665965 -0.4334035), wk = 0.0025063 k( 187) = ( 0.4394577 0.5605423 -0.4394577), wk = 0.0025063 k( 188) = ( 0.4455119 0.5544881 -0.4455119), wk = 0.0025063 k( 189) = ( 0.4515662 0.5484338 -0.4515662), wk = 0.0025063 k( 190) = ( 0.4576204 0.5423796 -0.4576204), wk = 0.0025063 k( 191) = ( 0.4636746 0.5363254 -0.4636746), wk = 0.0025063 k( 192) = ( 0.4697289 0.5302711 -0.4697289), wk = 0.0025063 k( 193) = ( 0.4757831 0.5242169 -0.4757831), wk = 0.0025063 k( 194) = ( 0.4818373 0.5181627 -0.4818373), wk = 0.0025063 k( 195) = ( 0.4878915 0.5121085 -0.4878915), wk = 0.0025063 k( 196) = ( 0.4939458 0.5060542 -0.4939458), wk = 0.0025063 k( 197) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0025063 k( 198) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0025063 k( 199) = ( 0.4782609 0.4782609 -0.4782609), wk = 0.0025063 k( 200) = ( 0.4565217 0.4565217 -0.4565217), wk = 0.0025063 k( 201) = ( 0.4347826 0.4347826 -0.4347826), wk = 0.0025063 k( 202) = ( 0.4130435 0.4130435 -0.4130435), wk = 0.0025063 k( 203) = ( 0.3913044 0.3913044 -0.3913044), wk = 0.0025063 k( 204) = ( 0.3695652 0.3695652 -0.3695652), wk = 0.0025063 k( 205) = ( 0.3478261 0.3478261 -0.3478261), wk = 0.0025063 k( 206) = ( 0.3260870 0.3260870 -0.3260870), wk = 0.0025063 k( 207) = ( 0.3043478 0.3043478 -0.3043478), wk = 0.0025063 k( 208) = ( 0.2826087 0.2826087 -0.2826087), wk = 0.0025063 k( 209) = ( 0.2608696 0.2608696 -0.2608696), wk = 0.0025063 k( 210) = ( 0.2391304 0.2391304 -0.2391304), wk = 0.0025063 k( 211) = ( 0.2173913 0.2173913 -0.2173913), wk = 0.0025063 k( 212) = ( 0.1956522 0.1956522 -0.1956522), wk = 0.0025063 k( 213) = ( 0.1739130 0.1739130 -0.1739130), wk = 0.0025063 k( 214) = ( 0.1521739 0.1521739 -0.1521739), wk = 0.0025063 k( 215) = ( 0.1304348 0.1304348 -0.1304348), wk = 0.0025063 k( 216) = ( 0.1086957 0.1086957 -0.1086957), wk = 0.0025063 k( 217) = ( 0.0869565 0.0869565 -0.0869565), wk = 0.0025063 k( 218) = ( 0.0652174 0.0652174 -0.0652174), wk = 0.0025063 k( 219) = ( 0.0434783 0.0434783 -0.0434783), wk = 0.0025063 k( 220) = ( 0.0217391 0.0217391 -0.0217391), wk = 0.0025063 k( 221) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025063 k( 222) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025063 k( 223) = ( 0.0061357 -0.0061357 0.0061357), wk = 0.0025063 k( 224) = ( 0.0122714 -0.0122714 0.0122714), wk = 0.0025063 k( 225) = ( 0.0184071 -0.0184071 0.0184071), wk = 0.0025063 k( 226) = ( 0.0245427 -0.0245427 0.0245427), wk = 0.0025063 k( 227) = ( 0.0306784 -0.0306784 0.0306784), wk = 0.0025063 k( 228) = ( 0.0368141 -0.0368141 0.0368141), wk = 0.0025063 k( 229) = ( 0.0429498 -0.0429498 0.0429498), wk = 0.0025063 k( 230) = ( 0.0490855 -0.0490855 0.0490855), wk = 0.0025063 k( 231) = ( 0.0552212 -0.0552212 0.0552212), wk = 0.0025063 k( 232) = ( 0.0613569 -0.0613569 0.0613569), wk = 0.0025063 k( 233) = ( 0.0674926 -0.0674926 0.0674926), wk = 0.0025063 k( 234) = ( 0.0736283 -0.0736283 0.0736283), wk = 0.0025063 k( 235) = ( 0.0797640 -0.0797640 0.0797640), wk = 0.0025063 k( 236) = ( 0.0858996 -0.0858996 0.0858996), wk = 0.0025063 k( 237) = ( 0.0920353 -0.0920353 0.0920353), wk = 0.0025063 k( 238) = ( 0.0981710 -0.0981710 0.0981710), wk = 0.0025063 k( 239) = ( 0.1043067 -0.1043067 0.1043067), wk = 0.0025063 k( 240) = ( 0.1104424 -0.1104424 0.1104424), wk = 0.0025063 k( 241) = ( 0.1165781 -0.1165781 0.1165781), wk = 0.0025063 k( 242) = ( 0.1227138 -0.1227138 0.1227138), wk = 0.0025063 k( 243) = ( 0.1288495 -0.1288495 0.1288495), wk = 0.0025063 k( 244) = ( 0.1349851 -0.1349851 0.1349851), wk = 0.0025063 k( 245) = ( 0.1411208 -0.1411208 0.1411208), wk = 0.0025063 k( 246) = ( 0.1472565 -0.1472565 0.1472565), wk = 0.0025063 k( 247) = ( 0.1533922 -0.1533922 0.1533922), wk = 0.0025063 k( 248) = ( 0.1595279 -0.1595279 0.1595279), wk = 0.0025063 k( 249) = ( 0.1656636 -0.1656636 0.1656636), wk = 0.0025063 k( 250) = ( 0.1717993 -0.1717993 0.1717993), wk = 0.0025063 k( 251) = ( 0.1779350 -0.1779350 0.1779350), wk = 0.0025063 k( 252) = ( 0.1840707 -0.1840707 0.1840707), wk = 0.0025063 k( 253) = ( 0.1902063 -0.1902063 0.1902063), wk = 0.0025063 k( 254) = ( 0.1963420 -0.1963420 0.1963420), wk = 0.0025063 k( 255) = ( 0.2024777 -0.2024777 0.2024777), wk = 0.0025063 k( 256) = ( 0.2086134 -0.2086134 0.2086134), wk = 0.0025063 k( 257) = ( 0.2147491 -0.2147491 0.2147491), wk = 0.0025063 k( 258) = ( 0.2208848 -0.2208848 0.2208848), wk = 0.0025063 k( 259) = ( 0.2270205 -0.2270205 0.2270205), wk = 0.0025063 k( 260) = ( 0.2331562 -0.2331562 0.2331562), wk = 0.0025063 k( 261) = ( 0.2392919 -0.2392918 0.2392919), wk = 0.0025063 k( 262) = ( 0.2454275 -0.2454275 0.2454275), wk = 0.0025063 k( 263) = ( 0.2515632 -0.2515632 0.2515632), wk = 0.0025063 k( 264) = ( 0.2576989 -0.2576989 0.2576989), wk = 0.0025063 k( 265) = ( 0.2638346 -0.2638346 0.2638346), wk = 0.0025063 k( 266) = ( 0.2699703 -0.2699703 0.2699703), wk = 0.0025063 k( 267) = ( 0.2699703 -0.2699703 0.2699703), wk = 0.0025063 k( 268) = ( 0.2891394 -0.2474728 0.2474728), wk = 0.0025063 k( 269) = ( 0.3083086 -0.2249752 0.2249752), wk = 0.0025063 k( 270) = ( 0.3274777 -0.2024777 0.2024777), wk = 0.0025063 k( 271) = ( 0.3466469 -0.1799802 0.1799802), wk = 0.0025063 k( 272) = ( 0.3658160 -0.1574827 0.1574827), wk = 0.0025063 k( 273) = ( 0.3849851 -0.1349851 0.1349851), wk = 0.0025063 k( 274) = ( 0.4041543 -0.1124876 0.1124876), wk = 0.0025063 k( 275) = ( 0.4233234 -0.0899901 0.0899901), wk = 0.0025063 k( 276) = ( 0.4424926 -0.0674926 0.0674926), wk = 0.0025063 k( 277) = ( 0.4616617 -0.0449950 0.0449950), wk = 0.0025063 k( 278) = ( 0.4808309 -0.0224975 0.0224975), wk = 0.0025063 k( 279) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0025063 k( 280) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0025063 k( 281) = ( 0.4939024 0.0060976 0.0060976), wk = 0.0025063 k( 282) = ( 0.4878049 0.0121951 0.0121951), wk = 0.0025063 k( 283) = ( 0.4817073 0.0182927 0.0182927), wk = 0.0025063 k( 284) = ( 0.4756098 0.0243902 0.0243902), wk = 0.0025063 k( 285) = ( 0.4695122 0.0304878 0.0304878), wk = 0.0025063 k( 286) = ( 0.4634146 0.0365854 0.0365854), wk = 0.0025063 k( 287) = ( 0.4573171 0.0426829 0.0426829), wk = 0.0025063 k( 288) = ( 0.4512195 0.0487805 0.0487805), wk = 0.0025063 k( 289) = ( 0.4451219 0.0548781 0.0548780), wk = 0.0025063 k( 290) = ( 0.4390244 0.0609756 0.0609756), wk = 0.0025063 k( 291) = ( 0.4329268 0.0670732 0.0670732), wk = 0.0025063 k( 292) = ( 0.4268293 0.0731707 0.0731707), wk = 0.0025063 k( 293) = ( 0.4207317 0.0792683 0.0792683), wk = 0.0025063 k( 294) = ( 0.4146341 0.0853658 0.0853658), wk = 0.0025063 k( 295) = ( 0.4085366 0.0914634 0.0914634), wk = 0.0025063 k( 296) = ( 0.4024390 0.0975610 0.0975610), wk = 0.0025063 k( 297) = ( 0.3963415 0.1036585 0.1036585), wk = 0.0025063 k( 298) = ( 0.3902439 0.1097561 0.1097561), wk = 0.0025063 k( 299) = ( 0.3841463 0.1158537 0.1158537), wk = 0.0025063 k( 300) = ( 0.3780488 0.1219512 0.1219512), wk = 0.0025063 k( 301) = ( 0.3719512 0.1280488 0.1280488), wk = 0.0025063 k( 302) = ( 0.3658537 0.1341463 0.1341463), wk = 0.0025063 k( 303) = ( 0.3597561 0.1402439 0.1402439), wk = 0.0025063 k( 304) = ( 0.3536585 0.1463415 0.1463415), wk = 0.0025063 k( 305) = ( 0.3475610 0.1524390 0.1524390), wk = 0.0025063 k( 306) = ( 0.3414634 0.1585366 0.1585366), wk = 0.0025063 k( 307) = ( 0.3353659 0.1646342 0.1646341), wk = 0.0025063 k( 308) = ( 0.3292683 0.1707317 0.1707317), wk = 0.0025063 k( 309) = ( 0.3231707 0.1768293 0.1768293), wk = 0.0025063 k( 310) = ( 0.3170732 0.1829268 0.1829268), wk = 0.0025063 k( 311) = ( 0.3109756 0.1890244 0.1890244), wk = 0.0025063 k( 312) = ( 0.3048781 0.1951219 0.1951219), wk = 0.0025063 k( 313) = ( 0.2987805 0.2012195 0.2012195), wk = 0.0025063 k( 314) = ( 0.2926829 0.2073171 0.2073171), wk = 0.0025063 k( 315) = ( 0.2865854 0.2134146 0.2134146), wk = 0.0025063 k( 316) = ( 0.2804878 0.2195122 0.2195122), wk = 0.0025063 k( 317) = ( 0.2743902 0.2256098 0.2256098), wk = 0.0025063 k( 318) = ( 0.2682927 0.2317073 0.2317073), wk = 0.0025063 k( 319) = ( 0.2621951 0.2378049 0.2378049), wk = 0.0025063 k( 320) = ( 0.2560976 0.2439024 0.2439024), wk = 0.0025063 k( 321) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0025063 k( 322) = ( 0.0399096 -0.0399096 0.5000310), wk = 0.0025063 k( 323) = ( 0.0459638 -0.0459638 0.4939768), wk = 0.0025063 k( 324) = ( 0.0520180 -0.0520180 0.4879225), wk = 0.0025063 k( 325) = ( 0.0580723 -0.0580723 0.4818683), wk = 0.0025063 k( 326) = ( 0.0641265 -0.0641265 0.4758141), wk = 0.0025063 k( 327) = ( 0.0701807 -0.0701807 0.4697598), wk = 0.0025063 k( 328) = ( 0.0762350 -0.0762350 0.4637056), wk = 0.0025063 k( 329) = ( 0.0822892 -0.0822892 0.4576514), wk = 0.0025063 k( 330) = ( 0.0883434 -0.0883434 0.4515972), wk = 0.0025063 k( 331) = ( 0.0943976 -0.0943976 0.4455429), wk = 0.0025063 k( 332) = ( 0.1004519 -0.1004519 0.4394887), wk = 0.0025063 k( 333) = ( 0.1065061 -0.1065061 0.4334345), wk = 0.0025063 k( 334) = ( 0.1125603 -0.1125603 0.4273802), wk = 0.0025063 k( 335) = ( 0.1186146 -0.1186146 0.4213260), wk = 0.0025063 k( 336) = ( 0.1246688 -0.1246688 0.4152718), wk = 0.0025063 k( 337) = ( 0.1307230 -0.1307230 0.4092175), wk = 0.0025063 k( 338) = ( 0.1367772 -0.1367772 0.4031633), wk = 0.0025063 k( 339) = ( 0.1428315 -0.1428315 0.3971091), wk = 0.0025063 k( 340) = ( 0.1488857 -0.1488857 0.3910549), wk = 0.0025063 k( 341) = ( 0.1549399 -0.1549399 0.3850006), wk = 0.0025063 k( 342) = ( 0.1609942 -0.1609942 0.3789464), wk = 0.0025063 k( 343) = ( 0.1670484 -0.1670484 0.3728922), wk = 0.0025063 k( 344) = ( 0.1731026 -0.1731026 0.3668379), wk = 0.0025063 k( 345) = ( 0.1791569 -0.1791568 0.3607837), wk = 0.0025063 k( 346) = ( 0.1852111 -0.1852111 0.3547295), wk = 0.0025063 k( 347) = ( 0.1912653 -0.1912653 0.3486753), wk = 0.0025063 k( 348) = ( 0.1973195 -0.1973195 0.3426210), wk = 0.0025063 k( 349) = ( 0.2033738 -0.2033738 0.3365668), wk = 0.0025063 k( 350) = ( 0.2094280 -0.2094280 0.3305126), wk = 0.0025063 k( 351) = ( 0.2154822 -0.2154822 0.3244584), wk = 0.0025063 k( 352) = ( 0.2215365 -0.2215365 0.3184041), wk = 0.0025063 k( 353) = ( 0.2275907 -0.2275907 0.3123499), wk = 0.0025063 k( 354) = ( 0.2336449 -0.2336449 0.3062957), wk = 0.0025063 k( 355) = ( 0.2396991 -0.2396991 0.3002414), wk = 0.0025063 k( 356) = ( 0.2457534 -0.2457534 0.2941872), wk = 0.0025063 k( 357) = ( 0.2518076 -0.2518076 0.2881330), wk = 0.0025063 k( 358) = ( 0.2578618 -0.2578618 0.2820787), wk = 0.0025063 k( 359) = ( 0.2639161 -0.2639161 0.2760245), wk = 0.0025063 k( 360) = ( 0.2699703 -0.2699703 0.2699703), wk = 0.0025063 k( 361) = ( 0.7300297 0.2699703 -0.2699703), wk = 0.0025063 k( 362) = ( 0.7239763 0.2760237 -0.2760237), wk = 0.0025063 k( 363) = ( 0.7179229 0.2820771 -0.2820771), wk = 0.0025063 k( 364) = ( 0.7118695 0.2881305 -0.2881305), wk = 0.0025063 k( 365) = ( 0.7058161 0.2941839 -0.2941839), wk = 0.0025063 k( 366) = ( 0.6997626 0.3002374 -0.3002374), wk = 0.0025063 k( 367) = ( 0.6937092 0.3062908 -0.3062908), wk = 0.0025063 k( 368) = ( 0.6876558 0.3123442 -0.3123442), wk = 0.0025063 k( 369) = ( 0.6816024 0.3183976 -0.3183976), wk = 0.0025063 k( 370) = ( 0.6755490 0.3244510 -0.3244510), wk = 0.0025063 k( 371) = ( 0.6694956 0.3305044 -0.3305044), wk = 0.0025063 k( 372) = ( 0.6634422 0.3365578 -0.3365578), wk = 0.0025063 k( 373) = ( 0.6573887 0.3426113 -0.3426112), wk = 0.0025063 k( 374) = ( 0.6513353 0.3486647 -0.3486647), wk = 0.0025063 k( 375) = ( 0.6452819 0.3547181 -0.3547181), wk = 0.0025063 k( 376) = ( 0.6392285 0.3607715 -0.3607715), wk = 0.0025063 k( 377) = ( 0.6331751 0.3668249 -0.3668249), wk = 0.0025063 k( 378) = ( 0.6271217 0.3728783 -0.3728783), wk = 0.0025063 k( 379) = ( 0.6210683 0.3789317 -0.3789317), wk = 0.0025063 k( 380) = ( 0.6150149 0.3849851 -0.3849851), wk = 0.0025063 k( 381) = ( 0.6089614 0.3910386 -0.3910386), wk = 0.0025063 k( 382) = ( 0.6029080 0.3970920 -0.3970920), wk = 0.0025063 k( 383) = ( 0.5968546 0.4031454 -0.4031454), wk = 0.0025063 k( 384) = ( 0.5908012 0.4091988 -0.4091988), wk = 0.0025063 k( 385) = ( 0.5847478 0.4152522 -0.4152522), wk = 0.0025063 k( 386) = ( 0.5786944 0.4213056 -0.4213056), wk = 0.0025063 k( 387) = ( 0.5726410 0.4273590 -0.4273590), wk = 0.0025063 k( 388) = ( 0.5665876 0.4334125 -0.4334125), wk = 0.0025063 k( 389) = ( 0.5605341 0.4394659 -0.4394659), wk = 0.0025063 k( 390) = ( 0.5544807 0.4455193 -0.4455193), wk = 0.0025063 k( 391) = ( 0.5484273 0.4515727 -0.4515727), wk = 0.0025063 k( 392) = ( 0.5423739 0.4576261 -0.4576261), wk = 0.0025063 k( 393) = ( 0.5363205 0.4636795 -0.4636795), wk = 0.0025063 k( 394) = ( 0.5302671 0.4697329 -0.4697329), wk = 0.0025063 k( 395) = ( 0.5242136 0.4757864 -0.4757864), wk = 0.0025063 k( 396) = ( 0.5181602 0.4818398 -0.4818398), wk = 0.0025063 k( 397) = ( 0.5121068 0.4878932 -0.4878932), wk = 0.0025063 k( 398) = ( 0.5060534 0.4939466 -0.4939466), wk = 0.0025063 k( 399) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0025063 Dense grid: 68575 G-vectors FFT dimensions: ( 81, 81, 81) Smooth grid: 29941 G-vectors FFT dimensions: ( 64, 64, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.14 Mb ( 172, 52) NL pseudopotentials 0.15 Mb ( 86, 116) Each V/rho on FFT grid 0.20 Mb ( 13122) Each G-vector array 0.01 Mb ( 1429) G-vector shells 0.01 Mb ( 1318) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.55 Mb ( 172, 208) Each subspace H/S matrix 0.66 Mb ( 208, 208) Each matrix 0.18 Mb ( 116, 2, 52) Check: negative/imaginary core charge= -0.000006 0.000000 The potential is recalculated from file : ./Bi2CO5.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 42.6 secs Computing kpt #: 2 total cpu time spent up to now is 45.7 secs Computing kpt #: 3 total cpu time spent up to now is 48.6 secs Computing kpt #: 4 total cpu time spent up to now is 51.4 secs Computing kpt #: 5 total cpu time spent up to now is 54.3 secs Computing kpt #: 6 total cpu time spent up to now is 57.5 secs Computing kpt #: 7 total cpu time spent up to now is 60.5 secs Computing kpt #: 8 total cpu time spent up to now is 63.8 secs Computing kpt #: 9 total cpu time spent up to now is 66.9 secs Computing kpt #: 10 total cpu time spent up to now is 70.6 secs Computing kpt #: 11 total cpu time spent up to now is 74.7 secs Computing kpt #: 12 total cpu time spent up to now is 77.8 secs Computing kpt #: 13 total cpu time spent up to now is 81.0 secs Computing kpt #: 14 total cpu time spent up to now is 84.1 secs Computing kpt #: 15 total cpu time spent up to now is 87.8 secs Computing kpt #: 16 total cpu time spent up to now is 91.0 secs Computing kpt #: 17 total cpu time spent up to now is 94.5 secs Computing kpt #: 18 total cpu time spent up to now is 98.2 secs Computing kpt #: 19 total cpu time spent up to now is 101.6 secs Computing kpt #: 20 total cpu time spent up to now is 105.9 secs Computing kpt #: 21 total cpu time spent up to now is 109.8 secs Computing kpt #: 22 total cpu time spent up to now is 113.4 secs Computing kpt #: 23 total cpu time spent up to now is 118.4 secs Computing kpt #: 24 total cpu time spent up to now is 121.6 secs Computing kpt #: 25 total cpu time spent up to now is 124.6 secs Computing kpt #: 26 total cpu time spent up to now is 127.9 secs Computing kpt #: 27 total cpu time spent up to now is 131.2 secs Computing kpt #: 28 total cpu time spent up to now is 134.3 secs Computing kpt #: 29 total cpu time spent up to now is 137.4 secs Computing kpt #: 30 total cpu time spent up to now is 140.5 secs Computing kpt #: 31 total cpu time spent up to now is 143.6 secs Computing kpt #: 32 total cpu time spent up to now is 146.9 secs Computing kpt #: 33 total cpu time spent up to now is 149.9 secs Computing kpt #: 34 total cpu time spent up to now is 153.0 secs Computing kpt #: 35 total cpu time spent up to now is 156.5 secs Computing kpt #: 36 total cpu time spent up to now is 160.0 secs Computing kpt #: 37 total cpu time spent up to now is 163.4 secs Computing kpt #: 38 total cpu time spent up to now is 166.9 secs Computing kpt #: 39 total cpu time spent up to now is 169.9 secs Computing kpt #: 40 total cpu time spent up to now is 173.4 secs Computing kpt #: 41 total cpu time spent up to now is 176.7 secs Computing kpt #: 42 total cpu time spent up to now is 180.1 secs Computing kpt #: 43 total cpu time spent up to now is 183.7 secs Computing kpt #: 44 total cpu time spent up to now is 187.2 secs Computing kpt #: 45 total cpu time spent up to now is 190.6 secs Computing kpt #: 46 total cpu time spent up to now is 194.1 secs Computing kpt #: 47 total cpu time spent up to now is 197.6 secs Computing kpt #: 48 total cpu time spent up to now is 201.1 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 208.6 secs Computing kpt #: 51 total cpu time spent up to now is 212.4 secs Computing kpt #: 52 total cpu time spent up to now is 215.9 secs Computing kpt #: 53 total cpu time spent up to now is 219.3 secs Computing kpt #: 54 total cpu time spent up to now is 223.6 secs Computing kpt #: 55 total cpu time spent up to now is 227.4 secs Computing kpt #: 56 total cpu time spent up to now is 231.5 secs Computing kpt #: 57 total cpu time spent up to now is 235.8 secs Computing kpt #: 58 total cpu time spent up to now is 240.0 secs Computing kpt #: 59 total cpu time spent up to now is 244.5 secs Computing kpt #: 60 total cpu time spent up to now is 248.8 secs Computing kpt #: 61 total cpu time spent up to now is 253.1 secs Computing kpt #: 62 total cpu time spent up to now is 257.3 secs Computing kpt #: 63 total cpu time spent up to now is 261.1 secs Computing kpt #: 64 total cpu time spent up to now is 265.6 secs Computing kpt #: 65 total cpu time spent up to now is 269.8 secs Computing kpt #: 66 total cpu time spent up to now is 274.1 secs Computing kpt #: 67 total cpu time spent up to now is 278.2 secs Computing kpt #: 68 total cpu time spent up to now is 282.3 secs Computing kpt #: 69 total cpu time spent up to now is 286.4 secs Computing kpt #: 70 total cpu time spent up to now is 290.3 secs Computing kpt #: 71 total cpu time spent up to now is 294.0 secs Computing kpt #: 72 total cpu time spent up to now is 297.5 secs Computing kpt #: 73 total cpu time spent up to now is 301.1 secs Computing kpt #: 74 total cpu time spent up to now is 304.6 secs Computing kpt #: 75 total cpu time spent up to now is 308.0 secs Computing kpt #: 76 total cpu time spent up to now is 311.2 secs Computing kpt #: 77 total cpu time spent up to now is 314.2 secs Computing kpt #: 78 total cpu time spent up to now is 317.5 secs Computing kpt #: 79 total cpu time spent up to now is 320.7 secs Computing kpt #: 80 total cpu time spent up to now is 323.7 secs Computing kpt #: 81 total cpu time spent up to now is 327.2 secs Computing kpt #: 82 total cpu time spent up to now is 330.6 secs Computing kpt #: 83 total cpu time spent up to now is 334.2 secs Computing kpt #: 84 total cpu time spent up to now is 337.4 secs Computing kpt #: 85 total cpu time spent up to now is 340.5 secs Computing kpt #: 86 total cpu time spent up to now is 344.8 secs Computing kpt #: 87 total cpu time spent up to now is 348.0 secs Computing kpt #: 88 total cpu time spent up to now is 351.2 secs Computing kpt #: 89 total cpu time spent up to now is 354.4 secs Computing kpt #: 90 total cpu time spent up to now is 357.5 secs Computing kpt #: 91 total cpu time spent up to now is 361.0 secs Computing kpt #: 92 total cpu time spent up to now is 364.2 secs Computing kpt #: 93 total cpu time spent up to now is 367.6 secs Computing kpt #: 94 total cpu time spent up to now is 371.4 secs Computing kpt #: 95 total cpu time spent up to now is 375.1 secs Computing kpt #: 96 total cpu time spent up to now is 378.6 secs Computing kpt #: 97 total cpu time spent up to now is 382.3 secs Computing kpt #: 98 total cpu time spent up to now is 385.4 secs Computing kpt #: 99 total cpu time spent up to now is 388.5 secs Computing kpt #: 100 total cpu time spent up to now is 391.9 secs Computing kpt #: 101 total cpu time spent up to now is 394.9 secs Computing kpt #: 102 total cpu time spent up to now is 398.2 secs Computing kpt #: 103 total cpu time spent up to now is 401.7 secs Computing kpt #: 104 total cpu time spent up to now is 405.3 secs Computing kpt #: 105 total cpu time spent up to now is 408.5 secs Computing kpt #: 106 total cpu time spent up to now is 411.5 secs Computing kpt #: 107 total cpu time spent up to now is 414.5 secs Computing kpt #: 108 total cpu time spent up to now is 417.9 secs Computing kpt #: 109 total cpu time spent up to now is 421.5 secs Computing kpt #: 110 total cpu time spent up to now is 424.5 secs Computing kpt #: 111 total cpu time spent up to now is 427.6 secs Computing kpt #: 112 total cpu time spent up to now is 431.0 secs Computing kpt #: 113 total cpu time spent up to now is 434.4 secs Computing kpt #: 114 total cpu time spent up to now is 437.9 secs Computing kpt #: 115 total cpu time spent up to now is 441.1 secs Computing kpt #: 116 total cpu time spent up to now is 444.5 secs Computing kpt #: 117 total cpu time spent up to now is 447.6 secs Computing kpt #: 118 total cpu time spent up to now is 450.8 secs Computing kpt #: 119 total cpu time spent up to now is 454.4 secs Computing kpt #: 120 total cpu time spent up to now is 457.4 secs Computing kpt #: 121 total cpu time 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to now is 521.4 secs Computing kpt #: 137 total cpu time spent up to now is 525.6 secs Computing kpt #: 138 total cpu time spent up to now is 529.3 secs Computing kpt #: 139 total cpu time spent up to now is 533.0 secs Computing kpt #: 140 total cpu time spent up to now is 536.7 secs Computing kpt #: 141 total cpu time spent up to now is 540.5 secs Computing kpt #: 142 total cpu time spent up to now is 544.1 secs Computing kpt #: 143 total cpu time spent up to now is 547.3 secs Computing kpt #: 144 total cpu time spent up to now is 550.3 secs Computing kpt #: 145 total cpu time spent up to now is 554.0 secs Computing kpt #: 146 total cpu time spent up to now is 558.7 secs Computing kpt #: 147 total cpu time spent up to now is 562.5 secs Computing kpt #: 148 total cpu time spent up to now is 565.5 secs Computing kpt #: 149 total cpu time spent up to now is 568.7 secs Computing kpt #: 150 total cpu time spent up to now is 571.8 secs Computing kpt #: 151 total cpu time spent up to now is 575.0 secs Computing kpt #: 152 total cpu time spent up to now is 578.6 secs Computing kpt #: 153 total cpu time spent up to now is 582.1 secs Computing kpt #: 154 total cpu time spent up to now is 585.2 secs Computing kpt #: 155 total cpu time spent up to now is 588.7 secs Computing kpt #: 156 total cpu time spent up to now is 591.9 secs Computing kpt #: 157 total cpu time spent up to now is 595.0 secs Computing kpt #: 158 total cpu time spent up to now is 598.6 secs Computing kpt #: 159 total cpu time spent up to now is 601.7 secs Computing kpt #: 160 total cpu time spent up to now is 605.3 secs Computing kpt #: 161 total cpu time spent up to now is 609.0 secs Computing kpt #: 162 total cpu time spent up to now is 612.8 secs Computing kpt #: 163 total cpu time spent up to now is 616.6 secs Computing kpt #: 164 total cpu time spent up to now is 620.5 secs Computing kpt #: 165 total cpu time spent up to now is 624.7 secs Computing kpt #: 166 total cpu time spent up to now is 628.8 secs Computing kpt #: 167 total cpu time spent up to now is 633.1 secs Computing kpt #: 168 total cpu time spent up to now is 637.9 secs Computing kpt #: 169 total cpu time spent up to now is 642.4 secs Computing kpt #: 170 total cpu time spent up to now is 646.8 secs Computing kpt #: 171 total cpu time spent up to now is 650.9 secs Computing kpt #: 172 total cpu time spent up to now is 655.2 secs Computing kpt #: 173 total cpu time spent up to now is 659.3 secs Computing kpt #: 174 total cpu time spent up to now is 663.4 secs Computing kpt #: 175 total cpu time spent up to now is 667.3 secs Computing kpt #: 176 total cpu time spent up to now is 672.6 secs Computing kpt #: 177 total cpu time spent up to now is 678.0 secs Computing kpt #: 178 total cpu time spent up to now is 682.2 secs Computing kpt #: 179 total cpu time spent up to now is 686.6 secs Computing kpt #: 180 total cpu time spent up to now is 692.0 secs Computing kpt #: 181 total cpu time spent up to now is 696.8 secs Computing kpt #: 182 total cpu time spent up to now is 701.0 secs Computing kpt #: 183 total cpu time spent up to now is 706.2 secs Computing kpt #: 184 total cpu time spent up to now is 710.6 secs Computing kpt #: 185 total cpu time spent up to now is 714.9 secs Computing kpt #: 186 total cpu time spent up to now is 719.0 secs Computing kpt #: 187 total cpu time spent up to now is 722.2 secs Computing kpt #: 188 total cpu time spent up to now is 725.6 secs Computing kpt #: 189 total cpu time spent up to now is 728.6 secs Computing kpt #: 190 total cpu time spent up to now is 731.6 secs Computing kpt #: 191 total cpu time spent up to now is 734.5 secs Computing kpt #: 192 total cpu time spent up to now is 737.5 secs Computing kpt #: 193 total cpu time spent up to now is 740.6 secs Computing kpt #: 194 total cpu time spent up to now is 743.5 secs Computing kpt #: 195 total cpu time spent up to now is 746.4 secs Computing kpt #: 196 total cpu time spent up to now is 749.2 secs Computing kpt #: 197 total cpu time spent up to now is 752.0 secs Computing kpt #: 198 total cpu time spent up to now is 754.6 secs Computing kpt #: 199 total cpu time spent up to now is 757.5 secs Computing kpt #: 200 total cpu time spent up to now is 760.3 secs Computing kpt #: 201 total cpu time spent up to now is 763.1 secs Computing kpt #: 202 total cpu time spent up to now is 765.9 secs Computing kpt #: 203 total cpu time spent up to now is 768.8 secs Computing kpt #: 204 total cpu time spent up to now is 771.7 secs Computing kpt #: 205 total cpu time spent up to now is 774.6 secs Computing kpt #: 206 total cpu time spent up to now is 777.6 secs Computing kpt #: 207 total cpu time spent up to now is 780.6 secs Computing kpt #: 208 total cpu time spent up to now is 783.6 secs Computing kpt #: 209 total cpu time spent up to now is 786.5 secs Computing kpt #: 210 total cpu time spent up to now is 789.4 secs Computing kpt #: 211 total cpu time spent up to now is 792.5 secs Computing kpt #: 212 total cpu time spent up to now is 795.5 secs Computing kpt #: 213 total cpu time spent up to now is 798.9 secs Computing kpt #: 214 total cpu time spent up to now is 802.0 secs Computing kpt #: 215 total cpu time spent up to now is 805.0 secs Computing kpt #: 216 total cpu time spent up to now is 808.0 secs Computing kpt #: 217 total cpu time spent up to now is 812.2 secs Computing kpt #: 218 total cpu time spent up to now is 815.3 secs Computing kpt #: 219 total cpu time spent up to now is 818.2 secs Computing kpt #: 220 total cpu time spent up to now is 821.1 secs Computing kpt #: 221 total cpu time spent up to now is 824.1 secs Computing kpt #: 222 total cpu time spent up to now is 827.0 secs Computing kpt #: 223 total cpu time spent up to now is 829.9 secs Computing kpt #: 224 total cpu time spent up to now is 833.0 secs Computing kpt #: 225 total cpu time spent up to now is 836.0 secs Computing kpt #: 226 total cpu time spent up to now is 838.9 secs Computing kpt #: 227 total cpu time spent up to now is 842.4 secs Computing kpt #: 228 total cpu time spent up to now is 845.3 secs Computing kpt #: 229 