Program PWSCF v.5.1.1 starts on 25Oct2015 at 13:56: 1 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 170 40 11 7170 821 127 Max 171 41 12 7172 841 130 Sum 8185 1959 561 344199 39973 6169 bravais-lattice index = 14 lattice parameter (alat) = 12.9302 a.u. unit-cell volume = 1261.7974 (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)= 12.930176 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.633264 celldm(5)= -0.633264 celldm(6)= 0.266527 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.266527 0.963827 0.000000 ) a(3) = ( -0.633264 -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 1.651289 ) 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= 269 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037175 k( 2) = ( 0.0000000 0.0000000 0.0217275), wk = 0.0037175 k( 3) = ( 0.0000000 0.0000000 0.0434550), wk = 0.0037175 k( 4) = ( 0.0000000 0.0000000 0.0651824), wk = 0.0037175 k( 5) = ( 0.0000000 0.0000000 0.0869099), wk = 0.0037175 k( 6) = ( 0.0000000 0.0000000 0.1086374), wk = 0.0037175 k( 7) = ( 0.0000000 0.0000000 0.1303649), wk = 0.0037175 k( 8) = ( 0.0000000 0.0000000 0.1520924), wk = 0.0037175 k( 9) = ( 0.0000000 0.0000000 0.1738199), wk = 0.0037175 k( 10) = ( 0.0000000 0.0000000 0.1955473), wk = 0.0037175 k( 11) = ( 0.0000000 0.0000000 0.2172748), wk = 0.0037175 k( 12) = ( 0.0000000 0.0000000 0.2390023), wk = 0.0037175 k( 13) = ( 0.0000000 0.0000000 0.2607298), wk = 0.0037175 k( 14) = ( 0.0000000 0.0000000 0.2824573), wk = 0.0037175 k( 15) = ( 0.0000000 0.0000000 0.3041848), wk = 0.0037175 k( 16) = ( 0.0000000 0.0000000 0.3259122), wk = 0.0037175 k( 17) = ( 0.0000000 0.0000000 0.3476397), wk = 0.0037175 k( 18) = ( 0.0000000 0.0000000 0.3693672), wk = 0.0037175 k( 19) = ( 0.0000000 0.0000000 0.3910947), wk = 0.0037175 k( 20) = ( 0.0000000 0.0000000 0.4128222), wk = 0.0037175 k( 21) = ( 0.0000000 0.0000000 0.4345496), wk = 0.0037175 k( 22) = ( 0.0000000 0.0000000 0.4562771), wk = 0.0037175 k( 23) = ( 0.0000000 0.0000000 0.4780046), wk = 0.0037175 k( 24) = ( 0.0000000 0.0000000 0.4997321), wk = 0.0037175 k( 25) = ( 0.0000000 0.0000000 0.5214596), wk = 0.0037175 k( 26) = ( 0.0000000 0.0000000 0.5431871), wk = 0.0037175 k( 27) = ( 0.0000000 0.0000000 0.5649145), wk = 0.0037175 k( 28) = ( 0.0000000 0.0000000 0.5866420), wk = 0.0037175 k( 29) = ( 0.0000000 0.0000000 0.6083695), wk = 0.0037175 k( 30) = ( 0.0000000 0.0000000 0.6300970), wk = 0.0037175 k( 31) = ( 0.0000000 0.0000000 0.6518245), wk = 0.0037175 k( 32) = ( 0.0000000 0.0000000 0.6735520), wk = 0.0037175 k( 33) = ( 0.0000000 0.0000000 0.6952794), wk = 0.0037175 k( 34) = ( 0.0000000 0.0000000 0.7170069), wk = 0.0037175 k( 35) = ( 0.0000000 0.0000000 0.7387344), wk = 0.0037175 k( 36) = ( 0.0000000 0.0000000 0.7604619), wk = 0.0037175 k( 37) = ( 0.0000000 0.0000000 0.7821894), wk = 0.0037175 k( 38) = ( 0.0000000 0.0000000 0.8039169), wk = 0.0037175 k( 39) = ( 0.0000000 0.0000000 0.8256443), wk = 0.0037175 k( 40) = ( 0.0000000 0.0000000 0.8256443), wk = 0.0037175 k( 41) = ( -0.0131618 0.0172955 0.8256443), wk = 0.0037175 k( 42) = ( -0.0263237 0.0345909 0.8256443), wk = 0.0037175 k( 43) = ( -0.0394855 0.0518864 0.8256443), wk = 0.0037175 k( 44) = ( -0.0526474 0.0691818 0.8256443), wk = 0.0037175 k( 45) = ( -0.0658092 0.0864773 0.8256443), wk = 0.0037175 k( 46) = ( -0.0789711 0.1037727 0.8256443), wk = 0.0037175 k( 47) = ( -0.0921329 0.1210682 0.8256443), wk = 0.0037175 k( 48) = ( -0.1052948 0.1383637 0.8256443), wk = 0.0037175 k( 49) = ( -0.1184566 0.1556591 0.8256443), wk = 0.0037175 k( 50) = ( -0.1316185 0.1729546 0.8256443), wk = 0.0037175 k( 51) = ( -0.1447803 0.1902500 0.8256443), wk = 0.0037175 k( 52) = ( -0.1447803 0.1902500 0.8256443), wk = 0.0037175 k( 53) = ( -0.1536608 0.2019195 0.8109801), wk = 0.0037175 k( 54) = ( -0.1625413 0.2135890 0.7963158), wk = 0.0037175 k( 55) = ( -0.1714218 0.2252585 0.7816516), wk = 0.0037175 k( 56) = ( -0.1803023 0.2369280 0.7669873), wk = 0.0037175 k( 57) = ( -0.1891828 0.2485975 0.7523231), wk = 0.0037175 k( 58) = ( -0.1980633 0.2602670 0.7376588), wk = 0.0037175 k( 59) = ( -0.2069438 0.2719365 0.7229945), wk = 0.0037175 k( 60) = ( -0.2158242 0.2836060 0.7083303), wk = 0.0037175 k( 61) = ( -0.2247047 0.2952755 0.6936660), wk = 0.0037175 k( 62) = ( -0.2335852 0.3069451 0.6790018), wk = 0.0037175 k( 63) = ( -0.2424657 0.3186146 0.6643375), wk = 0.0037175 k( 64) = ( -0.2513462 0.3302841 0.6496733), wk = 0.0037175 k( 65) = ( -0.2602267 0.3419536 0.6350090), wk = 0.0037175 k( 66) = ( -0.2691072 0.3536231 0.6203447), wk = 0.0037175 k( 67) = ( -0.2779877 0.3652926 0.6056805), wk = 0.0037175 k( 68) = ( -0.2868682 0.3769621 0.5910162), wk = 0.0037175 k( 69) = ( -0.2957487 0.3886316 0.5763520), wk = 0.0037175 k( 70) = ( -0.3046292 0.4003011 0.5616877), wk = 0.0037175 k( 71) = ( -0.3135097 0.4119706 0.5470235), wk = 0.0037175 k( 72) = ( -0.3223901 0.4236401 0.5323592), wk = 0.0037175 k( 73) = ( -0.3223901 0.4236401 0.5323592), wk = 0.0037175 k( 74) = ( -0.3131790 0.4115361 0.5171489), wk = 0.0037175 k( 75) = ( -0.3039679 0.3994321 0.5019387), wk = 0.0037175 k( 76) = ( -0.2947567 0.3873281 0.4867284), wk = 0.0037175 k( 77) = ( -0.2855456 0.3752241 0.4715181), wk = 0.0037175 k( 78) = ( -0.2763344 0.3631201 0.4563079), wk = 0.0037175 k( 79) = ( -0.2671233 0.3510161 0.4410976), wk = 0.0037175 k( 80) = ( -0.2579121 0.3389121 0.4258874), wk = 0.0037175 k( 81) = ( -0.2487010 0.3268080 0.4106771), wk = 0.0037175 k( 82) = ( -0.2394898 0.3147041 0.3954668), wk = 0.0037175 k( 83) = ( -0.2302787 0.3026001 0.3802566), wk = 0.0037175 k( 84) = ( -0.2210675 0.2904960 0.3650463), wk = 0.0037175 k( 85) = ( -0.2118564 0.2783920 0.3498360), wk = 0.0037175 k( 86) = ( -0.2026452 0.2662880 0.3346258), wk = 0.0037175 k( 87) = ( -0.1934341 0.2541840 0.3194155), wk = 0.0037175 k( 88) = ( -0.1842229 0.2420800 0.3042053), wk = 0.0037175 k( 89) = ( -0.1750118 0.2299760 0.2889950), wk = 0.0037175 k( 90) = ( -0.1658006 0.2178720 0.2737847), wk = 0.0037175 k( 91) = ( -0.1565895 0.2057680 0.2585745), wk = 0.0037175 k( 92) = ( -0.1473783 0.1936640 0.2433642), wk = 0.0037175 k( 93) = ( -0.1381672 0.1815600 0.2281539), wk = 0.0037175 k( 94) = ( -0.1289561 0.1694560 0.2129437), wk = 0.0037175 k( 95) = ( -0.1197449 0.1573520 0.1977334), wk = 0.0037175 k( 96) = ( -0.1105338 0.1452480 0.1825232), wk = 0.0037175 k( 97) = ( -0.1013226 0.1331440 0.1673129), wk = 0.0037175 k( 98) = ( -0.0921115 0.1210400 0.1521026), wk = 0.0037175 k( 99) = ( -0.0829003 0.1089360 0.1368924), wk = 0.0037175 k( 100) = ( -0.0736892 0.0968320 0.1216821), wk = 0.0037175 k( 101) = ( -0.0644780 0.0847280 0.1064718), wk = 0.0037175 k( 102) = ( -0.0552669 0.0726240 0.0912616), wk = 0.0037175 k( 103) = ( -0.0460557 0.0605200 0.0760513), wk = 0.0037175 k( 104) = ( -0.0368446 0.0484160 0.0608411), wk = 0.0037175 k( 105) = ( -0.0276334 0.0363120 0.0456308), wk = 0.0037175 k( 106) = ( -0.0184223 0.0242080 0.0304205), wk = 0.0037175 k( 107) = ( -0.0092111 0.0121040 0.0152103), wk = 0.0037175 k( 108) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037175 k( 109) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037175 k( 110) = ( 0.0172414 0.0131207 0.0000000), wk = 0.0037175 k( 111) = ( 0.0344828 0.0262414 0.0000000), wk = 0.0037175 k( 112) = ( 0.0517241 0.0393621 0.0000000), wk = 0.0037175 k( 113) = ( 0.0689655 0.0524828 0.0000000), wk = 0.0037175 k( 114) = ( 0.0862069 0.0656035 0.0000000), wk = 0.0037175 k( 115) = ( 0.1034483 0.0787242 0.0000000), wk = 0.0037175 k( 116) = ( 0.1206897 0.0918448 0.0000000), wk = 0.0037175 k( 117) = ( 0.1379310 0.1049655 0.0000000), wk = 0.0037175 k( 118) = ( 0.1551724 0.1180862 0.0000000), wk = 0.0037175 k( 119) = ( 0.1724138 0.1312069 0.0000000), wk = 0.0037175 k( 120) = ( 0.1896552 0.1443276 0.0000000), wk = 0.0037175 k( 121) = ( 0.2068966 0.1574483 0.0000000), wk = 0.0037175 k( 122) = ( 0.2241379 0.1705690 0.0000000), wk = 0.0037175 k( 123) = ( 0.2413793 0.1836897 0.0000000), wk = 0.0037175 k( 124) = ( 0.2586207 0.1968104 0.0000000), wk = 0.0037175 k( 125) = ( 0.2758621 0.2099311 0.0000000), wk = 0.0037175 k( 126) = ( 0.2931034 0.2230518 0.0000000), wk = 0.0037175 k( 127) = ( 0.3103448 0.2361725 0.0000000), wk = 0.0037175 k( 128) = ( 0.3275862 0.2492932 0.0000000), wk = 0.0037175 k( 129) = ( 0.3448276 0.2624138 0.0000000), wk = 0.0037175 k( 130) = ( 0.3620690 0.2755345 0.0000000), wk = 0.0037175 k( 131) = ( 0.3793103 0.2886552 0.0000000), wk = 0.0037175 k( 132) = ( 0.3965517 0.3017759 0.0000000), wk = 0.0037175 k( 133) = ( 0.4137931 0.3148966 0.0000000), wk = 0.0037175 k( 134) = ( 0.4310345 0.3280173 0.0000000), wk = 0.0037175 k( 135) = ( 0.4482759 0.3411380 0.0000000), wk = 0.0037175 k( 136) = ( 0.4655172 0.3542587 0.0000000), wk = 0.0037175 k( 137) = ( 0.4827586 0.3673794 0.0000000), wk = 0.0037175 k( 138) = ( 0.5000000 0.3805001 0.0000000), wk = 0.0037175 k( 139) = ( 0.5000000 0.3805001 0.0000000), wk = 0.0037175 k( 140) = ( 0.4911195 0.3921696 0.0146643), wk = 0.0037175 k( 141) = ( 0.4822390 0.4038391 0.0293285), wk = 0.0037175 k( 142) = ( 0.4733585 0.4155086 0.0439928), wk = 0.0037175 k( 143) = ( 0.4644780 0.4271781 0.0586570), wk = 0.0037175 k( 144) = ( 0.4555975 0.4388476 0.0733213), wk = 0.0037175 k( 145) = ( 0.4467171 0.4505171 0.0879855), wk = 0.0037175 k( 146) = ( 0.4378365 0.4621866 0.1026498), wk = 0.0037175 k( 147) = ( 0.4289561 0.4738561 0.1173141), wk = 0.0037175 k( 148) = ( 0.4200756 0.4855256 0.1319783), wk = 0.0037175 k( 149) = ( 0.4111951 0.4971951 0.1466426), wk = 0.0037175 k( 150) = ( 0.4023146 0.5088646 0.1613068), wk = 0.0037175 k( 151) = ( 0.3934341 0.5205341 0.1759711), wk = 0.0037175 k( 152) = ( 0.3845536 0.5322036 0.1906353), wk = 0.0037175 k( 153) = ( 0.3756731 0.5438731 0.2052996), wk = 0.0037175 k( 154) = ( 0.3667926 0.5555426 0.2199639), wk = 0.0037175 k( 155) = ( 0.3579121 0.5672121 0.2346281), wk = 0.0037175 k( 156) = ( 0.3490316 0.5788816 0.2492924), wk = 0.0037175 k( 157) = ( 0.3401511 0.5905511 0.2639566), wk = 0.0037175 k( 158) = ( 0.3312706 0.6022206 0.2786209), wk = 0.0037175 k( 159) = ( 0.3223901 0.6138901 0.2932851), wk = 0.0037175 k( 160) = ( 0.3223901 0.6138901 0.2932851), wk = 0.0037175 k( 161) = ( 0.3034260 0.6082945 0.3003167), wk = 0.0037175 k( 162) = ( 0.2844619 0.6026989 0.3073483), wk = 0.0037175 k( 163) = ( 0.2654978 0.5971033 0.3143799), wk = 0.0037175 k( 164) = ( 0.2465336 0.5915078 0.3214115), wk = 0.0037175 k( 165) = ( 0.2275695 0.5859122 0.3284431), wk = 0.0037175 k( 166) = ( 0.2086054 0.5803166 0.3354747), wk = 0.0037175 k( 167) = ( 0.1896413 0.5747210 0.3425063), wk = 0.0037175 k( 168) = ( 0.1706771 0.5691254 0.3495378), wk = 0.0037175 k( 169) = ( 0.1517130 0.5635298 0.3565694), wk = 0.0037175 k( 170) = ( 0.1327489 0.5579342 0.3636010), wk = 0.0037175 k( 171) = ( 0.1137848 0.5523386 0.3706326), wk = 0.0037175 k( 172) = ( 0.0948206 0.5467430 0.3776642), wk = 0.0037175 k( 173) = ( 0.0758565 0.5411474 0.3846958), wk = 0.0037175 k( 174) = ( 0.0568924 0.5355518 0.3917274), wk = 0.0037175 k( 175) = ( 0.0379282 0.5299563 0.3987590), wk = 0.0037175 k( 176) = ( 0.0189641 0.5243607 0.4057906), wk = 0.0037175 k( 177) = ( 0.0000000 0.5187651 0.4128222), wk = 0.0037175 k( 178) = ( 0.0000000 0.5187651 0.4128222), wk = 0.0037175 k( 179) = ( 0.0092593 0.5065979 0.4281119), wk = 0.0037175 k( 180) = ( 0.0185185 0.4944306 0.4434016), wk = 0.0037175 k( 181) = ( 0.0277778 0.4822634 0.4586913), wk = 0.0037175 k( 182) = ( 0.0370370 0.4700962 0.4739810), wk = 0.0037175 k( 183) = ( 0.0462963 0.4579290 0.4892707), wk = 0.0037175 k( 184) = ( 0.0555556 0.4457617 0.5045604), wk = 0.0037175 k( 185) = ( 0.0648148 0.4335945 0.5198501), wk = 0.0037175 k( 186) = ( 0.0740741 0.4214273 0.5351398), wk = 0.0037175 k( 187) = ( 0.0833333 0.4092601 0.5504295), wk = 0.0037175 k( 188) = ( 0.0925926 0.3970928 0.5657193), wk = 0.0037175 k( 189) = ( 0.1018518 0.3849256 0.5810090), wk = 0.0037175 k( 190) = ( 0.1111111 0.3727584 0.5962987), wk = 0.0037175 k( 191) = ( 0.1203704 0.3605912 0.6115884), wk = 0.0037175 k( 192) = ( 0.1296296 0.3484239 0.6268781), wk = 0.0037175 k( 193) = ( 0.1388889 0.3362567 0.6421678), wk = 0.0037175 k( 194) = ( 0.1481482 0.3240895 0.6574575), wk = 0.0037175 k( 195) = ( 0.1574074 0.3119223 0.6727472), wk = 0.0037175 k( 196) = ( 0.1666667 0.2997550 0.6880369), wk = 0.0037175 k( 197) = ( 0.1759259 0.2875878 0.7033267), wk = 0.0037175 k( 198) = ( 0.1851852 0.2754206 0.7186164), wk = 0.0037175 k( 199) = ( 0.1944444 0.2632534 0.7339061), wk = 0.0037175 k( 200) = ( 0.2037037 0.2510862 0.7491958), wk = 0.0037175 k( 201) = ( 0.2129630 0.2389189 0.7644855), wk = 0.0037175 k( 202) = ( 0.2222222 0.2267517 0.7797752), wk = 0.0037175 k( 203) = ( 0.2314815 0.2145845 0.7950649), wk = 0.0037175 k( 204) = ( 0.2407407 0.2024173 0.8103546), wk = 0.0037175 k( 205) = ( 0.2500000 0.1902500 0.8256443), wk = 0.0037175 k( 206) = ( 0.2500000 0.1902500 0.8256443), wk = 0.0037175 k( 207) = ( 0.2631579 0.2002632 0.8130615), wk = 0.0037175 k( 208) = ( 0.2763158 0.2102764 0.8004786), wk = 0.0037175 k( 209) = ( 0.2894737 0.2202895 0.7878958), wk = 0.0037175 k( 210) = ( 0.3026316 0.2303027 0.7753130), wk = 0.0037175 k( 211) = ( 0.3157895 0.2403158 0.7627301), wk = 0.0037175 k( 212) = ( 0.3289474 0.2503290 0.7501473), wk = 0.0037175 k( 213) = ( 0.3421053 0.2603421 0.7375644), wk = 0.0037175 k( 214) = ( 0.3552632 0.2703553 0.7249816), wk = 0.0037175 k( 215) = ( 0.3684211 0.2803685 0.7123987), wk = 0.0037175 k( 216) = ( 0.3815789 0.2903816 0.6998159), wk = 0.0037175 k( 217) = ( 0.3947368 0.3003948 0.6872330), wk = 0.0037175 k( 218) = ( 0.4078947 0.3104080 0.6746502), wk = 0.0037175 k( 219) = ( 0.4210526 0.3204211 0.6620673), wk = 0.0037175 k( 220) = ( 0.4342105 0.3304343 0.6494845), wk = 0.0037175 k( 221) = ( 0.4473684 0.3404474 0.6369016), wk = 0.0037175 k( 222) = ( 0.4605263 0.3504606 0.6243188), wk = 0.0037175 k( 223) = ( 0.4736842 0.3604737 0.6117360), wk = 0.0037175 k( 224) = ( 0.4868421 0.3704869 0.5991531), wk = 0.0037175 k( 225) = ( 0.5000000 0.3805001 0.5865703), wk = 0.0037175 k( 226) = ( 0.5000000 0.3805001 0.5865703), wk = 0.0037175 k( 227) = ( 0.5000000 0.3805001 0.5648454), wk = 0.0037175 k( 228) = ( 0.5000000 0.3805001 0.5431206), wk = 0.0037175 k( 229) = ( 0.5000000 0.3805001 0.5213958), wk = 0.0037175 k( 230) = ( 0.5000000 0.3805001 0.4996710), wk = 0.0037175 k( 231) = ( 0.5000000 0.3805001 0.4779461), wk = 0.0037175 k( 232) = ( 0.5000000 0.3805001 0.4562213), wk = 0.0037175 k( 233) = ( 0.5000000 0.3805001 0.4344965), wk = 0.0037175 k( 234) = ( 0.5000000 0.3805001 0.4127717), wk = 0.0037175 k( 235) = ( 0.5000000 0.3805001 0.3910468), wk = 0.0037175 k( 236) = ( 0.5000000 0.3805001 0.3693220), wk = 0.0037175 k( 237) = ( 0.5000000 0.3805001 0.3475972), wk = 0.0037175 k( 238) = ( 0.5000000 0.3805001 0.3258724), wk = 0.0037175 k( 239) = ( 0.5000000 0.3805001 0.3041475), wk = 0.0037175 k( 240) = ( 0.5000000 0.3805001 0.2824227), wk = 0.0037175 k( 241) = ( 0.5000000 0.3805001 0.2606979), wk = 0.0037175 k( 242) = ( 0.5000000 0.3805001 0.2389731), wk = 0.0037175 k( 243) = ( 0.5000000 0.3805001 0.2172482), wk = 0.0037175 k( 244) = ( 0.5000000 0.3805001 0.1955234), wk = 0.0037175 k( 245) = ( 0.5000000 0.3805001 0.1737986), wk = 0.0037175 k( 246) = ( 0.5000000 0.3805001 0.1520738), wk = 0.0037175 k( 247) = ( 0.5000000 0.3805001 0.1303489), wk = 0.0037175 k( 248) = ( 0.5000000 0.3805001 0.1086241), wk = 0.0037175 k( 249) = ( 0.5000000 0.3805001 0.0868993), wk = 0.0037175 k( 250) = ( 0.5000000 0.3805001 0.0651745), wk = 0.0037175 k( 251) = ( 0.5000000 0.3805001 0.0434496), wk = 0.0037175 k( 252) = ( 0.5000000 0.3805001 0.0217248), wk = 0.0037175 k( 253) = ( 0.5000000 0.3805001 0.0000000), wk = 0.0037175 k( 254) = ( 0.0000000 0.0000000 0.8256443), wk = 0.0037175 k( 255) = ( 0.0166667 0.0126833 0.8256443), wk = 0.0037175 k( 256) = ( 0.0333333 0.0253667 0.8256443), wk = 0.0037175 k( 257) = ( 0.0500000 0.0380500 0.8256443), wk = 0.0037175 k( 258) = ( 0.0666667 0.0507333 0.8256443), wk = 0.0037175 k( 259) = ( 0.0833333 0.0634167 0.8256443), wk = 0.0037175 k( 260) = ( 0.1000000 0.0761000 0.8256443), wk = 0.0037175 k( 261) = ( 0.1166667 0.0887834 0.8256443), wk = 0.0037175 k( 262) = ( 0.1333333 0.1014667 0.8256443), wk = 0.0037175 k( 263) = ( 0.1500000 0.1141500 0.8256443), wk = 0.0037175 k( 264) = ( 0.1666667 0.1268334 0.8256443), wk = 0.0037175 k( 265) = ( 0.1833333 0.1395167 0.8256443), wk = 0.0037175 k( 266) = ( 0.2000000 0.1522000 0.8256443), wk = 0.0037175 k( 267) = ( 0.2166667 0.1648834 0.8256443), wk = 0.0037175 k( 268) = ( 0.2333333 0.1775667 0.8256443), wk = 0.0037175 k( 269) = ( 0.2500000 0.1902500 0.8256443), wk = 0.0037175 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037175 k( 2) = ( 0.0000000 0.0000000 0.0131579), wk = 0.0037175 k( 3) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0037175 k( 4) = ( 0.0000000 0.0000000 0.0394737), wk = 0.0037175 k( 5) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0037175 k( 6) = ( 0.0000000 0.0000000 0.0657895), wk = 0.0037175 k( 7) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0037175 k( 8) = ( 0.0000000 0.0000000 0.0921053), wk = 0.0037175 k( 9) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0037175 k( 10) = ( 0.0000000 0.0000000 0.1184210), wk = 0.0037175 k( 11) = ( 0.0000000 0.0000000 0.1315790), wk = 0.0037175 k( 12) = ( 0.0000000 0.0000000 0.1447368), wk = 0.0037175 k( 13) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0037175 k( 14) = ( 0.0000000 0.0000000 0.1710526), wk = 0.0037175 k( 15) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0037175 k( 16) = ( 0.0000000 0.0000000 0.1973684), wk = 0.0037175 k( 17) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0037175 k( 18) = ( 0.0000000 0.0000000 0.2236842), wk = 0.0037175 k( 19) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0037175 k( 20) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0037175 k( 21) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0037175 k( 22) = ( 0.0000000 0.0000000 0.2763158), wk = 0.0037175 k( 23) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0037175 k( 24) = ( 0.0000000 0.0000000 0.3026316), wk = 0.0037175 k( 25) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0037175 k( 26) = ( 0.0000000 0.0000000 0.3289474), wk = 0.0037175 k( 27) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0037175 k( 28) = ( 0.0000000 0.0000000 0.3552632), wk = 0.0037175 k( 29) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0037175 k( 30) = ( 0.0000000 0.0000000 0.3815789), wk = 0.0037175 k( 31) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0037175 k( 32) = ( 0.0000000 0.0000000 0.4078947), wk = 0.0037175 k( 33) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0037175 k( 34) = ( 0.0000000 0.0000000 0.4342105), wk = 0.0037175 k( 35) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0037175 k( 36) = ( 0.0000000 0.0000000 0.4605263), wk = 0.0037175 k( 37) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0037175 k( 38) = ( 0.0000000 0.0000000 0.4868421), wk = 0.0037175 k( 39) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037175 k( 40) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037175 k( 41) = ( -0.0131618 0.0131618 0.5000000), wk = 0.0037175 k( 42) = ( -0.0263237 0.0263237 0.5000000), wk = 0.0037175 k( 43) = ( -0.0394855 0.0394855 0.5000000), wk = 0.0037175 k( 44) = ( -0.0526474 0.0526474 0.5000000), wk = 0.0037175 k( 45) = ( -0.0658092 0.0658092 0.5000000), wk = 0.0037175 k( 46) = ( -0.0789711 0.0789711 0.5000000), wk = 0.0037175 k( 47) = ( -0.0921329 0.0921329 0.5000000), wk = 0.0037175 k( 48) = ( -0.1052948 0.1052948 0.5000000), wk = 0.0037175 k( 49) = ( -0.1184566 0.1184566 0.5000000), wk = 0.0037175 k( 50) = ( -0.1316185 0.1316185 0.5000000), wk = 0.0037175 k( 51) = ( -0.1447803 0.1447803 0.5000000), wk = 0.0037175 k( 52) = ( -0.1447803 0.1447803 0.5000000), wk = 0.0037175 k( 53) = ( -0.1536608 0.1536608 0.4911195), wk = 0.0037175 k( 54) = ( -0.1625413 0.1625413 0.4822390), wk = 0.0037175 k( 55) = ( -0.1714218 0.1714218 0.4733585), wk = 0.0037175 k( 56) = ( -0.1803023 0.1803023 0.4644780), wk = 0.0037175 k( 57) = ( -0.1891828 0.1891828 0.4555975), wk = 0.0037175 k( 58) = ( -0.1980633 0.1980633 0.4467171), wk = 0.0037175 k( 59) = ( -0.2069438 0.2069438 0.4378365), wk = 0.0037175 k( 60) = ( -0.2158242 0.2158242 0.4289561), wk = 0.0037175 k( 61) = ( -0.2247047 0.2247047 0.4200756), wk = 0.0037175 k( 62) = ( -0.2335852 0.2335852 0.4111951), wk = 0.0037175 k( 63) = ( -0.2424657 0.2424657 0.4023146), wk = 0.0037175 k( 64) = ( -0.2513462 0.2513462 0.3934341), wk = 0.0037175 k( 65) = ( -0.2602267 0.2602267 0.3845536), wk = 0.0037175 k( 66) = ( -0.2691072 0.2691072 0.3756731), wk = 0.0037175 k( 67) = ( -0.2779877 0.2779877 0.3667926), wk = 0.0037175 k( 68) = ( -0.2868682 0.2868682 0.3579121), wk = 0.0037175 k( 69) = ( -0.2957487 0.2957487 0.3490316), wk = 0.0037175 k( 70) = ( -0.3046292 