Program PWSCF v.5.1.1 starts on 23Oct2015 at 22: 3:45 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: ./Al2CdSe4.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 163 38 11 6761 773 120 Max 164 39 12 6765 798 122 Sum 7869 1869 545 324645 37611 5801 bravais-lattice index = 14 lattice parameter (alat) = 12.6808 a.u. unit-cell volume = 1190.2006 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 3 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 38.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.680836 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.633263 celldm(5)= -0.633263 celldm(6)= 0.266527 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.266527 0.963828 0.000000 ) a(3) = ( -0.633263 -0.481914 0.605588 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.276530 0.825644 ) b(2) = ( 0.000000 1.037530 0.825644 ) b(3) = ( 0.000000 0.000000 1.651288 ) PseudoPot. # 1 for Cd read from file: /home/autes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Se read from file: /home/autes/Pseudo/Se_MT_PBE.UPF MD5 check sum: 8b5aa0a73ac3f20b8f2ba32420215307 Pseudo is Norm-conserving, Zval = 6.0 Generated using "atomic" code by A. Dal Corso (espresso distribution) Using radial grid of 1211 points, 3 beta functions with: l(1) = 0 l(2) = 1 l(3) = 1 PseudoPot. # 3 for Al read from file: /home/autes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Cd 12.00 112.41100 Cd( 1.00) Se 6.00 78.96000 Se( 1.00) Al 3.00 26.98150 Al( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 275 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 2) = ( 0.0000000 0.0000000 0.0211704), wk = 0.0036364 k( 3) = ( 0.0000000 0.0000000 0.0423407), wk = 0.0036364 k( 4) = ( 0.0000000 0.0000000 0.0635111), wk = 0.0036364 k( 5) = ( 0.0000000 0.0000000 0.0846814), wk = 0.0036364 k( 6) = ( 0.0000000 0.0000000 0.1058518), wk = 0.0036364 k( 7) = ( 0.0000000 0.0000000 0.1270222), wk = 0.0036364 k( 8) = ( 0.0000000 0.0000000 0.1481925), wk = 0.0036364 k( 9) = ( 0.0000000 0.0000000 0.1693629), wk = 0.0036364 k( 10) = ( 0.0000000 0.0000000 0.1905333), wk = 0.0036364 k( 11) = ( 0.0000000 0.0000000 0.2117036), wk = 0.0036364 k( 12) = ( 0.0000000 0.0000000 0.2328740), wk = 0.0036364 k( 13) = ( 0.0000000 0.0000000 0.2540443), wk = 0.0036364 k( 14) = ( 0.0000000 0.0000000 0.2752147), wk = 0.0036364 k( 15) = ( 0.0000000 0.0000000 0.2963851), wk = 0.0036364 k( 16) = ( 0.0000000 0.0000000 0.3175554), wk = 0.0036364 k( 17) = ( 0.0000000 0.0000000 0.3387258), wk = 0.0036364 k( 18) = ( 0.0000000 0.0000000 0.3598961), wk = 0.0036364 k( 19) = ( 0.0000000 0.0000000 0.3810665), wk = 0.0036364 k( 20) = ( 0.0000000 0.0000000 0.4022369), wk = 0.0036364 k( 21) = ( 0.0000000 0.0000000 0.4234072), wk = 0.0036364 k( 22) = ( 0.0000000 0.0000000 0.4445776), wk = 0.0036364 k( 23) = ( 0.0000000 0.0000000 0.4657479), wk = 0.0036364 k( 24) = ( 0.0000000 0.0000000 0.4869183), wk = 0.0036364 k( 25) = ( 0.0000000 0.0000000 0.5080887), wk = 0.0036364 k( 26) = ( 0.0000000 0.0000000 0.5292590), wk = 0.0036364 k( 27) = ( 0.0000000 0.0000000 0.5504294), wk = 0.0036364 k( 28) = ( 0.0000000 0.0000000 0.5715998), wk = 0.0036364 k( 29) = ( 0.0000000 0.0000000 0.5927701), wk = 0.0036364 k( 30) = ( 0.0000000 0.0000000 0.6139405), wk = 0.0036364 k( 31) = ( 0.0000000 0.0000000 0.6351108), wk = 0.0036364 k( 32) = ( 0.0000000 0.0000000 0.6562812), wk = 0.0036364 k( 33) = ( 0.0000000 0.0000000 0.6774516), wk = 0.0036364 k( 34) = ( 0.0000000 0.0000000 0.6986219), wk = 0.0036364 k( 35) = ( 0.0000000 0.0000000 0.7197923), wk = 0.0036364 k( 36) = ( 0.0000000 0.0000000 0.7409626), wk = 0.0036364 k( 37) = ( 0.0000000 0.0000000 0.7621330), wk = 0.0036364 k( 38) = ( 0.0000000 0.0000000 0.7833034), wk = 0.0036364 k( 39) = ( 0.0000000 0.0000000 0.8044737), wk = 0.0036364 k( 40) = ( 0.0000000 0.0000000 0.8256441), wk = 0.0036364 k( 41) = ( 0.0000000 0.0000000 0.8256441), wk = 0.0036364 k( 42) = ( -0.0120650 0.0158542 0.8256441), wk = 0.0036364 k( 43) = ( -0.0241301 0.0317083 0.8256441), wk = 0.0036364 k( 44) = ( -0.0361951 0.0475625 0.8256441), wk = 0.0036364 k( 45) = ( -0.0482602 0.0634167 0.8256441), wk = 0.0036364 k( 46) = ( -0.0603252 0.0792709 0.8256441), wk = 0.0036364 k( 47) = ( -0.0723902 0.0951251 0.8256441), wk = 0.0036364 k( 48) = ( -0.0844553 0.1109792 0.8256441), wk = 0.0036364 k( 49) = ( -0.0965203 0.1268334 0.8256441), wk = 0.0036364 k( 50) = ( -0.1085853 0.1426876 0.8256441), wk = 0.0036364 k( 51) = ( -0.1206504 0.1585418 0.8256441), wk = 0.0036364 k( 52) = ( -0.1327154 0.1743959 0.8256441), wk = 0.0036364 k( 53) = ( -0.1447804 0.1902501 0.8256441), wk = 0.0036364 k( 54) = ( -0.1447804 0.1902501 0.8256441), wk = 0.0036364 k( 55) = ( -0.1536609 0.2019196 0.8109798), wk = 0.0036364 k( 56) = ( -0.1625414 0.2135891 0.7963156), wk = 0.0036364 k( 57) = ( -0.1714219 0.2252586 0.7816513), wk = 0.0036364 k( 58) = ( -0.1803024 0.2369281 0.7669871), wk = 0.0036364 k( 59) = ( -0.1891829 0.2485976 0.7523229), wk = 0.0036364 k( 60) = ( -0.1980634 0.2602671 0.7376586), wk = 0.0036364 k( 61) = ( -0.2069439 0.2719366 0.7229944), wk = 0.0036364 k( 62) = ( -0.2158243 0.2836061 0.7083301), wk = 0.0036364 k( 63) = ( -0.2247048 0.2952755 0.6936659), wk = 0.0036364 k( 64) = ( -0.2335853 0.3069450 0.6790016), wk = 0.0036364 k( 65) = ( -0.2424658 0.3186145 0.6643374), wk = 0.0036364 k( 66) = ( -0.2513463 0.3302840 0.6496731), wk = 0.0036364 k( 67) = ( -0.2602268 0.3419535 0.6350089), wk = 0.0036364 k( 68) = ( -0.2691073 0.3536230 0.6203446), wk = 0.0036364 k( 69) = ( -0.2779878 0.3652925 0.6056804), wk = 0.0036364 k( 70) = ( -0.2868683 0.3769620 0.5910161), wk = 0.0036364 k( 71) = ( -0.2957488 0.3886315 0.5763519), wk = 0.0036364 k( 72) = ( -0.3046292 0.4003010 0.5616876), wk = 0.0036364 k( 73) = ( -0.3135097 0.4119705 0.5470234), wk = 0.0036364 k( 74) = ( -0.3223902 0.4236400 0.5323592), wk = 0.0036364 k( 75) = ( -0.3223902 0.4236400 0.5323592), wk = 0.0036364 k( 76) = ( -0.3134349 0.4118722 0.5175714), wk = 0.0036364 k( 77) = ( -0.3044796 0.4001044 0.5027836), wk = 0.0036364 k( 78) = ( -0.2955244 0.3883366 0.4879959), wk = 0.0036364 k( 79) = ( -0.2865691 0.3765688 0.4732081), wk = 0.0036364 k( 80) = ( -0.2776138 0.3648011 0.4584204), wk = 0.0036364 k( 81) = ( -0.2686585 0.3530333 0.4436326), wk = 0.0036364 k( 82) = ( -0.2597032 0.3412655 0.4288449), wk = 0.0036364 k( 83) = ( -0.2507479 0.3294977 0.4140571), wk = 0.0036364 k( 84) = ( -0.2417927 0.3177300 0.3992694), wk = 0.0036364 k( 85) = ( -0.2328374 0.3059622 0.3844816), wk = 0.0036364 k( 86) = ( -0.2238821 0.2941944 0.3696939), wk = 0.0036364 k( 87) = ( -0.2149268 0.2824266 0.3549061), wk = 0.0036364 k( 88) = ( -0.2059715 0.2706589 0.3401183), wk = 0.0036364 k( 89) = ( -0.1970163 0.2588911 0.3253306), wk = 0.0036364 k( 90) = ( -0.1880610 0.2471233 0.3105428), wk = 0.0036364 k( 91) = ( -0.1791057 0.2353555 0.2957551), wk = 0.0036364 k( 92) = ( -0.1701504 0.2235878 0.2809673), wk = 0.0036364 k( 93) = ( -0.1611951 0.2118200 0.2661796), wk = 0.0036364 k( 94) = ( -0.1522398 0.2000522 0.2513918), wk = 0.0036364 k( 95) = ( -0.1432845 0.1882844 0.2366041), wk = 0.0036364 k( 96) = ( -0.1343293 0.1765167 0.2218163), wk = 0.0036364 k( 97) = ( -0.1253740 0.1647489 0.2070286), wk = 0.0036364 k( 98) = ( -0.1164187 0.1529811 0.1922408), wk = 0.0036364 k( 99) = ( -0.1074634 0.1412133 0.1774531), wk = 0.0036364 k( 100) = ( -0.0985081 0.1294455 0.1626653), wk = 0.0036364 k( 101) = ( -0.0895528 0.1176778 0.1478775), wk = 0.0036364 k( 102) = ( -0.0805976 0.1059100 0.1330898), wk = 0.0036364 k( 103) = ( -0.0716423 0.0941422 0.1183020), wk = 0.0036364 k( 104) = ( -0.0626870 0.0823744 0.1035143), wk = 0.0036364 k( 105) = ( -0.0537317 0.0706067 0.0887265), wk = 0.0036364 k( 106) = ( -0.0447764 0.0588389 0.0739388), wk = 0.0036364 k( 107) = ( -0.0358211 0.0470711 0.0591510), wk = 0.0036364 k( 108) = ( -0.0268659 0.0353033 0.0443633), wk = 0.0036364 k( 109) = ( -0.0179106 0.0235356 0.0295755), wk = 0.0036364 k( 110) = ( -0.0089553 0.0117678 0.0147877), wk = 0.0036364 k( 111) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 113) = ( 0.0166667 0.0126833 0.0000000), wk = 0.0036364 k( 114) = ( 0.0333333 0.0253667 0.0000000), wk = 0.0036364 k( 115) = ( 0.0500000 0.0380500 0.0000000), wk = 0.0036364 k( 116) = ( 0.0666667 0.0507334 0.0000000), wk = 0.0036364 k( 117) = ( 0.0833333 0.0634167 0.0000000), wk = 0.0036364 k( 118) = ( 0.1000000 0.0761001 0.0000000), wk = 0.0036364 k( 119) = ( 0.1166667 0.0887834 0.0000000), wk = 0.0036364 k( 120) = ( 0.1333333 0.1014667 0.0000000), wk = 0.0036364 k( 121) = ( 0.1500000 0.1141501 0.0000000), wk = 0.0036364 k( 122) = ( 0.1666667 0.1268334 0.0000000), wk = 0.0036364 k( 123) = ( 0.1833333 0.1395168 0.0000000), wk = 0.0036364 k( 124) = ( 0.2000000 0.1522001 0.0000000), wk = 0.0036364 k( 125) = ( 0.2166667 0.1648834 0.0000000), wk = 0.0036364 k( 126) = ( 0.2333333 0.1775668 0.0000000), wk = 0.0036364 k( 127) = ( 0.2500000 0.1902501 0.0000000), wk = 0.0036364 k( 128) = ( 0.2666667 0.2029335 0.0000000), wk = 0.0036364 k( 129) = ( 0.2833333 0.2156168 0.0000000), wk = 0.0036364 k( 130) = ( 0.3000000 0.2283002 0.0000000), wk = 0.0036364 k( 131) = ( 0.3166667 0.2409835 0.0000000), wk = 0.0036364 k( 132) = ( 0.3333333 0.2536668 0.0000000), wk = 0.0036364 k( 133) = ( 0.3500000 0.2663502 0.0000000), wk = 0.0036364 k( 134) = ( 0.3666667 0.2790335 0.0000000), wk = 0.0036364 k( 135) = ( 0.3833333 0.2917169 0.0000000), wk = 0.0036364 k( 136) = ( 0.4000000 0.3044002 0.0000000), wk = 0.0036364 k( 137) = ( 0.4166667 0.3170835 0.0000000), wk = 0.0036364 k( 138) = ( 0.4333333 0.3297669 0.0000000), wk = 0.0036364 k( 139) = ( 0.4500000 0.3424502 0.0000000), wk = 0.0036364 k( 140) = ( 0.4666667 0.3551336 0.0000000), wk = 0.0036364 k( 141) = ( 0.4833333 0.3678169 0.0000000), wk = 0.0036364 k( 142) = ( 0.5000000 0.3805003 0.0000000), wk = 0.0036364 k( 143) = ( 0.5000000 0.3805003 0.0000000), wk = 0.0036364 k( 144) = ( 0.4911195 0.3921697 0.0146642), wk = 0.0036364 k( 145) = ( 0.4822390 0.4038392 0.0293285), wk = 0.0036364 k( 146) = ( 0.4733585 0.4155087 0.0439927), wk = 0.0036364 k( 147) = ( 0.4644780 0.4271782 0.0586570), wk = 0.0036364 k( 148) = ( 0.4555976 0.4388477 0.0733212), wk = 0.0036364 k( 149) = ( 0.4467171 0.4505172 0.0879855), wk = 0.0036364 k( 150) = ( 0.4378366 0.4621867 0.1026497), wk = 0.0036364 k( 151) = ( 0.4289561 0.4738562 0.1173140), wk = 0.0036364 k( 152) = ( 0.4200756 0.4855257 0.1319782), wk = 0.0036364 k( 153) = ( 0.4111951 0.4971952 0.1466425), wk = 0.0036364 k( 154) = ( 0.4023146 0.5088647 0.1613067), wk = 0.0036364 k( 155) = ( 0.3934341 0.5205342 0.1759710), wk = 0.0036364 k( 156) = ( 0.3845536 0.5322036 0.1906352), wk = 0.0036364 k( 157) = ( 0.3756732 0.5438731 0.2052995), wk = 0.0036364 k( 158) = ( 0.3667927 0.5555426 0.2199637), wk = 0.0036364 k( 159) = ( 0.3579122 0.5672121 0.2346279), wk = 0.0036364 k( 160) = ( 0.3490317 0.5788816 0.2492922), wk = 0.0036364 k( 161) = ( 0.3401512 0.5905511 0.2639564), wk = 0.0036364 k( 162) = ( 0.3312707 0.6022206 0.2786207), wk = 0.0036364 k( 163) = ( 0.3223902 0.6138901 0.2932849), wk = 0.0036364 k( 164) = ( 0.3223902 0.6138901 0.2932849), wk = 0.0036364 k( 165) = ( 0.3034261 0.6082945 0.3003165), wk = 0.0036364 k( 166) = ( 0.2844620 0.6026989 0.3073481), wk = 0.0036364 k( 167) = ( 0.2654978 0.5971033 0.3143797), wk = 0.0036364 k( 168) = ( 0.2465337 0.5915077 0.3214113), wk = 0.0036364 k( 169) = ( 0.2275696 0.5859121 0.3284429), wk = 0.0036364 k( 170) = ( 0.2086054 0.5803165 0.3354745), wk = 0.0036364 k( 171) = ( 0.1896413 0.5747209 0.3425061), wk = 0.0036364 k( 172) = ( 0.1706772 0.5691253 0.3495377), wk = 0.0036364 k( 173) = ( 0.1517130 0.5635298 0.3565693), wk = 0.0036364 k( 174) = ( 0.1327489 0.5579342 0.3636009), wk = 0.0036364 k( 175) = ( 0.1137848 0.5523386 0.3706325), wk = 0.0036364 k( 176) = ( 0.0948207 0.5467430 0.3776641), wk = 0.0036364 k( 177) = ( 0.0758565 0.5411474 0.3846957), wk = 0.0036364 k( 178) = ( 0.0568924 0.5355518 0.3917273), wk = 0.0036364 k( 179) = ( 0.0379283 0.5299562 0.3987589), wk = 0.0036364 k( 180) = ( 0.0189641 0.5243606 0.4057904), wk = 0.0036364 k( 181) = ( 0.0000000 0.5187650 0.4128220), wk = 0.0036364 k( 182) = ( 0.0000000 0.5187650 0.4128220), wk = 0.0036364 k( 183) = ( 0.0089286 0.5070323 0.4275657), wk = 0.0036364 k( 184) = ( 0.0178571 0.4952997 0.4423093), wk = 0.0036364 k( 185) = ( 0.0267857 0.4835670 0.4570530), wk = 0.0036364 k( 186) = ( 0.0357143 0.4718343 0.4717966), wk = 0.0036364 k( 187) = ( 0.0446429 0.4601016 0.4865403), wk = 0.0036364 k( 188) = ( 0.0535714 0.4483690 0.5012839), wk = 0.0036364 k( 189) = ( 0.0625000 0.4366363 0.5160276), wk = 0.0036364 k( 190) = ( 0.0714286 0.4249036 0.5307712), wk = 0.0036364 k( 191) = ( 0.0803571 0.4131710 0.5455148), wk = 0.0036364 k( 192) = ( 0.0892857 0.4014383 0.5602585), wk = 0.0036364 k( 193) = ( 0.0982143 0.3897056 0.5750021), wk = 0.0036364 k( 194) = ( 0.1071429 0.3779729 0.5897458), wk = 0.0036364 k( 195) = ( 0.1160714 0.3662402 0.6044894), wk = 0.0036364 k( 196) = ( 0.1250000 0.3545076 0.6192331), wk = 0.0036364 k( 197) = ( 0.1339286 0.3427749 0.6339767), wk = 0.0036364 k( 198) = ( 0.1428571 0.3310422 0.6487203), wk = 0.0036364 k( 199) = ( 0.1517857 0.3193096 0.6634640), wk = 0.0036364 k( 200) = ( 0.1607143 0.3075769 0.6782076), wk = 0.0036364 k( 201) = ( 0.1696429 0.2958442 0.6929513), wk = 0.0036364 k( 202) = ( 0.1785714 0.2841115 0.7076949), wk = 0.0036364 k( 203) = ( 0.1875000 0.2723788 0.7224386), wk = 0.0036364 k( 204) = ( 0.1964286 0.2606462 0.7371822), wk = 0.0036364 k( 205) = ( 0.2053571 0.2489135 0.7519259), wk = 0.0036364 k( 206) = ( 0.2142857 0.2371808 0.7666695), wk = 0.0036364 k( 207) = ( 0.2232143 0.2254481 0.7814132), wk = 0.0036364 k( 208) = ( 0.2321429 0.2137155 0.7961568), wk = 0.0036364 k( 209) = ( 0.2410714 0.2019828 0.8109004), wk = 0.0036364 k( 210) = ( 0.2500000 0.1902501 0.8256441), wk = 0.0036364 k( 211) = ( 0.2500000 0.1902501 0.8256441), wk = 0.0036364 k( 212) = ( 0.2631579 0.2002633 0.8130612), wk = 0.0036364 k( 213) = ( 0.2763158 0.2102765 0.8004784), wk = 0.0036364 k( 214) = ( 0.2894737 0.2202896 0.7878955), wk = 0.0036364 k( 215) = ( 0.3026316 0.2303028 0.7753127), wk = 0.0036364 k( 216) = ( 0.3157895 0.2403159 0.7627298), wk = 0.0036364 k( 217) = ( 0.3289474 0.2503291 0.7501470), wk = 0.0036364 k( 218) = ( 0.3421053 0.2603423 0.7375641), wk = 0.0036364 k( 219) = ( 0.3552632 0.2703554 0.7249813), wk = 0.0036364 k( 220) = ( 0.3684211 0.2803686 0.7123984), wk = 0.0036364 k( 221) = ( 0.3815789 0.2903818 0.6998155), wk = 0.0036364 k( 222) = ( 0.3947368 0.3003949 0.6872327), wk = 0.0036364 k( 223) = ( 0.4078947 0.3104081 0.6746498), wk = 0.0036364 k( 224) = ( 0.4210526 0.3204213 0.6620670), wk = 0.0036364 k( 225) = ( 0.4342105 0.3304344 0.6494841), wk = 0.0036364 k( 226) = ( 0.4473684 0.3404476 0.6369013), wk = 0.0036364 k( 227) = ( 0.4605263 0.3504608 0.6243184), wk = 0.0036364 k( 228) = ( 0.4736842 0.3604739 0.6117356), wk = 0.0036364 k( 229) = ( 0.4868421 0.3704871 0.5991527), wk = 0.0036364 k( 230) = ( 0.5000000 0.3805003 0.5865699), wk = 0.0036364 k( 231) = ( 0.5000000 0.3805003 0.5865699), wk = 0.0036364 k( 232) = ( 0.5000000 0.3805003 0.5656209), wk = 0.0036364 k( 233) = ( 0.5000000 0.3805003 0.5446720), wk = 0.0036364 k( 234) = ( 0.5000000 0.3805003 0.5237231), wk = 0.0036364 k( 235) = ( 0.5000000 0.3805003 0.5027742), wk = 0.0036364 k( 236) = ( 0.5000000 0.3805003 0.4818252), wk = 0.0036364 k( 237) = ( 0.5000000 0.3805003 0.4608763), wk = 0.0036364 k( 238) = ( 0.5000000 0.3805003 0.4399274), wk = 0.0036364 k( 239) = ( 0.5000000 0.3805003 0.4189785), wk = 0.0036364 k( 240) = ( 0.5000000 0.3805003 0.3980295), wk = 0.0036364 k( 241) = ( 0.5000000 0.3805003 0.3770806), wk = 0.0036364 k( 242) = ( 0.5000000 0.3805003 0.3561317), wk = 0.0036364 k( 243) = ( 0.5000000 0.3805003 0.3351828), wk = 0.0036364 k( 244) = ( 0.5000000 0.3805003 0.3142338), wk = 0.0036364 k( 245) = ( 0.5000000 0.3805003 0.2932849), wk = 0.0036364 k( 246) = ( 0.5000000 0.3805003 0.2723360), wk = 0.0036364 k( 247) = ( 0.5000000 0.3805003 0.2513871), wk = 0.0036364 k( 248) = ( 0.5000000 0.3805003 0.2304382), wk = 0.0036364 k( 249) = ( 0.5000000 0.3805003 0.2094892), wk = 0.0036364 k( 250) = ( 0.5000000 0.3805003 0.1885403), wk = 0.0036364 k( 251) = ( 0.5000000 0.3805003 0.1675914), wk = 0.0036364 k( 252) = ( 0.5000000 0.3805003 0.1466425), wk = 0.0036364 k( 253) = ( 0.5000000 0.3805003 0.1256935), wk = 0.0036364 k( 254) = ( 0.5000000 0.3805003 0.1047446), wk = 0.0036364 k( 255) = ( 0.5000000 0.3805003 0.0837957), wk = 0.0036364 k( 256) = ( 0.5000000 0.3805003 0.0628468), wk = 0.0036364 k( 257) = ( 0.5000000 0.3805003 0.0418979), wk = 0.0036364 k( 258) = ( 0.5000000 0.3805003 0.0209489), wk = 0.0036364 k( 259) = ( 0.5000000 0.3805003 0.0000000), wk = 0.0036364 k( 260) = ( 0.0000000 0.0000000 0.8256441), wk = 0.0036364 k( 261) = ( 0.0166667 0.0126833 0.8256441), wk = 0.0036364 k( 262) = ( 0.0333333 0.0253667 0.8256441), wk = 0.0036364 k( 263) = ( 0.0500000 0.0380500 0.8256441), wk = 0.0036364 k( 264) = ( 0.0666667 0.0507334 0.8256441), wk = 0.0036364 k( 265) = ( 0.0833333 0.0634167 0.8256441), wk = 0.0036364 k( 266) = ( 0.1000000 0.0761001 0.8256441), wk = 0.0036364 k( 267) = ( 0.1166667 0.0887834 0.8256441), wk = 0.0036364 k( 268) = ( 0.1333333 0.1014667 0.8256441), wk = 0.0036364 k( 269) = ( 0.1500000 0.1141501 0.8256441), wk = 0.0036364 k( 270) = ( 0.1666667 0.1268334 0.8256441), wk = 0.0036364 k( 271) = ( 0.1833333 0.1395168 0.8256441), wk = 0.0036364 k( 272) = ( 0.2000000 0.1522001 0.8256441), wk = 0.0036364 k( 273) = ( 0.2166667 0.1648834 0.8256441), wk = 0.0036364 k( 274) = ( 0.2333333 0.1775668 0.8256441), wk = 0.0036364 k( 275) = ( 0.2500000 0.1902501 0.8256441), wk = 0.0036364 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 2) = ( 0.0000000 0.0000000 0.0128205), wk = 0.0036364 k( 3) = ( 0.0000000 0.0000000 0.0256410), wk = 0.0036364 k( 4) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0036364 k( 5) = ( 0.0000000 0.0000000 0.0512821), wk = 0.0036364 k( 6) = ( 0.0000000 0.0000000 0.0641026), wk = 0.0036364 k( 7) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0036364 k( 8) = ( 0.0000000 0.0000000 0.0897436), wk = 0.0036364 k( 9) = ( 0.0000000 0.0000000 0.1025641), wk = 0.0036364 k( 10) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0036364 k( 11) = ( 0.0000000 0.0000000 0.1282051), wk = 0.0036364 k( 12) = ( 0.0000000 0.0000000 0.1410256), wk = 0.0036364 k( 13) = ( 0.0000000 0.0000000 0.1538462), wk = 0.0036364 k( 14) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0036364 k( 15) = ( 0.0000000 0.0000000 0.1794872), wk = 0.0036364 k( 16) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0036364 k( 17) = ( 0.0000000 0.0000000 0.2051282), wk = 0.0036364 k( 18) = ( 0.0000000 0.0000000 0.2179487), wk = 0.0036364 k( 19) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0036364 k( 20) = ( 0.0000000 0.0000000 0.2435897), wk = 0.0036364 k( 21) = ( 0.0000000 0.0000000 0.2564103), wk = 0.0036364 k( 22) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0036364 k( 23) = ( 0.0000000 0.0000000 0.2820513), wk = 0.0036364 k( 24) = ( 0.0000000 0.0000000 0.2948718), wk = 0.0036364 k( 25) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0036364 k( 26) = ( 0.0000000 0.0000000 0.3205128), wk = 0.0036364 k( 27) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0036364 k( 28) = ( 0.0000000 0.0000000 0.3461539), wk = 0.0036364 k( 29) = ( 0.0000000 0.0000000 0.3589744), wk = 0.0036364 k( 30) = ( 0.0000000 0.0000000 0.3717949), wk = 0.0036364 k( 31) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0036364 k( 32) = ( 0.0000000 0.0000000 0.3974359), wk = 0.0036364 k( 33) = ( 0.0000000 0.0000000 0.4102564), wk = 0.0036364 k( 34) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0036364 k( 35) = ( 0.0000000 0.0000000 0.4358974), wk = 0.0036364 k( 36) = ( 0.0000000 0.0000000 0.4487179), wk = 0.0036364 k( 37) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0036364 k( 38) = ( 0.0000000 0.0000000 0.4743590), wk = 0.0036364 k( 39) = ( 0.0000000 0.0000000 0.4871795), wk = 0.0036364 k( 40) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036364 k( 41) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036364 k( 42) = ( -0.0120650 0.0120650 0.5000000), wk = 0.0036364 k( 43) = ( -0.0241301 0.0241301 0.5000000), wk = 0.0036364 k( 44) = ( -0.0361951 0.0361951 0.5000000), wk = 0.0036364 k( 45) = ( -0.0482602 0.0482602 0.5000000), wk = 0.0036364 k( 46) = ( -0.0603252 0.0603252 0.5000000), wk = 0.0036364 k( 47) = ( -0.0723902 0.0723902 0.5000000), wk = 0.0036364 k( 48) = ( -0.0844553 0.0844553 0.5000000), wk = 0.0036364 k( 49) = ( -0.0965203 0.0965203 0.5000000), wk = 0.0036364 k( 50) = ( -0.1085853 0.1085853 0.5000000), wk = 0.0036364 k( 51) = ( -0.1206504 0.1206504 0.5000000), wk = 0.0036364 k( 52) = ( -0.1327154 0.1327154 0.5000000), wk = 0.0036364 k( 53) = ( -0.1447804 0.1447804 0.5000000), wk = 0.0036364 k( 54) = ( -0.1447804 0.1447804 0.5000000), wk = 0.0036364 k( 55) = ( -0.1536609 0.1536609 0.4911195), wk = 0.0036364 k( 56) = ( -0.1625414 0.1625414 0.4822390), wk = 0.0036364 k( 57) = ( -0.1714219 0.1714219 0.4733585), wk = 0.0036364 k( 58) = ( -0.1803024 0.1803024 0.4644780), wk = 0.0036364 k( 59) = ( -0.1891829 0.1891829 0.4555976), wk = 0.0036364 k( 60) = ( -0.1980634 0.1980634 0.4467171), wk = 0.0036364 k( 