total cpu time spent up to now is 848.5 secs Computing kpt #: 230 total cpu time spent up to now is 851.6 secs Computing kpt #: 231 total cpu time spent up to now is 854.6 secs Computing kpt #: 232 total cpu time spent up to now is 857.7 secs Computing kpt #: 233 total cpu time spent up to now is 860.6 secs Computing kpt #: 234 total cpu time spent up to now is 863.8 secs Computing kpt #: 235 total cpu time spent up to now is 867.3 secs Computing kpt #: 236 total cpu time spent up to now is 873.5 secs Computing kpt #: 237 total cpu time spent up to now is 877.3 secs Computing kpt #: 238 total cpu time spent up to now is 880.8 secs Computing kpt #: 239 total cpu time spent up to now is 884.2 secs Computing kpt #: 240 total cpu time spent up to now is 888.2 secs Computing kpt #: 241 total cpu time spent up to now is 892.0 secs Computing kpt #: 242 total cpu time spent up to now is 896.3 secs Computing kpt #: 243 total cpu time spent up to now is 900.7 secs Computing kpt #: 244 total cpu time spent up to now is 905.6 secs Computing kpt #: 245 total cpu time spent up to now is 910.0 secs Computing kpt #: 246 total cpu time spent up to now is 915.3 secs Computing kpt #: 247 total cpu time spent up to now is 920.0 secs Computing kpt #: 248 total cpu time spent up to now is 924.2 secs Computing kpt #: 249 total cpu time spent up to now is 929.5 secs Computing kpt #: 250 total cpu time spent up to now is 935.1 secs Computing kpt #: 251 total cpu time spent up to now is 940.6 secs Computing kpt #: 252 total cpu time spent up to now is 946.0 secs Computing kpt #: 253 total cpu time spent up to now is 951.6 secs Computing kpt #: 254 total cpu time spent up to now is 956.4 secs Computing kpt #: 255 total cpu time spent up to now is 961.0 secs Computing kpt #: 256 total cpu time spent up to now is 965.4 secs Computing kpt #: 257 total cpu time spent up to now is 969.7 secs Computing kpt #: 258 total cpu time spent up to now is 976.6 secs Computing kpt #: 259 total cpu time spent up to now is 979.9 secs Computing kpt #: 260 total cpu time spent up to now is 983.8 secs Computing kpt #: 261 total cpu time spent up to now is 987.1 secs Computing kpt #: 262 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 993.0 secs Computing kpt #: 263 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 998.8 secs Computing kpt #: 264 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1004.7 secs Computing kpt #: 265 total cpu time spent up to now is 1009.2 secs Computing kpt #: 266 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1015.0 secs Computing kpt #: 267 total cpu time spent up to now is 1020.5 secs Computing kpt #: 268 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1026.3 secs Computing kpt #: 269 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1033.2 secs Computing kpt #: 270 total cpu time spent up to now is 1038.8 secs Computing kpt #: 271 total cpu time spent up to now is 1044.4 secs Computing kpt #: 272 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1050.1 secs Computing kpt #: 273 total cpu time spent up to now is 1054.6 secs Computing kpt #: 274 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1060.7 secs Computing kpt #: 275 total cpu time spent up to now is 1064.9 secs Computing kpt #: 276 total cpu time spent up to now is 1069.4 secs Computing kpt #: 277 total cpu time spent up to now is 1073.8 secs Computing kpt #: 278 total cpu time spent up to now is 1078.2 secs Computing kpt #: 279 total cpu time spent up to now is 1083.1 secs Computing kpt #: 280 total cpu time spent up to now is 1087.4 secs Computing kpt #: 281 total cpu time spent up to now is 1092.6 secs Computing kpt #: 282 total cpu time spent up to now is 1097.4 secs Computing kpt #: 283 total cpu time spent up to now is 1103.2 secs Computing kpt #: 284 total cpu time spent up to now is 1107.1 secs Computing kpt #: 285 total cpu time spent up to now is 1110.3 secs Computing kpt #: 286 total cpu time spent up to now is 1113.4 secs Computing kpt #: 287 total cpu time spent up to now is 1118.2 secs Computing kpt #: 288 total cpu time spent up to now is 1122.8 secs Computing kpt #: 289 total cpu time spent up to now is 1127.1 secs Computing kpt #: 290 total cpu time spent up to now is 1132.1 secs Computing kpt #: 291 total cpu time spent up to now is 1135.5 secs Computing kpt #: 292 total cpu time spent up to now is 1140.2 secs Computing kpt #: 293 total cpu time spent up to now is 1143.3 secs Computing kpt #: 294 total cpu time spent up to now is 1146.5 secs Computing kpt #: 295 total cpu time spent up to now is 1149.5 secs Computing kpt #: 296 total cpu time spent up to now is 1152.5 secs Computing kpt #: 297 total cpu time spent up to now is 1155.5 secs Computing kpt #: 298 total cpu time spent up to now is 1158.4 secs Computing kpt #: 299 total cpu time spent up to now is 1161.4 secs Computing kpt #: 300 total cpu time spent up to now is 1164.4 secs Computing kpt #: 301 total cpu time spent up to now is 1167.3 secs Computing kpt #: 302 total cpu time spent up to now is 1170.4 secs Computing kpt #: 303 total cpu time spent up to now is 1173.3 secs Computing kpt #: 304 total cpu time spent up to now is 1176.4 secs Computing kpt #: 305 total cpu time spent up to now is 1179.4 secs Computing kpt #: 306 total cpu time spent up to now is 1182.3 secs Computing kpt #: 307 total cpu time spent up to now is 1185.2 secs Computing kpt #: 308 total cpu time spent up to now is 1188.2 secs Computing kpt #: 309 total cpu time spent up to now is 1191.1 secs Computing kpt #: 310 total cpu time spent up to now is 1194.0 secs Computing kpt #: 311 total cpu time spent up to now is 1197.0 secs Computing kpt #: 312 total cpu time spent up to now is 1200.0 secs Computing kpt #: 313 total cpu time spent up to now is 1203.0 secs Computing kpt #: 314 total cpu time spent up to now is 1206.0 secs Computing kpt #: 315 total cpu time spent up to now is 1208.9 secs Computing kpt #: 316 total cpu time spent up to now is 1212.0 secs Computing kpt #: 317 total cpu time spent up to now is 1215.0 secs Computing kpt #: 318 total cpu time spent up to now is 1217.9 secs Computing kpt #: 319 total cpu time spent up to now is 1221.4 secs Computing kpt #: 320 total cpu time spent up to now is 1225.0 secs Computing kpt #: 321 total cpu time spent up to now is 1227.9 secs Computing kpt #: 322 total cpu time spent up to now is 1231.5 secs Computing kpt #: 323 total cpu time spent up to now is 1235.5 secs Computing kpt #: 324 total cpu time spent up to now is 1238.6 secs Computing kpt #: 325 total cpu time spent up to now is 1242.0 secs Computing kpt #: 326 total cpu time spent up to now is 1245.1 secs Computing kpt #: 327 total cpu time spent up to now is 1248.2 secs Computing kpt #: 328 total cpu time spent up to now is 1251.1 secs Computing kpt #: 329 total cpu time spent up to now is 1254.1 secs Computing kpt #: 330 total cpu time spent up to now is 1257.1 secs Computing kpt #: 331 total cpu time spent up to now is 1260.2 secs Computing kpt #: 332 total cpu time spent up to now is 1264.6 secs Computing kpt #: 333 total cpu time spent up to now is 1267.5 secs Computing kpt #: 334 total cpu time spent up to now is 1270.9 secs Computing kpt #: 335 total cpu time spent up to now is 1274.7 secs Computing kpt #: 336 total cpu time spent up to now is 1277.6 secs Computing kpt #: 337 total cpu time spent up to now is 1280.8 secs Computing kpt #: 338 total cpu time spent up to now is 1283.8 secs Computing kpt #: 339 total cpu time spent up to now is 1287.3 secs Computing kpt #: 340 total cpu time spent up to now is 1290.7 secs Computing kpt #: 341 total cpu time spent up to now is 1293.7 secs Computing kpt #: 342 total cpu time spent up to now is 1296.7 secs Computing kpt #: 343 total cpu time spent up to now is 1299.9 secs Computing kpt #: 344 total cpu time spent up to now is 1302.9 secs Computing kpt #: 345 total cpu time spent up to now is 1306.0 secs Computing kpt #: 346 total cpu time spent up to now is 1309.0 secs Computing kpt #: 347 total cpu time spent up to now is 1312.0 secs Computing kpt #: 348 total cpu time spent up to now is 1315.1 secs Computing kpt #: 349 total cpu time spent up to now is 1318.3 secs Computing kpt #: 350 total cpu time spent up to now is 1322.5 secs Computing kpt #: 351 total cpu time spent up to now is 1327.4 secs Computing kpt #: 352 total cpu time spent up to now is 1332.1 secs Computing kpt #: 353 total cpu time spent up to now is 1337.6 secs Computing kpt #: 354 total cpu time spent up to now is 1342.0 secs Computing kpt #: 355 total cpu time spent up to now is 1346.7 secs Computing kpt #: 356 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1352.5 secs Computing kpt #: 357 total cpu time spent up to now is 1357.4 secs Computing kpt #: 358 total cpu time spent up to now is 1363.0 secs Computing kpt #: 359 total cpu time spent up to now is 1367.6 secs Computing kpt #: 360 total cpu time spent up to now is 1373.1 secs Computing kpt #: 361 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1379.1 secs Computing kpt #: 362 total cpu time spent up to now is 1383.8 secs Computing kpt #: 363 total cpu time spent up to now is 1388.1 secs Computing kpt #: 364 total cpu time spent up to now is 1392.9 secs Computing kpt #: 365 total cpu time spent up to now is 1397.7 secs Computing kpt #: 366 total cpu time spent up to now is 1402.1 secs Computing kpt #: 367 total cpu time spent up to now is 1406.4 secs Computing kpt #: 368 total cpu time spent up to now is 1409.9 secs Computing kpt #: 369 total cpu time spent up to now is 1413.7 secs Computing kpt #: 370 total cpu time spent up to now is 1417.3 secs Computing kpt #: 371 total cpu time spent up to now is 1420.8 secs Computing kpt #: 372 total cpu time spent up to now is 1424.1 secs Computing kpt #: 373 total cpu time spent up to now is 1428.0 secs Computing kpt #: 374 total cpu time spent up to now is 1432.3 secs Computing kpt #: 375 total cpu time spent up to now is 1436.1 secs Computing kpt #: 376 total cpu time spent up to now is 1440.3 secs Computing kpt #: 377 total cpu time spent up to now is 1444.5 secs Computing kpt #: 378 total cpu time spent up to now is 1448.0 secs Computing kpt #: 379 total cpu time spent up to now is 1451.8 secs Computing kpt #: 380 total cpu time spent up to now is 1455.5 secs Computing kpt #: 381 total cpu time spent up to now is 1459.2 secs Computing kpt #: 382 total cpu time spent up to now is 1463.5 secs Computing kpt #: 383 total cpu time spent up to now is 1466.6 secs Computing kpt #: 384 total cpu time spent up to now is 1470.0 secs Computing kpt #: 385 total cpu time spent up to now is 1473.1 secs Computing kpt #: 386 total cpu time spent up to now is 1476.1 secs Computing kpt #: 387 total cpu time spent up to now is 1479.1 secs Computing kpt #: 388 total cpu time spent up to now is 1482.0 secs Computing kpt #: 389 total cpu time spent up to now is 1484.9 secs Computing kpt #: 390 total cpu time spent up to now is 1487.8 secs Computing kpt #: 391 total cpu time spent up to now is 1490.6 secs Computing kpt #: 392 total cpu time spent up to now is 1493.5 secs Computing kpt #: 393 total cpu time spent up to now is 1496.4 secs Computing kpt #: 394 total cpu time spent up to now is 1499.2 secs Computing kpt #: 395 total cpu time spent up to now is 1502.4 secs Computing kpt #: 396 total cpu time spent up to now is 1505.2 secs Computing kpt #: 397 total cpu time spent up to now is 1508.0 secs Computing kpt #: 398 total cpu time spent up to now is 1510.9 secs Computing kpt #: 399 total cpu time spent up to now is 1513.6 secs ethr = 2.27E-11, avg # of iterations = 49.3 total cpu time spent up to now is 1513.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3717 PWs) bands (ev): -16.6858 -16.6858 -13.1943 -13.1943 -12.5138 -12.5138 -11.3753 -11.3753 -10.1379 -10.1379 -4.5740 -4.5740 -3.4489 -3.4489 -1.1958 -1.1958 -0.3622 -0.3622 0.3722 0.3722 1.1307 1.1307 1.5871 1.5871 2.9436 2.9436 4.0327 4.0327 4.3582 4.3582 4.5451 4.5451 4.7416 4.7416 4.7624 4.7624 5.2634 5.2634 5.2788 5.2788 5.4174 5.4174 7.9844 7.9844 8.5131 8.5131 9.0287 9.0287 10.7608 10.7608 11.6799 11.6799 k =-0.0061 0.0154 0.0165 ( 3725 PWs) bands (ev): -16.6850 -16.6850 -13.1965 -13.1964 -12.5132 -12.5127 -11.3747 -11.3746 -10.1388 -10.1384 -4.5724 -4.5721 -3.4490 -3.4490 -1.1966 -1.1953 -0.3613 -0.3611 0.3701 0.3723 1.1254 1.1375 1.5871 1.5888 2.9364 2.9415 4.0182 4.0516 4.3276 4.3842 4.5248 4.5645 4.7392 4.7414 4.7617 4.7640 5.2508 5.2703 5.2757 5.2824 5.4155 5.4238 7.9850 7.9907 8.5070 8.5107 9.0160 9.0447 10.7637 10.7638 11.6621 11.6901 k =-0.0123 0.0307 0.0331 ( 3721 PWs) bands (ev): -16.6828 -16.6827 -13.2029 -13.2027 -12.5109 -12.5098 -11.3728 -11.3726 -10.1412 -10.1403 -4.5671 -4.5665 -3.4491 -3.4490 -1.1974 -1.1950 -0.3584 -0.3581 0.3660 0.3703 1.1215 1.1459 1.5887 1.5922 2.9203 2.9300 4.0070 4.0741 4.2946 4.4037 4.5072 4.5808 4.7341 4.7382 4.7614 4.7667 5.2377 5.2669 5.2697 5.2903 5.4187 5.4336 7.9924 8.0040 8.4924 8.5000 9.0065 9.0637 10.7726 10.7726 11.6375 11.6924 k =-0.0184 0.0461 0.0496 ( 3721 PWs) bands (ev): -16.6790 -16.6789 -13.2135 -13.2133 -12.5067 -12.5052 -11.3697 -11.3693 -10.1450 -10.1438 -4.5582 -4.5574 -3.4492 -3.4491 -1.1985 -1.1949 -0.3535 -0.3532 0.3600 0.3664 1.1191 1.1557 1.5921 1.5974 2.8965 2.9097 3.9972 4.0974 4.2628 4.4151 4.4958 4.5924 4.7265 4.7324 4.7608 4.7693 5.2267 5.2579 5.2606 5.2986 5.4268 5.4456 8.0062 8.0239 8.4694 8.4811 9.0003 9.0857 10.7872 10.7872 11.6065 11.6865 k =-0.0245 0.0614 0.0662 ( 3710 PWs) bands (ev): -16.6738 -16.6736 -13.2283 -13.2280 -12.5009 -12.4988 -11.3653 -11.3648 -10.1503 -10.1486 -4.5459 -4.5448 -3.4493 -3.4491 -1.1998 -1.1951 -0.3468 -0.3463 0.3521 0.3604 1.1181 1.1671 1.5971 1.6042 2.8663 2.8816 3.9864 4.1130 4.2402 4.4185 4.4925 4.5987 4.7160 4.7243 4.7592 4.7696 5.2192 5.2453 5.2493 5.3073 5.4388 5.4592 8.0255 8.0502 8.4383 8.4547 8.9975 9.1106 10.8072 10.8075 11.5700 11.6722 k =-0.0307 0.0768 0.0827 ( 3712 PWs) bands (ev): -16.6670 -16.6668 -13.2470 -13.2466 -12.4933 -12.4907 -11.3597 -11.3592 -10.1570 -10.1549 -4.5302 -4.5289 -3.4492 -3.4490 -1.2014 -1.1957 -0.3380 -0.3374 0.3423 0.3524 1.1186 1.1799 1.6037 1.6126 2.8309 2.8470 3.9722 4.1068 4.2403 4.4173 4.4951 4.5995 4.7026 4.7142 4.7559 4.7659 5.2139 5.2297 5.2392 5.3178 5.4531 5.4737 8.0491 8.0820 8.3996 8.4219 8.9979 9.1382 10.8324 10.8332 11.5287 11.6497 k =-0.0368 0.0921 0.0993 ( 3706 PWs) bands (ev): -16.6587 -16.6585 -13.2696 -13.2691 -12.4839 -12.4808 -11.3531 -11.3525 -10.1652 -10.1627 -4.5113 -4.5098 -3.4488 -3.4486 -1.2033 -1.1967 -0.3274 -0.3267 0.3307 0.3425 1.1206 1.1943 1.6119 1.6228 2.7916 2.8073 3.9532 4.0788 4.2618 4.4142 4.5007 4.5950 4.6867 4.7023 4.7510 4.7573 5.2038 5.2120 5.2389 5.3312 5.4686 5.4888 8.0743 8.1177 8.3548 8.3850 9.0016 9.1683 10.8623 10.8640 11.4838 11.6196 k =-0.0429 0.1075 0.1158 ( 3714 PWs) bands (ev): -16.6490 -16.6488 -13.2959 -13.2953 -12.4729 -12.4692 -11.3456 -11.3449 -10.1749 -10.1720 -4.4896 -4.4877 -3.4481 -3.4478 -1.2057 -1.1983 -0.3148 -0.3140 0.3174 0.3308 1.1240 1.2101 1.6217 1.6346 2.7498 2.7637 3.9291 4.0410 4.2909 4.4086 4.5075 4.5852 4.6694 4.6883 4.7450 4.7454 5.1874 5.1928 5.2501 5.3480 5.4845 5.5043 8.0956 8.1522 8.3087 8.3494 9.0084 9.2005 10.8961 10.8995 11.4365 11.5826 k =-0.0491 0.1228 0.1324 ( 3714 PWs) bands (ev): -16.6378 -16.6376 -13.3256 -13.3249 -12.4601 -12.4560 -11.3372 -11.3364 -10.1860 -10.1827 -4.4650 -4.4630 -3.4468 -3.4465 -1.2086 -1.2006 -0.3003 -0.2994 0.3025 0.3172 1.1289 1.2274 1.6331 1.6480 2.7063 2.7175 3.9006 3.9999 4.3185 4.3984 4.5123 4.5702 4.6526 4.6713 4.7342 4.7397 5.1686 5.1731 5.2685 5.3681 5.5004 5.5202 8.1015 8.1644 8.2822 8.3264 9.0180 9.2344 10.9330 10.9393 11.3884 11.5401 k =-0.0552 0.1382 0.1489 ( 3718 PWs) bands (ev): -16.6252 -16.6249 -13.3586 -13.3578 -12.4456 -12.4410 -11.3281 -11.3272 -10.1987 -10.1949 -4.4381 -4.4359 -3.4447 -3.4443 -1.2122 -1.2038 -0.2840 -0.2830 0.2860 0.3020 1.1352 1.2461 1.6460 1.6630 2.6621 2.6698 3.8689 3.9579 4.3385 4.3825 4.5088 4.5501 4.6388 4.6499 4.7291 4.7387 5.1496 5.1538 5.2913 5.3908 5.5159 5.5363 8.0782 8.1244 8.3050 8.3296 9.0301 9.2695 10.9712 10.9827 11.3419 11.4935 k =-0.0613 0.1535 0.1655 ( 3728 PWs) bands (ev): -16.6111 -16.6108 -13.3946 -13.3938 -12.4295 -12.4244 -11.3184 -11.3173 -10.2128 -10.2087 -4.4090 -4.4066 -3.4416 -3.4411 -1.2166 -1.2080 -0.2658 -0.2647 0.2682 0.2852 1.1432 1.2661 1.6603 1.6796 2.6179 2.6215 3.8352 3.9163 4.3463 4.3604 4.4919 4.5248 4.6246 4.6270 4.7337 4.7473 5.1314 5.1355 5.3166 5.4156 5.5307 5.5528 8.0264 8.0558 8.3536 8.3582 9.0446 9.3053 11.0073 11.0291 11.3008 11.4446 k =-0.0675 0.1689 0.1820 ( 3726 PWs) bands (ev): -16.5956 -16.5952 -13.4334 -13.4326 -12.4117 -12.4061 -11.3082 -11.3069 -10.2284 -10.2238 -4.3782 -4.3756 -3.4372 -3.4367 -1.2220 -1.2133 -0.2458 -0.2446 0.2490 0.2670 1.1526 1.2874 1.6760 1.6977 2.5734 2.5744 3.8006 3.8755 4.3325 4.3389 4.4628 4.4947 4.5977 4.6126 4.7490 4.7679 5.1148 5.1190 5.3430 5.4416 5.5448 5.5695 7.9564 7.9756 8.4018 8.4106 9.0612 9.3411 11.0350 11.0770 11.2724 11.3956 k =-0.0736 0.1843 0.1986 ( 3722 PWs) bands (ev): -16.5787 -16.5783 -13.4749 -13.4740 -12.3923 -12.3862 -11.2975 -11.2962 -10.2456 -10.2405 -4.3460 -4.3433 -3.4314 -3.4307 -1.2284 -1.2199 -0.2240 -0.2227 0.2288 0.2475 1.1637 1.3099 1.6931 1.7173 2.5263 2.5323 3.7659 3.8361 4.2990 4.3166 4.4251 4.4597 4.5704 4.5932 4.7736 4.7985 5.1004 5.1047 5.3693 5.4681 5.5580 5.5866 7.8753 7.8881 8.4531 8.4716 9.0796 9.3762 11.0444 11.1241 11.2669 11.3497 k =-0.0798 0.1996 0.2151 ( 3722 PWs) bands (ev): -16.5604 -16.5600 -13.5187 -13.5177 -12.3712 -12.3648 -11.2865 -11.2851 -10.2642 -10.2587 -4.3127 -4.3100 -3.4239 -3.4230 -1.2361 -1.2281 -0.2005 -0.1990 0.2077 0.2269 1.1764 1.3336 1.7114 1.7383 2.4810 2.4919 3.7318 3.7981 4.2602 4.2817 4.3820 4.4207 4.5428 4.5692 4.8050 4.8352 5.0885 5.0929 5.3947 5.4944 5.5703 5.6040 7.7866 7.7951 8.5083 8.5348 9.0996 9.4100 11.0321 11.1629 11.2880 11.3145 k =-0.0859 0.2150 0.2317 ( 3730 PWs) bands (ev): -16.5407 -16.5403 -13.5646 -13.5637 -12.3486 -12.3417 -11.2754 -11.2738 -10.2843 -10.2784 -4.2789 -4.2762 -3.4144 -3.4132 -1.2452 -1.2379 -0.1752 -0.1737 0.1858 0.2053 1.1907 1.3584 1.7309 1.7606 2.4380 2.4538 3.6986 3.7617 4.2165 4.2372 4.3355 4.3786 4.5142 4.5414 4.8404 4.8750 5.0794 5.0837 5.4186 5.5197 5.5816 5.6215 7.6922 7.6976 8.5651 8.5988 9.1213 9.4418 11.0071 11.1745 11.3093 11.3271 k =-0.0920 0.2303 0.2482 ( 3720 PWs) bands (ev): -16.5198 -16.5193 -13.6125 -13.6115 -12.3244 -12.3171 -11.2641 -11.2624 -10.3059 -10.2996 -4.2449 -4.2423 -3.4027 -3.4012 -1.2559 -1.2495 -0.1483 -0.1467 0.1634 0.1830 1.2066 1.3841 1.7514 1.7842 2.3980 2.4185 3.6667 3.7268 4.1680 4.1857 4.2872 4.3345 4.4841 4.5107 4.8773 4.9157 5.0730 5.0771 5.4407 5.5432 5.5923 5.6388 7.5937 7.5967 8.6216 8.6627 9.1447 9.4710 10.9789 11.1524 11.3399 11.3741 k =-0.0982 0.2457 0.2648 ( 3720 PWs) bands (ev): -16.4975 -16.4970 -13.6620 -13.6610 -12.2987 -12.2909 -11.2528 -11.2510 -10.3290 -10.3222 -4.2112 -4.2086 -3.3886 -3.3868 -1.2682 -1.2630 -0.1199 -0.1181 0.1406 0.1600 1.2243 1.4107 1.7728 1.8089 2.3616 2.3863 3.6362 3.6931 4.1150 4.1290 4.2383 4.2896 4.4521 4.4776 4.9138 4.9560 5.0695 5.0729 5.4609 5.5638 5.6028 5.6557 7.4923 7.4932 8.6761 8.7252 9.1702 9.4972 10.9528 11.1180 11.3835 11.4221 k =-0.1043 0.2610 0.2813 ( 3728 PWs) bands (ev): -16.4740 -16.4735 -13.7131 -13.7121 -12.2715 -12.2633 -11.2415 -11.2396 -10.3536 -10.3463 -4.1780 -4.1756 -3.3720 -3.3697 -1.2823 -1.2785 -0.0899 -0.0880 0.1176 0.1366 1.2435 1.4380 1.7949 1.8346 2.3295 2.3577 3.6070 3.6603 4.0582 4.0687 4.1896 4.2447 4.4183 4.4424 4.9482 4.9944 5.0690 5.0712 5.4790 5.5802 5.6140 5.6715 7.3881 7.3889 8.7269 8.7851 9.1984 9.5204 10.9316 11.0827 11.4253 11.4643 k =-0.1104 0.2764 0.2979 ( 3730 PWs) bands (ev): -16.4493 -16.4488 -13.7654 -13.7644 -12.2429 -12.2343 -11.2304 -11.2283 -10.3796 -10.3719 -4.1456 -4.1436 -3.3529 -3.3500 -1.2981 -1.2960 -0.0587 -0.0565 0.0948 0.1130 1.2644 1.4660 1.8176 1.8612 2.3023 2.3332 3.5791 3.6281 3.9982 4.0060 4.1419 4.2005 4.3825 4.4054 4.9791 5.0293 5.0717 5.0726 5.4954 5.5913 5.6263 5.6856 7.2825 7.2849 8.7723 8.8410 9.2297 9.5410 10.9164 11.0499 11.4547 11.4922 k =-0.1166 0.2917 0.3144 ( 3742 PWs) bands (ev): -16.4235 -16.4229 -13.8188 -13.8177 -12.2128 -12.2038 -11.2194 -11.2172 -10.4070 -10.3989 -4.1144 -4.1127 -3.3313 -3.3277 -1.3158 -1.3155 -0.0265 -0.0237 0.0724 0.0892 1.2870 1.4945 1.8404 1.8884 2.2805 2.3132 3.5521 3.5957 3.9359 3.9420 4.0954 4.1580 4.3449 4.3669 5.0045 5.0553 5.0783 5.0813 5.5102 5.5978 5.6386 5.6973 7.1774 7.1812 8.8108 8.8911 9.2647 9.5600 10.9078 11.0211 11.4615 11.4961 k =-0.1227 0.3071 0.3310 ( 3734 PWs) bands (ev): -16.3965 -16.3959 -13.8730 -13.8719 -12.1813 -12.1720 -11.2087 -11.2064 -10.4358 -10.4272 -4.0844 -4.0831 -3.3073 -3.3030 -1.3368 -1.3352 0.0051 0.0100 0.0521 0.0657 1.3112 1.5233 1.8633 1.9161 2.2647 2.2980 3.5254 3.5624 3.8724 3.8777 4.0506 4.1178 4.3057 4.3271 5.0234 5.0659 5.0889 5.1029 5.5238 5.6011 5.6493 5.7058 7.0741 7.0793 8.8415 8.9340 9.3035 9.5787 10.9054 10.9970 11.4465 11.4749 k =-0.1288 0.3225 0.3475 ( 3740 PWs) bands (ev): -16.3685 -16.3679 -13.9279 -13.9268 -12.1485 -12.1389 -11.1984 -11.1959 -10.4659 -10.4569 -4.0558 -4.0549 -3.2813 -3.2762 -1.3599 -1.3562 0.0171 0.0349 0.0522 0.0528 1.3370 1.5524 1.8859 1.9439 2.2555 2.2880 3.4986 3.5274 3.8088 3.8141 4.0079 4.0806 4.2649 4.2861 5.0363 5.0712 5.1018 5.1261 5.5364 5.6022 5.6568 5.7102 6.9741 6.9803 8.8641 8.9678 9.3456 9.5988 10.9082 10.9779 11.4195 11.4375 k =-0.1350 0.3378 0.3641 ( 3744 PWs) bands (ev): -16.3396 -16.3389 -13.9832 -13.9820 -12.1144 -12.1045 -11.1884 -11.1858 -10.4974 -10.4879 -4.0284 -4.0280 -3.2537 -3.2477 -1.3845 -1.3787 -0.0008 0.0154 0.0843 0.0847 1.3645 1.5817 1.9081 1.9716 2.2530 2.2837 3.4707 3.4898 3.7462 3.7522 3.9676 4.0471 4.2228 4.2444 5.0452 5.0760 5.1140 5.1448 5.5483 5.6017 5.6606 5.7097 6.8787 6.8858 8.8789 8.9915 9.3901 9.6217 10.9147 10.9641 11.3881 11.3939 k =-0.1411 0.3532 0.3806 ( 3732 PWs) bands (ev): -16.3097 -16.3091 -14.0386 -14.0375 -12.0791 -12.0689 -11.1789 -11.1762 -10.5300 -10.5201 -4.0023 -4.0022 -3.2249 -3.2180 -1.4102 -1.4023 -0.0223 -0.0082 0.1212 0.1214 1.3936 1.6111 1.9298 1.9989 2.2575 2.2852 3.4406 3.4488 3.6860 3.6931 3.9303 4.0177 4.1794 4.2019 5.0517 5.0810 5.1229 5.1568 5.5598 5.6001 5.6600 5.7036 6.7896 6.7973 8.8869 9.0046 9.4357 9.6486 10.9227 10.9556 11.3508 11.3563 k =-0.1472 0.3685 0.3972 ( 3738 PWs) bands (ev): -16.2791 -16.2785 -14.0941 -14.0930 -12.0426 -12.0321 -11.1699 -11.1671 -10.5638 -10.5534 -3.9777 -3.9770 -3.1955 -3.1877 -1.4368 -1.4269 -0.0441 -0.0320 0.1592 0.1595 1.4242 1.6406 1.9511 2.0256 2.2686 2.2925 3.4041 3.4074 3.6293 3.6373 3.8962 3.9928 4.1349 4.1592 5.0562 5.0863 5.1269 5.1604 5.5709 5.5981 5.6550 5.6913 6.7083 6.7160 8.8890 9.0076 9.4809 9.6793 10.9296 10.9525 11.3128 11.3258 k =-0.1534 0.3839 0.4137 ( 3738 PWs) bands (ev): -16.2478 -16.2472 -14.1494 -14.1483 -12.0049 -11.9942 -11.1616 -11.1587 -10.5986 -10.5878 -3.9539 -3.9527 -3.1663 -3.1576 -1.4638 -1.4520 -0.0659 -0.0558 0.1980 0.1984 1.4565 1.6701 1.9721 2.0517 2.2858 2.3054 3.3559 3.3703 3.5771 3.5853 3.8659 3.9724 4.0897 4.1164 5.0580 5.0917 5.1259 5.1541 5.5817 5.5960 5.6460 5.6730 6.6360 6.6432 8.8863 9.0017 9.5245 9.7133 10.9325 10.9546 11.2835 11.2975 k =-0.1595 0.3992 0.4302 ( 3740 PWs) bands (ev): -16.2160 -16.2153 -14.2042 -14.2031 -11.9662 -11.9552 -11.1541 -11.1510 -10.6342 -10.6230 -3.9307 -3.9291 -3.1379 -3.1283 -1.4907 -1.4771 -0.0877 -0.0795 0.2373 0.2377 1.4902 1.6999 1.9929 2.0771 2.3085 2.3237 3.3050 3.3293 3.5297 3.5367 3.8392 3.9565 4.0440 4.0741 5.0546 5.0967 5.1211 5.1369 5.5917 5.5940 5.6338 5.6498 6.5733 6.5794 8.8800 8.9888 9.5654 9.7492 10.9291 10.9617 11.2653 11.2720 k =-0.1656 0.4146 0.4468 ( 3744 PWs) bands (ev): -16.1838 -16.1831 -14.2583 -14.2572 -11.9264 -11.9153 -11.1474 -11.1441 -10.6706 -10.6590 -3.9080 -3.9059 -3.1110 -3.1006 -1.5170 -1.5019 -0.1093 -0.1030 0.2769 0.2773 1.5254 1.7300 2.0136 2.1020 2.3359 2.3464 3.2528 3.2856 3.4864 3.4913 3.8161 3.9439 3.9987 4.0331 5.0414 5.0966 5.1127 5.1163 5.5904 5.5974 5.6214 5.6261 6.5203 6.5249 8.8710 8.9706 9.6027 9.7858 10.9187 10.9733 11.2496 11.2586 k =-0.1718 0.4299 0.4633 ( 3742 PWs) bands (ev): -16.1514 -16.1507 -14.3114 -14.3104 -11.8858 -11.8745 -11.1417 -11.1384 -10.7075 -10.6954 -3.8855 -3.8829 -3.0862 -3.0751 -1.5422 -1.5260 -0.1308 -0.1263 0.3165 0.3168 1.5619 1.7606 2.0339 2.1266 2.3671 2.3729 3.2007 3.2410 3.4463 3.4485 3.7957 3.9289 3.9598 3.9944 5.0147 5.0619 5.1111 5.1148 5.5805 5.5813 5.6142 5.6212 6.4763 6.4792 8.8602 8.9489 9.6359 9.8217 10.9027 10.9887 11.2310 11.2618 k =-0.1779 0.4453 0.4799 ( 3738 PWs) bands (ev): -16.1190 -16.1183 -14.3633 -14.3622 -11.8442 -11.8328 -11.1374 -11.1340 -10.7445 -10.7322 -3.8630 -3.8601 -3.0644 -3.0527 -1.5657 -1.5487 -0.1519 -0.1492 0.3557 0.3560 1.5996 1.7918 2.0536 2.1509 2.4014 2.4020 3.1505 3.1975 3.4081 3.4084 3.7762 3.8931 3.9454 3.9598 4.9750 5.0097 5.1157 5.1162 5.5513 5.5632 5.6141 5.6287 6.4403 6.4413 8.8484 8.9252 9.6648 9.8557 10.8839 11.0064 11.2167 11.2718 k =-0.1840 0.4606 0.4964 ( 3744 PWs) bands (ev): -16.0868 -16.0862 -14.4135 -14.4125 -11.8018 -11.7904 -11.1347 -11.1312 -10.7814 -10.7687 -3.8406 -3.8374 -3.0459 -3.0339 -1.5872 -1.5698 -0.1727 -0.1717 0.3943 0.3945 1.6383 1.8236 2.0720 2.1748 2.4329 2.4379 3.1034 3.1570 3.3699 3.3719 3.7555 3.8473 3.9316 3.9446 4.9243 4.9479 5.1192 5.1206 5.5200 5.5421 5.6175 5.6372 6.4100 6.4106 8.8364 8.9007 9.6893 9.8869 10.8647 11.0245 11.2082 11.2857 k =-0.1902 0.4760 0.5130 ( 3742 PWs) bands (ev): -16.0552 -16.0546 -14.4619 -14.4609 -11.7587 -11.7473 -11.1340 -11.1305 -10.8174 -10.8046 -3.8181 -3.8146 -3.0314 -3.0191 -1.6063 -1.5888 -0.1935 -0.1930 0.4319 0.4319 1.6776 1.8560 2.0885 2.1980 2.4646 2.4760 3.0610 3.1214 3.3341 3.3367 3.7308 3.7997 3.9125 3.9492 4.8652 4.8790 5.1229 5.1252 5.4896 5.5192 5.6222 5.6451 6.3839 6.3860 8.8247 8.8764 9.7096 9.9147 10.8472 11.0398 11.2076 11.3012 k =-0.1963 0.4914 0.5295 ( 3740 PWs) bands (ev): -16.0244 -16.0238 -14.5079 -14.5070 -11.7151 -11.7036 -11.1359 -11.1327 -10.8519 -10.8392 -3.7956 -3.7917 -3.0210 -3.0088 -1.6226 -1.6056 -0.2146 -0.2127 0.4679 0.4679 1.7172 1.8890 2.1024 2.2201 2.4960 2.5147 3.0244 3.0921 3.3009 3.3026 3.7009 3.7518 3.9036 3.9577 4.8003 4.8055 5.1268 5.1293 5.4607 5.4955 5.6273 5.6520 6.3618 6.3650 8.8140 8.8532 9.7261 9.9385 10.8325 11.0496 11.2168 11.3167 k =-0.2025 0.5067 0.5461 ( 3746 PWs) bands (ev): -15.9949 -15.9943 -14.5511 -14.5502 -11.6709 -11.6595 -11.1414 -11.1386 -10.8839 -10.8714 -3.7730 -3.7690 -3.0150 -3.0031 -1.6362 -1.6200 -0.2346 -0.2315 0.5019 0.5020 1.7567 1.9224 2.1132 2.2406 2.5264 2.5533 2.9944 3.0702 3.2701 3.2710 3.6662 3.7039 3.9047 3.9699 4.7297 4.7321 5.1304 5.1330 5.4331 5.4711 5.6321 5.6576 6.3427 6.3466 8.8047 8.8318 9.7391 9.9583 10.8214 11.0526 11.2359 11.3311 k =-0.2086 0.5221 0.5626 ( 3742 PWs) bands (ev): -15.9671 -15.9665 -14.5910 -14.5903 -11.6263 -11.6150 -11.1512 -11.1492 -10.9120 -10.9003 -3.7505 -3.7463 -3.0133 -3.0019 -1.6468 -1.6320 -0.2536 -0.2493 0.5335 0.5336 1.7954 1.9558 2.1206 2.2592 2.5551 2.5905 2.9711 3.0565 3.2396 3.2453 3.6282 3.6565 3.9144 3.9858 4.6535 4.6630 5.1337 5.1360 5.4068 5.4465 5.6365 5.6617 6.3255 6.3299 8.7974 8.8125 9.7490 9.9741 10.8141 11.0501 11.2627 11.3434 k =-0.2147 0.5374 0.5792 ( 3742 PWs) bands (ev): -15.9415 -15.9410 -14.6272 -14.6265 -11.5815 -11.5705 -11.1664 -11.1657 -10.9353 -10.9248 -3.7283 -3.7241 -3.0157 -3.0050 -1.6548 -1.6417 -0.2712 -0.2659 0.5620 0.5622 1.8329 1.9888 2.1247 2.2756 2.5817 2.6251 2.9536 3.0512 3.2120 3.2251 3.5883 3.6098 3.9314 4.0054 4.5789 4.5953 5.1365 5.1383 5.3816 5.4217 5.6399 5.6643 6.3096 6.3143 8.7923 8.7958 9.7564 9.9861 10.8104 11.0442 11.2942 11.3533 k =-0.2209 0.5528 0.5957 ( 3742 PWs) bands (ev): -15.9186 -15.9181 -14.6589 -14.6583 -11.5367 -11.5261 -11.1881 -11.1874 -10.9531 -10.9443 -3.7067 -3.7025 -3.0217 -3.0120 -1.6604 -1.6493 -0.2873 -0.2811 0.5868 0.5871 1.8683 2.0206 2.1263 2.2901 2.6061 2.6556 2.9398 3.0543 3.1881 3.2120 3.5476 3.5640 3.9552 4.0292 4.5075 4.5308 5.1387 5.1398 5.3571 5.3969 5.6424 5.6652 6.2946 6.2994 8.7821 8.7899 9.7616 9.9947 10.8100 11.0365 11.3280 11.3603 k =-0.2270 0.5681 0.6123 ( 3746 PWs) bands (ev): -15.8990 -15.8986 -14.6857 -14.6852 -11.4924 -11.4825 -11.2157 -11.2136 -10.9657 -10.9587 -3.6860 -3.6820 -3.0307 -3.0222 -1.6640 -1.6552 -0.3018 -0.2948 0.6076 0.6079 1.9013 2.0501 2.1269 2.3030 2.6288 2.6803 2.9267 3.0651 3.1691 3.2078 3.5070 3.5194 3.9854 4.0573 4.4407 4.4710 5.1402 5.1405 5.3334 5.3723 5.6438 5.6644 6.2800 6.2849 8.7714 8.7904 9.7648 10.0004 10.8124 11.0278 11.3623 11.3641 k =-0.2331 0.5835 0.6288 ( 3754 PWs) bands (ev): -15.8832 -15.8830 -14.7069 -14.7065 -11.4494 -11.4406 -11.2465 -11.2436 -10.9741 -10.9689 -3.6669 -3.6632 -3.0418 -3.0347 -1.6660 -1.6597 -0.3145 -0.3067 0.6236 0.6239 1.9312 2.0743 2.1299 2.3151 2.6504 2.6977 2.9117 3.0822 3.1566 3.2135 3.4673 3.4763 4.0218 4.0902 4.3797 4.4175 5.1403 5.1411 5.3103 5.3481 5.6441 5.6619 6.2656 6.2706 8.7639 8.7938 9.7665 10.0038 10.8172 11.0189 11.3646 11.3960 k =-0.2393 0.5988 0.6454 ( 3754 PWs) bands (ev): -15.8719 -15.8717 -14.7220 -14.7217 -11.4103 -11.4040 -11.2760 -11.2737 -10.9792 -10.9756 -3.6499 -3.6467 -3.0541 -3.0486 -1.6668 -1.6631 -0.3254 -0.3169 0.6344 0.6347 1.9579 2.0883 2.1407 2.3268 2.6715 2.7069 2.8929 3.1026 3.1527 3.2288 3.4293 3.4353 4.0644 4.1282 4.3255 4.3711 5.1392 5.1411 5.2879 5.3245 5.6433 5.6578 6.2514 6.2565 8.7596 8.8005 9.7667 10.0055 10.8238 11.0100 11.3616 11.4281 k =-0.2454 0.6142 0.6619 ( 3758 PWs) bands (ev): -15.8654 -15.8653 -14.7305 -14.7304 -11.3857 -11.3853 -11.2930 -11.2903 -10.9819 -10.9798 -3.6359 -3.6333 -3.0663 -3.0626 -1.6668 -1.6659 -0.3344 -0.3252 0.6397 0.6399 1.9814 2.0920 2.1596 2.3381 2.6927 2.7079 2.8700 3.1198 3.1625 3.2524 3.3940 3.3967 4.1127 4.1708 4.2791 4.3332 5.1371 5.1404 5.2662 5.3017 5.6415 5.6522 6.2373 6.2425 8.7585 8.8105 9.7656 10.0058 10.8316 11.0012 11.3551 11.4581 k =-0.2515 0.6295 0.6785 ( 3754 PWs) bands (ev): -15.8639 -15.8639 -14.7323 -14.7323 -11.4021 -11.3951 -11.2802 -11.2727 -10.9826 -10.9819 -3.6257 -3.6239 -3.0773 -3.0756 -1.6682 -1.6663 -0.3415 -0.3316 0.6392 0.6394 2.0019 2.0913 2.1809 2.3488 2.7016 2.7148 2.8436 3.1292 3.1874 3.2823 3.3611 3.3633 4.1645 4.2150 4.2431 4.3071 5.1339 5.1390 5.2453 5.2800 5.6389 5.6453 6.2235 6.2290 8.7604 8.8237 9.7634 10.0052 10.8402 10.9929 11.3452 11.4856 k =-0.2577 0.6449 0.6950 ( 3750 PWs) bands (ev): -15.8676 -15.8675 -14.7274 -14.7273 -11.4375 -11.4285 -11.2464 -11.2386 -10.9824 -10.9815 -3.6203 -3.6195 -3.0864 -3.0860 -1.6702 -1.6657 -0.3470 -0.3363 0.6331 0.6332 2.0197 2.0893 2.2011 2.3583 2.6897 2.7383 2.8146 3.1354 3.2177 3.3139 3.3323 3.3408 4.1915 4.2420 4.2451 4.3114 5.1296 5.1367 5.2253 5.2595 5.6355 5.6372 6.2101 6.2160 8.7652 8.8401 9.7599 10.0040 10.8492 10.9850 11.3317 11.5104 k =-0.2638 0.6603 0.7116 ( 3750 PWs) bands (ev): -15.8763 -15.8761 -14.7158 -14.7155 -11.4788 -11.4690 -11.2079 -11.2015 -10.9809 -10.9782 -3.6209 -3.6205 -3.0940 -3.0913 -1.6721 -1.6650 -0.3508 -0.3392 0.6213 0.6213 2.0351 2.0869 2.2191 2.3657 2.6740 2.7628 2.7844 3.1402 3.2425 3.2985 3.3347 3.3582 4.1744 4.2371 4.3039 4.3597 5.1243 5.1336 5.2063 5.2406 5.6284 5.6317 6.1973 6.2038 8.7726 8.8595 9.7553 10.0025 10.8582 10.9776 11.3150 11.5322 k =-0.2699 0.6756 0.7281 ( 3742 PWs) bands (ev): -15.8896 -15.8893 -14.6978 -14.6974 -11.5224 -11.5121 -11.1700 -11.1657 -10.9771 -10.9720 -3.6284 -3.6269 -3.0975 -3.0927 -1.6738 -1.6642 -0.3532 -0.3407 0.6042 0.6042 2.0482 2.0839 2.2342 2.3706 2.6561 2.7504 2.7922 3.1429 3.2527 3.2757 3.3541 3.3992 4.1576 4.2272 4.3735 4.4239 5.1179 5.1299 5.1885 5.2233 5.6192 5.6277 6.1856 6.1926 8.7822 8.8817 9.7496 10.0009 10.8668 10.9707 11.2951 11.5513 k =-0.2699 0.6756 0.7281 ( 3742 PWs) bands (ev): -15.8896 -15.8893 -14.6978 -14.6974 -11.5224 -11.5121 -11.1700 -11.1657 -10.9771 -10.9720 -3.6284 -3.6269 -3.0975 -3.0927 -1.6738 -1.6642 -0.3532 -0.3407 0.6042 0.6042 2.0482 2.0839 2.2342 2.3706 2.6561 2.7504 2.7922 3.1429 3.2527 3.2757 3.3541 3.3992 4.1576 4.2272 4.3735 4.4239 5.1179 5.1299 5.1885 5.2233 5.6192 5.6277 6.1856 6.1926 8.7822 8.8817 9.7496 10.0009 10.8668 10.9707 11.2951 11.5513 k =-0.2639 0.6605 0.7444 ( 3744 PWs) bands (ev): -15.8896 -15.8892 -14.6978 -14.6973 -11.5219 -11.5116 -11.1698 -11.1654 -10.9770 -10.9719 -3.6284 -3.6269 -3.0978 -3.0930 -1.6775 -1.6669 -0.3531 -0.3406 0.6032 0.6035 2.0396 2.0915 2.2235 2.3725 2.6532 2.7521 2.7941 3.1415 3.2511 3.2834 3.3561 3.4028 4.1582 4.2281 4.3738 4.4243 5.1025 5.1331 5.1912 5.2327 5.6190 5.6275 6.1840 6.1917 8.7836 8.8833 9.7498 10.0010 10.8665 10.9710 11.2973 11.5532 k =-0.2578 0.6453 0.7607 ( 3748 PWs) bands (ev): -15.8894 -15.8891 -14.6976 -14.6971 -11.5204 -11.5101 -11.1690 -11.1646 -10.9767 -10.9716 -3.6285 -3.6269 -3.0988 -3.0940 -1.6884 -1.6752 -0.3529 -0.3403 0.6006 0.6012 2.0228 2.1053 2.1952 2.3749 2.6473 2.7561 2.7988 3.1368 3.2530 3.2990 3.3632 3.4141 4.1598 4.2310 4.3746 4.4256 5.0788 5.1223 5.2058 5.2521 5.6184 5.6269 6.1794 6.1886 8.7878 8.8880 9.7503 10.0014 10.8655 10.9721 11.3038 11.5589 k =-0.2518 0.6302 0.7770 ( 3748 PWs) bands (ev): -15.8892 -15.8889 -14.6973 -14.6967 -11.5180 -11.5077 -11.1677 -11.1633 -10.9763 -10.9710 -3.6286 -3.6270 -3.1004 -3.0956 -1.7059 -1.6893 -0.3524 -0.3398 0.5964 0.5972 2.0036 2.1185 2.1561 2.3721 2.6425 2.7611 2.8033 3.1277 3.2621 3.3150 3.3779 3.4343 4.1624 4.2357 4.3759 4.4277 5.0538 5.1027 5.2275 5.2741 5.6175 5.6259 6.1720 6.1833 8.7948 8.8959 9.7513 10.0018 10.8642 10.9741 11.3145 11.5680 k =-0.2457 0.6150 0.7933 ( 3746 PWs) bands (ev): -15.8889 -15.8886 -14.6968 -14.6962 -11.5146 -11.5042 -11.1659 -11.1615 -10.9757 -10.9702 -3.6288 -3.6271 -3.1027 -3.0978 -1.7295 -1.7092 -0.3516 -0.3390 0.5905 0.5916 1.9835 2.1051 2.1346 2.3620 2.6409 2.7673 2.8050 3.1146 3.2765 3.3286 3.4034 3.4639 4.1656 4.2422 4.3772 4.4305 5.0287 5.0808 5.2512 5.2968 5.6161 5.6245 6.1621 6.1757 8.8043 8.9068 9.7527 10.0023 10.8629 10.9769 11.3292 11.5802 k =-0.2397 0.5999 0.8096 ( 3739 PWs) bands (ev): -15.8885 -15.8882 -14.6962 -14.6956 -11.5102 -11.4998 -11.1636 -11.1592 -10.9749 -10.9692 -3.6291 -3.6274 -3.1056 -3.1006 -1.7589 -1.7347 -0.3506 -0.3380 0.5830 0.5844 1.9624 2.0549 2.1432 2.3455 2.6419 2.7727 2.8045 3.0988 3.2934 3.3401 3.4404 3.5019 4.1693 4.2505 4.3784 4.4339 5.0040 5.0585 5.2751 5.3192 5.6144 5.6227 6.1499 6.1659 8.8163 8.9207 9.7545 10.0027 10.8619 10.9809 11.3476 11.5950 k =-0.2336 0.5847 0.8259 ( 3745 PWs) bands (ev): -15.8880 -15.8877 -14.6955 -14.6948 -11.5048 -11.4944 -11.1609 -11.1564 -10.9739 -10.9680 -3.6296 -3.6278 -3.1091 -3.1041 -1.7935 -1.7654 -0.3493 -0.3367 0.5738 0.5754 1.9401 2.0013 2.1502 2.3249 2.6431 2.7705 2.8082 3.0818 3.3112 3.3516 3.4878 3.5460 4.1734 4.2605 4.3791 4.4377 4.9802 5.0370 5.2987 5.3410 5.6124 5.6206 6.1357 6.1539 8.8304 8.9376 9.7567 10.0028 10.8618 10.9861 11.3694 11.6118 k =-0.2276 0.5696 0.8422 ( 3749 PWs) bands (ev): -15.8875 -15.8871 -14.6947 -14.6939 -11.4986 -11.4881 -11.1577 -11.1532 -10.9728 -10.9666 -3.6303 -3.6284 -3.1133 -3.1082 -1.8329 -1.8009 -0.3477 -0.3351 0.5629 0.5648 1.9147 1.9481 2.1541 2.3032 2.6418 2.7575 2.8189 3.0651 3.3306 3.3648 3.5431 3.5941 4.1776 4.2720 4.3788 4.4417 4.9578 5.0167 5.3214 5.3620 5.6101 5.6181 6.1197 6.1399 8.8464 8.9573 9.7594 10.0023 10.8630 10.9928 11.3942 11.6299 k =-0.2215 0.5544 0.8585 ( 3755 PWs) bands (ev): -15.8868 -15.8865 -14.6938 -14.6928 -11.4914 -11.4809 -11.1541 -11.1495 -10.9715 -10.9650 -3.6313 -3.6294 -3.1181 -3.1130 -1.8765 -1.8407 -0.3457 -0.3332 0.5504 0.5526 1.8776 1.9051 2.1547 2.2825 2.6355 2.7379 2.8325 3.0501 3.3523 3.3811 3.6036 3.6446 4.1819 4.2851 4.3771 4.4457 4.9372 4.9983 5.3432 5.3819 5.6075 5.6152 6.1020 6.1241 8.8641 8.9797 9.7627 10.0013 10.8659 11.0011 11.4217 11.6487 k =-0.2155 0.5393 0.8748 ( 3763 PWs) bands (ev): -15.8861 -15.8858 -14.6927 -14.6917 -11.4833 -11.4729 -11.1501 -11.1454 -10.9700 -10.9631 -3.6327 -3.6307 -3.1236 -3.1184 -1.9238 -1.8843 -0.3433 -0.3310 0.5363 0.5387 1.8263 1.8754 2.1518 2.2647 2.6220 2.7144 2.8457 3.0379 3.3772 3.4018 3.6661 3.6965 4.1863 4.2994 4.3740 4.4497 4.9189 4.9821 5.3636 5.4006 5.6048 5.6121 6.0830 6.1069 8.8831 9.0046 9.7664 9.9994 10.8707 11.0112 11.4516 11.6678 k =-0.2094 0.5241 0.8911 ( 3755 PWs) bands (ev): -15.8853 -15.8850 -14.6915 -14.6905 -11.4744 -11.4639 -11.1457 -11.1409 -10.9684 -10.9611 -3.6346 -3.6325 -3.1295 -3.1243 -1.9741 -1.9311 -0.3406 -0.3284 0.5208 0.5234 1.7726 1.8477 2.1457 2.2506 2.6004 2.6880 2.8572 3.0288 3.4053 3.4280 3.7260 3.7509 4.1909 4.3147 4.3695 4.4537 4.9034 4.9685 5.3824 5.4181 5.6022 5.6089 6.0628 6.0885 8.9031 9.0318 9.7707 9.9966 10.8778 11.0233 11.4834 11.6868 k =-0.2034 0.5090 0.9074 ( 3753 PWs) bands (ev): -15.8845 -15.8842 -14.6902 -14.6891 -11.4647 -11.4542 -11.1410 -11.1361 -10.9666 -10.9589 -3.6371 -3.6349 -3.1361 -3.1308 -2.0269 -1.9806 -0.3375 -0.3254 0.5037 0.5066 1.7198 1.8197 2.1371 2.2401 2.5716 2.6588 2.8662 3.0225 3.4368 3.4603 3.7783 3.8093 4.1959 4.3298 4.3643 4.4584 4.8912 4.9578 5.3995 5.4342 5.5996 5.6055 6.0417 6.0691 8.9238 9.0610 9.7754 9.9928 10.8873 11.0374 11.5167 11.7057 k =-0.1973 0.4938 0.9237 ( 3748 PWs) bands (ev): -15.8836 -15.8832 -14.6888 -14.6876 -11.4542 -11.4437 -11.1360 -11.1310 -10.9646 -10.9565 -3.6403 -3.6380 -3.1432 -3.1378 -2.0816 -2.0323 -0.3340 -0.3222 0.4854 0.4886 1.6690 1.7909 2.1270 2.2323 2.5370 2.6267 2.8724 3.0179 3.4717 3.4986 3.8232 3.8675 4.2019 4.3426 4.3600 4.4657 4.8826 4.9500 5.4145 5.4488 5.5973 5.6023 6.0199 6.0490 8.9450 9.0919 9.7806 9.9880 10.8992 11.0538 11.5512 11.7246 k =-0.1912 0.4787 0.9400 ( 3748 PWs) bands (ev): -15.8826 -15.8823 -14.6874 -14.6861 -11.4429 -11.4325 -11.1307 -11.1257 -10.9625 -10.9540 -3.6443 -3.6420 -3.1508 -3.1454 -2.1375 -2.0855 -0.3301 -0.3185 0.4659 0.4693 1.6205 1.7619 2.1162 2.2264 2.4981 2.5919 2.8759 3.0140 3.5099 3.5420 3.8622 3.9196 4.2096 4.3497 4.3594 4.4785 4.8778 4.9452 5.4273 5.4619 5.5953 5.5993 5.9975 6.0287 8.9664 9.1243 9.7862 9.9822 10.9135 11.0724 11.5864 11.7440 k =-0.1852 0.4635 0.9563 ( 3749 PWs) bands (ev): -15.8816 -15.8813 -14.6858 -14.6845 -11.4310 -11.4206 -11.1253 -11.1201 -10.9602 -10.9513 -3.6493 -3.6470 -3.1588 -3.1535 -2.1941 -2.1397 -0.3260 -0.3146 0.4454 0.4490 1.5748 1.7330 2.1050 2.2214 2.4563 2.5551 2.8769 3.0099 3.5504 3.5896 3.8958 3.9602 4.2191 4.3532 4.3620 4.4992 4.8768 4.9432 5.4376 5.4734 5.5935 5.5972 5.9747 6.0083 8.9879 9.1577 9.7922 9.9755 10.9300 11.0934 11.6219 11.7641 k =-0.1791 0.4484 0.9726 ( 3753 PWs) bands (ev): -15.8805 -15.8802 -14.6842 -14.6829 -11.4184 -11.4081 -11.1196 -11.1143 -10.9578 -10.9485 -3.6555 -3.6532 -3.1673 -3.1619 -2.2508 -2.1944 -0.3215 -0.3104 0.4240 0.4277 1.5321 1.7048 2.0935 2.2168 2.4124 2.5172 2.8758 3.0052 3.5917 3.6406 3.9242 3.9857 4.2293 4.3501 4.3759 4.5283 4.8793 4.9438 5.4454 5.4832 5.5914 5.5965 5.9517 5.9881 9.0091 9.1916 9.7985 9.9680 10.9486 11.1166 11.6572 11.7854 k =-0.1731 0.4332 0.9889 ( 3757 PWs) bands (ev): -15.8794 -15.8791 -14.6825 -14.6811 -11.4052 -11.3950 -11.1139 -11.1084 -10.9552 -10.9455 -3.6629 -3.6607 -3.1760 -3.1708 -2.3071 -2.2491 -0.3168 -0.3060 0.4018 0.4057 1.4926 1.6776 2.0813 2.2123 2.3671 2.4792 2.8730 2.9997 3.6313 3.6942 3.9482 3.9956 4.2377 4.3405 4.4061 4.5641 4.8850 4.9468 5.4508 5.4910 5.5893 5.5971 5.9288 5.9684 9.0300 9.2259 9.8049 9.9598 10.9690 11.1421 11.6921 11.8080 k =-0.1670 0.4181 1.0053 ( 3754 PWs) bands (ev): -15.8783 -15.8780 -14.6808 -14.6794 -11.3914 -11.3813 -11.1080 -11.1025 -10.9525 -10.9424 -3.6717 -3.6697 -3.1851 -3.1800 -2.3624 -2.3031 -0.3118 -0.3013 0.3792 0.3832 1.4564 1.6519 2.0680 2.2075 2.3211 2.4421 2.8687 2.9933 3.6656 3.7497 3.9693 3.9932 4.2432 4.3280 4.4499 4.6048 4.8934 4.9518 5.4543 5.4970 5.5874 5.5987 5.9061 5.9493 9.0504 9.2599 9.8115 9.9513 10.9910 11.1696 11.7263 11.8320 k =-0.1610 0.4029 1.0216 ( 3748 PWs) bands (ev): -15.8771 -15.8768 -14.6790 -14.6776 -11.3772 -11.3672 -11.1022 -11.0965 -10.9497 -10.9392 -3.6820 -3.6802 -3.1943 -3.1895 -2.4162 -2.3562 -0.3067 -0.2965 0.3561 0.3602 1.4237 1.6279 2.0530 2.2023 2.2748 2.4067 2.8633 2.9862 3.6901 3.8062 3.9777 3.9959 4.2468 4.3148 4.5026 4.6490 4.9039 4.9586 5.4560 5.5012 5.5855 5.6010 5.8838 5.9311 9.0703 9.2932 9.8180 9.9425 11.0144 11.1990 11.7596 11.8573 k =-0.1549 0.3877 1.0379 ( 3756 PWs) bands (ev): -15.8760 -15.8757 -14.6772 -14.6757 -11.3625 -11.3527 -11.0963 -11.0905 -10.9468 -10.9359 -3.6941 -3.6924 -3.2039 -3.1993 -2.4682 -2.4078 -0.3014 -0.2914 0.3329 0.3370 1.3946 1.6060 2.0358 2.1960 2.2291 2.3738 2.8571 2.9785 3.7005 3.8615 3.9629 4.0223 4.2496 4.3024 4.5599 4.6953 4.9160 4.9670 5.4566 5.5038 5.5835 5.6034 5.8622 5.9139 9.0895 9.3254 9.8244 9.9338 11.0387 11.2301 11.7920 11.8834 k =-0.1489 0.3726 1.0542 ( 3756 PWs) bands (ev): -15.8748 -15.8745 -14.6754 -14.6739 -11.3474 -11.3378 -11.0905 -11.0846 -10.9437 -10.9326 -3.7080 -3.7061 -3.2135 -3.2093 -2.5178 -2.4575 -0.2960 -0.2863 0.3095 0.3136 1.3691 1.5862 2.0160 2.1774 2.1954 2.3442 2.8503 2.9704 3.6950 3.9027 3.9566 4.0570 4.2522 4.2919 4.6190 4.7429 4.9294 4.9768 5.4564 5.5051 5.5811 5.6055 5.8417 5.8979 9.1081 9.3561 9.8304 9.9255 11.0638 11.2624 11.8235 11.9100 k =-0.1428 0.3574 1.0705 ( 3756 PWs) bands (ev): -15.8736 -15.8733 -14.6735 -14.6720 -11.3320 -11.3227 -11.0848 -11.0788 -10.9407 -10.9292 -3.7237 -3.7215 -3.2234 -3.2195 -2.5646 -2.5049 -0.2905 -0.2810 0.2863 0.2904 1.3471 1.5686 1.9936 2.1343 2.1863 2.3182 2.8431 2.9621 3.6754 3.8934 3.9958 4.0986 4.2549 4.2840 4.6778 4.7907 4.9437 4.9880 5.4557 5.5054 5.5779 5.6068 5.8227 5.8831 9.1260 9.3849 9.8358 9.9180 11.0894 11.2956 11.8544 11.9367 k =-0.1368 0.3423 1.0868 ( 3758 PWs) bands (ev): -15.8724 -15.8722 -14.6717 -14.6702 -11.3165 -11.3074 -11.0793 -11.0732 -10.9375 -10.9258 -3.7413 -3.7385 -3.2334 -3.2299 -2.6085 -2.5497 -0.2850 -0.2757 0.2634 0.2673 1.3286 1.5533 1.9685 2.0899 2.1788 2.2959 2.8357 2.9536 3.6449 3.8631 4.0511 4.1449 4.2577 4.2790 4.7350 4.8382 4.9587 5.0005 5.4551 5.5050 5.5736 5.6067 5.8055 5.8698 9.1432 9.4113 9.8404 9.9119 11.1153 11.3294 11.8846 11.9631 k =-0.1307 0.3271 1.1031 ( 3760 PWs) bands (ev): -15.8713 -15.8710 -14.6698 -14.6684 -11.3007 -11.2919 -11.0739 -11.0677 -10.9344 -10.9225 -3.7606 -3.7570 -3.2437 -3.2405 -2.6490 -2.5916 -0.2796 -0.2704 0.2408 0.2446 1.3136 1.5401 1.9414 2.0463 2.1709 2.2772 2.8280 2.9453 3.6068 3.8262 4.1077 4.1933 4.2612 4.2771 4.7894 4.8845 4.9743 5.0146 5.4545 5.5040 5.5682 5.6048 5.7908 5.8579 9.1597 9.4351 9.8435 9.9078 11.1412 11.3632 11.9143 11.9888 k =-0.1247 0.3120 1.1194 ( 3752 PWs) bands (ev): -15.8701 -15.8698 -14.6680 -14.6666 -11.2849 -11.2764 -11.0688 -11.0626 -10.9312 -10.9192 -3.7814 -3.7769 -3.2542 -3.2513 -2.6860 -2.6305 -0.2742 -0.2650 0.2187 0.2225 1.3019 1.5290 1.9129 2.0041 2.1625 2.2616 2.8203 2.9371 3.5637 3.7852 4.1629 4.2375 4.2679 4.2805 4.8397 4.9288 4.9905 5.0309 5.4542 5.5021 5.5617 5.6008 5.7789 5.8476 9.1756 9.4558 9.8450 9.9061 11.1671 11.3966 11.9434 12.0135 k =-0.1186 0.2968 1.1357 ( 3754 PWs) bands (ev): -15.8690 -15.8687 -14.6662 -14.6648 -11.2690 -11.2609 -11.0639 -11.0576 -10.9280 -10.9160 -3.8036 -3.7980 -3.2650 -3.2624 -2.7193 -2.6661 -0.2689 -0.2596 0.1973 0.2009 1.2934 1.5198 1.8837 1.9636 2.1534 2.2488 2.8126 2.9292 3.5176 3.7411 4.2131 4.2567 4.2808 4.3084 4.8849 4.9698 5.0080 5.0503 5.4540 5.4991 5.5543 5.5950 5.7700 5.8388 9.1908 9.4733 9.8447 9.9071 11.1926 11.4291 11.9718 12.0371 k =-0.1126 0.2817 1.1520 ( 3756 PWs) bands (ev): -15.8678 -15.8676 -14.6645 -14.6631 -11.2533 -11.2454 -11.0593 -11.0530 -10.9250 -10.9129 -3.8267 -3.8201 -3.2761 -3.2737 -2.7491 -2.6983 -0.2637 -0.2543 0.1767 0.1801 1.2878 1.5121 1.8546 1.9249 2.1439 2.2383 2.8047 2.9216 3.4698 3.6949 4.2478 4.2614 4.3036 4.3553 4.9238 5.0032 5.0306 5.0738 5.4538 5.4943 5.5466 5.5878 5.7639 5.8314 9.2055 9.4875 9.8433 9.9102 11.2178 11.4603 11.9993 12.0595 k =-0.1065 0.2665 1.1683 ( 3750 PWs) bands (ev): -15.8668 -15.8665 -14.6628 -14.6614 -11.2377 -11.2302 -11.0550 -11.0488 -10.9220 -10.9100 -3.8505 -3.8430 -3.2875 -3.2851 -2.7751 -2.7272 -0.2588 -0.2489 0.1568 0.1601 1.2849 1.5057 1.8263 1.8884 2.1340 2.2296 2.7968 2.9144 3.4216 3.6473 4.2613 4.2644 4.3453 4.4036 4.9562 5.0246 5.0620 5.1015 5.4531 5.4869 5.5391 5.5805 5.7605 5.8254 9.2196 9.4981 9.8415 9.9149 11.2426 11.4898 12.0259 12.0804 k =-0.1004 0.2514 1.1846 ( 3756 PWs) bands (ev): -15.8657 -15.8655 -14.6611 -14.6599 -11.2223 -11.2152 -11.0510 -11.0449 -10.9192 -10.9073 -3.8747 -3.8663 -3.2992 -3.2968 -2.7977 -2.7528 -0.2540 -0.2437 0.1378 0.1410 1.2845 1.5001 1.7995 1.8542 2.1239 2.2224 2.7889 2.9074 3.3737 3.5991 4.2659 4.2683 4.3928 4.4506 4.9826 5.0401 5.0962 5.1323 5.4513 5.4765 5.5325 5.5742 5.7591 5.8205 9.2332 9.5053 9.8398 9.9204 11.2668 11.5171 12.0511 12.1000 k =-0.0944 0.2362 1.2009 ( 3755 PWs) bands (ev): -15.8648 -15.8645 -14.6595 -14.6583 -11.2073 -11.2006 -11.0473 -11.0413 -10.9165 -10.9049 -3.8988 -3.8898 -3.3110 -3.3086 -2.8168 -2.7752 -0.2494 -0.2384 0.1198 0.1229 1.2863 1.4948 1.7747 1.8226 2.1140 2.2164 2.7808 2.9008 3.3270 3.5508 4.2686 4.2722 4.4399 4.4954 5.0044 5.0536 5.1296 5.1646 5.4476 5.4631 5.5272 5.5698 5.7593 5.8168 9.2462 9.5092 9.8389 9.9263 11.2905 11.5419 12.0750 12.1181 k =-0.0883 0.2211 1.2172 ( 3757 PWs) bands (ev): -15.8638 -15.8636 -14.6581 -14.6569 -11.1927 -11.1864 -11.0440 -11.0381 -10.9141 -10.9028 -3.9225 -3.9129 -3.3228 -3.3205 -2.8329 -2.7946 -0.2449 -0.2332 0.1027 0.1058 1.2898 1.4894 1.7523 1.7937 2.1045 2.2115 2.7727 2.8945 3.2822 3.5032 4.2711 4.2755 4.4851 4.5373 5.0232 5.0661 5.1611 5.1967 5.4409 5.4478 5.5239 5.5676 5.7607 5.8140 9.2587 9.5099 9.8389 9.9322 11.3136 11.5640 12.0972 12.1348 k =-0.0823 0.2059 1.2335 ( 3767 PWs) bands (ev): -15.8630 -15.8628 -14.6567 -14.6556 -11.1786 -11.1727 -11.0410 -11.0354 -10.9119 -10.9011 -3.9454 -3.9356 -3.3346 -3.3323 -2.8461 -2.8113 -0.2406 -0.2280 0.0866 0.0898 1.2946 1.4833 1.7329 1.7678 2.0957 2.2074 2.7646 2.8884 3.2399 3.4568 4.2737 4.2784 4.5276 4.5759 5.0399 5.0780 5.1904 5.2275 5.4282 5.4340 5.5226 5.5672 5.7629 5.8119 9.2708 9.5078 9.8400 9.9379 11.3362 11.5830 12.1176 12.1499 k =-0.0762 0.1908 1.2498 ( 3763 PWs) bands (ev): -15.8622 -15.8620 -14.6554 -14.6544 -11.1651 -11.1596 -11.0384 -11.0330 -10.9099 -10.8996 -3.9672 -3.9572 -3.3460 -3.3439 -2.8566 -2.8253 -0.2363 -0.2228 0.0714 0.0748 1.3005 1.4763 1.7165 1.7449 2.0879 2.2039 2.7568 2.8824 3.2006 3.4122 4.2762 4.2811 4.5670 4.6107 5.0550 5.0894 5.2177 5.2566 5.4104 5.4224 5.5233 5.5679 5.7656 5.8104 9.2823 9.5031 9.8421 9.9430 11.3582 11.5989 12.1361 12.1636 k =-0.0702 0.1756 1.2661 ( 3762 PWs) bands (ev): -15.8614 -15.8612 -14.6541 -14.6533 -11.1523 -11.1472 -11.0362 -11.0311 -10.9083 -10.8986 -3.9876 -3.9777 -3.3570 -3.3551 -2.8649 -2.8371 -0.2321 -0.2175 0.0572 0.0608 1.3068 1.4681 1.7030 1.7252 2.0815 2.2011 2.7495 2.8766 3.1646 3.3698 4.2788 4.2837 4.6028 4.6413 5.0687 5.1004 5.2427 5.2836 5.3919 5.4101 5.5252 5.5691 5.7688 5.8094 9.2933 9.4963 9.8453 9.9475 11.3796 11.6114 12.1526 12.1758 k =-0.0641 0.1605 1.2824 ( 3760 PWs) bands (ev): -15.8608 -15.8606 -14.6531 -14.6523 -11.1403 -11.1355 -11.0344 -11.0295 -10.9069 -10.8980 -4.0062 -3.9966 -3.3674 -3.3657 -2.8712 -2.8469 -0.2278 -0.2121 0.0440 0.0479 1.3133 1.4586 1.6918 1.7090 2.0769 2.1987 2.7431 2.8708 3.1322 3.3301 4.2812 4.2861 4.6349 4.6675 5.0809 5.1107 5.2657 5.3086 5.3738 5.3978 5.5278 5.5705 5.7721 5.8087 9.3038 9.4877 9.8493 9.9513 11.4004 11.6205 12.1671 12.1865 k =-0.0581 0.1453 1.2987 ( 3762 PWs) bands (ev): -15.8602 -15.8600 -14.6521 -14.6514 -11.1291 -11.1248 -11.0330 -11.0284 -10.9058 -10.8977 -4.0228 -4.0137 -3.3771 -3.3756 -2.8757 -2.8548 -0.2233 -0.2066 0.0315 0.0358 1.3195 1.4480 1.6815 1.6971 2.0743 2.1966 2.7382 2.8652 3.1035 3.2935 4.2837 4.2884 4.6628 4.6890 5.0914 5.1202 5.2863 5.3312 5.3575 5.3867 5.5304 5.5717 5.7755 5.8083 9.3138 9.4776 9.8542 9.9543 11.4206 11.6264 12.1795 12.1957 k =-0.0520 0.1302 1.3150 ( 3764 PWs) bands (ev): -15.8597 -15.8595 -14.6512 -14.6506 -11.1190 -11.1150 -11.0320 -11.0277 -10.9051 -10.8979 -4.0373 -4.0287 -3.3859 -3.3847 -2.8786 -2.8612 -0.2186 -0.2009 0.0199 0.0246 1.3253 1.4366 1.6711 1.6900 2.0741 2.1947 2.7353 2.8598 3.0785 3.2604 4.2860 4.2905 4.6866 4.7057 5.0995 5.1285 5.3038 5.3382 5.3565 5.3787 5.5327 5.5723 5.7790 5.8080 9.3231 9.4662 9.8597 9.9566 11.4401 11.6289 12.1897 12.2034 k =-0.0460 0.1150 1.3313 ( 3766 PWs) bands (ev): -15.8593 -15.8591 -14.6505 -14.6500 -11.1099 -11.1063 -11.0314 -11.0274 -10.9046 -10.8984 -4.0493 -4.0414 -3.3936 -3.3928 -2.8802 -2.8662 -0.2136 -0.1948 0.0091 0.0142 1.3304 1.4245 1.6609 1.6864 2.0763 2.1930 2.7349 2.8549 3.0570 3.2310 4.2883 4.2925 4.7058 4.7176 5.1048 5.1351 5.3155 5.3267 5.3718 5.3807 5.5342 5.5722 5.7823 5.8077 9.3318 9.4541 9.8658 9.9581 11.4589 11.6282 12.1980 12.2096 k =-0.0399 0.0999 1.3476 ( 3768 PWs) bands (ev): -15.8589 -15.8588 -14.6499 -14.6495 -11.1020 -11.0987 -11.0313 -11.0276 -10.9044 -10.8992 -4.0589 -4.0517 -3.4002 -3.3997 -2.8806 -2.8699 -0.2081 -0.1884 -0.0011 0.0044 1.3350 1.4120 1.6516 1.6850 2.0812 2.1915 2.7375 2.8508 3.0391 3.2055 4.2905 4.2944 4.7202 4.7252 5.1067 5.1396 5.3141 5.3213 5.3809 5.3987 5.5348 5.5711 5.7854 5.8073 9.3398 9.4413 9.8722 9.9589 11.4768 11.6246 12.2041 12.2143 k =-0.0399 0.0999 1.3476 ( 3768 PWs) bands (ev): -15.8589 -15.8588 -14.6499 -14.6495 -11.1020 -11.0987 -11.0313 -11.0276 -10.9044 -10.8992 -4.0589 -4.0517 -3.4002 -3.3997 -2.8806 -2.8699 -0.2081 -0.1884 -0.0011 0.0044 1.3350 1.4120 1.6516 1.6850 2.0812 2.1915 2.7375 2.8508 3.0391 3.2055 4.2905 4.2944 4.7202 4.7252 5.1067 5.1396 5.3141 5.3213 5.3809 5.3987 5.5348 5.5711 5.7854 5.8073 9.3398 9.4413 9.8722 9.9589 11.4768 11.6246 12.2041 12.2143 k =-0.0319 0.0799 1.3476 ( 3776 PWs) bands (ev): -15.8499 -15.8498 -14.6616 -14.6613 -11.0895 -11.0870 -11.0348 -11.0316 -10.9038 -10.8996 -4.0687 -4.0628 -3.4069 -3.4065 -2.8714 -2.8628 -0.1861 -0.1677 -0.0156 -0.0090 1.3322 1.3941 1.6432 1.6708 2.0961 2.1894 2.7673 2.8756 3.0073 3.1595 4.2705 4.2736 4.7279 4.7323 5.1304 5.1608 5.3144 5.3226 5.3714 5.3920 5.5319 5.5595 5.7901 5.8073 9.3448 9.4250 9.8803 9.9510 11.4955 11.6161 12.2130 12.2217 k =-0.0239 0.0599 1.3476 ( 3780 PWs) bands (ev): -15.8428 -15.8427 -14.6709 -14.6707 -11.0788 -11.0769 -11.0386 -11.0360 -10.9031 -10.8998 -4.0765 -4.0719 -3.4120 -3.4116 -2.8639 -2.8574 -0.1642 -0.1474 -0.0316 -0.0237 1.3312 1.3777 1.6381 1.6592 2.1115 2.1846 2.7978 2.9021 2.9769 3.1151 4.2543 4.2566 4.7335 4.7370 5.1535 5.1801 5.3129 5.3214 5.3630 5.3838 5.5316 5.5511 5.7943 5.8071 9.3503 9.4099 9.8890 9.9429 11.5138 11.6056 12.2203 12.2273 k =-0.0160 0.0400 1.3476 ( 3780 PWs) bands (ev): -15.8376 -15.8376 -14.6776 -14.6774 -11.0696 -11.0684 -11.0427 -11.0408 -10.9022 -10.9000 -4.0819 -4.0788 -3.4155 -3.4152 -2.8581 -2.8538 -0.1428 -0.1281 -0.0481 -0.0394 1.3324 1.3633 1.6358 1.6500 2.1270 2.1773 2.8285 2.9304 2.9477 3.0727 4.2424 4.2440 4.7375 4.7400 5.1745 5.1954 5.3098 5.3170 5.3587 5.3753 5.5328 5.5451 5.7980 5.8064 9.3568 9.3962 9.8982 9.9345 11.5315 11.5933 12.2260 12.2309 k =-0.0080 0.0200 1.3476 ( 3778 PWs) bands (ev): -15.8345 -15.8344 -14.6816 -14.6815 -11.0621 -11.0615 -11.0470 -11.0458 -10.9014 -10.9003 -4.0849 -4.0833 -3.4175 -3.4174 -2.8542 -2.8521 -0.1233 -0.1126 -0.0625 -0.0549 1.3360 1.3515 1.6360 1.6431 2.1418 2.1674 2.8589 2.9179 2.9622 3.0329 4.2353 4.2360 4.7400 4.7413 5.1917 5.2038 5.3068 5.3112 5.3588 5.3678 5.5348 5.5408 5.8010 5.8052 9.3644 9.3840 9.9075 9.9258 11.5485 11.5796 12.2300 12.2325 k = 0.0000 0.0000 1.3476 ( 3776 PWs) bands (ev): -15.8334 -15.8334 -14.6829 -14.6829 -11.0580 -11.0580 -11.0493 -11.0493 -10.9007 -10.9007 -4.0854 -4.0854 -3.4181 -3.4181 -2.8522 -2.8522 -0.1098 -0.1098 -0.0660 -0.0660 1.3424 1.3424 1.6385 1.6385 2.1554 2.1554 2.8887 2.8887 2.9960 2.9960 4.2331 4.2331 4.7413 4.7413 5.2024 5.2024 5.3070 5.3070 5.3621 5.3621 5.5375 5.5375 5.8034 5.8034 9.3734 9.3734 9.9168 9.9168 11.5646 11.5646 12.2322 12.2322 k = 0.0000 0.0000 1.3476 ( 3776 PWs) bands (ev): -15.8334 -15.8334 -14.6829 -14.6829 -11.0580 -11.0580 -11.0493 -11.0493 -10.9007 -10.9007 -4.0854 -4.0854 -3.4181 -3.4181 -2.8522 -2.8522 -0.1098 -0.1098 -0.0660 -0.0660 1.3424 1.3424 1.6385 1.6385 2.1554 2.1554 2.8887 2.8887 2.9960 2.9960 4.2331 4.2331 4.7413 4.7413 5.2024 5.2024 5.3070 5.3070 5.3621 5.3621 5.5375 5.5375 5.8034 5.8034 9.3734 9.3734 9.9168 9.9168 11.5646 11.5646 12.2322 12.2322 k = 0.0208 0.0083 1.3476 ( 3778 PWs) bands (ev): -15.8334 -15.8334 -14.6829 -14.6829 -11.0580 -11.0580 -11.0493 -11.0492 -10.9008 -10.9007 -4.0854 -4.0854 -3.4182 -3.4182 -2.8522 -2.8522 -0.1096 -0.1095 -0.0665 -0.0656 1.3402 1.3455 1.6337 1.6427 2.1464 2.1586 2.8735 2.9052 2.9899 3.0100 4.2329 4.2332 4.7301 4.7427 5.2011 5.2031 5.3077 5.3078 5.3604 5.3667 5.5370 5.5379 5.8042 5.8053 9.3569 9.3893 9.8891 9.9448 11.5547 11.5739 12.2277 12.2379 k = 0.0417 0.0166 1.3476 ( 3778 PWs) bands (ev): -15.8334 -15.8334 -14.6829 -14.6829 -11.0580 -11.0580 -11.0494 -11.0492 -10.9008 -10.9006 -4.0853 -4.0853 -3.4183 -3.4182 -2.8522 -2.8522 -0.1092 -0.1089 -0.0669 -0.0653 1.3389 1.3495 1.6286 1.6466 2.1318 2.1557 2.8621 2.9188 2.9954 3.0296 4.2326 4.2330 4.7101 4.7345 5.1990 5.2031 5.3078 5.3098 5.3619 5.3754 5.5365 5.5382 5.8076 5.8097 9.3400 9.4041 9.8624 9.9727 11.5447 11.5827 12.2244 12.2447 k = 0.0625 0.0250 1.3476 ( 3774 PWs) bands (ev): -15.8334 -15.8334 -14.6829 -14.6829 -11.0580 -11.0580 -11.0494 -11.0491 -10.9009 -10.9006 -4.0853 -4.0853 -3.4184 -3.4183 -2.8522 -2.8522 -0.1084 -0.1080 -0.0673 -0.0649 1.3384 1.3543 1.6231 1.6504 2.1127 2.1472 2.8551 2.9265 3.0141 3.0531 4.2321 4.2328 4.6830 4.7179 5.1962 5.2024 5.3053 5.3104 5.3688 5.3892 5.5360 5.5384 5.8133 5.8163 9.3232 9.4176 9.8373 9.9999 11.5346 11.5908 12.2222 12.2525 k = 0.0833 0.0333 1.3476 ( 3776 PWs) bands (ev): -15.8334 -15.8334 -14.6829 -14.6829 -11.0580 -11.0580 -11.0495 -11.0491 -10.9009 -10.9005 -4.0852 -4.0852 -3.4185 -3.4185 -2.8522 -2.8522 -0.1073 -0.1069 -0.0678 -0.0646 1.3386 1.3597 1.6178 1.6543 2.0901 2.1341 2.8525 2.9308 3.0420 3.0794 4.2314 4.2324 4.6510 4.6950 5.1925 5.2008 5.3002 5.3079 5.3815 5.4071 5.5356 5.5386 5.8205 5.8244 9.3068 9.4295 9.8141 10.0259 11.5246 11.5981 12.2211 12.2610 k = 0.1042 0.0416 1.3476 ( 3766 PWs) bands (ev): -15.8334 -15.8334 -14.6829 -14.6829 -11.0580 -11.0580 -11.0495 -11.0490 -10.9010 -10.9005 -4.0851 -4.0851 -3.4187 -3.4186 -2.8522 -2.8522 -0.1060 -0.1055 -0.0681 -0.0643 1.3391 1.3654 1.6128 1.6587 2.0650 2.1174 2.8534 2.9346 3.0743 3.1071 4.2308 4.2320 4.6163 4.6680 5.1880 5.1984 5.2933 5.3032 5.3984 5.4272 5.5353 5.5388 5.8286 5.8334 9.2913 9.4394 9.7933 10.0501 11.5151 11.6045 12.2208 12.2700 k = 0.1250 0.0499 1.3476 ( 3762 PWs) bands (ev): -15.8334 -15.8334 -14.6829 -14.6829 -11.0580 -11.0580 -11.0496 -11.0490 -10.9010 -10.9004 -4.0850 -4.0850 -3.4188 -3.4188 -2.8522 -2.8522 -0.1047 -0.1041 -0.0685 -0.0640 1.3398 1.3710 1.6086 1.6640 