0.3046292 0.3401511), wk = 0.0037175 k( 71) = ( -0.3135097 0.3135097 0.3312706), wk = 0.0037175 k( 72) = ( -0.3223901 0.3223901 0.3223902), wk = 0.0037175 k( 73) = ( -0.3223901 0.3223901 0.3223902), wk = 0.0037175 k( 74) = ( -0.3131790 0.3131790 0.3131790), wk = 0.0037175 k( 75) = ( -0.3039679 0.3039679 0.3039679), wk = 0.0037175 k( 76) = ( -0.2947567 0.2947567 0.2947567), wk = 0.0037175 k( 77) = ( -0.2855456 0.2855456 0.2855456), wk = 0.0037175 k( 78) = ( -0.2763344 0.2763344 0.2763344), wk = 0.0037175 k( 79) = ( -0.2671233 0.2671233 0.2671233), wk = 0.0037175 k( 80) = ( -0.2579121 0.2579121 0.2579121), wk = 0.0037175 k( 81) = ( -0.2487010 0.2487010 0.2487010), wk = 0.0037175 k( 82) = ( -0.2394898 0.2394898 0.2394898), wk = 0.0037175 k( 83) = ( -0.2302787 0.2302787 0.2302787), wk = 0.0037175 k( 84) = ( -0.2210675 0.2210675 0.2210675), wk = 0.0037175 k( 85) = ( -0.2118564 0.2118564 0.2118564), wk = 0.0037175 k( 86) = ( -0.2026452 0.2026452 0.2026452), wk = 0.0037175 k( 87) = ( -0.1934341 0.1934341 0.1934341), wk = 0.0037175 k( 88) = ( -0.1842229 0.1842229 0.1842229), wk = 0.0037175 k( 89) = ( -0.1750118 0.1750118 0.1750118), wk = 0.0037175 k( 90) = ( -0.1658006 0.1658006 0.1658006), wk = 0.0037175 k( 91) = ( -0.1565895 0.1565895 0.1565895), wk = 0.0037175 k( 92) = ( -0.1473783 0.1473783 0.1473783), wk = 0.0037175 k( 93) = ( -0.1381672 0.1381672 0.1381672), wk = 0.0037175 k( 94) = ( -0.1289561 0.1289561 0.1289561), wk = 0.0037175 k( 95) = ( -0.1197449 0.1197449 0.1197449), wk = 0.0037175 k( 96) = ( -0.1105338 0.1105338 0.1105338), wk = 0.0037175 k( 97) = ( -0.1013226 0.1013226 0.1013226), wk = 0.0037175 k( 98) = ( -0.0921115 0.0921115 0.0921115), wk = 0.0037175 k( 99) = ( -0.0829003 0.0829003 0.0829003), wk = 0.0037175 k( 100) = ( -0.0736892 0.0736892 0.0736892), wk = 0.0037175 k( 101) = ( -0.0644780 0.0644780 0.0644780), wk = 0.0037175 k( 102) = ( -0.0552669 0.0552669 0.0552669), wk = 0.0037175 k( 103) = ( -0.0460557 0.0460557 0.0460557), wk = 0.0037175 k( 104) = ( -0.0368446 0.0368446 0.0368446), wk = 0.0037175 k( 105) = ( -0.0276334 0.0276334 0.0276334), wk = 0.0037175 k( 106) = ( -0.0184223 0.0184223 0.0184223), wk = 0.0037175 k( 107) = ( -0.0092111 0.0092111 0.0092112), wk = 0.0037175 k( 108) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037175 k( 109) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037175 k( 110) = ( 0.0172414 0.0172414 -0.0172414), wk = 0.0037175 k( 111) = ( 0.0344828 0.0344828 -0.0344828), wk = 0.0037175 k( 112) = ( 0.0517241 0.0517241 -0.0517241), wk = 0.0037175 k( 113) = ( 0.0689655 0.0689655 -0.0689655), wk = 0.0037175 k( 114) = ( 0.0862069 0.0862069 -0.0862069), wk = 0.0037175 k( 115) = ( 0.1034483 0.1034483 -0.1034483), wk = 0.0037175 k( 116) = ( 0.1206897 0.1206897 -0.1206897), wk = 0.0037175 k( 117) = ( 0.1379310 0.1379310 -0.1379310), wk = 0.0037175 k( 118) = ( 0.1551724 0.1551724 -0.1551724), wk = 0.0037175 k( 119) = ( 0.1724138 0.1724138 -0.1724138), wk = 0.0037175 k( 120) = ( 0.1896552 0.1896552 -0.1896552), wk = 0.0037175 k( 121) = ( 0.2068966 0.2068966 -0.2068966), wk = 0.0037175 k( 122) = ( 0.2241379 0.2241379 -0.2241379), wk = 0.0037175 k( 123) = ( 0.2413793 0.2413793 -0.2413793), wk = 0.0037175 k( 124) = ( 0.2586207 0.2586207 -0.2586207), wk = 0.0037175 k( 125) = ( 0.2758621 0.2758621 -0.2758621), wk = 0.0037175 k( 126) = ( 0.2931034 0.2931034 -0.2931035), wk = 0.0037175 k( 127) = ( 0.3103448 0.3103448 -0.3103448), wk = 0.0037175 k( 128) = ( 0.3275862 0.3275862 -0.3275862), wk = 0.0037175 k( 129) = ( 0.3448276 0.3448276 -0.3448276), wk = 0.0037175 k( 130) = ( 0.3620690 0.3620690 -0.3620690), wk = 0.0037175 k( 131) = ( 0.3793103 0.3793103 -0.3793103), wk = 0.0037175 k( 132) = ( 0.3965517 0.3965517 -0.3965517), wk = 0.0037175 k( 133) = ( 0.4137931 0.4137931 -0.4137931), wk = 0.0037175 k( 134) = ( 0.4310345 0.4310345 -0.4310345), wk = 0.0037175 k( 135) = ( 0.4482759 0.4482759 -0.4482759), wk = 0.0037175 k( 136) = ( 0.4655172 0.4655172 -0.4655172), wk = 0.0037175 k( 137) = ( 0.4827586 0.4827586 -0.4827586), wk = 0.0037175 k( 138) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0037175 k( 139) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0037175 k( 140) = ( 0.4911195 0.5088805 -0.4911195), wk = 0.0037175 k( 141) = ( 0.4822390 0.5177610 -0.4822390), wk = 0.0037175 k( 142) = ( 0.4733585 0.5266415 -0.4733585), wk = 0.0037175 k( 143) = ( 0.4644780 0.5355220 -0.4644780), wk = 0.0037175 k( 144) = ( 0.4555975 0.5444025 -0.4555975), wk = 0.0037175 k( 145) = ( 0.4467171 0.5532829 -0.4467170), wk = 0.0037175 k( 146) = ( 0.4378365 0.5621634 -0.4378365), wk = 0.0037175 k( 147) = ( 0.4289561 0.5710439 -0.4289561), wk = 0.0037175 k( 148) = ( 0.4200756 0.5799244 -0.4200756), wk = 0.0037175 k( 149) = ( 0.4111951 0.5888049 -0.4111951), wk = 0.0037175 k( 150) = ( 0.4023146 0.5976854 -0.4023146), wk = 0.0037175 k( 151) = ( 0.3934341 0.6065659 -0.3934341), wk = 0.0037175 k( 152) = ( 0.3845536 0.6154464 -0.3845536), wk = 0.0037175 k( 153) = ( 0.3756731 0.6243269 -0.3756731), wk = 0.0037175 k( 154) = ( 0.3667926 0.6332074 -0.3667926), wk = 0.0037175 k( 155) = ( 0.3579121 0.6420879 -0.3579121), wk = 0.0037175 k( 156) = ( 0.3490316 0.6509684 -0.3490316), wk = 0.0037175 k( 157) = ( 0.3401511 0.6598489 -0.3401511), wk = 0.0037175 k( 158) = ( 0.3312706 0.6687294 -0.3312706), wk = 0.0037175 k( 159) = ( 0.3223901 0.6776098 -0.3223901), wk = 0.0037175 k( 160) = ( 0.3223901 0.6776098 -0.3223901), wk = 0.0037175 k( 161) = ( 0.3034260 0.6671622 -0.3034260), wk = 0.0037175 k( 162) = ( 0.2844619 0.6567146 -0.2844619), wk = 0.0037175 k( 163) = ( 0.2654978 0.6462669 -0.2654978), wk = 0.0037175 k( 164) = ( 0.2465336 0.6358193 -0.2465336), wk = 0.0037175 k( 165) = ( 0.2275695 0.6253717 -0.2275695), wk = 0.0037175 k( 166) = ( 0.2086054 0.6149240 -0.2086054), wk = 0.0037175 k( 167) = ( 0.1896413 0.6044764 -0.1896413), wk = 0.0037175 k( 168) = ( 0.1706771 0.5940287 -0.1706771), wk = 0.0037175 k( 169) = ( 0.1517130 0.5835811 -0.1517130), wk = 0.0037175 k( 170) = ( 0.1327489 0.5731335 -0.1327489), wk = 0.0037175 k( 171) = ( 0.1137848 0.5626858 -0.1137848), wk = 0.0037175 k( 172) = ( 0.0948206 0.5522382 -0.0948206), wk = 0.0037175 k( 173) = ( 0.0758565 0.5417905 -0.0758565), wk = 0.0037175 k( 174) = ( 0.0568924 0.5313429 -0.0568924), wk = 0.0037175 k( 175) = ( 0.0379282 0.5208953 -0.0379283), wk = 0.0037175 k( 176) = ( 0.0189641 0.5104476 -0.0189641), wk = 0.0037175 k( 177) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0037175 k( 178) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0037175 k( 179) = ( 0.0092593 0.4907407 0.0092593), wk = 0.0037175 k( 180) = ( 0.0185185 0.4814815 0.0185185), wk = 0.0037175 k( 181) = ( 0.0277778 0.4722222 0.0277778), wk = 0.0037175 k( 182) = ( 0.0370370 0.4629630 0.0370370), wk = 0.0037175 k( 183) = ( 0.0462963 0.4537037 0.0462963), wk = 0.0037175 k( 184) = ( 0.0555556 0.4444444 0.0555556), wk = 0.0037175 k( 185) = ( 0.0648148 0.4351852 0.0648148), wk = 0.0037175 k( 186) = ( 0.0740741 0.4259259 0.0740741), wk = 0.0037175 k( 187) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0037175 k( 188) = ( 0.0925926 0.4074074 0.0925926), wk = 0.0037175 k( 189) = ( 0.1018518 0.3981481 0.1018519), wk = 0.0037175 k( 190) = ( 0.1111111 0.3888889 0.1111111), wk = 0.0037175 k( 191) = ( 0.1203704 0.3796296 0.1203704), wk = 0.0037175 k( 192) = ( 0.1296296 0.3703704 0.1296296), wk = 0.0037175 k( 193) = ( 0.1388889 0.3611111 0.1388889), wk = 0.0037175 k( 194) = ( 0.1481482 0.3518518 0.1481481), wk = 0.0037175 k( 195) = ( 0.1574074 0.3425926 0.1574074), wk = 0.0037175 k( 196) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0037175 k( 197) = ( 0.1759259 0.3240741 0.1759259), wk = 0.0037175 k( 198) = ( 0.1851852 0.3148148 0.1851852), wk = 0.0037175 k( 199) = ( 0.1944444 0.3055556 0.1944444), wk = 0.0037175 k( 200) = ( 0.2037037 0.2962963 0.2037037), wk = 0.0037175 k( 201) = ( 0.2129630 0.2870370 0.2129630), wk = 0.0037175 k( 202) = ( 0.2222222 0.2777778 0.2222222), wk = 0.0037175 k( 203) = ( 0.2314815 0.2685185 0.2314815), wk = 0.0037175 k( 204) = ( 0.2407407 0.2592593 0.2407407), wk = 0.0037175 k( 205) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0037175 k( 206) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0037175 k( 207) = ( 0.2631579 0.2631579 0.2292221), wk = 0.0037175 k( 208) = ( 0.2763158 0.2763158 0.2084442), wk = 0.0037175 k( 209) = ( 0.2894737 0.2894737 0.1876663), wk = 0.0037175 k( 210) = ( 0.3026316 0.3026316 0.1668884), wk = 0.0037175 k( 211) = ( 0.3157895 0.3157895 0.1461105), wk = 0.0037175 k( 212) = ( 0.3289474 0.3289474 0.1253325), wk = 0.0037175 k( 213) = ( 0.3421053 0.3421053 0.1045546), wk = 0.0037175 k( 214) = ( 0.3552632 0.3552632 0.0837767), wk = 0.0037175 k( 215) = ( 0.3684211 0.3684211 0.0629988), wk = 0.0037175 k( 216) = ( 0.3815789 0.3815790 0.0422209), wk = 0.0037175 k( 217) = ( 0.3947368 0.3947368 0.0214430), wk = 0.0037175 k( 218) = ( 0.4078947 0.4078947 0.0006651), wk = 0.0037175 k( 219) = ( 0.4210526 0.4210526 -0.0201128), wk = 0.0037175 k( 220) = ( 0.4342105 0.4342105 -0.0408908), wk = 0.0037175 k( 221) = ( 0.4473684 0.4473684 -0.0616687), wk = 0.0037175 k( 222) = ( 0.4605263 0.4605263 -0.0824466), wk = 0.0037175 k( 223) = ( 0.4736842 0.4736842 -0.1032245), wk = 0.0037175 k( 224) = ( 0.4868421 0.4868421 -0.1240024), wk = 0.0037175 k( 225) = ( 0.5000000 0.5000000 -0.1447803), wk = 0.0037175 k( 226) = ( 0.5000000 0.5000000 -0.1447803), wk = 0.0037175 k( 227) = ( 0.5000000 0.5000000 -0.1579366), wk = 0.0037175 k( 228) = ( 0.5000000 0.5000000 -0.1710929), wk = 0.0037175 k( 229) = ( 0.5000000 0.5000000 -0.1842492), wk = 0.0037175 k( 230) = ( 0.5000000 0.5000000 -0.1974054), wk = 0.0037175 k( 231) = ( 0.5000000 0.5000000 -0.2105617), wk = 0.0037175 k( 232) = ( 0.5000000 0.5000000 -0.2237180), wk = 0.0037175 k( 233) = ( 0.5000000 0.5000000 -0.2368743), wk = 0.0037175 k( 234) = ( 0.5000000 0.5000000 -0.2500306), wk = 0.0037175 k( 235) = ( 0.5000000 0.5000000 -0.2631869), wk = 0.0037175 k( 236) = ( 0.5000000 0.5000000 -0.2763431), wk = 0.0037175 k( 237) = ( 0.5000000 0.5000000 -0.2894994), wk = 0.0037175 k( 238) = ( 0.5000000 0.5000000 -0.3026557), wk = 0.0037175 k( 239) = ( 0.5000000 0.5000000 -0.3158120), wk = 0.0037175 k( 240) = ( 0.5000000 0.5000000 -0.3289683), wk = 0.0037175 k( 241) = ( 0.5000000 0.5000000 -0.3421246), wk = 0.0037175 k( 242) = ( 0.5000000 0.5000000 -0.3552809), wk = 0.0037175 k( 243) = ( 0.5000000 0.5000000 -0.3684371), wk = 0.0037175 k( 244) = ( 0.5000000 0.5000000 -0.3815934), wk = 0.0037175 k( 245) = ( 0.5000000 0.5000000 -0.3947497), wk = 0.0037175 k( 246) = ( 0.5000000 0.5000000 -0.4079060), wk = 0.0037175 k( 247) = ( 0.5000000 0.5000000 -0.4210623), wk = 0.0037175 k( 248) = ( 0.5000000 0.5000000 -0.4342186), wk = 0.0037175 k( 249) = ( 0.5000000 0.5000000 -0.4473749), wk = 0.0037175 k( 250) = ( 0.5000000 0.5000000 -0.4605311), wk = 0.0037175 k( 251) = ( 0.5000000 0.5000000 -0.4736874), wk = 0.0037175 k( 252) = ( 0.5000000 0.5000000 -0.4868437), wk = 0.0037175 k( 253) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0037175 k( 254) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037175 k( 255) = ( 0.0166667 0.0166667 0.4833333), wk = 0.0037175 k( 256) = ( 0.0333333 0.0333333 0.4666667), wk = 0.0037175 k( 257) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0037175 k( 258) = ( 0.0666667 0.0666667 0.4333333), wk = 0.0037175 k( 259) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0037175 k( 260) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0037175 k( 261) = ( 0.1166667 0.1166667 0.3833333), wk = 0.0037175 k( 262) = ( 0.1333333 0.1333333 0.3666667), wk = 0.0037175 k( 263) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0037175 k( 264) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0037175 k( 265) = ( 0.1833333 0.1833333 0.3166667), wk = 0.0037175 k( 266) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0037175 k( 267) = ( 0.2166667 0.2166667 0.2833333), wk = 0.0037175 k( 268) = ( 0.2333333 0.2333333 0.2666667), wk = 0.0037175 k( 269) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0037175 Dense grid: 344199 G-vectors FFT dimensions: ( 108, 108, 108) Smooth grid: 39973 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.17 Mb ( 224, 50) NL pseudopotentials 0.22 Mb ( 112, 130) Each V/rho on FFT grid 0.53 Mb ( 34992) Each G-vector array 0.05 Mb ( 7171) G-vector shells 0.03 Mb ( 3296) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.68 Mb ( 224, 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 46.3 secs Computing kpt #: 2 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 52.0 secs Computing kpt #: 3 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 58.4 secs Computing kpt #: 4 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 64.1 secs Computing kpt #: 5 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 69.5 secs Computing kpt #: 6 total cpu time spent up to now is 74.3 secs Computing kpt #: 7 total cpu time spent up to now is 78.2 secs Computing kpt #: 8 total cpu time spent up to now is 82.1 secs Computing kpt #: 9 total cpu time spent up to now is 85.6 secs Computing kpt #: 10 total cpu time spent up to now is 89.0 secs Computing kpt #: 11 total cpu time spent up to now is 92.4 secs Computing kpt #: 12 total cpu time spent up to now is 95.8 secs Computing kpt #: 13 total cpu time spent up to now is 99.1 secs Computing kpt #: 14 total cpu time spent up to now is 102.3 secs Computing kpt #: 15 total cpu time spent up to now is 105.6 secs Computing kpt #: 16 total cpu time spent up to now is 108.9 secs Computing kpt #: 17 total cpu time spent up to now is 112.2 secs Computing kpt #: 18 total cpu time spent up to now is 115.3 secs Computing kpt #: 19 total cpu time spent up to now is 118.6 secs Computing kpt #: 20 total cpu time spent up to now is 122.0 secs Computing kpt #: 21 total cpu time spent up to now is 125.3 secs Computing kpt #: 22 total cpu time spent up to now is 128.6 secs Computing kpt #: 23 total cpu time spent up to now is 131.9 secs Computing kpt #: 24 total cpu time spent up to now is 135.3 secs Computing kpt #: 25 total cpu time spent up to now is 138.8 secs Computing kpt #: 26 total cpu time spent up to now is 142.2 secs Computing kpt #: 27 total cpu time spent up to now is 145.5 secs Computing kpt #: 28 total cpu time spent up to now is 148.6 secs Computing kpt #: 29 total cpu time spent up to now is 151.7 secs Computing kpt #: 30 total cpu time spent up to now is 155.0 secs Computing kpt #: 31 total cpu time spent up to now is 158.3 secs Computing kpt #: 32 total cpu time spent up to now is 161.7 secs Computing kpt #: 33 total cpu time spent up to now is 165.0 secs Computing kpt #: 34 total cpu time spent up to now is 168.4 secs Computing kpt #: 35 total cpu time spent up to now is 171.9 secs Computing kpt #: 36 total cpu time spent up to now is 175.2 secs Computing kpt #: 37 total cpu time spent up to now is 178.5 secs Computing kpt #: 38 total cpu time spent up to now is 181.8 secs Computing kpt #: 39 total cpu time spent up to now is 185.1 secs Computing kpt #: 40 total cpu time spent up to now is 188.4 secs Computing kpt #: 41 total cpu time spent up to now is 191.8 secs Computing kpt #: 42 total cpu time spent up to now is 195.2 secs Computing kpt #: 43 total cpu time spent up to now is 198.7 secs Computing kpt #: 44 total cpu time spent up to now is 202.2 secs Computing kpt #: 45 total cpu time spent up to now is 205.7 secs Computing kpt #: 46 total cpu time spent up to now is 209.2 secs Computing kpt #: 47 total cpu time spent up to now is 212.8 secs Computing kpt #: 48 total cpu time spent up to now is 216.5 secs Computing kpt #: 49 total cpu time spent up to now is 220.1 secs Computing kpt #: 50 total cpu time spent up to now is 223.7 secs Computing kpt #: 51 total cpu time spent up to now is 227.4 secs Computing kpt #: 52 total cpu time spent up to now is 230.9 secs Computing kpt #: 53 total cpu time spent up to now is 234.4 secs Computing kpt #: 54 total cpu time spent up to now is 237.9 secs Computing kpt #: 55 total cpu time spent up to now is 241.3 secs Computing kpt #: 56 total cpu time spent up to now is 244.6 secs Computing kpt #: 57 total cpu time spent up to now is 247.7 secs Computing kpt #: 58 total cpu time spent up to now is 250.9 secs Computing kpt #: 59 total cpu time spent up to now is 254.0 secs Computing kpt #: 60 total cpu time spent up to now is 257.1 secs Computing kpt #: 61 total cpu time spent up to now is 260.2 secs Computing kpt #: 62 total cpu time spent up to now is 263.4 secs Computing kpt #: 63 total cpu time spent up to now is 266.5 secs Computing kpt #: 64 total cpu time spent up to now is 269.6 secs Computing kpt #: 65 total cpu time spent up to now is 272.7 secs Computing kpt #: 66 total cpu time spent up to now is 275.8 secs Computing kpt #: 67 total cpu time spent up to now is 278.9 secs Computing kpt #: 68 total cpu time spent up to now is 282.0 secs Computing kpt #: 69 total cpu time spent up to now is 285.2 secs Computing kpt #: 70 total cpu time spent up to now is 288.4 secs Computing kpt #: 71 total cpu time spent up to now is 291.6 secs Computing kpt #: 72 total cpu time spent up to now is 294.7 secs Computing kpt #: 73 total cpu time spent up to now is 298.2 secs Computing kpt #: 74 total cpu time spent up to now is 301.4 secs Computing kpt #: 75 total cpu time spent up to now is 304.6 secs Computing kpt #: 76 total cpu time spent up to now is 307.7 secs Computing kpt #: 77 total cpu time spent up to now is 310.9 secs Computing kpt #: 78 total cpu time spent up to now is 314.0 secs Computing kpt #: 79 total cpu time spent up to now is 317.1 secs Computing kpt #: 80 total cpu time spent up to now is 320.2 secs Computing kpt #: 81 total cpu time spent up to now is 323.3 secs Computing kpt #: 82 total cpu time spent up to now is 326.5 secs Computing kpt #: 83 total cpu time spent up to now is 329.6 secs Computing kpt #: 84 total cpu time spent up to now is 333.0 secs Computing kpt #: 85 total cpu time spent up to now is 336.4 secs Computing kpt #: 86 total cpu time spent up to now is 339.8 secs Computing kpt #: 87 total cpu time spent up to now is 343.2 secs Computing kpt #: 88 total cpu time spent up to now is 346.8 secs Computing kpt #: 89 total cpu time spent up to now is 350.2 secs Computing kpt #: 90 total cpu time spent up to now is 353.7 secs Computing kpt #: 91 total cpu time spent up to now is 357.5 secs Computing kpt #: 92 total cpu time spent up to now is 362.0 secs Computing kpt #: 93 total cpu time spent up to now is 366.6 secs Computing kpt #: 94 total cpu time spent up to now is 369.9 secs Computing kpt #: 95 total cpu time spent up to now is 373.2 secs Computing kpt #: 96 total cpu time spent up to now is 376.5 secs Computing kpt #: 97 total cpu time spent up to now is 379.8 secs Computing kpt #: 98 total cpu time spent up to now is 383.2 secs Computing kpt #: 99 total cpu time spent up to now is 386.6 secs Computing kpt #: 100 total cpu time spent up to now is 390.6 secs Computing kpt #: 101 total cpu time spent up to now is 394.5 secs Computing kpt #: 102 total cpu time spent up to now is 398.3 secs Computing kpt #: 103 total cpu time spent up to now is 403.5 secs Computing kpt #: 104 total cpu time spent up to now is 408.7 secs Computing kpt #: 105 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 414.3 secs Computing kpt #: 106 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 419.9 secs Computing kpt #: 107 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 425.5 secs Computing kpt #: 108 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 430.9 secs Computing kpt #: 109 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 436.5 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 442.0 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 447.5 secs Computing kpt #: 112 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 453.1 secs Computing kpt #: 113 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 458.5 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 463.9 secs Computing kpt #: 115 total cpu time spent up to now is 468.2 secs Computing kpt #: 116 total cpu time spent up to now is 472.3 secs Computing kpt #: 117 total cpu time spent up to now is 475.9 secs Computing kpt #: 118 total cpu time spent up to now is 479.3 secs Computing kpt #: 119 total cpu time spent up to now is 482.8 secs Computing kpt #: 120 total cpu time spent up to now is 486.3 secs Computing kpt #: 121 total cpu time spent up to now is 489.7 secs Computing kpt #: 122 total cpu time spent up to now is 493.2 secs Computing kpt #: 123 total cpu time spent up to now is 496.5 secs Computing kpt #: 124 total cpu time spent up to now is 499.9 secs Computing kpt #: 125 total cpu time spent up to now is 503.4 secs Computing