61) = ( -0.2069439 0.2069439 0.4378366), wk = 0.0036364 k( 62) = ( -0.2158243 0.2158243 0.4289561), wk = 0.0036364 k( 63) = ( -0.2247048 0.2247048 0.4200756), wk = 0.0036364 k( 64) = ( -0.2335853 0.2335853 0.4111951), wk = 0.0036364 k( 65) = ( -0.2424658 0.2424658 0.4023146), wk = 0.0036364 k( 66) = ( -0.2513463 0.2513463 0.3934341), wk = 0.0036364 k( 67) = ( -0.2602268 0.2602268 0.3845536), wk = 0.0036364 k( 68) = ( -0.2691073 0.2691073 0.3756732), wk = 0.0036364 k( 69) = ( -0.2779878 0.2779878 0.3667927), wk = 0.0036364 k( 70) = ( -0.2868683 0.2868683 0.3579122), wk = 0.0036364 k( 71) = ( -0.2957488 0.2957488 0.3490317), wk = 0.0036364 k( 72) = ( -0.3046292 0.3046292 0.3401512), wk = 0.0036364 k( 73) = ( -0.3135097 0.3135097 0.3312707), wk = 0.0036364 k( 74) = ( -0.3223902 0.3223902 0.3223902), wk = 0.0036364 k( 75) = ( -0.3223902 0.3223902 0.3223902), wk = 0.0036364 k( 76) = ( -0.3134349 0.3134349 0.3134349), wk = 0.0036364 k( 77) = ( -0.3044796 0.3044797 0.3044796), wk = 0.0036364 k( 78) = ( -0.2955244 0.2955244 0.2955244), wk = 0.0036364 k( 79) = ( -0.2865691 0.2865691 0.2865691), wk = 0.0036364 k( 80) = ( -0.2776138 0.2776138 0.2776138), wk = 0.0036364 k( 81) = ( -0.2686585 0.2686585 0.2686585), wk = 0.0036364 k( 82) = ( -0.2597032 0.2597032 0.2597032), wk = 0.0036364 k( 83) = ( -0.2507479 0.2507480 0.2507479), wk = 0.0036364 k( 84) = ( -0.2417927 0.2417927 0.2417927), wk = 0.0036364 k( 85) = ( -0.2328374 0.2328374 0.2328374), wk = 0.0036364 k( 86) = ( -0.2238821 0.2238821 0.2238821), wk = 0.0036364 k( 87) = ( -0.2149268 0.2149268 0.2149268), wk = 0.0036364 k( 88) = ( -0.2059715 0.2059715 0.2059715), wk = 0.0036364 k( 89) = ( -0.1970163 0.1970163 0.1970163), wk = 0.0036364 k( 90) = ( -0.1880610 0.1880610 0.1880610), wk = 0.0036364 k( 91) = ( -0.1791057 0.1791057 0.1791057), wk = 0.0036364 k( 92) = ( -0.1701504 0.1701504 0.1701504), wk = 0.0036364 k( 93) = ( -0.1611951 0.1611951 0.1611951), wk = 0.0036364 k( 94) = ( -0.1522398 0.1522398 0.1522398), wk = 0.0036364 k( 95) = ( -0.1432845 0.1432845 0.1432845), wk = 0.0036364 k( 96) = ( -0.1343293 0.1343293 0.1343293), wk = 0.0036364 k( 97) = ( -0.1253740 0.1253740 0.1253740), wk = 0.0036364 k( 98) = ( -0.1164187 0.1164187 0.1164187), wk = 0.0036364 k( 99) = ( -0.1074634 0.1074634 0.1074634), wk = 0.0036364 k( 100) = ( -0.0985081 0.0985081 0.0985081), wk = 0.0036364 k( 101) = ( -0.0895528 0.0895528 0.0895528), wk = 0.0036364 k( 102) = ( -0.0805976 0.0805976 0.0805976), wk = 0.0036364 k( 103) = ( -0.0716423 0.0716423 0.0716423), wk = 0.0036364 k( 104) = ( -0.0626870 0.0626870 0.0626870), wk = 0.0036364 k( 105) = ( -0.0537317 0.0537317 0.0537317), wk = 0.0036364 k( 106) = ( -0.0447764 0.0447764 0.0447764), wk = 0.0036364 k( 107) = ( -0.0358211 0.0358211 0.0358211), wk = 0.0036364 k( 108) = ( -0.0268659 0.0268659 0.0268659), wk = 0.0036364 k( 109) = ( -0.0179106 0.0179106 0.0179106), wk = 0.0036364 k( 110) = ( -0.0089553 0.0089553 0.0089553), wk = 0.0036364 k( 111) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 113) = ( 0.0166667 0.0166667 -0.0166667), wk = 0.0036364 k( 114) = ( 0.0333333 0.0333333 -0.0333333), wk = 0.0036364 k( 115) = ( 0.0500000 0.0500000 -0.0500000), wk = 0.0036364 k( 116) = ( 0.0666667 0.0666667 -0.0666667), wk = 0.0036364 k( 117) = ( 0.0833333 0.0833333 -0.0833333), wk = 0.0036364 k( 118) = ( 0.1000000 0.1000000 -0.1000000), wk = 0.0036364 k( 119) = ( 0.1166667 0.1166667 -0.1166667), wk = 0.0036364 k( 120) = ( 0.1333333 0.1333333 -0.1333333), wk = 0.0036364 k( 121) = ( 0.1500000 0.1500000 -0.1500000), wk = 0.0036364 k( 122) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0036364 k( 123) = ( 0.1833333 0.1833333 -0.1833333), wk = 0.0036364 k( 124) = ( 0.2000000 0.2000000 -0.2000000), wk = 0.0036364 k( 125) = ( 0.2166667 0.2166667 -0.2166667), wk = 0.0036364 k( 126) = ( 0.2333333 0.2333333 -0.2333333), wk = 0.0036364 k( 127) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0036364 k( 128) = ( 0.2666667 0.2666667 -0.2666667), wk = 0.0036364 k( 129) = ( 0.2833333 0.2833333 -0.2833333), wk = 0.0036364 k( 130) = ( 0.3000000 0.3000000 -0.3000000), wk = 0.0036364 k( 131) = ( 0.3166667 0.3166667 -0.3166667), wk = 0.0036364 k( 132) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0036364 k( 133) = ( 0.3500000 0.3500000 -0.3500000), wk = 0.0036364 k( 134) = ( 0.3666667 0.3666667 -0.3666667), wk = 0.0036364 k( 135) = ( 0.3833333 0.3833333 -0.3833333), wk = 0.0036364 k( 136) = ( 0.4000000 0.4000000 -0.4000000), wk = 0.0036364 k( 137) = ( 0.4166667 0.4166667 -0.4166667), wk = 0.0036364 k( 138) = ( 0.4333333 0.4333333 -0.4333333), wk = 0.0036364 k( 139) = ( 0.4500000 0.4500000 -0.4500000), wk = 0.0036364 k( 140) = ( 0.4666667 0.4666667 -0.4666667), wk = 0.0036364 k( 141) = ( 0.4833333 0.4833333 -0.4833333), wk = 0.0036364 k( 142) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036364 k( 143) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036364 k( 144) = ( 0.4911195 0.5088805 -0.4911195), wk = 0.0036364 k( 145) = ( 0.4822390 0.5177610 -0.4822390), wk = 0.0036364 k( 146) = ( 0.4733585 0.5266415 -0.4733585), wk = 0.0036364 k( 147) = ( 0.4644780 0.5355220 -0.4644780), wk = 0.0036364 k( 148) = ( 0.4555976 0.5444024 -0.4555976), wk = 0.0036364 k( 149) = ( 0.4467171 0.5532829 -0.4467171), wk = 0.0036364 k( 150) = ( 0.4378366 0.5621634 -0.4378366), wk = 0.0036364 k( 151) = ( 0.4289561 0.5710439 -0.4289561), wk = 0.0036364 k( 152) = ( 0.4200756 0.5799244 -0.4200756), wk = 0.0036364 k( 153) = ( 0.4111951 0.5888049 -0.4111951), wk = 0.0036364 k( 154) = ( 0.4023146 0.5976854 -0.4023146), wk = 0.0036364 k( 155) = ( 0.3934341 0.6065659 -0.3934341), wk = 0.0036364 k( 156) = ( 0.3845536 0.6154464 -0.3845536), wk = 0.0036364 k( 157) = ( 0.3756732 0.6243268 -0.3756732), wk = 0.0036364 k( 158) = ( 0.3667927 0.6332073 -0.3667927), wk = 0.0036364 k( 159) = ( 0.3579122 0.6420878 -0.3579122), wk = 0.0036364 k( 160) = ( 0.3490317 0.6509683 -0.3490317), wk = 0.0036364 k( 161) = ( 0.3401512 0.6598488 -0.3401512), wk = 0.0036364 k( 162) = ( 0.3312707 0.6687293 -0.3312707), wk = 0.0036364 k( 163) = ( 0.3223902 0.6776098 -0.3223902), wk = 0.0036364 k( 164) = ( 0.3223902 0.6776098 -0.3223902), wk = 0.0036364 k( 165) = ( 0.3034261 0.6671622 -0.3034261), wk = 0.0036364 k( 166) = ( 0.2844620 0.6567145 -0.2844620), wk = 0.0036364 k( 167) = ( 0.2654978 0.6462669 -0.2654978), wk = 0.0036364 k( 168) = ( 0.2465337 0.6358192 -0.2465337), wk = 0.0036364 k( 169) = ( 0.2275696 0.6253716 -0.2275696), wk = 0.0036364 k( 170) = ( 0.2086054 0.6149240 -0.2086054), wk = 0.0036364 k( 171) = ( 0.1896413 0.6044763 -0.1896413), wk = 0.0036364 k( 172) = ( 0.1706772 0.5940287 -0.1706772), wk = 0.0036364 k( 173) = ( 0.1517130 0.5835811 -0.1517130), wk = 0.0036364 k( 174) = ( 0.1327489 0.5731334 -0.1327489), wk = 0.0036364 k( 175) = ( 0.1137848 0.5626858 -0.1137848), wk = 0.0036364 k( 176) = ( 0.0948207 0.5522382 -0.0948207), wk = 0.0036364 k( 177) = ( 0.0758565 0.5417905 -0.0758565), wk = 0.0036364 k( 178) = ( 0.0568924 0.5313429 -0.0568924), wk = 0.0036364 k( 179) = ( 0.0379283 0.5208953 -0.0379283), wk = 0.0036364 k( 180) = ( 0.0189641 0.5104476 -0.0189641), wk = 0.0036364 k( 181) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036364 k( 182) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036364 k( 183) = ( 0.0089286 0.4910714 0.0089286), wk = 0.0036364 k( 184) = ( 0.0178571 0.4821429 0.0178571), wk = 0.0036364 k( 185) = ( 0.0267857 0.4732143 0.0267857), wk = 0.0036364 k( 186) = ( 0.0357143 0.4642857 0.0357143), wk = 0.0036364 k( 187) = ( 0.0446429 0.4553571 0.0446429), wk = 0.0036364 k( 188) = ( 0.0535714 0.4464286 0.0535714), wk = 0.0036364 k( 189) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0036364 k( 190) = ( 0.0714286 0.4285714 0.0714286), wk = 0.0036364 k( 191) = ( 0.0803571 0.4196429 0.0803571), wk = 0.0036364 k( 192) = ( 0.0892857 0.4107143 0.0892857), wk = 0.0036364 k( 193) = ( 0.0982143 0.4017857 0.0982143), wk = 0.0036364 k( 194) = ( 0.1071429 0.3928571 0.1071429), wk = 0.0036364 k( 195) = ( 0.1160714 0.3839286 0.1160714), wk = 0.0036364 k( 196) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0036364 k( 197) = ( 0.1339286 0.3660714 0.1339286), wk = 0.0036364 k( 198) = ( 0.1428571 0.3571429 0.1428571), wk = 0.0036364 k( 199) = ( 0.1517857 0.3482143 0.1517857), wk = 0.0036364 k( 200) = ( 0.1607143 0.3392857 0.1607143), wk = 0.0036364 k( 201) = ( 0.1696429 0.3303571 0.1696429), wk = 0.0036364 k( 202) = ( 0.1785714 0.3214286 0.1785714), wk = 0.0036364 k( 203) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0036364 k( 204) = ( 0.1964286 0.3035714 0.1964286), wk = 0.0036364 k( 205) = ( 0.2053571 0.2946429 0.2053571), wk = 0.0036364 k( 206) = ( 0.2142857 0.2857143 0.2142857), wk = 0.0036364 k( 207) = ( 0.2232143 0.2767857 0.2232143), wk = 0.0036364 k( 208) = ( 0.2321429 0.2678571 0.2321429), wk = 0.0036364 k( 209) = ( 0.2410714 0.2589286 0.2410714), wk = 0.0036364 k( 210) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036364 k( 211) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036364 k( 212) = ( 0.2631579 0.2631579 0.2292221), wk = 0.0036364 k( 213) = ( 0.2763158 0.2763158 0.2084442), wk = 0.0036364 k( 214) = ( 0.2894737 0.2894737 0.1876663), wk = 0.0036364 k( 215) = ( 0.3026316 0.3026316 0.1668883), wk = 0.0036364 k( 216) = ( 0.3157895 0.3157895 0.1461104), wk = 0.0036364 k( 217) = ( 0.3289474 0.3289474 0.1253325), wk = 0.0036364 k( 218) = ( 0.3421053 0.3421053 0.1045546), wk = 0.0036364 k( 219) = ( 0.3552632 0.3552632 0.0837767), wk = 0.0036364 k( 220) = ( 0.3684211 0.3684211 0.0629987), wk = 0.0036364 k( 221) = ( 0.3815789 0.3815789 0.0422208), wk = 0.0036364 k( 222) = ( 0.3947368 0.3947368 0.0214429), wk = 0.0036364 k( 223) = ( 0.4078947 0.4078947 0.0006650), wk = 0.0036364 k( 224) = ( 0.4210526 0.4210526 -0.0201129), wk = 0.0036364 k( 225) = ( 0.4342105 0.4342105 -0.0408908), wk = 0.0036364 k( 226) = ( 0.4473684 0.4473684 -0.0616688), wk = 0.0036364 k( 227) = ( 0.4605263 0.4605263 -0.0824467), wk = 0.0036364 k( 228) = ( 0.4736842 0.4736842 -0.1032246), wk = 0.0036364 k( 229) = ( 0.4868421 0.4868421 -0.1240025), wk = 0.0036364 k( 230) = ( 0.5000000 0.5000000 -0.1447804), wk = 0.0036364 k( 231) = ( 0.5000000 0.5000000 -0.1447804), wk = 0.0036364 k( 232) = ( 0.5000000 0.5000000 -0.1574668), wk = 0.0036364 k( 233) = ( 0.5000000 0.5000000 -0.1701533), wk = 0.0036364 k( 234) = ( 0.5000000 0.5000000 -0.1828397), wk = 0.0036364 k( 235) = ( 0.5000000 0.5000000 -0.1955261), wk = 0.0036364 k( 236) = ( 0.5000000 0.5000000 -0.2082125), wk = 0.0036364 k( 237) = ( 0.5000000 0.5000000 -0.2208989), wk = 0.0036364 k( 238) = ( 0.5000000 0.5000000 -0.2335853), wk = 0.0036364 k( 239) = ( 0.5000000 0.5000000 -0.2462717), wk = 0.0036364 k( 240) = ( 0.5000000 0.5000000 -0.2589582), wk = 0.0036364 k( 241) = ( 0.5000000 0.5000000 -0.2716446), wk = 0.0036364 k( 242) = ( 0.5000000 0.5000000 -0.2843310), wk = 0.0036364 k( 243) = ( 0.5000000 0.5000000 -0.2970174), wk = 0.0036364 k( 244) = ( 0.5000000 0.5000000 -0.3097038), wk = 0.0036364 k( 245) = ( 0.5000000 0.5000000 -0.3223902), wk = 0.0036364 k( 246) = ( 0.5000000 0.5000000 -0.3350766), wk = 0.0036364 k( 247) = ( 0.5000000 0.5000000 -0.3477631), wk = 0.0036364 k( 248) = ( 0.5000000 0.5000000 -0.3604495), wk = 0.0036364 k( 249) = ( 0.5000000 0.5000000 -0.3731359), wk = 0.0036364 k( 250) = ( 0.5000000 0.5000000 -0.3858223), wk = 0.0036364 k( 251) = ( 0.5000000 0.5000000 -0.3985087), wk = 0.0036364 k( 252) = ( 0.5000000 0.5000000 -0.4111951), wk = 0.0036364 k( 253) = ( 0.5000000 0.5000000 -0.4238815), wk = 0.0036364 k( 254) = ( 0.5000000 0.5000000 -0.4365679), wk = 0.0036364 k( 255) = ( 0.5000000 0.5000000 -0.4492544), wk = 0.0036364 k( 256) = ( 0.5000000 0.5000000 -0.4619408), wk = 0.0036364 k( 257) = ( 0.5000000 0.5000000 -0.4746272), wk = 0.0036364 k( 258) = ( 0.5000000 0.5000000 -0.4873136), wk = 0.0036364 k( 259) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036364 k( 260) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036364 k( 261) = ( 0.0166667 0.0166667 0.4833333), wk = 0.0036364 k( 262) = ( 0.0333333 0.0333333 0.4666667), wk = 0.0036364 k( 263) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0036364 k( 264) = ( 0.0666667 0.0666667 0.4333333), wk = 0.0036364 k( 265) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0036364 k( 266) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0036364 k( 267) = ( 0.1166667 0.1166667 0.3833333), wk = 0.0036364 k( 268) = ( 0.1333333 0.1333333 0.3666667), wk = 0.0036364 k( 269) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0036364 k( 270) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0036364 k( 271) = ( 0.1833333 0.1833333 0.3166667), wk = 0.0036364 k( 272) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0036364 k( 273) = ( 0.2166667 0.2166667 0.2833333), wk = 0.0036364 k( 274) = ( 0.2333333 0.2333333 0.2666667), wk = 0.0036364 k( 275) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036364 Dense grid: 324645 G-vectors FFT dimensions: ( 108, 108, 108) Smooth grid: 37611 G-vectors FFT dimensions: ( 50, 50, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.16 Mb ( 214, 50) NL pseudopotentials 0.21 Mb ( 107, 130) Each V/rho on FFT grid 0.53 Mb ( 34992) Each G-vector array 0.05 Mb ( 6765) G-vector shells 0.02 Mb ( 3129) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.65 Mb ( 214, 200) Each subspace H/S matrix 0.61 Mb ( 200, 200) Each matrix 0.20 Mb ( 130, 2, 50) The potential is recalculated from file : ./Al2CdSe4.save/charge-density.dat Starting wfc are 66 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 47.4 secs Computing kpt #: 2 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 53.2 secs Computing kpt #: 3 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 58.9 secs Computing kpt #: 4 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 64.4 secs Computing kpt #: 5 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 69.7 secs Computing kpt #: 6 total cpu time spent up to now is 74.5 secs Computing kpt #: 7 total cpu time spent up to now is 79.4 secs Computing kpt #: 8 total cpu time spent up to now is 83.7 secs Computing kpt #: 9 total cpu time spent up to now is 87.5 secs Computing kpt #: 10 total cpu time spent up to now is 91.3 secs Computing kpt #: 11 total cpu time spent up to now is 95.0 secs Computing kpt #: 12 total cpu time spent up to now is 98.3 secs Computing kpt #: 13 total cpu time spent up to now is 101.6 secs Computing kpt #: 14 total cpu time spent up to now is 104.8 secs Computing kpt #: 15 total cpu time spent up to now is 108.0 secs Computing kpt #: 16 total cpu time spent up to now is 111.3 secs Computing kpt #: 17 total cpu time spent up to now is 114.5 secs Computing kpt #: 18 total cpu time spent up to now is 117.8 secs Computing kpt #: 19 total cpu time spent up to now is 121.1 secs Computing kpt #: 20 total cpu time spent up to now is 124.4 secs Computing kpt #: 21 total cpu time spent up to now is 127.8 secs Computing kpt #: 22 total cpu time spent up to now is 131.1 secs Computing kpt #: 23 total cpu time spent up to now is 134.5 secs Computing kpt #: 24 total cpu time spent up to now is 137.8 secs Computing kpt #: 25 total cpu time spent up to now is 141.2 secs Computing kpt #: 26 total cpu time spent up to now is 144.7 secs Computing kpt #: 27 total cpu time spent up to now is 148.0 secs Computing kpt #: 28 total cpu time spent up to now is 151.3 secs Computing kpt #: 29 total cpu time spent up to now is 154.9 secs Computing kpt #: 30 total cpu time spent up to now is 158.1 secs Computing kpt #: 31 total cpu time spent up to now is 161.4 secs Computing kpt #: 32 total cpu time spent up to now is 164.6 secs Computing kpt #: 33 total cpu time spent up to now is 169.2 secs Computing kpt #: 34 total cpu time spent up to now is 173.8 secs Computing kpt #: 35 total cpu time spent up to now is 177.1 secs Computing kpt #: 36 total cpu time spent up to now is 180.5 secs Computing kpt #: 37 total cpu time spent up to now is 183.7 secs Computing kpt #: 38 total cpu time spent up to now is 188.2 secs Computing kpt #: 39 total cpu time spent up to now is 191.7 secs Computing kpt #: 40 total cpu time spent up to now is 194.9 secs Computing kpt #: 41 total cpu time spent up to now is 198.1 secs Computing kpt #: 42 total cpu time spent up to now is 201.4 secs Computing kpt #: 43 total cpu time spent up to now is 204.6 secs Computing kpt #: 44 total cpu time spent up to now is 207.9 secs Computing kpt #: 45 total cpu time spent up to now is 211.2 secs Computing kpt #: 46 total cpu time spent up to now is 214.6 secs Computing kpt #: 47 total cpu time spent up to now is 218.0 secs Computing kpt #: 48 total cpu time spent up to now is 221.4 secs Computing kpt #: 49 total cpu time spent up to now is 224.9 secs Computing kpt #: 50 total cpu time spent up to now is 228.4 secs Computing kpt #: 51 total cpu time spent up to now is 231.8 secs Computing kpt #: 52 total cpu time spent up to now is 235.2 secs Computing kpt #: 53 total cpu time spent up to now is 238.6 secs Computing kpt #: 54 total cpu time spent up to now is 242.0 secs Computing kpt #: 55 total cpu time spent up to now is 245.4 secs Computing kpt #: 56 total cpu time spent up to now is 249.0 secs Computing kpt #: 57 total cpu time spent up to now is 252.5 secs Computing kpt #: 58 total cpu time spent up to now is 256.2 secs Computing kpt #: 59 total cpu time spent up to now is 259.3 secs Computing kpt #: 60 total cpu time spent up to now is 262.4 secs Computing kpt #: 61 total cpu time spent up to now is 265.5 secs Computing kpt #: 62 total cpu time spent up to now is 268.4 secs Computing kpt #: 63 total cpu time spent up to now is 271.4 secs Computing kpt #: 64 total cpu time spent up to now is 274.5 secs Computing kpt #: 65 total cpu time spent up to now is 277.5 secs Computing kpt #: 66 total cpu time spent up to now is 280.4 secs Computing kpt #: 67 total cpu time spent up to now is 283.5 secs Computing kpt #: 68 total cpu time spent up to now is 286.5 secs Computing kpt #: 69 total cpu time spent up to now is 289.5 secs Computing kpt #: 70 total cpu time spent up to now is 292.6 secs Computing kpt #: 71 total cpu time spent up to now is 295.7 secs Computing kpt #: 72 total cpu time spent up to now is 298.8 secs Computing kpt #: 73 total cpu time spent up to now is 301.9 secs Computing kpt #: 74 total cpu time spent up to now is 305.2 secs Computing kpt #: 75 total cpu time spent up to now is 308.3 secs Computing kpt #: 76 total cpu time spent up to now is 311.7 secs Computing kpt #: 77 total cpu time spent up to now is 315.0 secs Computing kpt #: 78 total cpu time spent up to now is 318.2 secs Computing kpt #: 79 total cpu time spent up to now is 321.3 secs Computing kpt #: 80 total cpu time spent up to now is 324.4 secs Computing kpt #: 81 total cpu time spent up to now is 327.5 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 333.6 secs Computing kpt #: 84 total cpu time spent up to now is 336.9 secs Computing kpt #: 85 total cpu time spent up to now is 340.1 secs Computing kpt #: 86 total cpu time spent up to now is 343.5 secs Computing kpt #: 87 total cpu time spent up to now is 347.4 secs Computing kpt #: 88 total cpu time spent up to now is 350.8 secs Computing kpt #: 89 total cpu time spent up to now is 355.0 secs Computing kpt #: 90 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 360.4 secs Computing kpt #: 91 total cpu time spent up to now is 364.3 secs Computing kpt #: 92 total cpu time spent up to now is 368.1 secs Computing kpt #: 93 total cpu time spent up to now is 371.6 secs Computing kpt #: 94 total cpu time spent up to now is 375.0 secs Computing kpt #: 95 total cpu time spent up to now is 378.3 secs Computing kpt #: 96 total cpu time spent up to now is 381.6 secs Computing kpt #: 97 total cpu time spent up to now is 384.8 secs Computing kpt #: 98 total cpu time spent up to now is 388.0 secs Computing kpt #: 99 total cpu time spent up to now is 391.3 secs Computing kpt #: 100 total cpu time spent up to now is 394.8 secs Computing kpt #: 101 total cpu time spent up to now is 398.2 secs Computing kpt #: 102 total cpu time spent up to now is 401.7 secs Computing kpt #: 103 total cpu time spent up to now is 405.6 secs Computing kpt #: 104 total cpu time spent up to now is 409.9 secs Computing kpt #: 105 total cpu time spent up to now is 414.6 secs Computing kpt #: 106 total cpu time spent up to now is 419.6 secs Computing kpt #: 107 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 425.0 secs Computing kpt #: 108 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 430.4 secs Computing kpt #: 109 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 435.9 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 441.3 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 446.7 secs Computing kpt #: 112 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 452.0 secs Computing kpt #: 113 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 457.3 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 462.7 secs Computing kpt #: 115 total cpu time spent up to now is 468.7 secs Computing kpt #: 116 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 475.7 secs Computing kpt #: 117 total cpu time spent up to now is 480.7 secs Computing kpt #: 118 total cpu time