Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:32:27 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 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 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: ./C5S3.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 85 42 12 1663 579 96 Max 86 43 13 1664 597 99 Sum 3071 1547 459 59881 21247 3527 bravais-lattice index = 14 lattice parameter (alat) = 12.4723 a.u. unit-cell volume = 599.5263 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 38.00 number of Kohn-Sham states= 46 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.472335 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.867819 celldm(5)= -0.780933 celldm(6)= 0.648753 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.648753 0.760999 0.000000 ) a(3) = ( -0.780933 -0.474622 0.406051 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.852501 0.926774 ) b(2) = ( 0.000000 1.314061 1.535970 ) b(3) = ( 0.000000 0.000000 2.462745 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 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 C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) C 4.00 12.01070 C( 1.00) 2 Sym. Ops., with inversion, 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 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 413 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024213 k( 2) = ( -0.0054008 0.0117013 0.0165911), wk = 0.0024213 k( 3) = ( -0.0108017 0.0234026 0.0331822), wk = 0.0024213 k( 4) = ( -0.0162025 0.0351038 0.0497733), wk = 0.0024213 k( 5) = ( -0.0216034 0.0468051 0.0663644), wk = 0.0024213 k( 6) = ( -0.0270043 0.0585064 0.0829554), wk = 0.0024213 k( 7) = ( -0.0324051 0.0702077 0.0995465), wk = 0.0024213 k( 8) = ( -0.0378059 0.0819089 0.1161376), wk = 0.0024213 k( 9) = ( -0.0432068 0.0936102 0.1327287), wk = 0.0024213 k( 10) = ( -0.0486077 0.1053115 0.1493198), wk = 0.0024213 k( 11) = ( -0.0540085 0.1170128 0.1659109), wk = 0.0024213 k( 12) = ( -0.0594094 0.1287141 0.1825020), wk = 0.0024213 k( 13) = ( -0.0648102 0.1404153 0.1990931), wk = 0.0024213 k( 14) = ( -0.0702111 0.1521166 0.2156842), wk = 0.0024213 k( 15) = ( -0.0756119 0.1638179 0.2322753), wk = 0.0024213 k( 16) = ( -0.0810128 0.1755192 0.2488664), wk = 0.0024213 k( 17) = ( -0.0864136 0.1872205 0.2654575), wk = 0.0024213 k( 18) = ( -0.0918145 0.1989217 0.2820485), wk = 0.0024213 k( 19) = ( -0.0972153 0.2106230 0.2986396), wk = 0.0024213 k( 20) = ( -0.1026162 0.2223243 0.3152307), wk = 0.0024213 k( 21) = ( -0.1080170 0.2340256 0.3318218), wk = 0.0024213 k( 22) = ( -0.1134179 0.2457268 0.3484129), wk = 0.0024213 k( 23) = ( -0.1188187 0.2574281 0.3650040), wk = 0.0024213 k( 24) = ( -0.1242196 0.2691294 0.3815951), wk = 0.0024213 k( 25) = ( -0.1296204 0.2808307 0.3981862), wk = 0.0024213 k( 26) = ( -0.1350213 0.2925319 0.4147772), wk = 0.0024213 k( 27) = ( -0.1404221 0.3042332 0.4313683), wk = 0.0024213 k( 28) = ( -0.1458230 0.3159345 0.4479594), wk = 0.0024213 k( 29) = ( -0.1512238 0.3276358 0.4645505), wk = 0.0024213 k( 30) = ( -0.1566247 0.3393371 0.4811416), wk = 0.0024213 k( 31) = ( -0.1620255 0.3510383 0.4977327), wk = 0.0024213 k( 32) = ( -0.1674264 0.3627396 0.5143238), wk = 0.0024213 k( 33) = ( -0.1728272 0.3744409 0.5309149), wk = 0.0024213 k( 34) = ( -0.1782281 0.3861422 0.5475060), wk = 0.0024213 k( 35) = ( -0.1836289 0.3978435 0.5640971), wk = 0.0024213 k( 36) = ( -0.1890298 0.4095447 0.5806882), wk = 0.0024213 k( 37) = ( -0.1944306 0.4212460 0.5972793), wk = 0.0024213 k( 38) = ( -0.1998315 0.4329473 0.6138703), wk = 0.0024213 k( 39) = ( -0.2052323 0.4446486 0.6304614), wk = 0.0024213 k( 40) = ( -0.2106332 0.4563498 0.6470525), wk = 0.0024213 k( 41) = ( -0.2160340 0.4680511 0.6636436), wk = 0.0024213 k( 42) = ( -0.2214349 0.4797524 0.6802347), wk = 0.0024213 k( 43) = ( -0.2268357 0.4914537 0.6968258), wk = 0.0024213 k( 44) = ( -0.2322366 0.5031550 0.7134169), wk = 0.0024213 k( 45) = ( -0.2376374 0.5148562 0.7300080), wk = 0.0024213 k( 46) = ( -0.2430383 0.5265575 0.7465991), wk = 0.0024213 k( 47) = ( -0.2484391 0.5382588 0.7631901), wk = 0.0024213 k( 48) = ( -0.2538400 0.5499601 0.7797812), wk = 0.0024213 k( 49) = ( -0.2592408 0.5616613 0.7963723), wk = 0.0024213 k( 50) = ( -0.2646417 0.5733626 0.8129634), wk = 0.0024213 k( 51) = ( -0.2700425 0.5850639 0.8295545), wk = 0.0024213 k( 52) = ( -0.2700425 0.5850639 0.8295545), wk = 0.0024213 k( 53) = ( -0.2632681 0.5703866 0.8421113), wk = 0.0024213 k( 54) = ( -0.2564936 0.5557093 0.8546681), wk = 0.0024213 k( 55) = ( -0.2497191 0.5410320 0.8672249), wk = 0.0024213 k( 56) = ( -0.2429447 0.5263547 0.8797817), wk = 0.0024213 k( 57) = ( -0.2361702 0.5116774 0.8923385), wk = 0.0024213 k( 58) = ( -0.2293957 0.4970001 0.9048954), wk = 0.0024213 k( 59) = ( -0.2226212 0.4823228 0.9174521), wk = 0.0024213 k( 60) = ( -0.2158468 0.4676455 0.9300090), wk = 0.0024213 k( 61) = ( -0.2090723 0.4529682 0.9425658), wk = 0.0024213 k( 62) = ( -0.2022979 0.4382909 0.9551226), wk = 0.0024213 k( 63) = ( -0.1955234 0.4236136 0.9676794), wk = 0.0024213 k( 64) = ( -0.1887489 0.4089363 0.9802362), wk = 0.0024213 k( 65) = ( -0.1819745 0.3942589 0.9927930), wk = 0.0024213 k( 66) = ( -0.1752000 0.3795816 1.0053498), wk = 0.0024213 k( 67) = ( -0.1684255 0.3649043 1.0179066), wk = 0.0024213 k( 68) = ( -0.1616510 0.3502270 1.0304634), wk = 0.0024213 k( 69) = ( -0.1548766 0.3355497 1.0430202), wk = 0.0024213 k( 70) = ( -0.1481021 0.3208724 1.0555770), wk = 0.0024213 k( 71) = ( -0.1413276 0.3061951 1.0681338), wk = 0.0024213 k( 72) = ( -0.1345532 0.2915178 1.0806906), wk = 0.0024213 k( 73) = ( -0.1277787 0.2768405 1.0932474), wk = 0.0024213 k( 74) = ( -0.1210042 0.2621632 1.1058042), wk = 0.0024213 k( 75) = ( -0.1142298 0.2474859 1.1183610), wk = 0.0024213 k( 76) = ( -0.1074553 0.2328086 1.1309178), wk = 0.0024213 k( 77) = ( -0.1006809 0.2181313 1.1434746), wk = 0.0024213 k( 78) = ( -0.0939064 0.2034540 1.1560315), wk = 0.0024213 k( 79) = ( -0.0871319 0.1887767 1.1685882), wk = 0.0024213 k( 80) = ( -0.0803574 0.1740994 1.1811451), wk = 0.0024213 k( 81) = ( -0.0735830 0.1594221 1.1937019), wk = 0.0024213 k( 82) = ( -0.0668085 0.1447448 1.2062587), wk = 0.0024213 k( 83) = ( -0.0600340 0.1300675 1.2188155), wk = 0.0024213 k( 84) = ( -0.0532596 0.1153902 1.2313723), wk = 0.0024213 k( 85) = ( -0.0532596 0.1153902 1.2313723), wk = 0.0024213 k( 86) = ( -0.0456511 0.0989059 1.2313723), wk = 0.0024213 k( 87) = ( -0.0380426 0.0824216 1.2313723), wk = 0.0024213 k( 88) = ( -0.0304340 0.0659372 1.2313723), wk = 0.0024213 k( 89) = ( -0.0228255 0.0494529 1.2313723), wk = 0.0024213 k( 90) = ( -0.0152170 0.0329686 1.2313723), wk = 0.0024213 k( 91) = ( -0.0076085 0.0164843 1.2313723), wk = 0.0024213 k( 92) = ( 0.0000000 0.0000000 1.2313723), wk = 0.0024213 k( 93) = ( 0.0000000 0.0000000 1.2313723), wk = 0.0024213 k( 94) = ( 0.0178571 0.0082422 1.2313723), wk = 0.0024213 k( 95) = ( 0.0357143 0.0164843 1.2313723), wk = 0.0024213 k( 96) = ( 0.0535714 0.0247265 1.2313723), wk = 0.0024213 k( 97) = ( 0.0714286 0.0329686 1.2313723), wk = 0.0024213 k( 98) = ( 0.0892857 0.0412108 1.2313723), wk = 0.0024213 k( 99) = ( 0.1071429 0.0494529 1.2313723), wk = 0.0024213 k( 100) = ( 0.1250000 0.0576951 1.2313723), wk = 0.0024213 k( 101) = ( 0.1428571 0.0659372 1.2313723), wk = 0.0024213 k( 102) = ( 0.1607143 0.0741794 1.2313723), wk = 0.0024213 k( 103) = ( 0.1785714 0.0824216 1.2313723), wk = 0.0024213 k( 104) = ( 0.1964286 0.0906637 1.2313723), wk = 0.0024213 k( 105) = ( 0.2142857 0.0989059 1.2313723), wk = 0.0024213 k( 106) = ( 0.2321429 0.1071480 1.2313723), wk = 0.0024213 k( 107) = ( 0.2500000 0.1153902 1.2313723), wk = 0.0024213 k( 108) = ( 0.2500000 0.1153902 1.2313723), wk = 0.0024213 k( 109) = ( 0.2430556 0.1304357 1.2185004), wk = 0.0024213 k( 110) = ( 0.2361111 0.1454813 1.2056285), wk = 0.0024213 k( 111) = ( 0.2291667 0.1605269 1.1927567), wk = 0.0024213 k( 112) = ( 0.2222222 0.1755725 1.1798848), wk = 0.0024213 k( 113) = ( 0.2152778 0.1906180 1.1670130), wk = 0.0024213 k( 114) = ( 0.2083333 0.2056636 1.1541411), wk = 0.0024213 k( 115) = ( 0.2013889 0.2207092 1.1412692), wk = 0.0024213 k( 116) = ( 0.1944444 0.2357548 1.1283973), wk = 0.0024213 k( 117) = ( 0.1875000 0.2508003 1.1155255), wk = 0.0024213 k( 118) = ( 0.1805556 0.2658459 1.1026536), wk = 0.0024213 k( 119) = ( 0.1736111 0.2808915 1.0897817), wk = 0.0024213 k( 120) = ( 0.1666667 0.2959370 1.0769099), wk = 0.0024213 k( 121) = ( 0.1597222 0.3109826 1.0640380), wk = 0.0024213 k( 122) = ( 0.1527778 0.3260282 1.0511661), wk = 0.0024213 k( 123) = ( 0.1458333 0.3410737 1.0382943), wk = 0.0024213 k( 124) = ( 0.1388889 0.3561193 1.0254224), wk = 0.0024213 k( 125) = ( 0.1319444 0.3711649 1.0125505), wk = 0.0024213 k( 126) = ( 0.1250000 0.3862104 0.9996787), wk = 0.0024213 k( 127) = ( 0.1180556 0.4012560 0.9868068), wk = 0.0024213 k( 128) = ( 0.1111111 0.4163016 0.9739349), wk = 0.0024213 k( 129) = ( 0.1041667 0.4313472 0.9610631), wk = 0.0024213 k( 130) = ( 0.0972222 0.4463927 0.9481912), wk = 0.0024213 k( 131) = ( 0.0902778 0.4614383 0.9353193), wk = 0.0024213 k( 132) = ( 0.0833333 0.4764839 0.9224475), wk = 0.0024213 k( 133) = ( 0.0763889 0.4915294 0.9095756), wk = 0.0024213 k( 134) = ( 0.0694444 0.5065750 0.8967037), wk = 0.0024213 k( 135) = ( 0.0625000 0.5216206 0.8838319), wk = 0.0024213 k( 136) = ( 0.0555556 0.5366661 