kpt #: 126 total cpu time spent up to now is 506.8 secs Computing kpt #: 127 total cpu time spent up to now is 510.2 secs Computing kpt #: 128 total cpu time spent up to now is 513.5 secs Computing kpt #: 129 total cpu time spent up to now is 516.6 secs Computing kpt #: 130 total cpu time spent up to now is 520.0 secs Computing kpt #: 131 total cpu time spent up to now is 523.4 secs Computing kpt #: 132 total cpu time spent up to now is 527.3 secs Computing kpt #: 133 total cpu time spent up to now is 530.4 secs Computing kpt #: 134 total cpu time spent up to now is 533.9 secs Computing kpt #: 135 total cpu time spent up to now is 537.1 secs Computing kpt #: 136 total cpu time spent up to now is 540.3 secs Computing kpt #: 137 total cpu time spent up to now is 543.4 secs Computing kpt #: 138 total cpu time spent up to now is 546.4 secs Computing kpt #: 139 total cpu time spent up to now is 549.4 secs Computing kpt #: 140 total cpu time spent up to now is 552.5 secs Computing kpt #: 141 total cpu time spent up to now is 555.6 secs Computing kpt #: 142 total cpu time spent up to now is 559.0 secs Computing kpt #: 143 total cpu time spent up to now is 562.4 secs Computing kpt #: 144 total cpu time spent up to now is 565.7 secs Computing kpt #: 145 total cpu time spent up to now is 568.9 secs Computing kpt #: 146 total cpu time spent up to now is 572.2 secs Computing kpt #: 147 total cpu time spent up to now is 575.5 secs Computing kpt #: 148 total cpu time spent up to now is 578.9 secs Computing kpt #: 149 total cpu time spent up to now is 582.1 secs Computing kpt #: 150 total cpu time spent up to now is 585.3 secs Computing kpt #: 151 total cpu time spent up to now is 588.5 secs Computing kpt #: 152 total cpu time spent up to now is 591.9 secs Computing kpt #: 153 total cpu time spent up to now is 595.0 secs Computing kpt #: 154 total cpu time spent up to now is 598.1 secs Computing kpt #: 155 total cpu time spent up to now is 601.5 secs Computing kpt #: 156 total cpu time spent up to now is 604.6 secs Computing kpt #: 157 total cpu time spent up to now is 607.7 secs Computing kpt #: 158 total cpu time spent up to now is 610.9 secs Computing kpt #: 159 total cpu time spent up to now is 614.0 secs Computing kpt #: 160 total cpu time spent up to now is 617.1 secs Computing kpt #: 161 total cpu time spent up to now is 620.2 secs Computing kpt #: 162 total cpu time spent up to now is 623.3 secs Computing kpt #: 163 total cpu time spent up to now is 626.4 secs Computing kpt #: 164 total cpu time spent up to now is 629.5 secs Computing kpt #: 165 total cpu time spent up to now is 632.5 secs Computing kpt #: 166 total cpu time spent up to now is 635.5 secs Computing kpt #: 167 total cpu time spent up to now is 638.5 secs Computing kpt #: 168 total cpu time spent up to now is 641.5 secs Computing kpt #: 169 total cpu time spent up to now is 644.7 secs Computing kpt #: 170 total cpu time spent up to now is 647.7 secs Computing kpt #: 171 total cpu time spent up to now is 650.7 secs Computing kpt #: 172 total cpu time spent up to now is 653.7 secs Computing kpt #: 173 total cpu time spent up to now is 656.7 secs Computing kpt #: 174 total cpu time spent up to now is 660.6 secs Computing kpt #: 175 total cpu time spent up to now is 664.0 secs Computing kpt #: 176 total cpu time spent up to now is 667.0 secs Computing kpt #: 177 total cpu time spent up to now is 670.1 secs Computing kpt #: 178 total cpu time spent up to now is 673.1 secs Computing kpt #: 179 total cpu time spent up to now is 676.2 secs Computing kpt #: 180 total cpu time spent up to now is 679.3 secs Computing kpt #: 181 total cpu time spent up to now is 682.5 secs Computing kpt #: 182 total cpu time spent up to now is 685.7 secs Computing kpt #: 183 total cpu time spent up to now is 689.2 secs Computing kpt #: 184 total cpu time spent up to now is 692.4 secs Computing kpt #: 185 total cpu time spent up to now is 695.8 secs Computing kpt #: 186 total cpu time spent up to now is 699.3 secs Computing kpt #: 187 total cpu time spent up to now is 702.7 secs Computing kpt #: 188 total cpu time spent up to now is 706.2 secs Computing kpt #: 189 total cpu time spent up to now is 709.7 secs Computing kpt #: 190 total cpu time spent up to now is 713.1 secs Computing kpt #: 191 total cpu time spent up to now is 716.6 secs Computing kpt #: 192 total cpu time spent up to now is 720.2 secs Computing kpt #: 193 total cpu time spent up to now is 723.7 secs Computing kpt #: 194 total cpu time spent up to now is 727.1 secs Computing kpt #: 195 total cpu time spent up to now is 730.9 secs Computing kpt #: 196 total cpu time spent up to now is 734.4 secs Computing kpt #: 197 total cpu time spent up to now is 738.0 secs Computing kpt #: 198 total cpu time spent up to now is 741.7 secs Computing kpt #: 199 total cpu time spent up to now is 745.3 secs Computing kpt #: 200 total cpu time spent up to now is 748.9 secs Computing kpt #: 201 total cpu time spent up to now is 752.4 secs Computing kpt #: 202 total cpu time spent up to now is 755.9 secs Computing kpt #: 203 total cpu time spent up to now is 759.4 secs Computing kpt #: 204 total cpu time spent up to now is 762.8 secs Computing kpt #: 205 total cpu time spent up to now is 766.3 secs Computing kpt #: 206 total cpu time spent up to now is 769.7 secs Computing kpt #: 207 total cpu time spent up to now is 773.4 secs Computing kpt #: 208 total cpu time spent up to now is 776.9 secs Computing kpt #: 209 total cpu time spent up to now is 780.4 secs Computing kpt #: 210 total cpu time spent up to now is 783.9 secs Computing kpt #: 211 total cpu time spent up to now is 787.4 secs Computing kpt #: 212 total cpu time spent up to now is 791.0 secs Computing kpt #: 213 total cpu time spent up to now is 794.4 secs Computing kpt #: 214 total cpu time spent up to now is 798.2 secs Computing kpt #: 215 total cpu time spent up to now is 801.8 secs Computing kpt #: 216 total cpu time spent up to now is 805.5 secs Computing kpt #: 217 total cpu time spent up to now is 809.6 secs Computing kpt #: 218 total cpu time spent up to now is 813.6 secs Computing kpt #: 219 total cpu time spent up to now is 817.3 secs Computing kpt #: 220 total cpu time spent up to now is 821.2 secs Computing kpt #: 221 total cpu time spent up to now is 824.9 secs Computing kpt #: 222 total cpu time spent up to now is 828.5 secs Computing kpt #: 223 total cpu time spent up to now is 832.1 secs Computing kpt #: 224 total cpu time spent up to now is 835.6 secs Computing kpt #: 225 total cpu time spent up to now is 839.2 secs Computing kpt #: 226 total cpu time spent up to now is 842.8 secs Computing kpt #: 227 total cpu time spent up to now is 846.4 secs Computing kpt #: 228 total cpu time spent up to now is 849.9 secs Computing kpt #: 229 total cpu time spent up to now is 853.1 secs Computing kpt #: 230 total cpu time spent up to now is 856.6 secs Computing kpt #: 231 total cpu time spent up to now is 860.1 secs Computing kpt #: 232 total cpu time spent up to now is 863.5 secs Computing kpt #: 233 total cpu time spent up to now is 866.9 secs Computing kpt #: 234 total cpu time spent up to now is 870.3 secs Computing kpt #: 235 total cpu time spent up to now is 873.8 secs Computing kpt #: 236 total cpu time spent up to now is 877.2 secs Computing kpt #: 237 total cpu time spent up to now is 880.6 secs Computing kpt #: 238 total cpu time spent up to now is 883.7 secs Computing kpt #: 239 total cpu time spent up to now is 887.8 secs Computing kpt #: 240 total cpu time spent up to now is 891.8 secs Computing kpt #: 241 total cpu time spent up to now is 895.3 secs Computing kpt #: 242 total cpu time spent up to now is 899.4 secs Computing kpt #: 243 total cpu time spent up to now is 903.7 secs Computing kpt #: 244 total cpu time spent up to now is 907.8 secs Computing kpt #: 245 total cpu time spent up to now is 912.6 secs Computing kpt #: 246 total cpu time spent up to now is 916.7 secs Computing kpt #: 247 total cpu time spent up to now is 920.6 secs Computing kpt #: 248 total cpu time spent up to now is 924.2 secs Computing kpt #: 249 total cpu time spent up to now is 927.5 secs Computing kpt #: 250 total cpu time spent up to now is 930.9 secs Computing kpt #: 251 total cpu time spent up to now is 934.1 secs Computing kpt #: 252 total cpu time spent up to now is 937.1 secs Computing kpt #: 253 total cpu time spent up to now is 940.2 secs Computing kpt #: 254 total cpu time spent up to now is 943.4 secs Computing kpt #: 255 total cpu time spent up to now is 946.8 secs Computing kpt #: 256 total cpu time spent up to now is 950.2 secs Computing kpt #: 257 total cpu time spent up to now is 953.5 secs Computing kpt #: 258 total cpu time spent up to now is 956.8 secs Computing kpt #: 259 total cpu time spent up to now is 961.2 secs Computing kpt #: 260 total cpu time spent up to now is 964.8 secs Computing kpt #: 261 total cpu time spent up to now is 968.2 secs Computing kpt #: 262 total cpu time spent up to now is 971.7 secs Computing kpt #: 263 total cpu time spent up to now is 975.2 secs Computing kpt #: 264 total cpu time spent up to now is 978.6 secs Computing kpt #: 265 total cpu time spent up to now is 982.2 secs Computing kpt #: 266 total cpu time spent up to now is 985.6 secs Computing kpt #: 267 total cpu time spent up to now is 989.0 secs Computing kpt #: 268 total cpu time spent up to now is 992.4 secs Computing kpt #: 269 total cpu time spent up to now is 995.8 secs ethr = 2.38E-11, avg # of iterations = 50.0 total cpu time spent up to now is 996.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4981 PWs) bands (ev): -8.8268 -8.8268 -7.7449 -7.7449 -7.7446 -7.7446 -7.6676 -7.6676 -3.9356 -3.9356 -3.9236 -3.9236 -3.2767 -3.2767 -3.2690 -3.2690 -3.2483 -3.2483 -1.4529 -1.4529 -0.0964 -0.0964 0.7780 0.7780 0.9198 0.9198 1.0022 1.0022 1.3410 1.3410 1.7729 1.7729 2.4912 2.4912 2.5757 2.5757 3.4757 3.4757 3.8311 3.8311 3.8670 3.8670 5.8093 5.8093 6.9524 6.9524 7.6648 7.6648 9.2649 9.2660 k = 0.0000 0.0000 0.0217 ( 4989 PWs) bands (ev): -8.8261 -8.8261 -7.7454 -7.7454 -7.7450 -7.7450 -7.6676 -7.6675 -3.9358 -3.9356 -3.9237 -3.9233 -3.2770 -3.2765 -3.2703 -3.2678 -3.2493 -3.2473 -1.4527 -1.4521 -0.1011 -0.0934 0.7644 0.7846 0.9084 0.9359 0.9899 1.0179 1.3335 1.3537 1.7719 1.7733 2.4882 2.4948 2.5743 2.5771 3.4686 3.4779 3.8249 3.8315 3.8624 3.8628 5.8176 5.8195 6.9556 6.9562 7.6662 7.6705 9.2464 9.2590 k = 0.0000 0.0000 0.0435 ( 4993 PWs) bands (ev): -8.8242 -8.8242 -7.7470 -7.7469 -7.7461 -7.7460 -7.6676 -7.6675 -3.9362 -3.9358 -3.9237 -3.9230 -3.2773 -3.2764 -3.2715 -3.2667 -3.2503 -3.2464 -1.4516 -1.4505 -0.1072 -0.0921 0.7476 0.7841 0.8976 0.9565 0.9807 1.0388 1.3319 1.3708 1.7704 1.7730 2.4854 2.4992 2.5730 2.5788 3.4557 3.4753 3.8091 3.8254 3.8508 3.8545 5.8437 5.8474 6.9657 6.9669 7.6747 7.6833 9.2111 9.2436 k = 0.0000 0.0000 0.0652 ( 4993 PWs) bands (ev): -8.8209 -8.8209 -7.7496 -7.7495 -7.7479 -7.7477 -7.6677 -7.6675 -3.9369 -3.9362 -3.9236 -3.9227 -3.2777 -3.2767 -3.2725 -3.2658 -3.2513 -3.2456 -1.4495 -1.4481 -0.1150 -0.0931 0.7315 0.7795 0.8848 0.9587 0.9944 1.0648 1.3363 1.3913 1.7681 1.7716 2.4822 2.5037 2.5731 2.5820 3.4361 3.4678 3.7799 3.8076 3.8397 3.8478 5.8863 5.8913 6.9823 6.9843 7.6903 7.7032 9.1685 9.2147 k = 0.0000 0.0000 0.0869 ( 4991 PWs) bands (ev): -8.8163 -8.8163 -7.7532 -7.7531 -7.7503 -7.7501 -7.6678 -7.6676 -3.9378 -3.9367 -3.9233 -3.9224 -3.2783 -3.2773 -3.2731 -3.2651 -3.2522 -3.2449 -1.4467 -1.4449 -0.1248 -0.0967 0.7190 0.7747 0.8694 0.9443 1.0259 1.0945 1.3464 1.4142 1.7645 1.7689 2.4782 2.5072 2.5764 2.5880 3.4082 3.4544 3.7399 3.7794 3.8316 3.8425 5.9430 5.9488 7.0050 7.0078 7.7132 7.7303 9.1210 9.1740 k = 0.0000 0.0000 0.1086 ( 4985 PWs) bands (ev): -8.8105 -8.8105 -7.7578 -7.7577 -7.7533 -7.7530 -7.6681 -7.6678 -3.9388 -3.9373 -3.9229 -3.9221 -3.2794 -3.2779 -3.2734 -3.2647 -3.2527 -3.2442 -1.4430 -1.4409 -0.1367 -0.1035 0.7122 0.7725 0.8520 0.9268 1.0597 1.1262 1.3616 1.4389 1.7594 1.7643 2.4738 2.5089 2.5845 2.5973 3.3711 3.4338 3.6943 3.7471 3.8239 3.8373 6.0111 6.0172 7.0330 7.0368 7.7432 7.7646 9.0706 9.1260 k = 0.0000 0.0000 0.1304 ( 4987 PWs) bands (ev): -8.8034 -8.8033 -7.7633 -7.7631 -7.7570 -7.7566 -7.6685 -7.6682 -3.9400 -3.9380 -3.9226 -3.9218 -3.2808 -3.2785 -3.2735 -3.2647 -3.2529 -3.2436 -1.4385 -1.4363 -0.1510 -0.1140 0.7122 0.7744 0.8337 0.9080 1.0925 1.1581 1.3813 1.4647 1.7526 1.7577 2.4703 2.5094 2.5977 2.6098 3.3240 3.4041 3.6481 3.7148 3.8156 3.8315 6.0880 6.0939 7.0657 7.0707 7.7805 7.8060 9.0183 9.0740 k = 0.0000 0.0000 0.1521 ( 4987 PWs) bands (ev): -8.7950 -8.7950 -7.7695 -7.7693 -7.7612 -7.7608 -7.6692 -7.6689 -3.9414 -3.9387 -3.9225 -3.9213 -3.2825 -3.2792 -3.2736 -3.2648 -3.2527 -3.2431 -1.4334 -1.4312 -0.1681 -0.1284 0.7197 0.7808 0.8154 0.8897 1.1223 1.1884 1.4052 1.4911 1.7447 1.7493 2.4690 2.5101 2.6151 2.6249 3.2679 3.3643 3.6052 3.6843 3.8065 3.8248 6.1711 6.1762 7.1025 7.1086 7.8248 7.8543 8.9653 9.0204 k = 0.0000 0.0000 0.1738 ( 4991 PWs) bands (ev): -8.7854 -8.7854 -7.7766 -7.7763 -7.7659 -7.7655 -7.6701 -7.6698 -3.9427 -3.9394 -3.9226 -3.9206 -3.2842 -3.2801 -3.2738 -3.2651 -3.2523 -3.2426 -1.4277 -1.4257 -0.1879 -0.1469 0.7339 0.7897 0.7995 0.8745 1.1470 1.2152 1.4328 1.5173 1.7367 1.7401 2.4709 2.5122 2.6356 2.6415 3.2045 3.3151 3.5678 3.6558 3.7965 3.8171 6.2581 6.2620 7.1424 7.1498 7.8756 7.9091 8.9121 8.9664 k = 0.0000 0.0000 0.1955 ( 4987 PWs) bands (ev): -8.7746 -8.7746 -7.7843 -7.7840 -7.7711 -7.7707 -7.6714 -7.6710 -3.9441 -3.9402 -3.9228 -3.9199 -3.2860 -3.2813 -3.2738 -3.2653 -3.2516 -3.2422 -1.4216 -1.4197 -0.2104 -0.1692 0.7490 0.7889 0.7995 0.8682 1.1646 1.2359 1.4637 1.5429 1.7294 1.7334 2.4767 2.5162 2.6578 2.6585 3.1369 3.2598 3.5351 3.6290 3.7860 3.8086 6.3470 6.3494 7.1850 7.1936 7.9322 7.9694 8.8595 8.9131 k = 0.0000 0.0000 0.2173 ( 4975 PWs) bands (ev): -8.7626 -8.7626 -7.7927 -7.7923 -7.7768 -7.7763 -7.6730 -7.6725 -3.9455 -3.9409 -3.9232 -3.9192 -3.2877 -3.2828 -3.2738 -3.2654 -3.2507 -3.2417 -1.4151 -1.4135 -0.2354 -0.1950 0.7477 0.7956 0.8077 0.8790 1.1737 1.2481 1.4971 1.5672 1.7226 1.7339 2.4864 2.5220 2.6740 2.6803 3.0686 3.2032 3.5057 3.6028 3.7750 3.7994 6.4360 6.4368 7.2296 7.2392 7.9933 8.0338 8.8082 8.8617 k = 0.0000 0.0000 0.2390 ( 4979 PWs) bands (ev): -8.7495 -8.7495 -7.8017 -7.8012 -7.7828 -7.7823 -7.6749 -7.6744 -3.9469 -3.9418 -3.9236 -3.9184 -3.2893 -3.2846 -3.2737 -3.2654 -3.2498 -3.2413 -1.4084 -1.4069 -0.2627 -0.2237 0.7361 0.7858 0.8431 0.9046 1.1734 1.2497 1.5318 1.5908 1.7197 1.7429 2.4994 2.5283 2.6866 2.7004 3.0046 3.1504 3.4781 3.5766 3.7637 3.7896 6.5227 6.5240 7.2757 7.2859 8.0570 8.1001 8.7589 8.8132 k = 0.0000 0.0000 0.2607 ( 4983 PWs) bands (ev): -8.7353 -8.7353 -7.8112 -7.8107 -7.7893 -7.7887 -7.6773 -7.6767 -3.9481 -3.9426 -3.9241 -3.9177 -3.2909 -3.2867 -3.2735 -3.2653 -3.2489 -3.2409 -1.4017 -1.4000 -0.2919 -0.2549 0.7239 0.7730 0.8871 0.9377 1.1643 1.2409 1.5662 1.6145 1.7230 1.7603 2.5141 2.5330 2.6941 2.7141 2.9523 3.1060 3.4515 3.5500 3.7524 3.7794 6.6064 6.6095 7.3226 7.3331 8.1203 8.1649 8.7133 8.7698 k = 0.0000 0.0000 0.2825 ( 4979 PWs) bands (ev): -8.7200 -8.7200 -7.8212 -7.8206 -7.7959 -7.7954 -7.6801 -7.6794 -3.9493 -3.9435 -3.9247 -3.9170 -3.2923 -3.2889 -3.2731 -3.2652 -3.2479 -3.2405 -1.3950 -1.3928 -0.3227 -0.2879 0.7131 0.7603 0.9348 0.9718 1.1494 1.2257 1.5986 1.6391 1.7343 1.7842 2.5280 2.5326 2.6937 2.7192 2.9214 3.0733 3.4258 3.5226 3.7412 3.7689 6.6871 6.6920 7.3699 7.3802 8.1788 8.2226 8.6740 8.7349 k = 0.0000 0.0000 0.3042 ( 4981 PWs) bands (ev): -8.7037 -8.7037 -7.8316 -7.8311 -7.8029 -7.8023 -7.6833 -7.6826 -3.9504 -3.9444 -3.9252 -3.9163 -3.2935 -3.2911 -3.2726 -3.2651 -3.2470 -3.2400 -1.3883 -1.3854 -0.3548 -0.3223 0.7043 0.7486 0.9780 0.9975 1.1372 1.2144 1.6277 1.6634 1.7545 1.8117 2.5238 2.5358 2.6831 2.7228 2.9156 3.0531 3.4016 3.4945 3.7303 3.7584 6.7644 6.7708 7.4166 7.4266 8.2254 8.2649 8.6458 8.7141 k = 0.0000 0.0000 0.3259 ( 4985 PWs) bands (ev): -8.6865 -8.6864 -7.8424 -7.8419 -7.8100 -7.8094 -7.6870 -7.6862 -3.9514 -3.9454 -3.9258 -3.9157 -3.2946 -3.2933 -3.2721 -3.2650 -3.2461 -3.2396 -1.3817 -1.3778 -0.3877 -0.3576 0.6975 0.7380 0.9937 1.0057 1.1469 1.2228 1.6528 1.6858 1.7830 1.8403 2.5059 2.5303 2.6745 2.7319 2.9273 3.0426 3.3801 3.4663 3.7198 3.7480 6.8381 6.8458 7.4621 7.4717 8.2509 8.2828 8.6357 8.7135 k = 0.0000 0.0000 0.3476 ( 4991 PWs) bands (ev): -8.6683 -8.6682 -7.8536 -7.8530 -7.8172 -7.8166 -7.6912 -7.6903 -3.9523 -3.9463 -3.9264 -3.9152 -3.2957 -3.2953 -3.2715 -3.2649 -3.2452 -3.2392 -1.3750 -1.3702 -0.4213 -0.3934 0.6922 0.7283 0.9724 0.9905 1.1909 1.2575 1.6723 1.7060 1.8171 1.8677 2.4824 2.5112 2.6795 2.7465 2.9471 3.0370 3.3633 3.4387 3.7097 3.7377 6.9081 6.9169 7.5052 7.5151 8.2486 8.2722 8.6473 8.7339 k = 0.0000 0.0000 0.3694 ( 4983 PWs) bands (ev): -8.6492 -8.6492 -7.8651 -7.8645 -7.8245 -7.8239 -7.6959 -7.6949 -3.9531 -3.9473 -3.9269 -3.9147 -3.2977 -3.2962 -3.2709 -3.2649 -3.2445 -3.2388 -1.3682 -1.3624 -0.4552 -0.4295 0.6867 0.7189 0.9336 0.9595 1.2546 1.3098 1.6850 1.7236 1.8541 1.8927 2.4596 2.4890 2.6947 2.7651 2.9686 3.0321 3.3531 3.4127 3.7002 3.7278 6.9745 6.9841 7.5451 7.5563 8.2199 8.2379 8.6756 8.7681 k = 0.0000 0.0000 0.3911 ( 4999 PWs) bands (ev): -8.6294 -8.6293 -7.8768 -7.8763 -7.8318 -7.8311 -7.7010 -7.7000 -3.9537 -3.9482 -3.9275 -3.9144 -3.2997 -3.2967 -3.2703 -3.2649 -3.2438 -3.2384 -1.3613 -1.3545 -0.4891 -0.4656 0.6770 0.7104 0.8870 0.9276 1.3259 1.3709 1.6903 1.7360 1.8919 1.9154 2.4437 2.4728 2.7138 2.7858 2.9861 3.0265 3.3512 3.3899 3.6914 3.7184 7.0370 7.0474 7.5808 7.5945 8.1719 8.1872 8.7105 8.8055 k = 0.0000 0.0000 0.4128 ( 4995 PWs) bands (ev): -8.6087 -8.6087 -7.8888 -7.8883 -7.8390 -7.8384 -7.7067 -7.7056 -3.9542 -3.9491 -3.9280 -3.9141 -3.3016 -3.2970 -3.2696 -3.2650 -3.2432 -3.2380 -1.3541 -1.3465 -0.5230 -0.5014 0.6574 0.7018 0.8406 0.9027 1.3990 1.4345 1.6897 1.7405 1.9294 1.9385 2.4392 2.4668 2.7331 2.8069 2.9897 3.0273 3.3578 3.3719 3.6833 3.7095 7.0956 7.1068 7.6119 7.6288 8.1110 8.1254 8.7434 8.8380 k = 0.0000 0.0000 0.4345 ( 4999 PWs) bands (ev): -8.5875 -8.5874 -7.9009 -7.9005 -7.8461 -7.8455 -7.7128 -7.7117 -3.9546 -3.9499 -3.9285 -3.9139 -3.3033 -3.2972 -3.2691 -3.2651 -3.2427 -3.2377 -1.3467 -1.3382 -0.5565 -0.5367 0.6264 0.6843 0.8057 0.8886 1.4669 1.4944 1.6884 1.7376 1.9615 1.9700 2.4469 2.4719 2.7502 2.8268 2.9778 3.0363 3.3604 3.3717 3.6761 3.7015 7.1496 7.1620 7.6378 7.6583 8.0418 8.0560 8.7692 8.8609 k = 0.0000 0.0000 0.4563 ( 4991 PWs) bands (ev): -8.5656 -8.5654 -7.9133 -7.9129 -7.8531 -7.8524 -7.7193 -7.7182 -3.9549 -3.9507 -3.9290 -3.9139 -3.3048 -3.2971 -3.2687 -3.2651 -3.2423 -3.2374 -1.3389 -1.3296 -0.5895 -0.5714 0.5858 0.6481 0.7929 0.8854 1.5136 1.5418 1.7000 1.7359 1.9916 2.0092 2.4652 2.4865 2.7628 2.8439 2.9629 3.0445 3.3566 3.3910 3.6699 3.6944 7.1981 7.2121 7.6579 7.6822 7.9680 7.9818 8.7857 8.8731 k = 0.0000 0.0000 0.4780 ( 4995 PWs) bands (ev): -8.5431 -8.5430 -7.9258 -7.9255 -7.8598 -7.8592 -7.7263 -7.7252 -3.9550 -3.9513 -3.9295 -3.9139 -3.3061 -3.2969 -3.2686 -3.2650 -3.2420 -3.2372 -1.3307 -1.3207 -0.6220 -0.6053 0.5388 0.5974 0.7979 0.8913 1.5216 1.5623 1.7382 1.7541 2.0256 2.0515 2.4903 2.5083 2.7692 2.8569 2.9533 3.0500 3.3601 3.4139 3.6648 3.6883 7.2386 7.2553 7.6717 7.6993 7.8935 7.9061 8.7935 8.8761 k = 0.0000 0.0000 0.4997 ( 5011 PWs) bands (ev): -8.5202 -8.5201 -7.9385 -7.9382 -7.8663 -7.8656 -7.7338 -7.7327 -3.9550 -3.9518 -3.9300 -3.9141 -3.3072 -3.2966 -3.2688 -3.2647 -3.2418 -3.2370 -1.3218 -1.3114 -0.6536 -0.6383 0.4882 0.5410 0.8125 0.9045 1.5010 1.5500 1.7853 1.8064 2.0636 2.0983 2.5165 2.5354 2.7686 2.8666 2.9533 3.0541 3.3698 3.4386 3.6610 3.6835 7.2670 7.2880 7.6785 7.7084 7.8233 7.8356 8.7951 8.8730 k = 0.0000 0.0000 0.5215 ( 5021 PWs) bands (ev): -8.4969 -8.4967 -7.9513 -7.9511 -7.8724 -7.8718 -7.7415 -7.7404 -3.9550 -3.9521 -3.9304 -3.9145 -3.3081 -3.2960 -3.2693 -3.2643 -3.2417 -3.2368 -1.3123 -1.3015 -0.6845 -0.6703 0.4359 0.4830 0.8329 0.9234 1.4674 1.5191 1.8318 1.8716 2.1056 2.1509 2.5392 2.5652 2.7642 2.8757 2.9617 3.0590 3.3837 3.4641 3.6585 3.6800 7.2765 7.3038 7.6775 7.7068 7.7631 7.7825 8.7933 8.8665 k = 0.0000 0.0000 0.5432 ( 5020 PWs) bands (ev): -8.4733 -8.4731 -7.9642 -7.9641 -7.8782 -7.8776 -7.7496 -7.7485 -3.9549 -3.9522 -3.9309 -3.9150 -3.3087 -3.2954 -3.2700 -3.2639 -3.2417 -3.2368 -1.3020 -1.2910 -0.7144 -0.7013 0.3835 0.4253 0.8572 0.9470 1.4281 1.4812 1.8740 1.9318 2.1522 2.2089 2.5582 2.5920 2.7634 2.8862 2.9758 3.0671 3.4000 3.4894 3.6573 3.6781 7.2592 7.2937 7.6684 7.6938 7.7238 7.7561 8.7906 8.8591 k = 0.0000 0.0000 0.5649 ( 5014 PWs) bands (ev): -8.4495 -8.4493 -7.9774 -7.9773 -7.8836 -7.8830 -7.7579 -7.7569 -3.9548 -3.9522 -3.9314 -3.9156 -3.3091 -3.2946 -3.2709 -3.2635 -3.2418 -3.2367 -1.2909 -1.2799 -0.7434 -0.7312 0.3319 0.3689 0.8845 0.9745 1.3870 1.4415 1.9078 1.9793 2.2041 2.2698 2.5759 2.6120 2.7724 2.8971 2.9938 3.0804 3.4171 3.5137 3.6573 3.6777 7.2123 7.2521 7.6549 7.6770 7.7129 7.7484 8.7890 8.8525 k = 0.0000 0.0000 0.5866 ( 5014 PWs) bands (ev): -8.4256 -8.4254 -7.9907 -7.9906 -7.8885 -7.8879 -7.7664 -7.7654 -3.9545 -3.9519 -3.9319 -3.9164 -3.3093 -3.2938 -3.2720 -3.2632 -3.2419 -3.2368 -1.2790 -1.2681 -0.7713 -0.7599 0.2819 0.3146 0.9139 1.0052 1.3459 1.4031 1.9317 2.0103 2.2589 2.3291 2.5974 2.6283 2.7906 2.9063 3.0149 3.1010 3.4339 3.5365 3.6585 3.6790 7.1420 7.1838 7.6401 7.6583 7.7245 7.7531 8.7899 8.8480 k = 0.0000 0.0000 0.6084 ( 4996 PWs) bands (ev): -8.4017 -8.4014 -8.0043 -8.0041 -7.8929 -7.8923 -7.7749 -7.7739 -3.9543 -3.9515 -3.9324 -3.9174 -3.3092 -3.2929 -3.2731 -3.2630 -3.2421 -3.2369 -1.2662 -1.2557 -0.7982 -0.7875 0.2342 0.2630 0.9445 1.0388 1.3061 1.3677 1.9449 2.0242 2.3120 2.3812 2.6292 2.6487 2.8114 2.9127 3.0392 3.1296 3.4496 3.5571 3.6605 3.6818 7.0577 7.0992 7.6198 7.6360 7.7492 7.7700 8.7939 8.8463 k = 0.0000 0.0000 0.6301 ( 5004 PWs) bands (ev): -8.3779 -8.3775 -8.0182 -8.0179 -7.8969 -7.8963 -7.7833 -7.7824 -3.9539 -3.9510 -3.9329 -3.9184 -3.3089 -3.2921 -3.2742 -3.2630 -3.2422 -3.2370 -1.2526 -1.2426 -0.8240 -0.8139 0.1892 0.2144 0.9752 1.0746 1.2685 1.3371 1.9474 2.0224 2.3595 2.4225 2.6740 2.6798 2.8284 2.9168 3.0676 3.1650 3.4637 3.5751 3.6633 3.6859 6.9669 7.0067 7.5936 7.6091 7.7804 7.7960 8.8012 8.8477 k = 0.0000 0.0000 0.6518 ( 5014 PWs) bands (ev): -8.3542 -8.3538 -8.0323 -8.0319 -7.9003 -7.8997 -7.7916 -7.7907 -3.9535 -3.9503 -3.9333 -3.9196 -3.3083 -3.2913 -3.2753 -3.2632 -3.2423 -3.2372 -1.2383 -1.2289 -0.8485 -0.8391 0.1476 0.1693 1.0045 1.1120 1.2339 1.3131 1.9398 2.0071 2.4007 2.4546 2.7161 2.7340 2.8382 2.9207 3.1005 3.2045 3.4759 3.5899 3.6668 3.6910 6.8748 6.9122 7.5637 7.5785 7.8142 7.8265 8.8116 8.8521 k = 0.0000 0.0000 0.6736 ( 5018 PWs) bands (ev): -8.3308 -8.3304 -8.0468 -8.0463 -7.9032 -7.9027 -7.7994 -7.7986 -3.9529 -3.9497 -3.9337 -3.9210 -3.3076 -3.2908 -3.2761 -3.2636 -3.2424 -3.2375 -1.2234 -1.2148 -0.8718 -0.8630 0.1096 0.1283 1.0303 1.1495 1.2034 1.2975 1.9232 1.9814 2.4371 2.4813 2.7551 2.7973 2.8409 2.9289 3.1373 3.2452 3.4863 3.6011 3.6710 3.6964 6.7851 6.8196 7.5322 7.5458 7.8482 7.8584 8.8245 8.8590 k = 0.0000 0.0000 0.6953 ( 5004 PWs) bands (ev): -8.3079 -8.3074 -8.0616 -8.0610 -7.9056 -7.9051 -7.8068 -7.8060 -3.9523 -3.9490 -3.9340 -3.9224 -3.3066 -3.2906 -3.2767 -3.2643 -3.2423 -3.2378 -1.2082 -1.2004 -0.8938 -0.8856 0.0758 0.0915 1.0502 1.1666 1.1975 1.2925 1.8996 1.9484 2.4708 2.5060 2.7831 2.8326 2.8658 2.9479 3.1762 3.2844 3.4954 3.6085 3.6758 3.7016 6.7010 6.7320 7.5009 7.5130 7.8808 7.8893 8.8392 8.8678 k = 0.0000 0.0000 0.7170 ( 5012 PWs) bands (ev): -8.2856 -8.2851 -8.0767 -8.0761 -7.9074 -7.9070 -7.8134 -7.8128 -3.9517 -3.9485 -3.9341 -3.9238 -3.3054 -3.2909 -3.2767 -3.2651 -3.2422 -3.2382 -1.1929 -1.1861 -0.9141 -0.9067 0.0466 0.0595 1.0628 1.1455 1.2331 1.2986 1.8713 1.9114 2.5027 2.5302 2.7940 2.8239 2.9265 2.9797 3.2151 3.3196 3.5039 3.6117 3.6811 3.7060 6.6250 6.6520 7.4716 7.4818 7.9106 7.9178 8.8547 8.8777 k = 0.0000 0.0000 0.7387 ( 5002 PWs) bands (ev): -8.2642 -8.2636 -8.0920 -8.0914 -7.9089 -7.9085 -7.8191 -7.8186 -3.9510 -3.9480 -3.9340 -3.9253 -3.3041 -3.2916 -3.2763 -3.2662 -3.2420 -3.2386 -1.1781 -1.1724 -0.9325 -0.9261 0.0223 0.0325 1.0689 1.1249 1.2705 1.3140 1.8409 1.8731 2.5329 2.5538 2.7915 2.8106 2.9819 3.0175 3.2524 3.3480 3.5132 3.6110 3.6865 3.7092 6.5596 6.5821 7.4455 7.4538 7.9368 7.9426 8.8701 8.8877 k = 0.0000 0.0000 0.7605 ( 5010 PWs) bands (ev): -8.2440 -8.2434 -8.1073 -8.1067 -7.9099 -7.9096 -7.8238 -7.8234 -3.9503 -3.9478 -3.9337 -3.9268 -3.3026 -3.2928 -3.2755 -3.2674 -3.2417 -3.2390 -1.1645 -1.1599 -0.9484 -0.9431 0.0034 0.0109 1.0710 1.1077 1.3053 1.3341 1.8118 1.8364 2.5608 2.5761 2.7823 2.7950 3.0288 3.0528 3.2868 3.3670 3.5248 3.6064 3.6919 3.7107 6.5069 6.5243 7.4241 7.4303 7.9584 7.9629 8.8842 8.8969 k = 0.0000 0.0000 0.7822 ( 5006 PWs) bands (ev): -8.2259 -8.2253 -8.1218 -8.1212 -7.9105 -7.9103 -7.8273 -7.8270 -3.9496 -3.9478 -3.9330 -3.9283 -3.3010 -3.2943 -3.2743 -3.2687 -3.2413 -3.2395 -1.1530 -1.1498 -0.9607 -0.9569 -0.0101 -0.0051 1.0719 1.0941 1.3351 1.3533 1.7875 1.8046 2.5849 2.5953 2.7711 2.7795 3.0648 3.0800 3.3170 3.3750 3.5394 3.5982 3.6969 3.7106 6.4687 6.4805 7.4083 7.4125 7.9747 7.9777 8.8959 8.9040 k = 0.0000 0.0000 0.8039 ( 5012 PWs) bands (ev): -8.2117 -8.2113 -8.1336 -8.1332 -7.9108 -7.9107 -7.8294 -7.8292 -3.9489 -3.9480 -3.9322 -3.9298 -3.2994 -3.2959 -3.2730 -3.2701 -3.2409 -3.2400 -1.1449 -1.1432 -0.9685 -0.9665 -0.0177 -0.0152 1.0736 1.0841 1.3570 1.3660 1.7723 1.7812 2.6029 2.6082 2.7624 2.7667 3.0886 3.0961 3.3421 3.3725 3.5558 3.5866 3.7016 3.7088 6.4464 6.4524 7.3989 7.4010 7.9850 7.9865 8.9042 8.9081 k = 0.0000 0.0000 0.8256 ( 5016 PWs) bands (ev): -8.2057 -8.2057 -8.1384 -8.1384 -7.9109 -7.9109 -7.8300 -7.8300 -3.9484 -3.9484 -3.9310 -3.9310 -3.2976 -3.2976 -3.2716 -3.2716 -3.2404 -3.2404 -1.1415 -1.1415 -0.9705 -0.9705 -0.0194 -0.0194 1.0774 1.0774 1.3678 1.3678 1.7698 1.7698 2.6113 2.6113 2.7603 2.7603 3.0991 3.0991 3.3610 3.3610 3.5721 3.5721 3.7057 3.7057 6.4409 6.4409 7.3965 7.3965 7.9890 7.9890 8.9083 8.9083 k = 0.0000 0.0000 0.8256 ( 5016 PWs) bands (ev): -8.2057 -8.2057 -8.1384 -8.1384 -7.9109 -7.9109 -7.8300 -7.8300 -3.9484 -3.9484 -3.9310 -3.9310 -3.2976 -3.2976 -3.2716 -3.2716 -3.2404 -3.2404 -1.1415 -1.1415 -0.9705 -0.9705 -0.0194 -0.0194 1.0774 1.0774 1.3678 1.3678 1.7698 1.7698 2.6113 2.6113 2.7603 2.7603 3.0991 3.0991 3.3610 3.3610 3.5721 3.5721 3.7057 3.7057 6.4409 6.4409 7.3965 7.3965 7.9890 7.9890 8.9083 8.9083 k =-0.0132 0.0173 0.8256 ( 5020 PWs) bands (ev): -8.2056 -8.2056 -8.1387 -8.1387 -7.9109 -7.9108 -7.8301 -7.8300 -3.9493 -3.9476 -3.9330 -3.9293 -3.2991 -3.2966 -3.2739 -3.2694 -3.2413 -3.2398 -1.1398 -1.1384 -0.9694 -0.9690 -0.0203 -0.0187 1.0759 1.0793 1.3658 1.3705 1.7687 1.7712 2.6069 2.6114 2.7556 2.7598 3.0980 3.0990 3.3583 3.3623 3.5677 3.5725 3.7049 3.7052 6.4425 6.4458 7.3983 7.3992 7.9907 7.9972 8.9094 8.9116 k =-0.0263 0.0346 0.8256 ( 5012 PWs) bands (ev): -8.2052 -8.2052 -8.1397 -8.1397 -7.9108 -7.9106 -7.8301 -7.8299 -3.9504 -3.9471 -3.9351 -3.9277 -3.3010 -3.2960 -3.2761 -3.2674 -3.2423 -3.2394 -1.1335 -1.1307 -0.9656 -0.9649 -0.0213 -0.0180 1.0749 1.0817 1.3643 1.3738 1.7680 1.7730 2.5983 2.6073 2.7458 2.7542 3.0955 3.0975 3.3544 3.3623 3.5595 3.5689 3.7029 3.7033 6.4505 6.4571 7.4046 7.4065 8.0020 8.0150 8.9144 8.9191 k =-0.0395 0.0519 0.8256 ( 4996 PWs) bands (ev): -8.2046 -8.2045 -8.1412 -8.1412 -7.9106 -7.9103 -7.8302 -7.8299 -3.9517 -3.9466 -3.9372 -3.9264 -3.3033 -3.2958 -3.2781 -3.2657 -3.2435 -3.2393 -1.1226 -1.1185 -0.9592 -0.9581 -0.0224 -0.0175 1.0743 1.0845 1.3635 1.3778 1.7676 1.7751 2.5855 2.5988 2.7314 2.7437 3.0918 3.0949 3.3493 3.3609 3.5481 3.5617 3.6991 3.6999 6.4648 6.4746 7.4152 7.4183 8.0219 8.0415 8.9225 8.9298 k =-0.0526 0.0692 0.8256 ( 4992 PWs) bands (ev): -8.2038 -8.2037 -8.1434 -8.1434 -7.9101 -7.9098 -7.8302 -7.8298 -3.9532 -3.9463 -3.9393 -3.9254 -3.3061 -3.2961 -3.2797 -3.2644 -3.2448 -3.2395 -1.1073 -1.1020 -0.9504 -0.9489 -0.0235 -0.0171 1.0742 1.0879 1.3631 1.3825 1.7675 1.7776 2.5683 2.5860 2.7129 2.7291 3.0868 3.0912 3.3431 3.3581 3.5341 3.5513 3.6934 3.6947 6.4852 6.4980 7.4298 7.4344 8.0491 8.0753 8.9319 8.9424 k =-0.0658 0.0865 0.8256 ( 5000 PWs) bands (ev): -8.2028 -8.2026 -8.1463 -8.1462 -7.9094 -7.9091 -7.8303 -7.8298 -3.9551 -3.9460 -3.9413 -3.9248 -3.3094 -3.2968 -3.2808 -3.2635 -3.2461 -3.2398 -1.0878 -1.0814 -0.9392 -0.9372 -0.0247 -0.0169 1.0744 1.0917 1.3633 1.3879 1.7676 1.7805 2.5466 2.5688 2.6911 2.7112 3.0807 3.0865 3.3358 3.3540 3.5181 3.5383 3.6856 3.6876 6.5113 6.5270 7.4482 7.4545 8.0814 8.1141 8.9392 8.9537 k =-0.0790 0.1038 0.8256 ( 5008 PWs) bands (ev): -8.2018 -8.2015 -8.1497 -8.1496 -7.9084 -7.9080 -7.8303 -7.8298 -3.9571 -3.9460 -3.9431 -3.9244 -3.3131 -3.2979 -3.2815 -3.2630 -3.2475 -3.2405 -1.0645 -1.0571 -0.9258 -0.9232 -0.0258 -0.0168 1.0751 1.0961 1.3640 1.3941 1.7679 1.7836 2.5204 2.5472 2.6671 2.6910 3.0736 3.0809 3.3276 3.3487 3.5007 3.5234 3.6754 3.6784 6.5426 6.5610 7.4698 7.4783 8.1160 8.1551 8.9383 8.9585 k =-0.0921 0.1211 0.8256 ( 5000 PWs) bands (ev): -8.2007 -8.2005 -8.1537 -8.1535 -7.9070 -7.9065 -7.8303 -7.8297 -3.9594 -3.9460 -3.9448 -3.9243 -3.3171 -3.2993 -3.2819 -3.2629 -3.2487 -3.2413 -1.0376 -1.0295 -0.9104 -0.9071 -0.0269 -0.0168 1.0762 1.1011 1.3652 1.4011 1.7682 1.7870 2.4898 2.5213 2.6417 2.6696 3.0656 3.0745 3.3186 3.3422 3.4824 3.5071 3.6631 3.6670 6.5786 6.5996 7.4940 7.5052 8.1498 8.1947 8.9222 8.9494 k =-0.1053 0.1384 0.8256 ( 5002 PWs) bands (ev): -8.1999 -8.1996 -8.1581 -8.1579 -7.9051 -7.9046 -7.8302 -7.8296 -3.9618 -3.9465 -3.9460 -3.9244 -3.3212 -3.3010 -3.2821 -3.2631 -3.2498 -3.2423 -1.0076 -0.9991 -0.8932 -0.8891 -0.0277 -0.0168 1.0778 1.1066 1.3669 1.4088 1.7686 1.7906 2.4551 2.4913 2.6160 2.6478 3.0568 3.0673 3.3088 3.3347 3.4635 3.4898 3.6486 3.6535 6.6189 6.6422 7.5202 7.5345 8.1792 8.2290 8.8885 8.9232 k =-0.1185 0.1557 0.8256 ( 4998 PWs) bands (ev): -8.1996 -8.1992 -8.1627 -8.1625 -7.9027 -7.9022 -7.8301 -7.8295 -3.9643 -3.9478 -3.9463 -3.9248 -3.3254 -3.3029 -3.2823 -3.2636 -3.2508 -3.2436 -0.9752 -0.9665 -0.8745 -0.8695 -0.0282 -0.0168 1.0799 1.1128 1.3692 1.4173 1.7689 1.7944 2.4170 2.4577 2.5908 2.6265 3.0472 3.0594 3.2983 3.3264 3.4444 3.4719 3.6323 3.6381 6.6629 6.6882 7.5474 7.5654 8.2010 8.2542 8.8406 8.8828 k =-0.1316 0.1730 0.8256 ( 4994 PWs) bands (ev): -8.2000 -8.1996 -8.1673 -8.1669 -7.8998 -7.8993 -7.8299 -7.8293 -3.9668 -3.9492 -3.9467 -3.9254 -3.3294 -3.3049 -3.2824 -3.2644 -3.2517 -3.2449 -0.9409 -0.9323 -0.8546 -0.8484 -0.0279 -0.0165 1.0826 1.1198 1.3719 1.4266 1.7691 1.7982 2.3765 2.4212 2.5667 2.6060 3.0370 3.0506 3.2874 3.3174 3.4252 3.4538 3.6143 3.6210 6.7099 6.7370 7.5744 7.5967 8.2126 8.2677 8.7825 8.8318 k =-0.1448 0.1903 0.8256 ( 4994 PWs) bands (ev): -8.2019 -8.2013 -8.1711 -8.1707 -7.8963 -7.8958 -7.8295 -7.8289 -3.9691 -3.9505 -3.9471 -3.9261 -3.3332 -3.3072 -3.2826 -3.2652 -3.2525 -3.2464 -0.9056 -0.8972 -0.8338 -0.8263 -0.0267 -0.0158 1.0860 1.1276 1.3753 1.4368 1.7691 1.8020 2.3346 2.3825 2.5443 2.5865 3.0262 3.0411 3.2762 3.3078 3.4061 3.4356 3.5950 3.6024 6.7594 6.7879 7.6000 7.6271 8.2130 8.2690 8.7167 8.7722 k =-0.1448 0.1903 0.8256 ( 4994 PWs) bands (ev): -8.2019 -8.2013 -8.1711 -8.1707 -7.8963 -7.8958 -7.8295 -7.8289 -3.9691 -3.9505 -3.9471 -3.9261 -3.3332 -3.3072 -3.2826 -3.2652 -3.2525 -3.2464 -0.9056 -0.8972 -0.8338 -0.8263 -0.0267 -0.0158 1.0860 1.1276 1.3753 1.4368 1.7691 1.8020 2.3346 2.3825 2.5443 2.5865 3.0262 3.0411 3.2762 3.3078 3.4061 3.4356 3.5950 3.6024 6.7594 6.7879 7.6000 7.6271 8.2130 8.2690 8.7167 8.7722 k =-0.1537 0.2019 0.8110 ( 4992 PWs) bands (ev): -8.1960 -8.1955 -8.1835 -8.1830 -7.8868 -7.8863 -7.8337 -7.8331 -3.9706 -3.9511 -3.9471 -3.9274 -3.3351 -3.3095 -3.2820 -3.2656 -3.2535 -3.2477 -0.8935 -0.8818 -0.8091 -0.7962 -0.0258 -0.0164 1.0931 1.1334 1.3701 1.4345 1.7777 1.8053 2.2960 2.3461 2.5495 2.5910 3.0030 3.0154 3.2862 3.3023 3.4046 3.4287 3.5705 3.5797 6.7935 6.8231 7.6218 7.6504 8.1985 8.2533 8.6599 8.7214 k =-0.1625 0.2136 0.7963 ( 4991 PWs) bands (ev): -8.1966 -8.1964 -8.1897 -8.1896 -7.8765 -7.8761 -7.8379 -7.8373 -3.9720 -3.9520 -3.9467 -3.9286 -3.3368 -3.3119 -3.2815 -3.2660 -3.2545 -3.2491 -0.8880 -0.8728 -0.7763 -0.7603 -0.0214 -0.0138 1.1011 1.1409 1.3598 1.4267 1.7902 1.8120 2.2612 2.3119 2.5537 2.5945 2.9704 2.9804 3.2860 3.2996 3.3997 3.4336 3.5453 3.5574 6.8337 6.8647 7.6441 7.6743 8.1768 8.2302 8.6011 8.6667 k =-0.1714 0.2253 0.7817 ( 4999 PWs) bands (ev): -8.2081 -8.2077 -8.1861 -8.1858 -7.8656 -7.8652 -7.8421 -7.8416 -3.9734 -3.9531 -3.9462 -3.9299 -3.3383 -3.3143 -3.2810 -3.2664 -3.2553 -3.2504 -0.8857 -0.8676 -0.7391 -0.7214 -0.0135 -0.0079 1.1096 1.1500 1.3456 1.4145 1.8042 1.8202 2.2316 2.2811 2.5570 2.5968 2.9297 2.9387 3.2740 3.2955 3.3986 3.4436 3.5219 3.5373 6.8793 6.9117 7.6659 7.6976 8.1495 8.2014 8.5416 8.6098 k =-0.1803 0.2369 0.7670 ( 4996 PWs) bands (ev): -8.2195 -8.2191 -8.1827 -8.1825 -7.8542 -7.8539 -7.8462 -7.8457 -3.9746 -3.9543 -3.9456 -3.9311 -3.3397 -3.3166 -3.2806 -3.2668 -3.2562 -3.2517 -0.8854 -0.8644 -0.7000 -0.6811 -0.0021 0.0013 1.1185 1.1605 1.3287 1.3992 1.8162 1.8286 2.2090 2.2547 2.5589 2.5977 2.8825 2.8928 3.2547 3.2817 3.4034 3.4534 3.5038 3.5208 6.9295 6.9634 7.6858 7.7187 8.1183 8.1689 8.4827 8.5524 k =-0.1892 0.2486 0.7523 ( 4993 PWs) bands (ev): -8.2305 -8.2301 -8.1799 -8.1798 -7.8505 -7.8500 -7.8425 -7.8422 -3.9758 -3.9555 -3.9450 -3.9323 -3.3409 -3.3189 -3.2802 -3.2672 -3.2569 -3.2529 -0.8864 -0.8627 -0.6600 -0.6403 0.0126 0.0140 1.1270 1.1721 1.3103 1.3822 1.8221 1.8371 2.1950 2.2337 2.5589 2.5968 2.8313 2.8446 3.2286 3.2581 3.4118 3.4562 3.4976 3.5099 6.9836 7.0189 7.7021 7.7358 8.0852 8.1349 8.4258 8.4962 k =-0.1981 0.2603 0.7377 ( 4990 PWs) bands (ev): -8.2410 -8.2407 -8.1777 -8.1775 -7.8546 -7.8541 -7.8308 -7.8306 -3.9769 -3.9567 -3.9444 -3.9335 -3.3420 -3.3211 -3.2800 -3.2676 -3.2576 -3.2540 -0.8884 -0.8621 -0.6198 -0.5995 0.0291 0.0315 1.1345 1.1844 1.2917 1.3646 1.8203 1.8434 2.1908 2.2193 2.5558 2.5935 2.7781 2.7966 3.1960 3.2264 3.4198 3.4508 3.5000 3.5106 7.0406 7.0773 7.7132 7.7468 8.0522 8.1013 8.3722 8.4428 k =-0.2069 0.2719 0.7230 ( 4988 PWs) bands (ev): -8.2511 -8.2507 -8.1759 -8.1757 -7.8587 -7.8582 -7.8191 -7.8189 -3.9778 -3.9579 -3.9438 -3.9346 -3.3429 -3.3232 -3.2800 -3.2681 -3.2582 -3.2549 -0.8912 -0.8624 -0.5800 -0.5591 0.0479 0.0529 1.1396 1.1968 1.2742 1.3480 1.8118 1.8452 2.1961 2.2120 2.5466 2.5868 2.7252 2.7524 3.1581 3.1888 3.4242 3.4453 3.5019 3.5237 7.0996 7.1375 7.7174 7.7497 8.0211 8.0700 8.3234 8.3941 k =-0.2158 0.2836 0.7083 ( 4996 PWs) bands (ev): -8.2606 -8.2602 -8.1744 -8.1742 -7.8627 -7.8623 -7.8077 -7.8075 -3.9787 -3.9591 -3.9434 -3.9354 -3.3438 -3.3251 -3.2801 -3.2685 -3.2589 -3.2555 -0.8947 -0.8636 -0.5409 -0.5196 0.0694 0.0772 1.1410 1.2072 1.2604 1.3342 1.7982 1.8420 2.2071 2.2140 2.5275 2.5744 2.6764 2.7168 3.1165 3.1469 3.4238 3.4432 3.5085 3.5397 7.1596 7.1982 7.7137 7.7430 7.9932 8.0416 8.2811 8.3517 k =-0.2247 0.2953 0.6937 ( 4992 PWs) bands (ev): -8.2695 -8.2691 -8.1731 -8.1728 -7.8667 -7.8662 -7.7966 -7.7964 -3.9795 -3.9603 -3.9433 -3.9359 -3.3446 -3.3267 -3.2804 -3.2690 -3.2596 -3.2558 -0.8987 -0.8654 -0.5029 -0.4814 0.0932 0.1039 1.1372 1.2103 1.2550 1.3255 1.7811 1.8343 2.2138 2.2321 2.4958 2.5499 2.6396 2.6924 3.0725 3.1027 3.4208 3.4427 3.5188 3.5563 7.2193 7.2579 7.7028 7.7274 7.9681 8.0157 8.2468 8.3174 k =-0.2336 0.3069 0.6790 ( 4984 PWs) bands (ev): -8.2778 -8.2774 -8.1720 -8.1717 -7.8706 -7.8701 -7.7861 -7.7858 -3.9802 -3.9615 -3.9436 -3.9361 -3.3454 -3.3280 -3.2810 -3.2694 -3.2602 -3.2558 -0.9030 -0.8678 -0.4665 -0.4449 0.1187 0.1326 1.1283 1.2020 1.2614 1.3236 1.7624 1.8235 2.2218 2.2566 2.4542 2.5090 2.6195 2.6777 3.0275 3.0576 3.4174 3.4424 3.5313 3.5727 7.2771 7.3147 7.6869 7.7055 7.9444 7.9905 8.2220 8.2922 k =-0.2425 0.3186 0.6643 ( 4977 PWs) bands (ev): -8.2855 -8.2851 -8.1709 -8.1705 -7.8744 -7.8739 -7.7761 -7.7758 -3.9808 -3.9626 -3.9442 -3.9358 -3.3463 -3.3290 -3.2818 -3.2698 -3.2608 -3.2555 -0.9075 -0.8706 -0.4320 -0.4104 0.1455 0.1624 1.1157 1.1869 1.2737 1.3285 1.7436 1.8108 2.2300 2.2836 2.4085 2.4591 2.6091 2.6695 2.9828 3.0129 3.4142 3.4420 3.5445 3.5887 7.3311 7.3658 7.6696 7.6813 7.9208 7.9645 8.2070 8.2758 k =-0.2513 0.3303 0.6497 ( 4981 PWs) bands (ev): -8.2925 -8.2921 -8.1699 -8.1694 -7.8780 -7.8776 -7.7669 -7.7664 -3.9813 -3.9636 -3.9450 -3.9352 -3.3473 -3.3295 -3.2829 -3.2701 -3.2614 -3.2551 -0.9120 -0.8737 -0.3997 -0.3782 0.1727 0.1926 1.1013 1.1692 1.2880 1.3390 1.7258 1.7977 2.2334 2.3101 2.3654 2.4091 2.6015 2.6653 2.9392 2.9700 3.4112 3.4415 3.5578 3.6040 7.3784 7.4073 7.6546 7.6611 7.8969 7.9374 8.2010 8.2673 k =-0.2602 0.3420 0.6350 ( 4980 PWs) bands (ev): -8.2988 -8.2984 -8.1688 -8.1683 -7.8816 -7.8812 -7.7584 -7.7579 -3.9817 -3.9646 -3.9460 -3.9345 -3.3484 -3.3296 -3.2841 -3.2703 -3.2618 -3.2545 -0.9165 -0.8770 -0.3700 -0.3487 0.1995 0.2222 1.0870 1.1508 1.3028 1.3535 1.7100 1.7852 2.2221 2.3208 2.3344 2.3774 2.5937 2.6638 2.8978 2.9299 3.4082 3.4410 3.5708 3.6184 7.4150 7.4347 7.6426 7.6551 7.8733 7.9101 8.2022 8.2650 k =-0.2691 0.3536 0.6203 ( 4976 PWs) bands (ev): -8.3044 -8.3040 -8.1676 -8.1671 -7.8850 -7.8846 -7.7508 -7.7502 -3.9821 -3.9654 -3.9470 -3.9337 -3.3497 -3.3293 -3.2855 -3.2705 -3.2622 -3.2538 -0.9207 -0.8803 -0.3433 -0.3220 0.2248 0.2502 1.0742 1.1331 1.3177 1.3707 1.6969 1.7739 2.1897 2.2806 2.3310 2.3911 2.5844 2.6643 2.8592 2.8936 3.4052 3.4404 3.5832 3.6318 7.4361 7.4459 7.6411 7.6634 7.8510 7.8842 8.2089 8.2669 k =-0.2780 0.3653 0.6057 ( 4976 PWs) bands (ev): -8.3093 -8.3089 -8.1664 -8.1658 -7.8883 -7.8879 -7.7440 -7.7434 -3.9824 -3.9662 -3.9479 -3.9329 -3.3510 -3.3286 -3.2870 -3.2706 -3.2625 -3.2530 -0.9246 -0.8835 -0.3198 -0.2986 0.2477 0.2752 1.0642 1.1171 1.3325 1.3894 1.6871 1.7647 2.1449 2.2300 2.3373 2.4194 2.5730 2.6665 2.8240 2.8621 3.4022 3.4397 3.5947 3.6440 7.4405 7.4458 7.6528 7.6805 7.8311 7.8616 8.2192 8.2715 k =-0.2869 0.3770 0.5910 ( 4966 PWs) bands (ev): -8.3135 -8.3131 -8.1650 -8.1644 -7.8914 -7.8910 -7.7383 -7.7376 -3.9826 -3.9668 -3.9489 -3.9320 -3.3523 -3.3276 -3.2887 -3.2706 -3.2628 -3.2522 -0.9281 -0.8865 -0.2999 -0.2785 0.2670 0.2961 1.0576 1.1038 1.3471 1.4092 1.6812 1.7581 2.0958 2.1790 2.3477 2.4500 2.5595 2.6704 2.7929 2.8357 3.3991 3.4388 3.6051 3.6549 7.4338 7.4406 7.6720 7.6993 7.8144 7.8445 8.2315 8.2773 k =-0.2957 0.3886 0.5764 ( 4973 PWs) bands (ev): -8.3170 -8.3165 -8.1635 -8.1629 -7.8944 -7.8940 -7.7335 -7.7328 -3.9828 -3.9674 -3.9498 -3.9312 -3.3536 -3.3263 -3.2904 -3.2705 -3.2630 -3.2514 -0.9311 -0.8893 -0.2839 -0.2622 0.2817 0.3120 1.0549 1.0940 1.3615 1.4295 1.6796 1.7544 2.0460 2.1291 2.3592 2.4808 2.5443 2.6761 2.7661 2.8144 3.3958 3.4378 3.6144 3.6644 7.4248 7.4334 7.6910 7.7146 7.8020 7.8354 8.2437 8.2827 k =-0.3046 0.4003 0.5617 ( 4969 PWs) bands (ev): -8.3197 -8.3192 -8.1618 -8.1612 -7.8972 -7.8968 -7.7298 -7.7291 -3.9830 -3.9678 -3.9506 -3.9303 -3.3548 -3.3248 -3.2921 -3.2704 -3.2631 -3.2506 -0.9335 -0.8917 -0.2721 -0.2499 0.2913 0.3221 1.0556 1.0889 1.3756 1.4501 1.6825 1.7541 1.9972 2.0809 2.3706 2.5102 2.5294 2.6836 2.7439 2.7978 3.3924 3.4365 3.6225 3.6724 7.4177 7.4273 7.7036 7.7243 7.7958 7.8350 8.2539 8.2867 k =-0.3135 0.4120 0.5470 ( 4963 PWs) bands (ev): -8.3216 -8.3211 -8.1600 -8.1594 -7.8998 -7.8994 -7.7271 -7.7264 -3.9832 -3.9681 -3.9513 -3.9295 -3.3559 -3.3232 -3.2939 -3.2703 -3.2631 -3.2499 -0.9353 -0.8936 -0.2647 -0.2418 0.2952 0.3262 1.0580 1.0897 1.3896 1.4707 1.6900 1.7573 1.9504 2.0350 2.3814 2.5090 2.5447 2.6928 2.7268 2.7854 3.3888 3.4351 3.6293 3.6787 7.4142 7.4247 7.7075 7.7284 7.7979 7.8412 8.2599 8.2880 k =-0.3224 0.4236 0.5324 ( 4967 PWs) bands (ev): -8.3228 -8.3223 -8.1581 -8.1574 -7.9023 -7.9019 -7.7254 -7.7247 -3.9833 -3.9682 -3.9519 -3.9288 -3.3569 -3.3214 -3.2956 -3.2701 -3.2630 -3.2491 -0.9363 -0.8950 -0.2619 -0.2382 0.2937 0.3244 1.0608 1.0966 1.4037 1.4911 1.7019 1.7641 1.9066 1.9918 2.3913 2.4933 2.5750 2.7004 2.7180 2.7766 3.3851 3.4335 3.6346 3.6833 7.4154 7.4264 7.7055 7.7281 7.8060 7.8505 8.2601 8.2859 k =-0.3224 0.4236 0.5324 ( 4967 PWs) bands (ev): -8.3228 -8.3223 -8.1581 -8.1574 -7.9023 -7.9019 -7.7254 -7.7247 -3.9833 -3.9682 -3.9519 -3.9288 -3.3569 -3.3214 -3.2956 -3.2701 -3.2630 -3.2491 -0.9363 -0.8950 -0.2619 -0.2382 0.2937 0.3244 1.0608 1.0966 1.4037 1.4911 1.7019 1.7641 1.9066 1.9918 2.3913 2.4933 2.5750 2.7004 2.7180 2.7766 3.3851 3.4335 3.6346 3.6833 7.4154 7.4264 7.7055 7.7281 7.8060 7.8505 8.2601 8.2859 k =-0.3132 0.4115 0.5171 ( 4969 PWs) bands (ev): -8.3305 -8.3300 -8.1486 -8.1479 -7.9050 -7.9047 -7.7228 -7.7220 -3.9841 -3.9677 -3.9502 -3.9278 -3.3564 -3.3214 -3.2948 -3.2677 -3.2635 -3.2483 -0.9538 -0.9142 -0.2373 -0.2108 0.3067 0.3332 1.0337 1.0666 1.3851 1.4710 1.6958 1.7530 1.8884 1.9681 2.3765 2.4902 2.5889 2.6824 2.7275 2.7533 3.3984 3.4451 3.6489 3.6971 7.4659 7.4767 7.7450 7.7667 7.8443 7.8942 8.2818 8.3141 k =-0.3040 0.3994 0.5019 ( 4973 PWs) bands (ev): -8.3409 -8.3404 -8.1377 -8.1371 -7.9061 -7.9058 -7.7201 -7.7194 -3.9846 -3.9672 -3.9484 -3.9270 -3.3555 -3.3213 -3.2938 -3.2653 -3.2640 -3.2475 -0.9729 -0.9351 -0.2191 -0.1897 0.3295 0.3516 1.0066 1.0371 1.3666 1.4524 1.6910 1.7425 1.8670 1.9420 2.3640 2.4863 2.6047 2.6543 2.7321 2.7574 3.4068 3.4514 3.6615 3.7088 7.5167 7.5280 7.7793 7.7991 7.8798 7.9333 8.3019 8.3432 k =-0.2948 0.3873 0.4867 ( 4977 PWs) bands (ev): -8.3538 -8.3534 -8.1256 -8.1250 -7.9057 -7.9055 -7.7174 -7.7166 -3.9849 -3.9666 -3.9466 -3.9262 -3.3544 -3.3210 -3.2928 -3.2648 -3.2626 -3.2467 -0.9932 -0.9575 -0.2073 -0.1749 0.3614 0.3794 0.9798 1.0083 1.3484 1.4352 1.6877 1.7323 1.8428 1.9137 2.3535 