spent up to now is 484.4 secs Computing kpt #: 119 total cpu time spent up to now is 488.2 secs Computing kpt #: 120 total cpu time spent up to now is 491.6 secs Computing kpt #: 121 total cpu time spent up to now is 495.0 secs Computing kpt #: 122 total cpu time spent up to now is 498.5 secs Computing kpt #: 123 total cpu time spent up to now is 501.9 secs Computing kpt #: 124 total cpu time spent up to now is 505.2 secs Computing kpt #: 125 total cpu time spent up to now is 508.6 secs Computing kpt #: 126 total cpu time spent up to now is 512.0 secs Computing kpt #: 127 total cpu time spent up to now is 515.4 secs Computing kpt #: 128 total cpu time spent up to now is 518.7 secs Computing kpt #: 129 total cpu time spent up to now is 521.7 secs Computing kpt #: 130 total cpu time spent up to now is 525.0 secs Computing kpt #: 131 total cpu time spent up to now is 528.4 secs Computing kpt #: 132 total cpu time spent up to now is 531.7 secs Computing kpt #: 133 total cpu time spent up to now is 534.7 secs Computing kpt #: 134 total cpu time spent up to now is 538.0 secs Computing kpt #: 135 total cpu time spent up to now is 541.1 secs Computing kpt #: 136 total cpu time spent up to now is 544.5 secs Computing kpt #: 137 total cpu time spent up to now is 548.0 secs Computing kpt #: 138 total cpu time spent up to now is 551.1 secs Computing kpt #: 139 total cpu time spent up to now is 554.1 secs Computing kpt #: 140 total cpu time spent up to now is 557.1 secs Computing kpt #: 141 total cpu time spent up to now is 560.1 secs Computing kpt #: 142 total cpu time spent up to now is 563.0 secs Computing kpt #: 143 total cpu time spent up to now is 565.9 secs Computing kpt #: 144 total cpu time spent up to now is 568.8 secs Computing kpt #: 145 total cpu time spent up to now is 571.8 secs Computing kpt #: 146 total cpu time spent up to now is 574.9 secs Computing kpt #: 147 total cpu time spent up to now is 577.9 secs Computing kpt #: 148 total cpu time spent up to now is 581.3 secs Computing kpt #: 149 total cpu time spent up to now is 584.6 secs Computing kpt #: 150 total cpu time spent up to now is 588.1 secs Computing kpt #: 151 total cpu time spent up to now is 591.1 secs Computing kpt #: 152 total cpu time spent up to now is 594.3 secs Computing kpt #: 153 total cpu time spent up to now is 597.4 secs Computing kpt #: 154 total cpu time spent up to now is 600.7 secs Computing kpt #: 155 total cpu time spent up to now is 603.8 secs Computing kpt #: 156 total cpu time spent up to now is 607.0 secs Computing kpt #: 157 total cpu time spent up to now is 610.1 secs Computing kpt #: 158 total cpu time spent up to now is 613.2 secs Computing kpt #: 159 total cpu time spent up to now is 616.6 secs Computing kpt #: 160 total cpu time spent up to now is 619.6 secs Computing kpt #: 161 total cpu time spent up to now is 622.8 secs Computing kpt #: 162 total cpu time spent up to now is 625.8 secs Computing kpt #: 163 total cpu time spent up to now is 629.0 secs Computing kpt #: 164 total cpu time spent up to now is 632.1 secs Computing kpt #: 165 total cpu time spent up to now is 635.1 secs Computing kpt #: 166 total cpu time spent up to now is 638.2 secs Computing kpt #: 167 total cpu time spent up to now is 641.3 secs Computing kpt #: 168 total cpu time spent up to now is 644.4 secs Computing kpt #: 169 total cpu time spent up to now is 647.4 secs Computing kpt #: 170 total cpu time spent up to now is 650.3 secs Computing kpt #: 171 total cpu time spent up to now is 653.4 secs Computing kpt #: 172 total cpu time spent up to now is 656.4 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 662.3 secs Computing kpt #: 175 total cpu time spent up to now is 665.4 secs Computing kpt #: 176 total cpu time spent up to now is 668.4 secs Computing kpt #: 177 total cpu time spent up to now is 671.6 secs Computing kpt #: 178 total cpu time spent up to now is 674.7 secs Computing kpt #: 179 total cpu time spent up to now is 677.8 secs Computing kpt #: 180 total cpu time spent up to now is 680.9 secs Computing kpt #: 181 total cpu time spent up to now is 684.3 secs Computing kpt #: 182 total cpu time spent up to now is 687.6 secs Computing kpt #: 183 total cpu time spent up to now is 690.7 secs Computing kpt #: 184 total cpu time spent up to now is 694.1 secs Computing kpt #: 185 total cpu time spent up to now is 697.5 secs Computing kpt #: 186 total cpu time spent up to now is 700.8 secs Computing kpt #: 187 total cpu time spent up to now is 704.1 secs Computing kpt #: 188 total cpu time spent up to now is 707.5 secs Computing kpt #: 189 total cpu time spent up to now is 710.8 secs Computing kpt #: 190 total cpu time spent up to now is 714.2 secs Computing kpt #: 191 total cpu time spent up to now is 717.6 secs Computing kpt #: 192 total cpu time spent up to now is 720.9 secs Computing kpt #: 193 total cpu time spent up to now is 724.3 secs Computing kpt #: 194 total cpu time spent up to now is 727.7 secs Computing kpt #: 195 total cpu time spent up to now is 731.0 secs Computing kpt #: 196 total cpu time spent up to now is 734.5 secs Computing kpt #: 197 total cpu time spent up to now is 737.8 secs Computing kpt #: 198 total cpu time spent up to now is 741.3 secs Computing kpt #: 199 total cpu time spent up to now is 744.6 secs Computing kpt #: 200 total cpu time spent up to now is 748.0 secs Computing kpt #: 201 total cpu time spent up to now is 751.3 secs Computing kpt #: 202 total cpu time spent up to now is 754.7 secs Computing kpt #: 203 total cpu time spent up to now is 758.2 secs Computing kpt #: 204 total cpu time spent up to now is 761.5 secs Computing kpt #: 205 total cpu time spent up to now is 764.9 secs Computing kpt #: 206 total cpu time spent up to now is 769.8 secs Computing kpt #: 207 total cpu time spent up to now is 774.3 secs Computing kpt #: 208 total cpu time spent up to now is 777.5 secs Computing kpt #: 209 total cpu time spent up to now is 780.8 secs Computing kpt #: 210 total cpu time spent up to now is 784.0 secs Computing kpt #: 211 total cpu time spent up to now is 787.1 secs Computing kpt #: 212 total cpu time spent up to now is 790.4 secs Computing kpt #: 213 total cpu time spent up to now is 793.6 secs Computing kpt #: 214 total cpu time spent up to now is 796.9 secs Computing kpt #: 215 total cpu time spent up to now is 800.2 secs Computing kpt #: 216 total cpu time spent up to now is 803.4 secs Computing kpt #: 217 total cpu time spent up to now is 806.9 secs Computing kpt #: 218 total cpu time spent up to now is 810.3 secs Computing kpt #: 219 total cpu time spent up to now is 813.7 secs Computing kpt #: 220 total cpu time spent up to now is 817.1 secs Computing kpt #: 221 total cpu time spent up to now is 820.6 secs Computing kpt #: 222 total cpu time spent up to now is 824.0 secs Computing kpt #: 223 total cpu time spent up to now is 827.6 secs Computing kpt #: 224 total cpu time spent up to now is 831.0 secs Computing kpt #: 225 total cpu time spent up to now is 834.6 secs Computing kpt #: 226 total cpu time spent up to now is 838.0 secs Computing kpt #: 227 total cpu time spent up to now is 841.4 secs Computing kpt #: 228 total cpu time spent up to now is 844.8 secs Computing kpt #: 229 total cpu time spent up to now is 848.1 secs Computing kpt #: 230 total cpu time spent up to now is 851.5 secs Computing kpt #: 231 total cpu time spent up to now is 854.7 secs Computing kpt #: 232 total cpu time spent up to now is 858.1 secs Computing kpt #: 233 total cpu time spent up to now is 861.5 secs Computing kpt #: 234 total cpu time spent up to now is 864.9 secs Computing kpt #: 235 total cpu time spent up to now is 868.3 secs Computing kpt #: 236 total cpu time spent up to now is 871.6 secs Computing kpt #: 237 total cpu time spent up to now is 874.6 secs Computing kpt #: 238 total cpu time spent up to now is 877.9 secs Computing kpt #: 239 total cpu time spent up to now is 880.9 secs Computing kpt #: 240 total cpu time spent up to now is 884.2 secs Computing kpt #: 241 total cpu time spent up to now is 887.3 secs Computing kpt #: 242 total cpu time spent up to now is 890.7 secs Computing kpt #: 243 total cpu time spent up to now is 893.8 secs Computing kpt #: 244 total cpu time spent up to now is 896.9 secs Computing kpt #: 245 total cpu time spent up to now is 900.3 secs Computing kpt #: 246 total cpu time spent up to now is 903.7 secs Computing kpt #: 247 total cpu time spent up to now is 907.1 secs Computing kpt #: 248 total cpu time spent up to now is 910.6 secs Computing kpt #: 249 total cpu time spent up to now is 913.9 secs Computing kpt #: 250 total cpu time spent up to now is 917.5 secs Computing kpt #: 251 total cpu time spent up to now is 920.6 secs Computing kpt #: 252 total cpu time spent up to now is 923.7 secs Computing kpt #: 253 total cpu time spent up to now is 927.2 secs Computing kpt #: 254 total cpu time spent up to now is 930.2 secs Computing kpt #: 255 total cpu time spent up to now is 933.4 secs Computing kpt #: 256 total cpu time spent up to now is 936.5 secs Computing kpt #: 257 total cpu time spent up to now is 939.5 secs Computing kpt #: 258 total cpu time spent up to now is 942.5 secs Computing kpt #: 259 total cpu time spent up to now is 945.7 secs Computing kpt #: 260 total cpu time spent up to now is 948.9 secs Computing kpt #: 261 total cpu time spent up to now is 952.1 secs Computing kpt #: 262 total cpu time spent up to now is 955.6 secs Computing kpt #: 263 total cpu time spent up to now is 958.9 secs Computing kpt #: 264 total cpu time spent up to now is 962.2 secs Computing kpt #: 265 total cpu time spent up to now is 965.5 secs Computing kpt #: 266 total cpu time spent up to now is 968.7 secs Computing kpt #: 267 total cpu time spent up to now is 972.0 secs Computing kpt #: 268 total cpu time spent up to now is 975.3 secs Computing kpt #: 269 total cpu time spent up to now is 978.6 secs Computing kpt #: 270 total cpu time spent up to now is 981.9 secs Computing kpt #: 271 total cpu time spent up to now is 985.1 secs Computing kpt #: 272 total cpu time spent up to now is 988.4 secs Computing kpt #: 273 total cpu time spent up to now is 991.6 secs Computing kpt #: 274 total cpu time spent up to now is 994.8 secs Computing kpt #: 275 total cpu time spent up to now is 998.1 secs ethr = 2.38E-11, avg # of iterations = 49.1 total cpu time spent up to now is 998.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4699 PWs) bands (ev): -8.5395 -8.5395 -7.3150 -7.3150 -7.3147 -7.3147 -7.2387 -7.2387 -3.4502 -3.4502 -3.4408 -3.4408 -2.8030 -2.8030 -2.7952 -2.7952 -2.7688 -2.7688 -1.0853 -1.0853 0.2629 0.2629 1.1561 1.1561 1.3023 1.3023 1.3787 1.3787 1.8225 1.8225 2.1643 2.1643 2.9554 2.9554 3.0374 3.0374 4.0546 4.0546 4.4261 4.4261 4.4377 4.4377 6.6495 6.6495 7.4037 7.4037 8.3538 8.3538 9.9615 9.9615 k = 0.0000 0.0000 0.0212 ( 4701 PWs) bands (ev): -8.5388 -8.5388 -7.3155 -7.3155 -7.3152 -7.3151 -7.2387 -7.2387 -3.4505 -3.4503 -3.4409 -3.4404 -2.8035 -2.8027 -2.7967 -2.7935 -2.7702 -2.7676 -1.0854 -1.0843 0.2585 0.2660 1.1410 1.1629 1.2921 1.3179 1.3657 1.3959 1.8160 1.8343 2.1632 2.1649 2.9526 2.9588 3.0358 3.0389 4.0477 4.0561 4.4192 4.4263 4.4334 4.4347 6.6574 6.6591 7.4074 7.4076 8.3557 8.3596 9.9573 9.9591 k = 0.0000 0.0000 0.0423 ( 4713 PWs) bands (ev): -8.5367 -8.5367 -7.3173 -7.3172 -7.3164 -7.3162 -7.2388 -7.2386 -3.4512 -3.4506 -3.4408 -3.4398 -2.8040 -2.8026 -2.7982 -2.7919 -2.7717 -2.7665 -1.0846 -1.0824 0.2529 0.2676 1.1218 1.1609 1.2826 1.3378 1.3578 1.4189 1.8153 1.8509 2.1616 2.1650 2.9499 2.9628 3.0344 3.0409 4.0348 4.0523 4.4000 4.4161 4.4260 4.4309 6.6823 6.6856 7.4187 7.4191 8.3653 8.3731 9.9413 9.9509 k = 0.0000 0.0000 0.0635 ( 4725 PWs) bands (ev): -8.5333 -8.5333 -7.3202 -7.3201 -7.3183 -7.3180 -7.2388 -7.2386 -3.4521 -3.4513 -3.4404 -3.4393 -2.8047 -2.8030 -2.7991 -2.7904 -2.7733 -2.7656 -1.0829 -1.0797 0.2458 0.2673 1.1030 1.1542 1.2705 1.3346 1.3786 1.4474 1.8204 1.8713 2.1593 2.1641 2.9464 2.9666 3.0348 3.0447 4.0149 4.0430 4.3686 4.3928 4.4206 4.4275 6.7229 6.7273 7.4374 7.4381 8.3826 8.3943 9.9150 9.9357 k = 0.0000 0.0000 0.0847 ( 4725 PWs) bands (ev): -8.5285 -8.5284 -7.3242 -7.3240 -7.3209 -7.3206 -7.2390 -7.2387 -3.4534 -3.4520 -3.4398 -3.4388 -2.8055 -2.8039 -2.7995 -2.7890 -2.7749 -2.7649 -1.0803 -1.0762 0.2369 0.2645 1.0880 1.1473 1.2554 1.3197 1.4129 1.4798 1.8308 1.8947 2.1559 2.1618 2.9417 2.9689 3.0390 3.0516 3.9867 4.0273 4.3287 4.3631 4.4141 4.4231 6.7769 6.7819 7.4631 7.4644 8.4076 8.4231 9.8821 9.9122 k = 0.0000 0.0000 0.1059 ( 4729 PWs) bands (ev): -8.5223 -8.5223 -7.3293 -7.3291 -7.3241 -7.3238 -7.2392 -7.2389 -3.4549 -3.4528 -3.4393 -3.4383 -2.8068 -2.8049 -2.7995 -2.7877 -2.7764 -2.7642 -1.0769 -1.0722 0.2259 0.2587 1.0788 1.1432 1.2379 1.3020 1.4493 1.5142 1.8461 1.9204 2.1509 2.1577 2.9364 2.9692 3.0486 3.0624 3.9489 4.0039 4.2841 4.3305 4.4062 4.4174 6.8418 6.8468 7.4957 7.4980 8.4401 8.4595 9.8442 9.8811 k = 0.0000 0.0000 0.1270 ( 4745 PWs) bands (ev): -8.5148 -8.5148 -7.3353 -7.3350 -7.3281 -7.3276 -7.2397 -7.2394 -3.4565 -3.4537 -3.4389 -3.4376 -2.8086 -2.8058 -2.7995 -2.7867 -2.7775 -2.7636 -1.0728 -1.0675 0.2124 0.2491 1.0769 1.1438 1.2191 1.2831 1.4851 1.5491 1.8655 1.9473 2.1444 2.1516 2.9316 2.9683 3.0636 3.0768 3.9012 3.9711 4.2386 4.2977 4.3971 4.4104 6.9145 6.9190 7.5350 7.5386 8.4801 8.5032 9.8027 9.8439 k = 0.0000 0.0000 0.1482 ( 4743 PWs) bands (ev): -8.5060 -8.5059 -7.3422 -7.3419 -7.3326 -7.3321 -7.2403 -7.2400 -3.4583 -3.4545 -3.4389 -3.4367 -2.8105 -2.8067 -2.7996 -2.7861 -2.7780 -2.7631 -1.0680 -1.0624 0.1961 0.2355 1.0831 1.1496 1.2002 1.2641 1.5183 1.5826 1.8880 1.9742 2.1371 2.1443 2.9290 2.9679 3.0830 3.0943 3.8440 3.9280 4.1957 4.2661 4.3867 4.4022 6.9924 6.9958 7.5808 7.5860 8.5271 8.5540 9.7588 9.8026 k = 0.0000 0.0000 0.1694 ( 4751 PWs) bands (ev): -8.4959 -8.4958 -7.3500 -7.3496 -7.3377 -7.3372 -7.2413 -7.2409 -3.4600 -3.4554 -3.4390 -3.4357 -2.8125 -2.8077 -2.7996 -2.7860 -2.7778 -2.7627 -1.0627 -1.0570 0.1769 0.2176 1.0972 1.1595 1.1828 1.2474 1.5470 1.6130 1.9125 1.9991 2.1306 2.1377 2.9297 2.9695 3.1058 3.1140 3.7789 3.8754 4.1567 4.2360 4.3755 4.3929 7.0725 7.0744 7.6330 7.6400 8.5808 8.6113 9.7136 9.7590 k = 0.0000 0.0000 0.1905 ( 4749 PWs) bands (ev): -8.4845 -8.4844 -7.3585 -7.3581 -7.3434 -7.3428 -7.2426 -7.2421 -3.4618 -3.4563 -3.4393 -3.4347 -2.8146 -2.8091 -2.7997 -2.7861 -2.7771 -2.7622 -1.0570 -1.0514 0.1548 0.1956 1.1163 1.1647 1.1752 1.2382 1.5692 1.6378 1.9375 2.0184 2.1258 2.1385 2.9347 2.9739 3.1309 3.1348 3.7084 3.8162 4.1214 4.2069 4.3635 4.3828 7.1523 7.1527 7.6914 7.7002 8.6404 8.6746 9.6681 9.7144 k = 0.0000 0.0000 0.2117 ( 4749 PWs) bands (ev): -8.4718 -8.4717 -7.3678 -7.3673 -7.3496 -7.3489 -7.2442 -7.2437 -3.4635 -3.4573 -3.4398 -3.4336 -2.8165 -2.8109 -2.7997 -2.7863 -2.7760 -2.7617 -1.0509 -1.0456 0.1299 0.1699 1.1249 1.1736 1.1742 1.2470 1.5826 1.6540 1.9608 2.0301 2.1255 2.1526 2.9441 2.9809 3.1549 3.1573 3.6357 3.7545 4.0885 4.1781 4.3512 4.3719 7.2284 7.2303 7.7557 7.7659 8.7050 8.7429 9.6230 9.6702 k = 0.0000 0.0000 0.2329 ( 4743 PWs) bands (ev): -8.4579 -8.4578 -7.3777 -7.3771 -7.3561 -7.3555 -7.2463 -7.2457 -3.4652 -3.4583 -3.4403 -3.4326 -2.8184 -2.8130 -2.7995 -2.7864 -2.7748 -2.7613 -1.0446 -1.0398 0.1025 0.1410 1.1160 1.1642 1.2083 1.2743 1.5857 1.6586 1.9809 2.0373 2.1344 2.1786 2.9573 2.9899 3.1732 3.1828 3.5644 3.6949 4.0565 4.1488 4.3387 4.3606 7.3010 7.3046 7.8249 7.8360 8.7732 8.8145 9.5792 9.6275 k = 0.0000 0.0000 0.2540 ( 4743 PWs) bands (ev): -8.4429 -8.4428 -7.3883 -7.3876 -7.3631 -7.3624 -7.2487 -7.2480 -3.4668 -3.4594 -3.4410 -3.4316 -2.8202 -2.8154 -2.7992 -2.7864 -2.7735 -2.7608 -1.0381 -1.0340 0.0729 0.1095 1.1039 1.1515 1.2549 1.3119 1.5776 1.6499 1.9987 2.0449 2.1548 2.2118 2.9733 2.9990 3.1873 3.2048 3.5002 3.6423 4.0248 4.1184 4.3264 4.3490 7.3699 7.3748 7.8978 7.9091 8.8432 8.8875 9.5376 9.5876 k = 0.0000 0.0000 0.2752 ( 4735 PWs) bands (ev): -8.4267 -8.4266 -7.3993 -7.3986 -7.3704 -7.3697 -7.2516 -7.2508 -3.4682 -3.4606 -3.4416 -3.4307 -2.8218 -2.8180 -2.7988 -2.7864 -2.7721 -2.7603 -1.0316 -1.0282 0.0416 0.0759 1.0929 1.1390 1.3084 1.3540 1.5596 1.6298 2.0171 2.0554 2.1851 2.2488 2.9899 3.0056 3.1954 3.2188 3.4515 3.6011 3.9931 4.0869 4.3143 4.3373 7.4351 7.4408 7.9728 7.9833 8.9121 8.9583 9.4998 9.5524 k = 0.0000 0.0000 0.2964 ( 4731 PWs) bands (ev): -8.4094 -8.4093 -7.4109 -7.4102 -7.3780 -7.3772 -7.2549 -7.2541 -3.4696 -3.4618 -3.4423 -3.4298 -2.8232 -2.8206 -2.7982 -2.7863 -2.7708 -2.7597 -1.0250 -1.0226 0.0090 0.0408 1.0839 1.1280 1.3644 1.3935 1.5364 1.6056 2.0374 2.0692 2.2216 2.2871 3.0028 3.0066 3.1950 3.2230 3.4278 3.5741 3.9617 4.0542 4.3026 4.3256 7.4969 7.5030 8.0480 8.0569 8.9757 9.0220 9.4681 9.5249 k = 0.0000 0.0000 0.3176 ( 4717 PWs) bands (ev): -8.3911 -8.3910 -7.4230 -7.4222 -7.3858 -7.3850 -7.2587 -7.2578 -3.4708 -3.4631 -3.4429 -3.4290 -2.8245 -2.8233 -2.7976 -2.7862 -2.7695 -2.7592 -1.0186 -1.0170 -0.0247 0.0048 1.0774 1.1186 1.4052 1.4186 1.5228 1.5957 2.0586 2.0861 2.2615 2.3247 2.9960 3.0092 3.1868 3.2271 3.4296 3.5606 3.9315 4.0207 4.2914 4.3142 7.5560 7.5621 8.1214 8.1283 9.0276 9.0707 9.4468 9.5097 k = 0.0000 0.0000 0.3387 ( 4713 PWs) bands (ev): -8.3718 -8.3717 -7.4354 -7.4346 -7.3937 -7.3929 -7.2630 -7.2620 -3.4719 -3.4645 -3.4435 -3.4283 -2.8262 -2.8252 -2.7968 -2.7861 -2.7683 -2.7586 -1.0124 -1.0112 -0.0591 -0.0319 1.0732 1.1107 1.3924 1.4163 1.5528 1.6215 2.0784 2.1053 2.3023 2.3599 2.9777 3.0004 3.1834 3.2382 3.4467 3.5564 3.9044 3.9873 4.2806 4.3030 7.6127 7.6188 8.1910 8.1962 9.0595 9.0960 9.4415 9.5123 k = 0.0000 0.0000 0.3599 ( 4719 PWs) bands (ev): -8.3515 -8.3514 -7.4482 -7.4474 -7.4017 -7.4009 -7.2678 -7.2667 -3.4729 -3.4659 -3.4440 -3.4276 -2.8287 -2.8261 -2.7960 -2.7861 -2.7672 -2.7581 -1.0067 -1.0050 -0.0938 -0.0688 1.0706 1.1038 1.3535 1.3792 1.6183 1.6749 2.0947 2.1250 2.3423 2.3906 2.9553 2.9815 3.1926 3.2556 3.4700 3.5557 3.8827 3.9549 4.2705 4.2922 7.6676 7.6735 8.2546 8.2603 9.0652 9.0935 9.4555 9.5333 k = 0.0000 0.0000 0.3811 ( 4715 PWs) bands (ev): -8.3304 -8.3303 -7.4612 -7.4605 -7.4097 -7.4089 -7.2732 -7.2720 -3.4736 -3.4673 -3.4446 -3.4271 -2.8311 -2.8267 -2.7951 -2.7861 -2.7661 -2.7575 -1.0012 -0.9985 -0.1286 -0.1057 1.0675 1.0976 1.3042 1.3348 1.6948 1.7405 2.1058 2.1427 2.3803 2.4156 2.9363 2.9630 3.2106 3.2774 3.4934 3.5535 3.8694 3.9251 4.2610 4.2819 7.7209 7.7266 8.3111 8.3193 9.0450 9.0666 9.4840 9.5661 k = 0.0000 0.0000 0.4022 ( 4707 PWs) bands (ev): -8.3084 -8.3083 -7.4746 -7.4739 -7.4177 -7.4169 -7.2790 -7.2777 -3.4743 -3.4687 -3.4450 -3.4267 -2.8334 -2.8270 -2.7943 -2.7861 -2.7652 -2.7570 -0.9957 -0.9919 -0.1633 -0.1422 1.0579 1.0930 1.2502 1.2966 1.7752 1.8109 2.1107 2.1553 2.4156 2.4352 2.9270 2.9528 3.2321 3.3015 3.5106 3.5491 3.8663 3.9001 4.2523 4.2723 7.7726 7.7786 8.3602 8.3718 9.0045 9.0221 9.5179 9.6007 k = 0.0000 0.0000 0.4234 ( 4707 PWs) bands (ev): -8.2856 -8.2856 -7.4881 -7.4875 -7.4256 -7.4248 -7.2853 -7.2840 -3.4748 -3.4701 -3.4455 -3.4264 -2.8356 -2.8271 -2.7935 -2.7862 -2.7645 -2.7565 -0.9900 -0.9852 -0.1976 -0.1781 1.0354 1.0878 1.1992 1.2711 1.8549 1.8808 2.1104 2.1606 2.4481 2.4535 2.9305 2.9542 3.2536 3.3261 3.5096 3.5515 3.8713 3.8843 4.2444 4.2634 7.8228 7.8292 8.4015 8.4165 8.9490 8.9654 9.5484 9.6289 k = 0.0000 0.0000 0.4446 ( 4717 PWs) bands (ev): -8.2622 -8.2621 -7.5019 -7.5014 -7.4334 -7.4325 -7.2921 -7.2908 -3.4751 -3.4713 -3.4459 -3.4263 -2.8375 -2.8270 -2.7928 -2.7862 -2.7639 -2.7560 -0.9840 -0.9782 -0.2313 -0.2133 0.9995 1.0666 1.1679 1.2601 1.9252 1.9432 2.1120 2.1606 2.4710 2.4833 2.9463 2.9667 3.2724 3.3495 3.4933 3.5597 3.8689 3.8933 4.2375 4.2554 7.8710 7.8784 8.4345 8.4521 8.8828 8.9001 9.5704 9.6466 k = 0.0000 0.0000 0.4657 ( 4717 PWs) bands (ev): -8.2382 -8.2381 -7.5158 -7.5154 -7.4409 -7.4400 -7.2994 -7.2981 -3.4753 -3.4724 -3.4463 -3.4263 -2.8392 -2.8267 -2.7924 -2.7862 -2.7634 -2.7556 -0.9775 -0.9710 -0.2644 -0.2476 0.9537 1.0199 1.1657 1.2617 1.9622 1.9877 2.1349 2.1674 2.4961 2.5183 2.9716 2.9872 3.2861 3.3699 3.4757 3.5655 3.8695 3.9150 4.2317 4.2486 7.9167 7.9254 8.4582 8.4771 8.8095 8.8295 9.5820 9.6539 k = 0.0000 0.0000 0.4869 ( 4709 PWs) bands (ev): -8.2136 -8.2135 -7.5299 -7.5295 -7.4482 -7.4473 -7.3071 -7.3058 -3.4754 -3.4733 -3.4467 -3.4266 -2.8406 -2.8263 -2.7924 -2.7860 -2.7631 -2.7552 -0.9706 -0.9634 -0.2965 -0.2807 0.9021 0.9618 1.1791 1.2728 1.9552 1.9971 2.1871 2.2013 2.5276 2.5577 3.0014 3.0125 3.2923 3.3853 3.4666 3.5689 3.8781 3.9409 4.2272 4.2430 7.9583 7.9692 8.4712 8.4888 8.7336 8.7582 9.5850 9.6535 k = 0.0000 0.0000 0.5081 ( 4705 PWs) bands (ev): -8.1886 -8.1885 -7.5441 -7.5438 -7.4551 -7.4542 -7.3153 -7.3140 -3.4755 -3.4739 -3.4472 -3.4270 -2.8418 -2.8256 -2.7927 -2.7856 -2.7629 -2.7549 -0.9630 -0.9553 -0.3277 -0.3127 0.8477 0.9008 1.1995 1.2908 1.9250 1.9747 2.2415 2.2659 2.5650 2.6035 3.0279 3.0417 3.2910 3.3958 3.4708 3.5728 3.8929 3.9688 4.2241 4.2388 7.9933 8.0074 8.4705 8.4824 8.6619 8.6942 9.5823 9.6482 k = 0.0000 0.0000 0.5293 ( 4705 PWs) bands (ev): -8.1632 -8.1631 -7.5584 -7.5583 -7.4617 -7.4608 -7.3238 -7.3225 -3.4758 -3.4740 -3.4476 -3.4275 -2.8427 -2.8248 -2.7934 -2.7851 -2.7629 -2.7547 -0.9548 -0.9467 -0.3577 -0.3434 0.7924 0.8397 1.2242 1.3142 1.8850 1.9378 2.2924 2.3353 2.6081 2.6567 3.0479 3.0699 3.2876 3.4052 3.4853 3.5802 3.9115 