0.8709600), wk = 0.0024213 k( 137) = ( 0.0486111 0.5517117 0.8580881), wk = 0.0024213 k( 138) = ( 0.0416667 0.5667573 0.8452163), wk = 0.0024213 k( 139) = ( 0.0347222 0.5818029 0.8323444), wk = 0.0024213 k( 140) = ( 0.0277778 0.5968484 0.8194725), wk = 0.0024213 k( 141) = ( 0.0208333 0.6118940 0.8066007), wk = 0.0024213 k( 142) = ( 0.0138889 0.6269396 0.7937288), wk = 0.0024213 k( 143) = ( 0.0069444 0.6419851 0.7808569), wk = 0.0024213 k( 144) = ( 0.0000000 0.6570307 0.7679851), wk = 0.0024213 k( 145) = ( 0.0000000 0.6570307 0.7679851), wk = 0.0024213 k( 146) = ( 0.0192888 0.6621712 0.7635873), wk = 0.0024213 k( 147) = ( 0.0385775 0.6673117 0.7591894), wk = 0.0024213 k( 148) = ( 0.0578663 0.6724522 0.7547916), wk = 0.0024213 k( 149) = ( 0.0771550 0.6775927 0.7503938), wk = 0.0024213 k( 150) = ( 0.0964438 0.6827331 0.7459960), wk = 0.0024213 k( 151) = ( 0.1157325 0.6878736 0.7415982), wk = 0.0024213 k( 152) = ( 0.1350213 0.6930141 0.7372004), wk = 0.0024213 k( 153) = ( 0.1543100 0.6981546 0.7328025), wk = 0.0024213 k( 154) = ( 0.1735988 0.7032951 0.7284047), wk = 0.0024213 k( 155) = ( 0.1928875 0.7084356 0.7240069), wk = 0.0024213 k( 156) = ( 0.2121763 0.7135761 0.7196091), wk = 0.0024213 k( 157) = ( 0.2314650 0.7187166 0.7152113), wk = 0.0024213 k( 158) = ( 0.2507538 0.7238570 0.7108135), wk = 0.0024213 k( 159) = ( 0.2700425 0.7289975 0.7064156), wk = 0.0024213 k( 160) = ( 0.2700425 0.7289975 0.7064156), wk = 0.0024213 k( 161) = ( 0.2753904 0.7174111 0.6899874), wk = 0.0024213 k( 162) = ( 0.2807382 0.7058246 0.6735591), wk = 0.0024213 k( 163) = ( 0.2860861 0.6942382 0.6571308), wk = 0.0024213 k( 164) = ( 0.2914339 0.6826517 0.6407025), wk = 0.0024213 k( 165) = ( 0.2967818 0.6710653 0.6242743), wk = 0.0024213 k( 166) = ( 0.3021296 0.6594789 0.6078460), wk = 0.0024213 k( 167) = ( 0.3074775 0.6478924 0.5914177), wk = 0.0024213 k( 168) = ( 0.3128253 0.6363060 0.5749895), wk = 0.0024213 k( 169) = ( 0.3181732 0.6247195 0.5585612), wk = 0.0024213 k( 170) = ( 0.3235210 0.6131331 0.5421329), wk = 0.0024213 k( 171) = ( 0.3288688 0.6015466 0.5257047), wk = 0.0024213 k( 172) = ( 0.3342167 0.5899602 0.5092764), wk = 0.0024213 k( 173) = ( 0.3395646 0.5783737 0.4928481), wk = 0.0024213 k( 174) = ( 0.3449124 0.5667873 0.4764198), wk = 0.0024213 k( 175) = ( 0.3502602 0.5552008 0.4599916), wk = 0.0024213 k( 176) = ( 0.3556081 0.5436144 0.4435633), wk = 0.0024213 k( 177) = ( 0.3609559 0.5320280 0.4271351), wk = 0.0024213 k( 178) = ( 0.3663038 0.5204415 0.4107068), wk = 0.0024213 k( 179) = ( 0.3716516 0.5088551 0.3942785), wk = 0.0024213 k( 180) = ( 0.3769995 0.4972686 0.3778502), wk = 0.0024213 k( 181) = ( 0.3823473 0.4856822 0.3614219), wk = 0.0024213 k( 182) = ( 0.3876952 0.4740957 0.3449937), wk = 0.0024213 k( 183) = ( 0.3930430 0.4625093 0.3285654), wk = 0.0024213 k( 184) = ( 0.3983909 0.4509228 0.3121371), wk = 0.0024213 k( 185) = ( 0.4037387 0.4393364 0.2957089), wk = 0.0024213 k( 186) = ( 0.4090866 0.4277499 0.2792806), wk = 0.0024213 k( 187) = ( 0.4144344 0.4161635 0.2628523), wk = 0.0024213 k( 188) = ( 0.4197823 0.4045770 0.2464240), wk = 0.0024213 k( 189) = ( 0.4251301 0.3929906 0.2299958), wk = 0.0024213 k( 190) = ( 0.4304780 0.3814042 0.2135675), wk = 0.0024213 k( 191) = ( 0.4358258 0.3698177 0.1971392), wk = 0.0024213 k( 192) = ( 0.4411737 0.3582313 0.1807110), wk = 0.0024213 k( 193) = ( 0.4465215 0.3466448 0.1642827), wk = 0.0024213 k( 194) = ( 0.4518694 0.3350584 0.1478544), wk = 0.0024213 k( 195) = ( 0.4572172 0.3234719 0.1314262), wk = 0.0024213 k( 196) = ( 0.4625651 0.3118855 0.1149979), wk = 0.0024213 k( 197) = ( 0.4679129 0.3002990 0.0985696), wk = 0.0024213 k( 198) = ( 0.4732608 0.2887126 0.0821413), wk = 0.0024213 k( 199) = ( 0.4786086 0.2771261 0.0657131), wk = 0.0024213 k( 200) = ( 0.4839565 0.2655397 0.0492848), wk = 0.0024213 k( 201) = ( 0.4893043 0.2539533 0.0328566), wk = 0.0024213 k( 202) = ( 0.4946522 0.2423668 0.0164283), wk = 0.0024213 k( 203) = ( 0.5000000 0.2307804 0.0000000), wk = 0.0024213 k( 204) = ( 0.5000000 0.2307804 0.0000000), wk = 0.0024213 k( 205) = ( 0.4814815 0.2222329 0.0000000), wk = 0.0024213 k( 206) = ( 0.4629630 0.2136855 0.0000000), wk = 0.0024213 k( 207) = ( 0.4444444 0.2051381 -0.0000000), wk = 0.0024213 k( 208) = ( 0.4259259 0.1965907 0.0000000), wk = 0.0024213 k( 209) = ( 0.4074074 0.1880433 0.0000000), wk = 0.0024213 k( 210) = ( 0.3888889 0.1794958 0.0000000), wk = 0.0024213 k( 211) = ( 0.3703704 0.1709484 0.0000000), wk = 0.0024213 k( 212) = ( 0.3518519 0.1624010 0.0000000), wk = 0.0024213 k( 213) = ( 0.3333333 0.1538536 0.0000000), wk = 0.0024213 k( 214) = ( 0.3148148 0.1453062 0.0000000), wk = 0.0024213 k( 215) = ( 0.2962963 0.1367587 0.0000000), wk = 0.0024213 k( 216) = ( 0.2777778 0.1282113 0.0000000), wk = 0.0024213 k( 217) = ( 0.2592593 0.1196639 -0.0000000), wk = 0.0024213 k( 218) = ( 0.2407407 0.1111165 0.0000000), wk = 0.0024213 k( 219) = ( 0.2222222 0.1025691 -0.0000000), wk = 0.0024213 k( 220) = ( 0.2037037 0.0940216 0.0000000), wk = 0.0024213 k( 221) = ( 0.1851852 0.0854742 0.0000000), wk = 0.0024213 k( 222) = ( 0.1666667 0.0769268 0.0000000), wk = 0.0024213 k( 223) = ( 0.1481482 0.0683794 0.0000000), wk = 0.0024213 k( 224) = ( 0.1296296 0.0598319 -0.0000000), wk = 0.0024213 k( 225) = ( 0.1111111 0.0512845 -0.0000000), wk = 0.0024213 k( 226) = ( 0.0925926 0.0427371 -0.0000000), wk = 0.0024213 k( 227) = ( 0.0740741 0.0341897 0.0000000), wk = 0.0024213 k( 228) = ( 0.0555556 0.0256423 0.0000000), wk = 0.0024213 k( 229) = ( 0.0370370 0.0170948 0.0000000), wk = 0.0024213 k( 230) = ( 0.0185185 0.0085474 0.0000000), wk = 0.0024213 k( 231) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024213 k( 232) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024213 k( 233) = ( 0.0069077 -0.0149660 0.0128038), wk = 0.0024213 k( 234) = ( 0.0138155 -0.0299321 0.0256076), wk = 0.0024213 k( 235) = ( 0.0207232 -0.0448981 0.0384115), wk = 0.0024213 k( 236) = ( 0.0276309 -0.0598641 0.0512153), wk = 0.0024213 k( 237) = ( 0.0345387 -0.0748302 0.0640191), wk = 0.0024213 k( 238) = ( 0.0414464 -0.0897962 0.0768229), wk = 0.0024213 k( 239) = ( 0.0483541 -0.1047622 0.0896267), wk = 0.0024213 k( 240) = ( 0.0552619 -0.1197283 0.1024306), wk = 0.0024213 k( 241) = ( 0.0621696 -0.1346943 0.1152344), wk = 0.0024213 k( 242) = ( 0.0690773 -0.1496603 0.1280382), wk = 0.0024213 k( 243) = ( 0.0759851 -0.1646264 0.1408420), wk = 0.0024213 k( 244) = ( 0.0828928 -0.1795924 0.1536459), wk = 0.0024213 k( 245) = ( 0.0898005 -0.1945584 0.1664497), wk = 0.0024213 k( 246) = ( 0.0967083 -0.2095245 0.1792535), wk = 0.0024213 k( 247) = ( 0.1036160 -0.2244905 0.1920573), wk = 0.0024213 k( 248) = ( 0.1105237 -0.2394565 0.2048611), wk = 0.0024213 k( 249) = ( 0.1174315 -0.2544226 0.2176649), wk = 0.0024213 k( 250) = ( 0.1243392 -0.2693886 0.2304688), wk = 0.0024213 k( 251) = ( 0.1312469 -0.2843546 0.2432726), wk = 0.0024213 k( 252) = ( 0.1381547 -0.2993207 0.2560764), wk = 0.0024213 k( 253) = ( 0.1450624 -0.3142867 0.2688802), wk = 0.0024213 k( 254) = ( 0.1519701 -0.3292527 0.2816841), wk = 0.0024213 k( 255) = ( 0.1588779 -0.3442188 0.2944879), wk = 0.0024213 k( 256) = ( 0.1657856 -0.3591848 0.3072917), wk = 0.0024213 k( 257) = ( 0.1726933 -0.3741508 0.3200955), wk = 0.0024213 k( 258) = ( 0.1796011 -0.3891169 0.3328993), wk = 0.0024213 k( 259) = ( 0.1865088 -0.4040829 0.3457032), wk = 0.0024213 k( 260) = ( 0.1934165 -0.4190489 0.3585070), wk = 0.0024213 k( 261) = ( 0.2003243 -0.4340150 0.3713108), wk = 0.0024213 k( 262) = ( 0.2072320 -0.4489810 0.3841146), wk = 0.0024213 k( 263) = ( 0.2141397 -0.4639470 0.3969184), wk = 0.0024213 k( 264) = ( 0.2210475 -0.4789130 0.4097223), wk = 0.0024213 k( 265) = ( 0.2279552 -0.4938791 0.4225261), wk = 0.0024213 k( 266) = ( 0.2348629 -0.5088451 0.4353299), wk = 0.0024213 k( 267) = ( 0.2417707 -0.5238111 0.4481337), wk = 0.0024213 k( 268) = ( 0.2486784 -0.5387772 0.4609375), wk = 0.0024213 k( 269) = ( 0.2555861 -0.5537432 0.4737414), wk = 0.0024213 k( 270) = ( 0.2624939 -0.5687092 0.4865452), wk = 0.0024213 k( 271) = ( 0.2694016 -0.5836753 0.4993490), wk = 0.0024213 k( 272) = ( 0.2763093 -0.5986413 0.5121528), wk = 0.0024213 k( 273) = ( 0.2832171 -0.6136073 0.5249567), wk = 0.0024213 k( 274) = ( 0.2832171 -0.6136073 0.5249567), wk = 0.0024213 k( 275) = ( 0.2987015 -0.6002247 0.5205588), wk = 0.0024213 k( 276) = ( 0.3141860 -0.5868421 0.5161610), wk = 0.0024213 k( 277) = ( 0.3296705 -0.5734594 0.5117632), wk = 0.0024213 k( 278) = ( 0.3451550 -0.5600768 0.5073654), wk = 0.0024213 k( 279) = ( 0.3606395 -0.5466941 0.5029676), wk = 0.0024213 k( 280) = ( 0.3761240 -0.5333115 0.4985697), wk = 0.0024213 k( 281) = ( 0.3916085 -0.5199288 0.4941719), wk = 0.0024213 k( 282) = ( 0.4070930 -0.5065462 0.4897741), wk = 0.0024213 k( 283) = ( 0.4225775 -0.4931636 0.4853763), wk = 0.0024213 k( 284) = ( 0.4380620 -0.4797809 0.4809785), wk = 0.0024213 k( 285) = ( 0.4535465 -0.4663983 0.4765807), wk = 0.0024213 k( 286) = ( 0.4690310 -0.4530156 0.4721828), wk = 0.0024213 k( 287) = ( 0.4845155 -0.4396330 0.4677850), wk = 0.0024213 k( 288) = ( 0.5000000 -0.4262503 0.4633872), wk = 0.0024213 k( 289) = ( 0.5000000 -0.4262503 0.4633872), wk = 0.0024213 k( 290) = ( 0.4946809 -0.4147261 0.4797273), wk = 0.0024213 k( 291) = ( 0.4893617 -0.4032018 0.4960674), wk = 0.0024213 k( 292) = ( 0.4840426 -0.3916775 