2.4812 2.6083 2.6444 2.7198 2.7869 3.4100 3.4522 3.6722 3.7183 7.5669 7.5797 7.8075 7.8248 7.9141 7.9690 8.3210 8.3712 k =-0.2855 0.3752 0.4715 ( 4977 PWs) bands (ev): -8.3688 -8.3684 -8.1124 -8.1118 -7.9039 -7.9037 -7.7147 -7.7139 -3.9849 -3.9660 -3.9446 -3.9254 -3.3529 -3.3205 -3.2916 -3.2654 -3.2603 -3.2460 -1.0146 -0.9811 -0.2011 -0.1660 0.4002 0.4158 0.9537 0.9810 1.3307 1.4194 1.6858 1.7219 1.8171 1.8837 2.3445 2.4736 2.5947 2.6557 2.7171 2.8188 3.4078 3.4476 3.6808 3.7256 7.6155 7.6306 7.8295 7.8442 7.9493 8.0028 8.3389 8.3968 k =-0.2763 0.3631 0.4563 ( 4973 PWs) bands (ev): -8.3857 -8.3853 -8.0984 -8.0978 -7.9009 -7.9007 -7.7119 -7.7112 -3.9846 -3.9652 -3.9426 -3.9248 -3.3512 -3.3199 -3.2903 -3.2661 -3.2579 -3.2454 -1.0368 -1.0056 -0.1993 -0.1619 0.4432 0.4595 0.9290 0.9560 1.3138 1.4049 1.6842 1.7100 1.7925 1.8526 2.3368 2.4623 2.5840 2.6640 2.7294 2.8525 3.4004 3.4377 3.6870 3.7306 7.6613 7.6788 7.8452 7.8580 7.9868 8.0363 8.3551 8.4191 k =-0.2671 0.3510 0.4411 ( 4973 PWs) bands (ev): -8.4040 -8.4037 -8.0837 -8.0831 -7.8969 -7.8966 -7.7092 -7.7084 -3.9840 -3.9644 -3.9405 -3.9242 -3.3492 -3.3190 -3.2889 -3.2668 -3.2557 -3.2449 -1.0596 -1.0307 -0.2007 -0.1612 0.4879 0.5082 0.9064 0.9345 1.2975 1.3913 1.6782 1.6978 1.7725 1.8214 2.3305 2.4478 2.5806 2.6667 2.7541 2.8876 3.3877 3.4229 3.6907 3.7335 7.7031 7.7217 7.8554 7.8679 8.0279 8.0714 8.3691 8.4375 k =-0.2579 0.3389 0.4259 ( 4981 PWs) bands (ev): -8.4234 -8.4232 -8.0684 -8.0678 -7.8919 -7.8916 -7.7064 -7.7057 -3.9833 -3.9635 -3.9385 -3.9237 -3.3469 -3.3181 -3.2875 -3.2676 -3.2535 -3.2444 -1.0827 -1.0562 -0.2041 -0.1629 0.5314 0.5588 0.8878 0.9184 1.2820 1.3785 1.6577 1.6919 1.7590 1.7920 2.3263 2.4321 2.5834 2.6678 2.7851 2.9240 3.3701 3.4036 3.6916 3.7344 7.7387 7.7548 7.8611 7.8778 8.0732 8.1095 8.3802 8.4516 k =-0.2487 0.3268 0.4107 ( 4995 PWs) bands (ev): -8.4438 -8.4436 -8.0526 -8.0521 -7.8862 -7.8858 -7.7037 -7.7030 -3.9822 -3.9625 -3.9364 -3.9233 -3.3444 -3.3169 -3.2861 -3.2683 -3.2515 -3.2440 -1.1060 -1.0818 -0.2088 -0.1660 0.5704 0.6067 0.8759 0.9104 1.2671 1.3663 1.6273 1.6856 1.7505 1.7685 2.3248 2.4175 2.5904 2.6690 2.8194 2.9613 3.3478 3.3803 3.6900 3.7335 7.7642 7.7725 7.8659 7.8929 8.1229 8.1518 8.3880 8.4613 k =-0.2395 0.3147 0.3955 ( 4995 PWs) bands (ev): -8.4648 -8.4646 -8.0365 -8.0360 -7.8799 -7.8795 -7.7011 -7.7004 -3.9810 -3.9614 -3.9344 -3.9230 -3.3416 -3.3157 -3.2846 -3.2691 -3.2496 -3.2437 -1.1293 -1.1074 -0.2139 -0.1698 0.6011 0.6459 0.8757 0.9136 1.2528 1.3543 1.5928 1.6702 1.7448 1.7558 2.3272 2.4059 2.6000 2.6702 2.8557 2.9991 3.3215 3.3537 3.6858 3.7311 7.7695 7.7751 7.8770 7.9154 8.1765 8.1988 8.3920 8.4661 k =-0.2303 0.3026 0.3803 ( 4997 PWs) bands (ev): -8.4862 -8.4860 -8.0202 -8.0198 -7.8731 -7.8726 -7.6984 -7.6977 -3.9795 -3.9603 -3.9325 -3.9227 -3.3386 -3.3143 -3.2831 -3.2700 -3.2479 -3.2435 -1.1524 -1.1327 -0.2190 -0.1736 0.6203 0.6697 0.8933 0.9302 1.2390 1.3426 1.5566 1.6450 1.7429 1.7509 2.3344 2.3987 2.6110 2.6709 2.8931 3.0365 3.2917 3.3249 3.6794 3.7277 7.7527 7.7637 7.8979 7.9423 8.2327 8.2500 8.3913 8.4652 k =-0.2211 0.2905 0.3650 ( 4993 PWs) bands (ev): -8.5078 -8.5077 -8.0038 -8.0033 -7.8659 -7.8655 -7.6958 -7.6952 -3.9778 -3.9591 -3.9306 -3.9225 -3.3354 -3.3127 -3.2816 -3.2708 -3.2463 -3.2433 -1.1751 -1.1576 -0.2238 -0.1772 0.6282 0.6770 0.9291 0.9593 1.2258 1.3311 1.5200 1.6146 1.7431 1.7496 2.3469 2.3966 2.6226 2.6702 2.9312 3.0723 3.2592 3.2956 3.6712 3.7236 7.7223 7.7365 7.9251 7.9708 8.2890 8.3039 8.3850 8.4552 k =-0.2119 0.2784 0.3498 ( 4989 PWs) bands (ev): -8.5295 -8.5294 -7.9873 -7.9869 -7.8585 -7.8580 -7.6933 -7.6927 -3.9759 -3.9578 -3.9288 -3.9224 -3.3320 -3.3111 -3.2802 -3.2716 -3.2449 -3.2432 -1.1973 -1.1819 -0.2279 -0.1801 0.6275 0.6730 0.9771 0.9970 1.2131 1.3196 1.4841 1.5824 1.7420 1.7510 2.3652 2.4005 2.6343 2.6678 2.9692 3.1031 3.2252 3.2695 3.6617 3.7195 7.6803 7.6967 7.9550 7.9993 8.3296 8.3573 8.3823 8.4287 k =-0.2026 0.2663 0.3346 ( 4989 PWs) bands (ev): -8.5511 -8.5510 -7.9708 -7.9705 -7.8510 -7.8504 -7.6909 -7.6903 -3.9739 -3.9565 -3.9272 -3.9223 -3.3284 -3.3093 -3.2789 -3.2724 -3.2440 -3.2429 -1.2189 -1.2055 -0.2311 -0.1822 0.6216 0.6636 1.0308 1.0384 1.2013 1.3083 1.4495 1.5502 1.7395 1.7532 2.3888 2.4107 2.6451 2.6636 3.0057 3.1207 3.1911 3.2553 3.6515 3.7158 7.6276 7.6456 7.9856 8.0270 8.3052 8.3660 8.4137 8.4240 k =-0.1934 0.2542 0.3194 ( 4989 PWs) bands (ev): -8.5724 -8.5723 -7.9545 -7.9541 -7.8433 -7.8427 -7.6885 -7.6880 -3.9718 -3.9551 -3.9257 -3.9222 -3.3247 -3.3074 -3.2776 -3.2731 -3.2438 -3.2422 -1.2398 -1.2283 -0.2333 -0.1832 0.6133 0.6522 1.0765 1.0873 1.1914 1.2978 1.4173 1.5189 1.7364 1.7548 2.4147 2.4291 2.6496 2.6632 3.0365 3.1173 3.1598 3.2637 3.6412 3.7131 7.5647 7.5840 8.0152 8.0524 8.2435 8.2886 8.4496 8.4745 k =-0.1842 0.2421 0.3042 ( 4991 PWs) bands (ev): -8.5934 -8.5933 -7.9383 -7.9380 -7.8357 -7.8351 -7.6862 -7.6857 -3.9696 -3.9538 -3.9245 -3.9221 -3.3209 -3.3054 -3.2765 -3.2738 -3.2439 -3.2414 -1.2599 -1.2501 -0.2344 -0.1832 0.6042 0.6408 1.1065 1.1409 1.1857 1.2896 1.3887 1.4898 1.7330 1.7553 2.4370 2.4595 2.6415 2.6739 3.0470 3.1008 3.1433 3.2902 3.6314 3.7119 7.4924 7.5127 8.0399 8.0704 8.1673 8.2024 8.4694 8.5138 k =-0.1750 0.2300 0.2890 ( 4987 PWs) bands (ev): -8.6139 -8.6138 -7.9224 -7.9221 -7.8281 -7.8275 -7.6841 -7.6836 -3.9673 -3.9524 -3.9236 -3.9218 -3.3171 -3.3033 -3.2758 -3.2742 -3.2442 -3.2407 -1.2791 -1.2709 -0.2343 -0.1821 0.5956 0.6304 1.1190 1.1826 1.1931 1.2861 1.3661 1.4645 1.7297 1.7546 2.4572 2.4961 2.6301 2.6888 3.0271 3.0739 3.1607 3.3247 3.6230 3.7123 7.4115 7.4325 8.0343 8.0514 8.1085 8.1460 8.4813 8.5357 k =-0.1658 0.2179 0.2738 ( 4983 PWs) bands (ev): -8.6338 -8.6338 -7.9068 -7.9065 -7.8206 -7.8200 -7.6820 -7.6816 -3.9649 -3.9511 -3.9232 -3.9212 -3.3132 -3.3011 -3.2759 -3.2738 -3.2447 -3.2401 -1.2974 -1.2905 -0.2329 -0.1798 0.5882 0.6216 1.1161 1.1825 1.2302 1.2875 1.3549 1.4467 1.7267 1.7529 2.4754 2.5312 2.6211 2.7080 2.9951 3.0436 3.1940 3.3619 3.6164 3.7147 7.3231 7.3445 7.9592 7.9724 8.1077 8.1460 8.4941 8.5501 k =-0.1566 0.2058 0.2586 ( 4983 PWs) bands (ev): -8.6531 -8.6531 -7.8916 -7.8914 -7.8132 -7.8127 -7.6801 -7.6797 -3.9625 -3.9498 -3.9231 -3.9204 -3.3093 -3.2988 -3.2764 -3.2730 -3.2452 -3.2397 -1.3148 -1.3091 -0.2303 -0.1763 0.5824 0.6149 1.1059 1.1722 1.2494 1.2877 1.3614 1.4418 1.7242 1.7504 2.4894 2.5497 2.6276 2.7320 2.9622 3.0161 3.2314 3.3997 3.6122 3.7191 7.2283 7.2499 7.8675 7.8778 8.1155 8.1548 8.5116 8.5655 k =-0.1474 0.1937 0.2434 ( 4983 PWs) bands (ev): -8.6717 -8.6716 -7.8768 -7.8766 -7.8061 -7.8055 -7.6782 -7.6779 -3.9601 -3.9485 -3.9231 -3.9198 -3.3055 -3.2965 -3.2769 -3.2722 -3.2458 -3.2395 -1.3311 -1.3264 -0.2265 -0.1718 0.5786 0.6104 1.0929 1.1554 1.2470 1.2812 1.3821 1.4525 1.7227 1.7473 2.4981 2.5436 2.6554 2.7581 2.9347 2.9957 3.2699 3.4368 3.6110 3.7253 7.1282 7.1497 7.7747 7.7825 8.1150 8.1574 8.5354 8.5862 k =-0.1382 0.1816 0.2282 ( 4995 PWs) bands (ev): -8.6894 -8.6893 -7.8626 -7.8624 -7.7993 -7.7987 -7.6766 -7.6762 -3.9577 -3.9473 -3.9232 -3.9192 -3.3018 -3.2941 -3.2774 -3.2714 -3.2466 -3.2394 -1.3465 -1.3425 -0.2214 -0.1663 0.5770 0.6085 1.0784 1.1354 1.2349 1.2658 1.4063 1.4737 1.7222 1.7440 2.5019 2.5274 2.6858 2.7768 2.9227 2.9880 3.3088 3.4725 3.6133 3.7333 7.0241 7.0452 7.6836 7.6895 8.1039 8.1496 8.5662 8.6142 k =-0.1290 0.1695 0.2129 ( 4993 PWs) bands (ev): -8.7063 -8.7062 -7.8489 -7.8487 -7.7927 -7.7922 -7.6750 -7.6747 -3.9553 -3.9461 -3.9233 -3.9189 -3.2982 -3.2917 -3.2778 -3.2706 -3.2474 -3.2394 -1.3609 -1.3573 -0.2153 -0.1599 0.5777 0.6092 1.0632 1.1143 1.2196 1.2450 1.4269 1.4977 1.7230 1.7409 2.5021 2.5095 2.7053 2.7748 2.9385 2.9990 3.3477 3.5057 3.6196 3.7426 6.9171 6.9375 7.5958 7.6000 8.0827 8.1304 8.6039 8.6500 k =-0.1197 0.1574 0.1977 ( 4993 PWs) bands (ev): -8.7222 -8.7222 -7.8358 -7.8357 -7.7865 -7.7859 -7.6736 -7.6734 -3.9530 -3.9449 -3.9233 -3.9186 -3.2949 -3.2894 -3.2781 -3.2699 -3.2482 -3.2396 -1.3742 -1.3709 -0.2081 -0.1528 0.5808 0.6125 1.0476 1.0933 1.2023 1.2226 1.4411 1.5190 1.7251 1.7387 2.4919 2.5017 2.7093 2.7549 2.9783 3.0305 3.3865 3.5357 3.6306 3.7531 6.8083 6.8279 7.5119 7.5149 8.0528 8.1008 8.6476 8.6928 k =-0.1105 0.1452 0.1825 ( 4985 PWs) bands (ev): -8.7372 -8.7371 -7.8234 -7.8233 -7.7806 -7.7801 -7.6724 -7.6721 -3.9508 -3.9438 -3.9234 -3.9186 -3.2918 -3.2870 -3.2783 -3.2691 -3.2492 -3.2399 -1.3865 -1.3833 -0.2000 -0.1453 0.5864 0.6187 1.0318 1.0731 1.1822 1.2019 1.4481 1.5339 1.7282 1.7385 2.4780 2.5001 2.7007 2.7279 3.0303 3.0777 3.4254 3.5617 3.6466 3.7642 6.6987 6.7174 7.4326 7.4347 8.0164 8.0632 8.6960 8.7414 k =-0.1013 0.1331 0.1673 ( 4985 PWs) bands (ev): -8.7511 -8.7510 -7.8117 -7.8116 -7.7751 -7.7746 -7.6713 -7.6710 -3.9486 -3.9428 -3.9234 -3.9187 -3.2889 -3.2849 -3.2784 -3.2683 -3.2501 -3.2403 -1.3978 -1.3946 -0.1911 -0.1374 0.5944 0.6276 1.0161 1.0542 1.1590 1.1840 1.4478 1.5405 1.7321 1.7409 2.4677 2.4996 2.6849 2.6995 3.0880 3.1337 3.4646 3.5845 3.6668 3.7757 6.5896 6.6072 7.3584 7.3600 7.9757 8.0200 8.7479 8.7941 k =-0.0921 0.1210 0.1521 ( 4985 PWs) bands (ev): -8.7639 -8.7639 -7.8009 -7.8007 -7.7700 -7.7696 -7.6703 -7.6701 -3.9466 -3.9418 -3.9235 -3.9189 -3.2863 -3.2829 -3.2784 -3.2675 -3.2511 -3.2408 -1.4079 -1.4048 -0.1816 -0.1294 0.6049 0.6391 1.0008 1.0368 1.1342 1.1679 1.4409 1.5382 1.7367 1.7453 2.4616 2.5005 2.6658 2.6722 3.1473 3.1930 3.5045 3.6057 3.6897 3.7872 6.4820 6.4984 7.2894 7.2911 7.9326 7.9738 8.8021 8.8498 k =-0.0829 0.1089 0.1369 ( 4981 PWs) bands (ev): -8.7756 -8.7756 -7.7908 -7.7907 -7.7653 -7.7649 -7.6696 -7.6693 -3.9447 -3.9408 -3.9235 -3.9192 -3.2840 -3.2813 -3.2782 -3.2665 -3.2520 -3.2413 -1.4170 -1.4139 -0.1717 -0.1216 0.6176 0.6533 0.9860 1.0211 1.1091 1.1526 1.4286 1.5278 1.7422 1.7507 2.4594 2.5027 2.6447 2.6485 3.2053 3.2520 3.5455 3.6273 3.7133 3.7984 6.3770 6.3922 7.2263 7.2281 7.8890 7.9265 8.8576 8.9072 k =-0.0737 0.0968 0.1217 ( 4983 PWs) bands (ev): -8.7862 -8.7862 -7.7816 -7.7814 -7.7611 -7.7607 -7.6690 -7.6687 -3.9430 -3.9399 -3.9236 -3.9197 -3.2819 -3.2802 -3.2777 -3.2656 -3.2527 -3.2419 -1.4250 -1.4220 -0.1615 -0.1142 0.6324 0.6698 0.9719 1.0071 1.0842 1.1375 1.4125 1.5109 1.7481 1.7561 2.4607 2.5058 2.6228 2.6296 3.2599 3.3073 3.5880 3.6513 3.7365 3.8090 6.2760 6.2899 7.1692 7.1713 7.8464 7.8800 8.9135 8.9653 k =-0.0645 0.0847 0.1065 ( 4967 PWs) bands (ev): -8.7956 -8.7956 -7.7733 -7.7731 -7.7573 -7.7570 -7.6685 -7.6682 -3.9414 -3.9391 -3.9236 -3.9202 -3.2800 -3.2794 -3.2771 -3.2649 -3.2532 -3.2426 -1.4319 -1.4291 -0.1513 -0.1075 0.6491 0.6884 0.9584 0.9953 1.0599 1.1223 1.3942 1.4895 1.7537 1.7610 2.4643 2.5090 2.6038 2.6134 3.3091 3.3562 3.6319 3.6786 3.7585 3.8187 6.1804 6.1928 7.1186 7.1208 7.8062 7.8358 8.9690 9.0229 k =-0.0553 0.0726 0.0913 ( 4967 PWs) bands (ev): -8.8038 -8.8038 -7.7660 -7.7658 -7.7541 -7.7538 -7.6681 -7.6679 -3.9399 -3.9382 -3.9237 -3.9207 -3.2790 -3.2782 -3.2764 -3.2644 -3.2534 -3.2433 -1.4378 -1.4352 -0.1412 -0.1018 0.6674 0.7085 0.9455 0.9859 1.0366 1.1065 1.3757 1.4654 1.7586 1.7651 2.4693 2.5111 2.5891 2.6003 3.3519 3.3969 3.6765 3.7094 3.7788 3.8274 6.0916 6.1025 7.0745 7.0767 7.7695 7.7950 9.0234 9.0789 k =-0.0461 0.0605 0.0761 ( 4983 PWs) bands (ev): -8.8108 -8.8108 -7.7597 -7.7595 -7.7512 -7.7510 -7.6679 -7.6677 -3.9387 -3.9375 -3.9238 -3.9213 -3.2786 -3.2771 -3.2755 -3.2644 -3.2530 -3.2440 -1.4427 -1.4404 -0.1315 -0.0972 0.6869 0.7295 0.9331 0.9792 1.0144 1.0898 1.3586 1.4401 1.7627 1.7684 2.4745 2.5109 2.5793 2.5904 3.3877 3.4284 3.7202 3.7424 3.7975 3.8350 6.0115 6.0208 7.0370 7.0392 7.7373 7.7586 9.0760 9.1316 k =-0.0368 0.0484 0.0608 ( 4991 PWs) bands (ev): -8.8166 -8.8165 -7.7544 -7.7543 -7.7489 -7.7487 -7.6678 -7.6675 -3.9377 -3.9368 -3.9238 -3.9219 -3.2781 -3.2766 -3.2743 -3.2649 -3.2523 -3.2447 -1.4466 -1.4447 -0.1224 -0.0939 0.7072 0.7502 0.9216 0.9752 0.9940 1.0720 1.3448 1.4151 1.7660 1.7708 2.4791 2.5083 2.5742 2.5839 3.4168 3.4511 3.7605 3.7746 3.8151 3.8414 5.9420 5.9496 7.0064 7.0083 7.7103 7.7274 9.1258 9.1790 k =-0.0276 0.0363 0.0456 ( 4995 PWs) bands (ev): -8.8210 -8.8210 -7.7503 -7.7501 -7.7471 -7.7470 -7.6677 -7.6675 -3.9368 -3.9362 -3.9238 -3.9225 -3.2777 -3.2764 -3.2729 -3.2657 -3.2514 -3.2455 -1.4496 -1.4481 -0.1142 -0.0922 0.7275 0.7683 0.9121 0.9684 0.9811 1.0534 1.3356 1.3916 1.7685 1.7723 2.4828 2.5039 2.5726 2.5802 3.4397 3.4662 3.7933 3.8022 3.8326 3.8472 5.8852 5.8910 6.9826 6.9841 7.6892 7.7020 9.1720 9.2179 k =-0.0184 0.0242 0.0304 ( 4995 PWs) bands (ev): -8.8242 -8.8242 -7.7472 -7.7471 -7.7458 -7.7457 -7.6676 -7.6675 -3.9362 -3.9358 -3.9238 -3.9229 -3.2773 -3.2763 -3.2716 -3.2667 -3.2504 -3.2464 -1.4516 -1.4506 -0.1070 -0.0920 0.7471 0.7809 0.9073 0.9518 0.9829 1.0347 1.3317 1.3708 1.7705 1.7731 2.4856 2.4991 2.5730 2.5783 3.4568 3.4748 3.8142 3.8223 3.8498 3.8542 5.8431 5.8470 6.9656 6.9667 7.6743 7.6829 9.2131 9.2448 k =-0.0092 0.0121 0.0152 ( 4985 PWs) bands (ev): -8.8262 -8.8261 -7.7455 -7.7454 -7.7450 -7.7449 -7.6676 -7.6675 -3.9358 -3.9356 -3.9237 -3.9233 -3.2770 -3.2765 -3.2703 -3.2678 -3.2493 -3.2473 -1.4527 -1.4522 -0.1010 -0.0934 0.7646 0.7843 0.9098 0.9347 0.9905 1.0172 1.3336 1.3536 1.7719 1.7733 2.4882 2.4948 2.5743 2.5770 3.4688 3.4778 3.8256 3.8311 3.8624 3.8628 5.8174 5.8194 6.9556 6.9561 7.6662 7.6704 9.2470 9.2592 k = 0.0000 0.0000 0.0000 ( 4981 PWs) bands (ev): -8.8268 -8.8268 -7.7449 -7.7449 -7.7446 -7.7446 -7.6676 -7.6676 -3.9356 -3.9356 -3.9236 -3.9236 -3.2767 -3.2767 -3.2690 -3.2690 -3.2483 -3.2483 -1.4529 -1.4529 -0.0964 -0.0964 0.7780 0.7780 0.9198 0.9198 1.0022 1.0022 1.3410 1.3410 1.7729 1.7729 2.4912 2.4912 2.5757 2.5757 3.4757 3.4757 3.8311 3.8311 3.8670 3.8670 5.8093 5.8093 6.9524 6.9524 7.6648 7.6648 9.2655 9.2680 k = 0.0000 0.0000 0.0000 ( 4981 PWs) bands (ev): -8.8268 -8.8268 -7.7449 -7.7449 -7.7446 -7.7446 -7.6676 -7.6676 -3.9356 -3.9356 -3.9236 -3.9236 -3.2767 -3.2767 -3.2690 -3.2690 -3.2483 -3.2483 -1.4529 -1.4529 -0.0964 -0.0964 0.7780 0.7780 0.9198 0.9198 1.0022 1.0022 1.3410 1.3410 1.7729 1.7729 2.4912 2.4912 2.5757 2.5757 3.4757 3.4757 3.8311 3.8311 3.8670 3.8670 5.8093 5.8093 6.9524 6.9524 7.6648 7.6648 9.2659 9.2720 k = 0.0172 0.0131 0.0000 ( 4985 PWs) bands (ev): -8.8261 -8.8261 -7.7449 -7.7449 -7.7446 -7.7446 -7.6686 -7.6686 -3.9357 -3.9357 -3.9236 -3.9236 -3.2774 -3.2774 -3.2685 -3.2685 -3.2483 -3.2483 -1.4514 -1.4514 -0.1001 -0.1001 0.7825 0.7825 0.9210 0.9210 1.0035 1.0035 1.3373 1.3373 1.7774 1.7774 2.4921 2.4921 2.5767 2.5767 3.4730 3.4730 3.8267 3.8267 3.8651 3.8651 5.8154 5.8154 6.9558 6.9558 7.6654 7.6654 9.2448 9.2458 k = 0.0345 0.0262 0.0000 ( 4977 PWs) bands (ev): -8.8240 -8.8240 -7.7450 -7.7450 -7.7447 -7.7447 -7.6716 -7.6716 -3.9362 -3.9362 -3.9236 -3.9236 -3.2792 -3.2792 -3.2675 -3.2675 -3.2484 -3.2484 -1.4472 -1.4472 -0.1110 -0.1110 0.7957 0.7957 0.9246 0.9246 1.0076 1.0076 1.3266 1.3266 1.7907 1.7907 2.4949 2.4949 2.5795 2.5795 3.4646 3.4646 3.8137 3.8137 3.8596 3.8596 5.8334 5.8334 6.9660 6.9660 7.6672 7.6672 9.1932 9.1932 k = 0.0517 0.0394 0.0000 ( 4977 PWs) bands (ev): -8.8205 -8.8205 -7.7452 -7.7452 -7.7448 -7.7448 -7.6766 -7.6766 -3.9371 -3.9371 -3.9237 -3.9237 -3.2816 -3.2816 -3.2663 -3.2663 -3.2486 -3.2486 -1.4401 -1.4401 -0.1282 -0.1282 0.8164 0.8164 0.9307 0.9307 1.0144 1.0144 1.3103 1.3103 1.8113 1.8113 2.4996 2.4996 2.5842 2.5842 3.4506 3.4506 3.7929 3.7929 3.8506 3.8506 5.8627 5.8627 6.9828 6.9828 7.6700 7.6700 9.1203 9.1203 k = 0.0690 0.0525 0.0000 ( 4989 PWs) bands (ev): -8.8156 -8.8156 -7.7454 -7.7454 -7.7450 -7.7450 -7.6836 -7.6836 -3.9382 -3.9382 -3.9238 -3.9238 -3.2843 -3.2843 -3.2653 -3.2653 -3.2488 -3.2488 -1.4304 -1.4304 -0.1507 -0.1507 0.8427 0.8427 0.9397 0.9397 1.0243 1.0243 1.2900 1.2900 1.8379 1.8379 2.5060 2.5060 2.5906 2.5906 3.4309 3.4309 3.7657 3.7657 3.8380 3.8380 5.9022 5.9022 7.0060 7.0060 7.6739 7.6739 9.0331 9.0331 k = 0.0862 0.0656 0.0000 ( 5009 PWs) bands (ev): -8.8094 -8.8094 -7.7456 -7.7456 -7.7453 -7.7453 -7.6926 -7.6926 -3.9395 -3.9395 -3.9241 -3.9241 -3.2872 -3.2872 -3.2645 -3.2645 -3.2491 -3.2491 -1.4181 -1.4181 -0.1774 -0.1774 0.8720 0.8720 0.9523 0.9523 1.0377 1.0377 1.2672 1.2672 1.8690 1.8690 2.5142 2.5142 2.5987 2.5987 3.4054 3.4054 3.7334 3.7334 3.8222 3.8222 5.9508 5.9508 7.0353 7.0353 7.6786 7.6786 8.9358 8.9358 k = 0.1034 0.0787 0.0000 ( 5008 PWs) bands (ev): -8.8018 -8.8018 -7.7459 -7.7459 -7.7456 -7.7456 -7.7034 -7.7034 -3.9410 -3.9410 -3.9244 -3.9244 -3.2903 -3.2903 -3.2640 -3.2640 -3.2494 -3.2494 -1.4033 -1.4033 -0.2070 -0.2070 0.9006 0.9006 0.9700 0.9700 1.0551 1.0551 1.2433 1.2433 1.9034 1.9034 2.5240 2.5240 2.6085 2.6085 3.3741 3.3741 3.6977 3.6977 3.8032 3.8032 6.0071 6.0071 7.0702 7.0702 7.6841 7.6841 8.8314 8.8314 k = 0.1207 0.0918 0.0000 ( 5008 PWs) bands (ev): -8.7928 -8.7928 -7.7462 -7.7462 -7.7459 -7.7459 -7.7161 -7.7161 -3.9427 -3.9427 -3.9249 -3.9249 -3.2934 -3.2934 -3.2638 -3.2638 -3.2498 -3.2498 -1.3862 -1.3862 -0.2386 -0.2386 0.9246 0.9246 0.9935 0.9935 1.0779 1.0779 1.2199 1.2199 1.9402 1.9402 2.5352 2.5352 2.6196 2.6196 3.3372 3.3372 3.6599 3.6599 3.7814 3.7814 6.0701 6.0701 7.1102 7.1102 7.6902 7.6902 8.7219 8.7219 k = 0.1379 0.1050 0.0000 ( 5016 PWs) bands (ev): -8.7825 -8.7825 -7.7466 -7.7466 -7.7463 -7.7463 -7.7305 -7.7305 -3.9445 -3.9445 -3.9255 -3.9255 -3.2966 -3.2966 -3.2638 -3.2638 -3.2502 -3.2502 -1.3670 -1.3670 -0.2714 -0.2714 0.9429 0.9429 1.0204 1.0204 1.1066 1.1066 1.1992 1.1992 1.9787 1.9787 2.5478 2.5478 2.6320 2.6320 3.2952 3.2952 3.6212 3.6212 3.7571 3.7571 6.1385 6.1385 7.1545 7.1545 7.6965 7.6965 8.6091 8.6091 k = 0.1552 0.1181 0.0000 ( 5012 PWs) bands (ev): -8.7709 -8.7709 -7.7479 -7.7479 -7.7470 -7.7470 -7.7456 -7.7456 -3.9464 -3.9464 -3.9263 -3.9263 -3.2998 -3.2998 -3.2641 -3.2641 -3.2508 -3.2507 -1.3459 -1.3459 -0.3046 -0.3046 0.9566 0.9566 1.0473 1.0473 1.1365 1.1365 1.1878 1.1878 2.0184 2.0184 2.5616 2.5616 2.6453 2.6454 3.2487 3.2487 3.5825 3.5825 3.7304 3.7304 6.2112 6.2112 7.2020 7.2020 7.7031 7.7031 8.4943 8.4943 k = 0.1724 0.1312 0.0000 ( 5028 PWs) bands (ev): -8.7580 -8.7580 -7.7646 -7.7646 -7.7475 -7.7475 -7.7471 -7.7471 -3.9483 -3.9483 -3.9272 -3.9272 -3.3029 -3.3029 -3.2646 -3.2646 -3.2514 -3.2514 -1.3232 -1.3232 -0.3376 -0.3376 0.9657 0.9657 1.0727 1.0727 1.1462 1.1462 1.2079 1.2079 2.0589 2.0589 2.5763 2.5763 2.6594 2.6594 3.1986 3.1986 3.5444 3.5444 3.7019 3.7019 6.2875 6.2875 7.2516 7.2516 7.7097 7.7097 8.3788 8.3788 k = 0.1897 0.1443 0.0000 ( 5028 PWs) bands (ev): -8.7439 -8.7439 -7.7838 -7.7838 -7.7480 -7.7480 -7.7476 -7.7476 -3.9502 -3.9502 -3.9282 -3.9282 -3.3060 -3.3060 -3.2652 -3.2652 -3.2521 -3.2521 -1.2992 -1.2992 -0.3700 -0.3700 0.9692 0.9692 1.0968 1.0968 1.1434 1.1434 1.2519 1.2519 2.0996 2.0996 2.5916 2.5916 2.6738 2.6738 3.1462 3.1462 3.5071 3.5071 3.6718 3.6718 6.3663 6.3663 7.3015 7.3015 7.7163 7.7163 8.2635 8.2635 k = 0.2069 0.1574 0.0000 ( 5008 PWs) bands (ev): -8.7285 -8.7285 -7.8046 -7.8046 -7.7485 -7.7485 -7.7481 -7.7481 -3.9522 -3.9522 -3.9293 -3.9293 -3.3090 -3.3090 -3.2660 -3.2660 -3.2529 -3.2529 -1.2741 -1.2741 -0.4013 -0.4013 0.9660 0.9660 1.1190 1.1190 1.1467 1.1468 1.3019 1.3019 2.1404 2.1404 2.6073 2.6073 2.6879 2.6879 3.0927 3.0927 3.4711 3.4711 3.6406 3.6406 6.4470 6.4470 7.3497 7.3497 7.7233 7.7233 8.1495 8.1496 k = 0.2241 0.1706 0.0000 ( 4988 PWs) bands (ev): -8.7120 -8.7120 -7.8266 -7.8266 -7.7490 -7.7490 -7.7486 -7.7486 -3.9541 -3.9541 -3.9304 -3.9304 -3.3119 -3.3119 -3.2668 -3.2668 -3.2538 -3.2538 -1.2482 -1.2482 -0.4311 -0.4311 0.9566 0.9566 1.1381 1.1381 1.1606 1.1606 1.3538 1.3538 2.1809 2.1809 2.6231 2.6231 2.7012 2.7012 3.0394 3.0394 3.4366 3.4366 3.6088 3.6088 6.5288 6.5288 7.3933 7.3933 7.7314 7.7314 8.0377 8.0377 k = 0.2414 0.1837 0.0000 ( 4996 PWs) bands (ev): -8.6942 -8.6942 -7.8500 -7.8500 -7.7495 -7.7495 -7.7491 -7.7491 -3.9559 -3.9559 -3.9317 -3.9317 -3.3146 -3.3146 -3.2677 -3.2677 -3.2548 -3.2548 -1.2220 -1.2220 -0.4593 -0.4593 0.9426 0.9426 1.1559 1.1559 1.1823 1.1823 1.4058 1.4058 2.2209 2.2209 2.6385 2.6385 2.7127 2.7127 2.9878 2.9878 3.4040 3.4040 3.5769 3.5769 6.6107 6.6107 7.4288 7.4288 7.7413 7.7413 7.9289 7.9289 k = 0.2586 0.1968 0.0000 ( 5000 PWs) bands (ev): -8.6754 -8.6754 -7.8744 -7.8744 -7.7500 -7.7500 -7.7497 -7.7497 -3.9577 -3.9577 -3.9330 -3.9330 -3.3172 -3.3172 -3.2687 -3.2687 -3.2559 -3.2559 -1.1958 -1.1958 -0.4855 -0.4855 0.9259 0.9259 1.1755 1.1755 1.2070 1.2070 1.4569 1.4569 2.2600 2.2600 2.6531 2.6531 2.7211 2.7211 2.9396 2.9396 3.3738 3.3738 3.5453 3.5453 6.6916 6.6916 7.4534 7.4534 7.7510 7.7510 7.8258 7.8258 k = 0.2759 0.2099 0.0000 ( 4992 PWs) bands (ev): -8.6555 -8.6555 -7.8998 -7.8998 -7.7505 -7.7505 -7.7502 -7.7502 -3.9594 -3.9594 -3.9344 -3.9344 -3.3197 -3.3197 -3.2696 -3.2696 -3.2571 -3.2571 -1.1699 -1.1699 -0.5095 -0.5095 0.9080 0.9080 1.1971 1.1971 1.2329 1.2329 1.5063 1.5063 2.2980 2.2980 2.6662 2.6662 2.7246 2.7246 2.8972 2.8972 3.3464 3.3464 3.5147 3.5147 6.7700 6.7700 7.4658 7.4658 7.7114 7.7114 7.7400 7.7400 k = 0.2931 