2.0388 2.0987 2.8570 2.9388 3.1078 3.1351 4.2300 4.2314 4.5809 4.6393 5.1828 5.1952 5.2861 5.2975 5.4168 5.4475 5.5352 5.5390 5.8371 5.8425 9.2770 9.4475 9.7754 10.0723 11.5062 11.6100 12.2212 12.2790 k = 0.1458 0.0583 1.3476 ( 3768 PWs) bands (ev): -15.8334 -15.8334 -14.6829 -14.6829 -11.0580 -11.0580 -11.0496 -11.0490 -10.9010 -10.9004 -4.0849 -4.0849 -3.4190 -3.4190 -2.8523 -2.8522 -0.1034 -0.1028 -0.0687 -0.0638 1.3405 1.3762 1.6055 1.6702 2.0125 2.0794 2.8621 2.9436 3.1403 3.1620 4.2292 4.2309 4.5467 4.6109 5.1771 5.1912 5.2793 5.2920 5.4348 5.4666 5.5352 5.5393 5.8452 5.8513 9.2643 9.4536 9.7604 10.0918 11.4982 11.6146 12.2220 12.2877 k = 0.1667 0.0666 1.3476 ( 3774 PWs) bands (ev): -15.8334 -15.8334 -14.6829 -14.6829 -11.0580 -11.0580 -11.0496 -11.0489 -10.9011 -10.9004 -4.0849 -4.0848 -3.4192 -3.4192 -2.8523 -2.8522 -0.1022 -0.1015 -0.0690 -0.0635 1.3411 1.3807 1.6035 1.6772 1.9876 2.0610 2.8678 2.9485 3.1699 3.1864 4.2285 4.2303 4.5155 4.5847 5.1714 5.1869 5.2735 5.2873 5.4511 5.4833 5.5354 5.5397 5.8525 5.8591 9.2534 9.4579 9.7484 10.1083 11.4913 11.6184 12.2231 12.2956 k = 0.1875 0.0749 1.3476 ( 3778 PWs) bands (ev): -15.8334 -15.8334 -14.6829 -14.6829 -11.0580 -11.0580 -11.0497 -11.0489 -10.9011 -10.9003 -4.0848 -4.0848 -3.4194 -3.4194 -2.8523 -2.8522 -0.1011 -0.1004 -0.0691 -0.0633 1.3415 1.3842 1.6026 1.6846 1.9655 2.0449 2.8732 2.9530 3.1951 3.2071 4.2278 4.2298 4.4891 4.5623 5.1662 5.1828 5.2691 5.2836 5.4644 5.4968 5.5359 5.5401 5.8585 5.8656 9.2446 9.4607 9.7394 10.1216 11.4858 11.6213 12.2241 12.3023 k = 0.2083 0.0832 1.3476 ( 3774 PWs) bands (ev): -15.8334 -15.8334 -14.6829 -14.6829 -11.0580 -11.0580 -11.0497 -11.0489 -10.9011 -10.9003 -4.0847 -4.0847 -3.4195 -3.4195 -2.8523 -2.8523 -0.1004 -0.0996 -0.0692 -0.0632 1.3418 1.3868 1.6024 1.6913 1.9477 2.0323 2.8776 2.9566 3.2143 3.2228 4.2274 4.2295 4.4689 4.5451 5.1621 5.1793 5.2661 5.2809 5.4743 5.5064 5.5367 5.5407 5.8631 5.8705 9.2381 9.4624 9.7333 10.1312 11.4816 11.6233 12.2250 12.3074 k = 0.2292 0.0916 1.3476 ( 3772 PWs) bands (ev): -15.8334 -15.8334 -14.6829 -14.6829 -11.0580 -11.0580 -11.0497 -11.0489 -10.9011 -10.9003 -4.0847 -4.0847 -3.4196 -3.4195 -2.8523 -2.8523 -0.0999 -0.0991 -0.0692 -0.0631 1.3420 1.3883 1.6025 1.6961 1.9361 2.0243 2.8805 2.9590 3.2264 3.2327 4.2270 4.2292 4.4563 4.5344 5.1595 5.1770 5.2643 5.2793 5.4803 5.5120 5.5375 5.5411 5.8659 5.8735 9.2342 9.4633 9.7297 10.1371 11.4791 11.6246 12.2256 12.3106 k = 0.2500 0.0999 1.3476 ( 3776 PWs) bands (ev): -15.8334 -15.8334 -14.6829 -14.6829 -11.0580 -11.0580 -11.0497 -11.0489 -10.9011 -10.9003 -4.0847 -4.0847 -3.4196 -3.4196 -2.8523 -2.8523 -0.0997 -0.0990 -0.0692 -0.0630 1.3420 1.3888 1.6025 1.6979 1.9320 2.0216 2.8815 2.9598 3.2305 3.2361 4.2269 4.2292 4.4520 4.5307 5.1585 5.1761 5.2637 5.2788 5.4823 5.5138 5.5378 5.5412 5.8668 5.8745 9.2329 9.4635 9.7285 10.1391 11.4783 11.6250 12.2259 12.3117 k = 0.2500 0.0999 1.3476 ( 3776 PWs) bands (ev): -15.8334 -15.8334 -14.6829 -14.6829 -11.0580 -11.0580 -11.0497 -11.0489 -10.9011 -10.9003 -4.0847 -4.0847 -3.4196 -3.4196 -2.8523 -2.8523 -0.0997 -0.0990 -0.0692 -0.0630 1.3420 1.3888 1.6025 1.6979 1.9320 2.0216 2.8815 2.9598 3.2305 3.2361 4.2269 4.2292 4.4520 4.5307 5.1585 5.1761 5.2637 5.2788 5.4823 5.5138 5.5378 5.5412 5.8668 5.8745 9.2329 9.4635 9.7285 10.1391 11.4783 11.6250 12.2259 12.3117 k = 0.2439 0.1151 1.3312 ( 3776 PWs) bands (ev): -15.8334 -15.8334 -14.6831 -14.6829 -11.0590 -11.0585 -11.0502 -11.0485 -10.9018 -10.9001 -4.0839 -4.0824 -3.4191 -3.4188 -2.8535 -2.8502 -0.1025 -0.1011 -0.0660 -0.0603 1.3405 1.3912 1.6023 1.6980 1.9326 2.0221 2.8823 2.9642 3.2307 3.2370 4.2269 4.2291 4.4505 4.5297 5.1574 5.1766 5.2628 5.2781 5.4778 5.5071 5.5406 5.5466 5.8669 5.8750 9.2322 9.4645 9.7277 10.1391 11.4772 11.6241 12.2248 12.3107 k = 0.2378 0.1304 1.3148 ( 3776 PWs) bands (ev): -15.8336 -15.8336 -14.6833 -14.6831 -11.0616 -11.0602 -11.0512 -11.0481 -10.9031 -10.9001 -4.0801 -4.0770 -3.4174 -3.4167 -2.8539 -2.8473 -0.1088 -0.1063 -0.0583 -0.0534 1.3365 1.3977 1.6017 1.6985 1.9344 2.0235 2.8853 2.9766 3.2314 3.2396 4.2268 4.2290 4.4461 4.5267 5.1544 5.1775 5.2602 5.2761 5.4667 5.4933 5.5476 5.5558 5.8671 5.8764 9.2301 9.4673 9.7254 10.1391 11.4741 11.6214 12.2217 12.3076 k = 0.2317 0.1457 1.2983 ( 3772 PWs) bands (ev): -15.8338 -15.8338 -14.6838 -14.6834 -11.0654 -11.0628 -11.0528 -11.0482 -10.9049 -10.9005 -4.0733 -4.0687 -3.4145 -3.4134 -2.8534 -2.8435 -0.1163 -0.1130 -0.0483 -0.0441 1.3309 1.4074 1.6009 1.6994 1.9374 2.0259 2.8913 2.9954 3.2330 3.2440 4.2267 4.2288 4.4388 4.5216 5.1500 5.1777 5.2560 5.2727 5.4525 5.4773 5.5554 5.5642 5.8677 5.8785 9.2268 9.4719 9.7216 10.1392 11.4690 11.6169 12.2166 12.3026 k = 0.2256 0.1609 1.2819 ( 3772 PWs) bands (ev): -15.8341 -15.8341 -14.6843 -14.6839 -11.0701 -11.0664 -11.0549 -11.0490 -10.9070 -10.9014 -4.0635 -4.0576 -3.4104 -3.4089 -2.8519 -2.8387 -0.1242 -0.1203 -0.0369 -0.0331 1.3246 1.4195 1.6003 1.7009 1.9416 2.0293 2.9008 3.0188 3.2359 3.2504 4.2265 4.2286 4.4288 4.5144 5.1440 5.1759 5.2502 5.2680 5.4373 5.4605 5.5622 5.5709 5.8690 5.8814 9.2223 9.4781 9.7162 10.1393 11.4617 11.6106 12.2094 12.2955 k = 0.2195 0.1762 1.2655 ( 3770 PWs) bands (ev): -15.8345 -15.8345 -14.6850 -14.6845 -11.0758 -11.0709 -11.0578 -11.0505 -10.9095 -10.9027 -4.0508 -4.0438 -3.4051 -3.4033 -2.8494 -2.8328 -0.1323 -0.1277 -0.0244 -0.0209 1.3178 1.4337 1.6000 1.7034 1.9469 2.0337 2.9139 3.0446 3.2407 3.2595 4.2263 4.2283 4.4161 4.5052 5.1363 5.1713 5.2428 5.2617 5.4226 5.4442 5.5672 5.5754 5.8712 5.8851 9.2167 9.4856 9.7093 10.1394 11.4523 11.6025 12.2003 12.2862 k = 0.2134 0.1915 1.2491 ( 3764 PWs) bands (ev): -15.8350 -15.8350 -14.6859 -14.6852 -11.0822 -11.0763 -11.0613 -11.0528 -10.9122 -10.9043 -4.0355 -4.0274 -3.3986 -3.3966 -2.8457 -2.8257 -0.1405 -0.1354 -0.0108 -0.0075 1.3107 1.4497 1.5999 1.7075 1.9533 2.0392 2.9301 3.0708 3.2484 3.2720 4.2260 4.2278 4.4011 4.4939 5.1262 5.1633 5.2335 5.2531 5.4099 5.4296 5.5702 5.5777 5.8743 5.8894 9.2103 9.4941 9.7009 10.1396 11.4409 11.5925 12.1892 12.2749 k = 0.2073 0.2067 1.2327 ( 3758 PWs) bands (ev): -15.8356 -15.8355 -14.6868 -14.6860 -11.0893 -11.0824 -11.0656 -11.0560 -10.9151 -10.9063 -4.0178 -4.0089 -3.3912 -3.3889 -2.8407 -2.8173 -0.1487 -0.1431 0.0039 0.0069 1.3035 1.4675 1.5998 1.7140 1.9605 2.0459 2.9487 3.0949 3.2599 3.2890 4.2257 4.2273 4.3837 4.4807 5.1132 5.1517 5.2218 5.2410 5.4002 5.4180 5.5709 5.5778 5.8786 5.8946 9.2031 9.5036 9.6909 10.1398 11.4273 11.5808 12.1762 12.2614 k = 0.2012 0.2220 1.2162 ( 3760 PWs) bands (ev): -15.8362 -15.8362 -14.6879 -14.6870 -11.0971 -11.0894 -11.0706 -11.0599 -10.9181 -10.9086 -3.9978 -3.9883 -3.3828 -3.3803 -2.8342 -2.8074 -0.1570 -0.1509 0.0196 0.0225 1.2967 1.4870 1.5996 1.7236 1.9687 2.0537 2.9685 3.1146 3.2761 3.3117 4.2252 4.2267 4.3642 4.4655 5.0968 5.1369 5.2071 5.2244 5.3943 5.4107 5.5693 5.5757 5.8839 5.9006 9.1951 9.5137 9.6793 10.1400 11.4117 11.5672 12.1614 12.2458 k = 0.1951 0.2372 1.1998 ( 3756 PWs) bands (ev): -15.8369 -15.8369 -14.6891 -14.6881 -11.1056 -11.0971 -11.0762 -11.0647 -10.9212 -10.9111 -3.9759 -3.9660 -3.3735 -3.3708 -2.8259 -2.7957 -0.1653 -0.1588 0.0364 0.0392 1.2904 1.5079 1.5991 1.7368 1.9775 2.0627 2.9884 3.1291 3.2970 3.3407 4.2246 4.2261 4.3427 4.4484 5.0768 5.1191 5.1892 5.2032 5.3920 5.4085 5.5658 5.5718 5.8903 5.9073 9.1865 9.5241 9.6662 10.1402 11.3940 11.5519 12.1449 12.2280 k = 0.1890 0.2525 1.1834 ( 3760 PWs) bands (ev): -15.8377 -15.8376 -14.6904 -14.6894 -11.1147 -11.1055 -11.0825 -11.0702 -10.9244 -10.9138 -3.9525 -3.9424 -3.3635 -3.3606 -2.8157 -2.7821 -0.1737 -0.1668 0.0542 0.0569 1.2851 1.5301 1.5984 1.7539 1.9870 2.0731 3.0076 3.1387 3.3225 3.3754 4.2237 4.2253 4.3195 4.4296 5.0529 5.0985 5.1681 5.1784 5.3927 5.4109 5.5604 5.5663 5.8975 5.9146 9.1772 9.5348 9.6514 10.1406 11.3742 11.5347 12.1268 12.2082 k = 0.1829 0.2678 1.1670 ( 3762 PWs) bands (ev): -15.8385 -15.8385 -14.6919 -14.6907 -11.1245 -11.1146 -11.0894 -11.0765 -10.9275 -10.9166 -3.9278 -3.9178 -3.3528 -3.3497 -2.8033 -2.7664 -0.1822 -0.1749 0.0730 0.0757 1.2811 1.5531 1.5982 1.7747 1.9971 2.0850 3.0252 3.1445 3.3522 3.4143 4.2221 4.2246 4.2950 4.4092 5.0251 5.0748 5.1435 5.1523 5.3961 5.4170 5.5535 5.5593 5.9056 5.9226 9.1673 9.5455 9.6351 10.1410 11.3525 11.5158 12.1072 12.1864 k = 0.1768 0.2830 1.1505 ( 3762 PWs) bands (ev): -15.8394 -15.8394 -14.6934 -14.6921 -11.1347 -11.1244 -11.0968 -11.0834 -10.9307 -10.9196 -3.9022 -3.8927 -3.3414 -3.3382 -2.7885 -2.7482 -0.1907 -0.1831 0.0929 0.0955 1.2788 1.5760 1.5997 1.7989 2.0078 2.0984 3.0410 3.1477 3.3854 3.4557 4.2191 4.2238 4.2699 4.3875 4.9936 5.0472 5.1161 5.1269 5.4019 5.4254 5.5454 5.5512 5.9144 5.9312 9.1567 9.5558 9.6173 10.1415 11.3287 11.4952 12.0862 12.1629 k = 0.1707 0.2983 1.1341 ( 3762 PWs) bands (ev): -15.8404 -15.8403 -14.6950 -14.6937 -11.1455 -11.1348 -11.1046 -11.0909 -10.9338 -10.9227 -3.8763 -3.8673 -3.3295 -3.3262 -2.7709 -2.7275 -0.1992 -0.1914 0.1137 0.1162 1.2785 1.5924 1.6093 1.8261 2.0190 2.1135 3.0547 3.1490 3.4213 3.4978 4.2120 4.2230 4.2475 4.3645 4.9585 5.0152 5.0883 5.1019 5.4095 5.4352 5.5366 5.5424 5.9236 5.9402 9.1454 9.5649 9.5988 10.1422 11.3032 11.4731 12.0641 12.1378 k = 0.1646 0.3135 1.1177 ( 3756 PWs) bands (ev): -15.8414 -15.8413 -14.6966 -14.6953 -11.1567 -11.1456 -11.1129 -11.0990 -10.9368 -10.9258 -3.8503 -3.8421 -3.3171 -3.3138 -2.7505 -2.7039 -0.2078 -0.1997 0.1354 0.1378 1.2806 1.5979 1.6315 1.8559 2.0310 2.1305 3.0665 3.1491 3.4587 3.5393 4.1946 4.2220 4.2341 4.3407 4.9198 4.9788 5.0619 5.0774 5.4184 5.4457 5.5273 5.5331 5.9334 5.9496 9.1333 9.5658 9.5863 10.1431 11.2759 11.4495 12.0408 12.1114 k = 0.1585 0.3288 1.1013 ( 3752 PWs) bands (ev): -15.8424 -15.8424 -14.6984 -14.6970 -11.1683 -11.1570 -11.1215 -11.1075 -10.9397 -10.9289 -3.8248 -3.8175 -3.3044 -3.3009 -2.7268 -2.6773 -0.2163 -0.2080 0.1579 0.1603 1.2852 1.6027 1.6563 1.8875 2.0438 2.1495 3.0767 3.1482 3.4961 3.5790 4.1685 4.2207 4.2286 4.3163 4.8775 4.9392 5.0370 5.0539 5.4281 5.4562 5.5180 5.5237 5.9435 5.9595 9.1205 9.5474 9.5911 10.1440 11.2470 11.4247 12.0165 12.0843 k = 0.1524 0.3441 1.0849 ( 3748 PWs) bands (ev): -15.8435 -15.8434 -14.7001 -14.6987 -11.1803 -11.1687 -11.1303 -11.1164 -10.9426 -10.9320 -3.8001 -3.7938 -3.2914 -3.2878 -2.6998 -2.6476 -0.2247 -0.2163 0.1812 0.1835 1.2926 1.6091 1.6812 1.9202 2.0580 2.1707 3.0856 3.1466 3.5314 3.6156 4.1396 4.2192 4.2258 4.2918 4.8313 4.8979 5.0130 5.0322 5.4380 5.4654 5.5099 5.5147 5.9538 5.9697 9.1069 9.5229 9.5997 10.1451 11.2168 11.3990 11.9909 12.0568 k = 0.1463 0.3593 1.0684 ( 3750 PWs) bands (ev): -15.8446 -15.8446 -14.7020 -14.7005 -11.1926 -11.1808 -11.1394 -11.1256 -10.9454 -10.9351 -3.7767 -3.7715 -3.2781 -3.2744 -2.6693 -2.6147 -0.2330 -0.2245 0.2052 0.2073 1.3030 1.6175 1.7057 1.9528 2.0743 2.1942 3.0931 3.1445 3.5627 3.6481 4.1108 4.2174 4.2236 4.2677 4.7812 4.8567 4.9898 5.0125 5.4474 5.4713 5.5046 5.5070 5.9645 5.9802 9.0925 9.4959 9.6085 10.1463 11.1853 11.3725 11.9639 12.0297 k = 0.1402 0.3746 1.0520 ( 3750 PWs) bands (ev): -15.8458 -15.8457 -14.7038 -14.7023 -11.2050 -11.1931 -11.1486 -11.1350 -10.9481 -10.9382 -3.7548 -3.7507 -3.2646 -3.2608 -2.6352 -2.5785 -0.2413 -0.2327 0.2297 0.2318 1.3166 1.6282 1.7295 1.9837 2.0941 2.2201 3.0992 3.1419 3.5880 3.6749 4.0840 4.2144 4.2216 4.2448 4.7276 4.8164 4.9676 4.9952 5.4546 5.4714 5.4993 5.5074 5.9754 5.9911 9.0772 9.4669 9.6172 10.1474 11.1530 11.3457 11.9353 12.0036 k = 0.1341 0.3898 1.0356 ( 3748 PWs) bands (ev): -15.8469 -15.8468 -14.7057 -14.7042 -11.2176 -11.2056 -11.1579 -11.1446 -10.9508 -10.9412 -3.7348 -3.7316 -3.2511 -3.2472 -2.5976 -2.5392 -0.2493 -0.2407 0.2547 0.2566 1.3335 1.6414 1.7523 2.0112 2.1187 2.2486 3.1036 3.1393 3.6055 3.6940 4.0615 4.2063 4.2195 4.2272 4.6710 4.7778 4.9472 4.9803 5.4562 5.4684 5.4967 5.5140 5.9866 6.0023 9.0612 9.4361 9.6256 10.1484 11.1201 11.3188 11.9048 11.9790 k = 0.1280 0.4051 1.0192 ( 3748 PWs) bands (ev): -15.8481 -15.8480 -14.7076 -14.7061 -11.2302 -11.2182 -11.1673 -11.1542 -10.9533 -10.9442 -3.7167 -3.7143 -3.2375 -3.2336 -2.5565 -2.4969 -0.2571 -0.2485 0.2800 0.2818 1.3538 1.6571 1.7739 2.0340 2.1489 2.2794 3.1055 3.1375 3.6145 3.7028 4.0453 4.1876 4.2178 4.2197 4.6123 4.7412 4.9292 4.9679 5.4509 5.4648 5.4998 5.5225 5.9980 6.0140 9.0443 9.4037 9.6337 10.1490 11.0871 11.2921 11.8724 11.9561 k = 0.1220 0.4204 1.0028 ( 3744 PWs) bands (ev): -15.8492 -15.8492 -14.7095 -14.7080 -11.2428 -11.2308 -11.1766 -11.1639 -10.9558 -10.9471 -3.7007 -3.6989 -3.2240 -3.2200 -2.5121 -2.4517 -0.2647 -0.2562 0.3054 0.3072 1.3775 1.6751 1.7945 2.0527 2.1840 2.3126 3.1036 3.1371 3.6153 3.6991 4.0361 4.1641 4.2144 4.2177 4.5526 4.7068 4.9143 4.9580 5.4428 5.4595 5.5069 5.5313 6.0098 6.0260 9.0267 9.3699 9.6415 10.1491 11.0544 11.2660 11.8386 11.9349 k = 0.1159 0.4356 0.9863 ( 3742 PWs) bands (ev): -15.8504 -15.8503 -14.7114 -14.7099 -11.2553 -11.2434 -11.1858 -11.1735 -10.9582 -10.9500 -3.6868 -3.6854 -3.2107 -3.2067 -2.4647 -2.4040 -0.2720 -0.2636 0.3310 0.3327 1.4047 1.6954 1.8141 2.0683 2.2224 2.3479 3.0978 3.1384 3.6087 3.6831 4.0314 4.1397 4.2090 4.2178 4.4936 4.6742 4.9032 4.9510 5.4341 5.4533 5.5156 5.5399 6.0219 6.0385 9.0084 9.3348 9.6492 10.1484 11.0225 11.2407 11.8037 11.9151 k = 0.1098 0.4509 0.9699 ( 3748 PWs) bands (ev): -15.8516 -15.8515 -14.7133 -14.7118 -11.2677 -11.2558 -11.1949 -11.1830 -10.9606 -10.9527 -3.6749 -3.6736 -3.1976 -3.1937 -2.4146 -2.3541 -0.2790 -0.2708 0.3565 0.3581 1.4354 1.7177 1.8331 2.0821 2.2624 2.3849 3.0885 3.1404 3.5965 3.6569 4.0244 4.1167 4.2019 4.2185 4.4377 4.6433 4.8964 4.9469 5.4252 5.4470 5.5248 5.5480 6.0344 6.0515 8.9896 9.2986 9.6567 10.1467 10.9919 11.2163 11.7681 11.8961 k = 0.1037 0.4662 0.9535 ( 3746 PWs) bands (ev): -15.8527 -15.8526 -14.7151 -14.7136 -11.2797 -11.2681 -11.2037 -11.1923 -10.9628 -10.9554 -3.6650 -3.6635 -3.1849 -3.1811 -2.3623 -2.3023 -0.2856 -0.2776 0.3817 0.3832 1.4696 1.7413 1.8521 2.0948 2.3028 2.4232 3.0763 3.1421 3.5803 3.6237 4.0070 4.0963 4.1938 4.2196 4.3881 4.6135 4.8942 4.9459 5.4164 5.4407 5.5339 5.5557 6.0474 6.0649 8.9703 9.2617 9.6643 10.1438 10.9633 11.1931 11.7321 11.8774 k = 0.0976 0.4814 0.9371 ( 3744 PWs) bands (ev): -15.8538 -15.8537 -14.7169 -14.7155 -11.2915 -11.2801 -11.2123 -11.2014 -10.9649 -10.9580 -3.6566 -3.6550 -3.1727 -3.1690 -2.3081 -2.2493 -0.2919 -0.2841 0.4066 0.4080 1.5072 1.7656 1.8717 2.1071 2.3423 2.4621 3.0617 3.1431 3.5612 3.5870 3.9763 4.0725 4.1876 4.2209 4.3483 4.5844 4.8963 4.9481 5.4075 5.4344 5.5428 5.5628 6.0608 6.0788 8.9508 9.2243 9.6721 10.1393 10.9370 11.1711 11.6963 11.8579 k = 0.0915 0.4967 0.9206 ( 3742 PWs) bands (ev): -15.8549 -15.8548 -14.7186 -14.7172 -11.3028 -11.2917 -11.2206 -11.2102 -10.9670 -10.9605 -3.6498 -3.6481 -3.1610 -3.1575 -2.2526 -2.1954 -0.2978 -0.2903 0.4309 0.4323 1.5482 1.7896 1.8931 2.1193 2.3797 2.5011 3.0454 3.1427 3.5369 3.5530 3.9358 4.0357 4.1866 4.2223 4.3198 4.5555 4.9025 4.9532 5.3985 5.4280 5.5513 5.5695 6.0747 6.0932 8.9312 9.1867 9.6800 10.1330 10.9136 11.1504 11.6608 11.8363 k = 0.0854 0.5119 0.9042 ( 3744 PWs) bands (ev): -15.8559 -15.8558 -14.7203 -14.7190 -11.3137 -11.3030 -11.2286 -11.2187 -10.9689 -10.9629 -3.6442 -3.6424 -3.1499 -3.1466 -2.1963 -2.1411 -0.3033 -0.2960 0.4546 0.4560 1.5923 1.8121 1.9171 2.1319 2.4137 2.5391 3.0282 3.1407 3.5025 3.5300 3.8887 3.9849 4.1903 4.2236 4.3005 4.5267 4.9120 4.9613 5.3893 5.4214 5.5595 5.5756 6.0890 6.1080 8.9116 9.1492 9.6882 10.1248 10.8935 11.1310 11.6261 11.8109 k = 0.0793 0.5272 0.8878 ( 3740 PWs) bands (ev): -15.8569 -15.8568 -14.7219 -14.7206 -11.3240 -11.3138 -11.2361 -11.2268 -10.9707 -10.9651 -3.6397 -3.6380 -3.1395 -3.1364 -2.1399 -2.0871 -0.3084 -0.3014 0.4774 0.4788 1.6394 1.8324 1.9443 2.1452 2.4430 2.5750 3.0115 3.1368 3.4664 3.5119 3.8371 3.9243 4.1961 4.2249 4.2871 4.4980 4.9242 4.9721 5.3797 5.4145 5.5674 5.5814 6.1037 6.1230 8.8925 9.1120 9.6969 10.1146 10.8769 11.1129 11.5925 11.7813 k = 0.0732 0.5425 0.8714 ( 3740 PWs) bands (ev): -15.8578 -15.8578 -14.7234 -14.7222 -11.3338 -11.3241 -11.2433 -11.2346 -10.9724 -10.9673 -3.6362 -3.6345 -3.1298 -3.1269 -2.0839 -2.0340 -0.3130 -0.3064 0.4992 0.5006 1.6893 1.8504 1.9744 2.1599 2.4657 2.6073 2.9971 3.1314 3.4334 3.4958 3.7823 3.8583 4.2020 4.2261 4.2769 4.4693 4.9384 4.9852 5.3696 5.4069 5.5748 5.5868 6.1187 6.1383 8.8739 9.0756 9.7061 10.1024 10.8639 11.0960 11.5602 11.7477 k = 0.0671 0.5577 0.8550 ( 3746 PWs) bands (ev): -15.8587 -15.8587 -14.7248 -14.7237 -11.3429 -11.3338 -11.2500 -11.2419 -10.9740 -10.9693 -3.6335 -3.6319 -3.1209 -3.1182 -2.0291 -1.9822 -0.3172 -0.3109 0.5199 0.5213 1.7416 1.8667 2.0061 2.1764 2.4806 2.6343 2.9871 3.1250 3.4050 3.4811 3.7252 3.7897 4.2073 4.2272 4.2683 4.4408 4.9541 5.0001 5.3589 5.3986 5.5819 5.5918 6.1339 6.1535 8.8561 9.0401 9.7158 10.0883 10.8546 11.0801 11.5297 11.7117 k = 0.0610 0.5730 0.8385 ( 3746 PWs) bands (ev): -15.8596 -15.8595 -14.7262 -14.7251 -11.3514 -11.3429 -11.2561 -11.2487 -10.9754 -10.9712 -3.6315 -3.6300 -3.1127 -3.1103 -1.9759 -1.9324 -0.3210 -0.3150 0.5393 0.5407 1.7959 1.8819 2.0378 2.1958 2.4868 2.6538 2.9832 3.1191 3.3816 3.4671 3.6670 3.7208 4.2117 4.2282 4.2604 4.4127 4.9708 5.0166 5.3475 5.3895 5.5884 5.5965 6.1491 6.1684 8.8395 9.0060 9.7263 10.0724 10.8489 11.0653 11.5012 11.6746 k = 0.0549 0.5882 0.8221 ( 3748 PWs) bands (ev): -15.8603 -15.8603 -14.7274 -14.7264 -11.3591 -11.3513 -11.2618 -11.2550 -10.9767 -10.9729 -3.6300 -3.6286 -3.1053 -3.1032 -1.9251 -1.8853 -0.3242 -0.3187 0.5574 0.5588 1.8510 1.8974 2.0675 2.2189 2.4845 2.6640 2.9862 3.1152 3.3633 3.4529 3.6084 3.6537 4.2150 4.2291 4.2529 4.3854 4.9882 5.0342 5.3353 5.3794 5.5945 5.6009 6.1642 6.1829 8.8243 8.9734 9.7375 10.0549 10.8467 11.0511 11.4751 11.6377 k = 0.0488 0.6035 0.8057 ( 3752 PWs) bands (ev): -15.8610 -15.8610 -14.7285 -14.7276 -11.3661 -11.3590 -11.2668 -11.2607 -10.9779 -10.9745 -3.6289 -3.6277 -3.0987 -3.0968 -1.8772 -1.8414 -0.3271 -0.3219 0.5739 0.5753 1.9000 1.9198 2.0937 2.2460 2.4752 2.6638 2.9957 3.1144 3.3496 3.4365 3.5509 3.5909 4.2170 4.2299 4.2460 4.3589 5.0059 5.0524 5.3226 5.3683 5.6001 5.6050 6.1788 6.1967 8.8107 8.9426 9.7494 10.0363 10.8475 11.0376 11.4518 11.6017 k = 0.0427 0.6188 0.7893 ( 3754 PWs) bands (ev): -15.8617 -15.8616 -14.7294 -14.7287 -11.3722 -11.3660 -11.2713 -11.2659 -10.9789 -10.9759 -3.6282 -3.6271 -3.0929 -3.0912 -1.8330 -1.8012 -0.3294 -0.3248 0.5888 0.5901 1.9222 1.9691 2.1157 2.2768 2.4613 2.6537 3.0098 3.1165 3.3399 3.4148 3.4959 3.5363 4.2174 4.2306 4.2403 4.3337 5.0238 5.0708 5.3093 5.3563 5.6050 5.6088 6.1927 6.2094 8.7989 8.9140 9.7622 10.0167 10.8512 11.0243 11.4317 11.5672 k = 0.0366 0.6340 0.7729 ( 3752 PWs) bands (ev): -15.8622 -15.8622 -14.7303 -14.7296 -11.3776 -11.3721 -11.2752 -11.2706 -10.9797 -10.9772 -3.6277 -3.6268 -3.0879 -3.0864 -1.7929 -1.7654 -0.3314 -0.3272 0.6019 0.6032 1.9388 2.0217 2.1348 2.3094 2.4461 2.6357 3.0257 3.1203 3.3343 3.3839 3.4449 3.4949 4.2160 4.2313 4.2365 4.3102 5.0418 5.0889 5.2958 5.3434 5.6094 5.6121 6.2058 6.2209 8.7893 8.8876 9.7758 9.9965 10.8574 11.0112 11.4151 11.5348 k = 0.0305 0.6493 0.7564 ( 3750 PWs) bands (ev): -15.8627 -15.8627 -14.7310 -14.7304 -11.3821 -11.3774 -11.2785 -11.2746 -10.9804 -10.9784 -3.6274 -3.6267 -3.0836 -3.0824 -1.7576 -1.7345 -0.3329 -0.3293 0.6132 0.6144 1.9558 2.0656 2.1560 2.3412 2.4328 2.6122 3.0398 3.1245 3.3329 3.3445 3.3998 3.4669 4.2130 4.2320 4.2345 4.2886 5.0597 5.1062 5.2826 5.3297 5.6132 5.6151 6.2176 6.2308 8.7820 8.8637 9.7903 9.9759 10.8658 10.9980 11.4023 11.5049 k = 0.0244 0.6645 0.7400 ( 3752 PWs) bands (ev): -15.8631 -15.8631 -14.7316 -14.7311 -11.3857 -11.3819 -11.2811 -11.2779 -10.9810 -10.9793 -3.6272 -3.6266 -3.0801 -3.0791 -1.7275 -1.7089 -0.3340 -0.3311 0.6226 0.6237 1.9738 2.0900 2.1884 2.3679 2.4252 2.5856 3.0493 3.1277 3.3041 3.3362 3.3618 3.4471 4.2099 4.2324 4.2337 4.2694 5.0773 5.1217 5.2704 5.3154 5.6162 5.6175 6.2280 6.2390 8.7772 8.8424 9.8057 9.9553 10.8759 10.9845 11.3937 11.4778 k = 0.0183 0.6798 0.7236 ( 3744 PWs) bands (ev): -15.8634 -15.8634 -14.7320 -14.7317 -11.3884 -11.3856 -11.2830 -11.2807 -10.9814 -10.9801 -3.6271 -3.6267 -3.0773 -3.0766 -1.7031 -1.6891 -0.3347 -0.3325 0.6301 0.6309 1.9928 2.0941 2.2314 2.3824 2.4286 2.5580 3.0539 3.1268 3.2718 3.3307 3.3444 3.4307 4.2079 4.2316 4.2340 4.2534 5.0943 5.1341 5.2606 5.3009 5.6187 5.6195 6.2367 6.2452 8.7752 8.8239 9.8219 9.9347 10.8875 10.9707 11.3895 11.4538 k = 0.0122 0.6951 0.7072 ( 3744 PWs) bands (ev): -15.8636 -15.8636 -14.7323 -14.7321 -11.3902 -11.3883 -11.2843 -11.2827 -10.9816 -10.9808 -3.6270 -3.6268 -3.0753 -3.0748 -1.6847 -1.6754 -0.3351 -0.3336 0.6355 0.6360 2.0127 2.0860 2.2758 2.3816 2.4433 2.5310 3.0575 3.1170 3.2557 3.3056 3.3558 3.4153 4.2077 4.2284 4.2345 4.2422 5.1103 5.1415 5.2551 5.2866 5.6204 5.6209 6.2435 6.2493 8.7759 8.8084 9.8390 9.9145 10.9003 10.9566 11.3897 11.4331 k = 0.0061 0.7103 0.6907 ( 3736 PWs) bands (ev): -15.8637 -15.8637 -14.7325 -14.7324 -11.3911 -11.3901 -11.2849 -11.2841 -10.9816 -10.9812 -3.6270 -3.6268 -3.0741 -3.0738 -1.6727 -1.6680 -0.3352 -0.3344 0.6388 0.6391 2.0330 2.0713 2.3157 2.3698 2.4621 2.5059 3.0651 3.0986 3.2565 3.2847 3.3696 3.4000 4.2100 4.2217 4.2352 4.2376 5.1246 5.1420 5.2558 5.2734 5.6215 5.6217 6.2483 6.2512 8.7795 8.7958 9.8568 9.8947 10.9139 10.9423 11.3943 11.4162 k = 0.0000 0.7256 0.6743 ( 3736 PWs) bands (ev): -15.8638 -15.8638 -14.7325 -14.7325 -11.3911 -11.3911 -11.2849 -11.2849 -10.9815 -10.9815 -3.6269 -3.6269 -3.0736 -3.0736 -1.6670 -1.6670 -0.3349 -0.3349 0.6400 0.6400 2.0530 2.0530 2.3477 2.3477 2.4829 2.4829 3.0793 3.0793 3.2678 3.2678 3.3847 3.3847 4.2147 4.2147 4.2360 4.2360 5.1358 5.1358 5.2625 5.2625 5.6219 5.6219 6.2509 6.2509 8.7861 8.7861 9.8754 9.8754 10.9280 10.9280 11.4032 11.4032 k = 0.0000 0.7256 0.6743 ( 3736 PWs) bands (ev): -15.8638 -15.8638 -14.7325 -14.7325 -11.3911 -11.3911 -11.2849 -11.2849 -10.9815 -10.9815 -3.6269 -3.6269 -3.0736 -3.0736 -1.6670 -1.6670 -0.3349 -0.3349 0.6400 0.6400 2.0530 2.0530 2.3477 2.3477 2.4829 2.4829 3.0793 3.0793 3.2678 3.2678 3.3847 3.3847 4.2147 4.2147 4.2360 4.2360 5.1358 5.1358 5.2625 5.2625 5.6219 5.6219 6.2509 6.2509 8.7861 8.7861 9.8754 9.8754 10.9280 10.9280 11.4032 11.4032 k = 0.0225 0.7298 0.6698 ( 3736 PWs) bands (ev): -15.8640 -15.8639 -14.7323 -14.7322 -11.3946 -11.3918 -11.2840 -11.2815 -10.9816 -10.9813 -3.6268 -3.6268 -3.0740 -3.0738 -1.6675 -1.6666 -0.3358 -0.3344 0.6397 0.6397 2.0498 2.0564 2.3275 2.3678 2.4712 2.4986 3.0662 3.0909 3.2667 3.2686 3.3824 3.3858 4.2058 4.2217 4.2382 4.2384 5.1352 5.1362 5.2599 5.2638 5.6221 5.6221 6.2497 6.2504 8.7813 8.7919 9.8598 9.8911 10.9201 10.9355 11.3902 11.4167 k = 0.0450 0.7339 0.6654 ( 3736 PWs) bands (ev): -15.8645 -15.8645 -14.7316 -14.7315 -11.4017 -11.3966 -11.2791 -11.2747 -10.9817 -10.9811 -3.6264 -3.6264 -3.0751 -3.0746 -1.6680 -1.6662 -0.3371 -0.3341 0.6389 0.6389 2.0469 2.0600 2.3083 2.3845 2.4667 2.5168 3.0513 3.1012 3.2650 3.2694 3.3789 3.3857 4.1975 4.2240 4.2430 4.2476 5.1344 5.1363 5.2562 5.2640 5.6225 5.6226 6.2469 6.2483 8.7775 8.7986 9.8446 9.9067 10.9121 10.9426 11.3779 11.4308 k = 0.0675 0.7381 0.6609 ( 3744 PWs) bands (ev): -15.8655 -15.8654 -14.7303 -14.7302 -11.4112 -11.4045 -11.2712 -11.2656 -10.9817 -10.9809 -3.6259 -3.6259 -3.0768 -3.0760 -1.6686 -1.6659 -0.3386 -0.3342 0.6375 0.6375 2.0444 2.0637 2.2910 2.3930 2.4742 2.5366 3.0342 3.1105 3.2627 3.2706 3.3744 3.3847 4.1904 4.2244 4.2492 4.2611 5.1334 5.1363 5.2515 5.2630 5.6231 5.6234 6.2425 6.2447 8.7746 8.8061 9.8299 9.9220 10.9040 10.9490 11.3664 11.4452 k = 0.0900 0.7423 0.6564 ( 3746 PWs) bands (ev): -15.8667 -15.8666 -14.7286 -14.7285 -11.4223 -11.4145 -11.2613 -11.2549 -10.9817 -10.9805 -3.6252 -3.6251 -3.0790 -3.0778 -1.6692 -1.6656 -0.3403 -0.3345 0.6356 0.6356 2.0423 2.0674 2.2757 2.3929 2.4940 2.5572 3.0146 3.1189 3.2597 3.2722 3.3692 3.3829 4.1845 4.2247 4.2571 4.2767 5.1322 5.1361 5.2457 5.2610 5.6238 5.6243 6.2369 6.2399 8.7727 8.8142 9.8159 9.9366 10.8962 10.9548 11.3557 11.4598 k = 0.1125 0.7464 0.6519 ( 3751 PWs) bands (ev): -15.8684 -15.8682 -14.7264 -14.7263 -11.4343 -11.4258 -11.2501 -11.2435 -10.9816 -10.9801 -3.6245 -3.6244 -3.0816 -3.0801 -1.6698 -1.6654 -0.3422 -0.3351 0.6331 0.6332 2.0408 2.0709 2.2625 2.3886 2.5216 2.5779 2.9924 3.1263 3.2564 3.2745 3.3635 3.3806 4.1796 4.2254 4.2665 4.2935 5.1308 5.1357 5.2391 5.2579 5.6244 5.6254 6.2303 6.2340 8.7717 8.8229 9.8029 9.9504 10.8887 10.9598 11.3458 11.4743 k = 0.1350 0.7506 0.6474 ( 3753 PWs) bands (ev): -15.8704 -15.8702 -14.7238 -14.7236 -11.4469 -11.4378 -11.2384 -11.2317 -10.9814 -10.9795 -3.6238 -3.6236 -3.0845 -3.0826 -1.6704 -1.6652 -0.3442 -0.3359 0.6302 0.6303 2.0399 2.0743 2.2516 2.3834 2.5533 2.5981 2.9676 3.1325 3.2532 3.2773 3.3577 3.3783 4.1757 4.2263 4.2776 4.3112 5.1292 5.1352 5.2319 5.2540 5.6250 5.6266 6.2230 6.2273 8.7715 8.8319 9.7909 9.9631 10.8819 10.9641 11.3367 11.4886 k = 0.1575 0.7548 0.6430 ( 3751 PWs) bands (ev): -15.8727 -15.8725 -14.7206 -14.7204 -11.4596 -11.4502 -11.2264 -11.2198 -10.9811 -10.9789 -3.6234 -3.6230 -3.0874 -3.0851 -1.6710 -1.6650 -0.3462 -0.3369 0.6268 0.6269 2.0397 2.0774 2.2430 2.3786 2.5875 2.6169 2.9401 3.1372 3.2506 3.2802 3.3523 3.3765 4.1724 4.2274 4.2901 4.3296 5.1275 5.1345 5.2241 5.2494 5.6252 5.6276 6.2154 6.2203 8.7720 8.8410 9.7801 9.9743 10.8760 10.9675 11.3284 11.5023 k = 0.1800 0.7589 0.6385 ( 3742 PWs) bands (ev): -15.8754 -15.8752 -14.7170 -14.7167 -11.4725 -11.4628 -11.2144 -11.2080 -10.9807 -10.9780 -3.6232 -3.6226 -3.0903 -3.0875 -1.6716 -1.6648 -0.3481 -0.3379 0.6230 0.6230 2.0401 2.0801 2.2367 2.3748 2.6233 2.6332 2.9102 3.1403 3.2492 3.2826 3.3479 3.3759 4.1696 4.2284 4.3042 4.3484 5.1257 5.1338 5.2161 5.2443 5.6251 5.6284 6.2079 6.2134 8.7731 8.8501 9.7708 9.9839 10.8713 10.9700 11.3207 11.5152 k = 0.2025 0.7631 0.6340 ( 3748 PWs) bands (ev): -15.8785 -15.8782 -14.7129 -14.7126 -11.4853 -11.4754 -11.2026 -11.1966 -10.9801 -10.9769 -3.6235 -3.6227 -3.0929 -3.0897 -1.6722 -1.6647 -0.3498 -0.3388 0.6188 0.6188 2.0411 2.0823 2.2327 2.3721 2.6462 2.6600 2.8781 3.1418 3.2491 3.2838 3.3451 3.3774 4.1669 4.2292 4.3197 4.3674 5.1237 5.1329 5.2082 5.2388 5.6244 5.6289 6.2008 6.2068 8.7748 8.8589 9.7629 9.9915 10.8678 10.9716 11.3137 11.5269 k = 0.2249 0.7672 0.6295 ( 3744 PWs) bands (ev): -15.8819 -15.8816 -14.7083 -14.7080 -11.4979 -11.4878 -11.1912 -11.1857 -10.9794 -10.9756 -3.6243 -3.6234 -3.0951 -3.0914 -1.6728 -1.6645 -0.3514 -0.3397 0.6142 0.6143 2.0429 2.0837 2.2310 2.3705 2.6548 2.6969 2.8444 3.1424 3.2501 3.2832 3.3448 3.3817 4.1642 4.2295 4.3365 4.3864 5.1218 5.1320 5.2007 5.2334 5.6232 5.6289 6.1945 6.2010 8.7769 8.8672 9.7567 9.9970 10.8658 10.9723 11.3071 11.5371 k = 0.2474 0.7714 0.6250 ( 3744 PWs) bands (ev): -15.8856 -15.8853 -14.7033 -14.7029 -11.5103 -11.5001 -11.1803 -11.1753 -10.9784 -10.9740 -3.6259 -3.6247 -3.0967 -3.0925 -1.6734 -1.6644 -0.3525 -0.3403 0.6093 0.6094 2.0452 2.0843 2.2315 2.3701 2.6583 2.7321 2.8107 3.1426 3.2514 3.2804 3.3476 3.3890 4.1612 4.2289 4.3545 4.4053 5.1198 5.1309 5.1940 5.2281 5.6215 5.6286 6.1894 6.1962 8.7794 8.8749 9.7522 10.0002 10.8654 10.9720 11.3010 11.5453 k = 0.2699 0.7756 0.6205 ( 3742 PWs) bands (ev): -15.8896 -15.8893 -14.6978 -14.6974 -11.5224 -11.5121 -11.1700 -11.1657 -10.9771 -10.9720 -3.6284 -3.6269 -3.0975 -3.0927 -1.6738 -1.6642 -0.3532 -0.3407 0.6042 0.6042 2.0482 2.0839 2.2342 2.3706 2.6561 2.7504 2.7922 3.1429 3.2527 3.2757 3.3541 3.3992 4.1576 4.2272 4.3735 4.4239 5.1179 5.1299 5.1885 5.2233 5.6192 5.6277 6.1856 