0.5124075), wk = 0.0024213 k( 293) = ( 0.4787234 -0.3801533 0.5287477), wk = 0.0024213 k( 294) = ( 0.4734043 -0.3686290 0.5450877), wk = 0.0024213 k( 295) = ( 0.4680851 -0.3571048 0.5614278), wk = 0.0024213 k( 296) = ( 0.4627660 -0.3455805 0.5777680), wk = 0.0024213 k( 297) = ( 0.4574468 -0.3340562 0.5941081), wk = 0.0024213 k( 298) = ( 0.4521277 -0.3225319 0.6104482), wk = 0.0024213 k( 299) = ( 0.4468085 -0.3110077 0.6267883), wk = 0.0024213 k( 300) = ( 0.4414894 -0.2994834 0.6431284), wk = 0.0024213 k( 301) = ( 0.4361702 -0.2879591 0.6594685), wk = 0.0024213 k( 302) = ( 0.4308511 -0.2764349 0.6758086), wk = 0.0024213 k( 303) = ( 0.4255319 -0.2649106 0.6921487), wk = 0.0024213 k( 304) = ( 0.4202128 -0.2533864 0.7084888), wk = 0.0024213 k( 305) = ( 0.4148936 -0.2418621 0.7248289), wk = 0.0024213 k( 306) = ( 0.4095745 -0.2303378 0.7411690), wk = 0.0024213 k( 307) = ( 0.4042553 -0.2188135 0.7575091), wk = 0.0024213 k( 308) = ( 0.3989362 -0.2072893 0.7738493), wk = 0.0024213 k( 309) = ( 0.3936170 -0.1957650 0.7901894), wk = 0.0024213 k( 310) = ( 0.3882979 -0.1842407 0.8065295), wk = 0.0024213 k( 311) = ( 0.3829787 -0.1727165 0.8228696), wk = 0.0024213 k( 312) = ( 0.3776596 -0.1611922 0.8392097), wk = 0.0024213 k( 313) = ( 0.3723404 -0.1496680 0.8555498), wk = 0.0024213 k( 314) = ( 0.3670213 -0.1381437 0.8718899), wk = 0.0024213 k( 315) = ( 0.3617021 -0.1266194 0.8882300), wk = 0.0024213 k( 316) = ( 0.3563830 -0.1150951 0.9045701), wk = 0.0024213 k( 317) = ( 0.3510638 -0.1035709 0.9209102), wk = 0.0024213 k( 318) = ( 0.3457447 -0.0920466 0.9372503), wk = 0.0024213 k( 319) = ( 0.3404255 -0.0805223 0.9535905), wk = 0.0024213 k( 320) = ( 0.3351064 -0.0689981 0.9699306), wk = 0.0024213 k( 321) = ( 0.3297872 -0.0574738 0.9862707), wk = 0.0024213 k( 322) = ( 0.3244681 -0.0459496 1.0026108), wk = 0.0024213 k( 323) = ( 0.3191489 -0.0344253 1.0189509), wk = 0.0024213 k( 324) = ( 0.3138298 -0.0229010 1.0352910), wk = 0.0024213 k( 325) = ( 0.3085106 -0.0113768 1.0516311), wk = 0.0024213 k( 326) = ( 0.3031915 0.0001475 1.0679712), wk = 0.0024213 k( 327) = ( 0.2978723 0.0116718 1.0843113), wk = 0.0024213 k( 328) = ( 0.2925532 0.0231961 1.1006514), wk = 0.0024213 k( 329) = ( 0.2872340 0.0347203 1.1169915), wk = 0.0024213 k( 330) = ( 0.2819149 0.0462446 1.1333316), wk = 0.0024213 k( 331) = ( 0.2765957 0.0577689 1.1496718), wk = 0.0024213 k( 332) = ( 0.2712766 0.0692931 1.1660118), wk = 0.0024213 k( 333) = ( 0.2659574 0.0808174 1.1823519), wk = 0.0024213 k( 334) = ( 0.2606383 0.0923416 1.1986921), wk = 0.0024213 k( 335) = ( 0.2553191 0.1038659 1.2150322), wk = 0.0024213 k( 336) = ( 0.2500000 0.1153902 1.2313723), wk = 0.0024213 k( 337) = ( 0.0532596 -0.1153902 1.2313723), wk = 0.0024213 k( 338) = ( 0.0586074 -0.1269766 1.2149440), wk = 0.0024213 k( 339) = ( 0.0639553 -0.1385631 1.1985158), wk = 0.0024213 k( 340) = ( 0.0693031 -0.1501495 1.1820875), wk = 0.0024213 k( 341) = ( 0.0746510 -0.1617360 1.1656592), wk = 0.0024213 k( 342) = ( 0.0799988 -0.1733224 1.1492309), wk = 0.0024213 k( 343) = ( 0.0853467 -0.1849089 1.1328027), wk = 0.0024213 k( 344) = ( 0.0906945 -0.1964953 1.1163744), wk = 0.0024213 k( 345) = ( 0.0960424 -0.2080817 1.0999461), wk = 0.0024213 k( 346) = ( 0.1013902 -0.2196682 1.0835179), wk = 0.0024213 k( 347) = ( 0.1067381 -0.2312546 1.0670896), wk = 0.0024213 k( 348) = ( 0.1120859 -0.2428411 1.0506613), wk = 0.0024213 k( 349) = ( 0.1174338 -0.2544275 1.0342330), wk = 0.0024213 k( 350) = ( 0.1227816 -0.2660140 1.0178047), wk = 0.0024213 k( 351) = ( 0.1281295 -0.2776004 1.0013765), wk = 0.0024213 k( 352) = ( 0.1334773 -0.2891869 0.9849482), wk = 0.0024213 k( 353) = ( 0.1388252 -0.3007733 0.9685200), wk = 0.0024213 k( 354) = ( 0.1441730 -0.3123598 0.9520917), wk = 0.0024213 k( 355) = ( 0.1495209 -0.3239462 0.9356634), wk = 0.0024213 k( 356) = ( 0.1548687 -0.3355327 0.9192351), wk = 0.0024213 k( 357) = ( 0.1602165 -0.3471191 0.9028069), wk = 0.0024213 k( 358) = ( 0.1655644 -0.3587055 0.8863786), wk = 0.0024213 k( 359) = ( 0.1709122 -0.3702920 0.8699503), wk = 0.0024213 k( 360) = ( 0.1762601 -0.3818784 0.8535221), wk = 0.0024213 k( 361) = ( 0.1816079 -0.3934649 0.8370938), wk = 0.0024213 k( 362) = ( 0.1869558 -0.4050513 0.8206655), wk = 0.0024213 k( 363) = ( 0.1923036 -0.4166378 0.8042373), wk = 0.0024213 k( 364) = ( 0.1976515 -0.4282242 0.7878090), wk = 0.0024213 k( 365) = ( 0.2029993 -0.4398107 0.7713807), wk = 0.0024213 k( 366) = ( 0.2083472 -0.4513971 0.7549524), wk = 0.0024213 k( 367) = ( 0.2136950 -0.4629836 0.7385242), wk = 0.0024213 k( 368) = ( 0.2190429 -0.4745700 0.7220959), wk = 0.0024213 k( 369) = ( 0.2243907 -0.4861564 0.7056676), wk = 0.0024213 k( 370) = ( 0.2297386 -0.4977429 0.6892394), wk = 0.0024213 k( 371) = ( 0.2350864 -0.5093293 0.6728111), wk = 0.0024213 k( 372) = ( 0.2404343 -0.5209158 0.6563828), wk = 0.0024213 k( 373) = ( 0.2457821 -0.5325022 0.6399545), wk = 0.0024213 k( 374) = ( 0.2511300 -0.5440887 0.6235263), wk = 0.0024213 k( 375) = ( 0.2564778 -0.5556751 0.6070980), wk = 0.0024213 k( 376) = ( 0.2618257 -0.5672616 0.5906697), wk = 0.0024213 k( 377) = ( 0.2671735 -0.5788480 0.5742415), wk = 0.0024213 k( 378) = ( 0.2725214 -0.5904345 0.5578132), wk = 0.0024213 k( 379) = ( 0.2778692 -0.6020209 0.5413849), wk = 0.0024213 k( 380) = ( 0.2832171 -0.6136073 0.5249567), wk = 0.0024213 k( 381) = ( 0.7167829 -0.2388933 0.4018178), wk = 0.0024213 k( 382) = ( 0.7100085 -0.2242160 0.3892610), wk = 0.0024213 k( 383) = ( 0.7032340 -0.2095387 0.3767042), wk = 0.0024213 k( 384) = ( 0.6964595 -0.1948614 0.3641474), wk = 0.0024213 k( 385) = ( 0.6896851 -0.1801841 0.3515906), wk = 0.0024213 k( 386) = ( 0.6829106 -0.1655068 0.3390337), wk = 0.0024213 k( 387) = ( 0.6761361 -0.1508295 0.3264769), wk = 0.0024213 k( 388) = ( 0.6693617 -0.1361522 0.3139201), wk = 0.0024213 k( 389) = ( 0.6625872 -0.1214749 0.3013633), wk = 0.0024213 k( 390) = ( 0.6558127 -0.1067976 0.2888065), wk = 0.0024213 k( 391) = ( 0.6490383 -0.0921203 0.2762497), wk = 0.0024213 k( 392) = ( 0.6422638 -0.0774430 0.2636929), wk = 0.0024213 k( 393) = ( 0.6354893 -0.0627657 0.2511361), wk = 0.0024213 k( 394) = ( 0.6287149 -0.0480884 0.2385793), wk = 0.0024213 k( 395) = ( 0.6219404 -0.0334111 0.2260225), wk = 0.0024213 k( 396) = ( 0.6151659 -0.0187338 0.2134657), wk = 0.0024213 k( 397) = ( 0.6083915 -0.0040565 0.2009089), wk = 0.0024213 k( 398) = ( 0.6016170 0.0106208 0.1883521), wk = 0.0024213 k( 399) = ( 0.5948425 0.0252981 0.1757953), wk = 0.0024213 k( 400) = ( 0.5880681 0.0399754 0.1632385), wk = 0.0024213 k( 401) = ( 0.5812936 0.0546527 0.1506817), wk = 0.0024213 k( 402) = ( 0.5745191 0.0693300 0.1381249), wk = 0.0024213 k( 403) = ( 0.5677447 0.0840073 0.1255681), wk = 0.0024213 k( 404) = ( 0.5609702 0.0986846 0.1130112), wk = 0.0024213 k( 405) = ( 0.5541957 0.1133619 0.1004545), wk = 0.0024213 k( 406) = ( 0.5474213 0.1280392 0.0878976), wk = 0.0024213 k( 407) = ( 0.5406468 0.1427166 0.0753408), wk = 0.0024213 k( 408) = ( 0.5338723 0.1573938 0.0627840), wk = 0.0024213 k( 409) = ( 0.5270979 0.1720712 0.0502272), wk = 0.0024213 k( 410) = ( 0.5203234 0.1867485 0.0376704), wk = 0.0024213 k( 411) = ( 0.5135489 0.2014258 0.0251136), wk = 0.0024213 k( 412) = ( 0.5067745 0.2161031 0.0125568), wk = 0.0024213 k( 413) = ( 0.5000000 0.2307804 0.0000000), wk = 0.0024213 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024213 k( 2) = ( -0.0054008 0.0054008 0.0054009), wk = 0.0024213 k( 3) = ( -0.0108017 0.0108017 0.0108017), wk = 0.0024213 k( 4) = ( -0.0162025 0.0162025 0.0162025), wk = 0.0024213 k( 5) = ( -0.0216034 0.0216034 0.0216034), wk = 0.0024213 k( 6) = ( -0.0270043 0.0270043 0.0270043), wk = 0.0024213 k( 7) = ( -0.0324051 0.0324051 0.0324051), wk = 0.0024213 k( 8) = ( -0.0378059 0.0378059 0.0378060), wk = 0.0024213 k( 9) = ( -0.0432068 0.0432068 0.0432068), wk = 0.0024213 k( 10) = ( -0.0486077 0.0486076 0.0486077), wk = 0.0024213 k( 11) = ( -0.0540085 0.0540085 0.0540085), wk = 0.0024213 k( 12) = ( -0.0594094 0.0594094 0.0594094), wk = 0.0024213 k( 13) = ( -0.0648102 0.0648102 0.0648102), wk = 0.0024213 k( 14) = ( -0.0702111 0.0702111 0.0702111), wk = 0.0024213 k( 15) = ( -0.0756119 0.0756119 0.0756119), wk = 0.0024213 k( 16) = ( -0.0810128 0.0810128 0.0810128), wk = 0.0024213 k( 17) = ( -0.0864136 0.0864136 0.0864136), wk = 0.0024213 k( 18) = ( -0.0918145 0.0918145 0.0918145), wk = 0.0024213 k( 19) = ( -0.0972153 0.0972153 0.0972153), wk = 0.0024213 k( 20) = ( -0.1026162 0.1026162 0.1026162), wk = 0.0024213 k( 21) = ( -0.1080170 0.1080170 0.1080170), wk = 0.0024213 k( 22) = ( -0.1134179 0.1134179 0.1134179), wk = 0.0024213 k( 23) = ( -0.1188187 0.1188187 0.1188187), wk = 0.0024213 k( 24) = ( -0.1242196 0.1242196 0.1242196), wk = 0.0024213 k( 25) = ( -0.1296204 0.1296204 0.1296204), wk = 0.0024213 k( 26) = ( -0.1350213 0.1350213 0.1350213), wk = 0.0024213 k( 27) = ( -0.1404221 0.1404221 0.1404221), wk = 0.0024213 k( 28) = ( -0.1458230 0.1458230 0.1458230), wk = 0.0024213 k( 29) = ( -0.1512238 0.1512238 0.1512238), wk = 0.0024213 k( 30) = ( -0.1566247 0.1566247 0.1566247), wk = 0.0024213 k( 31) = ( -0.1620255 0.1620255 0.1620255), wk = 0.0024213 k( 32) = ( -0.1674264 0.1674264 0.1674264), wk = 0.0024213 k( 33) = ( -0.1728272 0.1728272 0.1728272), wk = 0.0024213 k( 34) = ( -0.1782281 0.1782281 0.1782281), wk = 0.0024213 k( 35) = ( -0.1836289 