3.9972 4.2226 4.2363 8.0167 8.0358 8.4514 8.4547 8.6048 8.6466 9.5771 9.6405 k = 0.0000 0.0000 0.5504 ( 4695 PWs) bands (ev): -8.1376 -8.1374 -7.5729 -7.5728 -7.4678 -7.4669 -7.3326 -7.3314 -3.4761 -3.4738 -3.4481 -3.4283 -2.8434 -2.8238 -2.7945 -2.7845 -2.7630 -2.7546 -0.9457 -0.9376 -0.3866 -0.3727 0.7375 0.7797 1.2521 1.3419 1.8409 1.8958 2.3363 2.3962 2.6571 2.7164 3.0632 3.0908 3.2903 3.4154 3.5056 3.5935 3.9320 4.0252 4.2226 4.2355 8.0203 8.0463 8.4111 8.4209 8.5684 8.6163 9.5717 9.6320 k = 0.0000 0.0000 0.5716 ( 4683 PWs) bands (ev): -8.1117 -8.1115 -7.5875 -7.5875 -7.4735 -7.4726 -7.3417 -7.3405 -3.4763 -3.4733 -3.4487 -3.4293 -2.8437 -2.8227 -2.7958 -2.7840 -2.7632 -2.7545 -0.9359 -0.9279 -0.4141 -0.4006 0.6839 0.7215 1.2824 1.3733 1.7957 1.8532 2.3703 2.4423 2.7113 2.7789 3.0776 3.1042 3.3027 3.4253 3.5296 3.6145 3.9528 4.0520 4.2241 4.2365 7.9948 8.0278 8.3748 8.3939 8.5464 8.5959 9.5676 9.6242 k = 0.0000 0.0000 0.5928 ( 4683 PWs) bands (ev): -8.0858 -8.0856 -7.6024 -7.6023 -7.4786 -7.4778 -7.3509 -7.3498 -3.4763 -3.4726 -3.4493 -3.4305 -2.8438 -2.8216 -2.7973 -2.7836 -2.7635 -2.7546 -0.9253 -0.9176 -0.4403 -0.4269 0.6321 0.6657 1.3141 1.4076 1.7510 1.8126 2.3932 2.4708 2.7675 2.8384 3.0972 3.1177 3.3207 3.4333 3.5568 3.6440 3.9728 4.0770 4.2270 4.2395 7.9385 7.9749 8.3567 8.3809 8.5329 8.5809 9.5655 9.6178 k = 0.0000 0.0000 0.6139 ( 4693 PWs) bands (ev): -8.0600 -8.0597 -7.6175 -7.6172 -7.4832 -7.4824 -7.3602 -7.3591 -3.4761 -3.4719 -3.4499 -3.4318 -2.8436 -2.8203 -2.7989 -2.7834 -2.7637 -2.7547 -0.9140 -0.9067 -0.4649 -0.4518 0.5828 0.6126 1.3463 1.4444 1.7084 1.7761 2.4043 2.4816 2.8206 2.8884 3.1269 3.1425 3.3375 3.4388 3.5877 3.6809 3.9915 4.0996 4.2310 4.2441 7.8602 7.8964 8.3499 8.3739 8.5295 8.5728 9.5657 9.6129 k = 0.0000 0.0000 0.6351 ( 4695 PWs) bands (ev): -8.0342 -8.0339 -7.6328 -7.6324 -7.4873 -7.4865 -7.3693 -7.3683 -3.4757 -3.4710 -3.4506 -3.4334 -2.8431 -2.8191 -2.8006 -2.7834 -2.7639 -2.7549 -0.9020 -0.8953 -0.4880 -0.4751 0.5363 0.5628 1.3776 1.4828 1.6689 1.7457 2.4038 2.4761 2.8673 2.9260 3.1637 3.1884 3.3488 3.4427 3.6229 3.7228 4.0084 4.1193 4.2362 4.2503 7.7704 7.8046 8.3414 8.3616 8.5398 8.5752 9.5676 9.6095 k = 0.0000 0.0000 0.6563 ( 4689 PWs) bands (ev): -8.0088 -8.0084 -7.6483 -7.6478 -7.4908 -7.4900 -7.3783 -7.3773 -3.4751 -3.4700 -3.4513 -3.4351 -2.8424 -2.8181 -2.8022 -2.7838 -2.7639 -2.7552 -0.8896 -0.8836 -0.5095 -0.4968 0.4933 0.5164 1.4060 1.5207 1.6346 1.7237 2.3921 2.4567 2.9077 2.9548 3.2055 3.2498 3.3530 3.4474 3.6618 3.7668 4.0234 4.1358 4.2423 4.2574 7.6769 7.7084 8.3246 8.3405 8.5623 8.5892 9.5705 9.6068 k = 0.0000 0.0000 0.6775 ( 4697 PWs) bands (ev): -7.9838 -7.9834 -7.6640 -7.6635 -7.4937 -7.4929 -7.3868 -7.3859 -3.4743 -3.4691 -3.4519 -3.4369 -2.8414 -2.8173 -2.8035 -2.7845 -2.7638 -2.7555 -0.8769 -0.8718 -0.5292 -0.5169 0.4540 0.4741 1.4289 1.5493 1.6144 1.7124 2.3709 2.4266 2.9442 2.9799 3.2454 3.3166 3.3511 3.4573 3.7030 3.8105 4.0365 4.1487 4.2492 4.2650 7.5848 7.6132 8.3002 8.3132 8.5919 8.6121 9.5733 9.6040 k = 0.0000 0.0000 0.6986 ( 4701 PWs) bands (ev): -7.9594 -7.9589 -7.6800 -7.6794 -7.4960 -7.4953 -7.3948 -7.3939 -3.4733 -3.4681 -3.4526 -3.4388 -2.8401 -2.8172 -2.8042 -2.7856 -2.7636 -2.7560 -0.8643 -0.8600 -0.5471 -0.5353 0.4190 0.4361 1.4442 1.5455 1.6312 1.7140 2.3422 2.3891 2.9787 3.0047 3.2732 3.3397 3.3871 3.4776 3.7446 3.8514 4.0483 4.1579 4.2566 4.2724 7.4978 7.5230 8.2721 8.2831 8.6242 8.6398 9.5751 9.6005 k = 0.0000 0.0000 0.7198 ( 4685 PWs) bands (ev): -7.9359 -7.9354 -7.6961 -7.6954 -7.4978 -7.4971 -7.4020 -7.4013 -3.4723 -3.4672 -3.4531 -3.4408 -2.8386 -2.8178 -2.8042 -2.7869 -2.7632 -2.7565 -0.8521 -0.8486 -0.5629 -0.5520 0.3887 0.4028 1.4516 1.5248 1.6687 1.7279 2.3084 2.3474 3.0123 3.0302 3.2841 3.3268 3.4503 3.5092 3.7850 3.8874 4.0596 4.1633 4.2640 4.2792 7.4190 7.4406 8.2437 8.2530 8.6563 8.6684 9.5752 9.5956 k = 0.0000 0.0000 0.7410 ( 4685 PWs) bands (ev): -7.9135 -7.9130 -7.7121 -7.7114 -7.4991 -7.4985 -7.4083 -7.4077 -3.4712 -3.4664 -3.4533 -3.4429 -2.8368 -2.8193 -2.8033 -2.7885 -2.7626 -2.7571 -0.8409 -0.8381 -0.5763 -0.5667 0.3635 0.3747 1.4533 1.5040 1.7094 1.7508 2.2723 2.3042 3.0448 3.0563 3.2813 3.3098 3.5071 3.5459 3.8229 3.9157 4.0715 4.1648 4.2711 4.2848 7.3509 7.3687 8.2177 8.2253 8.6859 8.6954 9.5736 9.5895 k = 0.0000 0.0000 0.7621 ( 4685 PWs) bands (ev): -7.8930 -7.8925 -7.7275 -7.7268 -7.4999 -7.4995 -7.4134 -7.4129 -3.4700 -3.4659 -3.4533 -3.4449 -2.8349 -2.8212 -2.8019 -2.7903 -2.7620 -2.7577 -0.8311 -0.8290 -0.5870 -0.5792 0.3437 0.3521 1.4522 1.4862 1.7486 1.7777 2.2373 2.2625 3.0757 3.0822 3.2704 3.2902 3.5546 3.5801 3.8571 3.9343 4.0854 4.1626 4.2775 4.2888 7.2959 7.3095 8.1959 8.2016 8.7114 8.7184 9.5710 9.5826 k = 0.0000 0.0000 0.7833 ( 4688 PWs) bands (ev): -7.8753 -7.8748 -7.7414 -7.7408 -7.5004 -7.5001 -7.4172 -7.4169 -3.4688 -3.4659 -3.4528 -3.4469 -2.8328 -2.8235 -2.8002 -2.7922 -2.7613 -2.7584 -0.8234 -0.8219 -0.5947 -0.5891 0.3297 0.3353 1.4511 1.4720 1.7832 1.8027 2.2075 2.2256 3.1032 3.1063 3.2563 3.2698 3.5909 3.6067 3.8868 3.9422 4.1014 4.1565 4.2830 4.2911 7.2558 7.2651 8.1797 8.1835 8.7311 8.7359 9.5683 9.5760 k = 0.0000 0.0000 0.8045 ( 4696 PWs) bands (ev): -7.8624 -7.8621 -7.7518 -7.7514 -7.5006 -7.5005 -7.4195 -7.4194 -3.4678 -3.4662 -3.4518 -3.4488 -2.8305 -2.8258 -2.7983 -2.7942 -2.7606 -2.7591 -0.8183 -0.8175 -0.5989 -0.5959 0.3218 0.3246 1.4517 1.4616 1.8093 1.8194 2.1883 2.1980 3.1241 3.1254 3.2443 3.2517 3.6147 3.6223 3.9111 3.9399 4.1181 4.1468 4.2873 4.2916 7.2321 7.2368 8.1699 8.1719 8.7440 8.7464 9.5669 9.5707 k = 0.0000 0.0000 0.8256 ( 4692 PWs) bands (ev): -7.8574 -7.8574 -7.7557 -7.7557 -7.5007 -7.5007 -7.4203 -7.4203 -3.4669 -3.4669 -3.4504 -3.4504 -2.8282 -2.8282 -2.7963 -2.7963 -2.7598 -2.7598 -0.8163 -0.8163 -0.5993 -0.5993 0.3201 0.3201 1.4550 1.4550 1.8223 1.8223 2.1846 2.1846 3.1328 3.1328 3.2415 3.2415 3.6252 3.6252 3.9291 3.9291 4.1337 4.1337 4.2902 4.2902 7.2256 7.2256 8.1673 8.1673 8.7492 8.7492 9.5675 9.5675 k = 0.0000 0.0000 0.8256 ( 4692 PWs) bands (ev): -7.8574 -7.8574 -7.7557 -7.7557 -7.5007 -7.5007 -7.4203 -7.4203 -3.4669 -3.4669 -3.4504 -3.4504 -2.8282 -2.8282 -2.7963 -2.7963 -2.7598 -2.7598 -0.8163 -0.8163 -0.5993 -0.5993 0.3201 0.3201 1.4550 1.4550 1.8223 1.8223 2.1846 2.1846 3.1328 3.1328 3.2415 3.2415 3.6252 3.6252 3.9291 3.9291 4.1337 4.1337 4.2902 4.2902 7.2256 7.2256 8.1673 8.1673 8.7492 8.7492 9.5675 9.5675 k =-0.0121 0.0159 0.8256 ( 4700 PWs) bands (ev): -7.8573 -7.8573 -7.7560 -7.7560 -7.5007 -7.5006 -7.4204 -7.4202 -3.4679 -3.4660 -3.4531 -3.4480 -2.8302 -2.8267 -2.7989 -2.7936 -2.7610 -2.7590 -0.8145 -0.8131 -0.5981 -0.5979 0.3191 0.3209 1.4541 1.4563 1.8207 1.8244 2.1832 2.1863 3.1272 3.1335 3.2379 3.2411 3.6238 3.6254 3.9268 3.9301 4.1305 4.1337 4.2891 4.2897 7.2273 7.2296 8.1688 8.1697 8.7521 8.7573 9.5687 9.5706 k =-0.0241 0.0317 0.8256 ( 4692 PWs) bands (ev): -7.8570 -7.8569 -7.7568 -7.7567 -7.5006 -7.5004 -7.4205 -7.4202 -3.4691 -3.4654 -3.4559 -3.4459 -2.8328 -2.8258 -2.8014 -2.7911 -2.7623 -2.7584 -0.8080 -0.8052 -0.5944 -0.5939 0.3179 0.3215 1.4535 1.4579 1.8195 1.8270 2.1822 2.1885 3.1168 3.1293 3.2303 3.2365 3.6211 3.6245 3.9233 3.9297 4.1244 4.1306 4.2862 4.2876 7.2345 7.2392 8.1741 8.1760 8.7656 8.7760 9.5738 9.5778 k =-0.0362 0.0476 0.8256 ( 4694 PWs) bands (ev): -7.8564 -7.8563 -7.7581 -7.7580 -7.5005 -7.5002 -7.4207 -7.4203 -3.4706 -3.4648 -3.4586 -3.4440 -2.8360 -2.8254 -2.8035 -2.7888 -2.7639 -2.7581 -0.7967 -0.7926 -0.5881 -0.5874 0.3165 0.3219 1.4533 1.4599 1.8189 1.8301 2.1816 2.1911 3.1017 3.1199 3.2192 3.2281 3.6172 3.6223 3.9185 3.9279 4.1155 4.1244 4.2815 4.2837 7.2472 7.2541 8.1831 8.1861 8.7890 8.8048 9.5822 9.5883 k =-0.0483 0.0634 0.8256 ( 4692 PWs) bands (ev): -7.8557 -7.8556 -7.7599 -7.7599 -7.5002 -7.4999 -7.4210 -7.4205 -3.4725 -3.4646 -3.4611 -3.4426 -2.8399 -2.8256 -2.8051 -2.7868 -2.7657 -2.7581 -0.7808 -0.7755 -0.5794 -0.5784 0.3150 0.3221 1.4534 1.4623 1.8186 1.8338 2.1814 2.1941 3.0818 3.1051 3.2051 3.2166 3.6122 3.6192 3.9125 3.9247 4.1042 4.1156 4.2749 4.2779 7.2652 7.2743 8.1957 8.2000 8.8214 8.8428 9.5926 9.6012 k =-0.0603 0.0793 0.8256 ( 4694 PWs) bands (ev): -7.8547 -7.8546 -7.7624 -7.7623 -7.4998 -7.4993 -7.4212 -7.4207 -3.4748 -3.4649 -3.4628 -3.4414 -2.8442 -2.8263 -2.8062 -2.7852 -2.7677 -2.7584 -0.7606 -0.7540 -0.5684 -0.5671 0.3133 0.3220 1.4538 1.4651 1.8188 1.8381 2.1814 2.1975 3.0571 3.0850 3.1884 3.2026 3.6062 3.6150 3.9055 3.9202 4.0910 4.1044 4.2663 4.2703 7.2881 7.2992 8.2115 8.2174 8.8611 8.8883 9.6024 9.6138 k =-0.0724 0.0951 0.8256 ( 4698 PWs) bands (ev): -7.8537 -7.8535 -7.7654 -7.7653 -7.4991 -7.4986 -7.4215 -7.4209 -3.4775 -3.4664 -3.4633 -3.4407 -2.8490 -2.8274 -2.8069 -2.7840 -2.7696 -2.7590 -0.7361 -0.7284 -0.5551 -0.5534 0.3115 0.3218 1.4546 1.4682 1.8194 1.8429 2.1817 2.2012 3.0277 3.0597 3.1697 3.1871 3.5993 3.6101 3.8974 3.9145 4.0763 4.0913 4.2557 4.2607 7.3156 7.3287 8.2304 8.2381 8.9059 8.9391 9.6065 9.6216 k =-0.0845 0.1110 0.8256 ( 4702 PWs) bands (ev): -7.8525 -7.8524 -7.7690 -7.7689 -7.4981 -7.4975 -7.4218 -7.4211 -3.4806 -3.4680 -3.4634 -3.4403 -2.8541 -2.8289 -2.8073 -2.7833 -2.7715 -2.7599 -0.7079 -0.6991 -0.5397 -0.5377 0.3095 0.3213 1.4557 1.4718 1.8204 1.8483 2.1823 2.2052 2.9940 3.0296 3.1492 3.1705 3.5915 3.6044 3.8884 3.9076 4.0604 4.0766 4.2431 4.2491 7.3474 7.3621 8.2517 8.2617 8.9529 8.9924 9.5977 9.6168 k =-0.0965 0.1268 0.8256 ( 4702 PWs) bands (ev): -7.8513 -7.8512 -7.7732 -7.7731 -7.4967 -7.4960 -7.4221 -7.4213 -3.4839 -3.4696 -3.4635 -3.4402 -2.8593 -2.8307 -2.8075 -2.7830 -2.7732 -2.7609 -0.6761 -0.6665 -0.5224 -0.5200 0.3075 0.3205 1.4571 1.4759 1.8218 1.8543 2.1829 2.2094 2.9565 2.9955 3.1277 3.1533 3.5831 3.5980 3.8786 3.8997 4.0436 4.0606 4.2286 4.2356 7.3828 7.3992 8.2750 8.2875 8.9986 9.0440 9.5712 9.5941 k =-0.1086 0.1427 0.8256 ( 4700 PWs) bands (ev): -7.8502 -7.8500 -7.7779 -7.7779 -7.4948 -7.4942 -7.4223 -7.4215 -3.4873 -3.4711 -3.4637 -3.4405 -2.8645 -2.8328 -2.8076 -2.7833 -2.7746 -2.7622 -0.6412 -0.6310 -0.5033 -0.5005 0.3055 0.3196 1.4589 1.4804 1.8235 1.8608 2.1837 2.2138 2.9159 2.9580 3.1055 3.1357 3.5740 3.5910 3.8679 3.8909 4.0262 4.0437 4.2123 4.2204 7.4216 7.4393 8.2995 8.3150 9.0384 9.0886 9.5307 9.5585 k =-0.1207 0.1585 0.8256 ( 4704 PWs) bands (ev): -7.8492 -7.8490 -7.7833 -7.7832 -7.4925 -7.4918 -7.4223 -7.4215 -3.4906 -3.4725 -3.4640 -3.4410 -2.8696 -2.8351 -2.8077 -2.7841 -2.7756 -2.7637 -0.6038 -0.5933 -0.4827 -0.4795 0.3037 0.3186 1.4611 1.4854 1.8256 1.8680 2.1845 2.2184 2.8729 2.9179 3.0833 3.1180 3.5643 3.5834 3.8566 3.8813 4.0084 4.0261 4.1946 4.2035 7.4631 7.4820 8.3243 8.3432 9.0673 9.1201 9.4825 9.5175 k =-0.1327 0.1744 0.8256 ( 4712 PWs) bands (ev): -7.8484 -7.8482 -7.7892 -7.7890 -7.4897 -7.4890 -7.4222 -7.4215 -3.4938 -3.4739 -3.4645 -3.4417 -2.8745 -2.8376 -2.8078 -2.7852 -2.7763 -2.7653 -0.5644 -0.5539 -0.4608 -0.4572 0.3024 0.3176 1.4638 1.4911 1.8281 1.8758 2.1852 2.2229 2.8284 2.8761 3.0615 3.1004 3.5541 3.5752 3.8447 3.8710 3.9902 4.0080 4.1755 4.1854 7.5069 7.5266 8.3484 8.3710 9.0810 9.1335 9.4305 9.4741 k =-0.1448 0.1903 0.8256 ( 4708 PWs) bands (ev): -7.8479 -7.8477 -7.7955 -7.7953 -7.4864 -7.4856 -7.4220 -7.4212 -3.4968 -3.4754 -3.4651 -3.4426 -2.8790 -2.8403 -2.8080 -2.7866 -2.7768 -2.7670 -0.5238 -0.5137 -0.4377 -0.4338 0.3018 0.3168 1.4671 1.4975 1.8310 1.8841 2.1858 2.2275 2.7832 2.8333 3.0404 3.0832 3.5434 3.5664 3.8323 3.8601 3.9720 3.9897 4.1554 4.1661 7.5522 7.5726 8.3705 8.3972 9.0768 9.1273 9.3762 9.4261 k =-0.1448 0.1903 0.8256 ( 4708 PWs) bands (ev): -7.8479 -7.8477 -7.7955 -7.7953 -7.4864 -7.4856 -7.4220 -7.4212 -3.4968 -3.4754 -3.4651 -3.4426 -2.8790 -2.8403 -2.8080 -2.7866 -2.7768 -2.7670 -0.5238 -0.5137 -0.4377 -0.4338 0.3018 0.3168 1.4671 1.4975 1.8310 1.8841 2.1858 2.2275 2.7832 2.8333 3.0404 3.0832 3.5434 3.5664 3.8323 3.8601 3.9720 3.9897 4.1554 4.1661 7.5522 7.5726 8.3705 8.3972 9.0768 9.1273 9.3762 9.4261 k =-0.1537 0.2019 0.8110 ( 4709 PWs) bands (ev): -7.8443 -7.8443 -7.8058 -7.8057 -7.4760 -7.4753 -7.4269 -7.4262 -3.4988 -3.4758 -3.4654 -3.4442 -2.8815 -2.8433 -2.8074 -2.7873 -2.7779 -2.7687 -0.4975 -0.4887 -0.4152 -0.4067 0.3009 0.3139 1.4742 1.5025 1.8246 1.8812 2.1973 2.2333 2.7384 2.7921 3.0447 3.0864 3.5227 3.5431 3.8372 3.8587 3.9668 3.9830 4.1266 4.1386 7.5855 7.6066 8.3909 8.4189 9.0504 9.0957 9.3342 9.3947 k =-0.1625 0.2136 0.7963 ( 4705 PWs) bands (ev): -7.8455 -7.8451 -7.8126 -7.8123 -7.4648 -7.4641 -7.4319 -7.4312 -3.5006 -3.4765 -3.4655 -3.4458 -2.8837 -2.8462 -2.8067 -2.7880 -2.7788 -2.7705 -0.4821 -0.4705 -0.3835 -0.3705 0.3039 0.3146 1.4825 1.5094 1.8116 1.8712 2.2143 2.2438 2.6971 2.7530 3.0481 3.0886 3.4920 3.5089 3.8326 3.8596 3.9555 3.9906 4.0973 4.1120 7.6250 7.6468 8.4109 8.4401 9.0129 9.0535 9.2940 9.3617 k =-0.1714 0.2253 0.7817 ( 4701 PWs) bands (ev): -7.8518 -7.8512 -7.8148 -7.8143 -7.4528 -7.4523 -7.4367 -7.4361 -3.5024 -3.4774 -3.4653 -3.4475 -2.8857 -2.8492 -2.8062 -2.7888 -2.7796 -2.7722 -0.4739 -0.4580 -0.3448 -0.3287 0.3110 0.3191 1.4918 1.5181 1.7939 1.8559 2.2337 2.2564 2.6614 2.7173 3.0505 3.0897 3.4524 3.4665 3.8204 3.8542 3.9500 4.0015 4.0697 4.0886 7.6700 7.6925 8.4288 8.4591 8.9688 9.0055 9.2548 9.3267 k =-0.1803 0.2369 0.7670 ( 4700 PWs) bands (ev): -7.8612 -7.8606 -7.8142 -7.8137 -7.4434 -7.4430 -7.4384 -7.4381 -3.5039 -3.4786 -3.4649 -3.4491 -2.8874 -2.8522 -2.8057 -2.7897 -2.7803 -2.7738 -0.4697 -0.4496 -0.3022 -0.2841 0.3222 0.3275 1.5019 1.5284 1.7730 1.8369 2.2522 2.2680 2.6333 2.6863 3.0516 3.0895 3.4051 3.4184 3.8008 3.8368 3.9523 4.0113 4.0488 4.0705 7.7195 7.7427 8.4428 8.4735 8.9226 8.9563 9.2158 9.2899 k =-0.1892 0.2486 0.7523 ( 4694 PWs) bands (ev): -7.8717 -7.8711 -7.8127 -7.8123 -7.4473 -7.4466 -7.4268 -7.4263 -3.5054 -3.4799 -3.4645 -3.4507 -2.8888 -2.8551 -2.8053 -2.7905 -2.7809 -2.7754 -0.4682 -0.4440 -0.2576 -0.2382 0.3375 0.3401 1.5124 1.5401 1.7502 1.8154 2.2653 2.2768 2.6156 2.6615 3.0510 3.0875 3.3520 3.3675 3.7730 3.8082 3.9592 4.0094 4.0460 4.0590 7.7725 7.7963 8.4504 8.4808 8.8785 8.9099 9.1770 9.2519 k =-0.1981 0.2603 0.7377 ( 4700 PWs) bands (ev): -7.8824 -7.8817 -7.8111 -7.8108 -7.4521 -7.4514 -7.4138 -7.4134 -3.5067 -3.4813 -3.4641 -3.4520 -2.8900 -2.8580 -2.8051 -2.7914 -2.7813 -2.7768 -0.4686 -0.4406 -0.2124 -0.1919 0.3554 0.3581 1.5228 1.5529 1.7269 1.7927 2.2669 2.2839 2.6100 2.6446 3.0473 3.0830 3.2953 3.3164 3.7375 3.7710 3.9666 3.9988 4.0545 4.0587 7.8281 7.8522 8.4494 8.4782 8.8396 8.8695 9.1390 9.2138 k =-0.2069 0.2719 0.7230 ( 4702 PWs) bands (ev): -7.8928 -7.8922 -7.8096 -7.8094 -7.4569 -7.4562 -7.4009 -7.4005 -3.5078 -3.4828 -3.4638 -3.4532 -2.8909 -2.8607 -2.8051 -2.7924 -2.7815 -2.7780 -0.4706 -0.4391 -0.1671 -0.1459 0.3756 0.3814 1.5321 1.5666 1.7042 1.7697 2.2576 2.2865 2.6166 2.6365 3.0380 3.0750 3.2380 3.2683 3.6958 3.7277 3.9717 3.9906 4.0567 4.0750 7.8848 7.9088 8.4388 8.4645 8.8078 8.8369 9.1031 9.1772 k =-0.2158 0.2836 0.7083 ( 4705 PWs) bands (ev): -7.9028 -7.9022 -7.8083 -7.8081 -7.4616 -7.4609 -7.3882 -7.3878 -3.5088 -3.4844 -3.4639 -3.4538 -2.8917 -2.8631 -2.8053 -2.7935 -2.7815 -2.7790 -0.4739 -0.4391 -0.1224 -0.1007 0.3992 0.4084 1.5392 1.5805 1.6834 1.7479 2.2409 2.2827 2.6316 2.6386 3.0189 3.0613 3.1841 3.2277 3.6498 3.6806 3.9726 3.9872 4.0642 4.0923 7.9411 7.9644 8.4194 8.4407 8.7824 8.8114 9.0711 9.1444 k =-0.2247 0.2953 0.6937 ( 4709 PWs) bands (ev): -7.9123 -7.9117 -7.8072 -7.8070 -7.4662 -7.4656 -7.3759 -7.3755 -3.5096 -3.4859 -3.4644 -3.4540 -2.8924 -2.8653 -2.8057 -2.7946 -2.7813 -2.7798 -0.4781 -0.4405 -0.0789 -0.0568 0.4256 0.4386 1.5421 1.5934 1.6662 1.7290 2.2199 2.2730 2.6426 2.6591 2.9865 3.0359 3.1414 3.1983 3.6015 3.6315 3.9703 3.9871 4.0752 4.1099 7.9948 8.0164 8.3949 8.4108 8.7605 8.7901 9.0451 9.1174 k =-0.2336 0.3069 0.6790 ( 4707 PWs) bands (ev): -7.9212 -7.9206 -7.8062 -7.8060 -7.4707 -7.4701 -7.3641 -7.3637 -3.5103 -3.4875 -3.4653 -3.4537 -2.8931 -2.8672 -2.8065 -2.7958 -2.7810 -2.7803 -0.4831 -0.4429 -0.0369 -0.0146 0.4545 0.4712 1.5390 1.6023 1.6553 1.7162 2.1969 2.2592 2.6546 2.6876 2.9423 2.9931 3.1164 3.1796 3.5523 3.5818 3.9673 3.9878 4.0883 4.1273 8.0429 8.0609 8.3709 8.3805 8.7389 8.7691 9.0271 9.0980 k =-0.2425 0.3186 0.6643 ( 4709 PWs) bands (ev): -7.9295 -7.9289 -7.8053 -7.8050 -7.4750 -7.4744 -7.3530 -7.3525 -3.5109 -3.4890 -3.4665 -3.4529 -2.8938 -2.8685 -2.8075 -2.7969 -2.7812 -2.7799 -0.4887 -0.4463 0.0031 0.0253 0.4851 0.5055 1.5299 1.6007 1.6548 1.7123 2.1739 2.2433 2.6678 2.7188 2.8919 2.9385 3.1034 3.1686 3.5036 3.5328 3.9644 3.9884 4.1024 4.1442 8.0806 8.0926 8.3529 8.3587 8.7159 8.7458 9.0184 9.0868 k =-0.2513 0.3303 0.6497 ( 4709 PWs) bands (ev): -7.9370 -7.9364 -7.8044 -7.8040 -7.4792 -7.4786 -7.3427 -7.3421 -3.5113 -3.4904 -3.4678 -3.4520 -2.8947 -2.8693 -2.8088 -2.7978 -2.7815 -2.7790 -0.4945 -0.4503 0.0408 0.0628 0.5164 0.5404 1.5166 1.5880 1.6642 1.7174 2.1522 2.2268 2.6778 2.7502 2.8420 2.8805 3.0948 3.1626 3.4564 3.4858 3.9616 3.9887 4.1168 4.1606 8.1013 8.1065 8.3441 8.3565 8.6911 8.7195 9.0187 9.0835 k =-0.2602 0.3420 0.6350 ( 4711 PWs) bands (ev): -7.9439 -7.9433 -7.8034 -7.8030 -7.4832 -7.4826 -7.3332 -7.3326 -3.5117 -3.4918 -3.4692 -3.4509 -2.8958 -2.8695 -2.8104 -2.7986 -2.7818 -2.7780 -0.5004 -0.4548 0.0756 0.0975 0.5475 0.5748 1.5018 1.5700 1.6780 1.7295 2.1326 2.2108 2.6753 2.7747 2.8004 2.8318 3.0871 3.1598 3.4118 3.4418 3.9589 3.9889 4.1310 4.1761 8.0996 8.1055 8.3519 8.3713 8.6652 8.6908 9.0270 9.0867 k =-0.2691 0.3536 0.6203 ( 4710 PWs) bands (ev): -7.9499 -7.9493 -7.8024 -7.8019 -7.4870 -7.4864 -7.3247 -7.3240 -3.5120 -3.4930 -3.4706 -3.4498 -2.8971 -2.8692 -2.8122 -2.7992 -2.7821 -2.7768 -0.5062 -0.4595 0.1074 0.1290 0.5771 0.6075 1.4877 1.5508 1.6934 1.7460 2.1160 2.1961 2.6485 2.7473 2.7825 2.8352 3.0786 3.1594 3.3703 3.4016 3.9562 3.9887 4.1447 4.1907 8.0839 8.0928 8.3730 8.3961 8.6392 8.6613 9.0413 9.0948 k =-0.2780 0.3653 0.6057 ( 4714 PWs) bands (ev): -7.9553 -7.9547 -7.8012 -7.8007 -7.4906 -7.4900 -7.3173 -7.3165 -3.5122 -3.4941 -3.4720 -3.4486 -2.8985 -2.8683 -2.8143 -2.7996 -2.7823 -2.7756 -0.5117 -0.4643 0.1356 0.1572 0.6041 0.6370 1.4759 1.5326 1.7097 1.7653 2.1029 2.1835 2.6026 2.6902 2.7885 2.8644 3.0686 3.1611 3.3327 3.3662 3.9534 3.9883 4.1577 4.2042 8.0640 8.0744 8.4001 8.4243 8.6141 8.6324 9.0596 9.1060 k =-0.2869 0.3770 0.5910 ( 4714 PWs) bands (ev): -7.9598 -7.9592 -7.7999 -7.7994 -7.4940 -7.4934 -7.3109 -7.3101 -3.5124 -3.4951 -3.4733 -3.4474 -2.9000 -2.8669 -2.8165 -2.7998 -2.7824 -2.7744 -0.5169 -0.4690 0.1600 0.1816 0.6270 0.6619 1.4677 1.5167 1.7264 1.7864 2.0937 2.1735 2.5498 2.6331 2.8004 2.8964 3.0570 3.1647 3.2993 3.3360 3.9504 3.9876 4.1697 4.2164 8.0445 8.0557 8.4281 8.4526 8.5907 8.6052 9.0797 9.1185 k =-0.2957 0.3886 0.5764 ( 4718 PWs) bands (ev): -7.9635 -7.9629 -7.7985 -7.7979 -7.4972 -7.4966 -7.3057 -7.3048 -3.5126 -3.4958 -3.4744 -3.4462 -2.9015 -2.8652 -2.8187 -2.7999 -2.7825 -2.7732 -0.5215 -0.4735 0.1802 0.2021 0.6449 0.6809 1.4636 1.5043 1.7433 1.8086 2.0890 2.1662 2.4959 2.5778 2.8139 2.9282 3.0443 3.1704 3.2703 3.3111 3.9473 3.9867 4.1807 4.2272 8.0282 8.0401 8.4543 8.4793 8.5690 8.5810 9.0995 9.1303 k =-0.3046 0.4003 0.5617 ( 4725 PWs) bands (ev): -7.9664 -7.9658 -7.7969 -7.7962 -7.5001 -7.4995 -7.3016 -7.3007 -3.5128 -3.4964 -3.4755 -3.4451 -2.9030 -2.8632 -2.8211 -2.7998 -2.7825 -2.7720 -0.5255 -0.4776 0.1958 0.2183 0.6566 0.6931 1.4633 1.4964 1.7602 1.8314 2.0891 2.1622 2.4435 2.5251 2.8274 2.9581 3.0321 3.1781 3.2458 3.2914 3.9441 3.9856 4.1903 4.2364 8.0168 8.0293 8.4776 8.5041 8.5487 8.5612 9.1170 9.1400 k =-0.3135 0.4120 0.5470 ( 4727 PWs) bands (ev): -7.9684 -7.9678 -7.7951 -7.7944 -7.5027 -7.5021 -7.2987 -7.2979 -3.5130 -3.4968 -3.4764 -3.4441 -2.9045 -2.8610 -2.8235 -2.7996 -2.7825 -2.7709 -0.5289 -0.4813 0.2064 0.2298 0.6618 0.6982 1.4652 1.4946 1.7771 1.8543 2.0941 2.1616 2.3943 2.4758 2.8404 2.9805 3.0267 3.1878 3.2261 3.2765 3.9408 3.9844 4.1986 4.2439 8.0113 8.0245 8.4966 8.5264 8.5298 8.5477 9.1301 9.1462 k =-0.3224 0.4236 0.5324 ( 4723 PWs) bands (ev): -7.9697 -7.9691 -7.7932 -7.7925 -7.5051 -7.5045 -7.2971 -7.2962 -3.5132 -3.4970 -3.4771 -3.4431 -2.9057 -2.8585 -2.8258 -2.7994 -2.7824 -2.7699 -0.5314 -0.4844 0.2119 0.2363 0.6606 0.6963 1.4671 1.4999 1.7936 1.8768 2.1042 2.1643 2.3497 2.4305 2.8526 2.9826 3.0416 3.1969 3.2137 3.2659 3.9373 3.9829 4.2055 4.2498 8.0122 8.0261 8.5073 8.5129 8.5403 8.5498 9.1363 9.1484 k =-0.3224 0.4236 0.5324 ( 4723 PWs) bands (ev): -7.9697 -7.9691 -7.7932 -7.7925 -7.5051 -7.5045 -7.2971 -7.2962 -3.5132 -3.4970 -3.4771 -3.4431 -2.9057 -2.8585 -2.8258 -2.7994 -2.7824 -2.7699 -0.5314 -0.4844 0.2119 0.2363 0.6606 0.6963 1.4671 1.4999 1.7936 1.8768 2.1042 2.1643 2.3497 2.4305 2.8526 2.9826 3.0416 3.1969 3.2137 3.2659 3.9373 3.9829 4.2055 4.2498 8.0122 8.0261 8.5073 8.5129 8.5403 8.5498 9.1363 9.1484 k =-0.3134 0.4119 0.5176 ( 4723 PWs) bands (ev): -7.9801 -7.9796 -7.7794 -7.7787 -7.5090 -7.5085 -7.2945 -7.2936 -3.5144 -3.4962 -3.4749 -3.4421 -2.9050 -2.8586 -2.8249 -2.7962 -2.7832 -2.7689 -0.5478 -0.5028 0.2372 0.2645 0.6708 0.7014 1.4382 1.4678 1.7755 1.8581 2.0946 2.1493 2.3341 2.4073 2.8411 2.9760 3.0616 3.1780 3.2182 3.2430 3.9523 3.9967 4.2187 4.2628 8.0691 8.0822 8.5539 8.5590 8.5949 8.6127 9.1513 9.1686 k =-0.3045 0.4001 0.5028 ( 4719 PWs) bands (ev): -7.9930 -7.9925 -7.7646 -7.7639 -7.5111 -7.5107 -7.2918 -7.2909 -3.5152 -3.4954 -3.4726 -3.4412 -2.9039 -2.8584 -2.8238 -2.7930 -2.7840 -2.7680 -0.5662 -0.5236 0.2532 0.2837 0.6941 0.7186 1.4090 1.4359 1.7580 1.8414 2.0866 2.1354 2.3145 2.3815 2.8325 2.9715 3.0806 3.1483 3.2107 3.2558 3.9624 4.0052 4.2297 4.2732 8.1277 8.1401 8.5899 8.6003 8.6465 8.6730 9.1627 9.1870 k =-0.2955 0.3883 0.4880 ( 4725 PWs) bands (ev): -8.0080 -8.0075 -7.7492 -7.7485 -7.5114 -7.5110 -7.2892 -7.2883 -3.5158 -3.4945 -3.4701 -3.4403 -2.9024 -2.8581 -2.8226 -2.7899 -2.7849 -2.7672 -0.5863 -0.5462 0.2601 0.2937 0.7294 0.7475 1.3798 1.4049 1.7412 1.8265 2.0801 2.1226 2.2918 2.3536 2.8260 2.9677 3.0858 3.1367 3.1959 3.2848 3.9674 4.0083 4.2382 4.2809 8.1875 8.1994 8.6205 8.6334 8.6951 8.7277 9.1718 9.2038 k =-0.2866 0.3766 0.4732 ( 4721 PWs) bands (ev): -8.0250 -8.0246 -7.7330 -7.7324 -7.5100 -7.5097 -7.2865 -7.2856 -3.5160 -3.4935 -3.4675 -3.4396 -2.9007 -2.8575 -2.8212 -2.7868 -2.7858 -2.7664 -0.6078 -0.5704 0.2597 0.2959 0.7737 0.7866 1.3512 1.3754 1.7252 1.8132 2.0744 2.1106 2.2673 2.3245 2.8206 2.9627 3.0713 3.1454 3.1927 3.3169 3.9669 4.0057 4.2442 4.2860 8.2479 8.2595 8.6456 8.6596 8.7398 8.7766 9.1797 9.2190 k =-0.2776 0.3648 0.4584 ( 4721 PWs) bands (ev): -8.0437 -8.0433 -7.7164 -7.7157 -7.5072 -7.5069 -7.2838 -7.2829 -3.5158 -3.4924 -3.4648 -3.4389 -2.8986 -2.8567 -2.8197 -2.7868 -2.7838 -2.7658 -0.6304 -0.5958 0.2540 0.2925 0.8226 0.8341 1.3236 1.3482 1.7102 1.8012 2.0677 2.0994 2.2432 2.2951 2.8158 2.9539 3.0576 3.1489 3.2098 3.3512 3.9609 3.9975 4.2477 4.2886 8.3079 8.3197 8.6652 8.6796 8.7809 8.8198 9.1867 9.2322 k =-0.2687 0.3530 0.4436 ( 4717 PWs) bands (ev): -8.0638 -8.0635 -7.6992 -7.6986 -7.5031 -7.5027 -7.2811 -7.2802 -3.5153 -3.4912 -3.4621 -3.4384 -2.8962 -2.8558 -2.8181 -2.7878 -2.7808 -2.7652 -0.6539 -0.6220 0.2452 0.2855 0.8716 0.8876 1.2983 1.3250 1.6960 1.7900 2.0568 2.0897 2.2216 2.2669 2.8113 2.9402 3.0522 3.1479 3.2397 3.3874 3.9494 3.9838 4.2485 4.2889 8.3666 8.3790 8.6798 8.6942 8.8194 8.8584 9.1928 9.2431 k =-0.2597 0.3413 0.4288 ( 4713 PWs) bands (ev): -8.0850 -8.0848 -7.6817 -7.6811 -7.4978 -7.4973 -7.2784 -7.2775 -3.5145 -3.4899 -3.4593 -3.4379 -2.8935 -2.8547 -2.8163 -2.7889 -2.7781 -2.7647 -0.6779 -0.6489 0.2347 0.2764 0.9182 0.9427 1.2768 1.3078 1.6827 1.7796 2.0388 2.0811 2.2045 2.2418 2.8077 2.9234 3.0548 3.1476 3.2747 3.4252 3.9325 3.9650 4.2468 4.2871 8.4228 8.4357 8.6899 8.7042 8.8567 8.8940 9.1976 9.2510 k =-0.2507 0.3295 0.4141 ( 4725 PWs) bands (ev): -8.1071 -8.1069 -7.6639 -7.6633 -7.4915 -7.4910 -7.2758 -7.2749 -3.5133 -3.4885 -3.4566 -3.4376 -2.8905 -2.8534 -2.8145 -2.7900 -2.7754 -2.7644 -0.7023 -0.6761 0.2233 0.2663 0.9586 0.9942 1.2624 1.2998 1.6701 1.7694 2.0141 2.0704 2.1926 2.2218 2.8060 2.9067 3.0628 3.1487 3.3125 3.4644 3.9104 3.9413 4.2425 4.2835 8.4746 8.4876 8.6963 8.7109 8.8939 8.9282 9.2003 9.2552 k =-0.2418 0.3177 0.3993 ( 4719 PWs) bands (ev): -8.1299 -8.1298 -7.6459 -7.6453 -7.4844 -7.4838 -7.2731 -7.2723 -3.5119 -3.4869 -3.4539 -3.4373 -2.8872 -2.8520 -2.8126 -2.7911 -2.7729 -2.7641 -0.7268 -0.7034 0.2120 0.2561 0.9884 1.0350 1.2609 1.3048 1.6581 1.7593 1.9847 2.0546 2.1858 2.2081 2.8075 2.8925 3.0739 3.1507 3.3520 3.5048 3.8836 3.9133 4.2359 4.2786 8.5191 8.5307 8.7009 8.7168 8.9317 8.9631 9.2001 9.2549 k =-0.2328 0.3060 0.3845 ( 4715 PWs) bands (ev): -8.1532 -8.1531 -7.6278 -7.6272 -7.4767 -7.4760 -7.2706 -7.2697 -3.5101 -3.4853 -3.4513 -3.4372 -2.8837 -2.8504 -2.8107 -2.7923 -2.7706 -2.7639 -0.7513 -0.7305 0.2010 0.2462 1.0050 1.0577 1.2792 1.3248 1.6466 1.7491 1.9526 2.0330 2.1830 2.2001 2.8135 2.8826 3.0868 3.1527 3.3929 3.5460 3.8523 3.8816 4.2274 4.2729 8.5507 8.5589 8.7075 8.7268 8.9694 9.0001 9.1959 9.2481 k =-0.2239 0.2942 0.3697 ( 4713 PWs) bands (ev): -8.1767 -8.1766 -7.6096 -7.6090 -7.4684 -7.4677 -7.2680 -7.2672 -3.5081 -3.4836 -3.4487 -3.4371 -2.8798 -2.8487 -2.8088 -2.7935 -2.7685 -2.7638 -0.7755 -0.7573 0.1909 0.2371 1.0091 1.0615 1.3173 1.3581 1.6356 1.7385 1.9194 2.0070 2.1819 2.1964 2.8250 2.8781 3.1003 3.1537 3.4347 3.5875 3.8173 3.8470 4.2172 4.2668 8.5611 8.5677 8.7217 8.7457 9.0025 9.0382 9.1872 9.2292 k =-0.2149 0.2824 0.3549 ( 4705 PWs) bands (ev): -8.2003 -8.2002 -7.5914 -7.5909 -7.4598 -7.4590 -7.2655 -7.2647 -3.5058 -3.4818 -3.4463 -3.4371 -2.8758 -2.8468 -2.8070 -2.7947 -2.7667 -2.7637 -0.7992 -0.7835 0.1817 0.2289 1.0045 1.0537 1.3674 1.4000 1.6251 1.7273 1.8868 1.9787 2.1802 2.1962 2.8426 2.8796 3.1138 3.1530 3.4770 3.6280 3.7794 3.8111 4.2060 4.2609 8.5472 8.5562 8.7457 8.7726 9.0163 9.0651 9.1795 9.1948 k =-0.2060 0.2707 0.3401 ( 4705 PWs) bands (ev): -8.2238 -8.2237 -7.5733 -7.5728 -7.4508 -7.4500 -7.2631 -7.2623 -3.5033 -3.4800 -3.4441 -3.4372 -2.8715 -2.8448 -2.8052 -2.7958 -2.7653 -2.7635 -0.8224 -0.8090 0.1737 0.2219 0.9950 1.0406 1.4223 1.4453 1.6157 1.7151 1.8560 1.9497 2.1770 2.1976 2.8663 2.8878 3.1266 3.1507 3.5194 3.6634 3.7398 3.7780 4.1944 4.2558 8.5146 8.5260 8.7755 8.8024 8.9845 9.0333 9.1911 9.1951 k =-0.1970 0.2589 0.3253 ( 4715 PWs) bands (ev): -8.2471 -8.2470 -7.5554 -7.5549 -7.4417 -7.4409 -7.2608 -7.2600 -3.5006 -3.4781 -3.4421 -3.4373 -2.8671 -2.8427 -2.8036 -2.7970 -2.7649 -2.7627 -0.8450 -0.8337 0.1670 0.2163 0.9833 1.0258 1.4765 1.4894 1.6086 1.7022 1.8285 1.9216 2.1727 2.1989 2.8928 2.9048 3.1350 3.1500 3.5606 3.6757 3.7013 3.7654 4.1831 4.2521 8.4670 8.4802 8.8054 8.8300 8.9124 8.9485 9.2307 9.2345 k =-0.1881 0.2471 0.3105 ( 4713 PWs) bands (ev): -8.2700 -8.2700 -7.5376 -7.5371 -7.4326 -7.4317 -7.2585 -7.2578 -3.4978 -3.4762 -3.4403 -3.4373 -2.8625 -2.8404 -2.8021 -2.7980 -2.7651 -2.7616 -0.8668 -0.8573 0.1616 0.2119 0.9712 1.0112 1.5177 1.5325 1.6077 1.6898 1.8062 1.8957 2.1678 2.1993 2.9140 2.9367 3.1310 3.1600 3.5937 3.6559 3.6646 3.7897 4.1726 4.2503 8.4065 8.4213 8.8001 8.8227 8.8525 8.8827 9.2452 9.2826 k =-0.1791 0.2354 0.2958 ( 4703 PWs) bands (ev): -8.2925 -8.2924 -7.5201 -7.5197 -7.4234 -7.4225 -7.2563 -7.2557 -3.4948 -3.4743 -3.4391 -3.4370 -2.8578 -2.8380 -2.8010 -2.7987 -2.7655 -2.7605 -0.8878 -0.8798 0.1577 0.2090 0.9597 0.9977 1.5332 1.5710 1.6187 1.6819 1.7914 1.8743 2.1624 2.1983 2.9337 2.9752 3.1218 3.1760 3.5841 3.6252 3.6667 3.8284 4.1638 4.2506 8.3347 8.3509 8.7059 8.7252 8.8711 8.8978 9.2502 9.3021 k =-0.1702 0.2236 0.2810 ( 4715 PWs) bands (ev): -8.3144 -8.3143 -7.5030 -7.5026 -7.4143 -7.4134 -7.2542 -7.2537 -3.4918 -3.4725 -3.4388 -3.4361 -2.8531 -2.8354 -2.8010 -2.7984 -2.7661 -2.7597 -0.9079 -0.9011 0.1552 0.2075 0.9495 0.9860 1.5311 1.5851 1.6386 1.6838 1.7880 1.8610 2.1570 2.1961 2.9517 3.0120 3.1149 3.1966 3.5459 3.5858 3.7047 3.8705 4.1572 4.2533 8.2531 8.2704 8.6009 8.6167 8.8908 8.9189 9.2608 9.3100 k =-0.1612 0.2118 0.2662 ( 4715 PWs) bands (ev): -8.3357 -8.3356 -7.4863 -7.4859 -7.4054 -7.4045 -7.2523 -7.2518 -3.4887 -3.4706 -3.4388 -3.4350 -2.8483 -2.8328 -2.8018 -2.7974 -2.7668 -2.7590 -0.9272 -0.9211 0.1541 0.2073 0.9412 0.9765 1.5210 1.5759 1.6527 1.6890 1.7996 1.8609 2.1518 2.1926 2.9656 3.0326 3.1237 3.2228 3.5052 3.5490 3.7466 3.9131 4.1532 4.2586 8.1631 8.1813 8.4946 8.5077 8.9022 8.9349 9.2775 9.3233 k =-0.1522 0.2001 0.2514 ( 4705 PWs) bands (ev): -8.3562 -8.3561 -7.4700 -7.4696 -7.3966 -7.3957 -7.2504 -7.2500 -3.4855 -3.4689 -3.4390 -3.4340 -2.8435 -2.8300 -2.8026 -2.7964 -2.7677 -2.7586 -0.9455 -0.9397 0.1544 0.2084 0.9349 0.9694 1.5074 1.5572 1.6533 1.6867 1.8237 1.8761 2.1469 2.1881 2.9737 3.0279 3.1549 3.2528 3.4688 3.5183 3.7892 3.9553 4.1524 4.2661 8.0663 8.0851 8.3895 8.4004 8.9030 8.9418 9.3008 9.3433 k =-0.1433 0.1883 0.2366 ( 4705 PWs) bands (ev): -8.3759 -8.3758 -7.4542 -7.4539 -7.3881 -7.3873 -7.2487 -7.2483 -3.4824 -3.4671 -3.4393 -3.4333 -2.8388 -2.8272 -2.8034 -2.7954 -2.7686 -2.7583 -0.9629 -0.9569 0.1561 0.2107 0.9309 0.9648 1.4916 1.5356 1.6441 1.6756 1.8525 1.9021 2.1427 2.1825 2.9762 3.0109 3.1910 3.2790 3.4449 3.4991 3.8318 3.9963 4.1551 4.2759 7.9641 7.9831 8.2869 8.2959 8.8924 8.9367 9.3310 9.3711 k =-0.1343 0.1765 0.2218 ( 4735 PWs) bands (ev): -8.3947 -8.3946 -7.4390 -7.4388 -7.3799 -7.3791 -7.2471 -7.2467 -3.4792 -3.4655 -3.4395 -3.4327 -2.8342 -2.8243 -2.8041 -2.7944 -2.7697 -2.7583 -0.9791 -0.9729 0.1591 0.2141 0.9294 0.9631 1.4744 1.5138 1.6291 1.6600 1.8800 1.9322 2.1391 2.1760 2.9746 2.9906 3.2164 3.2854 3.4483 3.4994 3.8742 4.0354 4.1616 4.2875 7.8577 7.8767 8.1879 8.1953 8.8707 8.9185 9.3679 9.4065 k =-0.1254 0.1647 0.2070 ( 4741 PWs) bands (ev): -8.4126 -8.4125 -7.4245 -7.4242 -7.3721 -7.3713 -7.2456 -7.2453 -3.4762 -3.4639 -3.4397 -3.4323 -2.8299 -2.8213 -2.8047 -2.7935 -2.7709 -2.7584 -0.9942 -0.9876 0.1633 0.2185 0.9305 0.9643 1.4562 1.4930 1.6099 1.6431 1.9030 1.9619 2.1365 2.1684 2.9693 2.9717 3.2228 3.2675 3.4823 3.5248 3.9163 4.0718 4.1723 4.3005 7.7485 7.7671 8.0930 8.0991 8.8391 8.8880 9.4104 9.4487 k =-0.1164 0.1530 0.1922 ( 4745 PWs) bands (ev): -8.4294 -8.4293 -7.4106 -7.4104 -7.3647 -7.3639 -7.2443 -7.2440 -3.4732 -3.4625 -3.4398 -3.4322 -2.8258 -2.8184 -2.8052 -2.7925 -2.7722 -2.7586 -1.0081 -1.0011 0.1685 0.2235 0.9343 0.9684 1.4374 1.4734 1.5880 1.6263 1.9196 1.9879 2.1351 2.1602 2.9521 2.9664 3.2121 3.2381 3.5335 3.5712 3.9581 4.1047 4.1879 4.3145 7.6378 7.6558 8.0029 8.0079 8.7995 8.8476 9.4575 9.4963 k =-0.1075 0.1412 0.1775 ( 4733 PWs) bands (ev): -8.4452 -8.4451 -7.3975 -7.3973 -7.3577 -7.3569 -7.2431 -7.2429 -3.4703 -3.4611 -3.4400 -3.4322 -2.8220 -2.8155 -2.8055 -2.7915 -2.7735 -2.7590 -1.0208 -1.0135 0.1747 0.2292 0.9408 0.9754 1.4189 1.4551 1.5642 1.6095 1.9287 2.0080 2.1350 2.1521 2.9375 2.9627 3.1914 3.2058 3.5929 3.6294 3.9999 4.1335 4.2085 4.3292 7.5267 7.5439 7.9180 7.9221 8.7543 8.8000 9.5078 9.5477 k =-0.0985 0.1294 0.1627 ( 4733 PWs) bands (ev): -8.4599 -8.4598 -7.3852 -7.3850 -7.3511 -7.3504 -7.2421 -7.2419 -3.4676 -3.4598 -3.4401 -3.4325 -2.8185 -2.8129 -2.8056 -2.7904 -2.7749 -2.7596 -1.0322 -1.0248 0.1818 0.2352 0.9500 0.9855 1.4012 1.4378 1.5396 1.5927 1.9301 2.0199 2.1359 2.1463 2.9272 2.9606 3.1661 3.1746 3.6555 3.6927 4.0418 4.1590 4.2330 4.3441 7.4165 7.4327 7.8388 7.8420 8.7055 8.7480 9.5599 9.6014 k =-0.0896 0.1177 0.1479 ( 4733 PWs) bands (ev): -8.4734 -8.4733 -7.3737 -7.3736 -7.3450 -7.3444 -7.2412 -7.2410 -3.4650 -3.4585 -3.4402 -3.4329 -2.8154 -2.8107 -2.8055 -2.7892 -2.7763 -2.7602 -1.0425 -1.0351 0.1894 0.2412 0.9618 0.9985 1.3848 1.4215 1.5145 1.5757 1.9242 2.0214 2.1368 2.1452 2.9214 2.9606 3.1388 3.1465 3.7183 3.7567 4.0843 4.1832 4.2595 4.3587 7.3083 7.3234 7.7654 7.7680 8.6551 8.6941 9.6128 9.6562 k =-0.0806 0.1059 0.1331 ( 4729 PWs) bands (ev): -8.4858 -8.4857 -7.3631 -7.3629 -7.3394 -7.3389 -7.2405 -7.2403 -3.4625 -3.4574 -3.4402 -3.4335 -2.8126 -2.8090 -2.8050 -2.7878 -2.7777 -2.7608 -1.0515 -1.0443 0.1976 0.2472 0.9761 1.0142 1.3699 1.4060 1.4894 1.5582 1.9124 2.0124 2.1387 2.1481 2.9199 2.9625 3.1123 3.1215 3.7787 3.8186 4.1275 4.2079 4.2863 4.3728 7.2033 7.2172 7.6982 7.7002 8.6050 8.6402 9.6653 9.7104 k =-0.0716 0.0941 0.1183 ( 4723 PWs) bands (ev): -8.4969 -8.4968 -7.3534 -7.3533 -7.3344 -7.3339 -7.2399 -7.2397 -3.4602 -3.4562 -3.4403 -3.4343 -2.8100 -2.8079 -2.8043 -2.7865 -2.7787 -2.7615 -1.0594 -1.0525 0.2061 0.2528 0.9927 1.0325 1.3566 1.3915 1.4645 1.5402 1.8965 1.9950 2.1423 2.1521 2.9219 2.9656 3.0884 3.0995 3.8348 3.8758 4.1718 4.2346 4.3120 4.3860 7.1030 7.1155 7.6375 7.6390 8.5568 8.5880 9.7163 9.7626 k =-0.0627 0.0824 0.1035 ( 4721 PWs) bands (ev): -8.5068 -8.5067 -7.3447 -7.3446 -7.3299 -7.3295 -7.2395 -7.2392 -3.4582 -3.4552 -3.4404 -3.4351 -2.8077 -2.8071 -2.8035 -2.7858 -2.7791 -2.7623 -1.0662 -1.0598 0.2148 0.2578 1.0114 1.0530 1.3449 1.3782 1.4401 1.5214 1.8784 1.9723 2.1467 2.1560 2.9265 2.9692 3.0682 3.0807 3.8852 3.9262 4.2170 4.2642 4.3359 4.3980 7.0085 7.0197 7.5834 7.5845 8.5116 8.5389 9.7650 9.8113 k =-0.0537 0.0706 0.0887 ( 4719 PWs) bands (ev): -8.5154 -8.5154 -7.3371 -7.3369 -7.3260 -7.3256 -7.2392 -7.2389 -3.4563 -3.4541 -3.4405 -3.4361 -2.8065 -2.8056 -2.8029 -2.7861 -2.7784 -2.7631 -1.0719 -1.0661 0.2233 0.2620 1.0319 1.0753 1.3341 1.3667 1.4165 1.5016 1.8599 1.9468 2.1508 2.1594 2.9323 2.9719 3.0525 3.0656 3.9288 3.9681 4.2622 4.2964 4.3575 4.4086 6.9214 6.9312 7.5361 7.5370 8.4707 8.4940 9.8105 9.8547 k =-0.0448 0.0588 0.0739 ( 4727 PWs) bands (ev): -8.5227 -8.5227 -7.3305 -7.3303 -7.3226 -7.3223 -7.2390 -7.2387 -3.4546 -3.4531 -3.4406 -3.4370 -2.8059 -2.8037 -2.8023 -2.7872 -2.7769 -2.7638 -1.0766 -1.0715 0.2316 0.2653 1.0537 1.0986 1.3232 1.3580 1.3940 1.4807 1.8430 1.9205 2.1544 2.1620 2.9383 2.9726 3.0418 3.0543 3.9654 4.0010 4.3061 4.3302 4.3767 4.4174 6.8435 6.8518 7.4958 7.4966 8.4348 8.4542 9.8518 9.8914 k =-0.0358 0.0471 0.0592 ( 4719 PWs) bands (ev): -8.5288 -8.5287 -7.3250 -7.3248 -7.3199 -7.3196 -7.2389 -7.2386 -3.4532 -3.4521 -3.4408 -3.4380 -2.8053 -2.8026 -2.8014 -2.7887 -2.7752 -2.7647 -1.0802 -1.0760 0.2395 0.2673 1.0764 1.1216 1.3119 1.3531 1.3732 1.4588 1.8292 1.8948 2.1574 2.1638 2.9434 2.9708 3.0360 3.0468 3.9951 4.0254 4.3466 4.3630 4.3934 4.4244 6.7763 6.7831 7.4627 7.4634 8.4049 8.4204 9.8882 9.9201 k =-0.0269 0.0353 0.0444 ( 4723 PWs) bands (ev): -8.5334 -8.5334 -7.3206 -7.3204 -7.3177 -7.3175 -7.2388 -7.2386 -3.4521 -3.4513 -3.4409 -3.4389 -2.8046 -2.8024 -2.7999 -2.7903 -2.7734 -2.7656 -1.0829 -1.0797 0.2467 0.2682 1.0993 1.1424 1.3011 1.3490 1.3571 1.4366 1.8196 1.8712 2.1598 2.1648 2.9473 2.9671 3.0341 3.0426 4.0185 4.0420 4.3813 4.3917 4.4079 4.4294 6.7218 6.7269 7.4369 7.4374 8.3814 8.3930 9.9189 9.9404 k =-0.0179 0.0235 0.0296 ( 4705 PWs) bands (ev): -8.5368 -8.5368 -7.3175 -7.3173 -7.3161 -7.3160 -7.2388 -7.2386 -3.4511 -3.4506 -3.4410 -3.4397 -2.8040 -2.8024 -2.7983 -2.7919 -2.7717 -2.7665 -1.0846 -1.0824 0.2531 0.2677 1.1214 1.1575 1.2937 1.3333 1.3584 1.4150 1.8151 1.8507 2.1617 2.1652 2.9501 2.9628 3.0344 3.0403 4.0360 4.0520 4.4075 4.4123 4.4217 4.4325 6.6816 6.6851 7.4184 7.4188 8.3649 8.3726 9.9428 9.9531 k =-0.0090 0.0118 0.0148 ( 4697 PWs) bands (ev): -8.5388 -8.5388 -7.3156 -7.3155 -7.3151 -7.3151 -7.2387 -7.2387 -3.4505 -3.4502 -3.4409 -3.4403 -2.8035 -2.8027 -2.7967 -2.7935 -2.7702 -2.7676 -1.0854 -1.0843 0.2586 0.2660 1.1412 1.1625 1.2937 1.3166 1.3663 1.3952 1.8160 1.8342 2.1632 2.1650 2.9527 2.9588 3.0358 3.0388 4.0479 4.0560 4.4207 4.4248 4.4335 4.4349 6.6572 6.6589 7.4074 7.4075 8.3556 8.3595 9.9572 9.9598 k = 0.0000 0.0000 0.0000 ( 4699 PWs) bands (ev): -8.5395 -8.5395 -7.3150 -7.3150 -7.3147 -7.3147 -7.2387 -7.2387 -3.4502 -3.4502 -3.4408 -3.4408 -2.8030 -2.8030 -2.7952 -2.7952 -2.7688 -2.7688 -1.0853 -1.0853 0.2629 0.2629 1.1561 1.1561 1.3023 1.3023 1.3787 1.3787 1.8225 1.8225 2.1643 2.1643 2.9554 2.9554 3.0374 3.0374 4.0546 4.0546 4.4261 4.4261 4.4377 4.4377 6.6495 6.6495 7.4037 7.4037 8.3538 8.3538 9.9615 9.9615 k = 0.0000 0.0000 0.0000 ( 4699 PWs) bands (ev): -8.5395 -8.5395 -7.3150 -7.3150 -7.3147 -7.3147 -7.2387 -7.2387 -3.4502 -3.4502 -3.4408 -3.4408 -2.8030 -2.8030 -2.7952 -2.7952 -2.7688 -2.7688 -1.0853 -1.0853 0.2629 0.2629 1.1561 1.1561 1.3023 1.3023 1.3787 1.3787 1.8225 1.8225 2.1643 2.1643 2.9554 2.9554 3.0374 3.0374 4.0546 4.0546 4.4261 4.4261 4.4377 4.4377 6.6495 6.6495 7.4037 7.4037 8.3538 8.3538 9.9615 9.9615 k = 0.0167 0.0127 0.0000 ( 4715 PWs) bands (ev): -8.5388 -8.5388 -7.3150 -7.3150 -7.3147 -7.3147 -7.2398 -7.2398 -3.4506 -3.4506 -3.4406 -3.4406 -2.8043 -2.8043 -2.7941 -2.7941 -2.7689 -2.7689 -1.0838 -1.0838 0.2592 0.2592 1.1607 1.1607 1.3035 1.3035 1.3801 1.3801 1.8175 1.8175 2.1701 2.1701 2.9564 2.9564 3.0384 3.0384 4.0519 4.0519 4.4216 4.4216 4.4358 4.4358 6.6548 6.6548 7.4076 7.4076 8.3547 8.3547 9.9431 9.9431 k = 0.0333 0.0254 0.0000 ( 4739 PWs) bands (ev): -8.5366 -8.5366 -7.3151 -7.3151 -7.3148 -7.3148 -7.2431 -7.2431 -3.4516 -3.4516 -3.4402 -3.4402 -2.8072 -2.8072 -2.7921 -2.7921 -2.7690 -2.7690 -1.0793 -1.0793 0.2484 0.2484 1.1742 1.1742 1.3072 1.3072 1.3842 1.3842 1.8036 1.8036 2.1868 2.1868 2.9593 2.9593 3.0413 3.0413 4.0438 4.0438 4.4081 4.4081 4.4300 4.4300 6.6704 6.6704 7.4191 7.4191 8.3575 8.3575 9.8930 9.8930 k = 0.0500 0.0381 0.0000 ( 4735 PWs) bands (ev): -8.5329 -8.5329 -7.3153 -7.3153 -7.3150 -7.3150 -7.2486 -7.2486 -3.4532 -3.4532 -3.4398 -3.4398 -2.8106 -2.8106 -2.7900 -2.7900 -2.7693 -2.7693 -1.0719 -1.0719 0.2312 0.2312 1.1954 1.1954 1.3135 1.3135 1.3913 1.3913 1.7831 1.7831 2.2120 2.2120 2.9641 2.9641 3.0462 3.0462 4.0302 4.0302 4.3865 4.3865 4.4206 4.4206 6.6957 6.6957 7.4382 7.4382 8.3622 8.3622 9.8205 9.8205 k = 0.0667 0.0507 0.0000 ( 4735 PWs) bands (ev): -8.5278 -8.5278 -7.3155 -7.3155 -7.3152 -7.3152 -7.2562 -7.2562 -3.4551 -3.4551 -3.4394 -3.4394 -2.8143 -2.8143 -2.7881 -2.7881 -2.7696 -2.7696 -1.0617 -1.0617 0.2088 0.2088 1.2226 1.2226 1.3227 1.3227 1.4015 1.4015 1.7582 1.7582 2.2434 2.2434 2.9708 2.9708 3.0529 3.0529 4.0110 4.0110 4.3579 4.3579 4.4075 4.4075 6.7299 6.7299 7.4646 7.4646 8.3687 8.3687 9.7328 9.7328 k = 0.0833 0.0634 0.0000 ( 4739 PWs) bands (ev): -8.5213 -8.5213 -7.3157 -7.3157 -7.3155 -7.3155 -7.2659 -7.2659 -3.4573 -3.4573 -3.4391 -3.4391 -2.8183 -2.8183 -2.7866 -2.7866 -2.7700 -2.7700 -1.0487 -1.0487 0.1823 0.1823 1.2534 1.2534 1.3354 1.3354 1.4152 1.4152 1.7310 1.7310 2.2791 2.2791 2.9793 2.9793 3.0614 3.0614 3.9861 3.9861 4.3236 4.3236 4.3910 4.3910 6.7719 6.7719 7.4979 7.4979 8.3769 8.3769 9.6345 9.6345 k = 0.1000 0.0761 0.0000 ( 4740 PWs) bands (ev): -8.5133 -8.5133 -7.3161 -7.3161 -7.3159 -7.3159 -7.2777 -7.2777 -3.4597 -3.4597 -3.4390 -3.4390 -2.8223 -2.8223 -2.7854 -2.7854 -2.7704 -2.7704 -1.0333 -1.0333 0.1529 0.1529 1.2843 1.2843 1.3526 1.3526 1.4333 1.4333 1.7028 1.7028 2.3179 2.3179 2.9895 2.9895 3.0716 3.0716 3.9554 3.9554 4.2852 4.2852 4.3712 4.3712 6.8208 6.8208 7.5375 7.5375 8.3867 8.3867 9.5286 9.5286 k = 0.1167 0.0888 0.0000 ( 4732 PWs) bands (ev): -8.5039 -8.5039 -7.3165 -7.3165 -7.3163 -7.3163 -7.2915 -7.2915 -3.4622 -3.4622 -3.4391 -3.4391 -2.8263 -2.8263 -2.7847 -2.7847 -2.7707 -2.7707 -1.0155 -1.0155 0.1216 0.1216 1.3116 1.3116 1.3753 1.3753 1.4571 1.4571 1.6750 1.6750 2.3587 2.3587 3.0013 3.0013 3.0833 3.0834 3.9189 3.9189 4.2442 4.2442 4.3483 4.3483 6.8754 6.8754 7.5829 7.5829 8.3980 8.3980 9.4172 9.4172 k = 0.1333 0.1015 0.0000 ( 4740 PWs) bands (ev): -8.4931 -8.4931 -7.3169 -7.3169 -7.3168 -7.3168 -7.3071 -7.3071 -3.4649 -3.4649 -3.4394 -3.4394 -2.8304 -2.8304 -2.7844 -2.7844 -2.7711 -2.7711 -0.9956 -0.9956 0.0892 0.0892 1.3339 1.3339 1.4016 1.4016 1.4882 1.4882 1.6485 1.6485 2.4009 2.4009 3.0146 3.0146 3.0965 3.0965 3.8769 3.8769 4.2019 4.2019 4.3228 4.3228 6.9348 6.9348 7.6331 7.6331 8.4105 8.4105 9.3021 9.3021 k = 0.1500 0.1142 0.0000 ( 4740 PWs) bands (ev): -8.4810 -8.4810 -7.3251 -7.3251 -7.3173 -7.3173 -7.3169 -7.3169 -3.4676 -3.4676 -3.4399 -3.4399 -2.8344 -2.8344 -2.7845 -2.7845 -2.7715 -2.7715 -0.9738 -0.9738 0.0567 0.0567 1.3525 1.3525 1.4284 1.4284 1.5260 1.5260 1.6253 1.6253 2.4441 2.4441 3.0291 3.0291 3.1108 3.1108 3.8297 3.8297 4.1592 4.1592 4.2948 4.2948 6.9981 6.9981 7.6870 7.6870 8.4241 8.4241 9.1847 9.1847 k = 0.1667 0.1268 0.0000 ( 4748 PWs) bands (ev): -8.4674 -8.4674 -7.3444 -7.3444 -7.3179 -7.3179 -7.3176 -7.3176 -3.4703 -3.4703 -3.4406 -3.4406 -2.8384 -2.8384 -2.7849 -2.7849 -2.7720 -2.7720 -0.9506 -0.9506 0.0246 0.0246 1.3682 1.3682 1.4543 1.4543 1.5631 1.5631 1.6124 1.6124 2.4879 2.4879 3.0446 3.0446 3.1260 3.1260 3.7782 3.7782 4.1170 4.1170 4.2647 4.2647 7.0647 7.0647 7.7435 7.7435 8.4385 8.4385 9.0663 9.0663 k = 0.1833 0.1395 0.0000 ( 4724 PWs) bands (ev): -8.4525 -8.4525 -7.3654 -7.3654 -7.3184 -7.3184 -7.3181 -7.3181 -3.4731 -3.4731 -3.4414 -3.4414 -2.8422 -2.8422 -2.7856 -2.7856 -2.7725 -2.7725 -0.9262 -0.9262 -0.0066 -0.0066 1.3809 1.3809 1.4795 1.4795 1.5710 1.5710 1.6377 1.6377 2.5318 2.5318 3.0610 3.0610 3.1419 3.1419 3.7232 3.7232 4.0757 4.0757 4.2329 4.2329 7.1339 7.1339 7.8009 7.8009 8.4534 8.4534 8.9478 8.9478 k = 0.2000 0.1522 0.0000 ( 4728 PWs) bands (ev): -8.4363 -8.4363 -7.3880 -7.3880 -7.3190 -7.3190 -7.3187 -7.3187 -3.4758 -3.4758 -3.4424 -3.4424 -2.8459 -2.8459 -2.7866 -2.7866 -2.7731 -2.7731 -0.9010 -0.9010 -0.0364 -0.0364 1.3892 1.3892 1.5043 1.5043 1.5648 1.5648 1.6864 1.6864 2.5758 2.5758 3.0779 3.0779 3.1579 3.1579 3.6659 3.6659 4.0356 4.0356 4.1999 4.1999 7.2051 7.2051 7.8577 7.8577 8.4683 8.4683 8.8302 8.8302 k = 0.2167 0.1649 0.0000 ( 4740 PWs) bands (ev): -8.4188 -8.4188 -7.4122 -7.4122 -7.3196 -7.3196 -7.3193 -7.3193 -3.4785 -3.4785 -3.4435 -3.4435 -2.8494 -2.8494 -2.7876 -2.7876 -2.7738 -2.7738 -0.8754 -0.8754 -0.0642 -0.0642 1.3913 1.3913 1.5284 1.5284 1.5651 1.5651 1.7392 1.7392 2.6194 2.6194 3.0951 3.0951 3.1735 3.1735 3.6076 3.6076 3.9971 3.9971 4.1660 4.1660 7.2777 7.2777 7.9120 7.9120 8.4826 8.4826 8.7143 8.7143 k = 0.2333 0.1776 0.0000 ( 4732 PWs) bands (ev): -8.4001 -8.4001 -7.4377 -7.4377 -7.3202 -7.3202 -7.3199 -7.3199 -3.4811 -3.4811 -3.4447 -3.4447 -2.8528 -2.8528 -2.7888 -2.7888 -2.7747 -2.7747 -0.8498 -0.8498 -0.0899 -0.0899 1.3868 1.3868 1.5504 1.5504 1.5762 1.5762 1.7928 1.7928 2.6625 2.6625 3.1120 3.1120 3.1882 3.1882 3.5495 3.5495 3.9603 3.9603 4.1318 4.1318 7.3509 7.3509 7.9619 7.9619 8.4943 8.4943 8.6016 8.6016 k = 0.2500 0.1903 0.0000 ( 4712 PWs) bands (ev): -8.3801 -8.3801 -7.4645 -7.4645 -7.3208 -7.3208 -7.3205 -7.3205 -3.4836 -3.4836 -3.4460 -3.4460 -2.8560 -2.8560 -2.7900 -2.7900 -2.7757 -2.7757 -0.8248 -0.8248 -0.1129 -0.1129 1.3771 1.3771 1.5708 1.5708 1.5968 1.5968 1.8457 1.8457 2.7049 2.7049 3.1284 3.1284 3.2008 3.2008 3.4932 3.4932 3.9257 3.9257 4.0978 4.0978 7.4237 7.4237 8.0058 8.0058 8.4763 8.4763 8.5005 8.5005 k = 0.2667 0.2029 0.0000 ( 4712 PWs) bands (ev): -8.3590 -8.3590 -7.4925 -7.4925 -7.3214 -7.3214 -7.3211 -7.3211 -3.4860 -3.4860 -3.4474 -3.4474 -2.8589 -2.8589 -2.7912 -2.7912 -2.7768 -2.7768 -0.8008 -0.8008 -0.1330 -0.1330 1.3642 1.3642 1.5921 1.5921 1.6221 1.6221 1.8971 1.8971 2.7462 2.7462 3.1437 3.1437 3.2102 3.2102 3.4404 3.4404 3.8938 3.8938 4.0645 4.0645 7.4948 7.4948 8.0423 8.0423 8.3785 8.3785 8.4027 8.4027 k = 0.2833 0.2156 0.0000 ( 4708 PWs) bands (ev): -8.3367 -8.3367 -7.5215 -7.5215 -7.3220 -7.3220 -7.3217 -7.3217 -3.4883 -3.4883 -3.4488 -3.4488 -2.8617 -2.8617 -2.7925 -2.7925 -2.7780 -2.7780 -0.7782 -0.7782 -0.1499 -0.1499 1.3499 1.3499 1.6153 1.6153 1.6491 1.6491 1.9462 1.9462 2.7862 2.7862 3.1573 3.1573 3.2143 3.2143 3.3934 3.3934 3.8651 3.8651 4.0325 4.0325 7.5622 7.5622 8.0712 8.0712 8.2766 8.2766 8.3020 8.3020 k = 0.3000 0.2283 0.0000 ( 4692 PWs) bands (ev): -8.3133 -8.3133 -7.5514 -7.5514 -7.3226 -7.3226 -7.3223 -7.3223 -3.4904 -3.4904 -3.4503 -3.4503 -2.8642 -2.8642 -2.7936 -2.7936 -2.7794 -2.7794 -0.7576 -0.7576 -0.1635 -0.1635 1.3354 1.3354 1.6401 1.6401 1.6768 1.6768 1.9923 1.9923 2.8247 2.8247 3.1681 3.1681 3.2110 3.2110 3.3554 3.3554 3.8403 3.8403 4.0024 4.0024 7.6231 7.6231 8.0929 8.0929 8.1800 8.1800 8.2055 8.2055 k = 0.3167 0.2410 0.0000 ( 4700 PWs) bands (ev): -8.2889 -8.2889 -7.5821 -7.5821 -7.3231 -7.3231 -7.3229 -7.3229 -3.4924 -3.4924 -3.4517 -3.4517 -2.8665 -2.8665 -2.7947 -2.7947 -2.7807 -2.7807 -0.7393 -0.7393 -0.1735 -0.1735 1.3213 1.3213 1.6658 1.6658 1.7044 1.7044 2.0349 2.0349 2.8615 2.8615 3.1724 3.1724 3.2012 3.2013 3.3287 3.3287 3.8198 3.8198 3.9746 3.9746 7.6737 7.6737 8.0772 8.0772 8.1072 8.1072 8.1310 8.1310 k = 0.3333 0.2537 0.0000 ( 4700 PWs) bands (ev): -8.2635 -8.2635 -7.6135 -7.6135 -7.3237 -7.3237 -7.3234 -7.3234 -3.4942 -3.4942 -3.4531 -3.4531 -2.8686 -2.8686 -2.7957 -2.7957 -2.7822 -2.7822 -0.7236 -0.7236 -0.1801 -0.1801 1.3080 1.3080 1.6919 1.6919 1.7316 1.7316 2.0733 2.0733 2.8962 2.8962 3.1601 3.1601 3.1969 3.1969 3.3115 3.3115 3.8041 3.8041 3.9497 3.9497 7.7101 7.7101 7.9946 7.9946 8.0247 8.0247 8.1471 8.1471 k = 0.3500 0.2664 0.0000 ( 4704 PWs) bands (ev): -8.2372 -8.2372 -7.6454 -7.6454 -7.3242 -7.3242 -7.3240 -7.3240 -3.4958 -3.4958 -3.4545 -3.4545 -2.8705 -2.8705 -2.7966 -2.7966 -2.7837 -2.7837 -0.7106 -0.7106 -0.1835 -0.1835 1.2958 1.2958 1.7177 1.7177 1.7579 1.7579 2.1071 2.1071 2.9286 2.9286 3.1358 3.1358 3.1984 3.1984 3.2993 3.2993 3.7932 3.7932 3.9279 3.9280 7.7300 7.7300 7.9143 7.9143 7.9448 7.9448 8.1765 8.1765 k = 0.3667 0.2790 0.0000 ( 4700 PWs) bands (ev): -8.2101 -8.2101 -7.6777 -7.6777 -7.3246 -7.3246 -7.3244 -7.3244 -3.4973 -3.4973 -3.4558 -3.4558 -2.8722 -2.8722 -2.7974 -2.7974 -2.7851 -2.7851 -0.7002 -0.7002 -0.1840 -0.1840 1.2849 1.2849 1.7428 1.7428 1.7830 1.7830 2.1361 2.1361 2.9584 2.9584 3.1101 3.1101 3.1991 3.1991 3.2884 3.2884 3.7869 3.7869 3.9096 3.9096 7.7342 7.7342 7.8404 7.8404 7.8715 7.8715 8.2102 8.2102 k = 0.3833 0.2917 0.0000 ( 4708 PWs) bands (ev): -8.1823 -8.1823 -7.7102 -7.7102 -7.3251 -7.3251 -7.3249 -7.3249 -3.4985 -3.4985 -3.4570 -3.4570 -2.8736 -2.8736 -2.7980 -2.7980 -2.7866 -2.7866 -0.6923 -0.6923 -0.1822 -0.1822 1.2753 1.2753 1.7666 1.7666 1.8063 1.8063 2.1601 2.1601 2.9854 2.9854 3.0870 3.0870 3.1978 3.1978 3.2773 3.2773 3.7845 3.7845 3.8945 3.8945 7.7260 7.7260 7.7744 7.7744 7.8058 7.8058 8.2411 8.2411 k = 0.4000 0.3044 0.0000 ( 4704 PWs) bands (ev): -8.1539 -8.1539 -7.7428 -7.7428 -7.3255 -7.3255 -7.3252 -7.3252 -3.4996 -3.4996 -3.4581 -3.4581 -2.8749 -2.8749 -2.7985 -2.7985 -2.7879 -2.7879 -0.6865 -0.6865 -0.1788 -0.1788 1.2671 1.2671 1.7886 1.7886 1.8276 1.8276 2.1794 2.1794 3.0091 3.0091 3.0680 3.0680 3.1945 3.1945 3.2659 3.2659 3.7853 3.7853 3.8826 3.8826 7.7043 7.7043 7.7214 7.7214 7.7489 7.7489 8.2610 8.2610 k = 0.4167 0.3171 0.0000 ( 4676 PWs) bands (ev): -8.1252 -8.1252 -7.7751 -7.7751 -7.3258 -7.3258 -7.3256 -7.3256 -3.5006 -3.5006 -3.4590 -3.4590 -2.8759 -2.8759 -2.7989 -2.7989 -2.7892 -2.7892 -0.6824 -0.6824 -0.1743 -0.1743 1.2602 1.2602 1.8083 1.8083 1.8464 1.8464 2.1942 2.1942 3.0282 3.0282 3.0544 3.0544 3.1899 3.1899 3.2544 3.2544 3.7882 3.7882 3.8735 3.8735 7.6604 7.6604 7.6882 7.6882 7.7076 7.7076 8.2670 8.2670 k = 0.4333 0.3298 0.0000 ( 4664 PWs) bands (ev): -8.0964 -8.0964 -7.8069 -7.8069 -7.3261 -7.3261 -7.3259 -7.3259 -3.5013 -3.5013 -3.4598 -3.4598 -2.8768 -2.8768 -2.7992 -2.7992 -2.7903 -2.7903 -0.6798 -0.6798 -0.1696 -0.1696 1.2547 1.2547 1.8252 1.8252 1.8623 1.8623 2.2051 2.2051 3.0351 3.0351 3.0535 3.0535 3.1847 3.1847 3.2436 3.2436 3.7923 3.7923 3.8667 3.8667 7.6190 7.6190 7.6507 7.6507 7.6853 7.6853 8.2632 8.2632 k = 0.4500 0.3425 0.0000 ( 4664 PWs) bands (ev): -8.0683 -8.0683 -7.8374 -7.8374 -7.3263 -7.3263 -7.3261 -7.3261 -3.5019 -3.5019 -3.4605 -3.4605 -2.8774 -2.8774 -2.7993 -2.7993 -2.7913 -2.7913 -0.6781 -0.6781 -0.1652 -0.1652 1.2505 1.2505 1.8389 1.8389 1.8750 1.8750 2.2127 2.2127 3.0301 3.0301 3.0643 3.0643 3.1797 3.1797 3.2342 3.2342 3.7966 3.7966 3.8618 3.8618 7.5860 7.5860 7.6186 7.6186 7.6689 7.6689 8.2553 8.2553 k = 0.4667 0.3551 0.0000 ( 4656 PWs) bands (ev): -8.0422 -8.0422 -7.8652 -7.8652 -7.3264 -7.3264 -7.3262 -7.3262 -3.5023 -3.5023 -3.4610 -3.4610 -2.8779 -2.8779 -2.7993 -2.7993 -2.7921 -2.7921 -0.6771 -0.6771 -0.1617 -0.1617 1.2475 1.2475 1.8489 1.8489 1.8843 1.8843 2.2177 2.2177 3.0255 3.0255 3.0735 3.0735 3.1757 3.1757 3.2268 3.2268 3.8005 3.8005 3.8585 3.8585 7.5621 7.5621 7.5952 7.5952 7.6567 7.6567 8.2475 8.2475 k = 0.4833 0.3678 0.0000 ( 4648 PWs) bands (ev): -8.0214 -8.0214 -7.8870 -7.8870 -7.3265 -7.3265 -7.3263 -7.3263 -3.5026 -3.5026 -3.4612 -3.4612 -2.8782 -2.8782 -2.7994 -2.7994 -2.7925 -2.7925 -0.6766 -0.6766 -0.1595 -0.1595 1.2457 1.2457 1.8551 1.8551 1.8900 1.8900 2.2205 2.2205 3.0229 3.0229 3.0793 3.0793 3.1731 3.1731 3.2221 3.2221 3.8031 3.8031 3.8566 3.8566 7.5477 7.5477 7.5810 7.5810 7.6492 7.6492 8.2420 8.2420 k = 0.5000 0.3805 0.0000 ( 4656 PWs) bands (ev): -8.0128 -8.0128 -7.8960 -7.8960 -7.3266 -7.3266 -7.3264 -7.3264 -3.5027 -3.5027 -3.4613 -3.4613 -2.8782 -2.8782 -2.7994 -2.7994 -2.7927 -2.7927 -0.6765 -0.6765 -0.1587 -0.1587 1.2451 1.2451 1.8571 1.8571 1.8919 1.8919 2.2213 2.2213 3.0221 3.0221 3.0812 3.0812 3.1722 3.1722 3.2205 3.2205 3.8040 3.8040 3.8559 3.8559 7.5428 7.5428 7.5763 7.5763 7.6466 7.6466 8.2401 8.2401 k = 0.5000 0.3805 0.0000 ( 4656 PWs) bands (ev): -8.0128 -8.0128 -7.8960 -7.8960 -7.3266 -7.3266 -7.3264 -7.3264 -3.5027 -3.5027 -3.4613 -3.4613 -2.8782 -2.8782 -2.7994 -2.7994 -2.7927 -2.7927 -0.6765 -0.6765 -0.1587 -0.1587 1.2451 1.2451 1.8571 1.8571 1.8919 1.8919 2.2213 2.2213 3.0221 3.0221 3.0812 3.0812 3.1722 3.1722 3.2205 3.2205 3.8040 3.8040 3.8559 3.8559 7.5428 7.5428 7.5763 7.5763 7.6466 7.6466 8.2401 8.2401 k = 0.4911 0.3922 0.0147 ( 4652 PWs) bands (ev): -8.0124 -8.0124 -7.8958 -7.8957 -7.3273 -7.3272 -7.3264 -7.3263 -3.5036 -3.5016 -3.4631 -3.4598 -2.8808 -2.8757 -2.8011 -2.7983 -2.7948 -2.7902 -0.6762 -0.6728 -0.1585 -0.1582 1.2374 1.2446 1.8521 1.8631 1.8893 1.8958 2.2183 2.2238 2.9894 3.0304 3.0783 3.0828 3.1705 3.1837 3.1998 3.2532 3.8004 3.8073 3.8540 3.8578 7.5419 7.5463 7.5766 7.5786 7.6489 7.6520 8.2435 8.2475 k = 0.4822 0.4038 0.0293 ( 4656 PWs) bands (ev): -8.0112 -8.0112 -7.8952 -7.8950 -7.3297 -7.3295 -7.3262 -7.3260 -3.5044 -3.5005 -3.4650 -3.4585 -2.8832 -2.8730 -2.8033 -2.7996 -2.7947 -2.7878 -0.6722 -0.6654 -0.1577 -0.1571 1.2220 1.2358 1.8480 1.8671 1.8879 1.9031 2.2148 2.2256 2.9462 3.0098 3.0694 3.0846 3.1752 3.1881 3.2102 3.2931 3.7959 3.8090 3.8530 3.8605 7.5427 7.5523 7.5799 7.5845 7.6589 7.6649 8.2578 8.2654 k = 0.4734 0.4155 0.0440 ( 4668 PWs) bands (ev): -8.0093 -8.0093 -7.8940 -7.8938 -7.3336 -7.3333 -7.3258 -7.3256 -3.5050 -3.4994 -3.4672 -3.4574 -2.8855 -2.8703 -2.8061 -2.8018 -2.7933 -2.7857 -0.6645 -0.6543 -0.1561 -0.1554 1.1998 1.2195 1.8429 1.8668 1.8886 1.9159 2.2108 2.2269 2.8985 2.9727 3.0571 3.0833 3.1784 3.1855 3.2461 3.3360 3.7889 3.8063 3.8553 3.8663 7.5444 7.5593 7.5882 7.5955 7.6765 7.6849 8.2823 8.2932 k = 0.4645 0.4272 0.0587 ( 4672 PWs) bands (ev): -8.0066 -8.0066 -7.8924 -7.8921 -7.3390 -7.3386 -7.3252 -7.3250 -3.5055 -3.4981 -3.4695 -3.4564 -2.8878 -2.8675 -2.8093 -2.8039 -2.7918 -2.7839 -0.6535 -0.6398 -0.1537 -0.1528 1.1719 1.1965 1.8347 1.8625 1.8924 1.9330 2.2065 2.2279 2.8489 2.9283 3.0436 3.0793 3.1770 3.1873 3.2871 3.3798 3.7778 3.7977 3.8626 3.8768 7.5467 7.5654 7.6040 7.6126 7.7012 7.7116 8.3164 8.3300 k = 0.4556 0.4388 0.0733 ( 4676 PWs) bands (ev): -8.0032 -8.0032 -7.8904 -7.8900 -7.3459 -7.3454 -7.3245 -7.3242 -3.5059 -3.4969 -3.4721 -3.4556 -2.8899 -2.8647 -2.8129 -2.8058 -2.7903 -2.7824 -0.6395 -0.6221 -0.1504 -0.1492 1.1394 1.1681 1.8230 1.8546 1.8990 1.9524 2.2018 2.2287 2.7986 2.8808 3.0296 3.0740 3.1736 3.1885 3.3295 3.4235 3.7623 3.7840 3.8746 3.8921 7.5504 7.5712 7.6275 7.6362 7.7323 7.7443 8.3590 8.3747 k = 0.4467 0.4505 0.0880 ( 4672 PWs) bands (ev): -7.9992 -7.9992 -7.8879 -7.8875 -7.3540 -7.3534 -7.3236 -7.3232 -3.5061 -3.4957 -3.4747 -3.4549 -2.8920 -2.8620 -2.8166 -2.8075 -2.7888 -2.7812 -0.6229 -0.6017 -0.1460 -0.1442 1.1035 1.1354 1.8083 1.8438 1.9068 1.9722 2.1968 2.2298 2.7483 2.8324 3.0157 3.0682 3.1685 3.1875 3.3714 3.4662 3.7431 3.7668 3.8905 3.9113 7.5562 7.5783 7.6578 7.6660 7.7692 7.7826 8.4089 8.4263 k = 0.4378 0.4622 0.1026 ( 4680 PWs) bands (ev): -7.9945 -7.9945 -7.8851 -7.8845 -7.3634 -7.3627 -7.3225 -7.3221 -3.5061 -3.4945 -3.4775 -3.4542 -2.8940 -2.8593 -2.8203 -2.8091 -2.7873 -2.7802 -0.6045 -0.5792 -0.1402 -0.1375 1.0650 1.0996 1.7910 1.8302 1.9143 1.9913 2.1916 2.2313 2.6986 2.7844 3.0023 3.0625 3.1611 3.1836 3.4118 3.5072 3.7215 3.7477 3.9097 3.9336 7.5648 7.5876 7.6946 7.7020 7.8114 7.8259 8.4651 8.4836 k = 0.4290 0.4739 0.1173 ( 4684 PWs) bands (ev): -7.9894 -7.9894 -7.8818 -7.8812 -7.3738 -7.3731 -7.3213 -7.3208 -3.5060 -3.4934 -3.4804 -3.4536 -2.8958 -2.8568 -2.8237 -2.8105 -2.7858 -2.7795 -0.5849 -0.5555 -0.1327 -0.1287 1.0248 1.0616 1.7717 1.8143 1.9202 2.0082 2.1864 2.2336 2.6500 2.7377 2.9897 3.0573 3.1512 3.1768 3.4489 3.5445 3.6998 3.7285 3.9315 3.9582 7.5767 7.5998 7.7374 7.7440 7.8581 7.8734 8.5262 8.5455 k = 0.4201 0.4855 0.1320 ( 4684 PWs) bands (ev): -7.9839 -7.9838 -7.8781 -7.8775 -7.3852 -7.3844 -7.3199 -7.3194 -3.5058 -3.4924 -3.4832 -3.4531 -2.8976 -2.8546 -2.8268 -2.8118 -2.7844 -2.7789 -0.5651 -0.5314 -0.1228 -0.1170 0.9837 1.0222 1.7508 1.7962 1.9237 2.0216 2.1817 2.2364 2.6032 2.6935 2.9784 3.0526 3.1392 3.1669 3.4802 3.5725 3.6840 3.7121 3.9553 3.9846 7.5923 7.6154 7.7860 7.7915 7.9087 7.9246 8.5910 8.6106 k = 0.4112 0.4972 0.1466 ( 4692 PWs) bands (ev): -7.9781 -7.9780 -7.8741 -7.8734 -7.3973 -7.3965 -7.3184 -7.3179 -3.5054 -3.4918 -3.4857 -3.4524 -2.8992 -2.8529 -2.8292 -2.8128 -2.7830 -2.7786 -0.5460 -0.5080 -0.1098 -0.1021 0.9422 0.9823 1.7284 1.7761 1.9241 2.0300 2.1780 2.2396 2.5589 2.6524 2.9687 3.0479 3.1259 3.1540 3.5010 3.5791 3.6862 3.7038 3.9805 4.0121 7.6118 7.6345 7.8400 7.8445 7.9625 7.9787 8.6581 8.6775 k = 0.4023 0.5089 0.1613 ( 4698 PWs) bands (ev): -7.9722 -7.9721 -7.8696 -7.8688 -7.4100 -7.4091 -7.3168 -7.3162 -3.5049 -3.4923 -3.4873 -3.4518 -2.9008 -2.8519 -2.8307 -2.8135 -2.7817 -2.7783 -0.5287 -0.4867 -0.0930 -0.0832 0.9011 0.9424 1.7049 1.7542 1.9213 2.0322 2.1755 2.2426 2.5176 2.6153 2.9606 3.0421 3.1132 3.1386 3.5063 3.5621 3.7019 3.7158 4.0065 4.0402 7.6353 7.6575 7.8989 7.9024 8.0188 8.0352 8.7261 8.7446 k = 0.3934 0.5205 0.1760 ( 4704 PWs) bands (ev): -7.9666 -7.9664 -7.8646 -7.8638 -7.4230 -7.4220 -7.3150 -7.3144 -3.5043 -3.4942 -3.4873 -3.4510 -2.9021 -2.8517 -2.8313 -2.8139 -2.7806 -2.7780 -0.5142 -0.4685 -0.0717 -0.0598 0.8608 0.9031 1.6805 1.7307 1.9152 2.0279 2.1736 2.2448 2.4803 2.5830 2.9544 3.0330 3.1039 3.1209 3.4949 3.5341 3.7204 3.7475 4.0328 4.0685 7.6628 7.6843 7.9619 7.9652 8.0768 8.0933 8.7934 8.8102 k = 0.3846 0.5322 0.1906 ( 4706 PWs) bands (ev): -7.9614 -7.9612 -7.8590 -7.8582 -7.4360 -7.4351 -7.3131 -7.3124 -3.5038 -3.4966 -3.4867 -3.4502 -2.9034 -2.8523 -2.8311 -2.8138 -2.7799 -2.7774 -0.5030 -0.4546 -0.0455 -0.0318 0.8220 0.8651 1.6554 1.7058 1.9060 2.0177 2.1712 2.2451 2.4480 2.5557 2.9495 3.0198 3.0996 3.1025 3.4712 3.5020 3.7466 3.7829 4.0589 4.0963 7.6943 7.7150 8.0282 8.0324 8.1358 8.1523 8.8582 8.8727 k = 0.3757 0.5439 0.2053 ( 4706 PWs) bands (ev): -7.9571 -7.9568 -7.8527 -7.8520 -7.4488 -7.4479 -7.3111 -7.3104 -3.5035 -3.4987 -3.4859 -3.4493 -2.9044 -2.8534 -2.8304 -2.8132 -2.7797 -2.7765 -0.4959 -0.4454 -0.0143 0.0008 0.7852 0.8289 1.6298 1.6795 1.8942 2.0026 2.1667 2.2426 2.4216 2.5332 2.9446 3.0046 3.0812 3.1033 3.4401 3.4681 3.7770 3.8185 4.0844 4.1234 7.7296 7.7494 8.0971 8.1031 8.1951 8.2118 8.9186 8.9308 k = 0.3668 0.5555 0.2200 ( 4718 PWs) bands (ev): -7.9541 -7.9537 -7.8456 -7.8448 -7.4611 -7.4602 -7.3089 -7.3082 -3.5042 -3.4999 -3.4849 -3.4484 -2.9052 -2.8546 -2.8296 -2.8120 -2.7798 -2.7754 -0.4928 -0.4412 0.0212 0.0375 0.7512 0.7951 1.6038 1.6519 1.8802 1.9840 2.1596 2.2363 2.4018 2.5147 2.9366 2.9928 3.0611 3.1107 3.4048 3.4332 3.8085 3.8529 4.1088 4.1492 7.7686 7.7874 8.1679 8.1765 8.2538 8.2710 8.9730 8.9831 k = 0.3579 0.5672 0.2346 ( 4722 PWs) bands (ev): -7.9527 -7.9522 -7.8374 -7.8366 -7.4726 -7.4717 -7.3067 -7.3059 -3.5059 -3.4997 -3.4837 -3.4473 -2.9059 -2.8558 -2.8288 -2.8102 -2.7801 -2.7743 -0.4937 -0.4419 0.0601 0.0774 0.7207 0.7644 1.5773 1.6233 1.8645 1.9631 2.1500 2.2258 2.3881 2.4988 2.9224 2.9892 3.0419 3.1221 3.3673 3.3978 3.8394 3.8854 4.1318 4.1735 7.8112 7.8290 8.2396 8.2513 8.3112 8.3293 9.0201 9.0287 k = 0.3490 0.5789 0.2493 ( 4732 PWs) bands (ev): -7.9534 -7.9528 -7.8281 -7.8273 -7.4829 -7.4821 -7.3044 -7.3036 -3.5080 -3.4992 -3.4824 -3.4463 -2.9062 -2.8568 -2.8280 -2.8079 -2.7806 -2.7731 -0.4983 -0.4470 0.1007 0.1192 0.6947 0.7378 1.5504 1.5936 1.8476 1.9410 2.1388 2.2121 2.3786 2.4839 2.9038 2.9931 3.0251 3.1368 3.3287 3.3627 3.8685 3.9152 4.1531 4.1959 7.8571 7.8739 8.3111 8.3266 8.3667 8.3862 9.0594 9.0674 k = 0.3402 0.5906 0.2640 ( 4734 PWs) bands (ev): -7.9564 -7.9557 -7.8176 -7.8168 -7.4920 -7.4912 -7.3020 -7.3012 -3.5099 -3.4985 -3.4808 -3.4452 -2.9064 -2.8576 -2.8274 -2.8053 -2.7811 -2.7720 -0.5064 -0.4561 0.1411 0.1611 0.6748 0.7165 1.5231 1.5630 1.8299 1.9187 2.1268 2.1964 2.3705 2.4682 2.8847 2.9976 3.0157 3.1544 3.2898 3.3284 3.8949 3.9417 4.1726 4.2162 7.9061 7.9219 8.3809 8.4007 8.4199 8.4413 9.0913 9.0995 k = 0.3313 0.6022 0.2786 ( 4726 PWs) bands (ev): -7.9618 -7.9611 -7.8059 -7.8052 -7.4994 -7.4987 -7.2996 -7.2987 -3.5117 -3.4977 -3.4791 -3.4441 -2.9062 -2.8582 -2.8266 -2.8024 -2.7817 -2.7709 -0.5176 -0.4687 0.1791 0.2010 0.6627 0.7020 1.4953 1.5317 1.8118 1.8970 2.1150 2.1802 2.3615 2.4507 2.8672 2.9911 3.0245 3.1746 3.2511 3.2957 3.9181 3.9645 4.1901 4.2342 7.9579 7.9727 8.4472 8.4660 8.4761 8.4946 9.1167 9.1259 k = 0.3224 0.6139 0.2933 ( 4723 PWs) bands (ev): -7.9697 -7.9691 -7.7932 -7.7925 -7.5051 -7.5045 -7.2971 -7.2962 -3.5132 -3.4970 -3.4771 -3.4431 -2.9057 -2.8585 -2.8258 -2.7994 -2.7824 -2.7699 -0.5314 -0.4844 0.2119 0.2363 0.6606 0.6963 1.4671 1.4999 1.7936 1.8768 2.1042 2.1643 2.3497 2.4305 2.8526 2.9826 3.0416 3.1969 3.2137 3.2659 3.9373 3.9829 4.2055 4.2498 8.0122 8.0261 8.5073 8.5129 8.5403 8.5498 9.1363 9.1484 k = 0.3224 0.6139 0.2933 ( 4723 PWs) bands (ev): -7.9697 -7.9691 -7.7932 -7.7925 -7.5051 -7.5045 -7.2971 -7.2962 -3.5132 -3.4970 -3.4771 -3.4431 -2.9057 -2.8585 -2.8258 -2.7994 -2.7824 -2.7699 -0.5314 -0.4844 0.2119 0.2363 0.6606 0.6963 1.4671 1.4999 1.7936 1.8768 2.1042 2.1643 2.3497 2.4305 2.8526 2.9826 3.0416 3.1969 3.2137 3.2659 3.9373 3.9829 4.2055 4.2498 8.0122 8.0261 8.5073 8.5129 8.5403 8.5498 9.1363 9.1484 k = 0.3034 0.6083 0.3003 ( 4723 PWs) bands (ev): -7.9759 -7.9753 -7.7855 -7.7848 -7.5066 -7.5060 -7.2960 -7.2951 -3.5137 -3.4967 -3.4759 -3.4426 -2.9053 -2.8586 -2.8253 -2.7978 -2.7827 -2.7694 -0.5403 -0.4945 0.2262 0.2518 0.6648 0.6983 1.4510 1.4819 1.7847 1.8666 2.1010 2.1575 2.3449 2.4206 2.8442 2.9763 3.0498 3.1994 3.2075 3.2574 3.9430 3.9871 4.2139 4.2570 8.0421 8.0556 8.5115 8.5339 8.5715 8.5963 9.1403 9.1542 k = 0.2845 0.6027 0.3073 ( 4735 PWs) bands (ev): -7.9849 -7.9843 -7.7763 -7.7756 -7.5062 -7.5057 -7.2952 -7.2943 -3.5141 -3.4965 -3.4745 -3.4420 -2.9047 -2.8587 -2.8246 -2.7962 -2.7830 -2.7689 -0.5521 -0.5081 0.2413 0.2680 0.6734 0.7044 1.4302 1.4590 1.7750 1.8541 2.1010 2.1522 2.3434 2.4117 2.8326 2.9657 3.0563 3.1932 3.2166 3.2571 3.9439 3.9849 4.2243 4.2642 8.0786 8.0916 8.5126 8.5376 8.6171 8.6453 9.1387 9.1537 k = 0.2655 0.5971 0.3144 ( 4727 PWs) bands (ev): -7.9953 -7.9948 -7.7668 -7.7662 -7.5038 -7.5034 -7.2947 -7.2938 -3.5143 -3.4966 -3.4727 -3.4414 -2.9038 -2.8589 -2.8236 -2.7945 -2.7831 -2.7683 -0.5665 -0.5248 0.2576 0.2849 0.6856 0.7138 1.4055 1.4323 1.7638 1.8386 2.1034 2.1489 2.3444 2.4048 2.8197 2.9517 3.0616 3.1934 3.2257 3.2628 3.9404 3.9777 4.2349 4.2707 8.1212 8.1338 8.5150 8.5403 8.6614 8.6916 9.1357 9.1516 k = 0.2465 0.5915 0.3214 ( 4729 PWs) bands (ev): -8.0065 -8.0060 -7.7581 -7.7575 -7.4994 -7.4990 -7.2947 -7.2938 -3.5143 -3.4967 -3.4707 -3.4408 -2.9028 -2.8593 -2.8224 -2.7929 -2.7831 -2.7678 -0.5830 -0.5440 0.2756 0.3029 0.7004 0.7258 1.3779 1.4032 1.7498 1.8191 2.1074 2.1485 2.3468 2.4011 2.8072 2.9358 3.0664 3.1981 3.2351 3.2733 3.9330 3.9667 4.2441 4.2754 8.1693 8.1817 8.5192 8.5442 8.7020 8.7339 9.1351 9.1519 k = 0.2276 0.5859 0.3284 ( 4725 PWs) bands (ev): -8.0178 -8.0174 -7.7507 -7.7502 -7.4929 -7.4926 -7.2951 -7.2942 -3.5141 -3.4970 -3.4685 -3.4403 -2.9015 -2.8598 -2.8208 -2.7915 -2.7829 -2.7673 -0.6010 -0.5650 0.2952 0.3219 0.7170 0.7396 1.3484 1.3729 1.7323 1.7949 2.1126 2.1516 2.3493 2.4018 2.7961 2.9189 3.0714 3.2044 3.2462 3.2878 3.9220 3.9528 4.2507 4.2779 8.2222 8.2344 8.5258 8.5501 8.7380 8.7712 9.1399 9.1575 k = 0.2086 0.5803 0.3355 ( 4716 PWs) bands (ev): -8.0288 -8.0284 -7.7448 -7.7443 -7.4846 -7.4844 -7.2960 -7.2950 -3.5139 -3.4974 -3.4661 -3.4397 -2.9001 -2.8605 -2.8191 -2.7903 -2.7823 -2.7668 -0.6200 -0.5871 0.3162 0.3419 0.7349 0.7547 1.3181 1.3427 1.7106 1.7660 2.1190 2.1581 2.3513 2.4072 2.7868 2.9012 3.0774 3.2102 3.2603 3.3054 3.9078 3.9366 4.2540 4.2778 8.2787 8.2910 8.5357 8.5589 8.7688 8.8025 9.1522 9.1703 k = 0.1896 0.5747 0.3425 ( 4719 PWs) bands (ev): -8.0394 -8.0390 -7.7403 -7.7399 -7.4747 -7.4746 -7.2973 -7.2964 -3.5134 -3.4979 -3.4636 -3.4392 -2.8984 -2.8614 -2.8171 -2.7896 -2.7814 -2.7664 -0.6393 -0.6096 0.3385 0.3627 0.7531 0.7704 1.2878 1.3135 1.6847 1.7331 2.1267 2.1670 2.3536 2.4164 2.7792 2.8830 3.0853 3.2150 3.2778 3.3253 3.8909 3.9185 4.2537 4.2749 8.3370 8.3493 8.5498 8.5718 8.7945 8.8277 9.1730 9.1908 k = 0.1707 0.5691 0.3495 ( 4719 PWs) bands (ev): -8.0492 -8.0489 -7.7372 -7.7368 -7.4637 -7.4636 -7.2993 -7.2984 -3.5129 -3.4985 -3.4611 -3.4388 -2.8967 -2.8624 -2.8150 -2.7892 -2.7801 -2.7660 -0.6583 -0.6319 0.3615 0.3840 0.7713 0.7866 1.2586 1.2862 1.6548 1.6972 2.1355 2.1772 2.3573 2.4281 2.7724 2.8641 3.0956 3.2196 3.2981 3.3467 3.8717 3.8988 4.2497 4.2694 8.3939 8.4063 8.5704 8.5911 8.8158 8.8475 9.2013 9.2183 k = 0.1517 0.5635 0.3566 ( 4722 PWs) bands (ev): -8.0583 -8.0580 -7.7351 -7.7348 -7.4518 -7.4517 -7.3019 -7.3010 -3.5123 -3.4991 -3.4586 -3.4385 -2.8948 -2.8636 -2.8127 -2.7892 -2.7786 -2.7657 -0.6767 -0.6534 0.3849 0.4053 0.7887 0.8028 1.2312 1.2611 1.6219 1.6596 2.1452 2.1875 2.3636 2.4412 2.7656 2.8444 3.1088 3.2248 3.3204 3.3689 3.8506 3.8774 4.2426 4.2614 8.4446 8.4568 8.6008 8.6202 8.8341 8.8635 9.2353 9.2513 k = 0.1327 0.5579 0.3636 ( 4714 PWs) bands (ev): -8.0664 -8.0662 -7.7340 -7.7337 -7.4395 -7.4393 -7.3050 -7.3042 -3.5116 -3.4998 -3.4561 -3.4383 -2.8929 -2.8650 -2.8104 -2.7894 -2.7769 -2.7655 -0.6938 -0.6737 0.4079 0.4262 0.8050 0.8189 1.2064 1.2388 1.5872 1.6216 2.1551 2.1966 2.3731 2.4551 2.7576 2.8242 3.1249 3.2313 3.3439 3.3915 3.8282 3.8545 4.2331 4.2514 8.4841 8.4957 8.6437 8.6623 8.8513 8.8781 9.2723 9.2877 k = 0.1138 0.5523 0.3706 ( 4712 PWs) bands (ev): -8.0736 -8.0734 -7.7334 -7.7332 -7.4271 -7.4268 -7.3088 -7.3080 -3.5109 -3.5006 -3.4537 -3.4383 -2.8908 -2.8665 -2.8081 -2.7898 -2.7753 -2.7654 -0.7092 -0.6922 0.4300 0.4460 0.8200 0.8343 1.1848 1.2194 1.5523 1.5843 2.1649 2.2037 2.3862 2.4694 2.7478 2.8038 3.1435 3.2390 3.3681 3.4137 3.8050 3.8305 4.2222 4.2398 8.5119 8.5226 8.6964 8.7145 8.8695 8.8935 9.3099 9.3253 k = 0.0948 0.5467 0.3777 ( 4711 PWs) bands (ev): -8.0798 -8.0796 -7.7332 -7.7330 -7.4149 -7.4146 -7.3133 -7.3125 -3.5101 -3.5014 -3.4513 -3.4385 -2.8887 -2.8682 -2.8058 -2.7904 -2.7737 -2.7654 -0.7227 -0.7086 0.4505 0.4641 0.8336 0.8485 1.1671 1.2027 1.5190 1.5488 2.1740 2.2085 2.4027 2.4833 2.7361 2.7836 3.1639 3.2472 3.3927 3.4350 3.7818 3.8057 4.2109 4.2274 8.5314 8.5410 8.7509 8.7675 8.8924 8.9130 9.3459 9.3618 k = 0.0759 0.5411 0.3847 ( 4714 PWs) bands (ev): -8.0848 -8.0847 -7.7333 -7.7332 -7.4033 -7.4029 -7.3182 -7.3175 -3.5092 -3.5022 -3.4492 -3.4388 -2.8865 -2.8699 -2.8035 -2.7912 -2.7722 -2.7655 -0.7339 -0.7228 0.4687 0.4797 0.8459 0.8608 1.1538 1.1885 1.4891 1.5162 2.1822 2.2111 2.4219 2.4959 2.7231 2.7640 3.1851 3.2549 3.4170 3.4545 3.7595 3.7808 4.2002 4.2150 8.5457 8.5538 8.7975 8.8103 8.9244 8.9410 9.3783 9.3950 k = 0.0569 0.5356 0.3917 ( 4717 PWs) bands (ev): -8.0888 -8.0887 -7.7335 -7.7334 -7.3925 -7.3921 -7.3236 -7.3229 -3.5084 -3.5030 -3.4472 -3.4394 -2.8844 -2.8718 -2.8014 -2.7921 -2.7708 -2.7658 -0.7426 -0.7343 0.4840 0.4924 0.8567 0.8702 1.1453 1.1762 1.4647 1.4877 2.1895 2.2117 2.4428 2.5057 