6.1926 8.7822 8.8817 9.7496 10.0009 10.8668 10.9707 11.2951 11.5513 k = 0.2699 0.7756 0.6205 ( 3742 PWs) bands (ev): -15.8896 -15.8893 -14.6978 -14.6974 -11.5224 -11.5121 -11.1700 -11.1657 -10.9771 -10.9720 -3.6284 -3.6269 -3.0975 -3.0927 -1.6738 -1.6642 -0.3532 -0.3407 0.6042 0.6042 2.0482 2.0839 2.2342 2.3706 2.6561 2.7504 2.7922 3.1429 3.2527 3.2757 3.3541 3.3992 4.1576 4.2272 4.3735 4.4239 5.1179 5.1299 5.1885 5.2233 5.6192 5.6277 6.1856 6.1926 8.7822 8.8817 9.7496 10.0009 10.8668 10.9707 11.2951 11.5513 k = 0.2760 0.7604 0.6042 ( 3736 PWs) bands (ev): -15.9068 -15.9064 -14.6743 -14.6738 -11.5665 -11.5559 -11.1358 -11.1341 -10.9696 -10.9618 -3.6419 -3.6394 -3.0969 -3.0902 -1.6752 -1.6634 -0.3545 -0.3408 0.5824 0.5826 2.0586 2.0801 2.2462 2.3727 2.6371 2.7187 2.8208 3.1430 3.2562 3.2586 3.3910 3.4421 4.1462 4.2200 4.4461 4.4933 5.1108 5.1255 5.1723 5.2082 5.6102 5.6240 6.1755 6.1831 8.7935 8.9062 9.7428 9.9993 10.8747 10.9644 11.2729 11.5675 k = 0.2820 0.7453 0.5879 ( 3740 PWs) bands (ev): -15.9276 -15.9271 -14.6456 -14.6451 -11.6110 -11.6002 -11.1084 -11.1071 -10.9567 -10.9459 -3.6613 -3.6579 -3.0925 -3.0840 -1.6762 -1.6624 -0.3547 -0.3398 0.5565 0.5567 2.0663 2.0747 2.2552 2.3722 2.6175 2.6870 2.8512 3.1419 3.2479 3.2625 3.4353 3.4867 4.1398 4.2164 4.5202 4.5658 5.1033 5.1206 5.1577 5.1951 5.6018 5.6209 6.1674 6.1756 8.8061 8.9327 9.7350 9.9977 10.8815 10.9586 11.2487 11.5812 k = 0.2881 0.7301 0.5716 ( 3736 PWs) bands (ev): -15.9513 -15.9507 -14.6124 -14.6117 -11.6557 -11.6447 -11.0898 -11.0859 -10.9368 -10.9235 -3.6858 -3.6817 -3.0849 -3.0750 -1.6763 -1.6609 -0.3543 -0.3378 0.5269 0.5272 2.0676 2.0710 2.2616 2.3692 2.5975 2.6560 2.8828 3.1418 3.2446 3.2737 3.4831 3.5325 4.1379 4.2160 4.5934 4.6387 5.0961 5.1154 5.1451 5.1842 5.5947 5.6189 6.1620 6.1707 8.8195 8.9607 9.7262 9.9961 10.8869 10.9532 11.2231 11.5926 k = 0.2942 0.7150 0.5552 ( 3732 PWs) bands (ev): -15.9774 -15.9768 -14.5751 -14.5743 -11.7003 -11.6892 -11.0780 -11.0725 -10.9098 -10.8950 -3.7148 -3.7102 -3.0749 -3.0638 -1.6755 -1.6586 -0.3533 -0.3352 0.4942 0.4946 2.0585 2.0726 2.2654 2.3639 2.5769 2.6258 2.9150 3.1453 3.2492 3.2895 3.5327 3.5793 4.1401 4.2186 4.6624 4.7090 5.0899 5.1101 5.1354 5.1762 5.5894 5.6185 6.1602 6.1693 8.8331 8.9897 9.7167 9.9945 10.8901 10.9482 11.1972 11.6018 k = 0.3002 0.6998 0.5389 ( 3736 PWs) bands (ev): -16.0055 -16.0049 -14.5343 -14.5335 -11.7446 -11.7335 -11.0715 -11.0653 -10.8774 -10.8622 -3.7475 -3.7426 -3.0635 -3.0515 -1.6733 -1.6554 -0.3520 -0.3321 0.4589 0.4594 2.0473 2.0711 2.2670 2.3568 2.5555 2.5964 2.9478 3.1538 3.2618 3.3092 3.5834 3.6269 4.1457 4.2239 4.7234 4.7727 5.0857 5.1049 5.1303 5.1721 5.5868 5.6200 6.1631 6.1724 8.8462 9.0187 9.7067 9.9927 10.8905 10.9434 11.1724 11.6089 k = 0.3063 0.6847 0.5226 ( 3736 PWs) bands (ev): -16.0350 -16.0344 -14.4905 -14.4897 -11.7886 -11.7775 -11.0686 -11.0624 -10.8419 -10.8268 -3.7832 -3.7781 -3.0514 -3.0387 -1.6693 -1.6508 -0.3506 -0.3287 0.4216 0.4222 2.0342 2.0667 2.2669 2.3481 2.5332 2.5678 2.9813 3.1678 3.2822 3.3324 3.6347 3.6751 4.1544 4.2315 4.7720 4.8247 5.0835 5.0989 5.1336 5.1741 5.5873 5.6237 6.1724 6.1815 8.8581 9.0467 9.6970 9.9904 10.8872 10.9385 11.1503 11.6135 k = 0.3123 0.6695 0.5062 ( 3732 PWs) bands (ev): -16.0657 -16.0650 -14.4443 -14.4434 -11.8321 -11.8210 -11.0683 -11.0622 -10.8047 -10.7900 -3.8213 -3.8162 -3.0393 -3.0264 -1.6633 -1.6445 -0.3490 -0.3250 0.3827 0.3835 2.0193 2.0596 2.2657 2.3386 2.5098 2.5396 3.0157 3.1875 3.3095 3.3589 3.6864 3.7237 4.1659 4.2414 4.8048 4.8602 5.0820 5.0918 5.1479 5.1849 5.5912 5.6297 6.1897 6.1982 8.8681 9.0724 9.6881 9.9875 10.8795 10.9333 11.1327 11.6152 k = 0.3184 0.6544 0.4899 ( 3740 PWs) bands (ev): -16.0970 -16.0963 -14.3959 -14.3950 -11.8750 -11.8639 -11.0697 -11.0638 -10.7669 -10.7527 -3.8615 -3.8564 -3.0281 -3.0151 -1.6550 -1.6363 -0.3474 -0.3212 0.3427 0.3437 2.0028 2.0499 2.2639 2.3289 2.4852 2.5115 3.0512 3.2121 3.3428 3.3887 3.7383 3.7727 4.1798 4.2533 4.8212 4.8773 5.0792 5.0843 5.1726 5.2051 5.5981 5.6373 6.2170 6.2243 8.8754 9.0942 9.6811 9.9835 10.8670 10.9271 11.1209 11.6134 k = 0.3244 0.6392 0.4736 ( 3738 PWs) bands (ev): -16.1287 -16.1280 -14.3458 -14.3448 -11.9172 -11.9062 -11.0725 -11.0668 -10.7290 -10.7153 -3.9032 -3.8982 -3.0181 -3.0052 -1.6440 -1.6258 -0.3456 -0.3172 0.3019 0.3031 1.9846 2.0379 2.2622 2.3199 2.4597 2.4834 3.0879 3.2407 3.3811 3.4217 3.7901 3.8219 4.1960 4.2672 4.8240 4.8790 5.0744 5.0766 5.2032 5.2314 5.6073 5.6458 6.2560 6.2617 8.8792 9.1104 9.6772 9.9779 10.8502 10.9194 11.1158 11.6076 k = 0.3305 0.6240 0.4572 ( 3734 PWs) bands (ev): -16.1606 -16.1599 -14.2942 -14.2933 -11.9586 -11.9478 -11.0762 -11.0708 -10.6916 -10.6784 -3.9462 -3.9414 -3.0098 -2.9972 -1.6303 -1.6130 -0.3438 -0.3130 0.2608 0.2622 1.9649 2.0235 2.2612 2.3122 2.4335 2.4551 3.1258 3.2723 3.4234 3.4580 3.8418 3.8713 4.2145 4.2830 4.8167 4.8696 5.0680 5.0690 5.2348 5.2594 5.6172 5.6540 6.3080 6.3117 8.8788 9.1193 9.6775 9.9702 10.8303 10.9093 11.1177 11.5986 k = 0.3365 0.6089 0.4409 ( 3730 PWs) bands (ev): -16.1925 -16.1918 -14.2415 -14.2406 -11.9991 -11.9885 -11.0808 -11.0757 -10.6547 -10.6420 -3.9902 -3.9856 -3.0033 -2.9912 -1.6137 -1.5976 -0.3417 -0.3086 0.2195 0.2212 1.9436 2.0068 2.2611 2.3063 2.4071 2.4271 3.1646 3.3057 3.4689 3.4975 3.8933 3.9207 4.2350 4.3006 4.8025 4.8529 5.0609 5.0616 5.2645 5.2857 5.6263 5.6606 6.3731 6.3746 8.8737 9.1194 9.6828 9.9598 10.8090 10.8960 11.1261 11.5888 k = 0.3426 0.5937 0.4246 ( 3728 PWs) bands (ev): -16.2240 -16.2233 -14.1880 -14.1870 -12.0388 -12.0283 -11.0862 -11.0812 -10.6186 -10.6065 -4.0350 -4.0306 -2.9989 -2.9874 -1.5943 -1.5797 -0.3391 -0.3038 0.1784 0.1804 1.9207 1.9878 2.2615 2.3019 2.3816 2.3999 3.2041 3.3402 3.5170 3.5402 3.9444 3.9701 4.2577 4.3201 4.7833 4.8310 5.0535 5.0546 5.2911 5.3090 5.6332 5.6650 6.4499 6.4506 8.8633 9.1101 9.6932 9.9460 10.7877 10.8786 11.1411 11.5813 k = 0.3486 0.5786 0.4083 ( 3724 PWs) bands (ev): -16.2552 -16.2545 -14.1338 -14.1329 -12.0775 -12.0672 -11.0921 -11.0873 -10.5835 -10.5719 -4.0804 -4.0763 -2.9965 -2.9858 -1.5722 -1.5593 -0.3359 -0.2984 0.1377 0.1401 1.8963 1.9667 2.2609 2.2973 2.3587 2.3755 3.2440 3.3751 3.5670 3.5856 3.9952 4.0195 4.2823 4.3413 4.7606 4.8056 5.0463 5.0480 5.3149 5.3288 5.6374 5.6670 6.5362 6.5387 8.8474 9.0914 9.7078 9.9284 10.7678 10.8567 11.1625 11.5788 k = 0.3547 0.5634 0.3919 ( 3722 PWs) bands (ev): -16.2857 -16.2851 -14.0793 -14.0783 -12.1151 -12.1050 -11.0985 -11.0939 -10.5494 -10.5383 -4.1262 -4.1223 -2.9962 -2.9863 -1.5475 -1.5365 -0.3319 -0.2924 0.0976 0.1005 1.8705 1.9436 2.2558 2.2881 2.3423 2.3583 3.2842 3.4100 3.6184 3.6334 4.0457 4.0688 4.3088 4.3641 4.7353 4.7775 5.0396 5.0420 5.3361 5.3453 5.6388 5.6666 6.6315 6.6357 8.8259 9.0643 9.7251 9.9066 10.7500 10.8303 11.1905 11.5835 k = 0.3608 0.5483 0.3756 ( 3720 PWs) bands (ev): -16.3157 -16.3150 -14.0246 -14.0237 -12.1516 -12.1418 -11.1054 -11.1010 -10.5164 -10.5058 -4.1723 -4.1687 -2.9978 -2.9888 -1.5206 -1.5116 -0.3269 -0.2855 0.0582 0.0617 1.8435 1.9190 2.2421 2.2699 2.3362 2.3525 3.3246 3.4448 3.6706 3.6828 4.0958 4.1179 4.3372 4.3884 4.7081 4.7474 5.0336 5.0368 5.3552 5.3588 5.6377 5.6642 6.7339 6.7394 8.7988 9.0296 9.7433 9.8803 10.7347 10.8001 11.2252 11.5965 k = 0.3668 0.5331 0.3593 ( 3716 PWs) bands (ev): -16.3448 -16.3441 -13.9700 -13.9691 -12.1870 -12.1775 -11.1127 -11.1085 -10.4846 -10.4746 -4.2185 -4.2151 -3.0011 -2.9930 -1.4917 -1.4848 -0.3208 -0.2776 0.0199 0.0240 1.8155 1.8929 2.2205 2.2443 2.3400 2.3561 3.3654 3.4796 3.7231 3.7332 4.1456 4.1669 4.3671 4.4140 4.6795 4.7159 5.0287 5.0326 5.3696 5.3724 5.6347 5.6602 6.8415 6.8480 8.7665 8.9887 9.7603 9.8496 10.7222 10.7675 11.2666 11.6178 k = 0.3729 0.5180 0.3429 ( 3716 PWs) bands (ev): -16.3730 -16.3724 -13.9156 -13.9148 -12.2212 -12.2120 -11.1204 -11.1164 -10.4541 -10.4446 -4.2646 -4.2615 -3.0060 -2.9988 -1.4613 -1.4564 -0.3132 -0.2685 -0.0174 -0.0124 1.7866 1.8658 2.1942 2.2150 2.3498 2.3652 3.4067 3.5145 3.7752 3.7839 4.1950 4.2156 4.3984 4.4407 4.6500 4.6835 5.0249 5.0295 5.3779 5.3877 5.6301 5.6551 6.9527 6.9600 8.7293 8.9428 9.7738 9.8148 10.7125 10.7344 11.3146 11.6468 k = 0.3789 0.5028 0.3266 ( 3728 PWs) bands (ev): -16.4003 -16.3997 -13.8618 -13.8609 -12.2542 -12.2452 -11.1284 -11.1245 -10.4249 -10.4158 -4.3105 -4.3077 -3.0122 -3.0058 -1.4296 -1.4267 -0.3043 -0.2581 -0.0534 -0.0474 1.7571 1.8378 2.1659 2.1842 2.3630 2.3773 3.4485 3.5498 3.8266 3.8341 4.2438 4.2638 4.4308 4.4680 4.6202 4.6508 5.0226 5.0277 5.3838 5.4012 5.6246 5.6492 7.0661 7.0739 8.6879 8.8927 9.7763 9.7820 10.7028 10.7052 11.3688 11.6819 k = 0.3850 0.4877 0.3103 ( 3730 PWs) bands (ev): -16.4266 -16.4260 -13.8085 -13.8077 -12.2859 -12.2773 -11.1366 -11.1329 -10.3970 -10.3885 -4.3560 -4.3534 -3.0195 -3.0138 -1.3972 -1.3961 -0.2941 -0.2464 -0.0880 -0.0805 1.7272 1.8091 2.1367 2.1526 2.3781 2.3910 3.4912 3.5857 3.8767 3.8832 4.2919 4.3116 4.4640 4.4952 4.5907 4.6186 5.0219 5.0275 5.3873 5.4125 5.6186 5.6427 7.1804 7.1886 8.6430 8.8396 9.7346 9.7832 10.6747 10.7004 11.4286 11.7205 k = 0.3910 0.4725 0.2939 ( 3742 PWs) bands (ev): -16.4518 -16.4513 -13.7562 -13.7554 -12.3162 -12.3080 -11.1450 -11.1415 -10.3706 -10.3625 -4.4009 -4.3985 -3.0276 -3.0226 -1.3649 -1.3643 -0.2828 -0.2335 -0.1209 -0.1113 1.6969 1.7800 2.1073 2.1209 2.3941 2.4057 3.5348 3.6224 3.9252 3.9308 4.3384 4.3584 4.4975 4.5198 4.5625 4.5895 5.0232 5.0291 5.3883 5.4215 5.6125 5.6359 7.2947 7.3030 8.5953 8.7841 9.6903 9.7760 10.6519 10.6976 11.4927 11.7583 k = 0.3971 0.4574 0.2776 ( 3744 PWs) bands (ev): -16.4759 -16.4754 -13.7049 -13.7042 -12.3452 -12.3373 -11.1536 -11.1503 -10.3455 -10.3378 -4.4451 -4.4429 -3.0362 -3.0320 -1.3335 -1.3314 -0.2714 -0.2200 -0.1514 -0.1388 1.6665 1.7504 2.0782 2.0894 2.4104 2.4206 3.5794 3.6600 3.9717 3.9764 4.3815 4.4041 4.5274 4.5280 4.5414 4.5773 5.0265 5.0326 5.3869 5.4278 5.6067 5.6289 7.4079 7.4163 8.5456 8.7272 9.6440 9.7598 10.6353 10.6968 11.5596 11.7892 k = 0.4031 0.4422 0.2613 ( 3748 PWs) bands (ev): -16.4987 -16.4983 -13.6549 -13.6542 -12.3729 -12.3653 -11.1623 -11.1592 -10.3218 -10.3146 -4.4882 -4.4863 -3.0453 -3.0416 -1.3021 -1.2988 -0.2621 -0.2101 -0.1751 -0.1605 1.6361 1.7205 2.0495 2.0585 2.4264 2.4354 3.6251 3.6985 4.0160 4.0197 4.4154 4.4478 4.5073 4.5189 4.5672 4.5950 5.0321 5.0385 5.3831 5.4314 5.6013 5.6218 7.5192 7.5275 8.4947 8.6693 9.5965 9.7349 10.6254 10.6975 11.6259 11.8060 k = 0.4092 0.4271 0.2450 ( 3748 PWs) bands (ev): -16.5204 -16.5199 -13.6063 -13.6057 -12.3991 -12.3919 -11.1710 -11.1681 -10.2995 -10.2928 -4.5302 -4.5284 -3.0545 -3.0514 -1.2711 -1.2668 -0.2598 -0.2215 -0.1744 -0.1719 1.6059 1.6904 2.0217 2.0284 2.4419 2.4496 3.6716 3.7379 4.0579 4.0604 4.4266 4.4721 4.4964 4.5252 4.6004 4.6208 5.0402 5.0467 5.3769 5.4319 5.5964 5.6146 7.6280 7.6359 8.4435 8.6112 9.5483 9.7021 10.6218 10.6997 11.6847 11.8039 k = 0.4152 0.4119 0.2286 ( 3748 PWs) bands (ev): -16.5408 -16.5404 -13.5594 -13.5588 -12.4238 -12.4171 -11.1797 -11.1769 -10.2787 -10.2725 -4.5708 -4.5692 -3.0638 -3.0611 -1.2408 -1.2359 -0.2683 -0.2455 -0.1689 -0.1581 1.5759 1.6601 1.9947 1.9993 2.4565 2.4630 3.7188 3.7780 4.0976 4.0985 4.4149 4.4461 4.5331 4.5536 4.6332 4.6476 5.0509 5.0576 5.3683 5.4295 5.5920 5.6076 7.7333 7.7408 8.3928 8.5535 9.5002 9.6627 10.6236 10.7031 11.7208 11.7827 k = 0.4213 0.3968 0.2123 ( 3738 PWs) bands (ev): -16.5599 -16.5595 -13.5144 -13.5139 -12.4471 -12.4408 -11.1883 -11.1857 -10.2593 -10.2536 -4.6097 -4.6083 -3.0729 -3.0706 -1.2115 -1.2061 -0.2846 -0.2701 -0.1550 -0.1384 1.5464 1.6296 1.9689 1.9715 2.4700 2.4755 3.7661 3.8183 4.1336 4.1349 4.3960 4.4184 4.5701 4.5891 4.6652 4.6737 5.0642 5.0710 5.3574 5.4242 5.5879 5.6006 7.8345 7.8415 8.3433 8.4969 9.4527 9.6185 10.6298 10.7074 11.7196 11.7473 k = 0.4273 0.3816 0.1960 ( 3746 PWs) bands (ev): -16.5777 -16.5773 -13.4715 -13.4710 -12.4689 -12.4630 -11.1967 -11.1943 -10.2414 -10.2361 -4.6469 -4.6456 -3.0818 -3.0798 -1.1835 -1.1778 -0.3035 -0.2935 -0.1353 -0.1171 1.5175 1.5992 1.9444 1.9452 2.4823 2.4869 3.8129 3.8583 4.1650 4.1696 4.3776 4.3930 4.6040 4.6247 4.6960 4.6985 5.0801 5.0870 5.3441 5.4162 5.5841 5.5938 7.9309 7.9372 8.2959 8.4418 9.4065 9.5709 10.6390 10.7125 11.6910 11.7036 k = 0.4334 0.3665 0.1796 ( 3742 PWs) bands (ev): -16.5942 -16.5938 -13.4308 -13.4304 -12.4892 -12.4837 -11.2049 -11.2027 -10.2249 -10.2201 -4.6819 -4.6808 -3.0902 -3.0885 -1.1568 -1.1512 -0.3227 -0.3153 -0.1126 -0.0948 1.4895 1.5689 1.9206 1.9214 2.4934 2.4972 3.8585 3.8973 4.1912 4.2008 4.3638 4.3720 4.6343 4.6578 4.7216 4.7254 5.0982 5.1053 5.3287 5.4056 5.5803 5.5872 8.0212 8.0269 8.2516 8.3893 9.3622 9.5216 10.6504 10.7181 11.6506 11.6564 k = 0.4395 0.3513 0.1633 ( 3742 PWs) bands (ev): -16.6092 -16.6089 -13.3927 -13.3923 -12.5079 -12.5028 -11.2128 -11.2108 -10.2098 -10.2055 -4.7148 -4.7138 -3.0982 -3.0968 -1.1319 -1.1264 -0.3411 -0.3353 -0.0884 -0.0721 1.4626 1.5388 1.8979 1.8999 2.5033 2.5064 3.9019 3.9347 4.2094 4.2256 4.3589 4.3593 4.6608 4.6876 4.7427 4.7532 5.1181 5.1255 5.3114 5.3926 5.5766 5.5811 8.1024 8.1090 8.2138 8.3407 9.3204 9.4718 10.6629 10.7239 11.6062 11.6086 k = 0.4455 0.3361 0.1470 ( 3738 PWs) bands (ev): -16.6229 -16.6226 -13.3572 -13.3569 -12.5250 -12.5204 -11.2202 -11.2184 -10.1962 -10.1923 -4.7452 -4.7443 -3.1056 -3.1044 -1.1087 -1.1036 -0.3582 -0.3536 -0.0636 -0.0493 1.4370 1.5093 1.8771 1.8801 2.5119 2.5144 3.9421 3.9694 4.2168 4.2387 4.3615 4.3667 4.6833 4.7136 4.7614 4.7787 5.1391 5.1469 5.2926 5.3773 5.5729 5.5755 8.1452 8.1781 8.2114 8.3017 9.2816 9.4228 10.6760 10.7298 11.5617 11.5622 k = 0.4516 0.3210 0.1306 ( 3752 PWs) bands (ev): -16.6352 -16.6350 -13.3247 -13.3245 -12.5405 -12.5364 -11.2272 -11.2256 -10.1841 -10.1806 -4.7730 -4.7722 -3.1124 -3.1114 -1.0877 -1.0830 -0.3737 -0.3701 -0.0389 -0.0268 1.4132 1.4806 1.8585 1.8621 2.5193 2.5214 3.9783 4.0008 4.2145 4.2377 4.3815 4.3870 4.7016 4.7360 4.7777 4.8012 5.1602 5.1688 5.2731 5.3599 5.5694 5.5705 8.1232 8.2054 8.2709 8.3005 9.2463 9.3755 10.6889 10.7355 11.5184 11.5189 k = 0.4576 0.3058 0.1143 ( 3750 PWs) bands (ev): -16.6461 -16.6459 -13.2954 -13.2952 -12.5544 -12.5507 -11.2336 -11.2321 -10.1733 -10.1703 -4.7979 -4.7973 -3.1185 -3.1176 -1.0687 -1.0645 -0.3876 -0.3847 -0.0151 -0.0052 1.3914 1.4530 1.8421 1.8460 2.5257 2.5273 4.0097 4.0283 4.2067 4.2284 4.4142 4.4159 4.7156 4.7550 4.7914 4.8198 5.1800 5.1904 5.2545 5.3407 5.5661 5.5662 8.0946 8.1810 8.3341 8.3474 9.2151 9.3309 10.7013 10.7408 11.4782 11.4793 k = 0.4637 0.2907 0.0980 ( 3742 PWs) bands (ev): -16.6556 -16.6554 -13.2694 -13.2692 -12.5665 -12.5633 -11.2393 -11.2381 -10.1640 -10.1614 -4.8199 -4.8194 -3.1238 -3.1231 -1.0520 -1.0484 -0.3997 -0.3974 0.0073 0.0150 1.3721 1.4270 1.8279 1.8318 2.5310 2.5323 4.0359 4.0513 4.1972 4.2165 4.4500 4.4541 4.7251 4.7706 4.8026 4.8333 5.1951 5.2109 5.2405 5.3201 5.5626 5.5632 8.0690 8.1472 8.3911 8.3998 9.1883 9.2895 10.7129 10.7457 11.4422 11.4435 k = 0.4697 0.2755 0.0817 ( 3744 PWs) bands (ev): -16.6636 -16.6634 -13.2470 -13.2469 -12.5768 -12.5742 -11.2442 -11.2432 -10.1561 -10.1539 -4.8387 -4.8383 -3.1284 -3.1278 -1.0376 -1.0346 -0.4100 -0.4081 0.0276 0.0334 1.3556 1.4030 1.8160 1.8196 2.5353 2.5364 4.0570 4.0697 4.1882 4.2049 4.4867 4.4979 4.7298 4.7830 4.8114 4.8405 5.1979 5.2294 5.2394 5.2987 5.5597 5.5607 8.0477 8.1148 8.4406 8.4469 9.1664 9.2520 10.7233 10.7497 11.4110 11.4123 k = 0.4758 0.2604 0.0653 ( 3748 PWs) bands (ev): -16.6701 -16.6700 -13.2283 -13.2282 -12.5854 -12.5832 -11.2484 -11.2476 -10.1496 -10.1479 -4.8543 -4.8540 -3.1322 -3.1317 -1.0258 -1.0234 -0.4184 -0.4170 0.0452 0.0493 1.3425 1.3815 1.8063 1.8095 2.5388 2.5396 4.0731 4.0835 4.1810 4.1949 4.5243 4.5436 4.7296 4.7918 4.8180 4.8406 5.1912 5.2450 5.2496 5.2774 5.5575 5.5586 8.0312 8.0859 8.4817 8.4864 9.1496 9.2189 10.7323 10.7529 11.3849 11.3861 k = 0.4818 0.2452 0.0490 ( 3746 PWs) bands (ev): -16.6753 -16.6752 -13.2136 -13.2136 -12.5920 -12.5904 -11.2517 -11.2511 -10.1445 -10.1432 -4.8665 -4.8663 -3.1351 -3.1348 -1.0164 -1.0146 -0.4250 -0.4239 0.0596 0.0623 1.3330 1.3630 1.7989 1.8014 2.5415 2.5420 4.0848 4.0928 4.1761 4.1870 4.5614 4.5891 4.7245 4.7951 4.8228 4.8350 5.1859 5.2505 5.2609 5.2638 5.5559 5.5569 8.0197 8.0614 8.5143 8.5176 9.1382 9.1908 10.7400 10.7550 11.3643 11.3653 k = 0.4879 0.2301 0.0327 ( 3742 PWs) bands (ev): -16.6789 -16.6788 -13.2030 -13.2030 -12.5967 -12.5956 -11.2541 -11.2537 -10.1408 -10.1399 -4.8753 -4.8751 -3.1372 -3.1370 -1.0096 -1.0084 -0.4296 -0.4289 0.0703 0.0719 1.3275 1.3478 1.7938 1.7955 2.5434 2.5437 4.0927 4.0981 4.1736 4.1811 4.5964 4.6310 4.7164 4.7875 4.8258 4.8292 5.1857 5.2335 5.2700 5.2704 5.5550 5.5557 8.0135 8.0415 8.5379 8.5400 9.1325 9.1678 10.7461 10.7560 11.3495 11.3502 k = 0.4939 0.2149 0.0163 ( 3736 PWs) bands (ev): -16.6811 -16.6811 -13.1966 -13.1965 -12.5995 -12.5989 -11.2555 -11.2552 -10.1385 -10.1380 -4.8806 -4.8805 -3.1384 -3.1383 -1.0054 -1.0048 -0.4323 -0.4320 0.0769 0.0777 1.3262 1.3365 1.7909 1.7918 2.5445 2.5447 4.0975 4.1003 4.1732 4.1770 4.6276 4.6580 4.7151 4.7663 4.8273 4.8276 5.1911 5.2161 5.2758 5.2759 5.5545 5.5549 8.0126 8.0267 8.5523 8.5534 9.1326 9.1503 10.7508 10.7557 11.3406 11.3410 k = 0.5000 0.1998-0.0000 ( 3732 PWs) bands (ev): -16.6818 -16.6818 -13.1944 -13.1944 -12.6002 -12.6002 -11.2558 -11.2558 -10.1376 -10.1376 -4.8823 -4.8823 -3.1388 -3.1388 -1.0038 -1.0038 -0.4331 -0.4331 0.0794 0.0794 1.3292 1.3292 1.7902 1.7902 2.5450 2.5450 4.1000 4.1000 4.1744 4.1744 4.6518 4.6518 4.7374 4.7374 4.8277 4.8277 5.2016 5.2016 5.2778 5.2778 5.5545 5.5545 8.0170 8.0170 8.5575 8.5575 9.1386 9.1386 10.7540 10.7540 11.3378 11.3378 k = 0.5000 0.1998-0.0000 ( 3732 PWs) bands (ev): -16.6818 -16.6818 -13.1944 -13.1944 -12.6002 -12.6002 -11.2558 -11.2558 -10.1376 -10.1376 -4.8823 -4.8823 -3.1388 -3.1388 -1.0038 -1.0038 -0.4331 -0.4331 0.0794 0.0794 1.3292 1.3292 1.7902 1.7902 2.5450 2.5450 4.1000 4.1000 4.1744 4.1744 4.6518 4.6518 4.7374 4.7374 4.8277 4.8277 5.2016 5.2016 5.2778 5.2778 5.5545 5.5545 8.0170 8.0170 8.5575 8.5575 9.1386 9.1386 10.7540 10.7540 11.3378 11.3378 k = 0.4783 0.1911-0.0000 ( 3740 PWs) bands (ev): -16.6818 -16.6818 -13.1944 -13.1944 -12.5998 -12.5998 -11.2564 -11.2564 -10.1376 -10.1376 -4.8811 -4.8811 -3.1400 -3.1400 -1.0050 -1.0050 -0.4328 -0.4328 0.0810 0.0810 1.3281 1.3281 1.7892 1.7892 2.5469 2.5469 4.1002 4.1002 4.1751 4.1751 4.6516 4.6516 4.7367 4.7367 4.8276 4.8276 5.2023 5.2023 5.2778 5.2778 5.5534 5.5534 8.0172 8.0172 8.5574 8.5574 9.1378 9.1378 10.7544 10.7544 11.3382 11.3382 k = 0.4565 0.1824-0.0000 ( 3752 PWs) bands (ev): -16.6819 -16.6819 -13.1944 -13.1944 -12.5987 -12.5987 -11.2580 -11.2580 -10.1376 -10.1376 -4.8776 -4.8776 -3.1435 -3.1435 -1.0085 -1.0085 -0.4320 -0.4320 0.0859 0.0859 1.3249 1.3249 1.7860 1.7860 2.5527 2.5527 4.1009 4.1009 4.1770 4.1770 4.6512 4.6512 4.7344 4.7344 4.8273 4.8273 5.2044 5.2044 5.2778 5.2778 5.5500 5.5500 8.0178 8.0178 8.5569 8.5569 9.1356 9.1356 10.7556 10.7556 11.3396 11.3396 k = 0.4348 0.1737-0.0000 ( 3740 PWs) bands (ev): -16.6820 -16.6820 -13.1944 -13.1944 -12.5969 -12.5969 -11.2605 -11.2605 -10.1376 -10.1376 -4.8717 -4.8717 -3.1493 -3.1493 -1.0141 -1.0141 -0.4305 -0.4305 0.0938 0.0938 1.3197 1.3197 1.7807 1.7807 2.5622 2.5622 4.1016 4.1016 4.1805 4.1805 4.6504 4.6504 4.7309 4.7309 4.8267 4.8267 5.2080 5.2080 5.2778 5.2778 5.5445 5.5445 8.0186 8.0187 8.5562 8.5562 9.1320 9.1320 10.7575 10.7575 11.3422 11.3422 k = 0.4130 0.1650-0.0000 ( 3732 PWs) bands (ev): -16.6821 -16.6821 -13.1944 -13.1944 -12.5944 -12.5944 -11.2641 -11.2641 -10.1376 -10.1376 -4.8636 -4.8636 -3.1574 -3.1574 -1.0218 -1.0218 -0.4285 -0.4285 0.1045 0.1045 1.3125 1.3125 1.7736 1.7736 2.5752 2.5752 4.1021 4.1021 4.1858 4.1858 4.6492 4.6492 4.7262 4.7262 4.8260 4.8260 5.2130 5.2130 5.2778 5.2778 5.5369 5.5369 8.0197 8.0197 8.5551 8.5551 9.1272 9.1272 10.7598 10.7598 11.3462 11.3463 k = 0.3913 0.1563-0.0000 ( 3716 PWs) bands (ev): -16.6822 -16.6822 -13.1944 -13.1944 -12.5912 -12.5912 -11.2686 -11.2686 -10.1376 -10.1376 -4.8533 -4.8533 -3.1676 -3.1676 -1.0311 -1.0311 -0.4260 -0.4260 0.1178 0.1178 1.3037 1.3037 1.7648 1.7648 2.5914 2.5914 4.1019 4.1019 4.1930 4.1930 4.6474 4.6474 4.7207 4.7208 4.8250 4.8250 5.2192 5.2192 5.2778 5.2778 5.5274 5.5274 8.0208 8.0209 8.5538 8.5538 9.1213 9.1213 10.7623 10.7623 11.3521 11.3521 k = 0.3696 0.1477-0.0000 ( 3716 PWs) bands (ev): -16.6824 -16.6824 -13.1944 -13.1944 -12.5874 -12.5874 -11.2739 -11.2739 -10.1376 -10.1376 -4.8409 -4.8409 -3.1798 -3.1798 -1.0419 -1.0419 -0.4230 -0.4230 0.1331 0.1331 1.2935 1.2935 1.7545 1.7545 2.6103 2.6103 4.1008 4.1008 4.2023 4.2023 4.6447 4.6448 4.7149 4.7149 4.8238 4.8238 5.2266 5.2266 5.2778 5.2778 5.5162 5.5162 8.0219 8.0219 8.5522 8.5522 9.1146 9.1146 10.7647 10.7648 11.3601 11.3602 k = 0.3478 0.1390-0.0000 ( 3712 PWs) bands (ev): -16.6826 -16.6826 -13.1944 -13.1944 -12.5831 -12.5831 -11.2800 -11.2800 -10.1376 -10.1376 -4.8267 -4.8267 -3.1940 -3.1940 -1.0538 -1.0538 -0.4195 -0.4195 0.1502 0.1502 1.2820 1.2820 1.7429 1.7429 2.6317 2.6317 4.0988 4.0988 4.2134 4.2134 4.6410 4.6410 4.7091 4.7091 4.8224 4.8224 5.2351 5.2351 5.2778 5.2778 5.5036 5.5036 8.0226 8.0226 8.5502 8.5502 9.1073 9.1073 10.7669 10.7669 11.3707 11.3707 k = 0.3261 0.1303-0.0000 ( 3704 PWs) bands (ev): -16.6828 -16.6828 -13.1944 -13.1944 -12.5783 -12.5783 -11.2868 -11.2868 -10.1376 -10.1376 -4.8107 -4.8107 -3.2100 -3.2100 -1.0665 -1.0665 -0.4155 -0.4155 0.1686 0.1686 1.2697 1.2697 1.7304 1.7304 2.6551 2.6551 4.0958 4.0958 4.2260 4.2260 4.6360 4.6360 4.7039 4.7039 4.8207 4.8207 5.2444 5.2444 5.2778 5.2778 5.4897 5.4897 8.0229 8.0229 8.5480 8.5480 9.0997 9.0997 10.7685 10.7685 11.3839 11.3839 k = 0.3043 0.1216-0.0000 ( 3704 PWs) bands (ev): -16.6831 -16.6831 -13.1944 -13.1944 -12.5731 -12.5731 -11.2941 -11.2941 -10.1377 -10.1377 -4.7931 -4.7931 -3.2275 -3.2275 -1.0796 -1.0796 -0.4113 -0.4113 0.1879 0.1879 1.2567 1.2567 1.7172 1.7172 2.6800 2.6800 4.0920 4.0920 4.2397 4.2397 4.6295 4.6295 4.6998 4.6998 4.8187 4.8187 5.2543 5.2543 5.2778 5.2778 5.4751 5.4751 8.0226 8.0227 8.5455 8.5455 9.0919 9.0919 10.7696 10.7696 11.4000 11.4000 k = 0.2826 0.1129-0.0000 ( 3704 PWs) bands (ev): -16.6834 -16.6834 -13.1943 -13.1943 -12.5676 -12.5676 -11.3018 -11.3018 -10.1377 -10.1377 -4.7743 -4.7743 -3.2463 -3.2463 -1.0929 -1.0929 -0.4067 -0.4067 0.2078 0.2078 1.2433 1.2433 1.7035 1.7035 2.7060 2.7060 4.0876 4.0876 4.2540 4.2541 4.6217 4.6217 4.6970 4.6971 4.8164 4.8164 5.2643 5.2643 5.2779 5.2779 5.4600 5.4600 8.0217 8.0218 8.5427 8.5427 9.0841 9.0842 10.7700 10.7700 11.4187 11.4187 k = 0.2609 0.1042-0.0000 ( 3716 PWs) bands (ev): -16.6836 -16.6836 -13.1943 -13.1943 -12.5618 -12.5618 -11.3098 -11.3098 -10.1377 -10.1377 -4.7545 -4.7545 -3.2663 -3.2663 -1.1060 -1.1060 -0.4020 -0.4020 0.2277 0.2277 1.2298 1.2298 1.6897 1.6897 2.7326 2.7326 4.0826 4.0826 4.2686 4.2686 4.6130 4.6130 4.6956 4.6956 4.8139 4.8139 5.2740 5.2740 5.2780 5.2780 5.4451 5.4451 8.0201 8.0202 8.5397 8.5397 9.0766 9.0766 10.7699 10.7699 11.4400 11.4400 k = 0.2391 0.0955-0.0000 ( 3716 PWs) bands (ev): -16.6839 -16.6839 -13.1943 -13.1943 -12.5559 -12.5559 -11.3179 -11.3179 -10.1377 -10.1377 -4.7339 -4.7339 -3.2870 -3.2870 -1.1189 -1.1189 -0.3972 -0.3972 0.2473 0.2473 1.2164 1.2164 1.6760 1.6760 2.7594 2.7594 4.0772 4.0772 4.2829 4.2829 4.6037 4.6037 4.6954 4.6954 4.8110 4.8110 5.2775 5.2775 5.2836 5.2836 5.4310 5.4310 8.0178 8.0179 8.5366 8.5366 9.0694 9.0695 10.7693 10.7693 11.4635 11.4635 k = 0.2174 0.0869-0.0000 ( 3724 PWs) bands (ev): -16.6842 -16.6842 -13.1943 -13.1943 -12.5501 -12.5501 -11.3260 -11.3260 -10.1377 -10.1377 -4.7130 -4.7130 -3.3082 -3.3082 -1.1312 -1.1312 -0.3923 -0.3923 0.2664 0.2664 1.2034 1.2034 1.6626 1.6626 2.7859 2.7859 4.0715 4.0715 4.2965 4.2965 4.5943 4.5943 4.6964 4.6964 4.8077 4.8077 5.2776 5.2776 5.2911 5.2911 5.4186 5.4186 8.0149 8.0149 8.5334 8.5334 9.0627 9.0627 10.7683 10.7683 11.4887 11.4887 k = 0.1957 0.0782-0.0000 ( 3728 PWs) bands (ev): -16.6844 -16.6844 -13.1943 -13.1943 -12.5443 -12.5443 -11.3340 -11.3340 -10.1378 -10.1378 -4.6920 -4.6920 -3.3294 -3.3294 -1.1427 -1.1427 -0.3875 -0.3875 0.2846 0.2846 1.1910 1.1910 1.6497 1.6497 2.8117 2.8117 4.0657 4.0657 4.3091 4.3091 4.5852 4.5852 4.6985 4.6985 4.8041 4.8041 5.2776 5.2776 5.2961 5.2961 5.4089 5.4089 8.0114 8.0114 8.5302 8.5302 9.0565 9.0565 10.7672 10.7672 11.5151 11.5151 k = 0.1739 0.0695-0.0000 ( 3736 PWs) bands (ev): -16.6847 -16.6847 -13.1943 -13.1943 -12.5387 -12.5387 -11.3417 -11.3417 -10.1378 -10.1378 -4.6714 -4.6714 -3.3502 -3.3502 -1.1534 -1.1534 -0.3829 -0.3829 0.3017 0.3017 1.1793 1.1793 1.6376 1.6376 2.8363 2.8363 4.0600 4.0600 4.3204 4.3204 4.5768 4.5768 4.7015 4.7015 4.8002 4.8002 5.2775 5.2775 5.2978 5.2978 5.4028 5.4028 8.0074 8.0075 8.5271 8.5271 9.0508 9.0508 10.7660 10.7660 11.5419 11.5419 k = 0.1522 0.0608-0.0000 ( 3728 PWs) bands (ev): -16.6849 -16.6849 -13.1943 -13.1943 -12.5334 -12.5334 -11.3488 -11.3488 -10.1378 -10.1378 -4.6516 -4.6516 -3.3703 -3.3703 -1.1630 -1.1630 -0.3785 -0.3785 0.3173 0.3173 1.1686 1.1686 1.6265 1.6265 2.8593 2.8593 4.0545 4.0545 4.3302 4.3302 4.5692 4.5692 4.7055 4.7055 4.7958 4.7958 5.2774 5.2774 5.2961 5.2961 5.4006 5.4006 8.0033 8.0033 8.5241 8.5241 9.0457 9.0458 10.7648 10.7649 11.5685 11.5685 k = 0.1304 0.0521-0.0000 ( 3732 PWs) bands (ev): -16.6851 -16.6851 -13.1943 -13.1943 -12.5286 -12.5286 -11.3554 -11.3554 -10.1378 -10.1378 -4.6331 -4.6331 -3.3890 -3.3890 -1.1715 -1.1715 -0.3745 -0.3745 0.3313 0.3313 1.1590 1.1590 1.6165 1.6165 2.8802 2.8802 4.0493 4.0493 4.3384 4.3384 4.5626 4.5626 4.7102 4.7103 4.7911 4.7911 5.2771 5.2771 5.2917 5.2917 5.4015 5.4015 7.9991 7.9992 8.5214 8.5214 9.0413 9.0413 10.7638 10.7638 11.5940 11.5940 k = 0.1087 0.0434-0.0000 ( 3720 PWs) bands (ev): -16.6853 -16.6853 -13.1943 -13.1943 -12.5243 -12.5243 -11.3612 -11.3612 -10.1378 -10.1378 -4.6164 -4.6164 -3.4060 -3.4060 -1.1788 -1.1788 -0.3709 -0.3709 0.3435 0.3435 1.1506 1.1506 1.6078 1.6078 2.8987 2.8987 4.0446 4.0446 4.3450 4.3450 4.5571 4.5571 4.7157 4.7157 4.7860 4.7860 5.2765 5.2765 5.2862 5.2862 5.4045 5.4045 7.9952 7.9952 8.5190 8.5190 9.0375 9.0375 10.7629 10.7629 11.6177 11.6177 k = 0.0870 0.0347-0.0000 ( 3725 PWs) bands (ev): -16.6855 -16.6855 -13.1943 -13.1943 -12.5207 -12.5207 -11.3661 -11.3661 -10.1378 -10.1378 -4.6019 -4.6019 -3.4207 -3.4207 -1.1849 -1.1849 -0.3679 -0.3679 0.3536 0.3537 1.1436 1.1436 1.6005 1.6005 2.9144 2.9144 4.0405 4.0405 4.3500 4.3500 4.5527 4.5527 4.7217 4.7217 4.7805 4.7806 5.2746 5.2746 5.2816 5.2816 5.4082 5.4082 7.9916 7.9916 8.5169 8.5169 9.0344 9.0344 10.7621 10.7621 11.6386 11.6386 k = 0.0652 0.0261-0.0000 ( 3725 PWs) bands (ev): -16.6856 -16.6856 -13.1943 -13.1943 -12.5178 -12.5178 -11.3701 -11.3701 -10.1378 -10.1378 -4.5900 -4.5900 -3.4327 -3.4327 -1.1897 -1.1897 -0.3654 -0.3654 0.3617 0.3617 1.1380 1.1380 1.5947 1.5947 2.9270 2.9270 4.0372 4.0372 4.3538 4.3538 4.5493 4.5493 4.7280 4.7280 4.7749 4.7749 5.2708 5.2708 5.2797 5.2797 5.4119 5.4119 7.9885 7.9886 8.5153 8.5153 9.0319 9.0319 10.7615 10.7615 11.6560 11.6560 k = 0.0435 0.0174-0.0000 ( 3717 PWs) bands (ev): -16.6857 -16.6857 -13.1943 -13.1943 -12.5156 -12.5156 -11.3730 -11.3730 -10.1379 -10.1379 -4.5813 -4.5813 -3.4416 -3.4416 -1.1931 -1.1931 -0.3636 -0.3636 0.3675 0.3675 1.1340 1.1340 1.5905 1.5905 2.9362 2.9362 4.0348 4.0348 4.3563 4.3563 4.5469 4.5469 4.7341 4.7341 4.7693 4.7693 5.2669 5.2669 5.2791 5.2791 5.4149 5.4149 7.9863 7.9863 8.5141 8.5141 9.0302 9.0302 10.7611 10.7611 11.6690 11.6690 k = 0.0217 0.0087-0.0000 ( 3725 PWs) bands (ev): -16.6857 -16.6857 -13.1943 -13.1943 -12.5143 -12.5143 -11.3748 -11.3748 -10.1379 -10.1379 -4.5759 -4.5759 -3.4471 -3.4471 -1.1952 -1.1952 -0.3625 -0.3625 0.3710 0.3710 1.1315 1.1315 1.5880 1.5880 2.9417 2.9417 4.0332 4.0332 4.3577 4.3577 4.5455 4.5455 4.7393 4.7393 4.7645 4.7645 5.2643 5.2643 5.2788 5.2788 5.4167 5.4167 7.9849 7.9849 8.5133 8.5133 9.0291 9.0291 10.7609 10.7609 11.6771 11.6771 k = 0.0000 0.0000 0.0000 ( 3717 PWs) bands (ev): -16.6858 -16.6858 -13.1943 -13.1943 -12.5138 -12.5138 -11.3753 -11.3753 -10.1379 -10.1379 -4.5740 -4.5740 -3.4489 -3.4489 -1.1958 -1.1958 -0.3622 -0.3622 0.3722 0.3722 1.1307 1.1307 1.5871 1.5871 2.9436 2.9436 4.0327 4.0327 4.3582 4.3582 4.5451 4.5451 4.7416 4.7416 4.7624 4.7624 5.2634 5.2634 5.2788 5.2788 5.4174 5.4174 7.9844 7.9844 8.5131 8.5131 9.0287 9.0287 10.7608 10.7608 11.6799 11.6799 k = 0.0000 0.0000 0.0000 ( 3717 PWs) bands (ev): -16.6858 -16.6858 -13.1943 -13.1943 -12.5138 -12.5138 -11.3753 -11.3753 -10.1379 -10.1379 -4.5740 -4.5740 -3.4489 -3.4489 -1.1958 -1.1958 -0.3622 -0.3622 0.3722 0.3722 1.1307 1.1307 1.5871 1.5871 2.9436 2.9436 4.0327 4.0327 4.3582 4.3582 4.5451 4.5451 4.7416 4.7416 4.7624 4.7624 5.2634 5.2634 5.2788 5.2788 5.4174 5.4174 7.9844 7.9844 8.5131 8.5131 9.0287 9.0287 10.7608 10.7608 11.6799 11.6799 k = 0.0061-0.0154 0.0165 ( 3725 PWs) bands (ev): -16.6857 -16.6857 -13.1943 -13.1943 -12.5132 -12.5128 -11.3753 -11.3752 -10.1387 -10.1384 -4.5740 -4.5736 -3.4493 -3.4492 -1.2017 -1.1976 -0.3633 -0.3620 0.3732 0.3750 1.1267 1.1357 1.5862 1.5879 2.9434 2.9438 4.0172 4.0476 4.3286 4.3855 4.5388 4.5496 4.7341 4.7434 4.7603 4.7644 5.2585 5.2663 5.2782 5.2820 5.4175 5.4214 7.9865 7.9898 8.5118 8.5146 9.0051 9.0549 10.7415 10.7794 11.6689 11.6899 k = 0.0123-0.0307 0.0330 ( 3725 PWs) bands (ev): -16.6855 -16.6854 -13.1942 -13.1942 -12.5108 -12.5100 -11.3750 -11.3747 -10.1409 -10.1403 -4.5735 -4.5726 -3.4501 -3.4500 -1.2148 -1.2068 -0.3654 -0.3629 0.3779 0.3813 1.1236 1.1417 1.5852 1.5886 2.9433 2.9440 4.0012 4.0611 4.2979 4.4099 4.5320 4.5513 4.7204 4.7404 4.7581 4.7663 5.2534 5.2646 5.2827 5.2864 5.4216 5.4295 7.9961 8.0027 8.5107 8.5162 8.9841 9.0836 10.7217 10.7972 11.6571 11.6990 k = 0.0184-0.0461 0.0496 ( 3722 PWs) bands (ev): -16.6852 -16.6850 -13.1941 -13.1941 -12.5067 -12.5055 -11.3744 -11.3741 -10.1445 -10.1436 -4.5724 -4.5711 -3.4515 -3.4513 -1.2350 -1.2233 -0.3683 -0.3647 0.3861 0.3908 1.1214 1.1488 1.5843 1.5891 2.9431 2.9442 3.9848 4.0720 4.2677 4.4305 4.5253 4.5493 4.7006 4.7335 4.7566 4.7682 5.2483 5.2603 5.2899 5.2916 5.4296 5.4412 8.0128 8.0231 8.5098 8.5179 8.9657 9.1146 10.7015 10.8142 11.6443 11.7073 k = 0.0245-0.0614 0.0661 ( 3710 PWs) bands (ev): -16.6846 -16.6844 -13.1940 -13.1939 -12.5008 -12.4993 -11.3736 -11.3732 -10.1495 -10.1483 -4.5708 -4.5691 -3.4533 -3.4531 -1.2619 -1.2469 -0.3717 -0.3672 0.3971 0.4028 1.1199 1.1571 1.5837 1.5894 2.9429 2.9443 3.9680 4.0779 4.2409 4.4467 4.5195 4.5426 4.6756 4.7230 4.7565 4.7699 5.2429 5.2549 5.2979 5.2982 5.4409 5.4560 8.0364 8.0508 8.5093 8.5199 8.9500 9.1478 10.6811 10.8304 11.6308 11.7149 k = 0.0307-0.0768 0.0826 ( 3712 PWs) bands (ev): -16.6840 -16.6837 -13.1938 -13.1937 -12.4933 -12.4913 -11.3726 -11.3720 -10.1559 -10.1544 -4.5687 -4.5665 -3.4556 -3.4553 -1.2949 -1.2772 -0.3756 -0.3704 0.4105 0.4168 1.1191 1.1665 1.5836 1.5898 2.9427 2.9445 3.9508 4.0749 4.2216 4.4580 4.5147 4.5311 4.6465 4.7098 4.7580 4.7715 5.2371 5.2488 5.3051 5.3069 5.4550 5.4733 8.0664 8.0853 8.5089 8.5220 8.9371 9.1832 10.6610 10.8458 11.6164 11.7218 k = 0.0368-0.0921 0.0991 ( 3710 PWs) bands (ev): -16.6832 -16.6828 -13.1936 -13.1935 -12.4840 -12.4817 -11.3713 -11.3707 -10.1637 -10.1618 -4.5661 -4.5635 -3.4583 -3.4579 -1.3337 -1.3136 -0.3797 -0.3741 0.4253 0.4318 1.1189 1.1771 1.5843 1.5904 2.9424 2.9447 3.9332 4.0595 4.2131 4.4640 4.5102 4.5151 4.6153 4.6946 4.7608 4.7731 5.2309 5.2421 5.3132 5.3159 5.4716 5.4926 8.1022 8.1264 8.5089 8.5242 8.9269 9.2205 10.6414 10.8606 11.6015 11.7280 k = 0.0429-0.1075 0.1157 ( 3714 PWs) bands (ev): -16.6822 -16.6818 -13.1933 -13.1933 -12.4730 -12.4703 -11.3699 -11.3691 -10.1728 -10.1707 -4.5630 -4.5600 -3.4614 -3.4609 -1.3776 -1.3557 -0.3839 -0.3780 0.4410 0.4471 1.1193 1.1888 1.5860 1.5912 2.9422 2.9448 3.9152 4.0334 4.2140 4.4650 4.4954 4.5028 4.5856 4.6780 4.7643 4.7749 5.2241 5.2349 5.3219 5.3251 5.4900 5.5133 8.1431 8.1736 8.5093 8.5267 8.9195 9.2597 10.6229 10.8747 11.5859 11.7339 k = 0.0491-0.1229 0.1322 ( 3714 PWs) bands (ev): -16.6812 -16.6807 -13.1931 -13.1930 -12.4604 -12.4573 -11.3682 -11.3673 -10.1834 -10.1810 -4.5594 -4.5560 -3.4646 -3.4641 -1.4260 -1.4027 -0.3882 -0.3821 0.4565 0.4620 1.1203 1.2016 1.5890 1.5927 2.9419 2.9449 3.8970 4.0007 4.2195 4.4607 4.4734 4.4870 4.5640 4.6604 4.7680 4.7768 5.2169 5.2273 5.3311 5.3345 5.5099 5.5349 8.1884 8.2264 8.5099 8.5294 8.9149 9.3005 10.6059 10.8883 11.5699 11.7393 k = 0.0552-0.1382 0.1487 ( 3718 PWs) bands (ev): -16.6800 -16.6795 -13.1927 -13.1926 -12.4461 -12.4426 -11.3663 -11.3653 -10.1954 -10.1927 -4.5554 -4.5515 -3.4680 -3.4674 -1.4784 -1.4542 -0.3923 -0.3864 0.4712 0.4757 1.1221 1.2155 1.5937 1.5949 2.9416 2.9449 3.8785 3.9648 4.2255 4.4445 4.4503 4.4663 4.5543 4.6423 4.7712 4.7788 5.2092 5.2192 5.3408 5.3442 5.5309 5.5572 8.2370 8.2842 8.5110 8.5326 8.9131 9.3428 10.5909 10.9012 11.5537 11.7445 k = 0.0614-0.1536 0.1652 ( 3732 PWs) bands (ev): -16.6786 -16.6781 -13.1924 -13.1923 -12.4301 -12.4263 -11.3643 -11.3631 -10.2089 -10.2058 -4.5508 -4.5466 -3.4714 -3.4708 -1.5344 -1.5096 -0.3964 -0.3906 0.4841 0.4876 1.1248 1.2304 1.5982 1.6001 2.9412 2.9449 3.8601 3.9278 4.2287 4.4091 4.4278 4.4524 4.5526 4.6245 4.7734 4.7805 5.2011 5.2107 5.3509 5.3542 5.5527 5.5799 8.2881 8.3464 8.5125 8.5364 8.9143 9.3865 10.5785 10.9134 11.5374 11.7496 k = 0.0675-0.1689 0.1818 ( 3726 PWs) bands (ev): -16.6772 -16.6766 -13.1920 -13.1919 -12.4125 -12.4084 -11.3620 -11.3608 -10.2238 -10.2204 -4.5458 -4.5412 -3.4747 -3.4740 -1.5933 -1.5683 -0.4003 -0.3948 0.4947 0.4972 1.1286 1.2462 1.6029 1.6085 2.9408 2.9449 3.8418 3.8910 4.2262 4.3663 4.4075 4.4381 4.5553 4.6076 4.7744 4.7820 5.1927 5.2020 5.3614 5.3646 5.5749 5.6027 8.3402 8.4121 8.5146 8.5414 8.9183 9.4312 10.5692 10.9249 11.5214 11.7545 k = 0.0736-0.1843 0.1983 ( 3718 PWs) bands (ev): -16.6756 -16.6750 -13.1916 -13.1915 -12.3933 -12.3888 -11.3596 -11.3583 -10.2401 -10.2364 -4.5403 -4.5354 -3.4778 -3.4770 -1.6548 -1.6298 -0.4041 -0.3990 0.5022 0.5039 1.1338 1.2629 1.6092 1.6191 2.9403 2.9448 3.8236 3.8551 4.2160 4.3208 4.3901 4.4208 4.5607 4.5928 4.7739 4.7829 5.1838 5.1928 5.3722 5.3753 5.5974 5.6256 8.3914 8.4795 8.5185 8.5486 8.9255 9.4769 10.5635 10.9356 11.5059 11.7593 k = 0.0798-0.1996 0.2148 ( 3726 PWs) bands (ev): -16.6740 -16.6734 -13.1912 -13.1910 -12.3726 -12.3677 -11.3571 -11.3556 -10.2578 -10.2538 -4.5344 -4.5291 -3.4805 -3.4797 -1.7186 -1.6937 -0.4078 -0.4031 0.5061 0.5074 1.1407 1.2803 1.6173 1.6319 2.9398 2.9446 3.8057 3.8206 4.1979 4.2744 4.3748 4.4001 4.5680 4.5814 4.7718 4.7830 5.1747 5.1834 5.3835 5.3864 5.6199 5.6484 8.4386 8.5151 8.5565 8.5602 8.9359 9.5235 10.5618 10.9453 11.4913 11.7641 k = 0.0859-0.2150 0.2313 ( 3726 PWs) bands (ev): -16.6723 -16.6716 -13.1907 -13.1906 -12.3503 -12.3451 -11.3545 -11.3529 -10.2770 -10.2727 -4.5281 -4.5224 -3.4828 -3.4819 -1.7840 -1.7595 -0.4114 -0.4071 0.5059 0.5073 1.1496 1.2985 1.6275 1.6469 2.9391 2.9443 3.7879 3.7879 4.1729 4.2278 4.3593 4.3762 4.5742 4.5766 4.7681 4.7822 5.1654 5.1738 5.3950 5.3978 5.6423 5.6709 8.4763 8.5193 8.5808 8.6274 8.9500 9.5707 10.5646 10.9538 11.4781 11.7688 k = 0.0920-0.2303 0.2479 ( 3724 PWs) bands (ev): -16.6705 -16.6698 -13.1902 -13.1901 -12.3264 -12.3209 -11.3517 -11.3500 -10.2977 -10.2930 -4.5214 -4.5154 -3.4844 -3.4835 -1.8510 -1.8270 -0.4149 -0.4110 0.5013 0.5036 1.1608 1.3173 1.6401 1.6642 2.9383 2.9440 3.7571 3.7701 4.1430 4.1820 4.3414 4.3495 4.5718 4.5862 4.7628 4.7804 5.1558 5.1639 5.4069 5.4096 5.6644 5.6932 8.5005 8.5223 8.6134 8.6991 8.9687 9.6186 10.5720 10.9610 11.4666 11.7733 k = 0.0982-0.2457 0.2644 ( 3712 PWs) bands (ev): -16.6686 -16.6679 -13.1898 -13.1896 -12.3011 -12.2953 -11.3489 -11.3471 -10.3197 -10.3147 -4.5143 -4.5079 -3.4853 -3.4844 -1.9191 -1.8957 -0.4183 -0.4149 0.4924 0.4960 1.1743 1.3366 1.6551 1.6837 2.9373 2.9435 3.7284 3.7520 4.1098 4.1374 4.3201 4.3201 4.5736 4.5963 4.7562 4.7777 5.1460 5.1539 5.4192 5.4218 5.6862 5.7152 8.5140 8.5252 8.6545 8.7681 8.9938 9.6672 10.5844 10.9667 11.4572 11.7776 k = 0.1043-0.2611 0.2809 ( 3724 PWs) bands (ev): -16.6667 -16.6659 -13.1893 -13.1891 -12.2743 -12.2682 -11.3460 -11.3441 -10.3432 -10.3378 -4.5068 -4.5002 -3.4854 -3.4844 -1.9880 -1.9654 -0.4217 -0.4187 0.4791 0.4846 1.1902 1.3566 1.6726 1.7054 2.9362 2.9428 3.7016 3.7329 4.0743 4.0950 4.2884 4.2952 4.5786 4.6065 4.7487 4.7742 5.1361 5.1437 5.4317 5.4343 5.7073 5.7366 8.5222 8.5280 8.6981 8.8305 9.0282 9.7164 10.6016 10.9709 11.4502 11.7815 k = 0.1104-0.2764 0.2974 ( 3734 PWs) bands (ev): -16.6647 -16.6639 -13.1887 -13.1886 -12.2461 -12.2397 -11.3431 -11.3411 -10.3681 -10.3624 -4.4989 -4.4921 -3.4844 -3.4834 -2.0576 -2.0358 -0.4249 -0.4224 0.4617 0.4694 1.2086 1.3771 1.6927 1.7292 2.9349 2.9420 3.6766 3.7124 4.0374 4.0553 4.2546 4.2674 4.5854 4.6167 4.7407 4.7700 5.1261 5.1335 5.4444 5.4470 5.7278 5.7574 8.5277 8.5308 8.7406 8.8824 9.0751 9.7663 10.6236 10.9737 11.4459 11.7846 k = 0.1166-0.2918 0.3140 ( 3738 PWs) bands (ev): -16.6627 -16.6619 -13.1882 -13.1881 -12.2165 -12.2099 -11.3402 -11.3381 -10.3943 -10.3883 -4.4908 -4.4837 -3.4823 -3.4813 -2.1276 -2.1066 -0.4281 -0.4260 0.4404 0.4507 1.2292 1.3982 1.7153 1.7549 2.9334 2.9411 3.6532 3.6897 3.9995 4.0191 4.2190 4.2371 4.5926 4.6264 4.7328 4.7654 5.1161 5.1232 5.4574 5.4600 5.7475 5.7776 8.5320 8.5337 8.7804 8.9224 9.1352 9.8169 10.6498 10.9752 11.4444 11.7868 k = 0.1227-0.3071 0.3305 ( 3738 PWs) bands (ev): -16.6606 -16.6599 -13.1877 -13.1875 -12.1856 -12.1788 -11.3373 -11.3350 -10.4219 -10.4155 -4.4823 -4.4750 -3.4789 -3.4779 -2.1977 -2.1775 -0.4312 -0.4295 0.4158 0.4286 1.2519 1.4200 1.7404 1.7826 2.9316 2.9399 3.6311 3.6640 3.9611 3.9870 4.1818 4.2052 4.5991 4.6354 4.7261 4.7608 5.1061 5.1130 5.4706 5.4732 5.7663 5.7970 8.5356 8.5365 8.8166 8.9532 9.2050 9.8684 10.6798 10.9758 11.4456 11.7878 k = 0.1288-0.3225 0.3470 ( 3744 PWs) bands (ev): -16.6586 -16.6579 -13.1872 -13.1870 -12.1534 -12.1464 -11.3344 -11.3321 -10.4507 -10.4441 -4.4736 -4.4661 -3.4741 -3.4731 -2.2677 -2.2485 -0.4343 -0.4329 0.3881 0.4034 1.2766 1.4424 1.7679 1.8120 2.9295 2.9385 3.6099 3.6351 3.9223 3.9593 4.1432 4.1720 4.6039 4.6435 4.7213 4.7566 5.0962 5.1028 5.4839 5.4865 5.7841 5.8154 8.5388 8.5392 8.8488 8.9780 9.2806 9.9205 10.7130 10.9759 11.4493 11.7873 k = 0.1350-0.3378 0.3635 ( 3744 PWs) bands (ev): -16.6566 -16.6558 -13.1866 -13.1865 -12.1200 -12.1128 -11.3317 -11.3292 -10.4808 -10.4738 -4.4647 -4.4570 -3.4678 -3.4668 -2.3376 -2.3192 -0.4372 -0.4363 0.3579 0.3754 1.3032 1.4657 1.7976 1.8432 2.9271 2.9368 3.5892 3.6027 3.8834 3.9358 4.1034 4.1380 4.6061 4.6503 4.7192 4.7533 5.0864 5.0928 5.4972 5.4999 5.8007 5.8329 8.5416 8.5418 8.8770 8.9989 9.3592 9.9732 10.7486 10.9759 11.4553 11.7852 k = 0.1411-0.3532 0.3801 ( 3740 PWs) bands (ev): -16.6546 -16.6538 -13.1861 -13.1859 -12.0855 -12.0781 -11.3290 -11.3264 -10.5121 -10.5048 -4.4555 -4.4478 -3.4598 -3.4588 -2.4070 -2.3895 -0.4401 -0.4395 0.3256 0.3450 1.3314 1.4898 1.8293 1.8759 2.9242 2.9349 3.5670 3.5687 3.8444 3.9162 4.0628 4.1036 4.6058 4.6557 4.7202 4.7512 5.0768 5.0829 5.5106 5.5133 5.8161 5.8493 8.5443 8.5444 8.9012 9.0171 9.4391 10.0264 10.7857 10.9761 11.4634 11.7816 k = 0.1473-0.3686 0.3966 ( 3734 PWs) bands (ev): -16.6526 -16.6518 -13.1856 -13.1854 -12.0498 -12.0424 -11.3265 -11.3237 -10.5445 -10.5369 -4.4463 -4.4385 -3.4501 -3.4492 -2.4758 -2.4592 -0.4428 -0.4427 0.2915 0.3126 1.3612 1.5149 1.8629 1.9101 2.9209 2.9326 3.5287 3.5478 3.8056 3.8994 4.0215 4.0689 4.6037 4.6597 4.7238 4.7508 5.0675 5.0733 5.5240 5.5266 5.8302 5.8646 8.5469 8.5469 8.9217 9.0330 9.5193 10.0797 10.8236 10.9769 11.4733 11.7769 k = 0.1534-0.3839 0.4131 ( 3738 PWs) bands (ev): -16.6506 -16.6499 -13.1851 -13.1849 -12.0132 -12.0057 -11.3241 -11.3212 -10.5780 -10.5700 -4.4369 -4.4292 -3.4385 -3.4377 -2.5438 -2.5282 -0.4457 -0.4454 0.2561 0.2784 1.3925 1.5410 1.8981 1.9457 2.9170 2.9299 3.4882 3.5264 3.7670 3.8843 3.9800 4.0341 4.6008 4.6627 4.7292 4.7519 5.0584 5.0640 5.5373 5.5398 5.8429 5.8785 8.5493 8.5493 8.9390 9.0470 9.5989 10.1327 10.8613 10.9785 11.4847 11.7714 k = 0.1595-0.3993 0.4296 ( 3740 PWs) bands (ev): -16.6487 -16.6480 -13.1846 -13.1844 -11.9757 -11.9681 -11.3220 -11.3189 -10.6123 -10.6040 -4.4276 -4.4199 -3.4251 -3.4243 -2.6109 -2.5962 -0.4487 -0.4479 0.2198 0.2429 1.4251 1.5681 1.9347 1.9825 2.9125 2.9267 3.4461 3.5041 3.7286 3.8697 3.9392 3.9994 4.5982 4.6652 4.7359 4.7545 5.0497 5.0550 5.5504 5.5529 5.8541 5.8911 8.5516 8.5516 8.9534 9.0592 9.6775 10.1851 10.8980 10.9812 11.4974 11.7657 k = 0.1657-0.4146 0.4462 ( 3744 PWs) bands (ev): -16.6468 -16.6462 -13.1841 -13.1840 -11.9373 -11.9297 -11.3201 -11.3168 -10.6475 -10.6389 -4.4183 -4.4108 -3.4096 -3.4089 -2.6769 -2.6631 -0.4515 -0.4502 0.1829 0.2063 1.4590 1.5964 1.9726 2.0204 2.9072 2.9230 3.4030 3.4808 3.6906 3.8528 3.9009 3.9649 4.5969 4.6679 4.7431 4.7581 5.0414 5.0464 5.5632 5.5657 5.8638 5.9022 8.5538 8.5539 8.9655 9.0697 9.7545 10.2365 10.9331 10.9849 11.5110 11.7600 k = 0.1718-0.4300 0.4627 ( 3746 PWs) bands (ev): -16.6451 -16.6444 -13.1837 -13.1835 -11.8983 -11.8908 -11.3184 -11.3149 -10.6833 -10.6744 -4.4091 -4.4018 -3.3922 -3.3915 -2.7416 -2.7288 -0.4542 -0.4524 0.1456 0.1692 1.4941 1.6258 2.0115 2.0592 2.9010 2.9187 3.3593 3.4565 3.6529 3.8285 3.8703 3.9307 4.5976 4.6713 4.7504 4.7623 5.0336 5.0382 5.5758 5.5782 5.8720 5.9120 8.5559 8.5560 8.9756 9.0787 9.8297 10.2863 10.9659 10.9897 11.5255 11.7542 k = 0.1779-0.4453 0.4792 ( 3742 PWs) bands (ev): -16.6434 -16.6428 -13.1832 -13.1831 -11.8588 -11.8513 -11.3171 -11.3133 -10.7197 -10.7105 -4.4001 -4.3931 -3.3726 -3.3721 -2.8048 -2.7930 -0.4568 -0.4543 0.1083 0.1316 1.5304 1.6563 2.0512 2.0988 2.8937 2.9136 3.3154 3.4314 3.6158 3.7940 3.8495 3.8967 4.6007 4.6762 4.7576 4.7669 5.0262 5.0305 5.5881 5.5903 5.8787 5.9202 8.5580 8.5580 8.9842 9.0864 9.9026 10.3340 10.9957 10.9959 11.5404 11.7481 k = 0.1841-0.4607 0.4957 ( 3744 PWs) bands (ev): -16.6418 -16.6412 -13.1828 -13.1827 -11.8189 -11.8116 -11.3160 -11.3120 -10.7563 -10.7469 -4.3914 -4.3847 -3.3509 -3.3506 -2.8662 -2.8555 -0.4592 -0.4560 0.0712 0.0941 1.5678 1.6880 2.0914 2.1390 2.8851 2.9076 3.2716 3.4056 3.5793 3.7549 3.8330 3.8630 4.6064 4.6828 4.7646 4.7717 5.0194 5.0234 5.5999 5.6020 5.8838 5.9270 8.5599 8.5600 8.9917 9.0928 9.9728 10.3792 11.0026 11.0227 11.5556 11.7409 k = 0.1902-0.4761 0.5122 ( 3748 PWs) bands (ev): -16.6403 -16.6397 -13.1824 -13.1823 -11.7789 -11.7719 -11.3153 -11.3108 -10.7931 -10.7834 -4.3831 -4.3769 -3.3273 -3.3272 -2.9257 -2.9161 -0.4613 -0.4574 0.0346 0.0567 1.6062 1.7209 2.1317 2.1795 2.8750 2.9004 3.2284 3.3795 3.5434 3.7149 3.8174 3.8299 4.6149 4.6912 4.7711 4.7765 5.0132 5.0168 5.6113 5.6131 5.8874 5.9322 8.5618 8.5618 8.9984 9.0983 10.0401 10.4214 11.0106 11.0459 11.5709 11.7315 k = 0.1963-0.4914 0.5288 ( 3742 PWs) bands (ev): -16.6389 -16.6384 -13.1821 -13.1820 -11.7391 -11.7325 -11.3148 -11.3099 -10.8297 -10.8198 -4.3753 -4.3696 -3.3020 -3.3017 -2.9827 -2.9744 -0.4633 -0.4586 -0.0013 0.0198 1.6455 1.7549 2.1719 2.2202 2.8633 2.8917 3.1861 3.3534 3.5083 3.6754 3.7973 3.8014 4.6262 4.7017 4.7771 4.7812 5.0076 5.0108 5.6221 5.6237 5.8896 5.9360 8.5636 8.5636 9.0046 9.1031 10.1042 10.4599 11.0195 11.0655 11.5858 11.7194 k = 0.2025-0.5068 0.5453 ( 3742 PWs) bands (ev): -16.6376 -16.6372 -13.1818 -13.1817 -11.7000 -11.6940 -11.3144 -11.3089 -10.8659 -10.8558 -4.3682 -4.3631 -3.2756 -3.2746 -3.0365 -3.0299 -0.4650 -0.4594 -0.0364 -0.0163 1.6858 1.7901 2.2117 2.2607 2.8496 2.8812 3.1451 3.3278 3.4743 3.6369 3.7656 3.7849 4.6401 4.7141 4.7827 4.7859 5.0026 5.0054 5.6324 5.6337 5.8904 5.9382 8.5652 8.5653 9.0107 9.1073 10.1647 10.4943 11.0292 11.0814 11.6002 11.7045 k = 0.2086-0.5221 0.5618 ( 3738 PWs) bands (ev): -16.6364 -16.6361 -13.1815 -13.1814 -11.6622 -11.6570 -11.3138 -11.3075 -10.9012 -10.8910 -4.3618 -4.3574 -3.2497 -3.2471 -3.0853 -3.0812 -0.4664 -0.4598 -0.0705 -0.0516 1.7269 1.8263 2.2504 2.3008 2.8339 2.8682 3.1059 3.3028 3.4416 3.6001 3.7349 3.7678 4.6565 4.7281 4.7878 4.7907 4.9984 5.0007 5.6420 5.6431 5.8899 5.9390 8.5668 8.5668 9.0166 9.1111 10.2213 10.5239 11.0396 11.0937 11.6138 11.6876 k = 0.2147-0.5375 0.5783 ( 3742 PWs) bands (ev): -16.6354 -16.6351 -13.1812 -13.1811 -11.6267 -11.6226 -11.3124 -11.3051 -10.9353 -10.9250 -4.3564 -4.3528 -3.2304 -3.2241 -3.1234 -3.1226 -0.4675 -0.4598 -0.1035 -0.0858 1.7688 1.8637 2.2876 2.3400 2.8161 2.8523 3.0692 3.2783 3.4110 3.5655 3.7055 3.7503 4.6750 4.7432 4.7924 4.7959 4.9949 4.9967 5.6510 5.6517 5.8882 5.9385 8.5682 8.5683 9.0228 9.1147 10.2739 10.5481 11.0508 11.1028 11.6263 11.6697 k = 0.2209-0.5528 0.5949 ( 3738 PWs) bands (ev): -16.6345 -16.6343 -13.1810 -13.1809 -11.5949 -11.5923 -11.3093 -11.3007 -10.9677 -10.9573 -4.3520 -4.3492 -3.2352 -3.2246 -3.1370 -3.1309 -0.4683 -0.4594 -0.1351 -0.1188 1.8113 1.9020 2.3227 2.3779 2.7964 2.8329 3.0354 3.2539 3.3836 3.5334 3.6777 3.7327 4.6954 4.7583 4.7966 4.8023 4.9921 4.9934 5.6593 5.6596 5.8853 5.9366 8.5695 8.5696 9.0292 9.1183 10.3220 10.5662 11.0625 11.1092 11.6373 11.6517 k = 0.2270-0.5682 0.6114 ( 3750 PWs) bands (ev): -16.6338 -16.6336 -13.1808 -13.1808 -11.5687 -11.5679 -11.3029 -11.2928 -10.9979 -10.9876 -4.3489 -4.3470 -3.2654 -3.2559 -3.1148 -3.1087 -0.4687 -0.4585 -0.1654 -0.1504 1.8544 1.9412 2.3547 2.4138 2.7751 2.8097 3.0049 3.2284 3.3606 3.5046 3.6519 3.7153 4.7172 4.7716 4.8005 4.8115 4.9902 4.9908 5.6667 5.6668 5.8814 5.9334 8.5707 8.5709 9.0359 9.1218 10.3657 10.5775 11.0745 11.1133 11.6343 11.6467 k = 0.2332-0.5836 0.6279 ( 3750 PWs) bands (ev): -16.6332 -16.6331 -13.1807 -13.1807 -11.5515 -11.5505 -11.2916 -11.2800 -11.0255 -11.0153 -4.3471 -4.3463 -3.3028 -3.2950 -3.0796 -3.0740 -0.4687 -0.4570 -0.1941 -0.1805 1.8979 1.9813 2.3826 2.4471 2.7531 2.7831 2.9775 3.2008 3.3437 3.4794 3.6282 3.6985 4.7399 4.7812 4.8044 4.8251 4.9890 4.9891 5.6730 5.6735 5.8766 5.9291 8.5717 8.5719 9.0431 9.1255 10.4048 10.5814 11.0867 11.1160 11.6180 11.6539 k = 0.2393-0.5989 0.6444 ( 3758 PWs) bands (ev): -16.6328 -16.6327 -13.1806 -13.1806 -11.5447 -11.5419 -11.2741 -11.2611 -11.0499 -11.0399 -4.3472 -4.3470 -3.3400 -3.3337 -3.0393 -3.0341 -0.4683 -0.4552 -0.2212 -0.2089 1.9418 2.0221 2.4050 2.4767 2.7316 2.7541 2.9527 3.1703 3.3337 3.4585 3.6071 3.6827 4.7625 4.7872 4.8090 4.8427 4.9880 4.9888 5.6784 5.6794 5.8711 5.9236 8.5727 8.5729 9.0506 9.1293 10.4391 10.5775 11.0985 11.1178 11.6029 11.6584 k = 0.2454-0.6143 0.6610 ( 3758 PWs) bands (ev): -16.6325 -16.6325 -13.1805 -13.1805 -11.5475 -11.5434 -11.2504 -11.2364 -11.0707 -11.0610 -4.3498 -4.3485 -3.3751 -3.3700 -2.9959 -2.9907 -0.4675 -0.4528 -0.2465 -0.2354 1.9857 2.0636 2.4202 2.5010 2.7121 2.7248 2.9294 3.1368 3.3308 3.4424 3.5888 3.6683 4.7822 4.7908 4.8168 4.8627 4.9877 4.9895 5.6831 5.6846 5.8648 5.9171 8.5735 8.5738 9.0586 9.1333 10.4688 10.5655 11.1097 11.1191 11.5893 11.6585 k = 0.2516-0.6296 0.6775 ( 3754 PWs) bands (ev): -16.6324 -16.6323 -13.1805 -13.1805 -11.5592 -11.5540 -11.2221 -11.2078 -11.0871 -11.0778 -4.3544 -4.3520 -3.4071 -3.4030 -2.9500 -2.9446 -0.4665 -0.4502 -0.2698 -0.2599 2.0295 2.1056 2.4264 2.5173 2.6967 2.6984 2.9068 3.1008 3.3346 3.4315 3.5736 3.6558 4.7931 4.7944 4.8321 4.8838 4.9882 4.9912 5.6869 5.6889 5.8581 5.9096 8.5743 8.5745 9.0669 9.1373 10.4939 10.5456 11.1195 11.1203 11.5771 11.6514 k = 0.2577-0.6450 0.6940 ( 3758 PWs) bands (ev): -16.6325 -16.6324 -13.1806 -13.1806 -11.5781 -11.5722 -11.1927 -11.1791 -11.0967 -11.0886 -4.3609 -4.3574 -3.4357 -3.4327 -2.9019 -2.8962 -0.4654 -0.4474 -0.2908 -0.2821 2.0728 2.1478 2.4224 2.5218 2.6791 2.6865 2.8840 3.0627 3.3444 3.4260 3.5619 3.6457 4.7945 4.7997 4.8542 4.9051 4.9896 4.9940 5.6898 5.6923 5.8508 5.9012 8.5749 8.5751 9.0755 9.1413 10.5144 10.5180 11.1213 11.1274 11.5664 11.6353 k = 0.2638-0.6603 0.7105 ( 3746 PWs) bands (ev): -16.6327 -16.6325 -13.1806 -13.1806 -11.6026 -11.5962 -11.1686 -11.1592 -11.0922 -11.0886 -4.3694 -4.3648 -3.4607 -3.4585 -2.8517 -2.8457 -0.4644 -0.4449 -0.3091 -0.3017 2.1150 2.1898 2.4087 2.5118 2.6705 2.6817 2.8606 3.0230 3.3593 3.4259 3.5539 3.6386 4.7953 4.8020 4.8788 4.9259 4.9917 4.9982 5.6919 5.6950 5.8433 5.8921 8.5754 8.5757 9.0842 9.1452 10.4832 10.5306 11.1218 11.1326 11.5573 11.6139 k = 0.2700-0.6757 0.7271 ( 3742 PWs) bands (ev): -16.6331 -16.6329 -13.1808 -13.1807 -11.6316 -11.6247 -11.1580 -11.1551 -11.0709 -11.0677 -4.3799 -4.3743 -3.4820 -3.4805 -2.7997 -2.7933 -0.4641 -0.4433 -0.3239 -0.3181 2.1554 2.2309 2.3875 2.4900 2.6707 2.6810 2.8362 2.9821 3.3785 3.4308 3.5502 3.6349 4.7956 4.8029 4.9041 4.9455 4.9946 5.0040 5.6931 5.6968 5.8356 5.8822 8.5758 8.5761 9.0930 9.1487 10.4421 10.5427 11.1212 11.1343 11.5500 11.5913 k = 0.2700-0.6757 0.7271 ( 3742 PWs) bands (ev): -16.6331 -16.6329 -13.1808 -13.1807 -11.6316 -11.6247 -11.1580 -11.1551 -11.0709 -11.0677 -4.3799 -4.3743 -3.4820 -3.4805 -2.7997 -2.7933 -0.4641 -0.4433 -0.3239 -0.3181 2.1554 2.2309 2.3875 2.4900 2.6707 2.6810 2.8362 2.9821 3.3785 3.4308 3.5502 3.6349 4.7956 4.8029 4.9041 4.9455 4.9946 5.0040 5.6931 5.6968 5.8356 5.8822 8.5758 8.5761 9.0930 9.1487 10.4421 10.5427 11.1212 11.1343 11.5500 11.5913 k = 0.2891-0.6632 0.7226 ( 3746 PWs) bands (ev): -16.6330 -16.6328 -13.1807 -13.1807 -11.6232 -11.6164 -11.1602 -11.1559 -11.0769 -11.0752 -4.3767 -4.3714 -3.4762 -3.4745 -2.8148 -2.8085 -0.4647 -0.4446 -0.3188 -0.3128 2.1445 2.2182 2.3945 2.4950 2.6717 2.6817 2.8425 2.9908 3.3745 3.4287 3.5530 3.6376 4.7921 4.7978 4.9009 4.9419 4.9938 5.0024 5.6928 5.6963 5.8382 5.8850 8.5757 8.5759 9.0907 9.1473 10.4536 10.5399 11.1212 11.1340 11.5521 11.5976 k = 0.3083-0.6507 0.7181 ( 3746 PWs) bands (ev): -16.6328 -16.6327 -13.1807 -13.1807 -11.6145 -11.6080 -11.1647 -11.1592 -11.0808 -11.0804 -4.3734 -4.3685 -3.4693 -3.4674 -2.8311 -2.8251 -0.4664 -0.4475 -0.3109 -0.3052 2.1334 2.2029 2.4016 2.4962 2.6761 2.6841 2.8475 2.9940 3.3735 3.4263 3.5612 3.6448 4.7817 4.7836 4.9044 4.9414 4.9932 5.0012 5.6922 5.6955 5.8418 5.8877 8.5756 8.5758 9.0888 9.1450 10.4642 10.5372 11.1207 11.1330 11.5549 11.6042 k = 0.3275-0.6382 0.7136 ( 3750 PWs) bands (ev): -16.6328 -16.6326 -13.1807 -13.1806 -11.6059 -11.5996 -11.1712 -11.1649 -11.0834 -11.0828 -4.3701 -4.3656 -3.4615 -3.4595 -2.8483 -2.8425 -0.4688 -0.4514 -0.3013 -0.2961 2.1225 2.1865 2.4081 2.4943 2.6832 2.6880 2.8510 2.9918 3.3748 3.4233 3.5747 3.6561 4.7633 4.7653 4.9120 4.9436 4.9927 5.0005 5.6914 5.6945 5.8462 5.8903 8.5754 8.5756 9.0872 9.1419 10.4738 10.5345 11.1198 11.1314 11.5585 11.6101 k = 0.3466-0.6257 0.7091 ( 3745 PWs) bands (ev): -16.6327 -16.6325 -13.1806 -13.1806 -11.5973 -11.5913 -11.1789 -11.1723 -11.0845 -11.0834 -4.3669 -4.3627 -3.4530 -3.4510 -2.8659 -2.8604 -0.4715 -0.4559 -0.2907 -0.2862 2.1123 2.1701 2.4136 2.4902 2.6922 2.6932 2.8532 2.9849 3.3771 3.4200 3.5934 3.6708 4.7398 4.7445 4.9212 4.9475 4.9925 5.0001 5.6905 5.6933 5.8512 5.8926 8.5752 8.5754 9.0861 9.1381 10.4824 10.5320 11.1186 11.1294 11.5626 11.6149 k = 0.3658-0.6132 0.7047 ( 3747 PWs) bands (ev): -16.6326 -16.6325 -13.1806 -13.1806 -11.5890 -11.5834 -11.1871 -11.1807 -11.0845 -11.0831 -4.3638 -4.3601 -3.4441 -3.4420 -2.8834 -2.8782 -0.4742 -0.4604 -0.2799 -0.2761 2.1032 2.1542 2.4182 2.4847 2.6993 2.7019 2.8544 2.9745 3.3798 3.4164 3.6164 3.6879 4.7149 4.7211 4.9307 4.9520 4.9924 4.9999 5.6895 5.6921 5.8566 5.8945 8.5750 8.5752 9.0855 9.1337 10.4900 10.5297 11.1172 11.1271 11.5673 11.6182 k = 0.3850-0.6008 0.7002 ( 3751 PWs) bands (ev): -16.6326 -16.6324 -13.1806 -13.1806 -11.5810 -11.5759 -11.1954 -11.1893 -11.0838 -11.0824 -4.3609 -4.3577 -3.4350 -3.4330 -2.9002 -2.8955 -0.4767 -0.4648 -0.2695 -0.2663 2.0952 2.1393 2.4221 2.4784 2.7060 2.7117 2.8549 2.9618 3.3822 3.4126 3.6422 3.7062 4.6899 4.6966 4.9396 4.9565 4.9926 5.0000 5.6886 5.6908 5.8622 5.8960 8.5748 8.5749 9.0855 9.1289 10.4966 10.5277 11.1157 11.1246 11.5725 11.6199 k = 0.4042-0.5883 0.6957 ( 3751 PWs) bands (ev): -16.6325 -16.6324 -13.1806 -13.1806 -11.5737 -11.5692 -11.2031 -11.1977 -11.0828 -11.0815 -4.3583 -4.3556 -3.4262 -3.4243 -2.9159 -2.9117 -0.4788 -0.4689 -0.2600 -0.2574 2.0888 2.1257 2.4255 2.4718 2.7129 2.7209 2.8556 2.9477 3.3842 3.4088 3.6692 3.7243 4.6662 4.6725 4.9476 4.9605 4.9930 5.0001 5.6877 5.6896 5.8678 5.8968 8.5746 8.5747 9.0862 9.1238 10.5021 10.5259 11.1144 11.1221 11.5780 11.6200 k = 0.4233-0.5758 0.6912 ( 3744 PWs) bands (ev): -16.6325 -16.6324 -13.1806 -13.1805 -11.5672 -11.5634 -11.2098 -11.2053 -11.0817 -11.0807 -4.3561 -4.3538 -3.4180 -3.4163 -2.9297 -2.9262 -0.4805 -0.4725 -0.2516 -0.2496 2.0839 2.1136 2.4287 2.4653 2.7196 2.7287 2.8570 2.9331 3.3861 3.4052 3.6955 3.7408 4.6447 4.6501 4.9545 4.9637 4.9936 5.0001 5.6869 5.6885 5.8733 5.8971 8.5745 8.5746 9.0875 9.1186 10.5068 10.5243 11.1133 11.1197 11.5836 11.6189 k = 0.4425-0.5633 0.6867 ( 3743 PWs) bands (ev): -16.6324 -16.6324 -13.1805 -13.1805 -11.5617 -11.5587 -11.2153 -11.2118 -11.0808 -11.0799 -4.3542 -4.3525 -3.4109 -3.4095 -2.9411 -2.9384 -0.4816 -0.4756 -0.2448 -0.2433 2.0809 2.1032 2.4319 2.4591 2.7259 2.7346 2.8599 2.9186 3.3878 3.4018 3.7196 3.7542 4.6265 4.6307 4.9600 4.9662 4.9945 5.0000 5.6863 5.6875 5.8784 5.8966 8.5743 8.5744 9.0895 9.1134 10.5107 10.5228 11.1125 11.1175 11.5893 11.6167 k = 0.4617-0.5508 0.6822 ( 3743 PWs) bands (ev): -16.6324 -16.6324 -13.1805 -13.1805 -11.5574 -11.5554 -11.2193 -11.2168 -11.0800 -11.0794 -4.3527 -4.3516 -3.4053 -3.4044 -2.9497 -2.9478 -0.4821 -0.4781 -0.2397 -0.2387 2.0797 2.0946 2.4353 2.4533 2.7314 2.7383 2.8647 2.9048 3.3895 3.3987 3.7398 3.7632 4.6128 4.6156 4.9641 4.9678 4.9955 4.9996 5.6859 5.6867 5.8831 5.8954 8.5742 8.5743 9.0921 9.1084 10.5138 10.5214 11.1122 11.1155 11.5949 11.6136 k = 0.4808-0.5383 0.6778 ( 3736 PWs) bands (ev): -16.6324 -16.6323 -13.1805 -13.1805 -11.5545 -11.5535 -11.2215 -11.2202 -11.0794 -11.0791 -4.3517 -4.3511 -3.4017 -3.4012 -2.9547 -2.9538 -0.4820 -0.4800 -0.2364 -0.2359 2.0805 2.0879 2.4391 2.4480 2.7358 2.7396 2.8717 2.8921 3.3914 3.3959 3.7549 3.7667 4.6044 4.6058 4.9668 4.9685 4.9968 4.9989 5.6857 5.6862 5.8873 5.8935 8.5742 8.5742 9.0954 9.1036 10.5163 10.5200 11.1123 11.1140 11.6002 11.6097 k = 0.5000-0.5258 0.6733 ( 3734 PWs) bands (ev): -16.6324 -16.6324 -13.1805 -13.1805 -11.5532 -11.5532 -11.2218 -11.2218 -11.0791 -11.0791 -4.3512 -4.3512 -3.4002 -3.4002 -2.9562 -2.9562 -0.4813 -0.4813 -0.2352 -0.2352 2.0832 2.0832 2.4433 2.4433 2.7386 2.7386 2.8810 2.8810 3.3935 3.3935 3.7640 3.7640 4.6020 4.6020 4.9682 4.9682 4.9979 4.9979 5.6858 5.6858 5.8907 5.8907 8.5742 8.5742 9.0993 9.0993 10.5183 10.5183 11.1129 11.1129 11.6052 11.6052 k = 0.5000-0.5258 0.6733 ( 3734 PWs) bands (ev): -16.6324 -16.6324 -13.1805 -13.1805 -11.5532 -11.5532 -11.2218 -11.2218 -11.0791 -11.0791 -4.3512 -4.3512 -3.4002 -3.4002 -2.9562 -2.9562 -0.4813 -0.4813 -0.2352 -0.2352 2.0832 2.0832 2.4433 2.4433 2.7386 2.7386 2.8810 2.8810 3.3935 3.3935 3.7640 3.7640 4.6020 4.6020 4.9682 4.9682 4.9979 4.9979 5.6858 5.6858 5.8907 5.8907 8.5742 8.5742 9.0993 9.0993 10.5183 10.5183 11.1129 11.1129 11.6052 11.6052 k = 0.4939-0.5106 0.6897 ( 3738 PWs) bands (ev): -16.6316 -16.6316 -13.1826 -13.1826 -11.5530 -11.5522 -11.2219 -11.2209 -11.0792 -11.0785 -4.3491 -4.3490 -3.4007 -3.4001 -2.9574 -2.9568 -0.4840 -0.4791 -0.2374 -0.2340 2.0655 2.0914 2.4298 2.4558 2.7187 2.7614 2.8306 2.9316 3.3795 3.4181 3.7485 3.7827 4.5949 4.6023 4.9184 4.9396 5.0227 5.0518 5.6818 5.6852 5.8872 5.8944 8.5692 8.5699 9.0904 9.1100 10.5023 10.5360 11.0942 11.1319 11.5777 11.6336 k = 0.4878-0.4953 0.7062 ( 3744 PWs) bands (ev): -16.6294 -16.6294 -13.1888 -13.1887 -11.5515 -11.5499 -11.2210 -11.2190 -11.0787 -11.0773 -4.3428 -4.3426 -3.4014 -3.4003 -2.9606 -2.9593 -0.4871 -0.4773 -0.2408 -0.2341 2.0404 2.0885 2.4165 2.4668 2.6983 2.7633 2.8095 2.9796 3.3779 3.4509 3.7356 3.8053 4.5793 4.5950 4.8718 4.8858 5.0734 5.1044 5.6735 5.6798 5.8841 5.8978 8.5549 8.5563 9.0836 9.1223 10.4877 10.5555 11.0758 11.1511 11.5510 11.6622 k = 0.4817-0.4800 0.7226 ( 3748 PWs) bands (ev): -16.6258 -16.6258 -13.1990 -13.1989 -11.5487 -11.5464 -11.2193 -11.2163 -11.0776 -11.0755 -4.3323 -4.3320 -3.4024 -3.4008 -2.9656 -2.9636 -0.4909 -0.4758 -0.2449 -0.2351 2.0101 2.0742 2.4039 2.4762 2.6678 2.7284 2.8422 3.0256 3.3886 3.4896 3.7249 3.8324 4.5526 4.5773 4.8332 4.8384 5.1217 5.1534 5.6612 5.6701 5.8814 5.9006 8.5316 8.5335 9.0788 9.1363 10.4745 10.5768 11.0576 11.1707 11.5255 11.6899 k = 0.4756-0.4648 0.7391 ( 3754 PWs) bands (ev): -16.6207 -16.6207 -13.2133 -13.2131 -11.5447 -11.5417 -11.2167 -11.2127 -11.0759 -11.0731 -4.3177 -4.3173 -3.4038 -3.4017 -2.9724 -2.9699 -0.4954 -0.4748 -0.2494 -0.2369 1.9762 2.0498 2.3918 2.4834 2.6229 2.7023 2.8861 3.0721 3.4083 3.5327 3.7166 3.8646 4.5126 4.5449 4.8012 4.8074 5.1664 5.1981 5.6456 5.6564 5.8789 5.9024 8.4993 8.5016 9.0762 9.1516 10.4622 10.5998 11.0398 11.1908 11.5012 11.7147 k = 0.4695-0.4495 0.7555 ( 3750 PWs) bands (ev): -16.6141 -16.6141 -13.2313 -13.2311 -11.5396 -11.5357 -11.2132 -11.2083 -11.0737 -11.0702 -4.2990 -4.2985 -3.4056 -3.4030 -2.9811 -2.9779 -0.5009 -0.4743 -0.2541 -0.2391 1.9401 2.0174 2.3790 2.4851 2.5760 2.6812 2.9356 3.1214 3.4324 3.5786 3.7119 3.9022 4.4601 4.4958 4.7794 4.7919 5.2067 5.2380 5.6271 5.6395 5.8764 5.9029 8.4583 8.4609 9.0757 9.1681 10.4507 10.6241 11.0227 11.2115 11.4782 11.7340 k = 0.4634-0.4343 0.7720 ( 3752 PWs) bands (ev): -16.6061 -16.6061 -13.2531 -13.2529 -11.5333 -11.5287 -11.2090 -11.2031 -11.0710 -11.0668 -4.2764 -4.2758 -3.4079 -3.4048 -2.9915 -2.9877 -0.5074 -0.4745 -0.2583 -0.2412 1.9027 1.9795 2.3641 2.4682 2.5461 2.6608 2.9893 3.1748 3.4562 3.6221 3.7153 3.9447 4.3985 4.4327 4.7695 4.7858 5.2420 5.2726 5.6062 5.6200 5.8738 5.9020 8.4089 8.4116 9.0775 9.1858 10.4395 10.6493 11.0064 11.2328 11.4570 11.7477 k = 0.4573-0.4190 0.7884 ( 3752 PWs) bands (ev): -16.5967 -16.5966 -13.2785 -13.2782 -11.5259 -11.5206 -11.2040 -11.1971 -11.0678 -11.0630 -4.2500 -4.2493 -3.4108 -3.4073 -3.0036 -2.9993 -0.5150 -0.4755 -0.2618 -0.2429 1.8648 1.9382 2.3460 2.4268 2.5415 2.6414 3.0460 3.2326 3.4768 3.6497 3.7397 3.9908 4.3321 4.3599 4.7680 4.7863 5.2718 5.3018 5.5833 5.5984 5.8709 5.8997 8.3513 8.3540 9.0814 9.2043 10.4285 10.6743 10.9916 11.2548 11.4381 11.7588 k = 0.4512-0.4037 0.8049 ( 3754 PWs) bands (ev): -16.5859 -16.5858 -13.3072 -13.3069 -11.5175 -11.5115 -11.1983 -11.1905 -11.0641 -11.0587 -4.2200 -4.2192 -3.4144 -3.4105 -3.0173 -3.0124 -0.5237 -0.4775 -0.2640 -0.2436 1.8268 1.8949 2.3233 2.3780 2.5466 2.6242 3.1045 3.2940 3.4927 3.6569 3.7879 4.0369 4.2670 4.2813 4.7719 4.7912 5.2958 5.3254 5.5589 5.5753 5.8679 5.8962 8.2860 8.2886 9.0874 9.2235 10.4173 10.6978 10.9791 11.2768 11.4224 11.7696 k = 0.4451-0.3885 0.8213 ( 3752 PWs) bands (ev): -16.5736 -16.5735 -13.3390 -13.3387 -11.5081 -11.5014 -11.1920 -11.1833 -11.0600 -11.0539 -4.1865 -4.1856 -3.4188 -3.4146 -3.0325 -3.0271 -0.5332 -0.4804 -0.2649 -0.2430 1.7894 1.8508 2.2939 2.3315 2.5537 2.6103 3.1632 3.3581 3.5034 3.6560 3.8445 4.0713 4.1997 4.2177 4.7792 4.7991 5.3138 5.3434 5.5333 5.5510 5.8647 5.8916 8.2134 8.2159 9.0953 9.2433 10.4058 10.7172 10.9708 11.2980 11.4117 11.7815 k = 0.4390-0.3732 0.8377 ( 3744 PWs) bands (ev): -16.5599 -16.5598 -13.3739 -13.3735 -11.4978 -11.4904 -11.1851 -11.1755 -11.0556 -11.0489 -4.1498 -4.1488 -3.4242 -3.4198 -3.0490 -3.0431 -0.5433 -0.4842 -0.2640 -0.2408 1.7527 1.8069 2.2554 2.2923 2.5604 2.6008 3.2202 3.4237 3.5089 3.6532 3.8958 4.0653 4.1218 4.2170 4.7888 4.8091 5.3256 5.3560 5.5068 5.5259 5.8615 5.8861 8.1340 8.1363 9.1051 9.2634 10.3938 10.7294 10.9692 11.3159 11.4086 11.7947 k = 0.4329-0.3579 0.8542 ( 3744 PWs) bands (ev): -16.5449 -16.5447 -13.4115 -13.4111 -11.4866 -11.4786 -11.1777 -11.1673 -11.0508 -11.0435 -4.1101 -4.1090 -3.4309 -3.4262 -3.0667 -3.0603 -0.5536 -0.4887 -0.2613 -0.2370 1.7171 1.7637 2.2114 2.2584 2.5651 2.5965 3.2721 3.4891 3.5089 3.6503 3.9164 4.0169 4.0824 4.2592 4.7999 4.8205 5.3313 5.3635 5.4798 5.5004 5.8582 5.8798 8.0481 8.0502 9.1165 9.2836 10.3813 10.7314 10.9766 11.3275 11.4163 11.8093 k = 0.4268-0.3427 0.8706 ( 3742 PWs) bands (ev): -16.5285 -16.5283 -13.4516 -13.4512 -11.4746 -11.4660 -11.1698 -11.1585 -11.0457 -11.0378 -4.0677 -4.0664 -3.4389 -3.4341 -3.0852 -3.0784 -0.5636 -0.4938 -0.2569 -0.2316 1.6828 1.7219 2.1670 2.2259 2.5674 2.5971 3.3138 3.5033 3.5515 3.6479 3.8885 3.9487 4.1129 4.3146 4.8119 4.8327 5.3313 5.3663 5.4526 5.4748 5.8548 5.8730 7.9564 7.9584 9.1294 9.3037 10.3681 10.7219 10.9937 11.3330 11.4350 11.8252 k = 0.4207-0.3274 0.8871 ( 3742 PWs) bands (ev): -16.5108 -16.5106 -13.4941 -13.4936 -11.4619 -11.4527 -11.1616 -11.1495 -11.0404 -11.0319 -4.0228 -4.0213 -3.4484 -3.4437 -3.1043 -3.0972 -0.5730 -0.4989 -0.2508 -0.2246 1.6500 1.6819 2.1244 2.1937 2.5686 2.6007 3.3370 3.4939 3.5972 3.6511 3.8428 3.8968 4.1703 4.3738 4.8246 4.8451 5.3259 5.3648 5.4251 5.4499 5.8512 5.8656 7.8594 7.8613 9.1436 9.3235 10.3541 10.7021 11.0188 11.3356 11.4611 11.8422 k = 0.4146-0.3122 0.9035 ( 3740 PWs) bands (ev): -16.4917 -16.4916 -13.5386 -13.5382 -11.4485 -11.4388 -11.1530 -11.1401 -11.0348 -11.0258 -3.9758 -3.9741 -3.4598 -3.4552 -3.1236 -3.1163 -0.5813 -0.5038 -0.2431 -0.2162 1.6187 1.6441 2.0843 2.1622 2.5700 2.6052 3.3320 3.4829 3.5880 3.6801 3.8086 3.8788 4.2340 4.4337 4.8375 4.8575 5.3160 5.3593 5.3979 5.4265 5.8472 5.8576 7.7576 7.7595 9.1588 9.3429 10.3393 10.6744 11.0492 11.3383 11.4915 11.8601 k = 0.4085-0.2969 0.9200 ( 3746 PWs) bands (ev): -16.4714 -16.4712 -13.5851 -13.5846 -11.4345 -11.4243 -11.1442 -11.1305 -11.0292 -11.0195 -3.9271 -3.9250 -3.4731 -3.4688 -3.1429 -3.1355 -0.5882 -0.5080 -0.2341 -0.2065 1.5891 1.6091 2.0470 2.1316 2.5722 2.6097 3.2964 3.4645 3.5458 3.6982 3.8137 3.8959 4.2984 4.4930 4.8505 4.8694 5.3024 5.3487 5.3729 5.4050 5.8425 5.8491 7.6517 7.6536 9.1749 9.3615 10.3236 10.6409 11.0828 11.3423 11.5244 11.8787 k = 0.4024-0.2816 0.9364 ( 3750 PWs) bands (ev): -16.4499 -16.4497 -13.6332 -13.6327 -11.4199 -11.4093 -11.1351 -11.1208 -11.0234 -11.0132 -3.8771 -3.8747 -3.4884 -3.4843 -3.1616 -3.1543 -0.5931 -0.5112 -0.2238 -0.1958 1.5609 1.5776 2.0128 2.1023 2.5751 2.6137 3.2375 3.4158 3.5130 3.6939 3.8554 3.9375 4.3612 4.5504 4.8636 4.8805 5.2866 5.3299 5.3541 5.3856 5.8366 5.8405 7.5423 7.5442 9.1916 9.3792 10.3068 10.6032 11.1177 11.3479 11.5590 11.8978 k = 0.3963-0.2664 0.9529 ( 3748 PWs) bands (ev): -16.4271 -16.4269 -13.6828 -13.6823 -11.4048 -11.3938 -11.1260 -11.1110 -11.0175 -11.0068 -3.8266 -3.8236 -3.5056 -3.5016 -3.1795 -3.1726 -0.5960 -0.5129 -0.2126 -0.1842 1.5340 1.5500 1.9815 2.0745 2.5788 2.6168 3.1637 3.3384 3.4970 3.6851 3.9104 3.9916 4.4208 4.6047 4.8769 4.8911 5.2701 5.3059 5.3402 5.3677 5.8281 5.8330 7.4300 7.4320 9.2087 9.3959 10.2886 10.5628 11.1526 11.3554 11.5948 11.9174 k = 0.3902-0.2511 0.9693 ( 3750 PWs) bands (ev): -16.4032 -16.4030 -13.7337 -13.7332 -11.3893 -11.3780 -11.1168 -11.1012 -11.0116 -11.0004 -3.7768 -3.7727 -3.5241 -3.5198 -3.1964 -3.1900 -0.5965 -0.5129 -0.2006 -0.1720 1.5085 1.5267 1.9533 2.0484 2.5829 2.6190 3.0808 3.2510 3.4846 3.6772 3.9699 4.0508 4.4759 4.6540 4.8911 4.9016 5.2543 5.2822 5.3269 5.3508 5.8179 5.8257 7.3155 7.3175 9.2259 9.4114 10.2687 10.5210 11.1865 11.3647 11.6315 11.9372 k = 0.3841-0.2359 0.9858 ( 3742 PWs) bands (ev): -16.3782 -16.3779 -13.7856 -13.7850 -11.3734 -11.3618 -11.1077 -11.0915 -11.0056 -10.9939 -3.7299 -3.7239 -3.5424 -3.5369 -3.2120 -3.2062 -0.5944 -0.5109 -0.1881 -0.1593 1.4854 1.5071 1.9280 2.0242 2.5872 2.6201 2.9925 3.1609 3.4718 3.6707 4.0305 4.1112 4.5249 4.6957 4.9070 4.9139 5.2406 5.2615 5.3130 5.3343 5.8070 5.8179 7.1995 7.2016 9.2429 9.4257 10.2465 10.4790 11.2184 11.3759 11.6688 11.9572 k = 0.3780-0.2206 1.0022 ( 3744 PWs) bands (ev): -16.3521 -16.3518 -13.8383 -13.8378 -11.3571 -11.3454 -11.0986 -11.0819 -10.9996 -10.9875 -3.6918 -3.6826 -3.5551 -3.5477 -3.2262 -3.2213 -0.5897 -0.5068 -0.1753 -0.1463 1.4651 1.4909 1.9055 2.0018 2.5917 2.6194 2.9011 3.0714 3.4577 3.6648 4.0903 4.1704 4.5668 4.7268 4.9253 4.9306 5.2296 5.2454 5.2979 5.3177 5.7961 5.8097 7.0827 7.0847 9.2593 9.4387 10.2215 10.4381 11.2474 11.3890 11.7066 11.9774 k = 0.3720-0.2053 1.0187 ( 3748 PWs) bands (ev): -16.3250 -16.3247 -13.8917 -13.8912 -11.3406 -11.3288 -11.0897 -11.0726 -10.9937 -10.9812 -3.6745 -3.6620 -3.5492 -3.5402 -3.2389 -3.2348 -0.5822 -0.5005 -0.1622 -0.1333 1.4480 1.4781 1.8858 1.9811 2.5958 2.6161 2.8083 2.9855 3.4420 3.6588 4.1477 4.2268 4.6011 4.7449 4.9470 4.9541 5.2221 5.2347 5.2816 5.3003 5.7854 5.8011 6.9658 6.9678 9.2749 9.4505 10.1929 10.3997 11.2731 11.4041 11.7447 11.9977 k = 0.3659-0.1901 1.0351 ( 3746 PWs) bands (ev): -16.2970 -16.2967 -13.9455 -13.9450 -11.3239 -11.3120 -11.0811 -11.0637 -10.9877 -10.9750 -3.6825 -3.6694 -3.5181 -3.5101 -3.2496 -3.2465 -0.5719 -0.4917 -0.1493 -0.1204 1.4345 1.4685 1.8685 1.9621 2.5969 2.6093 2.7157 2.9072 3.4248 3.6522 4.2012 4.2792 4.6282 4.7514 4.9725 4.9830 5.2183 5.2294 5.2640 5.2818 5.7755 5.7926 6.8496 6.8515 9.2891 9.4612 10.1604 10.3648 11.2953 11.4210 11.7830 12.0182 k = 0.3598-0.1748 1.0516 ( 3748 PWs) bands (ev): -16.2681 -16.2679 -13.9995 -13.9990 -11.3071 -11.2952 -11.0728 -11.0553 -10.9817 -10.9689 -3.7048 -3.6916 -3.4758 -3.4692 -3.2578 -3.2557 -0.5588 -0.4805 -0.1365 -0.1078 1.4245 1.4621 1.8534 1.9446 2.5765 2.6085 2.6280 2.8429 3.4058 3.6444 4.2494 4.3261 4.6500 4.7503 5.0003 5.0143 5.2183 5.2290 5.2457 5.2622 5.7670 5.7846 6.7348 6.7366 9.3015 9.4710 10.1239 10.3339 11.3142 11.4394 11.8212 12.0387 k = 0.3537-0.1596 1.0680 ( 3750 PWs) bands (ev): -16.2385 -16.2383 -14.0536 -14.0531 -11.2902 -11.2784 -11.0650 -11.0475 -10.9757 -10.9628 -3.7330 -3.7194 -3.4332 -3.4272 -3.2618 -3.2607 -0.5431 -0.4669 -0.1242 -0.0957 1.4181 1.4587 1.8402 1.9283 2.5139 2.5603 2.6141 2.8001 3.3850 3.6348 4.2910 4.3662 4.6688 4.7464 5.0277 5.0438 5.2153 5.2310 5.2332 5.2452 5.7603 5.7775 6.6224 6.6239 9.3117 9.4803 10.0841 10.3071 11.3303 11.4585 11.8591 12.0594 k = 0.3476-0.1443 1.0845 ( 3750 PWs) bands (ev): -16.2083 -16.2080 -14.1074 -14.1069 -11.2733 -11.2617 -11.0576 -11.0403 -10.9697 -10.9570 -3.7637 -3.7496 -3.3969 -3.3912 -3.2585 -3.2576 -0.5246 -0.4509 -0.1124 -0.0843 1.4152 1.4580 1.8286 1.9130 2.4270 2.5006 2.6204 2.7802 3.3623 3.6229 4.3251 4.3983 4.6861 4.7439 5.0504 5.0675 5.1988 5.2169 5.2404 5.2497 5.7558 5.7720 6.5129 6.5143 9.3192 9.4891 10.0421 10.2838 11.3445 11.4777 11.8964 12.0802 k = 0.3415-0.1290 1.1009 ( 3754 PWs) bands (ev): -16.1776 -16.1773 -14.1608 -14.1603 -11.2564 -11.2451 -11.0509 -11.0339 -10.9637 -10.9512 -3.7955 -3.7809 -3.3732 -3.3679 -3.2427 -3.2413 -0.5037 -0.4326 -0.1012 -0.0736 1.4157 1.4598 1.8182 1.8984 2.3384 2.4338 2.6284 2.7772 3.3376 3.6082 4.3514 4.4219 4.7023 4.7456 5.0629 5.0801 5.1823 5.2021 5.2555 5.2665 5.7536 5.7683 6.4072 6.4087 9.3237 9.4978 9.9991 10.2634 11.3573 11.4965 11.9329 12.1010 k = 0.3354-0.1138 1.1173 ( 3760 PWs) bands (ev): -16.1465 -16.1462 -14.2136 -14.2131 -11.2397 -11.2288 -11.0448 -11.0284 -10.9576 -10.9456 -3.8274 -3.8125 -3.3635 -3.3592 -3.2129 -3.2116 -0.4804 -0.4121 -0.0910 -0.0639 1.4192 1.4634 1.8083 1.8843 2.2515 2.3646 2.6384 2.7846 3.3109 3.5905 4.3708 4.4374 4.7159 4.7513 5.0603 5.0765 5.1741 5.1967 5.2758 5.2892 5.7536 5.7668 6.3060 6.3077 9.3252 9.5062 9.9562 10.2454 11.3692 11.5143 11.9681 12.1217 k = 0.3293-0.0985 1.1338 ( 3764 PWs) bands (ev): -16.1152 -16.1149 -14.2654 -14.2649 -11.2232 -11.2127 -11.0394 -11.0239 -10.9516 -10.9402 -3.8589 -3.8438 -3.3629 -3.3596 -3.1752 -3.1741 -0.4549 -0.3896 -0.0816 -0.0552 1.4255 1.4682 1.7980 1.8708 2.1676 2.2974 2.6508 2.7990 3.2824 3.5696 4.3846 4.4466 4.7248 4.7568 5.0455 5.0594 5.1757 5.2004 5.3004 5.3154 5.7556 5.7676 6.2102 6.2119 9.3236 9.5142 9.9146 10.2295 11.3806 11.5310 12.0019 12.1424 k = 0.3232-0.0832 1.1502 ( 3762 PWs) bands (ev): -16.0838 -16.0836 -14.3160 -14.3155 -11.2070 -11.1969 -11.0349 -11.0203 -10.9455 -10.9350 -3.8894 -3.8744 -3.3666 -3.3641 -3.1349 -3.1339 -0.4276 -0.3653 -0.0732 -0.0477 1.4339 1.4732 1.7857 1.8586 2.0878 2.2352 2.6659 2.8186 3.2523 3.5456 4.3943 4.4519 4.7256 4.7547 5.0279 5.0396 5.1827 5.2083 5.3276 5.3431 5.7588 5.7707 6.1207 6.1219 9.3194 9.5213 9.8752 10.2153 11.3917 11.5463 12.0339 12.1627 k = 0.3171-0.0680 1.1667 ( 3760 PWs) bands (ev): -16.0528 -16.0525 -14.3650 -14.3646 -11.1911 -11.1816 -11.0312 -11.0177 -10.9396 -10.9300 -3.9186 -3.9039 -3.3723 -3.3704 -3.0947 -3.0938 -0.3986 -0.3395 -0.0658 -0.0414 1.4437 1.4774 1.7691 1.8490 2.0134 2.1805 2.6838 2.8423 3.2211 3.5187 4.4010 4.4559 4.7133 4.7384 5.0155 5.0275 5.1916 5.2175 5.3557 5.3708 5.7623 5.7758 6.0377 6.0390 9.3129 9.5269 9.8391 10.2026 11.4026 11.5601 12.0638 12.1827 k = 0.3110-0.0527 1.1831 ( 3758 PWs) bands (ev): -16.0222 -16.0219 -14.4123 -14.4118 -11.1756 -11.1666 -11.0284 -11.0161 -10.9339 -10.9252 -3.9462 -3.9320 -3.3787 -3.3772 -3.0560 -3.0552 -0.3683 -0.3125 -0.0596 -0.0363 1.4535 1.4797 1.7460 1.8437 1.9458 2.1349 2.7044 2.8694 3.1895 3.4896 4.4056 4.4602 4.6847 4.7053 5.0124 5.0278 5.2009 5.2269 5.3833 5.3976 5.7636 5.7825 5.9601 5.9665 9.3047 9.5301 9.8074 10.1912 11.4132 11.5725 12.0915 12.2020 k = 0.3049-0.0375 1.1996 ( 3756 PWs) bands (ev): -15.9925 -15.9922 -14.4572 -14.4568 -11.1605 -11.1523 -11.0265 -11.0155 -10.9284 -10.9207 -3.9718 -3.9584 -3.3853 -3.3841 -3.0196 -3.0189 -0.3371 -0.2846 -0.0545 -0.0325 1.4607 1.4803 1.7163 1.8433 1.8867 2.0991 2.7274 2.8992 3.1584 3.4590 4.4086 4.4654 4.6416 4.6586 5.0190 5.0382 5.2103 5.2360 5.4094 5.4227 5.7575 5.7900 5.8892 5.9084 9.2952 9.5302 9.7809 10.1811 11.4235 11.5834 12.1168 12.2205 k = 0.2988-0.0222 1.2160 ( 3760 PWs) bands (ev): -15.9639 -15.9637 -14.4996 -14.4992 -11.1460 -11.1385 -11.0256 -11.0160 -10.9233 -10.9166 -3.9953 -3.9828 -3.3918 -3.3908 -2.9861 -2.9854 -0.3055 -0.2565 -0.0507 -0.0301 1.4594 1.4821 1.6824 1.8369 1.8477 2.0728 2.7522 2.9303 3.1292 3.4276 4.4102 4.4708 4.5890 4.6037 5.0327 5.0549 5.2194 5.2446 5.4334 5.4458 5.7358 5.7926 5.8304 5.8725 9.2852 9.5266 9.7604 10.1722 11.4334 11.5929 12.1396 12.2379 k = 0.2927-0.0069 1.2325 ( 3766 PWs) bands (ev): -15.9370 -15.9367 -14.5388 -14.5385 -11.1320 -11.1253 -11.0257 -11.0173 -10.9186 -10.9128 -4.0164 -4.0050 -3.3979 -3.3970 -2.9558 -2.9552 -0.2738 -0.2284 -0.0483 -0.0292 1.4485 1.4836 1.6488 1.7974 1.8558 2.0544 2.7779 2.9605 3.1046 3.3966 4.4096 4.4718 4.5356 4.5467 5.0505 5.0746 5.2281 5.2525 5.4548 5.4665 5.6975 5.7546 5.8186 5.8590 9.2750 9.5196 9.7458 10.1644 11.4428 11.6010 12.1598 12.2540 k = 0.2866 0.0083 1.2489 ( 3768 PWs) bands (ev): -15.9120 -15.9118 -14.5744 -14.5741 -11.1186 -11.1128 -11.0267 -11.0197 -10.9143 -10.9095 -4.0348 -4.0248 -3.4034 -3.4027 -2.9290 -2.9285 -0.2426 -0.2009 -0.0473 -0.0298 1.4313 1.4788 1.6217 1.7668 1.8671 2.0424 2.8033 2.9839 3.0907 3.3670 4.4024 4.4461 4.4932 4.5099 5.0701 5.0956 5.2363 5.2596 5.4733 5.4846 5.6527 5.7025 5.8270 5.8578 9.2651 9.5098 9.7366 10.1577 11.4514 11.6077 12.1773 12.2685 k = 0.2805 0.0236 1.2654 ( 3762 PWs) bands (ev): -15.8896 -15.8894 -14.6059 -14.6056 -11.1060 -11.1010 -11.0287 -11.0230 -10.9105 -10.9066 -4.0506 -4.0419 -3.4082 -3.4076 -2.9059 -2.9055 -0.2125 -0.1747 -0.0480 -0.0320 1.4108 1.4647 1.6056 1.7436 1.8806 2.0347 2.8271 2.9915 3.0965 3.3396 4.3776 4.3937 4.4621 4.5101 5.0903 5.1163 5.2437 5.2658 5.4887 5.5001 5.6090 5.6548 5.8368 5.8611 9.2561 9.4986 9.7314 10.1520 11.4591 11.6133 12.1921 12.2812 k = 0.2744 0.0388 1.2818 ( 3772 PWs) bands (ev): -15.8703 -15.8702 -14.6327 -14.6325 -11.0941 -11.0900 -11.0317 -11.0272 -10.9073 -10.9042 -4.0635 -4.0564 -3.4123 -3.4118 -2.8868 -2.8865 -0.1840 -0.1502 -0.0507 -0.0358 1.3897 1.4439 1.5995 1.7263 1.8950 2.0298 2.8475 2.9849 3.1200 3.3152 4.3359 4.3404 4.4521 4.5159 5.1100 5.1357 5.2502 5.2708 5.5004 5.5128 5.5700 5.6132 5.8461 5.8655 9.2481 9.4875 9.7290 10.1473 11.4657 11.6176 12.2043 12.2919 k = 0.2683 0.0541 1.2983 ( 3770 PWs) bands (ev): -15.8546 -15.8545 -14.6543 -14.6541 -11.0829 -11.0798 -11.0356 -11.0323 -10.9048 -10.9024 -4.0734 -4.0680 -3.4155 -3.4151 -2.8718 -2.8716 -0.1577 -0.1282 -0.0555 -0.0412 1.3704 1.4223 1.5989 1.7136 1.9090 2.0265 2.8634 2.9746 3.1503 3.2936 4.2934 4.2939 4.4504 4.5218 5.1282 5.1525 5.2556 5.2746 5.5064 5.5224 5.5395 5.5792 5.8544 5.8695 9.2416 9.4776 9.7282 10.1437 11.4711 11.6209 12.2137 12.3005 k = 0.2622 0.0694 1.3147 ( 3778 PWs) bands (ev): -15.8430 -15.8429 -14.6701 -14.6699 -11.0727 -11.0706 -11.0403 -11.0382 -10.9028 -10.9012 -4.0803 -4.0766 -3.4178 -3.4175 -2.8610 -2.8608 -0.1341 -0.1095 -0.0623 -0.0483 1.3552 1.4044 1.6004 1.7048 1.9209 2.0240 2.8740 2.9663 3.1809 3.2739 4.2577 4.2591 4.4509 4.5266 5.1437 5.1656 5.2598 5.2771 5.4998 5.5222 5.5316 5.5554 5.8609 5.8725 9.2368 9.4700 9.7282 10.1411 11.4750 11.6232 12.2205 12.3066 k = 0.2561 0.0846 1.3312 ( 3776 PWs) bands (ev): -15.8358 -15.8358 -14.6797 -14.6796 -11.0635 -11.0625 -11.0457 -11.0446 -10.9016 -10.9005 -4.0841 -4.0822 -3.4192 -3.4190 -2.8545 -2.8544 -0.1140 -0.0971 -0.0690 -0.0567 1.3454 1.3928 1.6019 1.6996 1.9290 2.0222 2.8798 2.9613 3.2087 3.2546 4.2348 4.2368 4.4517 4.5297 5.1545 5.1736 5.2627 5.2784 5.4873 5.5167 5.5358 5.5441 5.8653 5.8741 9.2339 9.4652 9.7284 10.1396 11.4775 11.6245 12.2245 12.3104 k = 0.2500 0.0999 1.3476 ( 3776 PWs) bands (ev): -15.8334 -15.8334 -14.6829 -14.6829 -11.0580 -11.0580 -11.0497 -11.0489 -10.9011 -10.9003 -4.0847 -4.0847 -3.4196 -3.4196 -2.8523 -2.8523 -0.0997 -0.0990 -0.0692 -0.0630 1.3420 1.3888 1.6025 1.6979 1.9320 2.0216 2.8815 2.9598 3.2305 3.2361 4.2269 4.2292 4.4520 4.5307 5.1585 5.1761 5.2637 5.2788 5.4823 5.5138 5.5378 5.5412 5.8668 5.8745 9.2329 9.4635 9.7285 10.1391 11.4783 11.6250 12.2259 12.3117 k = 0.0399-0.0999 1.3476 ( 3768 PWs) bands (ev): -15.8589 -15.8588 -14.6499 -14.6495 -11.1020 -11.0987 -11.0313 -11.0276 -10.9044 -10.8992 -4.0589 -4.0517 -3.4002 -3.3997 -2.8806 -2.8699 -0.2081 -0.1884 -0.0011 0.0044 1.3350 1.4120 1.6516 1.6850 2.0812 2.1915 2.7375 2.8508 3.0391 3.2055 4.2905 4.2944 4.7202 4.7252 5.1067 5.1396 5.3141 5.3213 5.3809 5.3987 5.5348 5.5711 5.7854 5.8073 9.3398 9.4413 9.8722 9.9589 11.4768 11.6246 12.2041 12.2143 k = 0.0460-0.1150 1.3313 ( 3759 PWs) bands (ev): -15.8755 -15.8753 -14.6271 -14.6266 -11.1155 -11.1114 -11.0268 -11.0225 -10.9049 -10.8995 -4.0493 -4.0410 -3.3942 -3.3939 -2.8978 -2.8872 -0.2364 -0.2137 0.0083 0.0130 1.3450 1.4265 1.6612 1.7103 2.0665 2.1908 2.6970 2.8113 3.0733 3.2534 4.3291 4.3340 4.7125 4.7198 5.0717 5.1103 5.3027 5.3119 5.4084 5.4231 5.5462 5.5957 5.7809 5.8071 9.3398 9.4538 9.8685 9.9722 11.4653 11.6300 12.1934 12.2038 k = 0.0520-0.1302 1.3149 ( 3763 PWs) bands (ev): -15.8955 -15.8953 -14.5992 -14.5987 -11.1298 -11.1250 -11.0231 -11.0183 -10.9060 -10.9003 -4.0373 -4.0279 -3.3873 -3.3870 -2.9188 -2.9084 -0.2658 -0.2401 0.0144 0.0194 1.3551 1.4381 1.6779 1.7403 2.0550 2.1895 2.6569 2.7729 3.1100 3.3025 4.3728 4.3791 4.6975 4.7123 5.0411 5.0831 5.2898 5.2999 5.4246 5.4378 5.5719 5.6326 5.7763 5.8080 9.3397 9.4664 9.8675 9.9873 11.4532 11.6343 12.1802 12.1902 k = 0.0581-0.1453 1.2986 ( 3761 PWs) bands (ev): -15.9185 -15.9182 -14.5668 -14.5663 -11.1449 -11.1394 -11.0203 -11.0149 -10.9075 -10.9016 -4.0228 -4.0123 -3.3797 -3.3789 -2.9435 -2.9334 -0.2960 -0.2672 0.0177 0.0234 1.3642 1.4449 1.7024 1.7755 2.0482 2.1880 2.6178 2.7364 3.1497 3.3527 4.4185 4.4267 4.6773 4.6990 5.0177 5.0605 5.2759 5.2879 5.4269 5.4406 5.6125 5.6801 5.7721 5.8120 9.3394 9.4787 9.8695 10.0043 11.4408 11.6373 12.1645 12.1736 k = 0.0641-0.1605 1.2823 ( 3762 PWs) bands (ev): -15.9437 -15.9435 -14.5305 -14.5300 -11.1608 -11.1546 -11.0183 -11.0124 -10.9096 -10.9034 -4.0060 -3.9947 -3.3712 -3.3698 -2.9716 -2.9618 -0.3266 -0.2947 0.0185 0.0252 1.3715 1.4463 1.7332 1.8159 2.0478 2.1869 2.5808 2.7027 3.1921 3.4038 4.4620 4.4734 4.6525 4.6791 5.0038 5.0447 5.2617 5.2759 5.4206 5.4337 5.6589 5.7343 5.7698 5.8232 9.3387 9.4903 9.8746 10.0232 11.4280 11.6389 12.1465 12.1544 k = 0.0702-0.1757 1.2660 ( 3761 PWs) bands (ev): -15.9710 -15.9707 -14.4907 -14.4902 -11.1773 -11.1704 -11.0170 -11.0107 -10.9121 -10.9057 -3.9871 -3.9750 -3.3621 -3.3599 -3.0028 -2.9935 -0.3573 -0.3221 0.0171 0.0248 1.3767 1.4432 1.7667 1.8616 2.0560 2.1866 2.5466 2.6727 3.2370 3.4554 4.4982 4.5156 4.6253 4.6530 5.0007 5.0370 5.2475 5.2637 5.4085 5.4206 5.6992 5.7613 5.8015 5.8499 9.3373 9.5008 9.8829 10.0441 11.4150 11.6390 12.1257 12.1335 k = 0.0762-0.1908 1.2496 ( 3767 PWs) bands (ev): -15.9996 -15.9993 -14.4480 -14.4475 -11.1944 -11.1869 -11.0165 -11.0097 -10.9152 -10.9086 -3.9663 -3.9537 -3.3525 -3.3493 -3.0367 -3.0281 -0.3875 -0.3491 0.0137 0.0222 1.3799 1.4369 1.7981 1.9126 2.0753 2.1876 2.5163 2.6473 3.2838 3.5071 4.5174 4.5488 4.6023 4.6238 5.0083 5.0384 5.2336 5.2513 5.3924 5.4035 5.7243 5.7608 5.8674 5.8991 9.3352 9.5100 9.8944 10.0670 11.4018 11.6374 12.1015 12.1123 k = 0.0823-0.2060 1.2333 ( 3769 PWs) bands (ev): -16.0294 -16.0291 -14.4028 -14.4023 -11.2120 -11.2039 -11.0167 -11.0096 -10.9187 -10.9120 -3.9439 -3.9310 -3.3428 -3.3383 -3.0727 -3.0650 -0.4170 -0.3755 0.0083 0.0176 1.3814 1.4288 1.8236 1.9680 2.1069 2.1903 2.4909 2.6275 3.3318 3.5580 4.5057 4.5573 4.5948 4.6081 5.0254 5.0487 5.2201 5.2389 5.3734 5.3835 5.7367 5.7606 5.9414 5.9665 9.3321 9.5175 9.9091 10.0918 11.3886 11.6338 12.0739 12.0914 k = 0.0883-0.2211 1.2170 ( 3765 PWs) bands (ev): -16.0599 -16.0595 -14.3555 -14.3550 -11.2300 -11.2214 -11.0177 -11.0102 -10.9227 -10.9159 -3.9201 -3.9071 -3.3338 -3.3275 -3.1097 -3.1034 -0.4455 -0.4008 0.0012 0.0110 1.3819 1.4202 1.8422 2.0255 2.1498 2.1956 2.4716 2.6146 3.3803 3.6076 4.4710 4.5259 4.6031 4.6140 5.0490 5.0667 5.2071 5.2264 5.3525 5.3615 5.7431 5.7618 6.0228 6.0448 9.3281 9.5232 9.9268 10.1187 11.3754 11.6279 12.0435 12.0710 k = 0.0944-0.2363 1.2006 ( 3761 PWs) bands (ev): -16.0908 -16.0905 -14.3064 -14.3059 -11.2483 -11.2393 -11.0192 -11.0115 -10.9272 -10.9203 -3.8953 -3.8825 -3.3269 -3.3181 -3.1460 -3.1418 -0.4725 -0.4249 -0.0075 0.0026 1.3821 1.4121 1.8553 2.0810 2.1889 2.2171 2.4594 2.6103 3.4283 3.6548 4.4273 4.4826 4.6091 4.6207 5.0754 5.0899 5.1945 5.2140 5.3312 5.3389 5.7475 5.7646 6.1110 6.1307 9.3231 9.5268 9.9474 10.1473 11.3622 11.6195 12.0106 12.0516 k = 0.1005-0.2514 1.1843 ( 3759 PWs) bands (ev): -16.1219 -16.1216 -14.2559 -14.2554 -11.2669 -11.2575 -11.0214 -11.0135 -10.9321 -10.9251 -3.8700 -3.8576 -3.3255 -3.3130 -3.1780 -3.1769 -0.4979 -0.4474 -0.0179 -0.0075 1.3827 1.4055 1.8648 2.1296 2.2005 2.2768 2.4553 2.6172 3.4750 3.6987 4.3795 4.4357 4.6094 4.6233 5.0995 5.1150 5.1824 5.2017 5.3111 5.3179 5.7518 5.7692 6.2052 6.2228 9.3172 9.5282 9.9705 10.1775 11.3491 11.6083 11.9754 12.0336 k = 0.1065-0.2666 1.1680 ( 3752 PWs) bands (ev): -16.1529 -16.1526 -14.2043 -14.2037 -11.2857 -11.2760 -11.0242 -11.0161 -10.9374 -10.9304 -3.8445 -3.8327 -3.3353 -3.3189 -3.2017 -3.1994 -0.5214 -0.4681 -0.0298 -0.0193 1.3844 1.4011 1.8725 2.1672 2.2086 2.3484 2.4592 2.6383 3.5194 3.7381 4.3291 4.3868 4.6048 4.6224 5.1130 5.1347 5.1752 5.1923 5.2942 5.3015 5.7568 5.7754 6.3046 6.3204 9.3104 9.5273 9.9960 10.2092 11.3362 11.5940 11.9383 12.0175 k = 0.1126-0.2817 1.1516 ( 3754 PWs) bands (ev): -16.1838 -16.1835 -14.1517 -14.1512 -11.3046 -11.2946 -11.0276 -11.0193 -10.9431 -10.9361 -3.8196 -3.8086 -3.3600 -3.3421 -3.2094 -3.2059 -0.5427 -0.4867 -0.0431 -0.0326 1.3878 1.3994 1.8797 2.1927 2.2177 2.4214 2.4734 2.6758 3.5605 3.7718 4.2770 4.3366 4.5963 4.6196 5.1054 5.1332 5.1826 5.1945 5.2832 5.2926 5.7630 5.7828 6.4087 6.4230 9.3028 9.5240 10.0234 10.2419 11.3233 11.5767 11.8995 12.0036 k = 0.1186-0.2969 1.1353 ( 3754 PWs) bands (ev): -16.2142 -16.2139 -14.0986 -14.0980 -11.3236 -11.3133 -11.0315 -11.0231 -10.9491 -10.9420 -3.7959 -3.7859 -3.3960 -3.3787 -3.2034 -3.2004 -0.5616 -0.5032 -0.0577 -0.0474 1.3932 1.4011 1.8874 2.2082 2.2286 2.4608 2.5283 2.7293 3.5971 3.7988 4.2235 4.2855 4.5849 4.6167 5.0807 5.1111 5.1971 5.2080 5.2798 5.2919 5.7704 5.7914 6.5168 6.5297 9.2944 9.5184 10.0524 10.2755 11.3104 11.5564 11.8591 11.9920 k = 0.1247-0.3120 1.1190 ( 3750 PWs) bands (ev): -16.2442 -16.2438 -14.0451 -14.0445 -11.3425 -11.3321 -11.0359 -11.0275 -10.9553 -10.9483 -3.7744 -3.7656 -3.4372 -3.4208 -3.1904 -3.1878 -0.5780 -0.5173 -0.0736 -0.0634 1.4008 1.4067 1.8962 2.2183 2.2402 2.4742 2.6133 2.7960 3.6280 3.8182 4.1688 4.2338 4.5715 4.6148 5.0476 5.0787 5.2102 5.2237 5.2831 5.2989 5.7789 5.8006 6.6282 6.6399 9.2855 9.5106 10.0825 10.3096 11.2975 11.5334 11.8176 11.9826 k = 0.1307-0.3272 1.1027 ( 3758 PWs) bands (ev): -16.2734 -16.2731 -13.9914 -13.9908 -11.3614 -11.3508 -11.0407 -11.0323 -10.9619 -10.9549 -3.7568 -3.7494 -3.4791 -3.4636 -3.1740 -3.1712 -0.5917 -0.5289 -0.0905 -0.0805 1.4107 1.4166 1.9066 2.2270 2.2514 2.4845 2.7044 2.8726 3.6522 3.8294 4.1131 4.1817 4.5565 4.6147 5.0102 5.0407 5.2220 5.2383 5.2914 5.3107 5.7883 5.8100 6.7421 6.7528 9.2760 9.5005 10.1135 10.3438 11.2843 11.5081 11.7751 11.9750 k = 0.1368-0.3423 1.0863 ( 3760 PWs) bands (ev): -16.3020 -16.3017 -13.9377 -13.9372 -11.3801 -11.3695 -11.0460 -11.0375 -10.9686 -10.9616 -3.7457 -3.7400 -3.5175 -3.5029 -3.1553 -3.1520 -0.6027 -0.5380 -0.1082 -0.0985 1.4236 1.4305 1.9190 2.2362 2.2622 2.4942 2.7979 2.9561 3.6685 3.8327 4.0565 4.1296 4.5400 4.6165 4.9711 4.9994 5.2339 5.2523 5.3029 5.3246 5.7981 5.8192 6.8578 6.8676 9.2662 9.4883 10.1449 10.3779 11.2708 11.4813 11.7320 11.9689 k = 0.1428-0.3575 1.0700 ( 3758 PWs) bands (ev): -16.3297 -16.3293 -13.8843 -13.8838 -11.3986 -11.3879 -11.0516 -11.0432 -10.9754 -10.9685 -3.7452 -3.7418 -3.5471 -3.5341 -3.1350 -3.1312 -0.6107 -0.5445 -0.1267 -0.1172 1.4399 1.4480 1.9338 2.2470 2.2728 2.5038 2.8927 3.0445 3.6762 3.8287 3.9993 4.0777 4.5214 4.6194 4.9323 4.9565 5.2465 5.2669 5.3160 5.3392 5.8080 5.8278 6.9746 6.9837 9.2560 9.4741 10.1763 10.4114 11.2566 11.4536 11.6886 11.9635 k = 0.1489-0.3726 1.0537 ( 3762 PWs) bands (ev): -16.3564 -16.3561 -13.8314 -13.8309 -11.4168 -11.4062 -11.0576 -11.0492 -10.9823 -10.9755 -3.7595 -3.7585 -3.5634 -3.5530 -3.1135 -3.1093 -0.6158 -0.5484 -0.1456 -0.1363 1.4598 1.4690 1.9511 2.2596 2.2835 2.5133 2.9877 3.1363 3.6747 3.8183 3.9415 4.0263 4.4998 4.6214 4.8957 4.9140 5.2600 5.2826 5.3300 5.3540 5.8175 5.8355 7.0918 7.1001 9.2456 9.4581 10.2074 10.4439 11.2417 11.4257 11.6453 11.9581 k = 0.1549-0.3878 1.0373 ( 3752 PWs) bands (ev): -16.3822 -16.3819 -13.7791 -13.7786 -11.4346 -11.4241 -11.0638 -11.0555 -10.9893 -10.9826 -3.7899 -3.7877 -3.5670 -3.5592 -3.0909 -3.0866 -0.6180 -0.5498 -0.1648 -0.1557 1.4833 1.4934 1.9710 2.2739 2.2948 2.5227 3.0816 3.2303 3.6648 3.8025 3.8836 3.9759 4.4738 4.6196 4.8633 4.8747 5.2743 5.2996 5.3445 5.3690 5.8264 5.8420 7.2087 7.2164 9.2351 9.4406 10.2376 10.4752 11.2258 11.3986 11.6025 11.9522 k = 0.1610-0.4029 1.0210 ( 3756 PWs) bands (ev): -16.4069 -16.4066 -13.7277 -13.7272 -11.4521 -11.4416 -11.0703 -11.0622 -10.9962 -10.9896 -3.8301 -3.8263 -3.5626 -3.5570 -3.0676 -3.0634 -0.6173 -0.5487 -0.1840 -0.1751 1.5102 1.5211 1.9937 2.2886 2.3081 2.5319 3.1722 3.3254 3.6484 3.7813 3.8269 3.9273 4.4418 4.6098 4.8365 4.8421 5.2889 5.3175 5.3594 5.3847 5.8344 5.8472 7.3245 7.3316 9.2246 9.4217 10.2667 10.5046 11.2087 11.3732 11.5605 11.9451 k = 0.1670-0.4181 1.0047 ( 3756 PWs) bands (ev): -16.4305 -16.4302 -13.6773 -13.6768 -11.4690 -11.4587 -11.0770 -11.0690 -11.0031 -10.9966 -3.8751 -3.8702 -3.5545 -3.5505 -3.0439 -3.0399 -0.6139 -0.5453 -0.2031 -0.1943 1.5404 1.5520 2.0190 2.3014 2.3258 2.5406 3.2555 3.4198 3.6304 3.7499 3.7769 3.8815 4.4029 4.5882 4.8162 4.8195 5.3035 5.3356 5.3751 5.4013 5.8411 5.8510 7.4387 7.4452 9.2140 9.4017 10.2944 10.5319 11.1905 11.3502 11.5196 11.9361 k = 0.1731-0.4332 0.9883 ( 3755 PWs) bands (ev): -16.4530 -16.4527 -13.6282 -13.6277 -11.4855 -11.4754 -11.0838 -11.0760 -11.0099 -11.0035 -3.9220 -3.9165 -3.5450 -3.5423 -3.0201 -3.0165 -0.6077 -0.5397 -0.2218 -0.2131 1.5735 1.5861 2.0470 2.3120 2.3481 2.5489 3.3225 3.5093 3.6204 3.7033 3.7414 3.8408 4.3573 4.5540 4.8024 4.8071 5.3176 5.3527 5.3917 5.4191 5.8466 5.8537 7.5505 7.5565 9.2035 9.3808 10.3202 10.5564 11.1713 11.3304 11.4805 11.9249 k = 0.1792-0.4484 0.9720 ( 3751 PWs) bands (ev): -16.4743 -16.4740 -13.5806 -13.5801 -11.5013 -11.4914 -11.0906 -11.0831 -11.0165 -11.0102 -3.9691 -3.9633 -3.5355 -3.5338 -2.9965 -2.9933 -0.5992 -0.5322 -0.2399 -0.2312 1.6092 1.6232 2.0775 2.3212 2.3739 2.5565 3.3580 3.5728 3.6302 3.6703 3.7121 3.8104 4.3055 4.5098 4.7938 4.8026 5.3304 5.3679 5.4095 5.4384 5.8503 5.8557 7.6593 7.6648 9.1931 9.3593 10.3440 10.5777 11.1517 11.3143 11.4434 11.9114 k = 0.1852-0.4636 0.9557 ( 3748 PWs) bands (ev): -16.4943 -16.4940 -13.5346 -13.5342 -11.5165 -11.5069 -11.0975 -11.0902 -11.0228 -11.0167 -4.0156 -4.0097 -3.5266 -3.5256 -2.9732 -2.9707 -0.5884 -0.5231 -0.2573 -0.2484 1.6472 1.6633 2.1104 2.3299 2.4025 2.5635 3.3549 3.5558 3.6413 3.6793 3.7223 3.8097 4.2491 4.4594 4.7892 4.8026 5.3413 5.3801 5.4287 5.4591 5.8518 5.8579 7.7646 7.7697 9.1830 9.3376 10.3653 10.5952 11.1325 11.3017 11.4093 11.8954 k = 0.1913-0.4787 0.9394 ( 3750 PWs) bands (ev): -16.5131 -16.5128 -13.4905 -13.4901 -11.5311 -11.5216 -11.1044 -11.0973 -11.0289 -11.0230 -4.0607 -4.0547 -3.5186 -3.5181 -2.9508 -2.9488 -0.5758 -0.5128 -0.2736 -0.2645 1.6871 1.7061 2.1452 2.3382 2.4329 2.5699 3.3256 3.5031 3.6147 3.6780 3.7778 3.8673 4.1898 4.4063 4.7871 4.8045 5.3492 5.3886 5.4492 5.4808 5.8516 5.8604 7.8657 7.8704 9.1731 9.3158 10.3841 10.6085 11.1146 11.2918 11.3793 11.8771 k = 0.1973-0.4939 0.9230 ( 3752 PWs) bands (ev): -16.5306 -16.5303 -13.4486 -13.4481 -11.5448 -11.5357 -11.1111 -11.1043 -11.0348 -11.0291 -4.1041 -4.0980 -3.5115 -3.5114 -2.9294 -2.9277 -0.5617 -0.5017 -0.2887 -0.2792 1.7286 1.7513 2.1818 2.3465 2.4645 2.5760 3.2832 3.4457 3.5757 3.6588 3.8449 3.9536 4.1300 4.3539 4.7868 4.8070 5.3533 5.3927 5.4708 5.5034 5.8505 5.8629 7.9622 7.9664 9.1635 9.2942 10.4000 10.6172 11.0991 11.2825 11.3559 11.8568 k = 0.2034-0.5090 0.9067 ( 3751 PWs) bands (ev): -16.5468 -16.5465 -13.4089 -13.4085 -11.5578 -11.5489 -11.1176 -11.1112 -11.0402 -11.0348 -4.1451 -4.1391 -3.5056 -3.5053 -2.9094 -2.9076 -0.5467 -0.4903 -0.3025 -0.2923 1.7715 1.7986 2.2196 2.3549 2.4961 2.5825 3.2346 3.3875 3.5354 3.6338 3.9042 4.0453 4.0765 4.3081 4.7873 4.8093 5.3526 5.3918 5.4933 5.5264 5.8491 5.8654 8.0533 8.0571 9.1542 9.2733 10.4131 10.6213 11.0869 11.2701 11.3428 11.8348 k = 0.2094-0.5242 0.8904 ( 3753 PWs) bands (ev): -16.5616 -16.5613 -13.3717 -13.3714 -11.5699 -11.5613 -11.1238 -11.1178 -11.0454 -11.0401 -4.1836 -4.1777 -3.5006 -3.5000 -2.8909 -2.8886 -0.5313 -0.4791 -0.3145 -0.3034 1.8153 1.8475 2.2578 2.3636 2.5254 2.5913 3.1832 3.3298 3.4964 3.6080 3.9230 4.0430 4.1401 4.2814 4.7883 4.8110 5.3462 5.3853 5.5166 5.5495 5.8478 5.8680 8.1387 8.1421 9.1454 9.2533 10.4233 10.6209 11.0785 11.2531 11.3416 11.8115 k = 0.2155-0.5393 0.8740 ( 3759 PWs) bands (ev): -16.5751 -16.5748 -13.3373 -13.3370 -11.5811 -11.5727 -11.1298 -11.1241 -11.0501 -11.0451 -4.2193 -4.2134 -3.4964 -3.4956 -2.8740 -2.8711 -0.5163 -0.4688 -0.3246 -0.3122 1.8597 1.8976 2.2957 2.3725 2.5486 2.6056 3.1310 3.2734 3.4601 3.5829 3.8863 4.0288 4.2315 4.2937 4.7895 4.8121 5.3337 5.3726 5.5402 5.5724 5.8466 5.8706 8.2177 8.2207 9.1370 9.2344 10.4310 10.6165 11.0742 11.2338 11.3495 11.7873 k = 0.2215-0.5545 0.8577 ( 3755 PWs) bands (ev): -16.5872 -16.5869 -13.3058 -13.3055 -11.5913 -11.5832 -11.1353 -11.1301 -11.0543 -11.0496 -4.2518 -4.2460 -3.4929 -3.4919 -2.8586 -2.8551 -0.5022 -0.4600 -0.3323 -0.3184 1.9042 1.9482 2.3318 2.3817 2.5638 2.6271 3.0793 3.2189 3.4278 3.5596 3.8288 3.9962 4.3180 4.3490 4.7906 4.8125 5.3146 5.3535 5.5640 5.5947 5.8457 5.8733 8.2899 8.2926 9.1291 9.2169 10.4363 10.6088 11.0739 11.2146 11.3637 11.7626 k = 0.2276-0.5696 0.8414 ( 3749 PWs) bands (ev): -16.5979 -16.5976 -13.2774 -13.2772 -11.6004 -11.5926 -11.1403 -11.1355 -11.0582 -11.0537 -4.2811 -4.2753 -3.4900 -3.4889 -2.8450 -2.8408 -0.4900 -0.4530 -0.3375 -0.3221 1.9483 1.9986 2.3648 2.3907 2.5752 2.6519 3.0292 3.1672 3.4006 3.5386 3.7674 3.9480 4.3986 4.4288 4.7917 4.8124 5.2889 5.3280 5.5873 5.6160 5.8449 5.8759 8.3549 8.3572 9.1217 9.2011 10.4396 10.5989 11.0770 11.1969 11.3824 11.7378 k = 0.2336-0.5848 0.8250 ( 3745 PWs) bands (ev): -16.6072 -16.6069 -13.2524 -13.2522 -11.6085 -11.6009 -11.1449 -11.1404 -11.0615 -11.0573 -4.3068 -4.3011 -3.4876 -3.4864 -2.8330 -2.8283 -0.4803 -0.4481 -0.3398 -0.3233 1.9913 2.0480 2.3932 2.3987 2.5874 2.6747 2.9820 3.1194 3.3795 3.5204 3.7070 3.8934 4.4790 4.5145 4.7927 4.8119 5.2568 5.2961 5.6099 5.6359 5.8439 5.8781 8.4121 8.4141 9.1149 9.1872 10.4415 10.5877 11.0828 11.1811 11.4046 11.7134 k = 0.2397-0.5999 0.8087 ( 3741 PWs) bands (ev): -16.6151 -16.6148 -13.2309 -13.2307 -11.6155 -11.6081 -11.1488 -11.1447 -11.0643 -11.0604 -4.3288 -4.3232 -3.4858 -3.4845 -2.8229 -2.8176 -0.4732 -0.4451 -0.3394 -0.3228 2.0324 2.0951 2.4030 2.4179 2.6028 2.6923 2.9389 3.0769 3.3654 3.5054 3.6504 3.8372 4.5595 4.5994 4.7935 4.8112 5.2184 5.2581 5.6310 5.6540 5.8427 5.8799 8.4613 8.4629 9.1088 9.1754 10.4423 10.5762 11.0904 11.1676 11.4293 11.6897 k = 0.2458-0.6151 0.7924 ( 3736 PWs) bands (ev): -16.6215 -16.6213 -13.2131 -13.2129 -11.6212 -11.6140 -11.1521 -11.1484 -11.0667 -11.0630 -4.3470 -4.3414 -3.4843 -3.4829 -2.8145 -2.8089 -0.4687 -0.4436 -0.3368 -0.3212 2.0704 2.1385 2.4036 2.4387 2.6209 2.7020 2.9017 3.0414 3.3584 3.4930 3.6007 3.7822 4.6388 4.6820 4.7943 4.8106 5.1742 5.2142 5.6503 5.6696 5.8411 5.8811 8.5021 8.5033 9.1034 9.1657 10.4425 10.5654 11.0987 11.1564 11.4558 11.6669 k = 0.2518-0.6302 0.7761 ( 3746 PWs) bands (ev): -16.6266 -16.6264 -13.1990 -13.1989 -11.6257 -11.6187 -11.1546 -11.1513 -11.0685 -11.0650 -4.3613 -4.3558 -3.4833 -3.4819 -2.8081 -2.8021 -0.4661 -0.4431 -0.3329 -0.3196 2.1040 2.1761 2.4001 2.4574 2.6391 2.7029 2.8720 3.0142 3.3584 3.4802 3.5635 3.7304 4.7151 4.7610 4.7951 4.8110 5.1249 5.1649 5.6669 5.6821 5.8393 5.8818 8.5341 8.5350 9.0990 9.1582 10.4424 10.5560 11.1069 11.1474 11.4833 11.6451 k = 0.2579-0.6454 0.7597 ( 3748 PWs) bands (ev): -16.6302 -16.6300 -13.1889 -13.1888 -11.6290 -11.6220 -11.1565 -11.1534 -11.0698 -11.0665 -4.3716 -4.3661 -3.4826 -3.4811 -2.8034 -2.7972 -0.4648 -0.4431 -0.3287 -0.3184 2.1310 2.2055 2.3945 2.4737 2.6543 2.6966 2.8514 2.9958 3.3641 3.4619 3.5463 3.6847 4.7815 4.7962 4.8145 4.8392 5.0714 5.1107 5.6802 5.6910 5.8375 5.8821 8.5572 8.5578 9.0957 9.1529 10.4422 10.5488 11.1140 11.1407 11.5108 11.6239 k = 0.2639-0.6605 0.7434 ( 3744 PWs) bands (ev): -16.6323 -16.6321 -13.1828 -13.1828 -11.6310 -11.6240 -11.1576 -11.1547 -11.0706 -11.0674 -4.3778 -4.3723 -3.4822 -3.4807 -2.8006 -2.7943 -0.4643 -0.4432 -0.3253 -0.3180 2.1490 2.2244 2.3895 2.4856 2.6652 2.6871 2.8398 2.9854 3.3730 3.4411 3.5466 3.6495 4.7952 4.8019 4.8638 4.9073 5.0173 5.0528 5.6894 5.6957 5.8361 5.8822 8.5711 8.5715 9.0937 9.1497 10.4421 10.5442 11.1191 11.1361 11.5361 11.6034 k = 0.2700-0.6757 0.7271 ( 3742 PWs) bands (ev): -16.6331 -16.6329 -13.1808 -13.1807 -11.6316 -11.6247 -11.1580 -11.1551 -11.0709 -11.0677 -4.3799 -4.3743 -3.4820 -3.4805 -2.7997 -2.7933 -0.4641 -0.4433 -0.3239 -0.3181 2.1554 2.2309 2.3875 2.4900 2.6707 2.6810 2.8362 2.9821 3.3785 3.4308 3.5502 3.6349 4.7956 4.8029 4.9041 4.9455 4.9946 5.0040 5.6931 5.6968 5.8356 5.8822 8.5758 8.5761 9.0930 9.1487 10.4421 10.5427 11.1212 11.1343 11.5500 11.5913 k = 0.7300-0.3760 0.6195 ( 3742 PWs) bands (ev): -16.6331 -16.6329 -13.1808 -13.1807 -11.6316 -11.6247 -11.1580 -11.1551 -11.0709 -11.0677 -4.3799 -4.3743 -3.4820 -3.4805 -2.7997 -2.7933 -0.4641 -0.4433 -0.3239 -0.3181 2.1554 2.2309 2.3875 2.4900 2.6707 2.6810 2.8362 2.9821 3.3785 3.4308 3.5502 3.6349 4.7956 4.8029 4.9041 4.9455 4.9946 5.0040 5.6931 5.6968 5.8356 5.8822 8.5758 8.5761 9.0930 9.1487 10.4421 10.5427 11.1212 11.1343 11.5500 11.5913 k = 0.7240-0.3608 0.6032 ( 3740 PWs) bands (ev): -16.6336 -16.6333 -13.1809 -13.1809 -11.6634 -11.6562 -11.1590 -11.1584 -11.0396 -11.0328 -4.3921 -4.3857 -3.4994 -3.4985 -2.7467 -2.7398 -0.4650 -0.4435 -0.3343 -0.3306 2.1919 2.2674 2.3644 2.4631 2.6751 2.6826 2.8113 2.9409 3.4006 3.4402 3.5513 3.6353 4.7955 4.8030 4.9289 4.9627 4.9983 5.0118 5.6935 5.6978 5.8279 5.8717 8.5761 8.5764 9.1015 9.1517 10.3959 10.5507 11.1190 11.1319 11.5446 11.5698 k = 0.7179-0.3457 0.5869 ( 3740 PWs) bands (ev): -16.6343 -16.6339 -13.1811 -13.1811 -11.6977 -11.6902 -11.1646 -11.1626 -11.0024 -10.9941 -4.4062 -4.3989 -3.5132 -3.5128 -2.6922 -2.6847 -0.4676 -0.4462 -0.3397 -0.3388 2.2220 2.2852 2.3556 2.4373 2.6803 2.6849 2.7856 2.8991 3.4244 3.4532 3.5581 3.6402 4.7950 4.8026 4.9529 4.9773 5.0028 5.0220 5.6931 5.6980 5.8201 5.8607 8.5763 8.5765 9.1097 9.1539 10.3449 10.5551 11.1145 11.1250 11.5412 11.5498 k = 0.7119-0.3305 0.5706 ( 3736 PWs) bands (ev): -16.6351 -16.6347 -13.1814 -13.1813 -11.7337 -11.7260 -11.1702 -11.1677 -10.9628 -10.9539 -4.4218 -4.4139 -3.5235 -3.5234 -2.6362 -2.6282 -0.4723 -0.4516 -0.3423 -0.3398 2.2399 2.2662 2.3803 2.4199 2.6847 2.6870 2.7595 2.8568 3.4486 3.4690 3.5715 3.6503 4.7942 4.8017 4.9758 4.9894 5.0084 5.0343 5.6919 5.6975 5.8125 5.8491 8.5763 8.5766 9.1174 9.1551 10.2897 10.5561 11.1072 11.1132 11.5313 11.5401 k = 0.7058-0.3153 0.5543 ( 3732 PWs) bands (ev): -16.6360 -16.6355 -13.1816 -13.1815 -11.7710 -11.7631 -11.1755 -11.1727 -10.9222 -10.9131 -4.4389 -4.4304 -3.5307 -3.5305 -2.5790 -2.5703 -0.4791 -0.4593 -0.3412 -0.3352 2.2321 2.2390 2.4177 2.4181 2.6874 2.6883 2.7339 2.8146 3.4720 3.4868 3.5921 3.6659 4.7931 4.8004 4.9965 4.9995 5.0159 5.0476 5.6900 5.6963 5.8050 5.8369 8.5763 8.5765 9.1242 9.1549 10.2311 10.5542 11.0964 11.0967 11.5140 11.5414 k = 0.6998-0.3002 0.5380 ( 3736 PWs) bands (ev): -16.6370 -16.6366 -13.1819 -13.1818 -11.8091 -11.8010 -11.1804 -11.1775 -10.8814 -10.8723 -4.4572 -4.4482 -3.5347 -3.5345 -2.5207 -2.5113 -0.4874 -0.4683 -0.3359 -0.3267 2.1935 2.2197 2.4310 2.4576 2.6879 2.6881 2.7104 2.7728 3.4945 3.5063 3.6198 3.6869 4.7918 4.7988 5.0087 5.0120 5.0278 5.0608 5.6872 5.6944 5.7976 5.8243 8.5762 8.5764 9.1299 9.1530 10.1696 10.5496 11.0746 11.0828 11.4974 11.5450 k = 0.6937-0.2850 0.5217 ( 3736 PWs) bands (ev): -16.6382 -16.6377 -13.1823 -13.1821 -11.8477 -11.8395 -11.1849 -11.1820 -10.8408 -10.8317 -4.4765 -4.4671 -3.5358 -3.5355 -2.4615 -2.4511 -0.4966 -0.4780 -0.3272 -0.3152 2.1532 2.1892 2.4499 2.4974 2.6820 2.6850 2.6951 2.7334 3.5168 3.5272 3.6533 3.7130 4.7902 4.7968 5.0175 5.0220 5.0443 5.0730 5.6837 5.6919 5.7903 5.8112 8.5760 8.5762 9.1342 9.1491 10.1058 10.5426 11.0482 11.0656 11.4810 11.5507 k = 0.6877-0.2699 0.5054 ( 3736 PWs) bands (ev): -16.6395 -16.6389 -13.1826 -13.1825 -11.8865 -11.8783 -11.1891 -11.1862 -10.8005 -10.7916 -4.4965 -4.4869 -3.5340 -3.5339 -2.4013 -2.3901 -0.5062 -0.4875 -0.3156 -0.3013 2.1120 2.1532 2.4662 2.5354 2.6705 2.6715 2.6908 2.7050 3.5399 3.5498 3.6912 3.7436 4.7885 4.7946 5.0264 5.0304 5.0613 5.0836 5.6794 5.6887 5.7833 5.7976 8.5757 8.5759 9.1365 9.1427 10.0402 10.5339 11.0173 11.0454 11.4643 11.5581 k = 0.6816-0.2547 0.4891 ( 3740 PWs) bands (ev): -16.6409 -16.6403 -13.1830 -13.1829 -11.9253 -11.9171 -11.1929 -11.1901 -10.7607 -10.7520 -4.5170 -4.5072 -3.5298 -3.5298 -2.3406 -2.3284 -0.5157 -0.4968 -0.3016 -0.2855 2.0704 2.1147 2.4727 2.5668 2.6441 2.6676 2.6878 2.6959 3.5649 3.5743 3.7322 3.7779 4.7866 4.7922 5.0354 5.0388 5.0771 5.0924 5.6743 5.6851 5.7763 5.7837 8.5754 8.5755 9.1334 9.1363 9.9737 10.5236 10.9823 11.0225 11.4471 11.5666 k = 0.6755-0.2396 0.4728 ( 3734 PWs) bands (ev): -16.6424 -16.6418 -13.1834 -13.1833 -11.9639 -11.9557 -11.1966 -11.1939 -10.7217 -10.7132 -4.5378 -4.5280 -3.5235 -3.5232 -2.2793 -2.2661 -0.5249 -0.5054 -0.2855 -0.2680 2.0288 2.0750 2.4661 2.5684 2.6380 2.6776 2.6841 2.6943 3.5922 3.6010 3.7752 3.8150 4.7845 4.7895 5.0446 5.0475 5.0912 5.0990 5.6684 5.6809 5.7693 5.7694 8.5749 8.5751 9.1209 9.1332 9.9066 10.5122 10.9437 10.9976 11.4292 11.5757 k = 0.6695-0.2244 0.4565 ( 3734 PWs) bands (ev): -16.6440 -16.6433 -13.1839 -13.1837 -12.0021 -11.9940 -11.2001 -11.1974 -10.6835 -10.6753 -4.5588 -4.5490 -3.5151 -3.5146 -2.2176 -2.2033 -0.5336 -0.5133 -0.2677 -0.2491 1.9873 2.0349 2.4482 2.5360 2.6564 2.6797 2.6988 2.7011 3.6223 3.6303 3.8196 3.8544 4.7823 4.7866 5.0541 5.0565 5.1033 5.1034 5.6616 5.6763 5.7548 5.7623 8.5744 8.5746 9.1048 9.1263 9.8400 10.4997 10.9020 10.9712 11.4106 11.5844 k = 0.6634-0.2093 0.4402 ( 3734 PWs) bands (ev): -16.6456 -16.6449 -13.1843 -13.1842 -12.0398 -12.0318 -11.2035 -11.2008 -10.6462 -10.6383 -4.5797 -4.5699 -3.5050 -3.5042 -2.1558 -2.1402 -0.5416 -0.5204 -0.2483 -0.2290 1.9461 1.9949 2.4230 2.4958 2.6647 2.6748 2.7251 2.7269 3.6553 3.6622 3.8649 3.8953 4.7800 4.7835 5.0637 5.0658 5.1054 5.1132 5.6537 5.6713 5.7400 5.7550 8.5739 8.5740 9.0849 9.1150 9.7744 10.4862 10.8580 10.9442 11.3913 11.5919 k = 0.6574-0.1941 0.4239 ( 3730 PWs) bands (ev): -16.6474 -16.6466 -13.1848 -13.1846 -12.0768 -12.0689 -11.2067 -11.2042 -10.6100 -10.6024 -4.6004 -4.5907 -3.4933 -3.4921 -2.0938 -2.0770 -0.5488 -0.5266 -0.2276 -0.2078 1.9054 1.9551 2.3934 2.4540 2.6637 2.6693 2.7592 2.7594 3.6912 3.6968 3.9104 3.9373 4.7776 4.7802 5.0732 5.0755 5.1054 5.1209 5.6447 5.6660 5.7252 5.7473 8.5733 8.5734 9.0608 9.0985 9.7109 10.4711 10.8130 10.9172 11.3717 11.5973 k = 0.6513-0.1790 0.4076 ( 3724 PWs) bands (ev): -16.6491 -16.6484 -13.1853 -13.1851 -12.1131 -12.1053 -11.2098 -11.2074 -10.5749 -10.5675 -4.6207 -4.6112 -3.4801 -3.4786 -2.0320 -2.0139 -0.5552 -0.5318 -0.2057 -0.1858 1.8653 1.9160 2.3613 2.4119 2.6597 2.6634 2.7939 2.7969 3.7300 3.7340 3.9560 3.9798 4.7751 4.7768 5.0820 5.0855 5.1038 5.1262 5.6341 5.6605 5.7107 5.7390 8.5726 8.5727 9.0325 9.0760 9.6502 10.4532 10.7689 10.8908 11.3518 11.5999 k = 0.6453-0.1638 0.3913 ( 3722 PWs) bands (ev): -16.6510 -16.6502 -13.1858 -13.1856 -12.1485 -12.1409 -11.2129 -11.2105 -10.5409 -10.5339 -4.6406 -4.6313 -3.4656 -3.4638 -1.9704 -1.9509 -0.5607 -0.5362 -0.1830 -0.1633 1.8260 1.8774 2.3276 2.3699 2.6546 2.6572 2.8305 2.8356 3.7714 3.7736 4.0014 4.0227 4.7726 4.7733 5.0865 5.0957 5.1041 5.1292 5.6219 5.6546 5.6967 5.7299 8.5719 8.5720 9.0000 9.0469 9.5932 10.4306 10.7282 10.8656 11.3320 11.5992 k = 0.6392-0.1487 0.3750 ( 3720 PWs) bands (ev): -16.6528 -16.6520 -13.1863 -13.1862 -12.1830 -12.1756 -11.2159 -11.2136 -10.5081 -10.5014 -4.6599 -4.6509 -3.4501 -3.4479 -1.9093 -1.8884 -0.5653 -0.5395 -0.1595 -0.1403 1.7874 1.8397 2.2931 2.3283 2.6488 2.6507 2.8684 2.8752 3.8153 3.8154 4.0462 4.0655 4.7696 4.7700 5.0826 5.1060 5.1107 5.1298 5.6076 5.6487 5.6835 5.7198 8.5712 8.5712 8.9633 9.0107 9.5406 10.4008 10.6940 10.8421 11.3126 11.5950 k = 0.6332-0.1335 0.3587 ( 3716 PWs) bands (ev): -16.6547 -16.6539 -13.1868 -13.1867 -12.2165 -12.2093 -11.2188 -11.2166 -10.4766 -10.4702 -4.6787 -4.6699 -3.4337 -3.4312 -1.8488 -1.8264 -0.5689 -0.5419 -0.1356 -0.1171 1.7497 1.8029 2.2581 2.2872 2.6427 2.6440 2.9077 2.9154 3.8591 3.8615 4.0902 4.1079 4.7659 4.7675 5.0732 5.1162 5.1203 5.1280 5.5911 5.6425 5.6713 5.7085 8.5704 8.5704 8.9227 8.9676 9.4924 10.3619 10.6687 10.8207 11.2937 11.5876 k = 0.6271-0.1184 0.3424 ( 3712 PWs) bands (ev): -16.6566 -16.6558 -13.1874 -13.1872 -12.2489 -12.2419 -11.2217 -11.2195 -10.4465 -10.4403 -4.6967 -4.6883 -3.4164 -3.4136 -1.7890 -1.7651 -0.5716 -0.5433 -0.1115 -0.0939 1.7130 1.7670 2.2231 2.2468 2.6363 2.6373 2.9484 2.9565 3.9044 3.9097 4.1333 4.1499 4.7621 4.7649 5.0607 5.1214 5.1287 5.1307 5.5725 5.6363 5.6601 5.6959 8.5696 8.5697 8.8785 8.9182 9.4486 10.3137 10.6530 10.8016 11.2757 11.5775 k = 0.6211-0.1032 0.3261 ( 3728 PWs) bands (ev): -16.6585 -16.6577 -13.1879 -13.1877 -12.2802 -12.2734 -11.2245 -11.2224 -10.4176 -10.4118 -4.7140 -4.7059 -3.3986 -3.3956 -1.7301 -1.7047 -0.5733 -0.5438 -0.0875 -0.0710 1.6773 1.7321 2.1881 2.2073 2.6297 2.6305 2.9905 2.9985 3.9509 3.9595 4.1752 4.1911 4.7581 4.7624 5.0457 5.1148 5.1385 5.1413 5.5520 5.6300 5.6499 5.6817 8.5687 8.5688 8.8310 8.8634 9.4087 10.2574 10.6459 10.7851 11.2588 11.5653 k = 0.6150-0.0881 0.3097 ( 3734 PWs) bands (ev): -16.6604 -16.6596 -13.1884 -13.1883 -12.3102 -12.3037 -11.2272 -11.2252 -10.3902 -10.3847 -4.7306 -4.7228 -3.3803 -3.3771 -1.6723 -1.6454 -0.5739 -0.5432 -0.0638 -0.0487 1.6428 1.6983 2.1536 2.1689 2.6231 2.6236 3.0343 3.0416 3.9983 4.0108 4.2157 4.2314 4.7542 4.7600 5.0282 5.1047 5.1490 5.1521 5.5298 5.6237 5.6405 5.6660 8.5678 8.5680 8.7807 8.8045 9.3719 10.1951 10.6457 10.7710 11.2433 11.5518 k = 0.6090-0.0729 0.2934 ( 3734 PWs) bands (ev): -16.6623 -16.6615 -13.1889 -13.1888 -12.3390 -12.3327 -11.2299 -11.2279 -10.3641 -10.3589 -4.7463 -4.7389 -3.3618 -3.3583 -1.6156 -1.5873 -0.5735 -0.5417 -0.0407 -0.0271 1.6095 1.6657 2.1196 2.1316 2.6165 2.6169 3.0797 3.0860 4.0461 4.0632 4.2547 4.2708 4.7502 4.7577 5.0084 5.0916 5.1595 5.1628 5.5062 5.6172 5.6318 5.6487 8.5669 8.5672 8.7281 8.7428 9.3378 10.1287 10.6505 10.7595 11.2294 11.5374 k = 0.6029-0.0578 0.2771 ( 3748 PWs) bands (ev): -16.6641 -16.6633 -13.1895 -13.1893 -12.3664 -12.3605 -11.2324 -11.2306 -10.3395 -10.3346 -4.7612 -4.7542 -3.3430 -3.3394 -1.5604 -1.5307 -0.5720 -0.5393 -0.0186 -0.0067 1.5776 1.6342 2.0865 2.0956 2.6100 2.6103 3.1269 3.1317 4.0940 4.1165 4.2919 4.3090 4.7462 4.7555 4.9865 5.0754 5.1699 5.1733 5.4817 5.6103 5.6236 5.6303 8.5658 8.5664 8.6739 8.6795 9.3058 10.0597 10.6589 10.7502 11.2174 11.5228 k = 0.5969-0.0426 0.2608 ( 3748 PWs) bands (ev): -16.6659 -16.6652 -13.1900 -13.1898 -12.3925 -12.3869 -11.2349 -11.2331 -10.3163 -10.3117 -4.7753 -4.7686 -3.3243 -3.3206 -1.5066 -1.4756 -0.5695 -0.5359 0.0023 0.0125 1.5471 1.6039 2.0544 2.0611 2.6035 2.6038 3.1761 3.1789 4.1412 4.1702 4.3272 4.3461 4.7422 4.7534 4.9625 5.0561 5.1801 5.1837 5.4566 5.6004 5.6132 5.6160 8.5644 8.5656 8.6161 8.6185 9.2755 9.9894 10.6696 10.7431 11.2075 11.5083 k = 0.5908-0.0275 0.2445 ( 3748 PWs) bands (ev): -16.6676 -16.6669 -13.1904 -13.1903 -12.4172 -12.4118 -11.2373 -11.2356 -10.2945 -10.2902 -4.7885 -4.7822 -3.3058 -3.3020 -1.4544 -1.4224 -0.5658 -0.5316 0.0216 0.0300 1.5182 1.5750 2.0236 2.0283 2.5972 2.5974 3.2271 3.2276 4.1874 4.2242 4.3604 4.3821 4.7381 4.7515 4.9365 5.0336 5.1901 5.1938 5.4313 5.5820 5.6032 5.6088 8.5484 8.5625 8.5649 8.5677 9.2469 9.9186 10.6818 10.7378 11.2000 11.4944 k = 0.5847-0.0123 0.2282 ( 3744 PWs) bands (ev): -16.6693 -16.6686 -13.1909 -13.1908 -12.4405 -12.4354 -11.2395 -11.2380 -10.2741 -10.2702 -4.8009 -4.7950 -3.2875 -3.2838 -1.4041 -1.3713 -0.5610 -0.5263 0.0391 0.0457 1.4909 1.5474 1.9942 1.9973 2.5912 2.5913 3.2779 3.2801 4.2318 4.2781 4.3912 4.4170 4.7341 4.7497 4.9088 5.0079 5.1998 5.2036 5.4060 5.5587 5.5967 5.6021 8.4885 8.5068 8.5641 8.5644 9.2199 9.8481 10.6945 10.7341 11.1950 11.4811 k = 0.5787 0.0028 0.2119 ( 3740 PWs) bands (ev): -16.6709 -16.6703 -13.1914 -13.1912 -12.4622 -12.4575 -11.2417 -11.2402 -10.2552 -10.2516 -4.8123 -4.8069 -3.2698 -3.2660 -1.3559 -1.3224 -0.5551 -0.5202 0.0545 0.0594 1.4655 1.5211 1.9664 1.9682 2.5853 2.5855 3.3298 3.3351 4.2735 4.3315 4.4193 4.4510 4.7299 4.7480 4.8797 4.9791 5.2092 5.2130 5.3810 5.5334 5.5910 5.5958 8.4285 8.4516 8.5633 8.5633 9.1946 9.7785 10.7072 10.7318 11.1927 11.4687 k = 0.5726 0.0180 0.1956 ( 3746 PWs) bands (ev): -16.6724 -16.6718 -13.1918 -13.1916 -12.4825 -12.4781 -11.2437 -11.2423 -10.2378 -10.2344 -4.8229 -4.8179 -3.2526 -3.2490 -1.3098 -1.2762 -0.5481 -0.5133 0.0676 0.0708 1.4420 1.4964 1.9404 1.9412 2.5798 2.5799 3.3834 3.3920 4.3115 4.3840 4.4445 4.4843 4.7256 4.7460 4.8498 4.9477 5.2181 5.2219 5.3567 5.5067 5.5858 5.5899 8.3708 8.3976 8.5624 8.5626 9.1713 9.7104 10.7191 10.7306 11.1933 11.4572 k = 0.5666 0.0331 0.1793 ( 3746 PWs) bands (ev): -16.6739 -16.6733 -13.1922 -13.1921 -12.5012 -12.4972 -11.2456 -11.2443 -10.2217 -10.2187 -4.8327 -4.8280 -3.2362 -3.2327 -1.2662 -1.2327 -0.5399 -0.5056 0.0782 0.0800 1.4205 1.4731 1.9163 1.9163 2.5745 2.5747 3.4385 3.4507 4.3447 4.4348 4.4667 4.5171 4.7210 4.7431 4.8204 4.9144 5.2266 5.2304 5.3333 5.4789 5.5810 5.5845 8.3161 8.3454 8.5616 8.5619 9.1501 9.6441 10.7298 10.7303 11.1966 11.4466 k = 0.5605 0.0483 0.1630 ( 3742 PWs) bands (ev): -16.6752 -16.6747 -13.1926 -13.1924 -12.5184 -12.5147 -11.2474 -11.2462 -10.2071 -10.2043 -4.8415 -4.8373 -3.2207 -3.2174 -1.2252 -1.1923 -0.5306 -0.4973 0.0862 0.0868 1.4011 1.4514 1.8936 1.8943 2.5696 2.5698 3.4952 3.5112 4.3715 4.4763 4.4924 4.5496 4.7157 4.7371 4.7947 4.8803 5.2346 5.2383 5.3108 5.4503 5.5766 5.5795 8.2650 8.2955 8.5609 8.5613 9.1313 9.5802 10.7308 10.7391 11.2028 11.4367 k = 0.5545 0.0634 0.1467 ( 3742 PWs) bands (ev): -16.6764 -16.6759 -13.1929 -13.1928 -12.5340 -12.5306 -11.2490 -11.2479 -10.1939 -10.1914 -4.8495 -4.8457 -3.2063 -3.2031 -1.1871 -1.1552 -0.5203 -0.4884 0.0913 0.0917 1.3840 1.4313 1.8733 1.8743 2.5651 2.5653 3.5533 3.5733 4.3903 4.4917 4.5367 4.5816 4.7092 4.7241 4.7781 4.8475 5.2421 5.2456 5.2894 5.4212 5.5725 5.5749 8.2179 8.2484 8.5602 8.5606 9.1153 9.5191 10.7318 10.7466 11.2115 11.4275 k = 0.5484 0.0786 0.1304 ( 3750 PWs) bands (ev): -16.6776 -16.6771 -13.1932 -13.1931 -12.5479 -12.5449 -11.2504 -11.2495 -10.1821 -10.1799 -4.8566 -4.8532 -3.1930 -3.1901 -1.1520 -1.1219 -0.5092 -0.4791 0.0935 0.0947 1.3691 1.4129 1.8552 1.8565 2.5610 2.5612 3.6127 3.6369 4.3993 4.4963 4.5820 4.6125 4.7007 4.7047 4.7720 4.8189 5.2487 5.2523 5.2695 5.3918 5.5687 5.5707 8.1751 8.2047 8.5596 8.5600 9.1023 9.4609 10.7334 10.7525 11.2223 11.4187 k = 0.5424 0.0937 0.1141 ( 3752 PWs) bands (ev): -16.6786 -16.6782 -13.1935 -13.1934 -12.5603 -12.5577 -11.2517 -11.2509 -10.1718 -10.1698 -4.8628 -4.8599 -3.1809 -3.1783 -1.1203 -1.0923 -0.4974 -0.4698 0.0939 0.0955 1.3565 1.3962 1.8394 1.8408 2.5573 2.5575 3.6732 3.7017 4.3968 4.4907 4.6245 4.6406 4.6862 4.6901 4.7723 4.7976 5.2489 5.2568 5.2583 5.3625 5.5654 5.5671 8.1369 8.1646 8.5591 8.5595 9.0926 9.4062 10.7353 10.7566 11.2350 11.4102 k = 0.5363 0.1089 0.0978 ( 3750 PWs) bands (ev): -16.6794 -16.6791 -13.1937 -13.1937 -12.5710 -12.5687 -11.2529 -11.2521 -10.1628 -10.1611 -4.8682 -4.8656 -3.1702 -3.1679 -1.0920 -1.0668 -0.4852 -0.4605 0.0926 0.0945 1.3462 1.3812 1.8259 1.8274 2.5541 2.5542 3.7345 3.7675 4.3817 4.4729 4.6575 4.6624 4.6792 4.6805 4.7765 4.7855 5.2329 5.2612 5.2635 5.3337 5.5625 5.5638 8.1036 8.1288 8.5586 8.5590 9.0866 9.3552 10.7376 10.7593 11.2490 11.4016 k = 0.5303 0.1240 0.0815 ( 3748 PWs) bands (ev): -16.6802 -16.6799 -13.1940 -13.1939 -12.5801 -12.5782 -11.2538 -11.2532 -10.1552 -10.1538 -4.8727 -4.8706 -3.1610 -3.1590 -1.0674 -1.0456 -0.4732 -0.4519 0.0902 0.0922 1.3381 1.3680 1.8147 1.8161 2.5513 2.5514 3.7966 3.8341 4.3544 4.4421 4.6542 4.6695 4.6946 4.6963 4.7824 4.7840 5.2180 5.2659 5.2680 5.3056 5.5600 5.5611 8.0755 8.0973 8.5582 8.5586 9.0844 9.3081 10.7401 10.7606 11.2639 11.3927 k = 0.5242 0.1392 0.0652 ( 3752 PWs) bands (ev): -16.6808 -16.6806 -13.1941 -13.1941 -12.5874 -12.5859 -11.2546 -11.2541 -10.1489 -10.1478 -4.8764 -4.8746 -3.1533 -3.1517 -1.0466 -1.0286 -0.4618 -0.4442 0.0872 0.0890 1.3322 1.3566 1.8056 1.8068 2.5490 2.5491 3.8590 3.9011 4.3170 4.4001 4.6502 4.6631 4.7122 4.7170 4.7881 4.7943 5.2058 5.2699 5.2717 5.2789 5.5580 5.5588 8.0527 8.0707 8.5579 8.5583 9.0863 9.2652 10.7428 10.7607 11.2793 11.3833 k = 0.5182 0.1543 0.0489 ( 3748 PWs) bands (ev): -16.6813 -16.6811 -13.1943 -13.1942 -12.5932 -12.5920 -11.2552 -11.2548 -10.1440 -10.1432 -4.8791 -4.8779 -3.1471 -3.1459 -1.0297 -1.0159 -0.4516 -0.4381 0.0841 0.0856 1.3284 1.3470 1.7987 1.7997 2.5472 2.5473 3.9213 3.9681 4.2719 4.3497 4.6488 4.6589 4.7236 4.7296 4.8005 4.8062 5.1971 5.2542 5.2732 5.2745 5.5564 5.5570 8.0353 8.0492 8.5577 8.5580 9.0925 9.2267 10.7456 10.7599 11.2946 11.3732 k = 0.5121 0.1695 0.0326 ( 3738 PWs) bands (ev): -16.6816 -16.6815 -13.1943 -13.1943 -12.5972 -12.5964 -11.2556 -11.2554 -10.1405 -10.1400 -4.8810 -4.8802 -3.1426 -3.1418 -1.0169 -1.0076 -0.4431 -0.4339 0.0815 0.0825 1.3267 1.3392 1.7939 1.7946 2.5460 2.5460 3.9832 4.0343 4.2217 4.2936 4.6490 4.6560 4.7310 4.7353 4.8140 4.8174 5.1930 5.2324 5.2756 5.2765 5.5553 5.5557 8.0236 8.0330 8.5576 8.5578 9.1033 9.1927 10.7484 10.7584 11.3097 11.3623 k = 0.5061 0.1846 0.0163 ( 3732 PWs) bands (ev): -16.6818 -16.6817 -13.1944 -13.1944 -12.5995 -12.5991 -11.2558 -11.2557 -10.1384 -10.1381 -4.8821 -4.8817 -3.1398 -3.1394 -1.0083 -1.0035 -0.4368 -0.4322 0.0798 0.0804 1.3270 1.3333 1.7911 1.7914 2.5452 2.5452 4.0438 4.0968 4.1704 4.2339 4.6501 4.6537 4.7353 4.7375 4.8239 4.8252 5.1943 5.2145 5.2771 5.2776 5.5547 5.5548 8.0175 8.0222 8.5575 8.5576 9.1186 9.1633 10.7513 10.7564 11.3241 11.3505 k = 0.5000 0.1998-0.0000 ( 3732 PWs) bands (ev): -16.6818 -16.6818 -13.1944 -13.1944 -12.6002 -12.6002 -11.2558 -11.2558 -10.1376 -10.1376 -4.8823 -4.8823 -3.1388 -3.1388 -1.0038 -1.0038 -0.4331 -0.4331 0.0794 0.0794 1.3292 1.3292 1.7902 1.7902 2.5450 2.5450 4.1000 4.1000 4.1744 4.1744 4.6518 4.6518 4.7374 4.7374 4.8277 4.8277 5.2016 5.2016 5.2778 5.2778 5.5545 5.5545 8.0170 8.0170 8.5575 8.5575 9.1386 9.1386 10.7540 10.7540 11.3378 11.3378 Writing output data file Bi2CO5.save init_run : 2.47s CPU 11.29s WALL ( 1 calls) electrons : 1460.07s CPU 1477.10s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.04s WALL ( 1 calls) potinit : 0.62s CPU 1.57s WALL ( 1 calls) Called by electrons: c_bands : 1460.04s CPU 1476.83s WALL ( 1 calls) v_of_rho : 0.21s CPU 0.90s WALL ( 1 calls) v_h : 0.02s CPU 0.02s WALL ( 1 calls) v_xc : 0.19s CPU 0.64s WALL ( 1 calls) newd : 0.15s CPU 0.34s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.07s WALL ( 399 calls) cegterg : 1375.43s CPU 1388.47s WALL ( 1176 calls) Called by sum_band: Called by *egterg: h_psi : 876.04s CPU 893.74s WALL ( 21255 calls) s_psi : 18.63s CPU 19.12s WALL ( 21255 calls) g_psi : 0.86s CPU 0.98s WALL ( 19680 calls) cdiaghg : 378.87s CPU 374.36s WALL ( 20079 calls) cegterg:over : 74.05s CPU 70.98s WALL ( 19680 calls) cegterg:upda : 14.26s CPU 19.39s WALL ( 19680 calls) cegterg:last : 12.42s CPU 13.42s WALL ( 2777 calls) Called by h_psi: h_psi:vloc : 800.34s CPU 815.78s WALL ( 21255 calls) h_psi:vnl : 75.35s CPU 76.95s WALL ( 21255 calls) add_vuspsi : 27.54s CPU 32.45s WALL ( 21255 calls) General routines calbec : 47.74s CPU 44.34s WALL ( 21255 calls) fft : 0.69s CPU 1.41s WALL ( 19 calls) ffts : 0.08s CPU 0.08s WALL ( 4 calls) fftw : 748.83s CPU 758.40s WALL ( 1772680 calls) interpolate : 0.23s CPU 0.23s WALL ( 4 calls) davcio : 0.04s CPU 2.16s WALL ( 798 calls) Parallel routines fft_scatter : 406.26s CPU 409.25s WALL ( 1772703 calls) PWSCF : 25m24.49s CPU 27m 4.96s WALL This run was terminated on: 20: 0:45 3Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=