0.1836289 0.1836289), wk = 0.0024213 k( 36) = ( -0.1890298 0.1890298 0.1890298), wk = 0.0024213 k( 37) = ( -0.1944306 0.1944306 0.1944306), wk = 0.0024213 k( 38) = ( -0.1998315 0.1998315 0.1998315), wk = 0.0024213 k( 39) = ( -0.2052323 0.2052323 0.2052323), wk = 0.0024213 k( 40) = ( -0.2106332 0.2106332 0.2106332), wk = 0.0024213 k( 41) = ( -0.2160340 0.2160340 0.2160340), wk = 0.0024213 k( 42) = ( -0.2214349 0.2214349 0.2214349), wk = 0.0024213 k( 43) = ( -0.2268357 0.2268357 0.2268357), wk = 0.0024213 k( 44) = ( -0.2322366 0.2322366 0.2322366), wk = 0.0024213 k( 45) = ( -0.2376374 0.2376374 0.2376374), wk = 0.0024213 k( 46) = ( -0.2430383 0.2430383 0.2430383), wk = 0.0024213 k( 47) = ( -0.2484391 0.2484391 0.2484391), wk = 0.0024213 k( 48) = ( -0.2538400 0.2538400 0.2538400), wk = 0.0024213 k( 49) = ( -0.2592408 0.2592408 0.2592408), wk = 0.0024213 k( 50) = ( -0.2646417 0.2646417 0.2646417), wk = 0.0024213 k( 51) = ( -0.2700425 0.2700425 0.2700425), wk = 0.0024213 k( 52) = ( -0.2700425 0.2700425 0.2700425), wk = 0.0024213 k( 53) = ( -0.2632681 0.2632681 0.2768170), wk = 0.0024213 k( 54) = ( -0.2564936 0.2564936 0.2835915), wk = 0.0024213 k( 55) = ( -0.2497191 0.2497191 0.2903659), wk = 0.0024213 k( 56) = ( -0.2429447 0.2429446 0.2971404), wk = 0.0024213 k( 57) = ( -0.2361702 0.2361702 0.3039149), wk = 0.0024213 k( 58) = ( -0.2293957 0.2293957 0.3106893), wk = 0.0024213 k( 59) = ( -0.2226212 0.2226212 0.3174638), wk = 0.0024213 k( 60) = ( -0.2158468 0.2158468 0.3242383), wk = 0.0024213 k( 61) = ( -0.2090723 0.2090723 0.3310127), wk = 0.0024213 k( 62) = ( -0.2022979 0.2022978 0.3377872), wk = 0.0024213 k( 63) = ( -0.1955234 0.1955234 0.3445617), wk = 0.0024213 k( 64) = ( -0.1887489 0.1887489 0.3513361), wk = 0.0024213 k( 65) = ( -0.1819745 0.1819744 0.3581106), wk = 0.0024213 k( 66) = ( -0.1752000 0.1752000 0.3648851), wk = 0.0024213 k( 67) = ( -0.1684255 0.1684255 0.3716595), wk = 0.0024213 k( 68) = ( -0.1616510 0.1616510 0.3784340), wk = 0.0024213 k( 69) = ( -0.1548766 0.1548766 0.3852085), wk = 0.0024213 k( 70) = ( -0.1481021 0.1481021 0.3919829), wk = 0.0024213 k( 71) = ( -0.1413276 0.1413276 0.3987574), wk = 0.0024213 k( 72) = ( -0.1345532 0.1345532 0.4055319), wk = 0.0024213 k( 73) = ( -0.1277787 0.1277787 0.4123063), wk = 0.0024213 k( 74) = ( -0.1210042 0.1210042 0.4190808), wk = 0.0024213 k( 75) = ( -0.1142298 0.1142298 0.4258553), wk = 0.0024213 k( 76) = ( -0.1074553 0.1074553 0.4326297), wk = 0.0024213 k( 77) = ( -0.1006809 0.1006808 0.4394042), wk = 0.0024213 k( 78) = ( -0.0939064 0.0939064 0.4461787), wk = 0.0024213 k( 79) = ( -0.0871319 0.0871319 0.4529531), wk = 0.0024213 k( 80) = ( -0.0803574 0.0803574 0.4597276), wk = 0.0024213 k( 81) = ( -0.0735830 0.0735830 0.4665021), wk = 0.0024213 k( 82) = ( -0.0668085 0.0668085 0.4732765), wk = 0.0024213 k( 83) = ( -0.0600340 0.0600340 0.4800510), wk = 0.0024213 k( 84) = ( -0.0532596 0.0532596 0.4868255), wk = 0.0024213 k( 85) = ( -0.0532596 0.0532596 0.4868255), wk = 0.0024213 k( 86) = ( -0.0456511 0.0456511 0.4887075), wk = 0.0024213 k( 87) = ( -0.0380426 0.0380426 0.4905896), wk = 0.0024213 k( 88) = ( -0.0304340 0.0304340 0.4924717), wk = 0.0024213 k( 89) = ( -0.0228255 0.0228255 0.4943538), wk = 0.0024213 k( 90) = ( -0.0152170 0.0152170 0.4962359), wk = 0.0024213 k( 91) = ( -0.0076085 0.0076085 0.4981179), wk = 0.0024213 k( 92) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024213 k( 93) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024213 k( 94) = ( 0.0178571 0.0178571 0.4821429), wk = 0.0024213 k( 95) = ( 0.0357143 0.0357143 0.4642857), wk = 0.0024213 k( 96) = ( 0.0535714 0.0535714 0.4464286), wk = 0.0024213 k( 97) = ( 0.0714286 0.0714286 0.4285714), wk = 0.0024213 k( 98) = ( 0.0892857 0.0892857 0.4107143), wk = 0.0024213 k( 99) = ( 0.1071429 0.1071429 0.3928571), wk = 0.0024213 k( 100) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0024213 k( 101) = ( 0.1428571 0.1428571 0.3571429), wk = 0.0024213 k( 102) = ( 0.1607143 0.1607143 0.3392857), wk = 0.0024213 k( 103) = ( 0.1785714 0.1785714 0.3214286), wk = 0.0024213 k( 104) = ( 0.1964286 0.1964286 0.3035714), wk = 0.0024213 k( 105) = ( 0.2142857 0.2142857 0.2857143), wk = 0.0024213 k( 106) = ( 0.2321429 0.2321429 0.2678571), wk = 0.0024213 k( 107) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0024213 k( 108) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0024213 k( 109) = ( 0.2430556 0.2569444 0.2430556), wk = 0.0024213 k( 110) = ( 0.2361111 0.2638889 0.2361111), wk = 0.0024213 k( 111) = ( 0.2291667 0.2708333 0.2291667), wk = 0.0024213 k( 112) = ( 0.2222222 0.2777778 0.2222222), wk = 0.0024213 k( 113) = ( 0.2152778 0.2847222 0.2152778), wk = 0.0024213 k( 114) = ( 0.2083333 0.2916667 0.2083333), wk = 0.0024213 k( 115) = ( 0.2013889 0.2986111 0.2013889), wk = 0.0024213 k( 116) = ( 0.1944444 0.3055556 0.1944444), wk = 0.0024213 k( 117) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0024213 k( 118) = ( 0.1805556 0.3194444 0.1805556), wk = 0.0024213 k( 119) = ( 0.1736111 0.3263889 0.1736111), wk = 0.0024213 k( 120) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0024213 k( 121) = ( 0.1597222 0.3402778 0.1597222), wk = 0.0024213 k( 122) = ( 0.1527778 0.3472222 0.1527778), wk = 0.0024213 k( 123) = ( 0.1458333 0.3541667 0.1458333), wk = 0.0024213 k( 124) = ( 0.1388889 0.3611111 0.1388889), wk = 0.0024213 k( 125) = ( 0.1319444 0.3680556 0.1319444), wk = 0.0024213 k( 126) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0024213 k( 127) = ( 0.1180556 0.3819444 0.1180556), wk = 0.0024213 k( 128) = ( 0.1111111 0.3888889 0.1111111), wk = 0.0024213 k( 129) = ( 0.1041667 0.3958333 0.1041667), wk = 0.0024213 k( 130) = ( 0.0972222 0.4027778 0.0972222), wk = 0.0024213 k( 131) = ( 0.0902778 0.4097222 0.0902778), wk = 0.0024213 k( 132) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0024213 k( 133) = ( 0.0763889 0.4236111 0.0763889), wk = 0.0024213 k( 134) = ( 0.0694444 0.4305556 0.0694444), wk = 0.0024213 k( 135) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0024213 k( 136) = ( 0.0555556 0.4444444 0.0555556), wk = 0.0024213 k( 137) = ( 0.0486111 0.4513889 0.0486111), wk = 0.0024213 k( 138) = ( 0.0416667 0.4583333 0.0416667), wk = 0.0024213 k( 139) = ( 0.0347222 0.4652778 0.0347222), wk = 0.0024213 k( 140) = ( 0.0277778 0.4722222 0.0277778), wk = 0.0024213 k( 141) = ( 0.0208333 0.4791667 0.0208333), wk = 0.0024213 k( 142) = ( 0.0138889 0.4861111 0.0138889), wk = 0.0024213 k( 143) = ( 0.0069444 0.4930556 0.0069444), wk = 0.0024213 k( 144) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024213 k( 145) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024213 k( 146) = ( 0.0192888 0.5164255 -0.0192888), wk = 0.0024213 k( 147) = ( 0.0385775 0.5328511 -0.0385775), wk = 0.0024213 k( 148) = ( 0.0578663 0.5492766 -0.0578662), wk = 0.0024213 k( 149) = ( 0.0771550 0.5657021 -0.0771550), wk = 0.0024213 k( 150) = ( 0.0964438 0.5821277 -0.0964438), wk = 0.0024213 k( 151) = ( 0.1157325 0.5985532 -0.1157325), wk = 0.0024213 k( 152) = ( 0.1350213 0.6149787 -0.1350213), wk = 0.0024213 k( 153) = ( 0.1543100 0.6314043 -0.1543100), wk = 0.0024213 k( 154) = ( 0.1735988 0.6478298 -0.1735988), wk = 0.0024213 k( 155) = ( 0.1928875 0.6642553 -0.1928875), wk = 0.0024213 k( 156) = ( 0.2121763 0.6806809 -0.2121763), wk = 0.0024213 k( 157) = ( 0.2314650 0.6971064 -0.2314650), wk = 0.0024213 k( 158) = ( 0.2507538 0.7135319 -0.2507538), wk = 0.0024213 k( 159) = ( 0.2700425 0.7299575 -0.2700425), wk = 0.0024213 k( 160) = ( 0.2700425 0.7299575 -0.2700425), wk = 0.0024213 k( 161) = ( 0.2753904 0.7246096 -0.2753904), wk = 0.0024213 k( 162) = ( 0.2807382 0.7192618 -0.2807382), wk = 0.0024213 k( 163) = ( 0.2860861 0.7139139 -0.2860861), wk = 0.0024213 k( 164) = ( 0.2914339 0.7085661 -0.2914339), wk = 0.0024213 k( 165) = ( 0.2967818 0.7032182 -0.2967818), wk = 0.0024213 k( 166) = ( 0.3021296 0.6978704 -0.3021296), wk = 0.0024213 k( 167) = ( 0.3074775 0.6925225 -0.3074775), wk = 0.0024213 k( 168) = ( 0.3128253 0.6871747 -0.3128253), wk = 0.0024213 k( 169) = ( 0.3181732 0.6818268 -0.3181732), wk = 0.0024213 k( 170) = ( 0.3235210 0.6764790 -0.3235210), wk = 0.0024213 k( 171) = ( 0.3288688 0.6711312 -0.3288688), wk = 0.0024213 k( 172) = ( 0.3342167 0.6657833 -0.3342167), wk = 0.0024213 k( 173) = ( 0.3395646 0.6604355 -0.3395646), wk = 0.0024213 k( 174) = ( 0.3449124 0.6550876 -0.3449124), wk = 0.0024213 k( 175) = ( 0.3502602 0.6497397 -0.3502603), wk = 0.0024213 k( 176) = ( 0.3556081 0.6443919 -0.3556081), wk = 0.0024213 k( 177) = ( 0.3609559 0.6390441 -0.3609559), wk = 0.0024213 k( 178) = ( 0.3663038 0.6336962 -0.3663038), wk = 0.0024213 k( 179) = ( 0.3716516 0.6283484 -0.3716516), wk = 0.0024213 k( 180) = ( 0.3769995 0.6230005 -0.3769995), wk = 0.0024213 k( 181) = ( 0.3823473 0.6176527 -0.3823473), wk = 0.0024213 k( 182) = ( 0.3876952 0.6123048 -0.3876952), wk = 0.0024213 k( 183) = ( 0.3930430 0.6069570 -0.3930430), wk = 0.0024213 k( 184) = ( 0.3983909 0.6016091 -0.3983909), wk = 0.0024213 k( 185) = ( 0.4037387 0.5962613 -0.4037387), wk = 0.0024213 k( 186) = ( 0.4090866 0.5909134 -0.4090866), wk = 0.0024213 k( 187) = ( 0.4144344 0.5855656 -0.4144344), wk = 0.0024213 k( 188) = ( 0.4197823 0.5802177 -0.4197823), wk = 0.0024213 k( 189) = ( 0.4251301 0.5748699 -0.4251301), wk = 0.0024213 k( 190) = ( 0.4304780 