2.7109 2.7454 3.2060 3.2605 3.4403 3.4711 3.7395 3.7570 4.1913 4.2034 8.5563 8.5627 8.8295 8.8378 8.9652 8.9785 9.4061 9.4227 k = 0.0379 0.5300 0.3988 ( 4709 PWs) bands (ev): -8.0917 -8.0916 -7.7337 -7.7336 -7.3832 -7.3828 -7.3288 -7.3283 -3.5075 -3.5039 -3.4453 -3.4401 -2.8822 -2.8738 -2.7994 -2.7932 -2.7696 -2.7662 -0.7485 -0.7430 0.4958 0.5014 0.8659 0.8763 1.1419 1.1655 1.4474 1.4644 2.1957 2.2107 2.4638 2.5105 2.7021 2.7284 3.2252 3.2627 3.4613 3.4835 3.7235 3.7362 4.1850 4.1936 8.5639 8.5683 8.8481 8.8531 9.0063 9.0168 9.4283 9.4427 k = 0.0190 0.5244 0.4058 ( 4716 PWs) bands (ev): -8.0934 -8.0933 -7.7338 -7.7338 -7.3763 -7.3760 -7.3332 -7.3328 -3.5066 -3.5048 -3.4437 -3.4411 -2.8800 -2.8758 -2.7976 -2.7945 -2.7685 -2.7668 -0.7516 -0.7488 0.5036 0.5065 0.8730 0.8787 1.1432 1.1560 1.4386 1.4477 2.2009 2.2085 2.4832 2.5084 2.6993 2.7139 3.2413 3.2605 3.4779 3.4897 3.7139 3.7206 4.1819 4.1864 8.5689 8.5711 8.8581 8.8605 9.0377 9.0438 9.4444 9.4532 k = 0.0000 0.5188 0.4128 ( 4718 PWs) bands (ev): -8.0939 -8.0939 -7.7339 -7.7339 -7.3735 -7.3735 -7.3348 -7.3348 -3.5057 -3.5057 -3.4423 -3.4423 -2.8779 -2.8779 -2.7960 -2.7960 -2.7676 -2.7676 -0.7517 -0.7517 0.5072 0.5072 0.8774 0.8774 1.1483 1.1483 1.4388 1.4388 2.2052 2.2052 2.4988 2.4988 2.7036 2.7036 3.2533 3.2533 3.4879 3.4879 3.7127 3.7127 4.1824 4.1824 8.5713 8.5713 8.8620 8.8620 9.0515 9.0515 9.4533 9.4533 k = 0.0000 0.5188 0.4128 ( 4718 PWs) bands (ev): -8.0939 -8.0939 -7.7339 -7.7339 -7.3735 -7.3735 -7.3348 -7.3348 -3.5057 -3.5057 -3.4423 -3.4423 -2.8779 -2.8779 -2.7960 -2.7960 -2.7676 -2.7676 -0.7517 -0.7517 0.5072 0.5072 0.8774 0.8774 1.1483 1.1483 1.4388 1.4388 2.2052 2.2052 2.4988 2.4988 2.7036 2.7036 3.2533 3.2533 3.4879 3.4879 3.7127 3.7127 4.1824 4.1824 8.5713 8.5713 8.8620 8.8620 9.0515 9.0515 9.4533 9.4533 k = 0.0089 0.5070 0.4276 ( 4716 PWs) bands (ev): -8.0935 -8.0935 -7.7337 -7.7337 -7.3740 -7.3739 -7.3350 -7.3350 -3.5063 -3.5049 -3.4433 -3.4412 -2.8798 -2.8757 -2.7967 -2.7953 -2.7679 -2.7672 -0.7532 -0.7515 0.5010 0.5037 0.8613 0.8756 1.1500 1.1636 1.4380 1.4466 2.2030 2.2078 2.4914 2.5035 2.6979 2.7180 3.2487 3.2604 3.4815 3.4970 3.7122 3.7148 4.1803 4.1841 8.5689 8.5707 8.8546 8.8575 9.0438 9.0508 9.4481 9.4640 k = 0.0179 0.4953 0.4423 ( 4712 PWs) bands (ev): -8.0921 -8.0921 -7.7332 -7.7331 -7.3755 -7.3753 -7.3354 -7.3354 -3.5067 -3.5040 -3.4443 -3.4401 -2.8814 -2.8734 -2.7973 -2.7946 -2.7681 -2.7667 -0.7560 -0.7525 0.4854 0.4906 0.8322 0.8564 1.1678 1.1907 1.4443 1.4614 2.2008 2.2109 2.4838 2.5048 2.7020 2.7390 3.2463 3.2698 3.4780 3.5088 3.7134 3.7185 4.1779 4.1854 8.5632 8.5669 8.8368 8.8417 9.0287 9.0414 9.4488 9.4784 k = 0.0268 0.4836 0.4571 ( 4718 PWs) bands (ev): -8.0899 -8.0898 -7.7323 -7.7322 -7.3779 -7.3777 -7.3362 -7.3361 -3.5069 -3.5030 -3.4452 -3.4390 -2.8828 -2.8708 -2.7979 -2.7939 -2.7681 -2.7662 -0.7599 -0.7547 0.4613 0.4684 0.7957 0.8255 1.1950 1.2234 1.4576 1.4830 2.1981 2.2143 2.4788 2.5046 2.7144 2.7641 3.2460 3.2812 3.4773 3.5228 3.7164 3.7239 4.1751 4.1863 8.5535 8.5591 8.8116 8.8173 9.0073 9.0236 9.4546 9.4943 k = 0.0357 0.4718 0.4718 ( 4718 PWs) bands (ev): -8.0868 -8.0867 -7.7310 -7.7310 -7.3812 -7.3809 -7.3373 -7.3372 -3.5069 -3.5018 -3.4461 -3.4379 -2.8838 -2.8681 -2.7984 -2.7933 -2.7681 -2.7657 -0.7648 -0.7580 0.4299 0.4384 0.7553 0.7877 1.2256 1.2571 1.4776 1.5111 2.1945 2.2178 2.4786 2.5062 2.7328 2.7917 3.2476 3.2943 3.4794 3.5387 3.7215 3.7310 4.1719 4.1869 8.5386 8.5463 8.7823 8.7881 8.9807 8.9988 9.4635 9.5094 k = 0.0446 0.4601 0.4865 ( 4716 PWs) bands (ev): -8.0828 -8.0827 -7.7295 -7.7294 -7.3854 -7.3850 -7.3387 -7.3386 -3.5067 -3.5005 -3.4469 -3.4368 -2.8845 -2.8652 -2.7988 -2.7927 -2.7679 -2.7651 -0.7704 -0.7621 0.3926 0.4018 0.7128 0.7461 1.2554 1.2888 1.5041 1.5449 2.1900 2.2216 2.4848 2.5122 2.7549 2.8204 3.2507 3.3085 3.4841 3.5557 3.7292 3.7400 4.1683 4.1870 8.5171 8.5270 8.7518 8.7589 8.9499 8.9686 9.4731 9.5215 k = 0.0536 0.4484 0.5013 ( 4714 PWs) bands (ev): -8.0779 -8.0778 -7.7276 -7.7275 -7.3903 -7.3899 -7.3405 -7.3403 -3.5064 -3.4991 -3.4476 -3.4358 -2.8849 -2.8622 -2.7991 -2.7923 -2.7676 -2.7646 -0.7766 -0.7670 0.3508 0.3602 0.6689 0.7021 1.2821 1.3167 1.5363 1.5835 2.1854 2.2260 2.4979 2.5246 2.7790 2.8495 3.2549 3.3233 3.4914 3.5729 3.7399 3.7512 4.1643 4.1866 8.4879 8.5001 8.7225 8.7330 8.9158 8.9347 9.4813 9.5287 k = 0.0625 0.4366 0.5160 ( 4714 PWs) bands (ev): -8.0722 -8.0720 -7.7256 -7.7254 -7.3960 -7.3955 -7.3426 -7.3424 -3.5058 -3.4976 -3.4482 -3.4349 -2.8850 -2.8592 -2.7993 -2.7919 -2.7672 -2.7640 -0.7831 -0.7722 0.3055 0.3149 0.6238 0.6564 1.3040 1.3397 1.5733 1.6258 2.1819 2.2318 2.5175 2.5440 2.8038 2.8784 3.2601 3.3384 3.5009 3.5894 3.7540 3.7646 4.1598 4.1858 8.4513 8.4655 8.6960 8.7111 8.8794 8.8988 9.4866 9.5302 k = 0.0714 0.4249 0.5308 ( 4712 PWs) bands (ev): -8.0656 -8.0655 -7.7233 -7.7231 -7.4024 -7.4018 -7.3451 -7.3448 -3.5050 -3.4961 -3.4488 -3.4340 -2.8847 -2.8561 -2.7994 -2.7916 -2.7667 -2.7635 -0.7896 -0.7775 0.2581 0.2670 0.5779 0.6095 1.3205 1.3570 1.6141 1.6708 2.1813 2.2400 2.5432 2.5702 2.8285 2.9067 3.2661 3.3534 3.5120 3.6043 3.7716 3.7805 4.1549 4.1844 8.4085 8.4243 8.6722 8.6922 8.8416 8.8627 9.4888 9.5270 k = 0.0804 0.4132 0.5455 ( 4712 PWs) bands (ev): -8.0583 -8.0581 -7.7208 -7.7207 -7.4094 -7.4088 -7.3479 -7.3475 -3.5040 -3.4944 -3.4493 -3.4332 -2.8840 -2.8530 -2.7993 -2.7914 -2.7662 -2.7630 -0.7959 -0.7827 0.2092 0.2176 0.5312 0.5619 1.3310 1.3681 1.6579 1.7178 2.1845 2.2512 2.5742 2.6025 2.8525 2.9341 3.2727 3.3681 3.5243 3.6172 3.7919 3.7995 4.1496 4.1825 8.3610 8.3783 8.6498 8.6743 8.8038 8.8278 9.4889 9.5217 k = 0.0893 0.4014 0.5603 ( 4706 PWs) bands (ev): -8.0502 -8.0499 -7.7183 -7.7181 -7.4168 -7.4162 -7.3511 -7.3506 -3.5028 -3.4927 -3.4497 -3.4325 -2.8830 -2.8499 -2.7992 -2.7913 -2.7657 -2.7626 -0.8015 -0.7875 0.1597 0.1674 0.4842 0.5138 1.3354 1.3728 1.7042 1.7663 2.1923 2.2659 2.6097 2.6400 2.8756 2.9605 3.2799 3.3826 3.5372 3.6279 3.8131 3.8226 4.1438 4.1801 8.3105 8.3291 8.6274 8.6555 8.7678 8.7950 9.4885 9.5166 k = 0.0982 0.3897 0.5750 ( 4704 PWs) bands (ev): -8.0413 -8.0410 -7.7157 -7.7156 -7.4247 -7.4241 -7.3546 -7.3541 -3.5014 -3.4910 -3.4501 -3.4320 -2.8817 -2.8469 -2.7990 -2.7911 -2.7652 -2.7622 -0.8064 -0.7916 0.1099 0.1171 0.4370 0.4656 1.3341 1.3714 1.7524 1.8162 2.2048 2.2839 2.6489 2.6816 2.8975 2.9855 3.2879 3.3970 3.5503 3.6368 3.8346 3.8489 4.1377 4.1771 8.2580 8.2780 8.6041 8.6338 8.7358 8.7650 9.4893 9.5139 k = 0.1071 0.3780 0.5897 ( 4708 PWs) bands (ev): -8.0317 -8.0314 -7.7133 -7.7131 -7.4329 -7.4322 -7.3584 -7.3578 -3.4999 -3.4892 -3.4504 -3.4317 -2.8800 -2.8438 -2.7987 -2.7910 -2.7649 -2.7619 -0.8102 -0.7948 0.0605 0.0669 0.3901 0.4176 1.3276 1.3643 1.8024 1.8672 2.2217 2.3047 2.6906 2.7262 2.9185 3.0092 3.2967 3.4113 3.5631 3.6442 3.8566 3.8768 4.1314 4.1736 8.2044 8.2256 8.5797 8.6084 8.7088 8.7377 9.4923 9.5148 k = 0.1161 0.3662 0.6045 ( 4706 PWs) bands (ev): -8.0215 -8.0212 -7.7111 -7.7109 -7.4413 -7.4406 -7.3625 -7.3618 -3.4982 -3.4873 -3.4507 -3.4315 -2.8781 -2.8408 -2.7984 -2.7909 -2.7647 -2.7615 -0.8127 -0.7967 0.0116 0.0174 0.3437 0.3702 1.3168 1.3524 1.8536 1.9192 2.2422 2.3280 2.7332 2.7721 2.9393 3.0314 3.3064 3.4256 3.5756 3.6504 3.8785 3.9049 4.1251 4.1698 8.1502 8.1726 8.5547 8.5802 8.6865 8.7129 9.4980 9.5198 k = 0.1250 0.3545 0.6192 ( 4708 PWs) bands (ev): -8.0106 -8.0103 -7.7092 -7.7090 -7.4497 -7.4489 -7.3668 -7.3661 -3.4963 -3.4855 -3.4510 -3.4315 -2.8758 -2.8379 -2.7982 -2.7907 -2.7648 -2.7612 -0.8137 -0.7973 -0.0366 -0.0312 0.2983 0.3239 1.3025 1.3368 1.9056 1.9718 2.2656 2.3531 2.7746 2.8174 2.9613 3.0526 3.3173 3.4399 3.5875 3.6559 3.8997 3.9323 4.1191 4.1657 8.0959 8.1192 8.5298 8.5514 8.6674 8.6899 9.5065 9.5284 k = 0.1339 0.3428 0.6340 ( 4716 PWs) bands (ev): -7.9991 -7.9988 -7.7077 -7.7076 -7.4580 -7.4572 -7.3714 -7.3707 -3.4943 -3.4836 -3.4512 -3.4317 -2.8733 -2.8351 -2.7980 -2.7905 -2.7650 -2.7610 -0.8130 -0.7963 -0.0840 -0.0788 0.2543 0.2788 1.2859 1.3185 1.9579 2.0245 2.2914 2.3797 2.8122 2.8592 2.9868 3.0733 3.3297 3.4543 3.5990 3.6608 3.9193 3.9578 4.1137 4.1615 8.0418 8.0659 8.5057 8.5240 8.6498 8.6683 9.5168 9.5391 k = 0.1429 0.3310 0.6487 ( 4714 PWs) bands (ev): -7.9872 -7.9868 -7.7070 -7.7068 -7.4659 -7.4652 -7.3761 -7.3754 -3.4922 -3.4816 -3.4515 -3.4321 -2.8706 -2.8323 -2.7979 -2.7901 -2.7654 -2.7608 -0.8105 -0.7935 -0.1303 -0.1252 0.2119 0.2355 1.2676 1.2984 2.0099 2.0766 2.3193 2.4076 2.8428 2.8951 3.0178 3.0941 3.3440 3.4688 3.6100 3.6656 3.9364 3.9806 4.1096 4.1575 7.9885 8.0129 8.4829 8.4995 8.6328 8.6477 9.5270 9.5490 k = 0.1518 0.3193 0.6635 ( 4718 PWs) bands (ev): -7.9747 -7.9744 -7.7070 -7.7068 -7.4734 -7.4726 -7.3810 -7.3802 -3.4900 -3.4797 -3.4517 -3.4328 -2.8678 -2.8297 -2.7980 -2.7896 -2.7660 -2.7608 -0.8060 -0.7888 -0.1757 -0.1702 0.1716 0.1942 1.2486 1.2775 2.0608 2.1274 2.3491 2.4368 2.8646 2.9236 3.0540 3.1156 3.3607 3.4836 3.6206 3.6706 3.9504 3.9998 4.1073 4.1540 7.9366 7.9609 8.4618 8.4785 8.6157 8.6281 9.5345 9.5551 k = 0.1607 0.3076 0.6782 ( 4720 PWs) bands (ev): -7.9619 -7.9615 -7.7079 -7.7077 -7.4802 -7.4794 -7.3860 -7.3852 -3.4878 -3.4776 -3.4519 -3.4336 -2.8647 -2.8271 -2.7981 -2.7890 -2.7668 -2.7608 -0.7994 -0.7821 -0.2201 -0.2140 0.1337 0.1554 1.2294 1.2564 2.1099 2.1757 2.3809 2.4673 2.8777 2.9445 3.0919 3.1377 3.3806 3.4989 3.6308 3.6762 3.9606 4.0144 4.1074 4.1511 7.8864 7.9104 8.4430 8.4610 8.5982 8.6093 9.5378 9.5575 k = 0.1696 0.2958 0.6930 ( 4708 PWs) bands (ev): -7.9489 -7.9484 -7.7100 -7.7097 -7.4861 -7.4854 -7.3910 -7.3902 -3.4857 -3.4755 -3.4522 -3.4347 -2.8616 -2.8247 -2.7984 -2.7883 -2.7678 -2.7610 -0.7907 -0.7733 -0.2633 -0.2564 0.0985 0.1192 1.2108 1.2359 2.1561 2.2206 2.4151 2.4996 2.8837 2.9583 3.1262 3.1604 3.4042 3.5154 3.6406 3.6831 3.9671 4.0241 4.1098 4.1490 7.8388 7.8619 8.4269 8.4468 8.5800 8.5915 9.5382 9.5581 k = 0.1786 0.2841 0.7077 ( 4708 PWs) bands (ev): -7.9356 -7.9352 -7.7132 -7.7129 -7.4911 -7.4904 -7.3960 -7.3952 -3.4836 -3.4733 -3.4524 -3.4359 -2.8584 -2.8225 -2.7987 -2.7876 -2.7688 -2.7613 -0.7798 -0.7625 -0.3052 -0.2975 0.0663 0.0861 1.1930 1.2163 2.1987 2.2611 2.4516 2.5337 2.8844 2.9656 3.1510 3.1843 3.4313 3.5334 3.6499 3.6918 3.9701 4.0293 4.1137 4.1476 7.7943 7.8162 8.4136 8.4354 8.5616 8.5744 9.5386 9.5584 k = 0.1875 0.2724 0.7224 ( 4710 PWs) bands (ev): -7.9223 -7.9219 -7.7176 -7.7173 -7.4951 -7.4945 -7.4009 -7.4000 -3.4816 -3.4710 -3.4527 -3.4374 -2.8553 -2.8206 -2.7990 -2.7868 -2.7700 -2.7617 -0.7667 -0.7496 -0.3459 -0.3372 0.0373 0.0563 1.1766 1.1982 2.2368 2.2967 2.4904 2.5697 2.8809 2.9673 3.1651 3.2073 3.4606 3.5538 3.6587 3.7027 3.9706 4.0308 4.1179 4.1464 7.7536 7.7738 8.4033 8.4266 8.5433 8.5579 9.5405 9.5594 k = 0.1964 0.2606 0.7372 ( 4716 PWs) bands (ev): -7.9091 -7.9087 -7.7232 -7.7227 -7.4981 -7.4975 -7.4055 -7.4046 -3.4799 -3.4686 -3.4529 -3.4391 -2.8522 -2.8189 -2.7992 -2.7861 -2.7712 -2.7621 -0.7516 -0.7346 -0.3851 -0.3755 0.0118 0.0301 1.1619 1.1819 2.2697 2.3271 2.5308 2.6076 2.8740 2.9644 3.1716 3.2251 3.4897 3.5769 3.6670 3.7163 3.9694 4.0294 4.1211 4.1450 7.7172 7.7354 8.3958 8.4201 8.5257 8.5419 9.5446 9.5616 k = 0.2054 0.2489 0.7519 ( 4712 PWs) bands (ev): -7.8964 -7.8959 -7.7295 -7.7291 -7.5001 -7.4996 -7.4098 -7.4089 -3.4783 -3.4661 -3.4532 -3.4410 -2.8494 -2.8175 -2.7994 -2.7854 -2.7724 -2.7626 -0.7344 -0.7178 -0.4226 -0.4122 -0.0100 0.0075 1.1490 1.1676 2.2973 2.3524 2.5720 2.6466 2.8640 2.9573 3.1731 3.2363 3.5159 3.6024 3.6745 3.7321 3.9676 4.0258 4.1230 4.1432 7.6857 7.7015 8.3911 8.4154 8.5092 8.5266 9.5505 9.5650 k = 0.2143 0.2372 0.7667 ( 4708 PWs) bands (ev): -7.8843 -7.8839 -7.7365 -7.7360 -7.5014 -7.5009 -7.4135 -7.4127 -3.4770 -3.4635 -3.4535 -3.4430 -2.8467 -2.8166 -2.7993 -2.7848 -2.7736 -2.7631 -0.7154 -0.6994 -0.4581 -0.4471 -0.0280 -0.0111 1.1382 1.1556 2.3194 2.3728 2.6127 2.6857 2.8512 2.9462 3.1716 3.2414 3.5371 3.6291 3.6811 3.7492 3.9661 4.0204 4.1234 4.1409 7.6595 7.6728 8.3889 8.4122 8.4944 8.5123 9.5575 9.5692 k = 0.2232 0.2254 0.7814 ( 4708 PWs) bands (ev): -7.8734 -7.8731 -7.7434 -7.7430 -7.5021 -7.5017 -7.4167 -7.4159 -3.4760 -3.4609 -3.4537 -3.4452 -2.8445 -2.8161 -2.7991 -2.7843 -2.7746 -2.7635 -0.6952 -0.6799 -0.4910 -0.4796 -0.0421 -0.0257 1.1297 1.1461 2.3363 2.3886 2.6520 2.7230 2.8361 2.9316 3.1687 3.2422 3.5529 3.6544 3.6868 3.7656 3.9660 4.0134 4.1228 4.1381 7.6391 7.6496 8.3892 8.4098 8.4823 8.4994 9.5647 9.5734 k = 0.2321 0.2137 0.7962 ( 4710 PWs) bands (ev): -7.8645 -7.8642 -7.7495 -7.7492 -7.5023 -7.5020 -7.4191 -7.4184 -3.4752 -3.4583 -3.4538 -3.4475 -2.8427 -2.8158 -2.7988 -2.7840 -2.7754 -2.7639 -0.6746 -0.6609 -0.5198 -0.5089 -0.0522 -0.0363 1.1236 1.1392 2.3482 2.3998 2.6889 2.7548 2.8206 2.9140 3.1657 3.2408 3.5635 3.6747 3.6921 3.7789 3.9682 4.0051 4.1217 4.1354 7.6246 7.6323 8.3914 8.4073 8.4737 8.4884 9.5710 9.5768 k = 0.2411 0.2020 0.8109 ( 4710 PWs) bands (ev): -7.8584 -7.8583 -7.7538 -7.7536 -7.5023 -7.5022 -7.4206 -7.4199 -3.4747 -3.4559 -3.4539 -3.4498 -2.8416 -2.8158 -2.7986 -2.7838 -2.7760 -2.7642 -0.6562 -0.6457 -0.5411 -0.5324 -0.0583 -0.0426 1.1199 1.1351 2.3553 2.4065 2.7220 2.7678 2.8145 2.8961 3.1636 3.2391 3.5696 3.6855 3.6984 3.7872 3.9727 3.9965 4.1208 4.1334 7.6163 7.6215 8.3952 8.4040 8.4694 8.4804 9.5755 9.5788 k = 0.2500 0.1903 0.8256 ( 4712 PWs) bands (ev): -7.8562 -7.8562 -7.7554 -7.7553 -7.5023 -7.5023 -7.4211 -7.4204 -3.4746 -3.4547 -3.4535 -3.4513 -2.8412 -2.8158 -2.7985 -2.7837 -2.7761 -2.7642 -0.6472 -0.6400 -0.5488 -0.5429 -0.0604 -0.0447 1.1186 1.1337 2.3577 2.4087 2.7454 2.7563 2.8193 2.8869 3.1629 3.2383 3.5716 3.6880 3.7019 3.7900 3.9762 3.9916 4.1205 4.1327 7.6137 7.6176 8.3995 8.3999 8.4684 8.4772 9.5774 9.5793 k = 0.2500 0.1903 0.8256 ( 4712 PWs) bands (ev): -7.8562 -7.8562 -7.7554 -7.7553 -7.5023 -7.5023 -7.4211 -7.4204 -3.4746 -3.4547 -3.4535 -3.4513 -2.8412 -2.8158 -2.7985 -2.7837 -2.7761 -2.7642 -0.6472 -0.6400 -0.5488 -0.5429 -0.0604 -0.0447 1.1186 1.1337 2.3577 2.4087 2.7454 2.7563 2.8193 2.8869 3.1629 3.2383 3.5716 3.6880 3.7019 3.7900 3.9762 3.9916 4.1205 4.1327 7.6137 7.6176 8.3995 8.3999 8.4684 8.4772 9.5774 9.5793 k = 0.2632 0.2003 0.8131 ( 4714 PWs) bands (ev): -7.8570 -7.8569 -7.7549 -7.7547 -7.5023 -7.5022 -7.4209 -7.4202 -3.4746 -3.4552 -3.4537 -3.4506 -2.8413 -2.8158 -2.7985 -2.7839 -2.7758 -2.7642 -0.6524 -0.6436 -0.5465 -0.5391 -0.0568 -0.0412 1.1208 1.1359 2.3513 2.4011 2.7307 2.7626 2.8229 2.8882 3.1653 3.2390 3.5719 3.6784 3.7118 3.7907 3.9751 3.9938 4.1217 4.1338 7.6110 7.6153 8.3958 8.4004 8.4721 8.4810 9.5772 9.5795 k = 0.2763 0.2103 0.8005 ( 4711 PWs) bands (ev): -7.8589 -7.8587 -7.7536 -7.7534 -7.5023 -7.5021 -7.4204 -7.4197 -3.4747 -3.4564 -3.4541 -3.4491 -2.8416 -2.8161 -2.7986 -2.7844 -2.7751 -2.7639 -0.6649 -0.6537 -0.5398 -0.5302 -0.0467 -0.0313 1.1271 1.1423 2.3330 2.3795 2.7087 2.7628 2.8296 2.8906 3.1720 3.2410 3.5728 3.6652 3.7263 3.7932 3.9736 3.9990 4.1252 4.1372 7.6028 7.6077 8.3904 8.3974 8.4835 8.4922 9.5773 9.5804 k = 0.2895 0.2203 0.7879 ( 4707 PWs) bands (ev): -7.8614 -7.8612 -7.7520 -7.7517 -7.5023 -7.5020 -7.4197 -7.4190 -3.4749 -3.4579 -3.4544 -3.4476 -2.8421 -2.8165 -2.7989 -2.7850 -2.7742 -2.7636 -0.6806 -0.6676 -0.5303 -0.5194 -0.0309 -0.0156 1.1375 1.1528 2.3046 2.3471 2.6840 2.7523 2.8369 2.8941 3.1810 3.2443 3.5745 3.6527 3.7414 3.7980 3.9734 4.0054 4.1309 4.1425 7.5895 7.5947 8.3843 8.3918 8.5020 8.5106 9.5784 9.5822 k = 0.3026 0.2303 0.7753 ( 4712 PWs) bands (ev): -7.8642 -7.8639 -7.7503 -7.7500 -7.5022 -7.5019 -7.4189 -7.4182 -3.4752 -3.4595 -3.4549 -3.4462 -2.8428 -2.8172 -2.7993 -2.7853 -2.7734 -2.7631 -0.6966 -0.6827 -0.5200 -0.5086 -0.0102 0.0048 1.1516 1.1672 2.2684 2.3071 2.6564 2.7298 2.8464 2.8989 3.1894 3.2477 3.5765 3.6412 3.7564 3.8052 3.9751 4.0121 4.1389 4.1496 7.5718 7.5769 8.3775 8.3846 8.5268 8.5363 9.5809 9.5854 k = 0.3158 0.2403 0.7627 ( 4723 PWs) bands (ev): -7.8669 -7.8666 -7.7488 -7.7485 -7.5020 -7.5017 -7.4181 -7.4174 -3.4755 -3.4610 -3.4553 -3.4448 -2.8437 -2.8181 -2.8000 -2.7854 -2.7726 -2.7625 -0.7114 -0.6970 -0.5099 -0.4986 0.0142 0.0290 1.1692 1.1849 2.2268 2.2622 2.6251 2.6968 2.8584 2.9041 3.1951 3.2499 3.5782 3.6306 3.7709 3.8146 3.9788 4.0184 4.1493 4.1586 7.5509 7.5554 8.3703 8.3764 8.5571 8.5688 9.5849 9.5899 k = 0.3289 0.2503 0.7501 ( 4716 PWs) bands (ev): -7.8693 -7.8691 -7.7477 -7.7474 -7.5018 -7.5014 -7.4174 -7.4167 -3.4760 -3.4626 -3.4559 -3.4435 -2.8449 -2.8192 -2.8008 -2.7853 -2.7719 -2.7619 -0.7237 -0.7092 -0.5004 -0.4897 0.0416 0.0562 1.1899 1.2058 2.1819 2.2147 2.5900 2.6566 2.8718 2.9093 3.1972 3.2498 3.5790 3.6212 3.7846 3.8252 3.9840 4.0237 4.1619 4.1694 7.5284 7.5319 8.3628 8.3679 8.5925 8.6072 9.5899 9.5955 k = 0.3421 0.2603 0.7376 ( 4714 PWs) bands (ev): -7.8713 -7.8711 -7.7471 -7.7469 -7.5015 -7.5010 -7.4168 -7.4161 -3.4766 -3.4641 -3.4566 -3.4424 -2.8463 -2.8204 -2.8017 -2.7851 -2.7715 -2.7614 -0.7329 -0.7184 -0.4919 -0.4819 0.0709 0.0854 1.2133 1.2294 2.1354 2.1664 2.5517 2.6120 2.8853 2.9141 3.1955 3.2464 3.5787 3.6129 3.7972 3.8359 3.9900 4.0275 4.1761 4.1820 7.5058 7.5080 8.3551 8.3594 8.6323 8.6505 9.5956 9.6016 k = 0.3553 0.2704 0.7250 ( 4702 PWs) bands (ev): -7.8728 -7.8725 -7.7471 -7.7469 -7.5011 -7.5006 -7.4165 -7.4157 -3.4775 -3.4655 -3.4573 -3.4415 -2.8480 -2.8218 -2.8026 -2.7849 -2.7711 -2.7609 -0.7382 -0.7240 -0.4843 -0.4752 0.1012 0.1157 1.2390 1.2552 2.0891 2.1187 2.5110 2.5651 2.8980 2.9180 3.1901 3.2395 3.5773 3.6057 3.8087 3.8456 3.9956 4.0296 4.1908 4.1960 7.4843 7.4858 8.3476 8.3518 8.6757 8.6975 9.6009 9.6074 k = 0.3684 0.2804 0.7124 ( 4698 PWs) bands (ev): -7.8735 -7.8733 -7.7478 -7.7476 -7.5005 -7.5000 -7.4164 -7.4156 -3.4785 -3.4668 -3.4581 -3.4407 -2.8500 -2.8233 -2.8035 -2.7846 -2.7710 -2.7607 -0.7394 -0.7255 -0.4776 -0.4695 0.1318 0.1464 1.2664 1.2827 2.0440 2.0728 2.4688 2.5172 2.9090 2.9209 3.1815 3.2293 3.5751 3.5995 3.8190 3.8540 3.9999 4.0301 4.2051 4.2103 7.4648 7.4674 8.3404 8.3453 8.7217 8.7474 9.6044 9.6116 k = 0.3816 0.2904 0.6998 ( 4692 PWs) bands (ev): -7.8736 -7.8733 -7.7492 -7.7490 -7.4998 -7.4992 -7.4166 -7.4158 -3.4797 -3.4680 -3.4589 -3.4402 -2.8523 -2.8249 -2.8043 -2.7844 -2.7711 -2.7606 -0.7362 -0.7225 -0.4719 -0.4648 0.1617 0.1764 1.2949 1.3112 2.0015 2.0298 2.4263 2.4698 2.9164 2.9233 3.1704 3.2162 3.5725 3.5944 3.8278 3.8611 4.0024 4.0293 4.2178 4.2232 7.4491 7.4536 8.3342 8.3405 8.7694 8.7992 9.6044 9.6127 k = 0.3947 0.3004 0.6872 ( 4692 PWs) bands (ev): -7.8728 -7.8726 -7.7514 -7.7513 -7.4990 -7.4984 -7.4170 -7.4162 -3.4812 -3.4690 -3.4597 -3.4398 -2.8548 -2.8266 -2.8051 -2.7843 -2.7714 -2.7607 -0.7282 -0.7150 -0.4669 -0.4609 0.1901 0.2050 1.3239 1.3402 1.9625 1.9906 2.3844 2.4238 2.9172 2.9273 3.1573 3.2010 3.5698 3.5901 3.8352 3.8670 4.0030 4.0274 4.2277 4.2331 7.4384 7.4452 8.3293 8.3373 8.8180 8.8518 9.5987 9.6094 k = 0.4079 0.3104 0.6746 ( 4698 PWs) bands (ev): -7.8713 -7.8711 -7.7545 -7.7543 -7.4980 -7.4973 -7.4177 -7.4169 -3.4829 -3.4698 -3.4606 -3.4397 -2.8575 -2.8282 -2.8057 -2.7842 -2.7718 -2.7610 -0.7156 -0.7028 -0.4628 -0.4577 0.2163 0.2314 1.3525 1.3688 1.9279 1.9562 2.3441 2.3804 2.9130 2.9301 3.1429 3.1843 3.5672 3.5866 3.8410 3.8716 4.0018 4.0247 4.2337 4.2388 7.4335 7.4427 8.3263 8.3363 8.8664 8.9041 9.5861 9.6007 k = 0.4211 0.3204 0.6621 ( 4700 PWs) bands (ev): -7.8690 -7.8688 -7.7584 -7.7583 -7.4968 -7.4961 -7.4185 -7.4177 -3.4848 -3.4706 -3.4614 -3.4398 -2.8605 -2.8299 -2.8063 -2.7842 -2.7725 -2.7615 -0.6983 -0.6859 -0.4593 -0.4552 0.2397 0.2549 1.3796 1.3963 1.8982 1.9275 2.3065 2.3405 2.9050 2.9295 3.1276 3.1670 3.5647 3.5837 3.8452 3.8749 3.9995 4.0216 4.2346 4.2398 7.4348 7.4464 8.3254 8.3375 8.9136 8.9552 9.5664 9.5862 k = 0.4342 0.3304 0.6495 ( 4704 PWs) bands (ev): -7.8660 -7.8658 -7.7633 -7.7632 -7.4955 -7.4948 -7.4194 -7.4186 -3.4868 -3.4714 -3.4622 -3.4400 -2.8636 -2.8316 -2.8067 -2.7843 -2.7733 -2.7621 -0.6765 -0.6645 -0.4566 -0.4531 0.2597 0.2750 1.4044 1.4219 1.8739 1.9052 2.2724 2.3053 2.8933 2.9246 3.1120 3.1500 3.5623 3.5813 3.8477 3.8767 3.9965 4.0182 4.2300 4.2356 7.4424 7.4562 8.3269 8.3411 8.9585 9.0036 9.5406 9.5659 k = 0.4474 0.3404 0.6369 ( 4702 PWs) bands (ev): -7.8622 -7.8621 -7.7691 -7.7690 -7.4940 -7.4933 -7.4203 -7.4195 -3.4888 -3.4721 -3.4629 -3.4403 -2.8668 -2.8333 -2.8071 -2.7844 -2.7742 -2.7629 -0.6504 -0.6389 -0.4545 -0.4514 0.2758 0.2912 1.4256 1.4449 1.8552 1.8896 2.2427 2.2756 2.8777 2.9151 3.0966 3.1340 3.5600 3.5792 3.8483 3.8768 3.9933 4.0147 4.2200 4.2266 7.4559 7.4717 8.3309 8.3475 8.9996 9.0476 9.5102 9.5409 k = 0.4605 0.3505 0.6243 ( 4698 PWs) bands (ev): -7.8580 -7.8578 -7.7757 -7.7756 -7.4924 -7.4916 -7.4211 -7.4203 -3.4909 -3.4728 -3.4636 -3.4408 -2.8700 -2.8350 -2.8074 -2.7847 -2.7750 -2.7638 -0.6205 -0.6094 -0.4527 -0.4497 0.2879 0.3033 1.4427 1.4645 1.8420 1.8808 2.2184 2.2525 2.8586 2.9008 3.0817 3.1194 3.5573 3.5771 3.8471 3.8751 3.9902 4.0109 4.2056 4.2134 7.4746 7.4921 8.3375 8.3565 9.0349 9.0851 9.4770 9.5128 k = 0.4737 0.3605 0.6117 ( 4708 PWs) bands (ev): -7.8536 -7.8534 -7.7828 -7.7827 -7.4905 -7.4898 -7.4217 -7.4209 -3.4929 -3.4736 -3.4641 -3.4414 -2.8732 -2.8368 -2.8076 -2.7852 -2.7758 -2.7648 -0.5877 -0.5771 -0.4508 -0.4476 0.2961 0.3114 1.4551 1.4800 1.8340 1.8779 2.2003 2.2366 2.8361 2.8820 3.0673 3.1062 3.5539 3.5746 3.8440 3.8715 3.9865 4.0062 4.1884 4.1973 7.4976 7.5165 8.3467 8.3681 9.0618 9.1133 9.4429 9.4836 k = 0.4868 0.3705 0.5992 ( 4708 PWs) bands (ev): -7.8498 -7.8496 -7.7899 -7.7898 -7.4885 -7.4878 -7.4220 -7.4212 -3.4949 -3.4745 -3.4647 -3.4420 -2.8762 -2.8386 -2.8078 -2.7858 -2.7764 -2.7659 -0.5540 -0.5436 -0.4472 -0.4436 0.3005 0.3157 1.4631 1.4910 1.8306 1.8795 2.1893 2.2283 2.8108 2.8592 3.0536 3.0942 3.5494 3.5712 3.8391 3.8664 3.9811 3.9995 4.1707 4.1806 7.5238 7.5437 8.3579 8.3819 9.0769 9.1284 9.4096 9.4555 k = 0.5000 0.3805 0.5866 ( 4708 PWs) bands (ev): -7.8479 -7.8477 -7.7955 -7.7953 -7.4864 -7.4856 -7.4220 -7.4212 -3.4968 -3.4754 -3.4651 -3.4426 -2.8790 -2.8403 -2.8080 -2.7866 -2.7768 -2.7670 -0.5238 -0.5137 -0.4377 -0.4338 0.3018 0.3168 1.4671 1.4975 1.8310 1.8841 2.1858 2.2275 2.7832 2.8333 3.0404 3.0832 3.5434 3.5664 3.8323 3.8601 3.9720 3.9897 4.1554 4.1661 7.5522 7.5726 8.3705 8.3972 9.0768 9.1273 9.3762 9.4261 k = 0.5000 0.3805 0.5866 ( 4708 PWs) bands (ev): -7.8479 -7.8477 -7.7955 -7.7953 -7.4864 -7.4856 -7.4220 -7.4212 -3.4968 -3.4754 -3.4651 -3.4426 -2.8790 -2.8403 -2.8080 -2.7866 -2.7768 -2.7670 -0.5238 -0.5137 -0.4377 -0.4338 0.3018 0.3168 1.4671 1.4975 1.8310 1.8841 2.1858 2.2275 2.7832 2.8333 3.0404 3.0832 3.5434 3.5664 3.8323 3.8601 3.9720 3.9897 4.1554 4.1661 7.5522 7.5726 8.3705 8.3972 9.0768 9.1273 9.3762 9.4261 k = 0.5000 0.3805 0.5656 ( 4710 PWs) bands (ev): -7.8480 -7.8477 -7.8024 -7.8021 -7.4822 -7.4815 -7.4214 -7.4207 -3.4996 -3.4769 -3.4659 -3.4436 -2.8834 -2.8434 -2.8083 -2.7880 -2.7773 -2.7688 -0.4808 -0.4716 -0.4122 -0.4085 0.3026 0.3166 1.4712 1.5051 1.8344 1.8935 2.1862 2.2321 2.7360 2.7881 3.0195 3.0658 3.5316 3.5566 3.8191 3.8481 3.9527 3.9704 4.1334 4.1449 7.6010 7.6217 8.3900 8.4212 9.0543 9.1028 9.3155 9.3645 k = 0.5000 0.3805 0.5447 ( 4706 PWs) bands (ev): -7.8489 -7.8485 -7.8094 -7.8090 -7.4776 -7.4768 -7.4205 -7.4199 -3.5021 -3.4785 -3.4669 -3.4447 -2.8872 -2.8466 -2.8086 -2.7895 -2.7778 -2.7706 -0.4390 -0.4311 -0.3852 -0.3828 0.3055 0.3176 1.4763 1.5138 1.8384 1.9036 2.1863 2.2365 2.6898 2.7435 3.0002 3.0494 3.5192 3.5462 3.8057 3.8357 3.9335 3.9511 4.1108 4.1231 7.6500 7.6708 8.4037 8.4392 9.0178 9.0656 9.2491 9.2893 k = 0.5000 0.3805 0.5237 ( 4706 PWs) bands (ev): -7.8509 -7.8504 -7.8161 -7.8156 -7.4723 -7.4715 -7.4193 -7.4187 -3.5042 -3.4801 -3.4680 -3.4458 -2.8905 -2.8499 -2.8090 -2.7910 -2.7782 -2.7724 -0.4009 -0.3933 -0.3572 -0.3558 0.3114 0.3205 1.4825 1.5239 1.8428 1.9142 2.1860 2.2406 2.6456 2.7002 2.9829 3.0342 3.5063 3.5351 3.7925 3.8228 3.9147 3.9319 4.0879 4.1011 7.6985 7.7188 8.4095 8.4489 8.9728 9.0206 9.1768 9.2055 k = 0.5000 0.3805 0.5028 ( 4710 PWs) bands (ev): -7.8544 -7.8538 -7.8221 -7.8215 -7.4665 -7.4658 -7.4176 -7.4171 -3.5058 -3.4819 -3.4692 -3.4469 -2.8932 -2.8533 -2.8094 -2.7926 -2.7787 -2.7740 -0.3696 -0.3590 -0.3318 -0.3241 0.3215 0.3264 1.4901 1.5356 1.8478 1.9254 2.1852 2.2442 2.6041 2.6589 2.9677 3.0206 3.4928 3.5233 3.7795 3.8094 3.8963 3.9130 4.0649 4.0791 7.7455 7.7647 8.4059 8.4475 8.9228 8.9704 9.1009 9.1212 k = 0.5000 0.3805 0.4818 ( 4702 PWs) bands (ev): -7.8597 -7.8591 -7.8271 -7.8264 -7.4602 -7.4595 -7.4154 -7.4150 -3.5070 -3.4837 -3.4705 -3.4479 -2.8953 -2.8566 -2.8097 -2.7943 -2.7791 -2.7754 -0.3452 -0.3302 -0.3066 -0.2918 0.3358 0.3372 1.4992 1.5491 1.8534 1.9371 2.1839 2.2473 2.5661 2.6202 2.9549 3.0087 3.4788 3.5109 3.7669 3.7955 3.8789 3.8944 4.0421 4.0576 7.7897 7.8072 8.3918 8.4333 8.8672 8.9137 9.0250 9.0458 k = 0.5000 0.3805 0.4609 ( 4702 PWs) bands (ev): -7.8666 -7.8661 -7.8312 -7.8304 -7.4535 -7.4528 -7.4128 -7.4125 -3.5078 -3.4856 -3.4718 -3.4489 -2.8968 -2.8599 -2.8101 -2.7963 -2.7795 -2.7766 -0.3265 -0.3089 -0.2817 -0.2615 0.3512 0.3584 1.5100 1.5647 1.8596 1.9491 2.1819 2.2497 2.5321 2.5845 2.9446 2.9986 3.4642 3.4978 3.7543 3.7811 3.8624 3.8763 4.0198 4.0368 7.8299 7.8449 8.3672 8.4062 8.8033 8.8462 8.9559 8.9852 k = 0.5000 0.3805 0.4399 ( 4694 PWs) bands (ev): -7.8748 -7.8743 -7.8346 -7.8339 -7.4464 -7.4457 -7.4098 -7.4094 -3.5081 -3.4876 -3.4732 -3.4497 -2.8978 -2.8629 -2.8103 -2.7986 -2.7798 -2.7776 -0.3136 -0.2954 -0.2579 -0.2350 0.3724 0.3866 1.5227 1.5826 1.8663 1.9613 2.1794 2.2514 2.5029 2.5525 2.9368 2.9904 3.4492 3.4840 3.7413 3.7667 3.8464 3.8595 3.9982 4.0170 7.8645 7.8761 8.3337 8.3680 8.7306 8.7672 8.8987 8.9374 k = 0.5000 0.3805 0.4190 ( 4704 PWs) bands (ev): -7.8838 -7.8834 -7.8378 -7.8370 -7.4390 -7.4383 -7.4062 -7.4059 -3.5079 -3.4896 -3.4746 -3.4504 -2.8983 -2.8656 -2.8105 -2.8011 -2.7802 -2.7783 -0.3074 -0.2890 -0.2361 -0.2129 0.4005 0.4214 1.5374 1.6027 1.8737 1.9735 2.1762 2.2522 2.4790 2.5244 2.9315 2.9841 3.4337 3.4696 3.7265 3.7535 3.8300 3.8453 3.9776 3.9983 7.8919 7.8991 8.2931 8.3214 8.6520 8.6820 8.8510 8.8968 k = 0.5000 0.3805 0.3980 ( 4700 PWs) bands (ev): -7.8933 -7.8930 -7.8410 -7.8402 -7.4314 -7.4307 -7.4023 -7.4019 -3.5073 -3.4916 -3.4761 -3.4510 -2.8984 -2.8679 -2.8106 -2.8037 -2.7806 -2.7788 -0.3087 -0.2891 -0.2165 -0.1948 0.4352 0.4624 1.5541 1.6251 1.8816 1.9853 2.1725 2.2523 2.4608 2.5007 2.9286 2.9798 3.4177 3.4547 3.7091 3.7421 3.8126 3.8344 3.9582 3.9808 7.9098 7.9126 8.2479 8.2694 8.5713 8.5953 8.8107 8.8597 k = 0.5000 0.3805 0.3771 ( 4704 PWs) bands (ev): -7.9031 -7.9028 -7.8443 -7.8434 -7.4236 -7.4229 -7.3979 -7.3975 -3.5063 -3.4936 -3.4775 -3.4515 -2.8982 -2.8697 -2.8106 -2.8064 -2.7812 -2.7789 -0.3174 -0.2954 -0.1993 -0.1800 0.4760 0.5084 1.5726 1.6495 1.8901 1.9962 2.1685 2.2516 2.4487 2.4822 2.9281 2.9774 3.4014 3.4392 3.6891 3.7321 3.7950 3.8264 3.9402 3.9648 7.9133 7.9188 8.1997 8.2149 8.4908 8.5097 8.7778 8.8262 k = 0.5000 0.3805 0.3561 ( 4710 PWs) bands (ev): -7.9129 -7.9126 -7.8477 -7.8469 -7.4156 -7.4149 -7.3932 -7.3927 -3.5049 -3.4955 -3.4789 -3.4520 -2.8978 -2.8709 -2.8109 -2.8089 -2.7819 -2.7789 -0.3325 -0.3076 -0.1846 -0.1679 0.5219 0.5584 1.5929 1.6754 1.8990 2.0056 2.1645 2.2502 2.4424 2.4696 2.9296 2.9768 3.3848 3.4234 3.6671 3.7219 3.7788 3.8206 3.9237 3.9501 7.9038 7.9152 8.1494 8.1601 8.4122 8.4265 8.7531 8.7979 k = 0.5000 0.3805 0.3352 ( 4710 PWs) bands (ev): -7.9226 -7.9224 -7.8514 -7.8505 -7.4076 -7.4070 -7.3881 -7.3876 -3.5031 -3.4973 -3.4803 -3.4524 -2.8973 -2.8713 -2.8128 -2.8096 -2.7827 -2.7788 -0.3526 -0.3252 -0.1723 -0.1583 0.5716 0.6113 1.6145 1.7022 1.9082 2.0128 2.1611 2.2482 2.4411 2.4647 2.9331 2.9778 3.3680 3.4073 3.6435 3.7095 3.7658 3.8169 3.9088 3.9369 7.8838 7.9007 8.0967 8.1068 8.3361 8.3466 8.7367 8.7768 k = 0.5000 0.3805 0.3142 ( 4702 PWs) bands (ev): -7.9322 -7.9320 -7.8552 -7.8543 -7.3997 -7.3990 -7.3828 -7.3823 -3.5012 -3.4989 -3.4817 -3.4526 -2.8969 -2.8710 -2.8155 -2.8095 -2.7835 -2.7786 -0.3765 -0.3473 -0.1624 -0.1507 0.6242 0.6661 1.6370 1.7290 1.9175 2.0172 2.1587 2.2458 2.4434 2.4696 2.9382 2.9805 3.3510 3.3910 3.6188 3.6932 3.7573 3.8148 3.8954 3.9250 7.8556 7.8766 8.0425 8.0548 8.2629 8.2705 8.7280 8.7632 k = 0.5000 0.3805 0.2933 ( 4690 PWs) bands (ev): -7.9415 -7.9414 -7.8591 -7.8583 -7.3918 -7.3912 -7.3774 -7.3768 -3.5008 -3.4984 -3.4832 -3.4529 -2.8966 -2.8699 -2.8182 -2.8091 -2.7843 -2.7784 -0.4032 -0.3729 -0.1549 -0.1452 0.6786 0.7220 1.6599 1.7548 1.9265 2.0181 2.1578 2.2433 2.4499 2.4842 2.9448 2.9845 3.3341 3.3745 3.5931 3.6731 3.7530 3.8141 3.8835 3.9144 7.8221 7.8457 7.9883 8.0031 8.1924 8.1988 8.7257 8.7565 k = 0.5000 0.3805 0.2723 ( 4692 PWs) bands (ev): -7.9505 -7.9504 -7.8631 -7.8623 -7.3841 -7.3835 -7.3719 -7.3713 -3.5021 -3.4960 -3.4845 -3.4531 -2.8964 -2.8682 -2.8207 -2.8086 -2.7851 -2.7782 -0.4316 -0.4009 -0.1495 -0.1415 0.7340 0.7781 1.6827 1.7789 1.9348 2.0154 2.1588 2.2407 2.4621 2.5072 2.9525 2.9899 3.3173 3.3580 3.5663 3.6503 3.7519 3.8147 3.8730 3.9051 7.7858 7.8108 7.9351 7.9515 8.1247 8.1317 8.7281 8.7552 k = 0.5000 0.3805 0.2514 ( 4688 PWs) bands (ev): -7.9590 -7.9589 -7.8671 -7.8663 -7.3767 -7.3760 -7.3664 -7.3658 -3.5032 -3.4933 -3.4859 -3.4533 -2.8962 -2.8662 -2.8229 -2.8080 -2.7860 -2.7781 -0.4609 -0.4306 -0.1460 -0.1394 0.7895 0.8338 1.7050 1.8003 1.9416 2.0092 2.1615 2.2383 2.4813 2.5376 2.9612 2.9965 3.3007 3.3415 3.5387 3.6254 3.7530 3.8163 3.8638 3.8969 7.7490 7.7744 7.8836 7.9006 8.0602 8.0687 8.7334 8.7554 k = 0.5000 0.3805 0.2304 ( 4692 PWs) bands (ev): -7.9671 -7.9670 -7.8710 -7.8703 -7.3695 -7.3689 -7.3609 -7.3604 -3.5042 -3.4909 -3.4868 -3.4534 -2.8958 -2.8641 -2.8245 -2.8074 -2.7869 -2.7781 -0.4903 -0.4609 -0.1442 -0.1387 0.8446 0.8885 1.7264 1.8189 1.9464 2.0000 2.1656 2.2361 2.5078 2.5743 2.9707 3.0042 3.2844 3.3251 3.5100 3.5989 3.7555 3.8187 3.8557 3.8898 7.7131 7.7384 7.8344 7.8513 7.9996 8.0095 8.7017 8.7267 k = 0.5000 0.3805 0.2095 ( 4682 PWs) bands (ev): -7.9746 -7.9746 -7.8749 -7.8741 -7.3627 -7.3621 -7.3557 -7.3551 -3.5050 -3.4902 -3.4861 -3.4536 -2.8953 -2.8624 -2.8253 -2.8066 -2.7878 -2.7783 -0.5192 -0.4912 -0.1438 -0.1392 0.8986 0.9416 1.7465 1.8346 1.9486 1.9884 2.1707 2.2342 2.5415 2.6166 2.9806 3.0127 3.2684 3.3089 3.4803 3.5709 3.7591 3.8216 3.8488 3.8837 7.6795 7.7044 7.7883 7.8043 7.9431 7.9540 8.6426 8.6670 k = 0.5000 0.3805 0.1885 ( 4682 PWs) bands (ev): -7.9816 -7.9815 -7.8785 -7.8778 -7.3564 -7.3557 -7.3507 -7.3502 -3.5056 -3.4912 -3.4835 -3.4539 -2.8946 -2.8614 -2.8250 -2.8058 -2.7887 -2.7786 -0.5470 -0.5207 -0.1445 -0.1407 0.9510 0.9927 1.7651 1.8474 1.9480 1.9749 2.1765 2.2327 2.5817 2.6633 2.9910 3.0220 3.2530 3.2928 3.4493 3.5414 3.7634 3.8248 3.8430 3.8785 7.6490 7.6732 7.7457 7.7606 7.8908 7.9024 8.5823 8.6049 k = 0.5000 0.3805 0.1676 ( 4678 PWs) bands (ev): -7.9880 -7.9879 -7.8819 -7.8813 -7.3505 -7.3499 -7.3460 -7.3455 -3.5060 -3.4925 -3.4806 -3.4542 -2.8937 -2.8612 -2.8237 -2.8049 -2.7897 -2.7790 -0.5732 -0.5490 -0.1459 -0.1428 1.0012 1.0410 1.7821 1.8578 1.9446 1.9601 2.1825 2.2315 2.6273 2.7136 3.0016 3.0319 3.2383 3.2771 3.4171 3.5104 3.7682 3.8273 3.8387 3.8741 7.6221 7.6456 7.7073 7.7208 7.8430 7.8547 8.5224 8.5432 k = 0.5000 0.3805 0.1466 ( 4678 PWs) bands (ev): -7.9936 -7.9936 -7.8851 -7.8845 -7.3451 -7.3446 -7.3417 -7.3413 -3.5061 -3.4939 -3.4777 -3.4545 -2.8925 -2.8620 -2.8213 -2.8040 -2.7907 -2.7797 -0.5971 -0.5754 -0.1479 -0.1454 1.0487 1.0861 1.7974 1.8659 1.9389 1.9446 2.1886 2.2305 2.6770 2.7663 3.0123 3.0421 3.2243 3.2616 3.3835 3.4778 3.7732 3.8273 3.8377 3.8705 7.5992 7.6217 7.6734 7.6852 7.7998 7.8113 8.4643 8.4836 k = 0.5000 0.3805 0.1257 ( 4672 PWs) bands (ev): -7.9986 -7.9986 -7.8879 -7.8874 -7.3404 -7.3399 -7.3378 -7.3374 -3.5061 -3.4953 -3.4749 -3.4550 -2.8911 -2.8635 -2.8182 -2.8030 -2.7917 -2.7807 -0.6186 -0.5994 -0.1502 -0.1481 1.0929 1.1272 1.8108 1.8721 1.9286 1.9317 2.1946 2.2298 2.7297 2.8202 3.0232 3.0523 3.2115 3.2464 3.3485 3.4436 3.7783 3.8246 3.8398 3.8674 7.5805 7.6017 7.6443 7.6543 7.7613 7.7723 8.4097 8.4275 k = 0.5000 0.3805 0.1047 ( 4672 PWs) bands (ev): -8.0029 -8.0029 -7.8903 -7.8899 -7.3363 -7.3358 -7.3345 -7.3341 -3.5059 -3.4967 -3.4722 -3.4556 -2.8894 -2.8655 -2.8146 -2.8020 -2.7927 -2.7820 -0.6370 -0.6208 -0.1525 -0.1508 1.1331 1.1635 1.8225 1.8766 1.9134 1.9233 2.2003 2.2291 2.7839 2.8741 3.0341 3.0621 3.2001 3.2316 3.3122 3.4076 3.7833 3.8211 3.8429 3.8649 7.5659 7.5853 7.6204 7.6285 7.7276 7.7378 8.3603 8.3763 k = 0.5000 0.3805 0.0838 ( 4664 PWs) bands (ev): -8.0064 -8.0064 -7.8924 -7.8920 -7.3328 -7.3325 -7.3316 -7.3314 -3.5056 -3.4980 -3.4696 -3.4564 -2.8875 -2.8678 -2.8108 -2.8008 -2.7937 -2.7836 -0.6523 -0.6391 -0.1546 -0.1533 1.1684 1.1943 1.8322 1.8793 1.8995 1.9148 2.2056 2.2282 2.8385 2.9264 3.0452 3.0708 3.1910 3.2171 3.2752 3.3699 3.7880 3.8176 3.8461 3.8628 7.5552 7.5720 7.6019 7.6080 7.6991 7.7082 8.3176 8.3314 k = 0.5000 0.3805 0.0628 ( 4666 PWs) bands (ev): -8.0092 -8.0092 -7.8940 -7.8937 -7.3301 -7.3298 -7.3294 -7.3292 -3.5051 -3.4993 -3.4672 -3.4573 -2.8855 -2.8704 -2.8071 -2.7995 -2.7948 -2.7855 -0.6640 -0.6540 -0.1564 -0.1555 1.1982 1.2186 1.8401 1.8786 1.8897 1.9071 2.2104 2.2272 2.8921 2.9742 3.0565 3.0776 3.1851 3.2028 3.2389 3.3309 3.7924 3.8142 3.8490 3.8610 7.5480 7.5611 7.5888 7.5930 7.6760 7.6837 8.2831 8.2942 k = 0.5000 0.3805 0.0419 ( 4666 PWs) bands (ev): -8.0112 -8.0112 -7.8951 -7.8950 -7.3282 -7.3279 -7.3278 -7.3276 -3.5044 -3.5005 -3.4651 -3.4585 -2.8832 -2.8730 -2.8039 -2.7983 -2.7956 -2.7877 -0.6720 -0.6653 -0.1577 -0.1571 1.2214 1.2355 1.8465 1.8715 1.8879 1.9006 2.2146 2.2257 2.9430 3.0123 3.0684 3.0814 3.1820 3.1897 3.2084 3.2913 3.7966 3.8108 3.8516 3.8594 7.5437 7.5525 7.5807 7.5836 7.6590 7.6647 8.2582 8.2659 k = 0.5000 0.3805 0.0209 ( 4652 PWs) bands (ev): -8.0124 -8.0124 -7.8958 -7.8957 -7.3270 -7.3269 -7.3267 -7.3267 -3.5036 -3.5016 -3.4631 -3.4598 -2.8808 -2.8756 -2.8012 -2.7981 -2.7949 -2.7901 -0.6762 -0.6728 -0.1585 -0.1582 1.2373 1.2445 1.8518 1.8636 1.8893 1.8956 2.2183 2.2238 2.9886 3.0312 3.0783 3.0820 3.1722 3.1820 3.2007 3.2531 3.8004 3.8074 3.8539 3.8577 7.5420 7.5463 7.5768 7.5785 7.6489 7.6521 8.2436 8.2476 k = 0.5000 0.3805 0.0000 ( 4656 PWs) bands (ev): -8.0128 -8.0128 -7.8960 -7.8960 -7.3266 -7.3266 -7.3264 -7.3264 -3.5027 -3.5027 -3.4613 -3.4613 -2.8782 -2.8782 -2.7994 -2.7994 -2.7927 -2.7927 -0.6765 -0.6765 -0.1587 -0.1587 1.2451 1.2451 1.8571 1.8571 1.8919 1.8919 2.2213 2.2213 3.0221 3.0221 3.0812 3.0812 3.1722 3.1722 3.2205 3.2205 3.8040 3.8040 3.8559 3.8559 7.5428 7.5428 7.5763 7.5763 7.6466 7.6466 8.2401 8.2401 k = 0.0000 0.0000 0.8256 ( 4692 PWs) bands (ev): -7.8574 -7.8574 -7.7557 -7.7557 -7.5007 -7.5007 -7.4203 -7.4203 -3.4669 -3.4669 -3.4504 -3.4504 -2.8282 -2.8282 -2.7963 -2.7963 -2.7598 -2.7598 -0.8163 -0.8163 -0.5993 -0.5993 0.3201 0.3201 1.4550 1.4550 1.8223 1.8223 2.1846 2.1846 3.1328 3.1328 3.2415 3.2415 3.6252 3.6252 3.9291 3.9291 4.1337 4.1337 4.2902 4.2902 7.2256 7.2256 8.1673 8.1673 8.7492 8.7492 9.5675 9.5675 k = 0.0167 0.0127 0.8256 ( 4694 PWs) bands (ev): -7.8574 -7.8574 -7.7557 -7.7557 -7.5007 -7.5007 -7.4203 -7.4202 -3.4678 -3.4659 -3.4505 -3.4505 -2.8294 -2.8270 -2.7965 -2.7959 -2.7602 -2.7596 -0.8149 -0.8148 -0.5989 -0.5986 0.3150 0.3168 1.4483 1.4512 1.8266 1.8277 2.1880 2.1961 3.1307 3.1312 3.2404 3.2426 3.6244 3.6259 3.9284 3.9290 4.1311 4.1314 4.2883 4.2884 7.2291 7.2292 8.1693 8.1699 8.7473 8.7475 9.5680 9.5680 k = 0.0333 0.0254 0.8256 ( 4690 PWs) bands (ev): -7.8574 -7.8574 -7.7557 -7.7557 -7.5007 -7.5007 -7.4203 -7.4202 -3.4686 -3.4650 -3.4505 -3.4505 -2.8306 -2.8259 -2.7968 -2.7955 -2.7608 -2.7595 -0.8108 -0.8105 -0.5975 -0.5968 0.3019 0.3056 1.4319 1.4376 1.8406 1.8431 2.2058 2.2214 3.1249 3.1260 3.2391 3.2435 3.6232 3.6263 3.9269 3.9280 4.1236 4.1242 4.2825 4.2828 7.2395 7.2397 8.1760 8.1772 8.7416 8.7420 9.5693 9.5694 k = 0.0500 0.0381 0.8256 ( 4706 PWs) bands (ev): -7.8573 -7.8573 -7.7557 -7.7556 -7.5008 -7.5008 -7.4204 -7.4202 -3.4695 -3.4640 -3.4506 -3.4505 -2.8318 -2.8247 -2.7970 -2.7950 -2.7615 -2.7596 -0.8040 -0.8034 -0.5951 -0.5940 0.2815 0.2869 1.4076 1.4156 1.8636 1.8683 2.2361 2.2584 3.1155 3.1170 3.2374 3.2444 3.6216 3.6267 3.9244 3.9259 4.1116 4.1124 4.2733 4.2738 7.2566 7.2569 8.1870 8.1888 8.7322 8.7327 9.5714 9.5715 k = 0.0667 0.0507 0.8256 ( 4710 PWs) bands (ev): -7.8572 -7.8572 -7.7557 -7.7556 -7.5009 -7.5009 -7.4205 -7.4202 -3.4702 -3.4630 -3.4506 -3.4506 -2.8330 -2.8236 -2.7971 -2.7944 -2.7624 -2.7598 -0.7946 -0.7938 -0.5917 -0.5903 0.2549 0.2618 1.3776 1.3876 1.8952 1.9023 2.2760 2.3043 3.1024 3.1043 3.2354 3.2452 3.6196 3.6270 3.9206 3.9224 4.0960 4.0970 4.2610 4.2619 7.2797 7.2802 8.2019 8.2044 8.7188 8.7196 9.5740 9.5741 k = 0.0833 0.0634 0.8256 ( 4710 PWs) bands (ev): -7.8571 -7.8571 -7.7556 -7.7556 -7.5011 -7.5011 -7.4205 -7.4202 -3.4710 -3.4621 -3.4508 -3.4507 -2.8342 -2.8225 -2.7973 -2.7937 -2.7635 -2.7602 -0.7828 -0.7817 -0.5876 -0.5858 0.2234 0.2316 1.3443 1.3557 1.9341 1.9439 2.3229 2.3566 3.0856 3.0878 3.2329 3.2459 3.6171 3.6275 3.9152 3.9168 4.0776 4.0788 4.2463 4.2477 7.3083 7.3090 8.2203 8.2234 8.7015 8.7024 9.5768 9.5770 k = 0.1000 0.0761 0.8256 ( 4702 PWs) bands (ev): -7.8570 -7.8570 -7.7556 -7.7555 -7.5012 -7.5012 -7.4206 -7.4202 -3.4716 -3.4611 -3.4509 -3.4508 -2.8353 -2.8215 -2.7974 -2.7928 -2.7646 -2.7606 -0.7689 -0.7674 -0.5829 -0.5807 0.1883 0.1976 1.3095 1.3221 1.9791 1.9919 2.3744 2.4133 3.0651 3.0675 3.2296 3.2464 3.6141 3.6282 3.9077 3.9084 4.0578 4.0595 4.2298 4.2320 7.3415 7.3425 8.2414 8.2452 8.6803 8.6814 9.5796 9.5799 k = 0.1167 0.0888 0.8256 ( 4698 PWs) bands (ev): -7.8569 -7.8569 -7.7556 -7.7555 -7.5014 -7.5014 -7.4207 -7.4202 -3.4722 -3.4602 -3.4511 -3.4508 -2.8364 -2.8205 -2.7976 -2.7919 -2.7660 -2.7611 -0.7532 -0.7513 -0.5777 -0.5751 0.1509 0.1613 1.2750 1.2883 2.0287 2.0446 2.4283 2.4725 3.0410 3.0437 3.2255 3.2466 3.6104 3.6294 3.8958 3.8973 4.0384 4.0409 4.2123 4.2154 7.3783 7.3796 8.2644 8.2688 8.6555 8.6567 9.5819 9.5824 k = 0.1333 0.1015 0.8256 ( 4696 PWs) bands (ev): -7.8568 -7.8567 -7.7556 -7.7554 -7.5016 -7.5015 -7.4208 -7.4203 -3.4728 -3.4593 -3.4513 -3.4509 -2.8375 -2.8195 -2.7977 -2.7909 -2.7674 -2.7617 -0.7362 -0.7338 -0.5724 -0.5694 0.1127 0.1241 1.2420 1.2559 2.0814 2.1007 2.4830 2.5325 3.0137 3.0164 3.2203 3.2464 3.6060 3.6312 3.8781 3.8836 4.0210 4.0250 4.1946 4.1989 7.4175 7.4191 8.2885 8.2933 8.6276 8.6290 9.5835 9.5841 k = 0.1500 0.1142 0.8256 ( 4696 PWs) bands (ev): -7.8567 -7.8566 -7.7555 -7.7554 -7.5017 -7.5017 -7.4208 -7.4203 -3.4732 -3.4584 -3.4516 -3.4510 -2.8384 -2.8187 -2.7979 -2.7898 -2.7688 -2.7622 -0.7185 -0.7154 -0.5671 -0.5637 0.0749 0.0872 1.2116 1.2259 2.1354 2.1585 2.5366 2.5913 2.9837 2.9861 3.2137 3.2458 3.6009 3.6340 3.8553 3.8668 4.0067 4.0128 4.1775 4.1831 7.4577 7.4596 8.3125 8.3178 8.5976 8.5993 9.5841 9.5849 k = 0.1667 0.1268 0.8256 ( 4698 PWs) bands (ev): -7.8565 -7.8565 -7.7555 -7.7554 -7.5019 -7.5019 -7.4209 -7.4203 -3.4736 -3.4576 -3.4519 -3.4511 -2.8392 -2.8178 -2.7980 -2.7886 -2.7704 -2.7628 -0.7008 -0.6969 -0.5621 -0.5582 0.0391 0.0522 1.1845 1.1991 2.1891 2.2164 2.5877 2.6471 2.9523 2.9535 3.2056 3.2448 3.5950 3.6381 3.8284 3.8482 3.9958 4.0042 4.1616 4.1687 7.4971 7.4995 8.3355 8.3409 8.5669 8.5689 9.5837 9.5848 k = 0.1833 0.1395 0.8256 ( 4706 PWs) bands (ev): -7.8564 -7.8564 -7.7555 -7.7553 -7.5020 -7.5020 -7.4210 -7.4204 -3.4740 -3.4568 -3.4522 -3.4512 -2.8399 -2.8171 -2.7982 -2.7873 -2.7719 -2.7633 -0.6840 -0.6793 -0.5577 -0.5532 0.0066 0.0205 1.1615 1.1763 2.2403 2.2725 2.6345 2.6965 2.9196 2.9217 3.1959 3.2433 3.5887 3.6438 3.7993 3.8297 3.9879 3.9985 4.1477 4.1562 7.5341 7.5369 8.3564 8.3615 8.5369 8.5397 9.5825 9.5838 k = 0.2000 0.1522 0.8256 ( 4710 PWs) bands (ev): -7.8564 -7.8563 -7.7554 -7.7553 -7.5021 -7.5021 -7.4210 -7.4204 -3.4742 -3.4561 -3.4525 -3.4512 -2.8405 -2.8166 -2.7983 -2.7861 -2.7734 -2.7637 -0.6691 -0.6635 -0.5539 -0.5490 -0.0211 -0.0065 1.1430 1.1580 2.2863 2.3241 2.6757 2.7347 2.8860 2.8967 3.1850 3.2416 3.5824 3.6518 3.7701 3.8133 3.9824 3.9950 4.1362 4.1461 7.5664 7.5697 8.3742 8.3784 8.5099 8.5138 9.5808 9.5823 k = 0.2167 0.1649 0.8256 ( 4712 PWs) bands (ev): -7.8563 -7.8562 -7.7554 -7.7553 -7.5022 -7.5022 -7.4210 -7.4204 -3.4744 -3.4555 -3.4529 -3.4513 -2.8409 -2.8161 -2.7984 -2.7849 -2.7747 -2.7640 -0.6574 -0.6510 -0.5512 -0.5457 -0.0423 -0.0271 1.1296 1.1446 2.3238 2.3676 2.7097 2.7550 2.8549 2.8842 3.1744 3.2400 3.5768 3.6624 3.7424 3.8006 3.9789 3.9930 4.1276 4.1387 7.5918 7.5954 8.3879 8.3905 8.4880 8.4937 9.5791 9.5808 k = 0.2333 0.1776 0.8256 ( 4710 PWs) bands (ev): -7.8563 -7.8562 -7.7554 -7.7553 -7.5023 -7.5023 -7.4211 -7.4204 -3.4745 -3.4549 -3.4533 -3.4513 -2.8412 -2.8159 -2.7985 -2.7840 -2.7757 -2.7642 -0.6498 -0.6429 -0.5494 -0.5436 -0.0558 -0.0402 1.1214 1.1364 2.3488 2.3977 2.7349 2.7579 2.8301 2.8846 3.1661 3.2388 3.5730 3.6759 3.7178 3.7927 3.9768 3.9919 4.1223 4.1342 7.6080 7.6119 8.3968 8.3974 8.4735 8.4813 9.5779 9.5797 k = 0.2500 0.1903 0.8256 ( 4712 PWs) bands (ev): -7.8562 -7.8562 -7.7554 -7.7553 -7.5023 -7.5023 -7.4211 -7.4204 -3.4746 -3.4547 -3.4535 -3.4513 -2.8412 -2.8158 -2.7985 -2.7837 -2.7761 -2.7642 -0.6472 -0.6400 -0.5488 -0.5429 -0.0604 -0.0447 1.1186 1.1337 2.3577 2.4087 2.7454 2.7563 2.8193 2.8869 3.1629 3.2383 3.5716 3.6880 3.7019 3.7900 3.9762 3.9916 4.1205 4.1327 7.6137 7.6176 8.3995 8.3999 8.4684 8.4772 9.5774 9.5793 Writing output data file Al2CdSe4.save init_run : 5.38s CPU 11.29s WALL ( 1 calls) electrons : 950.32s CPU 959.53s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.66s CPU 2.01s WALL ( 1 calls) Called by electrons: c_bands : 950.27s CPU 959.19s WALL ( 1 calls) v_of_rho : 0.17s CPU 1.12s WALL ( 1 calls) v_h : 0.05s CPU 0.05s WALL ( 1 calls) v_xc : 0.12s CPU 0.69s WALL ( 1 calls) newd : 0.93s CPU 1.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.07s WALL ( 275 calls) cegterg : 902.31s CPU 908.05s WALL ( 821 calls) Called by sum_band: Called by *egterg: h_psi : 540.20s CPU 549.86s WALL ( 14612 calls) s_psi : 26.44s CPU 26.89s WALL ( 14612 calls) g_psi : 0.74s CPU 0.77s WALL ( 13516 calls) cdiaghg : 256.37s CPU 255.88s WALL ( 13791 calls) cegterg:over : 52.97s CPU 50.18s WALL ( 13516 calls) cegterg:upda : 14.11s CPU 16.29s WALL ( 13516 calls) cegterg:last : 10.11s CPU 10.65s WALL ( 2008 calls) Called by h_psi: h_psi:vloc : 480.29s CPU 488.26s WALL ( 14612 calls) h_psi:vnl : 59.52s CPU 60.77s WALL ( 14612 calls) add_vuspsi : 19.76s CPU 23.19s WALL ( 14612 calls) General routines calbec : 39.66s CPU 37.37s WALL ( 14612 calls) fft : 0.47s CPU 1.21s WALL ( 19 calls) ffts : 0.03s CPU 0.26s WALL ( 4 calls) fftw : 384.50s CPU 388.24s WALL ( 1168056 calls) interpolate : 0.11s CPU 0.36s WALL ( 4 calls) davcio : 0.07s CPU 1.76s WALL ( 550 calls) Parallel routines fft_scatter : 228.15s CPU 227.01s WALL ( 1168079 calls) PWSCF : 16m45.48s CPU 17m49.03s WALL This run was terminated on: 22:21:33 23Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=