0.2231 0.0000 ( 4992 PWs) bands (ev): -8.6347 -8.6347 -7.9262 -7.9262 -7.7510 -7.7510 -7.7507 -7.7507 -3.9610 -3.9610 -3.9358 -3.9358 -3.3219 -3.3219 -3.2705 -3.2705 -3.2584 -3.2584 -1.1449 -1.1449 -0.5311 -0.5311 0.8898 0.8898 1.2202 1.2202 1.2591 1.2591 1.5532 1.5532 2.3346 2.3346 2.6768 2.6768 2.7212 2.7212 2.8633 2.8633 3.3225 3.3225 3.4854 3.4854 6.8437 6.8437 7.4682 7.4682 7.6189 7.6189 7.6471 7.6471 k = 0.3103 0.2362 0.0000 ( 4976 PWs) bands (ev): -8.6129 -8.6129 -7.9532 -7.9532 -7.7515 -7.7515 -7.7512 -7.7512 -3.9625 -3.9625 -3.9371 -3.9371 -3.3240 -3.3240 -3.2713 -3.2713 -3.2597 -3.2597 -1.1210 -1.1210 -0.5501 -0.5501 0.8719 0.8719 1.2442 1.2442 1.2853 1.2853 1.5969 1.5969 2.3697 2.3697 2.6817 2.6817 2.7124 2.7124 2.8396 2.8396 3.3027 3.3027 3.4581 3.4581 6.9095 6.9095 7.4648 7.4648 7.5291 7.5291 7.5567 7.5567 k = 0.3276 0.2493 0.0000 ( 4968 PWs) bands (ev): -8.5902 -8.5902 -7.9809 -7.9809 -7.7520 -7.7520 -7.7516 -7.7516 -3.9639 -3.9639 -3.9385 -3.9385 -3.3260 -3.3260 -3.2721 -3.2721 -3.2611 -3.2611 -1.0988 -1.0988 -0.5664 -0.5664 0.8548 0.8548 1.2686 1.2686 1.3110 1.3110 1.6369 1.6369 2.4028 2.4028 2.6721 2.6721 2.7083 2.7083 2.8242 2.8242 3.2873 3.2873 3.4332 3.4332 6.9630 6.9630 7.4334 7.4334 7.4638 7.4638 7.4835 7.4835 k = 0.3448 0.2624 0.0000 ( 4988 PWs) bands (ev): -8.5669 -8.5669 -8.0091 -8.0091 -7.7525 -7.7525 -7.7521 -7.7521 -3.9651 -3.9651 -3.9398 -3.9398 -3.3277 -3.3277 -3.2728 -3.2728 -3.2625 -3.2625 -1.0785 -1.0785 -0.5800 -0.5800 0.8387 0.8387 1.2928 1.2928 1.3360 1.3360 1.6726 1.6726 2.4337 2.4337 2.6512 2.6512 2.7102 2.7102 2.8130 2.8130 3.2766 3.2766 3.4110 3.4110 6.9995 6.9995 7.3571 7.3571 7.3890 7.3890 7.4876 7.4876 k = 0.3621 0.2755 0.0000 ( 4988 PWs) bands (ev): -8.5428 -8.5428 -8.0375 -8.0375 -7.7529 -7.7529 -7.7525 -7.7525 -3.9662 -3.9662 -3.9410 -3.9410 -3.3292 -3.3292 -3.2733 -3.2733 -3.2639 -3.2639 -1.0604 -1.0604 -0.5908 -0.5908 0.8239 0.8239 1.3163 1.3163 1.3598 1.3599 1.7037 1.7037 2.4623 2.4623 2.6287 2.6287 2.7120 2.7120 2.8030 2.8030 3.2703 3.2703 3.3918 3.3918 7.0169 7.0169 7.2841 7.2841 7.3164 7.3164 7.5148 7.5148 k = 0.3793 0.2887 0.0000 ( 4980 PWs) bands (ev): -8.5184 -8.5184 -8.0659 -8.0659 -7.7533 -7.7533 -7.7529 -7.7529 -3.9672 -3.9672 -3.9422 -3.9422 -3.3306 -3.3306 -3.2738 -3.2738 -3.2652 -3.2652 -1.0448 -1.0448 -0.5990 -0.5990 0.8105 0.8105 1.3387 1.3387 1.3821 1.3821 1.7301 1.7301 2.4880 2.4880 2.6085 2.6085 2.7120 2.7120 2.7928 2.7928 3.2680 3.2680 3.3756 3.3756 7.0174 7.0174 7.2178 7.2178 7.2506 7.2506 7.5563 7.5563 k = 0.3966 0.3018 0.0000 ( 4980 PWs) bands (ev): -8.4937 -8.4937 -8.0942 -8.0942 -7.7536 -7.7536 -7.7532 -7.7532 -3.9680 -3.9680 -3.9432 -3.9432 -3.3318 -3.3318 -3.2741 -3.2741 -3.2666 -3.2666 -1.0317 -1.0317 -0.6049 -0.6049 0.7986 0.7986 1.3594 1.3594 1.4024 1.4024 1.7517 1.7517 2.5108 2.5108 2.5918 2.5918 2.7102 2.7102 2.7821 2.7821 3.2689 3.2689 3.3622 3.3622 7.0066 7.0066 7.1591 7.1591 7.1924 7.1924 7.6044 7.6044 k = 0.4138 0.3149 0.0000 ( 4980 PWs) bands (ev): -8.4691 -8.4691 -8.1219 -8.1219 -7.7539 -7.7539 -7.7535 -7.7535 -3.9687 -3.9687 -3.9441 -3.9441 -3.3328 -3.3328 -3.2742 -3.2742 -3.2678 -3.2678 -1.0210 -1.0210 -0.6087 -0.6087 0.7883 0.7883 1.3780 1.3780 1.4204 1.4204 1.7689 1.7689 2.5301 2.5301 2.5791 2.5791 2.7070 2.7070 2.7713 2.7713 3.2722 3.2722 3.3515 3.3515 6.9901 6.9901 7.1084 7.1084 7.1423 7.1423 7.6438 7.6438 k = 0.4310 0.3280 0.0000 ( 5000 PWs) bands (ev): -8.4451 -8.4451 -8.1485 -8.1485 -7.7541 -7.7541 -7.7538 -7.7538 -3.9693 -3.9693 -3.9449 -3.9449 -3.3336 -3.3336 -3.2743 -3.2743 -3.2690 -3.2690 -1.0128 -1.0128 -0.6110 -0.6110 0.7798 0.7798 1.3940 1.3940 1.4356 1.4356 1.7819 1.7819 2.5450 2.5450 2.5711 2.5711 2.7030 2.7030 2.7612 2.7612 3.2768 3.2768 3.3429 3.3429 6.9723 6.9723 7.0663 7.0663 7.1007 7.1007 7.6556 7.6556 k = 0.4483 0.3411 0.0000 ( 4988 PWs) bands (ev): -8.4225 -8.4225 -8.1730 -8.1730 -7.7543 -7.7543 -7.7540 -7.7540 -3.9698 -3.9698 -3.9455 -3.9455 -3.3342 -3.3342 -3.2741 -3.2741 -3.2701 -3.2701 -1.0067 -1.0067 -0.6121 -0.6121 0.7731 0.7731 1.4070 1.4070 1.4479 1.4479 1.7913 1.7913 2.5525 2.5525 2.5700 2.5700 2.6990 2.6990 2.7524 2.7524 3.2820 3.2820 3.3361 3.3361 6.9561 6.9561 7.0332 7.0332 7.0680 7.0680 7.6502 7.6502 k = 0.4655 0.3543 0.0000 ( 4984 PWs) bands (ev): -8.4031 -8.4031 -8.1940 -8.1940 -7.7545 -7.7545 -7.7541 -7.7541 -3.9701 -3.9701 -3.9460 -3.9460 -3.3346 -3.3346 -3.2738 -3.2738 -3.2711 -3.2711 -1.0025 -1.0025 -0.6125 -0.6125 0.7682 0.7682 1.4165 1.4165 1.4568 1.4568 1.7976 1.7976 2.5527 2.5527 2.5751 2.5751 2.6957 2.6957 2.7456 2.7456 3.2868 3.2868 3.3310 3.3310 6.9434 6.9434 7.0092 7.0092 7.0444 7.0444 7.6423 7.6423 k = 0.4828 0.3674 0.0000 ( 4992 PWs) bands (ev): -8.3891 -8.3891 -8.2088 -8.2088 -7.7545 -7.7545 -7.7542 -7.7542 -3.9702 -3.9702 -3.9462 -3.9462 -3.3349 -3.3349 -3.2734 -3.2734 -3.2720 -3.2720 -1.0001 -1.0001 -0.6126 -0.6126 0.7653 0.7653 1.4223 1.4223 1.4622 1.4622 1.8012 1.8012 2.5515 2.5515 2.5796 2.5796 2.6935 2.6935 2.7412 2.7412 3.2904 3.2904 3.3276 3.3276 6.9353 6.9353 6.9947 6.9947 7.0301 7.0301 7.6366 7.6366 k = 0.5000 0.3805 0.0000 ( 5000 PWs) bands (ev): -8.3839 -8.3839 -8.2143 -8.2143 -7.7546 -7.7546 -7.7542 -7.7542 -3.9703 -3.9703 -3.9463 -3.9463 -3.3350 -3.3350 -3.2730 -3.2730 -3.2725 -3.2725 -0.9993 -0.9993 -0.6126 -0.6126 0.7643 0.7643 1.4243 1.4243 1.4641 1.4641 1.8024 1.8024 2.5511 2.5511 2.5813 2.5813 2.6927 2.6927 2.7397 2.7397 3.2917 3.2917 3.3263 3.3263 6.9326 6.9326 6.9899 6.9899 7.0254 7.0254 7.6346 7.6346 k = 0.5000 0.3805 0.0000 ( 5000 PWs) bands (ev): -8.3839 -8.3839 -8.2143 -8.2143 -7.7546 -7.7546 -7.7542 -7.7542 -3.9703 -3.9703 -3.9463 -3.9463 -3.3350 -3.3350 -3.2730 -3.2730 -3.2725 -3.2725 -0.9993 -0.9993 -0.6126 -0.6126 0.7643 0.7643 1.4243 1.4243 1.4641 1.4641 1.8024 1.8024 2.5511 2.5511 2.5813 2.5813 2.6927 2.6927 2.7397 2.7397 3.2917 3.2917 3.3263 3.3263 6.9326 6.9326 6.9899 6.9899 7.0254 7.0254 7.6346 7.6346 k = 0.4911 0.3922 0.0147 ( 5004 PWs) bands (ev): -8.3835 -8.3835 -8.2142 -8.2141 -7.7551 -7.7551 -7.7543 -7.7542 -3.9710 -3.9696 -3.9477 -3.9451 -3.3369 -3.3330 -3.2751 -3.2741 -3.2716 -3.2704 -0.9992 -0.9963 -0.6125 -0.6122 0.7577 0.7640 1.4194 1.4300 1.4617 1.4675 1.7993 1.8051 2.5210 2.5597 2.5782 2.5846 2.6915 2.7016 2.7194 2.7698 3.2883 3.2946 3.3246 3.3280 6.9342 6.9369 6.9891 6.9936 7.0266 7.0272 7.6370 7.6418 k = 0.4822 0.4038 0.0293 ( 4988 PWs) bands (ev): -8.3824 -8.3824 -8.2137 -8.2136 -7.7572 -7.7570 -7.7541 -7.7540 -3.9716 -3.9688 -3.9492 -3.9440 -3.3388 -3.3309 -3.2776 -3.2753 -3.2704 -3.2684 -0.9960 -0.9901 -0.6117 -0.6112 0.7444 0.7567 1.4155 1.4346 1.4604 1.4735 1.7959 1.8073 2.4821 2.5437 2.5704 2.5878 2.6958 2.7045 2.7249 2.8057 3.2836 3.2956 3.3234 3.3309 6.9417 6.9470 6.9906 6.9998 7.0317 7.0327 7.6488 7.6581 k = 0.4734 0.4155 0.0440 ( 4992 PWs) bands (ev): -8.3807 -8.3806 -8.2129 -8.2127 -7.7605 -7.7603 -7.7537 -7.7536 -3.9721 -3.9679 -3.9508 -3.9431 -3.3406 -3.3289 -3.2804 -3.2765 -3.2692 -3.2666 -0.9899 -0.9809 -0.6103 -0.6095 0.7252 0.7429 1.4107 1.4355 1.4612 1.4845 1.7922 1.8091 2.4393 2.5124 2.5603 2.5875 2.6974 2.7004 2.7554 2.8439 3.2758 3.2917 3.3254 3.3374 6.9549 6.9628 6.9932 7.0066 7.0423 7.0440 7.6696 7.6829 k = 0.4645 0.4272 0.0587 ( 4982 PWs) bands (ev): -8.3782 -8.3781 -8.2117 -8.2115 -7.7651 -7.7648 -7.7531 -7.7529 -3.9725 -3.9671 -3.9525 -3.9422 -3.3424 -3.3268 -3.2832 -3.2777 -3.2680 -3.2651 -0.9811 -0.9690 -0.6080 -0.6071 0.7010 0.7234 1.4034 1.4322 1.4648 1.5000 1.7883 1.8103 2.3948 2.4734 2.5492 2.5852 2.6915 2.7034 2.7913 2.8829 3.2640 3.2821 3.3320 3.3482 6.9731 6.9837 6.9973 7.0126 7.0598 7.0624 7.6984 7.7150 k = 0.4556 0.4388 0.0733 ( 4982 PWs) bands (ev): -8.3750 -8.3750 -8.2103 -8.2100 -7.7709 -7.7706 -7.7524 -7.7522 -3.9728 -3.9662 -3.9543 -3.9414 -3.3440 -3.3247 -3.2860 -3.2788 -3.2669 -3.2637 -0.9701 -0.9545 -0.6048 -0.6036 0.6729 0.6991 1.3930 1.4252 1.4714 1.5184 1.7842 1.8110 2.3496 2.4312 2.5375 2.5819 2.6854 2.7046 2.8287 2.9215 3.2482 3.2683 3.3425 3.3627 6.9913 7.0054 7.0124 7.0186 7.0842 7.0876 7.7340 7.7532 k = 0.4467 0.4505 0.0880 ( 4990 PWs) bands (ev): -8.3712 -8.3712 -8.2086 -8.2082 -7.7779 -7.7775 -7.7515 -7.7512 -3.9730 -3.9655 -3.9562 -3.9407 -3.3457 -3.3227 -3.2889 -3.2798 -3.2657 -3.2626 -0.9573 -0.9382 -0.6004 -0.5986 0.6416 0.6711 1.3795 1.4152 1.4799 1.5381 1.7798 1.8113 2.3043 2.3877 2.5254 2.5783 2.6781 2.7037 2.8660 2.9590 3.2292 3.2516 3.3564 3.3802 7.0010 7.0244 7.0332 7.0432 7.1148 7.1188 7.7751 7.7961 k = 0.4378 0.4622 0.1026 ( 4990 PWs) bands (ev): -8.3668 -8.3668 -8.2066 -8.2062 -7.7858 -7.7854 -7.7505 -7.7502 -3.9731 -3.9648 -3.9580 -3.9401 -3.3472 -3.3207 -3.2916 -3.2808 -3.2647 -3.2615 -0.9433 -0.9204 -0.5946 -0.5918 0.6082 0.6403 1.3637 1.4026 1.4888 1.5578 1.7750 1.8115 2.2597 2.3444 2.5136 2.5751 2.6689 2.7005 2.9019 2.9946 3.2084 3.2331 3.3731 3.4000 7.0101 7.0336 7.0670 7.0794 7.1510 7.1553 7.8200 7.8421 k = 0.4290 0.4739 0.1173 ( 4993 PWs) bands (ev): -8.3619 -8.3618 -8.2045 -8.2040 -7.7947 -7.7942 -7.7493 -7.7489 -3.9731 -3.9646 -3.9596 -3.9394 -3.3486 -3.3190 -3.2941 -3.2816 -3.2637 -3.2606 -0.9290 -0.9022 -0.5867 -0.5825 0.5734 0.6077 1.3459 1.3877 1.4971 1.5765 1.7699 1.8115 2.2160 2.3021 2.5023 2.5726 2.6575 2.6947 2.9350 3.0264 3.1881 3.2145 3.3919 3.4218 7.0215 7.0449 7.1062 7.1200 7.1923 7.1967 7.8670 7.8896 k = 0.4201 0.4855 0.1320 ( 4993 PWs) bands (ev): -8.3565 -8.3564 -8.2022 -8.2016 -7.8043 -7.8038 -7.7479 -7.7475 -3.9730 -3.9651 -3.9605 -3.9387 -3.3500 -3.3175 -3.2963 -3.2823 -3.2629 -3.2597 -0.9151 -0.8844 -0.5763 -0.5702 0.5380 0.5740 1.3264 1.3708 1.5036 1.5930 1.7644 1.8117 2.1739 2.2616 2.4919 2.5712 2.6438 2.6864 2.9634 3.0496 3.1731 3.1982 3.4125 3.4450 7.0362 7.0592 7.1497 7.1646 7.2380 7.2424 7.9143 7.9369 k = 0.4112 0.4972 0.1466 ( 4993 PWs) bands (ev): -8.3507 -8.3506 -8.1997 -8.1991 -7.8146 -7.8140 -7.7464 -7.7460 -3.9728 -3.9665 -3.9605 -3.9380 -3.3513 -3.3165 -3.2980 -3.2828 -3.2622 -3.2589 -0.9027 -0.8681 -0.5624 -0.5544 0.5025 0.5401 1.3055 1.3519 1.5078 1.6062 1.7588 1.8120 2.1338 2.2236 2.4829 2.5710 2.6279 2.6758 2.9832 3.0554 3.1718 3.1891 3.4342 3.4691 7.0543 7.0766 7.1968 7.2126 7.2874 7.2919 7.9597 7.9827 k = 0.4023 0.5089 0.1613 ( 4997 PWs) bands (ev): -8.3447 -8.3446 -8.1971 -8.1965 -7.8253 -7.8246 -7.7448 -7.7444 -3.9725 -3.9683 -3.9602 -3.9373 -3.3525 -3.3160 -3.2991 -3.2830 -3.2617 -3.2579 -0.8925 -0.8544 -0.5446 -0.5347 0.4677 0.5064 1.2835 1.3314 1.5090 1.6147 1.7535 1.8122 2.0963 2.1887 2.4755 2.5715 2.6109 2.6629 2.9901 3.0414 3.1807 3.1979 3.4567 3.4938 7.0760 7.0975 7.2468 7.2637 7.3398 7.3449 8.0019 8.0261 k = 0.3934 0.5205 0.1760 ( 4989 PWs) bands (ev): -8.3386 -8.3384 -8.1945 -8.1938 -7.8361 -7.8355 -7.7431 -7.7426 -3.9723 -3.9701 -3.9597 -3.9365 -3.3536 -3.3160 -3.2995 -3.2828 -3.2615 -3.2570 -0.8852 -0.8443 -0.5224 -0.5107 0.4341 0.4736 1.2606 1.3094 1.5070 1.6176 1.7488 1.8123 2.0619 2.1574 2.4698 2.5694 2.5967 2.6483 2.9819 3.0164 3.1943 3.2237 3.4795 3.5186 7.1013 7.1218 7.2992 7.3169 7.3942 7.4009 8.0397 8.0662 k = 0.3846 0.5322 0.1906 ( 4985 PWs) bands (ev): -8.3326 -8.3324 -8.1917 -8.1910 -7.8470 -7.8464 -7.7412 -7.7407 -3.9730 -3.9710 -3.9591 -3.9356 -3.3546 -3.3166 -3.2995 -3.2824 -3.2613 -3.2560 -0.8812 -0.8381 -0.4957 -0.4825 0.4023 0.4424 1.2371 1.2861 1.5019 1.6143 1.7448 1.8118 2.0311 2.1298 2.4660 2.5566 2.5940 2.6325 2.9611 2.9872 3.2157 3.2544 3.5021 3.5431 7.1302 7.1495 7.3530 7.3716 7.4501 7.4592 8.0735 8.1028 k = 0.3757 0.5439 0.2053 ( 4993 PWs) bands (ev): -8.3270 -8.3267 -8.1888 -8.1881 -7.8576 -7.8570 -7.7392 -7.7386 -3.9747 -3.9708 -3.9584 -3.9347 -3.3555 -3.3174 -3.2992 -3.2815 -3.2613 -3.2549 -0.8805 -0.8361 -0.4651 -0.4507 0.3729 0.4132 1.2129 1.2616 1.4937 1.6050 1.7408 1.8102 2.0044 2.1058 2.4636 2.5367 2.6001 2.6161 2.9319 2.9566 3.2417 3.2861 3.5242 3.5670 7.1624 7.1805 7.4076 7.4271 7.5066 7.5190 8.1040 8.1358 k = 0.3668 0.5555 0.2200 ( 4987 PWs) bands (ev): -8.3221 -8.3218 -8.1856 -8.1849 -7.8677 -7.8671 -7.7371 -7.7365 -3.9765 -3.9704 -3.9577 -3.9337 -3.3562 -3.3184 -3.2987 -3.2802 -3.2614 -3.2539 -0.8831 -0.8380 -0.4315 -0.4160 0.3467 0.3868 1.1883 1.2360 1.4829 1.5909 1.7362 1.8070 1.9819 2.0850 2.4613 2.5167 2.5998 2.6107 2.8982 2.9253 3.2695 3.3170 3.5455 3.5900 7.1979 7.2147 7.4620 7.4823 7.5630 7.5793 8.1323 8.1653 k = 0.3579 0.5672 0.2346 ( 4977 PWs) bands (ev): -8.3183 -8.3179 -8.1819 -8.1812 -7.8770 -7.8764 -7.7349 -7.7343 -3.9782 -3.9700 -3.9568 -3.9327 -3.3568 -3.3193 -3.2981 -3.2786 -3.2616 -3.2529 -0.8887 -0.8436 -0.3958 -0.3792 0.3243 0.3638 1.1634 1.2094 1.4698 1.5733 1.7304 1.8018 1.9634 2.0664 2.4558 2.5015 2.5854 2.6239 2.8623 2.8937 3.2972 3.3464 3.5658 3.6118 7.2365 7.2520 7.5155 7.5366 7.6180 7.6390 8.1593 8.1916 k = 0.3490 0.5789 0.2493 ( 4969 PWs) bands (ev): -8.3161 -8.3157 -8.1776 -8.1769 -7.8853 -7.8848 -7.7327 -7.7320 -3.9797 -3.9695 -3.9558 -3.9317 -3.3571 -3.3200 -3.2976 -3.2768 -3.2619 -3.2519 -0.8971 -0.8524 -0.3595 -0.3417 0.3067 0.3451 1.1381 1.1821 1.4549 1.5534 1.7237 1.7944 1.9482 2.0488 2.4431 2.4952 2.5738 2.6397 2.8255 2.8623 3.3234 3.3734 3.5849 3.6322 7.2779 7.2920 7.5673 7.5891 7.6707 7.6970 8.1857 8.2154 k = 0.3402 0.5906 0.2640 ( 4969 PWs) bands (ev): -8.3159 -8.3154 -8.1723 -8.1716 -7.8924 -7.8919 -7.7303 -7.7296 -3.9811 -3.9691 -3.9546 -3.9307 -3.3573 -3.3207 -3.2970 -3.2747 -3.2622 -3.2510 -0.9081 -0.8642 -0.3241 -0.3046 0.2950 0.3315 1.1126 1.1540 1.4386 1.5326 1.7163 1.7852 1.9348 2.0312 2.4257 2.4947 2.5671 2.6580 2.7885 2.8318 3.3472 3.3973 3.6028 3.6510 7.3218 7.3347 7.6167 7.6391 7.7201 7.7522 8.2117 8.2380 k = 0.3313 0.6022 0.2786 ( 4961 PWs) bands (ev): -8.3180 -8.3175 -8.1658 -8.1652 -7.8981 -7.8976 -7.7279 -7.7272 -3.9823 -3.9687 -3.9533 -3.9297 -3.3572 -3.3211 -3.2964 -3.2725 -3.2626 -3.2500 -0.9212 -0.8785 -0.2910 -0.2697 0.2903 0.3243 1.0868 1.1254 1.4215 1.5115 1.7088 1.7749 1.9214 2.0124 2.4078 2.4949 2.5673 2.6786 2.7522 2.8030 3.3680 3.4175 3.6194 3.6681 7.3678 7.3796 7.6629 7.6857 7.7652 7.8036 8.2369 8.2609 k = 0.3224 0.6139 0.2933 ( 4967 PWs) bands (ev): -8.3228 -8.3223 -8.1581 -8.1574 -7.9023 -7.9019 -7.7254 -7.7247 -3.9833 -3.9682 -3.9519 -3.9288 -3.3569 -3.3214 -3.2956 -3.2701 -3.2630 -3.2491 -0.9363 -0.8950 -0.2619 -0.2382 0.2937 0.3244 1.0608 1.0966 1.4037 1.4911 1.7019 1.7641 1.9066 1.9918 2.3913 2.4933 2.5750 2.7004 2.7180 2.7766 3.3851 3.4335 3.6346 3.6833 7.4154 7.4264 7.7055 7.7281 7.8060 7.8505 8.2601 8.2859 k = 0.3224 0.6139 0.2933 ( 4967 PWs) bands (ev): -8.3228 -8.3223 -8.1581 -8.1574 -7.9023 -7.9019 -7.7254 -7.7247 -3.9833 -3.9682 -3.9519 -3.9288 -3.3569 -3.3214 -3.2956 -3.2701 -3.2630 -3.2491 -0.9363 -0.8950 -0.2619 -0.2382 0.2937 0.3244 1.0608 1.0966 1.4037 1.4911 1.7019 1.7641 1.9066 1.9918 2.3913 2.4933 2.5750 2.7004 2.7180 2.7766 3.3851 3.4335 3.6346 3.6833 7.4154 7.4264 7.7055 7.7281 7.8060 7.8505 8.2601 8.2859 k = 0.3034 0.6083 0.3003 ( 4969 PWs) bands (ev): -8.3273 -8.3268 -8.1528 -8.1522 -7.9032 -7.9028 -7.7243 -7.7236 -3.9836 -3.9681 -3.9510 -3.9283 -3.3566 -3.3214 -3.2952 -3.2690 -3.2632 -3.2487 -0.9455 -0.9051 -0.2484 -0.2237 0.2992 0.3281 1.0461 1.0804 1.3948 1.4804 1.6996 1.7592 1.9013 1.9822 2.3818 2.4900 2.5789 2.7017 2.7148 2.7692 3.3898 3.4364 3.6434 3.6907 7.4413 7.4521 7.7186 7.7418 7.8316 7.8771 8.2659 8.2935 k = 0.2845 0.6027 0.3073 ( 4968 PWs) bands (ev): -8.3343 -8.3339 -8.1461 -8.1455 -7.9025 -7.9022 -7.7235 -7.7228 -3.9838 -3.9680 -3.9499 -3.9278 -3.3562 -3.3215 -3.2946 -3.2679 -3.2632 -3.2483 -0.9571 -0.9184 -0.2334 -0.2080 0.3081 0.3349 1.0276 1.0602 1.3848 1.4673 1.6988 1.7552 1.9006 1.9749 2.3692 2.4825 2.5804 2.6969 2.7237 2.7694 3.3898 3.4328 3.6548 3.6984 7.4724 7.4829 7.7237 7.7480 7.8669 7.9115 8.2648 8.2935 k = 0.2655 0.5971 0.3144 ( 4980 PWs) bands (ev): -8.3429 -8.3424 -8.1390 -8.1385 -7.9002 -7.8999 -7.7229 -7.7222 -3.9839 -3.9681 -3.9486 -3.9273 -3.3555 -3.3217 -3.2937 -3.2669 -3.2630 -3.2478 -0.9710 -0.9343 -0.2169 -0.1913 0.3197 0.3444 1.0056 1.0368 1.3732 1.4509 1.6990 1.7528 1.9033 1.9705 2.3553 2.4714 2.5807 2.6968 2.7333 2.7757 3.3854 3.4242 3.6668 3.7057 7.5077 7.5184 7.7265 7.7514 7.9063 7.9497 8.2601 8.2895 k = 0.2465 0.5915 0.3214 ( 4978 PWs) bands (ev): -8.3522 -8.3518 -8.1323 -8.1318 -7.8962 -7.8960 -7.7227 -7.7220 -3.9838 -3.9684 -3.9471 -3.9267 -3.3547 -3.3220 -3.2927 -3.2663 -3.2624 -3.2473 -0.9866 -0.9522 -0.1988 -0.1735 0.3333 0.3560 0.9811 1.0113 1.3590 1.4305 1.7003 1.7530 1.9078 1.9700 2.3417 2.4579 2.5808 2.6995 2.7438 2.7866 3.3772 3.4119 3.6778 3.7117 7.5458 7.5574 7.7311 7.7555 7.9468 7.9894 8.2550 8.2850 k = 0.2276 0.5859 0.3284 ( 4979 PWs) bands (ev): -8.3617 -8.3614 -8.1265 -8.1260 -7.8905 -7.8904 -7.7229 -7.7222 -3.9836 -3.9687 -3.9454 -3.9262 -3.3537 -3.3224 -3.2915 -3.2660 -3.2613 -3.2468 -1.0032 -0.9715 -0.1793 -0.1548 0.3484 0.3690 0.9549 0.9848 1.3415 1.4058 1.7032 1.7559 1.9128 1.9742 2.3296 2.4428 2.5816 2.7027 2.7562 2.8010 3.3657 3.3969 3.6865 3.7157 7.5842 7.5976 7.7406 7.7635 7.9866 8.0286 8.2519 8.2825 k = 0.2086 0.5803 0.3355 ( 4984 PWs) bands (ev): -8.3712 -8.3708 -8.1218 -8.1214 -7.8833 -7.8832 -7.7235 -7.7228 -3.9833 -3.9691 -3.9436 -3.9256 -3.3526 -3.3229 -3.2901 -3.2661 -3.2599 -3.2463 -1.0206 -0.9915 -0.1588 -0.1354 0.3644 0.3832 0.9279 0.9584 1.3203 1.3771 1.7081 1.7612 1.9179 1.9826 2.3194 2.4267 2.5838 2.7053 2.7711 2.8180 3.3512 3.3797 3.6922 3.7174 7.6191 7.6355 7.7585 7.7794 8.0244 8.0654 8.2536 8.2843 k = 0.1896 0.5747 0.3425 ( 4990 PWs) bands (ev): -8.3802 -8.3799 -8.1182 -8.1178 -7.8749 -7.8749 -7.7245 -7.7238 -3.9829 -3.9696 -3.9418 -3.9252 -3.3514 -3.3236 -3.2886 -3.2662 -3.2584 -3.2459 -1.0380 -1.0118 -0.1377 -0.1157 0.3808 0.3980 0.9011 0.9328 1.2954 1.3450 1.7150 1.7683 1.9234 1.9941 2.3110 2.4100 2.5880 2.7073 2.7883 2.8367 3.3341 3.3607 3.6947 3.7167 7.6467 7.6662 7.7880 7.8072 8.0589 8.0976 8.2627 8.2923 k = 0.1707 0.5691 0.3495 ( 4988 PWs) bands (ev): -8.3888 -8.3885 -8.1156 -8.1153 -7.8656 -7.8655 -7.7260 -7.7253 -3.9825 -3.9701 -3.9399 -3.9247 -3.3501 -3.3244 -3.2869 -3.2665 -3.2568 -3.2455 -1.0551 -1.0316 -0.1162 -0.0958 0.3969 0.4132 0.8752 0.9089 1.2671 1.3107 1.7237 1.7764 1.9301 2.0073 2.3040 2.3926 2.5946 2.7093 2.8074 2.8565 3.3150 3.3401 3.6938 3.7136 7.6669 7.6875 7.8289 7.8475 8.0892 8.1233 8.2814 8.3079 k = 0.1517 0.5635 0.3566 ( 4990 PWs) bands (ev): -8.3967 -8.3964 -8.1139 -8.1136 -7.8556 -7.8555 -7.7281 -7.7274 -3.9819 -3.9707 -3.9381 -3.9244 -3.3487 -3.3253 -3.2852 -3.2668 -3.2553 -3.2452 -1.0713 -1.0507 -0.0949 -0.0763 0.4124 0.4284 0.8511 0.8871 1.2363 1.2753 1.7335 1.7847 1.9386 2.0213 2.2975 2.3745 2.6040 2.7121 2.8277 2.8769 3.2942 3.3181 3.6901 3.7083 7.6821 7.7021 7.8767 7.8954 8.1155 8.1428 8.3096 8.3317 k = 0.1327 0.5579 0.3636 ( 4989 PWs) bands (ev): -8.4038 -8.4035 -8.1129 -8.1126 -7.8453 -7.8451 -7.7306 -7.7299 -3.9813 -3.9713 -3.9363 -3.9242 -3.3472 -3.3264 -3.2834 -3.2672 -3.2538 -3.2449 -1.0865 -1.0686 -0.0742 -0.0576 0.4270 0.4432 0.8295 0.8677 1.2043 1.2400 1.7438 1.7923 1.9495 2.0355 2.2904 2.3561 2.6162 2.7160 2.8487 2.8974 3.2723 3.2948 3.6841 3.7012 7.6947 7.7129 7.9262 7.9453 8.1395 8.1592 8.3449 8.3633 k = 0.1138 0.5523 0.3706 ( 4985 PWs) bands (ev): -8.4100 -8.4098 -8.1124 -8.1122 -7.8349 -7.8347 -7.7337 -7.7330 -3.9807 -3.9719 -3.9345 -3.9241 -3.3457 -3.3275 -3.2817 -3.2677 -3.2523 -3.2447 -1.1001 -1.0849 -0.0547 -0.0402 0.4404 0.4570 0.8111 0.8508 1.1724 1.2057 1.7542 1.7986 1.9630 2.0495 2.2820 2.3375 2.6312 2.7212 2.8702 2.9174 3.2498 3.2706 3.6765 3.6926 7.7059 7.7219 7.9725 7.9914 8.1635 8.1769 8.3845 8.4011 k = 0.0948 0.5467 0.3777 ( 4986 PWs) bands (ev): -8.4154 -8.4153 -8.1122 -8.1120 -7.8247 -7.8245 -7.7372 -7.7366 -3.9800 -3.9726 -3.9328 -3.9241 -3.3441 -3.3287 -3.2799 -3.2682 -3.2510 -3.2446 -1.1119 -1.0993 -0.0368 -0.0245 0.4526 0.4692 0.7965 0.8363 1.1424 1.1733 1.7641 1.8030 1.9791 2.0626 2.2719 2.3193 2.6481 2.7272 2.8917 2.9364 3.2274 3.2458 3.6684 3.6831 7.7160 7.7295 8.0115 8.0291 8.1893 8.1994 8.4268 8.4432 k = 0.0759 0.5411 0.3847 ( 4984 PWs) bands (ev): -8.4198 -8.4197 -8.1122 -8.1121 -7.8151 -7.8148 -7.7412 -7.7406 -3.9793 -3.9733 -3.9313 -3.9242 -3.3425 -3.3301 -3.2782 -3.2688 -3.2497 -3.2447 -1.1216 -1.1117 -0.0211 -0.0110 0.4635 0.4793 0.7862 0.8239 1.1158 1.1436 1.7732 1.8054 1.9973 2.0740 2.2607 2.3018 2.6664 2.7329 2.9131 2.9536 3.2059 3.2214 3.6606 3.6735 7.7250 7.7358 8.0408 8.0558 8.2166 8.2269 8.4708 8.4874 k = 0.0569 0.5356 0.3917 ( 4983 PWs) bands (ev): -8.4233 -8.4232 -8.1123 -8.1122 -7.8062 -7.8059 -7.7454 -7.7449 -3.9785 -3.9740 -3.9298 -3.9245 -3.3409 -3.3315 -3.2766 -3.2696 -3.2486 -3.2448 -1.1292 -1.1217 -0.0080 -0.0003 0.4729 0.4867 0.7805 0.8132 1.0943 1.1177 1.7813 1.8061 2.0169 2.0823 2.2502 2.2852 2.6848 2.7371 2.9337 2.9679 3.1865 3.1985 3.6540 3.6644 7.7327 7.7408 8.0610 8.0726 8.2441 8.2543 8.5150 8.5309 k = 0.0379 0.5300 0.3988 ( 4990 PWs) bands (ev): -8.4258 -8.4258 -8.1125 -8.1124 -7.7987 -7.7984 -7.7495 -7.7491 -3.9778 -3.9748 -3.9285 -3.9250 -3.3392 -3.3329 -3.2752 -3.2705 -3.2476 -3.2451 -1.1343 -1.1294 0.0021 0.0073 0.4808 0.4910 0.7792 0.8036 1.0795 1.0965 1.7884 1.8051 2.0368 2.0855 2.2429 2.2698 2.7021 2.7383 2.9527 2.9782 3.1707 3.1788 3.6493 3.6567 7.7387 7.7442 8.0742 8.0820 8.2679 8.2761 8.5559 8.5690 k = 0.0190 0.5244 0.4058 ( 4994 PWs) bands (ev): -8.4273 -8.4273 -8.1126 -8.1125 -7.7933 -7.7931 -7.7528 -7.7525 -3.9770 -3.9755 -3.9274 -3.9256 -3.3376 -3.3344 -3.2738 -3.2714 -3.2468 -3.2455 -1.1369 -1.1345 0.0088 0.0114 0.4868 0.4924 0.7818 0.7949 1.0722 1.0813 1.7943 1.8027 2.0556 2.0819 2.2414 2.2564 2.7170 2.7356 2.9686 2.9824 3.1606 3.1647 3.6471 3.6509 7.7430 7.7457 8.0822 8.0861 8.2847 8.2893 8.5874 8.5950 k = 0.0000 0.5188 0.4128 ( 4990 PWs) bands (ev): -8.4278 -8.4278 -8.1126 -8.1126 -7.7911 -7.7911 -7.7540 -7.7540 -3.9763 -3.9763 -3.9264 -3.9264 -3.3360 -3.3360 -3.2725 -3.2725 -3.2461 -3.2461 -1.1370 -1.1370 0.0120 0.0120 0.4908 0.4908 0.7874 0.7874 1.0729 1.0729 1.7991 1.7991 2.0714 2.0714 2.2464 2.2464 2.7284 2.7284 2.9791 2.9791 3.1583 3.1583 3.6477 3.6477 7.7454 7.7454 8.0861 8.0861 8.2921 8.2921 8.6019 8.6019 k = 0.0000 0.5188 0.4128 ( 4990 PWs) bands (ev): -8.4278 -8.4278 -8.1126 -8.1126 -7.7911 -7.7911 -7.7540 -7.7540 -3.9763 -3.9763 -3.9264 -3.9264 -3.3360 -3.3360 -3.2725 -3.2725 -3.2461 -3.2461 -1.1370 -1.1370 0.0120 0.0120 0.4908 0.4908 0.7874 0.7874 1.0729 1.0729 1.7991 1.7991 2.0714 2.0714 2.2464 2.2464 2.7284 2.7284 2.9791 2.9791 3.1583 3.1583 3.6477 3.6477 7.7454 7.7454 8.0861 8.0861 8.2921 8.2921 8.6019 8.6019 k = 0.0093 0.5066 0.4281 ( 4990 PWs) bands (ev): -8.4274 -8.4274 -8.1124 -8.1124 -7.7917 -7.7916 -7.7541 -7.7541 -3.9766 -3.9758 -3.9273 -3.9256 -3.3374 -3.3344 -3.2730 -3.2721 -3.2462 -3.2458 -1.1383 -1.1367 0.0069 0.0089 0.4764 0.4893 0.7887 0.8008 1.0719 1.0801 1.7968 1.8013 2.0619 2.0769 2.2390 2.2632 2.7248 2.7347 2.9736 2.9870 3.1581 3.1603 3.6456 3.6492 7.7412 7.7436 8.0798 8.0839 8.2827 8.2874 8.6018 8.6136 k = 0.0185 0.4944 0.4434 ( 4994 PWs) bands (ev): -8.4261 -8.4260 -8.1119 -8.1119 -7.7931 -7.7930 -7.7546 -7.7545 -3.9768 -3.9752 -3.9281 -3.9247 -3.3385 -3.3326 -3.2733 -3.2717 -3.2463 -3.2455 -1.1405 -1.1372 -0.0061 -0.0023 0.4498 0.4722 0.8042 0.8251 1.0771 1.0936 1.7938 1.8035 2.0520 2.0773 2.2427 2.2863 2.7236 2.7435 2.9706 2.9972 3.1601 3.1644 3.6430 3.6502 7.7310 7.7359 8.0658 8.0739 8.2612 8.2693 8.6128 8.6340 k = 0.0278 0.4823 0.4587 ( 4990 PWs) bands (ev): -8.4239 -8.4238 -8.1110 -8.1110 -7.7955 -7.7953 -7.7553 -7.7552 -3.9769 -3.9744 -3.9288 -3.9238 -3.3394 -3.3307 -3.2737 -3.2713 -3.2463 -3.2452 -1.1436 -1.1387 -0.0263 -0.0210 0.4156 0.4436 0.8289 0.8552 1.0886 1.1131 1.7895 1.8053 2.0452 2.0749 2.2558 2.3127 2.7248 2.7547 2.9700 3.0091 3.1644 3.1704 3.6399 3.6507 7.7146 7.7222 8.0452 8.0577 8.2308 8.2415 8.6320 8.6593 k = 0.0370 0.4701 0.4740 ( 4992 PWs) bands (ev): -8.4209 -8.4208 -8.1099 -8.1098 -7.7987 -7.7985 -7.7563 -7.7562 -3.9768 -3.9736 -3.9295 -3.9230 -3.3401 -3.3286 -3.2740 -3.2709 -3.2462 -3.2448 -1.1473 -1.1409 -0.0530 -0.0466 0.3770 0.4080 0.8575 0.8870 1.1062 1.1385 1.7833 1.8063 2.0441 2.0743 2.2749 2.3406 2.7279 2.7678 2.9718 3.0224 3.1714 3.1785 3.6362 3.6507 7.6920 7.7021 8.0197 8.0374 8.1939 8.2084 8.6559 8.6864 k = 0.0463 0.4579 0.4893 ( 4990 PWs) bands (ev): -8.4170 -8.4169 -8.1084 -8.1083 -7.8028 -7.8025 -7.7577 -7.7575 -3.9765 -3.9726 -3.9302 -3.9222 -3.3404 -3.3263 -3.2742 -3.2706 -3.2461 -3.2444 -1.1515 -1.1437 -0.0851 -0.0779 0.3358 0.3681 0.8862 0.9176 1.1297 1.1692 1.7752 1.8065 2.0501 2.0789 2.2971 2.3687 2.7324 2.7824 2.9758 3.0362 3.1816 3.1889 3.6320 3.6500 7.6633 7.6760 7.9906 8.0145 8.1531 8.1732 8.6816 8.7130 k = 0.0556 0.4458 0.5046 ( 4990 PWs) bands (ev): -8.4122 -8.4121 -8.1066 -8.1065 -7.8077 -7.8073 -7.7594 -7.7592 -3.9761 -3.9715 -3.9308 -3.9214 -3.3405 -3.3240 -3.2743 -3.2703 -3.2458 -3.2440 -1.1561 -1.1469 -0.1216 -0.1139 0.2931 0.3256 0.9124 0.9453 1.1586 1.2045 1.7662 1.8064 2.0634 2.0906 2.3206 2.3965 2.7380 2.7979 2.9819 3.0498 3.1952 3.2019 3.6271 3.6487 7.6291 7.6441 7.9587 7.9893 8.1112 8.1379 8.7073 8.7380 k = 0.0648 0.4336 0.5199 ( 4986 PWs) bands (ev): -8.4067 -8.4065 -8.1046 -8.1045 -7.8132 -7.8128 -7.7615 -7.7612 -3.9755 -3.9704 -3.9313 -3.9206 -3.3403 -3.3216 -3.2744 -3.2701 -3.2455 -3.2436 -1.1608 -1.1504 -0.1615 -0.1536 0.2494 0.2815 0.9344 0.9685 1.1922 1.2436 1.7579 1.8070 2.0834 2.1099 2.3442 2.4234 2.7444 2.8140 2.9898 3.0623 3.2119 3.2181 3.6217 3.6467 7.5902 7.6073 7.9244 7.9606 8.0713 8.1040 8.7318 8.7604 k = 0.0741 0.4214 0.5351 ( 4990 PWs) bands (ev): -8.4003 -8.4001 -8.1024 -8.1023 -7.8195 -7.8190 -7.7639 -7.7636 -3.9748 -3.9692 -3.9318 -3.9200 -3.3398 -3.3191 -3.2744 -3.2699 -3.2452 -3.2432 -1.1653 -1.1538 -0.2039 -0.1961 0.2051 0.2366 0.9511 0.9865 1.2297 1.2857 1.7522 1.8097 2.1094 2.1361 2.3672 2.4493 2.7512 2.8301 2.9991 3.0735 3.2306 3.2385 3.6156 3.6440 7.5475 7.5666 7.8881 7.9271 8.0361 8.0723 8.7547 8.7804 k = 0.0833 0.4093 0.5504 ( 4992 PWs) bands (ev): -8.3932 -8.3930 -8.1001 -8.0999 -7.8262 -7.8257 -7.7666 -7.7662 -3.9739 -3.9679 -3.9323 -3.9194 -3.3391 -3.3166 -3.2743 -3.2698 -3.2449 -3.2429 -1.1695 -1.1569 -0.2481 -0.2404 0.1606 0.1912 0.9622 0.9985 1.2703 1.3298 1.7506 1.8156 2.1404 2.1682 2.3890 2.4738 2.7585 2.8461 3.0094 3.0833 3.2506 3.2628 3.6089 3.6406 7.5019 7.5228 7.8503 7.8886 8.0063 8.0426 8.7758 8.7982 k = 0.0926 0.3971 0.5657 ( 4990 PWs) bands (ev): -8.3853 -8.3850 -8.0977 -8.0975 -7.8335 -7.8330 -7.7697 -7.7693 -3.9729 -3.9665 -3.9327 -3.9189 -3.3380 -3.3141 -3.2742 -3.2697 -3.2446 -3.2425 -1.1730 -1.1596 -0.2934 -0.2858 0.1162 0.1457 0.9674 1.0044 1.3134 1.3755 1.7538 1.8253 2.1756 2.2051 2.4094 2.4969 2.7663 2.8620 3.0204 3.0920 3.2720 3.2895 3.6015 3.6365 7.4544 7.4769 7.8119 7.8471 7.9809 8.0148 8.7956 8.8149 k = 0.1019 0.3849 0.5810 ( 4992 PWs) bands (ev): -8.3767 -8.3764 -8.0954 -8.0952 -7.8411 -7.8406 -7.7731 -7.7726 -3.9717 -3.9650 -3.9330 -3.9186 -3.3368 -3.3115 -3.2740 -3.2696 -3.2443 -3.2422 -1.1756 -1.1615 -0.3393 -0.3319 0.0722 0.1006 0.9670 1.0042 1.3583 1.4223 1.7624 1.8389 2.2139 2.2456 2.4283 2.5184 2.7748 2.8777 3.0317 3.0998 3.2945 3.3176 3.5936 3.6316 7.4054 7.4293 7.7740 7.8048 7.9580 7.9880 8.8144 8.8315 k = 0.1111 0.3728 0.5963 ( 4988 PWs) bands (ev): -8.3674 -8.3671 -8.0931 -8.0929 -7.8491 -7.8485 -7.7767 -7.7762 -3.9705 -3.9636 -3.9334 -3.9183 -3.3352 -3.3090 -3.2739 -3.2694 -3.2442 -3.2419 -1.1772 -1.1624 -0.3854 -0.3780 0.0288 0.0562 0.9616 0.9984 1.4047 1.4699 1.7759 1.8561 2.2540 2.2885 2.4464 2.5381 2.7841 2.8933 3.0432 3.1071 3.3174 3.3459 3.5852 3.6260 7.3554 7.3806 7.7377 7.7640 7.9361 7.9617 8.8327 8.8489 k = 0.1204 0.3606 0.6116 ( 5000 PWs) bands (ev): -8.3574 -8.3571 -8.0911 -8.0909 -7.8571 -7.8565 -7.7807 -7.7801 -3.9691 -3.9620 -3.9336 -3.9182 -3.3335 -3.3065 -3.2737 -3.2692 -3.2442 -3.2416 -1.1776 -1.1622 -0.4314 -0.4240 -0.0135 0.0128 0.9521 0.9881 1.4521 1.5180 1.7939 1.8764 2.2941 2.3319 2.4645 2.5562 2.7946 2.9090 3.0546 3.1140 3.3400 3.3734 3.5766 3.6198 7.3049 7.3311 7.7038 7.7262 7.9144 7.9355 8.8507 8.8674 k = 0.1296 0.3484 0.6269 ( 4996 PWs) bands (ev): -8.3468 -8.3465 -8.0895 -8.0893 -7.8652 -7.8646 -7.7848 -7.7842 -3.9677 -3.9604 -3.9339 -3.9183 -3.3316 -3.3041 -3.2737 -3.2689 -3.2443 -3.2414 -1.1764 -1.1606 -0.4770 -0.4694 -0.0545 -0.0292 0.9394 0.9740 1.4998 1.5661 1.8157 1.8994 2.3315 2.3736 2.4850 2.5728 2.8067 2.9247 3.0659 3.1209 3.3615 3.3994 3.5680 3.6132 7.2544 7.2813 7.6728 7.6925 7.8924 7.9091 8.8680 8.8862 k = 0.1389 0.3363 0.6422 ( 4998 PWs) bands (ev): -8.3357 -8.3354 -8.0884 -8.0882 -7.8730 -7.8724 -7.7892 -7.7885 -3.9663 -3.9587 -3.9341 -3.9185 -3.3294 -3.3017 -3.2737 -3.2685 -3.2445 -3.2412 -1.1737 -1.1574 -0.5220 -0.5142 -0.0938 -0.0695 0.9243 0.9574 1.5475 1.6136 1.8409 1.9246 2.3630 2.4106 2.5105 2.5888 2.8208 2.9407 3.0770 3.1279 3.3809 3.4230 3.5599 3.6062 7.2042 7.2315 7.6452 7.6636 7.8698 7.8827 8.8831 8.9018 k = 0.1481 0.3241 0.6575 ( 4998 PWs) bands (ev): -8.3241 -8.3238 -8.0881 -8.0879 -7.8805 -7.8799 -7.7937 -7.7930 -3.9648 -3.9569 -3.9344 -3.9188 -3.3272 -3.2994 -3.2738 -3.2681 -3.2449 -3.2411 -1.1692 -1.1526 -0.5662 -0.5580 -0.1312 -0.1078 0.9079 0.9392 1.5942 1.6597 1.8689 1.9517 2.3853 2.4410 2.5426 2.6050 2.8376 2.9570 3.0879 3.1351 3.3974 3.4432 3.5528 3.5992 7.1550 7.1822 7.6210 7.6398 7.8464 7.8564 8.8936 8.9100 k = 0.1574 0.3119 0.6727 ( 5002 PWs) bands (ev): -8.3121 -8.3117 -8.0886 -8.0884 -7.8874 -7.8869 -7.7983 -7.7976 -3.9634 -3.9551 -3.9346 -3.9193 -3.3248 -3.2972 -3.2740 -3.2675 -3.2453 -3.2410 -1.1628 -1.1460 -0.6095 -0.6008 -0.1662 -0.1438 0.8908 0.9203 1.6394 1.7035 1.8997 1.9807 2.3980 2.4637 2.5786 2.6226 2.8575 2.9738 3.0986 3.1429 3.4103 3.4593 3.5476 3.5924 7.1073 7.1340 7.6005 7.6209 7.8218 7.8309 8.8977 8.9115 k = 0.1667 0.2998 0.6880 ( 5010 PWs) bands (ev): -8.2997 -8.2993 -8.0902 -8.0899 -7.8936 -7.8931 -7.8030 -7.8022 -3.9620 -3.9532 -3.9348 -3.9200 -3.3224 -3.2951 -3.2743 -3.2669 -3.2459 -3.2411 -1.1544 -1.1376 -0.6518 -0.6424 -0.1988 -0.1772 0.8737 0.9014 1.6820 1.7442 1.9331 2.0115 2.4028 2.4785 2.6134 2.6422 2.8810 2.9915 3.1091 3.1516 3.4189 3.4705 3.5448 3.5861 7.0618 7.0876 7.5839 7.6065 7.7960 7.8065 8.8974 8.9108 k = 0.1759 0.2876 0.7033 ( 5006 PWs) bands (ev): -8.2870 -8.2866 -8.0930 -8.0927 -7.8989 -7.8984 -7.8076 -7.8068 -3.9607 -3.9512 -3.9350 -3.9209 -3.3200 -3.2932 -3.2746 -3.2663 -3.2466 -3.2412 -1.1441 -1.1271 -0.6929 -0.6829 -0.2285 -0.2078 0.8573 0.8832 1.7214 1.7810 1.9691 2.0443 2.4019 2.4855 2.6402 2.6656 2.9080 3.0105 3.1193 3.1614 3.4233 3.4770 3.5442 3.5802 7.0191 7.0437 7.5711 7.5961 7.7698 7.7831 8.8962 8.9099 k = 0.1852 0.2754 0.7186 ( 5002 PWs) bands (ev): -8.2742 -8.2737 -8.0970 -8.0967 -7.9033 -7.9028 -7.8121 -7.8113 -3.9594 -3.9492 -3.9352 -3.9219 -3.3176 -3.2914 -3.2750 -3.2657 -3.2474 -3.2414 -1.1317 -1.1148 -0.7326 -0.7220 -0.2553 -0.2352 0.8419 0.8661 1.7567 1.8136 2.0070 2.0789 2.3966 2.4860 2.6571 2.6911 2.9374 3.0312 3.1293 3.1729 3.4240 3.4793 3.5448 3.5748 6.9800 7.0028 7.5621 7.5894 7.7438 7.7604 8.8963 8.9097 k = 0.1944 0.2633 0.7339 ( 5002 PWs) bands (ev): -8.2613 -8.2608 -8.1023 -8.1019 -7.9066 -7.9062 -7.8163 -7.8155 -3.9583 -3.9471 -3.9353 -3.9230 -3.3152 -3.2898 -3.2753 -3.2651 -3.2481 -3.2416 -1.1173 -1.1005 -0.7710 -0.7598 -0.2788 -0.2595 0.8279 0.8506 1.7873 1.8417 2.0463 2.1151 2.3878 2.4810 2.6676 2.7129 2.9670 3.0538 3.1389 3.1863 3.4222 3.4785 3.5453 3.5695 6.9450 6.9656 7.5566 7.5859 7.7185 7.7385 8.8983 8.9109 k = 0.2037 0.2511 0.7492 ( 4996 PWs) bands (ev): -8.2485 -8.2481 -8.1087 -8.1082 -7.9090 -7.9086 -7.8203 -7.8195 -3.9574 -3.9451 -3.9355 -3.9243 -3.3130 -3.2885 -3.2755 -3.2646 -3.2489 -3.2419 -1.1010 -1.0843 -0.8077 -0.7959 -0.2990 -0.2802 0.8156 0.8369 1.8131 1.8655 2.0861 2.1523 2.3757 2.4716 2.6739 2.7288 2.9940 3.0783 3.1476 3.2018 3.4192 3.4755 3.5447 3.5640 6.9147 6.9328 7.5545 7.5853 7.6945 7.7175 8.9022 8.9134 k = 0.2130 0.2389 0.7645 ( 5000 PWs) bands (ev): -8.2362 -8.2358 -8.1159 -8.1155 -7.9106 -7.9103 -7.8238 -7.8230 -3.9565 -3.9431 -3.9355 -3.9258 -3.3111 -3.2876 -3.2756 -3.2642 -3.2496 -3.2422 -1.0828 -1.0665 -0.8425 -0.8303 -0.3157 -0.2974 0.8053 0.8254 1.8339 1.8849 2.1256 2.1895 2.3606 2.4585 2.6775 2.7388 3.0162 3.1040 3.1554 3.2184 3.4163 3.4706 3.5429 3.5582 6.8896 6.9048 7.5556 7.5872 7.6720 7.6978 8.9073 8.9168 k = 0.2222 0.2268 0.7798 ( 5000 PWs) bands (ev): -8.2247 -8.2243 -8.1235 -8.1231 -7.9115 -7.9113 -7.8267 -7.8259 -3.9559 -3.9413 -3.9355 -3.9273 -3.3094 -3.2869 -3.2756 -3.2638 -3.2503 -3.2424 -1.0632 -1.0475 -0.8749 -0.8625 -0.3288 -0.3109 0.7971 0.8163 1.8499 1.8999 2.1638 2.2252 2.3425 2.4424 2.6792 2.7443 3.0327 3.1287 3.1623 3.2341 3.4152 3.4640 3.5404 3.5522 6.8701 6.8821 7.5595 7.5908 7.6519 7.6796 8.9129 8.9204 k = 0.2315 0.2146 0.7951 ( 4998 PWs) bands (ev): -8.2147 -8.2144 -8.1307 -8.1303 -7.9120 -7.9118 -7.8289 -7.8282 -3.9554 -3.9397 -3.9351 -3.9288 -3.3081 -3.2866 -3.2754 -3.2636 -3.2508 -3.2426 -1.0429 -1.0284 -0.9036 -0.8918 -0.3382 -0.3206 0.7911 0.8096 1.8611 1.9107 2.2000 2.2574 2.3217 2.4247 2.6799 2.7466 3.0437 3.1484 3.1695 3.2465 3.4172 3.4555 3.5380 3.5466 6.8563 6.8652 7.5658 7.5949 7.6355 7.6635 8.9180 8.9235 k = 0.2407 0.2024 0.8104 ( 4994 PWs) bands (ev): -8.2075 -8.2073 -8.1362 -8.1358 -7.9122 -7.9121 -7.8303 -7.8295 -3.9551 -3.9388 -3.9345 -3.9303 -3.3073 -3.2864 -3.2753 -3.2635 -3.2511 -3.2427 -1.0242 -1.0123 -0.9253 -0.9160 -0.3439 -0.3264 0.7875 0.8056 1.8679 1.9172 2.2330 2.2805 2.3000 2.4088 2.6802 2.7473 3.0500 3.1584 3.1779 3.2537 3.4227 3.4458 3.5366 3.5425 6.8484 6.8545 7.5736 7.5961 7.6260 7.6508 8.9216 8.9255 k = 0.2500 0.1903 0.8256 ( 4984 PWs) bands (ev): -8.2048 -8.2047 -8.1383 -8.1380 -7.9122 -7.9122 -7.8308 -7.8300 -3.9550 -3.9385 -3.9340 -3.9310 -3.3070 -3.2864 -3.2753 -3.2634 -3.2512 -3.2428 -1.0147 -1.0061 -0.9330 -0.9279 -0.3458 -0.3284 0.7863 0.8043 1.8701 1.9193 2.2550 2.2754 2.2966 2.4016 2.6802 2.7474 3.0520 3.1609 3.1821 3.2559 3.4280 3.4392 3.5362 3.5408 6.8459 6.8508 7.5785 7.5938 7.6245 7.6452 8.9230 8.9261 k = 0.2500 0.1903 0.8256 ( 4984 PWs) bands (ev): -8.2048 -8.2047 -8.1383 -8.1380 -7.9122 -7.9122 -7.8308 -7.8300 -3.9550 -3.9385 -3.9340 -3.9310 -3.3070 -3.2864 -3.2753 -3.2634 -3.2512 -3.2428 -1.0147 -1.0061 -0.9330 -0.9279 -0.3458 -0.3284 0.7863 0.8043 1.8701 1.9193 2.2550 2.2754 2.2966 2.4016 2.6802 2.7474 3.0520 3.1609 3.1821 3.2559 3.4280 3.4392 3.5362 3.5408 6.8459 6.8508 7.5785 7.5938 7.6245 7.6452 8.9230 8.9261 k = 0.2632 0.2003 0.8131 ( 4988 PWs) bands (ev): -8.2057 -8.2055 -8.1377 -8.1373 -7.9122 -7.9121 -7.8306 -7.8299 -3.9550 -3.9386 -3.9342 -3.9307 -3.3071 -3.2864 -3.2753 -3.2635 -3.2511 -3.2428 -1.0193 -1.0092 -0.9310 -0.9237 -0.3430 -0.3256 0.7882 0.8062 1.8640 1.9120 2.2461 2.2750 2.3046 2.4008 2.6822 2.7478 3.0522 3.1539 3.1889 3.2567 3.4260 3.4419 3.5376 3.5424 6.8428 6.8479 7.5772 7.5927 7.6293 7.6491 8.9229 8.9262 k = 0.2763 0.2103 0.8005 ( 4990 PWs) bands (ev): -8.2078 -8.2076 -8.1360 -8.1357 -7.9121 -7.9120 -7.8302 -7.8294 -3.9551 -3.9391 -3.9346 -3.9300 -3.3073 -3.2867 -3.2753 -3.2638 -3.2507 -3.2426 -1.0302 -1.0180 -0.9244 -0.9146 -0.3347 -0.3175 0.7938 0.8118 1.8465 1.8914 2.2284 2.2765 2.3152 2.3985 2.6877 2.7492 3.0528 3.1420 3.2006 3.2592 3.4231 3.4470 3.5417 3.5469 6.8333 6.8388 7.5752 7.5893 7.6437 7.6602 8.9231 8.9266 k = 0.2895 0.2203 0.7879 ( 4995 PWs) bands (ev): -8.2107 -8.2104 -8.1340 -8.1336 -7.9120 -7.9119 -7.8296 -7.8289 -3.9551 -3.9397 -3.9351 -3.9291 -3.3076 -3.2872 -3.2753 -3.2640 -3.2502 -3.2424 -1.0434 -1.0298 -0.9151 -0.9041 -0.3217 -0.3047 0.8028 0.8210 1.8194 1.8605 2.2076 2.2738 2.3238 2.3970 2.6949 2.7513 3.0539 3.1300 3.2128 3.2637 3.4215 3.4523 3.5488 3.5538 6.8182 6.8237 7.5734 7.5847 7.6659 7.6782 8.9243 8.9281 k = 0.3026 0.2303 0.7753 ( 4999 PWs) bands (ev): -8.2138 -8.2135 -8.1319 -8.1315 -7.9119 -7.9117 -7.8289 -7.8282 -3.9553 -3.9405 -3.9357 -3.9282 -3.3080 -3.2878 -3.2755 -3.2642 -3.2497 -3.2422 -1.0566 -1.0425 -0.9050 -0.8936 -0.3046 -0.2878 0.8152 0.8335 1.7851 1.8225 2.1839 2.2590 2.3346 2.3988 2.7014 2.7535 3.0552 3.1187 3.2247 3.2704 3.4218 3.4570 3.5587 3.5627 6.7983 6.8034 7.5713 7.5796 7.6941 7.7038 8.9269 8.9307 k = 0.3158 0.2403 0.7627 ( 5006 PWs) bands (ev): -8.2168 -8.2165 -8.1300 -8.1297 -7.9117 -7.9114 -7.8282 -7.8274 -3.9555 -3.9415 -3.9363 -3.9272 -3.3086 -3.2887 -3.2759 -3.2643 -3.2492 -3.2419 -1.0687 -1.0543 -0.8951 -0.8838 -0.2840 -0.2676 0.8307 0.8491 1.7457 1.7801 2.1567 2.2320 2.3487 2.4034 2.7055 2.7547 3.0563 3.1082 3.2360 3.2788 3.4239 3.4608 3.5711 3.5737 6.7753 6.7794 7.5687 7.5743 7.7268 7.7371 8.9309 8.9348 k = 0.3289 0.2503 0.7501 ( 5002 PWs) bands (ev): -8.2194 -8.2191 -8.1286 -8.1283 -7.9114 -7.9111 -7.8275 -7.8268 -3.9557 -3.9424 -3.9369 -3.9264 -3.3094 -3.2897 -3.2764 -3.2643 -3.2487 -3.2416 -1.0786 -1.0643 -0.8858 -0.8750 -0.2607 -0.2446 0.8489 0.8674 1.7033 1.7353 2.1259 2.1969 2.3644 2.4096 2.7063 2.7540 3.0567 3.0988 3.2465 3.2879 3.4273 3.4636 3.5849 3.5876 6.7507 6.7535 7.5656 7.5689 7.7635 7.7769 8.9360 8.9402 k = 0.3421 0.2603 0.7376 ( 4998 PWs) bands (ev): -8.2216 -8.2213 -8.1277 -8.1275 -7.9110 -7.9107 -7.8269 -7.8262 -3.9561 -3.9434 -3.9376 -3.9256 -3.3103 -3.2908 -3.2771 -3.2641 -3.2483 -3.2413 -1.0859 -1.0717 -0.8774 -0.8673 -0.2356 -0.2198 0.8695 0.8881 1.6596 1.6898 2.0920 2.1570 2.3803 2.4162 2.7036 2.7505 3.0562 3.0903 3.2564 3.2966 3.4312 3.4652 3.5992 3.6038 6.7261 6.7279 7.5620 7.5638 7.8038 7.8211 8.9418 8.9466 k = 0.3553 0.2704 0.7250 ( 4998 PWs) bands (ev): -8.2233 -8.2230 -8.1275 -8.1272 -7.9105 -7.9101 -7.8265 -7.8258 -3.9565 -3.9444 -3.9383 -3.9250 -3.3113 -3.2920 -3.2778 -3.2640 -3.2481 -3.2411 -1.0900 -1.0761 -0.8699 -0.8607 -0.2093 -0.1938 0.8921 0.9108 1.6161 1.6449 2.0558 2.1146 2.3954 2.4225 2.6977 2.7439 3.0550 3.0829 3.2655 3.3044 3.4347 3.4658 3.6143 3.6206 6.7022 6.7050 7.5577 7.5599 7.8468 7.8684 8.9473 8.9532 k = 0.3684 0.2804 0.7124 ( 5002 PWs) bands (ev): -8.2242 -8.2239 -8.1279 -8.1277 -7.9099 -7.9095 -7.8263 -7.8256 -3.9571 -3.9453 -3.9391 -3.9245 -3.3126 -3.2933 -3.2785 -3.2638 -3.2480 -3.2410 -1.0905 -1.0771 -0.8634 -0.8552 -0.1826 -0.1674 0.9163 0.9349 1.5740 1.6019 2.0182 2.0711 2.4090 2.4282 2.6889 2.7344 3.0531 3.0765 3.2735 3.3109 3.4371 3.4654 3.6292 3.6366 6.6808 6.6859 7.5534 7.5572 7.8917 7.9176 8.9512 8.9590 k = 0.3816 0.2904 0.6998 ( 5002 PWs) bands (ev): -8.2245 -8.2242 -8.1291 -8.1289 -7.9092 -7.9088 -7.8263 -7.8256 -3.9578 -3.9461 -3.9399 -3.9242 -3.3141 -3.2947 -3.2792 -3.2636 -3.2480 -3.2411 -1.0873 -1.0743 -0.8579 -0.8506 -0.1563 -0.1413 0.9414 0.9599 1.5344 1.5617 1.9803 2.0279 2.4200 2.4330 2.6776 2.7221 3.0510 3.0710 3.2802 3.3162 3.4381 3.4644 3.6428 3.6503 6.6636 6.6714 7.5499 7.5555 7.9375 7.9676 8.9517 8.9625 k = 0.3947 0.3004 0.6872 ( 5001 PWs) bands (ev): -8.2240 -8.2237 -8.1310 -8.1308 -7.9084 -7.9079 -7.8265 -7.8258 -3.9587 -3.9468 -3.9408 -3.9240 -3.3157 -3.2961 -3.2799 -3.2636 -3.2482 -3.2412 -1.0802 -1.0677 -0.8532 -0.8470 -0.1310 -0.1164 0.9668 0.9853 1.4980 1.5253 1.9430 1.9858 2.4270 2.4378 2.6643 2.7076 3.0488 3.0664 3.2857 3.3204 3.4375 3.4629 3.6535 3.6607 6.6516 6.6623 7.5476 7.5553 7.9831 8.0174 8.9466 8.9619 k = 0.4079 0.3104 0.6747 ( 4998 PWs) bands (ev): -8.2227 -8.2225 -8.1337 -8.1336 -7.9074 -7.9069 -7.8269 -7.8262 -3.9597 -3.9474 -3.9417 -3.9239 -3.3176 -3.2975 -3.2805 -3.2635 -3.2485 -3.2415 -1.0692 -1.0572 -0.8495 -0.8442 -0.1076 -0.0933 0.9916 1.0103 1.4658 1.4938 1.9074 1.9460 2.4286 2.4428 2.6495 2.6914 3.0467 3.0625 3.2898 3.3234 3.4357 3.4610 3.6604 3.6668 6.6456 6.6593 7.5469 7.5566 8.0276 8.0660 8.9346 8.9553 k = 0.4211 0.3204 0.6621 ( 4998 PWs) bands (ev): -8.2207 -8.2205 -8.1373 -8.1372 -7.9063 -7.9058 -7.8274 -7.8267 -3.9609 -3.9479 -3.9427 -3.9239 -3.3196 -3.2990 -3.2810 -3.2636 -3.2489 -3.2420 -1.0541 -1.0428 -0.8466 -0.8421 -0.0865 -0.0726 1.0150 1.0345 1.4382 1.4679 1.8742 1.9092 2.4260 2.4460 2.6337 2.6743 3.0448 3.0593 3.2923 3.3251 3.4332 3.4590 3.6625 3.6682 6.6458 6.6624 7.5480 7.5599 8.0702 8.1123 8.9153 8.9419 k = 0.4342 0.3304 0.6495 ( 4997 PWs) bands (ev): -8.2180 -8.2177 -8.1418 -8.1417 -7.9050 -7.9045 -7.8280 -7.8273 -3.9622 -3.9483 -3.9436 -3.9241 -3.3218 -3.3003 -3.2814 -3.2636 -3.2495 -3.2425 -1.0352 -1.0245 -0.8446 -0.8407 -0.0683 -0.0548 1.0358 1.0573 1.4155 1.4483 1.8443 1.8765 2.4196 2.4461 2.6175 2.6570 3.0429 3.0567 3.2933 3.3255 3.4303 3.4570 3.6594 3.6647 6.6524 6.6717 7.5512 7.5653 8.1096 8.1553 8.8896 8.9217 k = 0.4474 0.3404 0.6369 ( 4999 PWs) bands (ev): -8.2146 -8.2143 -8.1472 -8.1471 -7.9036 -7.9031 -7.8285 -7.8279 -3.9635 -3.9486 -3.9445 -3.9244 -3.3241 -3.3017 -3.2818 -3.2638 -3.2501 -3.2432 -1.0127 -1.0027 -0.8434 -0.8397 -0.0534 -0.0404 1.0533 1.0779 1.3979 1.4355 1.8185 1.8487 2.4095 2.4423 2.6013 2.6403 3.0410 3.0544 3.2927 3.3244 3.4274 3.4549 3.6512 3.6566 6.6649 6.6868 7.5566 7.5731 8.1448 8.1937 8.8592 8.8961 k = 0.4605 0.3505 0.6243 ( 5001 PWs) bands (ev): -8.2106 -8.2103 -8.1535 -8.1533 -7.9020 -7.9015 -7.8291 -7.8285 -3.9649 -3.9489 -3.9454 -3.9248 -3.3264 -3.3031 -3.2821 -3.2640 -3.2507 -3.2439 -0.9870 -0.9776 -0.8429 -0.8388 -0.0419 -0.0294 1.0668 1.0958 1.3854 1.4292 1.7975 1.8268 2.3957 2.4340 2.5856 2.6246 3.0387 3.0521 3.2905 3.3218 3.4244 3.4526 3.6389 3.6448 6.6827 6.7069 7.5643 7.5833 8.1744 8.2260 8.8257 8.8669 k = 0.4737 0.3605 0.6117 ( 4999 PWs) bands (ev): -8.2064 -8.2060 -8.1603 -8.1600 -7.9003 -7.8998 -7.8294 -7.8288 -3.9664 -3.9493 -3.9462 -3.9252 -3.3287 -3.3045 -3.2823 -3.2643 -3.2514 -3.2447 -0.9590 -0.9502 -0.8425 -0.8376 -0.0338 -0.0219 1.0764 1.1103 1.3778 1.4282 1.7820 1.8115 2.3784 2.4210 2.5709 2.6105 3.0358 3.0495 3.2870 3.3179 3.4207 3.4493 3.6239 3.6304 6.7051 6.7312 7.5744 7.5959 8.1968 8.2506 8.7906 8.8361 k = 0.4868 0.3705 0.5992 ( 4996 PWs) bands (ev): -8.2028 -8.2023 -8.1669 -8.1665 -7.8984 -7.8979 -7.8296 -7.8290 -3.9678 -3.9498 -3.9467 -3.9257 -3.3310 -3.3058 -3.2825 -3.2647 -3.2520 -3.2455 -0.9304 -0.9219 -0.8408 -0.8346 -0.0289 -0.0175 1.0826 1.1209 1.3747 1.4313 1.7724 1.8032 2.3578 2.4037 2.5571 2.5979 3.0317 3.0460 3.2822 3.3132 3.4151 3.4441 3.6084 3.6154 6.7310 6.7585 7.5864 7.6106 8.2103 8.2655 8.7546 8.8052 k = 0.5000 0.3805 0.5866 ( 4994 PWs) bands (ev): -8.2019 -8.2013 -8.1711 -8.1707 -7.8963 -7.8958 -7.8295 -7.8289 -3.9691 -3.9505 -3.9471 -3.9261 -3.3332 -3.3072 -3.2826 -3.2652 -3.2525 -3.2464 -0.9056 -0.8972 -0.8338 -0.8263 -0.0267 -0.0158 1.0860 1.1276 1.3753 1.4368 1.7691 1.8020 2.3346 2.3825 2.5443 2.5865 3.0262 3.0411 3.2762 3.3078 3.4061 3.4356 3.5950 3.6024 6.7594 6.7879 7.6000 7.6271 8.2130 8.2690 8.7167 8.7722 k = 0.5000 0.3805 0.5866 ( 4994 PWs) bands (ev): -8.2019 -8.2013 -8.1711 -8.1707 -7.8963 -7.8958 -7.8295 -7.8289 -3.9691 -3.9505 -3.9471 -3.9261 -3.3332 -3.3072 -3.2826 -3.2652 -3.2525 -3.2464 -0.9056 -0.8972 -0.8338 -0.8263 -0.0267 -0.0158 1.0860 1.1276 1.3753 1.4368 1.7691 1.8020 2.3346 2.3825 2.5443 2.5865 3.0262 3.0411 3.2762 3.3078 3.4061 3.4356 3.5950 3.6024 6.7594 6.7879 7.6000 7.6271 8.2130 8.2690 8.7167 8.7722 k = 0.5000 0.3805 0.5648 ( 4998 PWs) bands (ev): -8.2055 -8.2049 -8.1739 -8.1734 -7.8923 -7.8917 -7.8289 -7.8284 -3.9713 -3.9518 -3.9477 -3.9270 -3.3367 -3.3095 -3.2828 -3.2659 -3.2534 -3.2479 -0.8702 -0.8621 -0.8123 -0.8035 -0.0241 -0.0144 1.0903 1.1364 1.3793 1.4477 1.7688 1.8057 2.2922 2.3428 2.5238 2.5683 3.0147 3.0307 3.2650 3.2976 3.3873 3.4176 3.5747 3.5827 6.8106 6.8402 7.6226 7.6551 8.2024 8.2593 8.6450 8.7049 k = 0.5000 0.3805 0.5431 ( 4996 PWs) bands (ev): -8.2110 -8.2105 -8.1755 -8.1750 -7.8877 -7.8871 -7.8281 -7.8277 -3.9732 -3.9531 -3.9483 -3.9280 -3.3399 -3.3120 -3.2831 -3.2667 -3.2543 -3.2493 -0.8358 -0.8277 -0.7904 -0.7804 -0.0194 -0.0117 1.0955 1.1464 1.3839 1.4594 1.7680 1.8093 2.2504 2.3028 2.5054 2.5517 3.0027 3.0195 3.2539 3.2870 3.3688 3.4000 3.5536 3.5622 6.8629 6.8932 7.6404 7.6786 8.1828 8.2412 8.5688 8.6307 k = 0.5000 0.3805 0.5214 ( 4986 PWs) bands (ev): -8.2181 -8.2176 -8.1763 -8.1758 -7.8826 -7.8820 -7.8271 -7.8267 -3.9749 -3.9545 -3.9490 -3.9290 -3.3426 -3.3146 -3.2834 -3.2675 -3.2553 -3.2507 -0.8036 -0.7954 -0.7680 -0.7577 -0.0120 -0.0071 1.1020 1.1577 1.3894 1.4718 1.7668 1.8126 2.2101 2.2635 2.4893 2.5368 2.9900 3.0075 3.2431 3.2758 3.3509 3.3829 3.5321 3.5413 6.9155 6.9461 7.6516 7.6952 8.1567 8.2173 8.4894 8.5501 k = 0.5000 0.3805 0.4997 ( 4990 PWs) bands (ev): -8.2262 -8.2258 -8.1766 -8.1762 -7.8770 -7.8765 -7.8257 -7.8253 -3.9763 -3.9559 -3.9497 -3.9300 -3.3449 -3.3172 -3.2837 -3.2683 -3.2564 -3.2519 -0.7745 -0.7674 -0.7442 -0.7362 -0.0013 -0.0001 1.1097 1.1706 1.3956 1.4849 1.7651 1.8156 2.1721 2.2256 2.4757 2.5237 2.9767 2.9948 3.2330 3.2637 3.3339 3.3663 3.5105 3.5203 6.9676 6.9979 7.6546 7.7026 8.1263 8.1890 8.4081 8.4645 k = 0.5000 0.3805 0.4779 ( 4994 PWs) bands (ev): -8.2351 -8.2348 -8.1769 -8.1765 -7.8710 -7.8704 -7.8239 -7.8237 -3.9773 -3.9574 -3.9504 -3.9310 -3.3468 -3.3197 -3.2840 -3.2692 -3.2575 -3.2530 -0.7495 -0.7451 -0.7190 -0.7162 0.0102 0.0137 1.1190 1.1851 1.4027 1.4986 1.7628 1.8182 2.1371 2.1898 2.4645 2.5126 2.9629 2.9814 3.2237 3.2505 3.3182 3.3504 3.4890 3.4996 7.0182 7.0476 7.6483 7.6987 8.0921 8.1553 8.3270 8.3792 k = 0.5000 0.3805 0.4562 ( 4990 PWs) bands (ev): -8.2445 -8.2442 -8.1773 -8.1768 -7.8646 -7.8641 -7.8218 -7.8216 -3.9781 -3.9589 -3.9512 -3.9320 -3.3482 -3.3222 -3.2842 -3.2703 -3.2586 -3.2539 -0.7314 -0.7261 -0.6985 -0.6943 0.0246 0.0333 1.1300 1.2015 1.4106 1.5127 1.7599 1.8203 2.1059 2.1566 2.4558 2.5036 2.9484 2.9674 3.2151 3.2357 3.3041 3.3351 3.4680 3.4795 7.0662 7.0940 7.6328 7.6827 8.0516 8.1122 8.2488 8.2999 k = 0.5000 0.3805 0.4345 ( 4980 PWs) bands (ev): -8.2543 -8.2540 -8.1779 -8.1774 -7.8578 -7.8574 -7.8194 -7.8192 -3.9784 -3.9604 -3.9520 -3.9329 -3.3491 -3.3245 -3.2845 -3.2716 -3.2594 -3.2548 -0.7205 -0.7112 -0.6817 -0.6724 0.0437 0.0581 1.1427 1.2197 1.4196 1.5269 1.7565 1.8219 2.0789 2.1265 2.4496 2.4966 2.9334 2.9529 3.2073 3.2191 3.2918 3.3208 3.4478 3.4603 7.1105 7.1357 7.6089 7.6556 8.0002 8.0542 8.1770 8.2279 k = 0.5000 0.3805 0.4128 ( 4976 PWs) bands (ev): -8.2642 -8.2640 -8.1788 -8.1783 -7.8509 -7.8504 -7.8165 -7.8163 -3.9784 -3.9619 -3.9528 -3.9337 -3.3497 -3.3265 -3.2847 -3.2733 -3.2600 -3.2555 -0.7155 -0.7026 -0.6656 -0.6536 0.0680 0.0879 1.1572 1.2396 1.4294 1.5410 1.7527 1.8231 2.0569 2.1002 2.4459 2.4918 2.9179 2.9380 3.1989 3.2019 3.2807 3.3079 3.4285 3.4423 7.1497 7.1712 7.5786 7.6197 7.9362 7.9815 8.1131 8.1611 k = 0.5000 0.3805 0.3910 ( 4980 PWs) bands (ev): -8.2742 -8.2740 -8.1800 -8.1795 -7.8437 -7.8433 -7.8133 -7.8130 -3.9781 -3.9634 -3.9536 -3.9345 -3.3500 -3.3281 -3.2848 -3.2751 -3.2605 -3.2562 -0.7167 -0.7004 -0.6505 -0.6380 0.0973 0.1225 1.1733 1.2609 1.4403 1.5543 1.7487 1.8238 2.0403 2.0781 2.4445 2.4890 2.9020 2.9229 3.1802 3.1935 3.2701 3.2974 3.4107 3.4257 7.1821 7.1985 7.5437 7.5777 7.8625 7.8999 8.0568 8.0995 k = 0.5000 0.3805 0.3693 ( 4982 PWs) bands (ev): -8.2841 -8.2840 -8.1815 -8.1810 -7.8364 -7.8360 -7.8097 -7.8094 -3.9775 -3.9648 -3.9544 -3.9352 -3.3500 -3.3293 -3.2850 -3.2770 -3.2608 -3.2569 -0.7236 -0.7042 -0.6371 -0.6252 0.1316 0.1613 1.1909 1.2831 1.4520 1.5662 1.7448 1.8241 2.0294 2.0611 2.4452 2.4881 2.8858 2.9077 3.1588 3.1859 3.2596 3.2899 3.3944 3.4105 7.2059 7.2163 7.5062 7.5320 7.7838 7.8150 8.0083 8.0454 k = 0.5000 0.3805 0.3476 ( 4974 PWs) bands (ev): -8.2939 -8.2938 -8.1834 -8.1828 -7.8291 -7.8287 -7.8059 -7.8055 -3.9766 -3.9661 -3.9552 -3.9359 -3.3498 -3.3300 -3.2854 -3.2788 -3.2611 -3.2574 -0.7356 -0.7135 -0.6256 -0.6149 0.1701 0.2036 1.2097 1.3056 1.4645 1.5759 1.7416 1.8240 2.0239 2.0505 2.4478 2.4890 2.8694 2.8924 3.1362 3.1769 3.2497 3.2853 3.3797 3.3968 7.2187 7.2243 7.4671 7.4847 7.7036 7.7301 7.9689 8.0014 k = 0.5000 0.3805 0.3259 ( 4976 PWs) bands (ev): -8.3035 -8.3034 -8.1855 -8.1849 -7.8218 -7.8214 -7.8018 -7.8013 -3.9754 -3.9673 -3.9561 -3.9365 -3.3496 -3.3301 -3.2861 -3.2802 -3.2614 -3.2579 -0.7518 -0.7275 -0.6163 -0.6069 0.2122 0.2486 1.2293 1.3274 1.4773 1.5825 1.7395 1.8237 2.0227 2.0485 2.4522 2.4915 2.8530 2.8772 3.1126 3.1651 3.2420 3.2830 3.3668 3.3848 7.2166 7.2258 7.4267 7.4373 7.6240 7.6469 7.9395 7.9692 k = 0.5000 0.3805 0.3041 ( 4968 PWs) bands (ev): -8.3128 -8.3127 -8.1878 -8.1873 -7.8145 -7.8141 -7.7975 -7.7970 -3.9741 -3.9683 -3.9570 -3.9370 -3.3494 -3.3296 -3.2872 -3.2810 -3.2618 -3.2582 -0.7711 -0.7454 -0.6091 -0.6009 0.2570 0.2955 1.2493 1.3480 1.4898 1.5854 1.7391 1.8232 2.0252 2.0569 2.4581 2.4956 2.8367 2.8620 3.0880 3.1501 3.2372 3.2826 3.3556 3.3742 7.2032 7.2190 7.3838 7.3913 7.5465 7.5665 7.9202 7.9489 k = 0.5000 0.3805 0.2824 ( 4968 PWs) bands (ev): -8.3218 -8.3217 -8.1903 -8.1898 -7.8074 -7.8070 -7.7930 -7.7925 -3.9728 -3.9689 -3.9579 -3.9375 -3.3493 -3.3286 -3.2888 -3.2813 -3.2623 -3.2585 -0.7928 -0.7664 -0.6039 -0.5969 0.3037 0.3436 1.2694 1.3667 1.5011 1.5841 1.7406 1.8226 2.0326 2.0750 2.4652 2.5010 2.8205 2.8470 3.0627 3.1319 3.2353 3.2835 3.3459 3.3652 7.1827 7.2041 7.3381 7.3475 7.4722 7.4896 7.9101 7.9392 k = 0.5000 0.3805 0.2607 ( 4984 PWs) bands (ev): -8.3303 -8.3303 -8.1930 -8.1924 -7.8006 -7.8002 -7.7885 -7.7880 -3.9721 -3.9686 -3.9588 -3.9379 -3.3491 -3.3272 -3.2904 -3.2812 -3.2629 -3.2587 -0.8161 -0.7896 -0.6006 -0.5946 0.3515 0.3921 1.2891 1.3832 1.5103 1.5788 1.7438 1.8218 2.0470 2.1013 2.4733 2.5075 2.8047 2.8321 3.0364 3.1110 3.2359 3.2856 3.3377 3.3576 7.1581 7.1834 7.2917 7.3040 7.4019 7.4169 7.9076 7.9375 k = 0.5000 0.3805 0.2390 ( 4992 PWs) bands (ev): -8.3384 -8.3383 -8.1957 -8.1951 -7.7940 -7.7936 -7.7840 -7.7835 -3.9722 -3.9672 -3.9598 -3.9384 -3.3488 -3.3256 -3.2919 -3.2809 -3.2635 -3.2590 -0.8400 -0.8140 -0.5988 -0.5937 0.3998 0.4405 1.3080 1.3976 1.5164 1.5701 1.7484 1.8208 2.0689 2.1346 2.4822 2.5150 2.7893 2.8175 3.0093 3.0879 3.2383 3.2884 3.3307 3.3513 7.1318 7.1595 7.2458 7.2604 7.3363 7.3488 7.9106 7.9413 k = 0.5000 0.3805 0.2172 ( 4998 PWs) bands (ev): -8.3459 -8.3458 -8.1984 -8.1979 -7.7877 -7.7873 -7.7796 -7.7791 -3.9726 -3.9654 -3.9607 -3.9388 -3.3485 -3.3241 -3.2930 -3.2804 -3.2643 -3.2593 -0.8640 -0.8390 -0.5983 -0.5940 0.4478 0.4879 1.3259 1.4099 1.5190 1.5587 1.7538 1.8197 2.0986 2.1737 2.4916 2.5232 2.7745 2.8032 2.9812 3.0630 3.2420 3.2920 3.3247 3.3461 7.1058 7.1345 7.2011 7.2174 7.2761 7.2861 7.9169 7.9482 k = 0.5000 0.3805 0.1955 ( 5002 PWs) bands (ev): -8.3528 -8.3528 -8.2010 -8.2005 -7.7818 -7.7815 -7.7754 -7.7749 -3.9729 -3.9633 -3.9618 -3.9392 -3.3480 -3.3230 -3.2933 -3.2799 -3.2650 -3.2596 -0.8874 -0.8639 -0.5989 -0.5953 0.4949 0.5339 1.3424 1.4203 1.5182 1.5452 1.7595 1.8185 2.1353 2.2176 2.5015 2.5321 2.7603 2.7891 2.9521 3.0365 3.2467 3.2959 3.3197 3.3420 7.0813 7.1101 7.1578 7.1754 7.2217 7.2298 7.9215 7.9297 k = 0.5000 0.3805 0.1738 ( 5002 PWs) bands (ev): -8.3592 -8.3591 -8.2036 -8.2031 -7.7764 -7.7761 -7.7714 -7.7709 -3.9731 -3.9628 -3.9611 -3.9397 -3.3472 -3.3225 -3.2929 -3.2793 -3.2658 -3.2602 -0.9097 -0.8880 -0.6003 -0.5972 0.5405 0.5778 1.3576 1.4290 1.5143 1.5305 1.7654 1.8173 2.1777 2.2650 2.5115 2.5413 2.7470 2.7754 2.9219 3.0083 3.2520 3.3001 3.3154 3.3388 7.0589 7.0870 7.1165 7.1349 7.1735 7.1809 7.8780 7.9083 k = 0.5000 0.3805 0.1521 ( 5002 PWs) bands (ev): -8.3648 -8.3648 -8.2059 -8.2055 -7.7715 -7.7712 -7.7677 -7.7672 -3.9732 -3.9638 -3.9590 -3.9402 -3.3463 -3.3227 -3.2916 -3.2786 -3.2667 -3.2609 -0.9303 -0.9107 -0.6022 -0.5996 0.5839 0.6189 1.3711 1.4361 1.5074 1.5157 1.7711 1.8159 2.2246 2.3148 2.5216 2.5506 2.7346 2.7620 2.8905 2.9786 3.2577 3.3043 3.3119 3.3362 7.0391 7.0644 7.0794 7.0959 7.1323 7.1400 7.8303 7.8583 k = 0.5000 0.3805 0.1303 ( 5002 PWs) bands (ev): -8.3698 -8.3698 -8.2080 -8.2077 -7.7671 -7.7668 -7.7644 -7.7640 -3.9731 -3.9648 -3.9569 -3.9407 -3.3452 -3.3236 -3.2896 -3.2778 -3.2675 -3.2618 -0.9489 -0.9316 -0.6044 -0.6023 0.6244 0.6564 1.3830 1.4417 1.4962 1.5036 1.7766 1.8146 2.2743 2.3657 2.5316 2.5597 2.7235 2.7490 2.8579 2.9472 3.2635 3.3075 3.3096 3.3343 7.0213 7.0364 7.0537 7.0597 7.0989 7.1062 7.7842 7.8092 k = 0.5000 0.3805 0.1086 ( 4994 PWs) bands (ev): -8.3741 -8.3740 -8.2099 -8.2096 -7.7634 -7.7631 -7.7614 -7.7611 -3.9729 -3.9658 -3.9548 -3.9414 -3.3439 -3.3250 -3.2871 -3.2771 -3.2684 -3.2629 -0.9649 -0.9502 -0.6066 -0.6049 0.6613 0.6897 1.3932 1.4458 1.4822 1.4942 1.7818 1.8131 2.3256 2.4166 2.5415 2.5681 2.7140 2.7364 2.8242 2.9141 3.2691 3.3056 3.3127 3.3327 7.0022 7.0083 7.0286 7.0372 7.0728 7.0789 7.7414 7.7632 k = 0.5000 0.3805 0.0869 ( 4994 PWs) bands (ev): -8.3776 -8.3776 -8.2115 -8.2112 -7.7602 -7.7600 -7.7590 -7.7587 -3.9726 -3.9668 -3.9529 -3.9421 -3.3424 -3.3268 -3.2842 -3.2763 -3.2693 -3.2643 -0.9782 -0.9663 -0.6087 -0.6073 0.6939 0.7179 1.4017 1.4479 1.4694 1.4857 1.7867 1.8116 2.3772 2.4657 2.5511 2.5754 2.7068 2.7241 2.7899 2.8794 3.2745 3.3030 3.3162 3.3315 6.9780 6.9861 7.0089 7.0231 7.0533 7.0579 7.7038 7.7220 k = 0.5000 0.3805 0.0652 ( 4998 PWs) bands (ev): -8.3803 -8.3803 -8.2127 -8.2125 -7.7578 -7.7576 -7.7570 -7.7568 -3.9722 -3.9678 -3.9510 -3.9430 -3.3408 -3.3287 -3.2812 -3.2754 -3.2702 -3.2660 -0.9885 -0.9794 -0.6104 -0.6094 0.7213 0.7401 1.4085 1.4457 1.4615 1.4783 1.7913 1.8098 2.4278 2.5104 2.5604 2.5809 2.7029 2.7124 2.7565 2.8434 3.2796 3.3004 3.3194 3.3303 6.9575 6.9650 6.9982 7.0110 7.0398 7.0428 7.6729 7.6871 k = 0.5000 0.3805 0.0434 ( 5000 PWs) bands (ev): -8.3823 -8.3823 -8.2136 -8.2135 -7.7560 -7.7558 -7.7555 -7.7554 -3.9717 -3.9687 -3.9493 -3.9439 -3.3389 -3.3308 -3.2783 -3.2746 -3.2711 -3.2679 -0.9955 -0.9894 -0.6117 -0.6111 0.7426 0.7556 1.4141 1.4384 1.4603 1.4721 1.7954 1.8077 2.4758 2.5451 2.5698 2.5839 2.7007 2.7037 2.7278 2.8068 3.2841 3.2978 3.3221 3.3292 6.9428 6.9482 6.9920 7.0010 7.0312 7.0329 7.6503 7.6602 k = 0.5000 0.3805 0.0217 ( 5004 PWs) bands (ev): -8.3835 -8.3835 -8.2142 -8.2141 -7.7549 -7.7549 -7.7546 -7.7545 -3.9710 -3.9695 -3.9478 -3.9451 -3.3370 -3.3329 -3.2754 -3.2737 -3.2720 -3.2702 -0.9991 -0.9961 -0.6125 -0.6121 0.7572 0.7638 1.4190 1.4307 1.4617 1.4675 1.7991 1.8052 2.5188 2.5606 2.5783 2.5836 2.6923 2.7011 2.7198 2.7710 3.2882 3.2949 3.3245 3.3279 6.9344 6.9372 6.9893 6.9938 7.0266 7.0274 7.6373 7.6424 k = 0.5000 0.3805 0.0000 ( 5000 PWs) bands (ev): -8.3839 -8.3839 -8.2143 -8.2143 -7.7546 -7.7546 -7.7542 -7.7542 -3.9703 -3.9703 -3.9463 -3.9463 -3.3350 -3.3350 -3.2730 -3.2730 -3.2725 -3.2725 -0.9993 -0.9993 -0.6126 -0.6126 0.7643 0.7643 1.4243 1.4243 1.4641 1.4641 1.8024 1.8024 2.5511 2.5511 2.5813 2.5813 2.6927 2.6927 2.7397 2.7397 3.2917 3.2917 3.3263 3.3263 6.9326 6.9326 6.9899 6.9899 7.0254 7.0254 7.6346 7.6346 k = 0.0000 0.0000 0.8256 ( 5016 PWs) bands (ev): -8.2057 -8.2057 -8.1384 -8.1384 -7.9109 -7.9109 -7.8300 -7.8300 -3.9484 -3.9484 -3.9310 -3.9310 -3.2976 -3.2976 -3.2716 -3.2716 -3.2404 -3.2404 -1.1415 -1.1415 -0.9705 -0.9705 -0.0194 -0.0194 1.0774 1.0774 1.3678 1.3678 1.7698 1.7698 2.6113 2.6113 2.7603 2.7603 3.0991 3.0991 3.3610 3.3610 3.5721 3.5721 3.7057 3.7057 6.4409 6.4409 7.3965 7.3965 7.9890 7.9890 8.9083 8.9083 k = 0.0167 0.0127 0.8256 ( 5026 PWs) bands (ev): -8.2057 -8.2057 -8.1384 -8.1384 -7.9109 -7.9109 -7.8301 -7.8300 -3.9492 -3.9476 -3.9311 -3.9310 -3.2986 -3.2967 -3.2719 -3.2713 -3.2407 -3.2402 -1.1405 -1.1402 -0.9703 -0.9700 -0.0242 -0.0221 1.0716 1.0746 1.3718 1.3727 1.7721 1.7806 2.6095 2.6095 2.7592 2.7613 3.0982 3.0999 3.3606 3.3609 3.5696 3.5701 3.7035 3.7041 6.4444 6.4445 7.3982 7.3988 7.9861 7.9863 8.9087 8.9088 k = 0.0333 0.0254 0.8256 ( 5030 PWs) bands (ev): -8.2057 -8.2057 -8.1385 -8.1384 -7.9110 -7.9110 -7.8301 -7.8300 -3.9499 -3.9468 -3.9312 -3.9309 -3.2995 -3.2958 -3.2721 -3.2709 -3.2412 -3.2401 -1.1373 -1.1366 -0.9692 -0.9686 -0.0361 -0.0319 1.0577 1.0637 1.3843 1.3867 1.7873 1.8038 2.6039 2.6040 2.7578 2.7621 3.0970 3.1005 3.3597 3.3604 3.5625 3.5636 3.6978 3.6988 6.4550 6.4552 7.4039 7.4050 7.9777 7.9781 8.9099 8.9101 k = 0.0500 0.0381 0.8256 ( 5022 PWs) bands (ev): -8.2056 -8.2056 -8.1385 -8.1384 -7.9110 -7.9110 -7.8302 -7.8300 -3.9506 -3.9459 -3.9314 -3.9309 -3.3004 -3.2948 -3.2724 -3.2705 -3.2418 -3.2401 -1.1319 -1.1308 -0.9674 -0.9665 -0.0543 -0.0482 1.0370 1.0457 1.4053 1.4098 1.8136 1.8373 2.5947 2.5948 2.7561 2.7627 3.0955 3.1010 3.3582 3.3592 3.5514 3.5529 3.6887 3.6901 6.4723 6.4726 7.4133 7.4150 7.9638 7.9643 8.9118 8.9121 k = 0.0667 0.0507 0.8256 ( 5014 PWs) bands (ev): -8.2056 -8.2056 -8.1385 -8.1383 -7.9111 -7.9111 -7.8302 -7.8299 -3.9513 -3.9451 -3.9315 -3.9309 -3.3012 -3.2939 -3.2726 -3.2700 -3.2424 -3.2402 -1.1245 -1.1229 -0.9649 -0.9637 -0.0780 -0.0702 1.0112 1.0223 1.4342 1.4413 1.8488 1.8788 2.5818 2.5820 2.7539 2.7631 3.0936 3.1016 3.3560 3.3571 3.5368 3.5386 3.6767 3.6784 6.4959 6.4963 7.4261 7.4283 7.9446 7.9453 8.9142 8.9146 k = 0.0833 0.0634 0.8256 ( 5008 PWs) bands (ev): -8.2055 -8.2055 -8.1384 -8.1383 -7.9112 -7.9112 -7.8303 -7.8299 -3.9519 -3.9443 -3.9317 -3.9309 -3.3021 -3.2930 -3.2728 -3.2695 -3.2432 -3.2404 -1.1152 -1.1132 -0.9618 -0.9603 -0.1060 -0.0966 0.9824 0.9954 1.4701 1.4801 1.8905 1.9263 2.5652 2.5654 2.7513 2.7633 3.0913 3.1023 3.3527 3.3536 3.5196 3.5216 3.6624 3.6643 6.5251 6.5258 7.4418 7.4445 7.9203 7.9211 8.9169 8.9175 k = 0.1000 0.0761 0.8256 ( 5006 PWs) bands (ev): -8.2054 -8.2054 -8.1384 -8.1383 -7.9114 -7.9113 -7.8304 -7.8299 -3.9525 -3.9435 -3.9319 -3.9309 -3.3029 -3.2920 -3.2731 -3.2689 -3.2441 -3.2407 -1.1043 -1.1018 -0.9583 -0.9564 -0.1369 -0.1261 0.9523 0.9667 1.5120 1.5249 1.9365 1.9777 2.5449 2.5453 2.7479 2.7631 3.0885 3.1034 3.3478 3.3482 3.5010 3.5032 3.6465 3.6483 6.5591 6.5600 7.4598 7.4630 7.8914 7.8923 8.9197 8.9204 k = 0.1167 0.0888 0.8256 ( 5010 PWs) bands (ev): -8.2053 -8.2053 -8.1384 -8.1382 -7.9115 -7.9115 -7.8304 -7.8299 -3.9530 -3.9427 -3.9321 -3.9309 -3.3037 -3.2911 -3.2733 -3.2682 -3.2450 -3.2409 -1.0922 -1.0890 -0.9544 -0.9523 -0.1695 -0.1575 0.9223 0.9378 1.5583 1.5743 1.9848 2.0314 2.5212 2.5217 2.7436 2.7625 3.0852 3.1050 3.3397 3.3408 3.4827 3.4850 3.6297 3.6312 6.5970 6.5982 7.4793 7.4829 7.8584 7.8594 8.9221 8.9231 k = 0.1333 0.1015 0.8256 ( 5016 PWs) bands (ev): -8.2052 -8.2052 -8.1384 -8.1382 -7.9116 -7.9116 -7.8305 -7.8300 -3.9534 -3.9419 -3.9324 -3.9309 -3.3044 -3.2902 -3.2736 -3.2675 -3.2460 -3.2413 -1.0792 -1.0753 -0.9505 -0.9479 -0.2025 -0.1894 0.8936 0.9098 1.6076 1.6270 2.0339 2.0858 2.4942 2.4950 2.7381 2.7615 3.0813 3.1072 3.3272 3.3311 3.4660 3.4689 3.6127 3.6138 6.6374 6.6390 7.4996 7.5035 7.8223 7.8236 8.9240 8.9253 k = 0.1500 0.1142 0.8256 ( 5012 PWs) bands (ev): -8.2051 -8.2051 -8.1384 -8.1381 -7.9118 -7.9117 -7.8306 -7.8300 -3.9539 -3.9412 -3.9327 -3.9309 -3.3051 -3.2894 -3.2739 -3.2668 -3.2470 -3.2416 -1.0658 -1.0612 -0.9466 -0.9436 -0.2347 -0.2206 0.8671 0.8839 1.6584 1.6814 2.0821 2.1390 2.4644 2.4660 2.7313 2.7599 3.0767 3.1105 3.3100 3.3186 3.4525 3.4563 3.5962 3.5966 6.6792 6.6813 7.5199 7.5236 7.7843 7.7860 8.9253 8.9269 k = 0.1667 0.1268 0.8256 ( 5004 PWs) bands (ev): -8.2050 -8.2050 -8.1384 -8.1381 -7.9119 -7.9119 -7.8306 -7.8300 -3.9542 -3.9405 -3.9330 -3.9310 -3.3056 -3.2886 -3.2742 -3.2660 -3.2480 -3.2419 -1.0526 -1.0472 -0.9429 -0.9395 -0.2649 -0.2499 0.8435 0.8608 1.7091 1.7361 2.1280 2.1886 2.4325 2.4363 2.7229 2.7577 3.0716 3.1149 3.2886 3.3041 3.4426 3.4478 3.5804 3.5809 6.7206 6.7233 7.5391 7.5424 7.7460 7.7484 8.9257 8.9277 k = 0.1833 0.1395 0.8256 ( 4994 PWs) bands (ev): -8.2049 -8.2049 -8.1384 -8.1381 -7.9120 -7.9120 -7.8307 -7.8300 -3.9545 -3.9398 -3.9332 -3.9310 -3.3061 -3.2878 -3.2746 -3.2652 -3.2490 -3.2422 -1.0404 -1.0341 -0.9396 -0.9357 -0.2919 -0.2761 0.8235 0.8410 1.7576 1.7892 2.1699 2.2310 2.3995 2.4090 2.7131 2.7551 3.0662 3.1210 3.2645 3.2892 3.4359 3.4428 3.5659 3.5673 6.7598 6.7630 7.5565 7.5585 7.7092 7.7130 8.9255 8.9278 k = 0.2000 0.1522 0.8256 ( 4984 PWs) bands (ev): -8.2049 -8.2048 -8.1383 -8.1381 -7.9121 -7.9121 -7.8307 -7.8300 -3.9547 -3.9393 -3.9335 -3.9310 -3.3065 -3.2872 -3.2748 -3.2645 -3.2499 -3.2425 -1.0298 -1.0227 -0.9368 -0.9325 -0.3144 -0.2980 0.8075 0.8252 1.8015 1.8383 2.2066 2.2591 2.3671 2.3908 2.7022 2.7524 3.0609 3.1291 3.2396 3.2756 3.4318 3.4403 3.5536 3.5562 6.7944 6.7982 7.5705 7.5713 7.6761 7.6827 8.9248 8.9274 k = 0.2167 0.1649 0.8256 ( 4988 PWs) bands (ev): -8.2048 -8.2048 -8.1383 -8.1380 -7.9121 -7.9121 -7.8307 -7.8300 -3.9549 -3.9389 -3.9337 -3.9310 -3.3068 -3.2868 -3.2751 -3.2640 -3.2506 -3.2426 -1.0217 -1.0137 -0.9348 -0.9300 -0.3315 -0.3145 0.7958 0.8137 1.8374 1.8798 2.2371 2.2659 2.3370 2.3890 2.6915 2.7499 3.0563 3.1395 3.2155 3.2650 3.4295 3.4393 3.5442 3.5478 6.8219 6.8262 7.5772 7.5829 7.6493 7.6606 8.9239 8.9268 k = 0.2333 0.1776 0.8256 ( 4992 PWs) bands (ev): -8.2048 -8.2047 -8.1383 -8.1380 -7.9122 -7.9122 -7.8307 -7.8300 -3.9550 -3.9386 -3.9339 -3.9310 -3.3069 -3.2865 -3.2752 -3.2636 -3.2510 -3.2428 -1.0165 -1.0080 -0.9335 -0.9284 -0.3422 -0.3249 0.7887 0.8066 1.8615 1.9087 2.2593 2.2613 2.3115 2.3972 2.6834 2.7480 3.0532 3.1518 3.1942 3.2582 3.4283 3.4392 3.5383 3.5425 6.8397 6.8444 7.5788 7.5907 7.6312 7.6486 8.9233 8.9263 k = 0.2500 0.1903 0.8256 ( 4984 PWs) bands (ev): -8.2048 -8.2047 -8.1383 -8.1380 -7.9122 -7.9122 -7.8308 -7.8300 -3.9550 -3.9385 -3.9340 -3.9310 -3.3070 -3.2864 -3.2753 -3.2634 -3.2512 -3.2428 -1.0147 -1.0061 -0.9330 -0.9279 -0.3458 -0.3284 0.7863 0.8043 1.8701 1.9193 2.2550 2.2754 2.2966 2.4016 2.6802 2.7474 3.0520 3.1609 3.1821 3.2559 3.4280 3.4392 3.5362 3.5408 6.8459 6.8508 7.5785 7.5938 7.6245 7.6452 8.9230 8.9261 Writing output data file Al2CdSe4.save init_run : 5.33s CPU 11.57s WALL ( 1 calls) electrons : 949.97s CPU 958.32s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.75s CPU 2.04s WALL ( 1 calls) Called by electrons: c_bands : 949.90s CPU 957.85s WALL ( 1 calls) v_of_rho : 0.34s CPU 1.05s WALL ( 1 calls) v_h : 0.03s CPU 0.08s WALL ( 1 calls) v_xc : 0.30s CPU 0.67s WALL ( 1 calls) newd : 0.79s CPU 1.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.14s WALL ( 269 calls) cegterg : 902.26s CPU 907.33s WALL ( 799 calls) Called by sum_band: Called by *egterg: h_psi : 549.45s CPU 558.76s WALL ( 14518 calls) s_psi : 26.02s CPU 26.61s WALL ( 14518 calls) g_psi : 0.73s CPU 0.77s WALL ( 13450 calls) cdiaghg : 252.16s CPU 249.09s WALL ( 13719 calls) cegterg:over : 53.23s CPU 49.94s WALL ( 13450 calls) cegterg:upda : 12.59s CPU 16.66s WALL ( 13450 calls) cegterg:last : 10.19s CPU 10.93s WALL ( 1930 calls) Called by h_psi: h_psi:vloc : 489.21s CPU 497.52s WALL ( 14518 calls) h_psi:vnl : 59.78s CPU 60.35s WALL ( 14518 calls) add_vuspsi : 18.60s CPU 22.95s WALL ( 14518 calls) General routines calbec : 41.12s CPU 37.28s WALL ( 14518 calls) fft : 0.54s CPU 1.39s WALL ( 19 calls) ffts : 0.10s CPU 0.27s WALL ( 4 calls) fftw : 395.16s CPU 398.87s WALL ( 1139616 calls) interpolate : 0.22s CPU 0.42s WALL ( 4 calls) davcio : 0.03s CPU 1.09s WALL ( 538 calls) Parallel routines fft_scatter : 230.85s CPU 230.47s WALL ( 1139639 calls) PWSCF : 16m42.14s CPU 17m44.49s WALL This run was terminated on: 14:13:44 25Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=