0.5695220 -0.4304780), wk = 0.0024213 k( 191) = ( 0.4358258 0.5641742 -0.4358258), wk = 0.0024213 k( 192) = ( 0.4411737 0.5588263 -0.4411737), wk = 0.0024213 k( 193) = ( 0.4465215 0.5534785 -0.4465215), wk = 0.0024213 k( 194) = ( 0.4518694 0.5481306 -0.4518694), wk = 0.0024213 k( 195) = ( 0.4572172 0.5427828 -0.4572172), wk = 0.0024213 k( 196) = ( 0.4625651 0.5374349 -0.4625651), wk = 0.0024213 k( 197) = ( 0.4679129 0.5320871 -0.4679129), wk = 0.0024213 k( 198) = ( 0.4732608 0.5267392 -0.4732608), wk = 0.0024213 k( 199) = ( 0.4786086 0.5213914 -0.4786086), wk = 0.0024213 k( 200) = ( 0.4839565 0.5160435 -0.4839565), wk = 0.0024213 k( 201) = ( 0.4893043 0.5106957 -0.4893043), wk = 0.0024213 k( 202) = ( 0.4946522 0.5053479 -0.4946522), wk = 0.0024213 k( 203) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0024213 k( 204) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0024213 k( 205) = ( 0.4814815 0.4814815 -0.4814815), wk = 0.0024213 k( 206) = ( 0.4629630 0.4629630 -0.4629630), wk = 0.0024213 k( 207) = ( 0.4444444 0.4444444 -0.4444444), wk = 0.0024213 k( 208) = ( 0.4259259 0.4259259 -0.4259259), wk = 0.0024213 k( 209) = ( 0.4074074 0.4074074 -0.4074074), wk = 0.0024213 k( 210) = ( 0.3888889 0.3888889 -0.3888889), wk = 0.0024213 k( 211) = ( 0.3703704 0.3703704 -0.3703704), wk = 0.0024213 k( 212) = ( 0.3518519 0.3518519 -0.3518519), wk = 0.0024213 k( 213) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0024213 k( 214) = ( 0.3148148 0.3148148 -0.3148148), wk = 0.0024213 k( 215) = ( 0.2962963 0.2962963 -0.2962963), wk = 0.0024213 k( 216) = ( 0.2777778 0.2777778 -0.2777778), wk = 0.0024213 k( 217) = ( 0.2592593 0.2592593 -0.2592593), wk = 0.0024213 k( 218) = ( 0.2407407 0.2407407 -0.2407407), wk = 0.0024213 k( 219) = ( 0.2222222 0.2222222 -0.2222222), wk = 0.0024213 k( 220) = ( 0.2037037 0.2037037 -0.2037037), wk = 0.0024213 k( 221) = ( 0.1851852 0.1851852 -0.1851852), wk = 0.0024213 k( 222) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0024213 k( 223) = ( 0.1481482 0.1481482 -0.1481482), wk = 0.0024213 k( 224) = ( 0.1296296 0.1296296 -0.1296296), wk = 0.0024213 k( 225) = ( 0.1111111 0.1111111 -0.1111111), wk = 0.0024213 k( 226) = ( 0.0925926 0.0925926 -0.0925926), wk = 0.0024213 k( 227) = ( 0.0740741 0.0740741 -0.0740741), wk = 0.0024213 k( 228) = ( 0.0555556 0.0555556 -0.0555556), wk = 0.0024213 k( 229) = ( 0.0370370 0.0370370 -0.0370370), wk = 0.0024213 k( 230) = ( 0.0185185 0.0185185 -0.0185185), wk = 0.0024213 k( 231) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024213 k( 232) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024213 k( 233) = ( 0.0069077 -0.0069077 0.0069077), wk = 0.0024213 k( 234) = ( 0.0138155 -0.0138155 0.0138155), wk = 0.0024213 k( 235) = ( 0.0207232 -0.0207232 0.0207232), wk = 0.0024213 k( 236) = ( 0.0276309 -0.0276309 0.0276309), wk = 0.0024213 k( 237) = ( 0.0345387 -0.0345387 0.0345387), wk = 0.0024213 k( 238) = ( 0.0414464 -0.0414464 0.0414464), wk = 0.0024213 k( 239) = ( 0.0483541 -0.0483541 0.0483541), wk = 0.0024213 k( 240) = ( 0.0552619 -0.0552619 0.0552619), wk = 0.0024213 k( 241) = ( 0.0621696 -0.0621696 0.0621696), wk = 0.0024213 k( 242) = ( 0.0690773 -0.0690773 0.0690773), wk = 0.0024213 k( 243) = ( 0.0759851 -0.0759851 0.0759851), wk = 0.0024213 k( 244) = ( 0.0828928 -0.0828928 0.0828928), wk = 0.0024213 k( 245) = ( 0.0898005 -0.0898005 0.0898005), wk = 0.0024213 k( 246) = ( 0.0967083 -0.0967083 0.0967083), wk = 0.0024213 k( 247) = ( 0.1036160 -0.1036160 0.1036160), wk = 0.0024213 k( 248) = ( 0.1105237 -0.1105237 0.1105237), wk = 0.0024213 k( 249) = ( 0.1174315 -0.1174315 0.1174315), wk = 0.0024213 k( 250) = ( 0.1243392 -0.1243392 0.1243392), wk = 0.0024213 k( 251) = ( 0.1312469 -0.1312469 0.1312469), wk = 0.0024213 k( 252) = ( 0.1381547 -0.1381547 0.1381547), wk = 0.0024213 k( 253) = ( 0.1450624 -0.1450624 0.1450624), wk = 0.0024213 k( 254) = ( 0.1519701 -0.1519701 0.1519701), wk = 0.0024213 k( 255) = ( 0.1588779 -0.1588779 0.1588779), wk = 0.0024213 k( 256) = ( 0.1657856 -0.1657856 0.1657856), wk = 0.0024213 k( 257) = ( 0.1726933 -0.1726933 0.1726933), wk = 0.0024213 k( 258) = ( 0.1796011 -0.1796011 0.1796011), wk = 0.0024213 k( 259) = ( 0.1865088 -0.1865088 0.1865088), wk = 0.0024213 k( 260) = ( 0.1934165 -0.1934165 0.1934165), wk = 0.0024213 k( 261) = ( 0.2003243 -0.2003243 0.2003243), wk = 0.0024213 k( 262) = ( 0.2072320 -0.2072320 0.2072320), wk = 0.0024213 k( 263) = ( 0.2141397 -0.2141397 0.2141397), wk = 0.0024213 k( 264) = ( 0.2210475 -0.2210475 0.2210475), wk = 0.0024213 k( 265) = ( 0.2279552 -0.2279552 0.2279552), wk = 0.0024213 k( 266) = ( 0.2348629 -0.2348629 0.2348629), wk = 0.0024213 k( 267) = ( 0.2417707 -0.2417707 0.2417707), wk = 0.0024213 k( 268) = ( 0.2486784 -0.2486784 0.2486784), wk = 0.0024213 k( 269) = ( 0.2555861 -0.2555861 0.2555861), wk = 0.0024213 k( 270) = ( 0.2624939 -0.2624939 0.2624939), wk = 0.0024213 k( 271) = ( 0.2694016 -0.2694016 0.2694016), wk = 0.0024213 k( 272) = ( 0.2763093 -0.2763093 0.2763093), wk = 0.0024213 k( 273) = ( 0.2832171 -0.2832171 0.2832171), wk = 0.0024213 k( 274) = ( 0.2832171 -0.2832171 0.2832171), wk = 0.0024213 k( 275) = ( 0.2987015 -0.2629873 0.2629873), wk = 0.0024213 k( 276) = ( 0.3141860 -0.2427575 0.2427575), wk = 0.0024213 k( 277) = ( 0.3296705 -0.2225277 0.2225277), wk = 0.0024213 k( 278) = ( 0.3451550 -0.2022979 0.2022979), wk = 0.0024213 k( 279) = ( 0.3606395 -0.1820681 0.1820681), wk = 0.0024213 k( 280) = ( 0.3761240 -0.1618383 0.1618383), wk = 0.0024213 k( 281) = ( 0.3916085 -0.1416085 0.1416085), wk = 0.0024213 k( 282) = ( 0.4070930 -0.1213787 0.1213787), wk = 0.0024213 k( 283) = ( 0.4225775 -0.1011489 0.1011490), wk = 0.0024213 k( 284) = ( 0.4380620 -0.0809192 0.0809192), wk = 0.0024213 k( 285) = ( 0.4535465 -0.0606894 0.0606894), wk = 0.0024213 k( 286) = ( 0.4690310 -0.0404596 0.0404596), wk = 0.0024213 k( 287) = ( 0.4845155 -0.0202298 0.0202298), wk = 0.0024213 k( 288) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0024213 k( 289) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0024213 k( 290) = ( 0.4946809 0.0053192 0.0053192), wk = 0.0024213 k( 291) = ( 0.4893617 0.0106383 0.0106383), wk = 0.0024213 k( 292) = ( 0.4840426 0.0159575 0.0159575), wk = 0.0024213 k( 293) = ( 0.4787234 0.0212766 0.0212766), wk = 0.0024213 k( 294) = ( 0.4734043 0.0265957 0.0265957), wk = 0.0024213 k( 295) = ( 0.4680851 0.0319149 0.0319149), wk = 0.0024213 k( 296) = ( 0.4627660 0.0372340 0.0372340), wk = 0.0024213 k( 297) = ( 0.4574468 0.0425532 0.0425532), wk = 0.0024213 k( 298) = ( 0.4521277 0.0478723 0.0478723), wk = 0.0024213 k( 299) = ( 0.4468085 0.0531915 0.0531915), wk = 0.0024213 k( 300) = ( 0.4414894 0.0585106 0.0585106), wk = 0.0024213 k( 301) = ( 0.4361702 0.0638298 0.0638298), wk = 0.0024213 k( 302) = ( 0.4308511 0.0691489 0.0691489), wk = 0.0024213 k( 303) = ( 0.4255319 0.0744681 0.0744681), wk = 0.0024213 k( 304) = ( 0.4202128 0.0797872 0.0797872), wk = 0.0024213 k( 305) = ( 0.4148936 0.0851064 0.0851064), wk = 0.0024213 k( 306) = ( 0.4095745 0.0904255 0.0904255), wk = 0.0024213 k( 307) = ( 0.4042553 0.0957447 0.0957447), wk = 0.0024213 k( 308) = ( 0.3989362 0.1010638 0.1010638), wk = 0.0024213 k( 309) = ( 0.3936170 0.1063830 0.1063830), wk = 0.0024213 k( 310) = ( 0.3882979 0.1117021 0.1117021), wk = 0.0024213 k( 311) = ( 0.3829787 0.1170213 0.1170213), wk = 0.0024213 k( 312) = ( 0.3776596 0.1223404 0.1223404), wk = 0.0024213 k( 313) = ( 0.3723404 0.1276596 0.1276596), wk = 0.0024213 k( 314) = ( 0.3670213 0.1329787 0.1329787), wk = 0.0024213 k( 315) = ( 0.3617021 0.1382979 0.1382979), wk = 0.0024213 k( 316) = ( 0.3563830 0.1436170 0.1436170), wk = 0.0024213 k( 317) = ( 0.3510638 0.1489362 0.1489362), wk = 0.0024213 k( 318) = ( 0.3457447 0.1542553 0.1542553), wk = 0.0024213 k( 319) = ( 0.3404255 0.1595745 0.1595745), wk = 0.0024213 k( 320) = ( 0.3351064 0.1648936 0.1648936), wk = 0.0024213 k( 321) = ( 0.3297872 0.1702128 0.1702128), wk = 0.0024213 k( 322) = ( 0.3244681 0.1755319 0.1755319), wk = 0.0024213 k( 323) = ( 0.3191489 0.1808511 0.1808511), wk = 0.0024213 k( 324) = ( 0.3138298 0.1861702 0.1861702), wk = 0.0024213 k( 325) = ( 0.3085106 0.1914894 0.1914894), wk = 0.0024213 k( 326) = ( 0.3031915 0.1968085 0.1968085), wk = 0.0024213 k( 327) = ( 0.2978723 0.2021277 0.2021277), wk = 0.0024213 k( 328) = ( 0.2925532 0.2074468 0.2074468), wk = 0.0024213 k( 329) = ( 0.2872340 0.2127660 0.2127660), wk = 0.0024213 k( 330) = ( 0.2819149 0.2180851 0.2180851), wk = 0.0024213 k( 331) = ( 0.2765957 0.2234043 0.2234043), wk = 0.0024213 k( 332) = ( 0.2712766 0.2287234 0.2287234), wk = 0.0024213 k( 333) = ( 0.2659574 0.2340425 0.2340426), wk = 0.0024213 k( 334) = ( 0.2606383 0.2393617 0.2393617), wk = 0.0024213 k( 335) = ( 0.2553191 0.2446809 0.2446809), wk = 0.0024213 k( 336) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0024213 k( 337) = ( 0.0532596 -0.0532596 0.5131745), wk = 0.0024213 k( 338) = ( 0.0586074 -0.0586074 0.5078267), wk = 0.0024213 k( 339) = ( 0.0639553 -0.0639553 0.5024788), wk = 0.0024213 k( 340) = ( 0.0693031 -0.0693031 0.4971310), wk = 0.0024213 k( 341) = ( 0.0746510 -0.0746510 0.4917831), wk = 0.0024213 k( 342) = ( 0.0799988 -0.0799988 0.4864353), wk = 0.0024213 k( 343) = ( 0.0853467 -0.0853467 0.4810874), wk = 0.0024213 k( 344) = ( 0.0906945 -0.0906945 0.4757396), wk = 0.0024213 k( 345) = ( 0.0960424 -0.0960424 0.4703918), wk = 0.0024213 k( 346) = ( 0.1013902 -0.1013902 0.4650439), wk = 0.0024213 k( 347) = ( 0.1067381 -0.1067381 0.4596961), wk = 0.0024213 k( 348) = ( 0.1120859 -0.1120859 0.4543482), wk = 0.0024213 k( 349) = ( 0.1174338 -0.1174338 0.4490004), wk = 0.0024213 k( 350) = ( 0.1227816 -0.1227816 0.4436525), wk = 0.0024213 k( 351) = ( 0.1281295 -0.1281294 0.4383047), wk = 0.0024213 k( 352) = ( 0.1334773 -0.1334773 0.4329568), wk = 0.0024213 k( 353) = ( 0.1388252 -0.1388251 0.4276090), wk = 0.0024213 k( 354) = ( 0.1441730 -0.1441730 0.4222611), wk = 0.0024213 k( 355) = ( 0.1495209 -0.1495209 0.4169133), wk = 0.0024213 k( 356) = ( 0.1548687 -0.1548687 0.4115654), wk = 0.0024213 k( 357) = ( 0.1602165 -0.1602165 0.4062176), wk = 0.0024213 k( 358) = ( 0.1655644 -0.1655644 0.4008697), wk = 0.0024213 k( 359) = ( 0.1709122 -0.1709122 0.3955219), wk = 0.0024213 k( 360) = ( 0.1762601 -0.1762601 0.3901740), wk = 0.0024213 k( 361) = ( 0.1816079 -0.1816079 0.3848262), wk = 0.0024213 k( 362) = ( 0.1869558 -0.1869558 0.3794783), wk = 0.0024213 k( 363) = ( 0.1923036 -0.1923036 0.3741305), wk = 0.0024213 k( 364) = ( 0.1976515 -0.1976515 0.3687826), wk = 0.0024213 k( 365) = ( 0.2029993 -0.2029993 0.3634348), wk = 0.0024213 k( 366) = ( 0.2083472 -0.2083472 0.3580869), wk = 0.0024213 k( 367) = ( 0.2136950 -0.2136950 0.3527391), wk = 0.0024213 k( 368) = ( 0.2190429 -0.2190429 0.3473912), wk = 0.0024213 k( 369) = ( 0.2243907 -0.2243907 0.3420434), wk = 0.0024213 k( 370) = ( 0.2297386 -0.2297386 0.3366955), wk = 0.0024213 k( 371) = ( 0.2350864 -0.2350864 0.3313477), wk = 0.0024213 k( 372) = ( 0.2404343 -0.2404343 0.3259998), wk = 0.0024213 k( 373) = ( 0.2457821 -0.2457821 0.3206520), wk = 0.0024213 k( 374) = ( 0.2511300 -0.2511300 0.3153042), wk = 0.0024213 k( 375) = ( 0.2564778 -0.2564778 0.3099563), wk = 0.0024213 k( 376) = ( 0.2618257 -0.2618257 0.3046085), wk = 0.0024213 k( 377) = ( 0.2671735 -0.2671735 0.2992606), wk = 0.0024213 k( 378) = ( 0.2725214 -0.2725214 0.2939128), wk = 0.0024213 k( 379) = ( 0.2778692 -0.2778692 0.2885649), wk = 0.0024213 k( 380) = ( 0.2832171 -0.2832171 0.2832171), wk = 0.0024213 k( 381) = ( 0.7167829 0.2832171 -0.2832171), wk = 0.0024213 k( 382) = ( 0.7100085 0.2899915 -0.2899915), wk = 0.0024213 k( 383) = ( 0.7032340 0.2967660 -0.2967660), wk = 0.0024213 k( 384) = ( 0.6964595 0.3035405 -0.3035405), wk = 0.0024213 k( 385) = ( 0.6896851 0.3103149 -0.3103149), wk = 0.0024213 k( 386) = ( 0.6829106 0.3170894 -0.3170894), wk = 0.0024213 k( 387) = ( 0.6761361 0.3238639 -0.3238639), wk = 0.0024213 k( 388) = ( 0.6693617 0.3306383 -0.3306383), wk = 0.0024213 k( 389) = ( 0.6625872 0.3374128 -0.3374128), wk = 0.0024213 k( 390) = ( 0.6558127 0.3441873 -0.3441873), wk = 0.0024213 k( 391) = ( 0.6490383 0.3509617 -0.3509617), wk = 0.0024213 k( 392) = ( 0.6422638 0.3577362 -0.3577362), wk = 0.0024213 k( 393) = ( 0.6354893 0.3645107 -0.3645107), wk = 0.0024213 k( 394) = ( 0.6287149 0.3712851 -0.3712851), wk = 0.0024213 k( 395) = ( 0.6219404 0.3780596 -0.3780596), wk = 0.0024213 k( 396) = ( 0.6151659 0.3848341 -0.3848341), wk = 0.0024213 k( 397) = ( 0.6083915 0.3916085 -0.3916085), wk = 0.0024213 k( 398) = ( 0.6016170 0.3983830 -0.3983830), wk = 0.0024213 k( 399) = ( 0.5948425 0.4051575 -0.4051575), wk = 0.0024213 k( 400) = ( 0.5880681 0.4119319 -0.4119319), wk = 0.0024213 k( 401) = ( 0.5812936 0.4187064 -0.4187064), wk = 0.0024213 k( 402) = ( 0.5745191 0.4254809 -0.4254809), wk = 0.0024213 k( 403) = ( 0.5677447 0.4322553 -0.4322553), wk = 0.0024213 k( 404) = ( 0.5609702 0.4390298 -0.4390298), wk = 0.0024213 k( 405) = ( 0.5541957 0.4458043 -0.4458043), wk = 0.0024213 k( 406) = ( 0.5474213 0.4525787 -0.4525787), wk = 0.0024213 k( 407) = ( 0.5406468 0.4593532 -0.4593532), wk = 0.0024213 k( 408) = ( 0.5338723 0.4661277 -0.4661277), wk = 0.0024213 k( 409) = ( 0.5270979 0.4729021 -0.4729021), wk = 0.0024213 k( 410) = ( 0.5203234 0.4796766 -0.4796766), wk = 0.0024213 k( 411) = ( 0.5135489 0.4864511 -0.4864511), wk = 0.0024213 k( 412) = ( 0.5067745 0.4932255 -0.4932255), wk = 0.0024213 k( 413) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0024213 Dense grid: 59881 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 21247 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.11 Mb ( 158, 46) NL pseudopotentials 0.21 Mb ( 79, 172) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.01 Mb ( 1664) G-vector shells 0.01 Mb ( 1542) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.44 Mb ( 158, 184) Each subspace H/S matrix 0.03 Mb ( 46, 46) Each matrix 0.24 Mb ( 172, 2, 46) Check: negative/imaginary core charge= -0.000008 0.000000 The potential is recalculated from file : ./C5S3.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.9 secs Computing kpt #: 2 total cpu time spent up to now is 4.6 secs Computing kpt #: 3 total cpu time spent up to now is 5.2 secs Computing kpt #: 4 total cpu time spent up to now is 5.9 secs Computing kpt #: 5 total cpu time spent up to now is 6.5 secs Computing kpt #: 6 total cpu time spent up to now is 7.0 secs Computing kpt #: 7 total cpu time spent up to now is 7.5 secs Computing kpt #: 8 total cpu time spent up to now is 8.0 secs Computing kpt #: 9 total cpu time spent up to now is 8.6 secs Computing kpt #: 10 total cpu time spent up to now is 9.1 secs Computing kpt #: 11 total cpu time spent up to now is 9.6 secs Computing kpt #: 12 total cpu time spent up to now is 10.1 secs Computing kpt #: 13 total cpu time spent up to now is 10.6 secs Computing kpt #: 14 total cpu time spent up to now is 11.1 secs Computing kpt #: 15 total cpu time spent up to now is 11.7 secs Computing kpt #: 16 total cpu time spent up to now is 12.2 secs Computing kpt #: 17 total cpu time spent up to now is 12.8 secs Computing kpt #: 18 total cpu time spent up to now is 13.5 secs Computing kpt #: 19 total cpu time spent up to now is 14.1 secs Computing kpt #: 20 total cpu time spent up to now is 14.7 secs Computing kpt #: 21 total cpu time spent up to now is 15.2 secs Computing kpt #: 22 total cpu time spent up to now is 15.8 secs Computing kpt #: 23 total cpu time spent up to now is 16.4 secs Computing kpt #: 24 total cpu time spent up to now is 16.9 secs Computing kpt #: 25 total cpu time spent up to now is 17.4 secs Computing kpt #: 26 total cpu time spent up to now is 17.8 secs Computing kpt #: 27 total cpu time spent up to now is 18.3 secs Computing kpt #: 28 total cpu time spent up to now is 18.8 secs Computing kpt #: 29 total cpu time spent up to now is 19.2 secs Computing kpt #: 30 total cpu time spent up to now is 19.6 secs Computing kpt #: 31 total cpu time spent up to now is 20.1 secs Computing kpt #: 32 total cpu time spent up to now is 20.5 secs Computing kpt #: 33 total cpu time spent up to now is 21.0 secs Computing kpt #: 34 total cpu time spent up to now is 21.4 secs Computing kpt #: 35 total cpu time spent up to now is 21.9 secs Computing kpt #: 36 total cpu time spent up to now is 22.3 secs Computing kpt #: 37 total cpu time spent up to now is 22.8 secs Computing kpt #: 38 total cpu time spent up to now is 23.2 secs Computing kpt #: 39 total cpu time spent up to now is 23.7 secs Computing kpt #: 40 total cpu time spent up to now is 24.1 secs Computing kpt #: 41 total cpu time spent up to now is 24.6 secs Computing kpt #: 42 total cpu time spent up to now is 25.0 secs Computing kpt #: 43 total cpu time spent up to now is 25.5 secs Computing kpt #: 44 total cpu time spent up to now is 25.9 secs Computing kpt #: 45 total cpu time spent up to now is 26.4 secs Computing kpt #: 46 total cpu time spent up to now is 26.8 secs Computing kpt #: 47 total cpu time spent up to now is 27.3 secs Computing kpt #: 48 total cpu time spent up to now is 27.8 secs Computing kpt #: 49 total cpu time spent up to now is 28.3 secs Computing kpt #: 50 total cpu time spent up to now is 28.7 secs Computing kpt #: 51 total cpu time spent up to now is 29.2 secs Computing kpt #: 52 total cpu time spent up to now is 29.7 secs Computing kpt #: 53 total cpu time spent up to now is 30.2 secs Computing kpt #: 54 total cpu time spent up to now is 30.8 secs Computing kpt #: 55 total cpu time spent up to now is 31.3 secs Computing kpt #: 56 total cpu time spent up to now is 31.8 secs Computing kpt #: 57 total cpu time spent up to now is 32.4 secs Computing kpt #: 58 total cpu time spent up to now is 33.0 secs Computing kpt #: 59 total cpu time spent up to now is 33.5 secs Computing kpt #: 60 total cpu time spent up to now is 34.0 secs Computing kpt #: 61 total cpu time spent up to now is 34.7 secs Computing kpt #: 62 total cpu time spent up to now is 35.3 secs Computing kpt #: 63 total cpu time spent up to now is 35.9 secs Computing kpt #: 64 total cpu time spent up to now is 36.4 secs Computing kpt #: 65 total cpu time spent up to now is 36.9 secs Computing kpt #: 66 total cpu time spent up to now is 37.4 secs Computing kpt #: 67 total cpu time spent up to now is 37.9 secs Computing kpt #: 68 total cpu time spent up to now is 38.4 secs Computing kpt #: 69 total cpu time spent up to now is 38.9 secs Computing kpt #: 70 total cpu time spent up to now is 39.4 secs Computing kpt #: 71 total cpu time spent up to now is 39.8 secs Computing kpt #: 72 total cpu time spent up to now is 40.3 secs Computing kpt #: 73 total cpu time spent up to now is 40.8 secs Computing kpt #: 74 total cpu time spent up to now is 41.3 secs Computing kpt #: 75 total cpu time spent up to now is 41.9 secs Computing kpt #: 76 total cpu time spent up to now is 42.4 secs Computing kpt #: 77 total cpu time spent up to now is 43.0 secs Computing kpt #: 78 total cpu time spent up to now is 43.6 secs Computing kpt #: 79 total cpu time spent up to now is 44.1 secs Computing kpt #: 80 total cpu time spent up to now is 44.6 secs Computing kpt #: 81 total cpu time spent up to now is 45.1 secs Computing kpt #: 82 total cpu time spent up to now is 45.6 secs Computing kpt #: 83 total cpu time spent up to now is 46.1 secs Computing kpt #: 84 total cpu time spent up to now is 46.6 secs Computing kpt #: 85 total cpu time spent up to now is 47.0 secs Computing kpt #: 86 total cpu time spent up to now is 47.5 secs Computing kpt #: 87 total cpu time spent up to now is 48.0 secs Computing kpt #: 88 total cpu time spent up to now is 48.4 secs Computing kpt #: 89 total cpu time spent up to now is 48.9 secs Computing kpt #: 90 total cpu time spent up to now is 49.4 secs Computing kpt #: 91 total cpu time spent up to now is 49.8 secs Computing kpt #: 92 total cpu time spent up to now is 50.3 secs Computing kpt #: 93 total cpu time spent up to now is 50.7 secs Computing kpt #: 94 total cpu time spent up to now is 51.2 secs Computing kpt #: 95 total cpu time spent up to now is 51.7 secs Computing kpt #: 96 total cpu time spent up to now is 52.1 secs Computing kpt #: 97 total cpu time spent up to now is 52.6 secs Computing kpt #: 98 total cpu time spent up to now is 53.1 secs Computing kpt #: 99 total cpu time spent up to now is 53.6 secs Computing kpt #: 100 total cpu time spent up to now is 54.1 secs Computing kpt #: 101 total cpu time spent up to now is 54.6 secs Computing kpt #: 102 total cpu time spent up to now is 55.2 secs Computing kpt #: 103 total cpu time spent up to now is 55.9 secs Computing kpt #: 104 total cpu time spent up to now is 56.5 secs Computing kpt #: 105 total cpu time spent up to now is 57.0 secs Computing kpt #: 106 total cpu time spent up to now is 57.6 secs Computing kpt #: 107 total cpu time spent up to now is 58.1 secs Computing kpt #: 108 total cpu time spent up to now is 58.6 secs Computing kpt #: 109 total cpu time spent up to now is 59.2 secs Computing kpt #: 110 total cpu time spent up to now is 59.7 secs Computing kpt #: 111 total cpu time spent up to now is 60.2 secs Computing kpt #: 112 total cpu time spent up to now is 60.7 secs Computing kpt #: 113 total cpu time spent up to now is 61.3 secs Computing kpt #: 114 total cpu time spent up to now is 61.8 secs Computing kpt #: 115 total cpu time spent up to now is 62.3 secs Computing kpt #: 116 total cpu time spent up to now is 62.8 secs Computing kpt #: 117 total cpu time spent up to now is 63.3 secs Computing kpt #: 118 total cpu time spent up to now is 63.8 secs Computing kpt #: 119 total cpu time spent up to now is 64.3 secs Computing kpt #: 120 total cpu time spent up to now is 64.8 secs Computing kpt #: 121 total cpu time spent up to now is 65.2 secs Computing kpt #: 122 total cpu time spent up to now is 65.7 secs Computing kpt #: 123 total cpu time spent up to now is 66.2 secs Computing kpt #: 124 total cpu time spent up to now is 66.6 secs Computing kpt #: 125 total cpu time spent up to now is 67.1 secs Computing kpt #: 126 total cpu time spent up to now is 67.6 secs Computing kpt #: 127 total cpu time spent up to now is 68.1 secs Computing kpt #: 128 total cpu time spent up to now is 68.6 secs Computing kpt #: 129 total cpu time spent up to now is 69.0 secs Computing kpt #: 130 total cpu time spent up to now is 69.5 secs Computing kpt #: 131 total cpu time spent up to now is 70.0 secs Computing kpt #: 132 total cpu time spent up to now is 70.5 secs Computing kpt #: 133 total cpu time spent up to now is 70.9 secs Computing kpt #: 134 total cpu time spent up to now is 71.4 secs Computing kpt #: 135 total cpu time spent up to now is 71.9 secs Computing kpt #: 136 total cpu time spent up to now is 72.4 secs Computing kpt #: 137 total cpu time spent up to now is 72.9 secs Computing kpt #: 138 total cpu time spent up to now is 73.3 secs Computing kpt #: 139 total cpu time spent up to now is 73.8 secs Computing kpt #: 140 total cpu time spent up to now is 74.3 secs Computing kpt #: 141 total cpu time spent up to now is 74.8 secs Computing kpt #: 142 total cpu time spent up to now is 75.4 secs Computing kpt #: 143 total cpu time spent up to now is 75.9 secs Computing kpt #: 144 total cpu time spent up to now is 76.4 secs Computing kpt #: 145 total cpu time spent up to now is 76.8 secs Computing kpt #: 146 total cpu time spent up to now is 77.4 secs Computing kpt #: 147 total cpu time spent up to now is 77.9 secs Computing kpt #: 148 total cpu time spent up to now is 78.4 secs Computing kpt #: 149 total cpu time spent up to now is 78.9 secs Computing kpt #: 150 total cpu time spent up to now is 79.4 secs Computing kpt #: 151 total cpu time spent up to now is 80.0 secs Computing kpt #: 152 total cpu time spent up to now is 80.7 secs Computing kpt #: 153 total cpu time spent up to now is 81.3 secs Computing kpt #: 154 total cpu time spent up to now is 81.9 secs Computing kpt #: 155 total cpu time spent up to now is 82.5 secs Computing kpt #: 156 total cpu time spent up to now is 83.0 secs Computing kpt #: 157 total cpu time spent up to now is 83.5 secs Computing kpt #: 158 total cpu time spent up to now is 84.0 secs Computing kpt #: 159 total cpu time spent up to now is 84.5 secs Computing kpt #: 160 total cpu time spent up to now is 85.0 secs Computing kpt #: 161 total cpu time spent up to now is 85.5 secs Computing kpt #: 162 total cpu time spent up to now is 86.0 secs Computing kpt #: 163 total cpu time spent up to now is 86.6 secs Computing kpt #: 164 total cpu time spent up to now is 87.2 secs Computing kpt #: 165 total cpu time spent up to now is 87.9 secs Computing kpt #: 166 total cpu time spent up to now is 88.5 secs Computing kpt #: 167 total cpu time spent up to now is 89.2 secs Computing kpt #: 168 total cpu time spent up to now is 89.8 secs Computing kpt #: 169 total cpu time spent up to now is 90.4 secs Computing kpt #: 170 total cpu time spent up to now is 91.0 secs Computing kpt #: 171 total cpu time spent up to now is 91.5 secs Computing kpt #: 172 total cpu time spent up to now is 92.0 secs Computing kpt #: 173 total cpu time spent up to now is 92.6 secs Computing kpt #: 174 total cpu time spent up to now is 93.1 secs Computing kpt #: 175 total cpu time spent up to now is 93.6 secs Computing kpt #: 176 total cpu time spent up to now is 94.1 secs Computing kpt #: 177 total cpu time spent up to now is 94.7 secs Computing kpt #: 178 total cpu time spent up to now is 95.2 secs Computing kpt #: 179 total cpu time spent up to now is 95.9 secs Computing kpt #: 180 total cpu time spent up to now is 96.5 secs Computing kpt #: 181 total cpu time spent up to now is 97.1 secs Computing kpt #: 182 total cpu time spent up to now is 97.7 secs Computing kpt #: 183 total cpu time spent up to now is 98.3 secs Computing kpt #: 184 total cpu time spent up to now is 98.8 secs Computing kpt #: 185 total cpu time spent up to now is 99.5 secs Computing kpt #: 186 total cpu time spent up to now is 100.4 secs Computing kpt #: 187 total cpu time spent up to now is 101.2 secs Computing kpt #: 188 total cpu time spent up to now is 101.8 secs Computing kpt #: 189 total cpu time spent up to now is 102.4 secs Computing kpt #: 190 total cpu time spent up to now is 102.9 secs Computing kpt #: 191 total cpu time spent up to now is 103.4 secs Computing kpt #: 192 total cpu time spent up to now is 103.9 secs Computing kpt #: 193 total cpu time spent up to now is 104.4 secs Computing kpt #: 194 total cpu time spent up to now is 104.9 secs Computing kpt #: 195 total cpu time spent up to now is 105.4 secs Computing kpt #: 196 total cpu time spent up to now is 106.0 secs Computing kpt #: 197 total cpu time spent up to now is 106.5 secs Computing kpt #: 198 total cpu time spent up to now is 107.0 secs Computing kpt #: 199 total cpu time spent up to now is 107.5 secs Computing kpt #: 200 total cpu time spent up to now is 108.0 secs Computing kpt #: 201 total cpu time spent up to now is 108.5 secs Computing kpt #: 202 total cpu time spent up to now is 108.9 secs Computing kpt #: 203 total cpu time spent up to now is 109.4 secs Computing kpt #: 204 total cpu time spent up to now is 109.9 secs Computing kpt #: 205 total cpu time spent up to now is 110.4 secs Computing kpt #: 206 total cpu time spent up to now is 111.1 secs Computing kpt #: 207 total cpu time spent up to now is 111.9 secs Computing kpt #: 208 total cpu time spent up to now is 112.4 secs Computing kpt #: 209 total cpu time spent up to now is 113.0 secs Computing kpt #: 210 total cpu time spent up to now is 113.5 secs Computing kpt #: 211 total cpu time spent up to now is 114.1 secs Computing kpt #: 212 total cpu time spent up to now is 114.6 secs Computing kpt #: 213 total cpu time spent up to now is 115.1 secs Computing kpt #: 214 total cpu time spent up to now is 115.6 secs Computing kpt #: 215 total cpu time spent up to now is 116.2 secs Computing kpt #: 216 total cpu time spent up to now is 116.7 secs Computing kpt #: 217 total cpu time spent up to now is 117.5 secs Computing kpt #: 218 total cpu time spent up to now is 118.4 secs Computing kpt #: 219 total cpu time spent up to now is 119.0 secs Computing kpt #: 220 total cpu time spent up to now is 119.7 secs Computing kpt #: 221 total cpu time spent up to now is 120.5 secs Computing kpt #: 222 total cpu time spent up to now is 121.2 secs Computing kpt #: 223 total cpu time spent up to now is 121.9 secs Computing kpt #: 224 total cpu time spent up to now is 122.7 secs Computing kpt #: 225 total cpu time spent up to now is 123.3 secs Computing kpt #: 226 total cpu time spent up to now is 123.9 secs Computing kpt #: 227 total cpu time spent up to now is 124.6 secs Computing kpt #: 228 total cpu time spent up to now is 125.2 secs Computing kpt #: 229 total cpu time spent up to now is 125.9 secs Computing kpt #: 230 total cpu time spent up to now is 126.6 secs Computing kpt #: 231 total cpu time spent up to now is 127.3 secs Computing kpt #: 232 total cpu time spent up to now is 127.9 secs Computing kpt #: 233 total cpu time spent up to now is 128.5 secs Computing kpt #: 234 total cpu time spent up to now is 129.2 secs Computing kpt #: 235 total cpu time spent up to now is 129.8 secs Computing kpt #: 236 total cpu time spent up to now is 130.3 secs Computing kpt #: 237 total cpu time spent up to now is 130.8 secs Computing kpt #: 238 total cpu time spent up to now is 131.3 secs Computing kpt #: 239 total cpu time spent up to now is 131.8 secs Computing kpt #: 240 total cpu time spent up to now is 132.3 secs Computing kpt #: 241 total cpu time spent up to now is 132.8 secs Computing kpt #: 242 total cpu time spent up to now is 133.3 secs Computing kpt #: 243 total cpu time spent up to now is 133.8 secs Computing kpt #: 244 total cpu time spent up to now is 134.3 secs Computing kpt #: 245 total cpu time spent up to now is 134.9 secs Computing kpt #: 246 total cpu time spent up to now is 135.4 secs Computing kpt #: 247 total cpu time spent up to now is 135.9 secs Computing kpt #: 248 total cpu time spent up to now is 136.4 secs Computing kpt #: 249 total cpu time spent up to now is 136.9 secs Computing kpt #: 250 total cpu time spent up to now is 137.4 secs Computing kpt #: 251 total cpu time spent up to now is 137.9 secs Computing kpt #: 252 total cpu time spent up to now is 138.4 secs Computing kpt #: 253 total cpu time spent up to now is 138.9 secs Computing kpt #: 254 total cpu time spent up to now is 139.4 secs Computing kpt #: 255 total cpu time spent up to now is 140.0 secs Computing kpt #: 256 total cpu time spent up to now is 140.5 secs Computing kpt #: 257 total cpu time spent up to now is 141.0 secs Computing kpt #: 258 total cpu time spent up to now is 141.6 secs Computing kpt #: 259 total cpu time spent up to now is 142.3 secs Computing kpt #: 260 total cpu time spent up to now is 143.0 secs Computing kpt #: 261 total cpu time spent up to now is 143.7 secs Computing kpt #: 262 total cpu time spent up to now is 144.4 secs Computing kpt #: 263 total cpu time spent up to now is 145.1 secs Computing kpt #: 264 total cpu time spent up to now is 145.9 secs Computing kpt #: 265 total cpu time spent up to now is 146.7 secs Computing kpt #: 266 total cpu time spent up to now is 147.4 secs Computing kpt #: 267 total cpu time spent up to now is 148.0 secs Computing kpt #: 268 total cpu time spent up to now is 148.6 secs Computing kpt #: 269 total cpu time spent up to now is 149.1 secs Computing kpt #: 270 total cpu time spent up to now is 149.6 secs Computing kpt #: 271 total cpu time spent up to now is 150.2 secs Computing kpt #: 272 total cpu time spent up to now is 150.7 secs Computing kpt #: 273 total cpu time spent up to now is 151.2 secs Computing kpt #: 274 total cpu time spent up to now is 151.7 secs Computing kpt #: 275 total cpu time spent up to now is 152.2 secs Computing kpt #: 276 total cpu time spent up to now is 152.7 secs Computing kpt #: 277 total cpu time spent up to now is 153.2 secs Computing kpt #: 278 total cpu time spent up to now is 153.8 secs Computing kpt #: 279 total cpu time spent up to now is 154.5 secs Computing kpt #: 280 total cpu time spent up to now is 155.3 secs Computing kpt #: 281 total cpu time spent up to now is 156.0 secs Computing kpt #: 282 total cpu time spent up to now is 156.6 secs Computing kpt #: 283 total cpu time spent up to now is 157.1 secs Computing kpt #: 284 total cpu time spent up to now is 157.7 secs Computing kpt #: 285 total cpu time spent up to now is 158.2 secs Computing kpt #: 286 total cpu time spent up to now is 158.7 secs Computing kpt #: 287 total cpu time spent up to now is 159.2 secs Computing kpt #: 288 total cpu time spent up to now is 159.7 secs Computing kpt #: 289 total cpu time spent up to now is 160.1 secs Computing kpt #: 290 total cpu time spent up to now is 160.6 secs Computing kpt #: 291 total cpu time spent up to now is 161.1 secs Computing kpt #: 292 total cpu time spent up to now is 161.7 secs Computing kpt #: 293 total cpu time spent up to now is 162.2 secs Computing kpt #: 294 total cpu time spent up to now is 162.7 secs Computing kpt #: 295 total cpu time spent up to now is 163.2 secs Computing kpt #: 296 total cpu time spent up to now is 163.7 secs Computing kpt #: 297 total cpu time spent up to now is 164.2 secs Computing kpt #: 298 total cpu time spent up to now is 164.7 secs Computing kpt #: 299 total cpu time spent up to now is 165.2 secs Computing kpt #: 300 total cpu time spent up to now is 165.7 secs Computing kpt #: 301 total cpu time spent up to now is 166.2 secs Computing kpt #: 302 total cpu time spent up to now is 166.7 secs Computing kpt #: 303 total cpu time spent up to now is 167.2 secs Computing kpt #: 304 total cpu time spent up to now is 167.8 secs Computing kpt #: 305 total cpu time spent up to now is 168.3 secs Computing kpt #: 306 total cpu time spent up to now is 168.8 secs Computing kpt #: 307 total cpu time spent up to now is 169.3 secs Computing kpt #: 308 total cpu time spent up to now is 169.9 secs Computing kpt #: 309 total cpu time spent up to now is 170.4 secs Computing kpt #: 310 total cpu time spent up to now is 170.9 secs Computing kpt #: 311 total cpu time spent up to now is 171.3 secs Computing kpt #: 312 total cpu time spent up to now is 171.8 secs Computing kpt #: 313 total cpu time spent up to now is 172.3 secs Computing kpt #: 314 total cpu time spent up to now is 172.8 secs Computing kpt #: 315 total cpu time spent up to now is 173.3 secs Computing kpt #: 316 total cpu time spent up to now is 173.7 secs Computing kpt #: 317 total cpu time spent up to now is 174.2 secs Computing kpt #: 318 total cpu time spent up to now is 174.8 secs Computing kpt #: 319 total cpu time spent up to now is 175.3 secs Computing kpt #: 320 total cpu time spent up to now is 175.8 secs Computing kpt #: 321 total cpu time spent up to now is 176.2 secs Computing kpt #: 322 total cpu time spent up to now is 176.7 secs Computing kpt #: 323 total cpu time spent up to now is 177.2 secs Computing kpt #: 324 total cpu time spent up to now is 177.7 secs Computing kpt #: 325 total cpu time spent up to now is 178.2 secs Computing kpt #: 326 total cpu time spent up to now is 178.6 secs Computing kpt #: 327 total cpu time spent up to now is 179.1 secs Computing kpt #: 328 total cpu time spent up to now is 179.6 secs Computing kpt #: 329 total cpu time spent up to now is 180.1 secs Computing kpt #: 330 total cpu time spent up to now is 180.6 secs Computing kpt #: 331 total cpu time spent up to now is 181.2 secs Computing kpt #: 332 total cpu time spent up to now is 181.7 secs Computing kpt #: 333 total cpu time spent up to now is 182.3 secs Computing kpt #: 334 total cpu time spent up to now is 182.9 secs Computing kpt #: 335 total cpu time spent up to now is 183.4 secs Computing kpt #: 336 total cpu time spent up to now is 184.0 secs Computing kpt #: 337 total cpu time spent up to now is 184.5 secs Computing kpt #: 338 total cpu time spent up to now is 184.9 secs Computing kpt #: 339 total cpu time spent up to now is 185.4 secs Computing kpt #: 340 total cpu time spent up to now is 185.9 secs Computing kpt #: 341 total cpu time spent up to now is 186.4 secs Computing kpt #: 342 total cpu time spent up to now is 186.9 secs Computing kpt #: 343 total cpu time spent up to now is 187.4 secs Computing kpt #: 344 total cpu time spent up to now is 187.9 secs Computing kpt #: 345 total cpu time spent up to now is 188.4 secs Computing kpt #: 346 total cpu time spent up to now is 188.9 secs Computing kpt #: 347 total cpu time spent up to now is 189.4 secs Computing kpt #: 348 total cpu time spent up to now is 189.9 secs Computing kpt #: 349 total cpu time spent up to now is 190.4 secs Computing kpt #: 350 total cpu time spent up to now is 190.8 secs Computing kpt #: 351 total cpu time spent up to now is 191.3 secs Computing kpt #: 352 total cpu time spent up to now is 191.8 secs Computing kpt #: 353 total cpu time spent up to now is 192.3 secs Computing kpt #: 354 total cpu time spent up to now is 192.8 secs Computing kpt #: 355 total cpu time spent up to now is 193.3 secs Computing kpt #: 356 total cpu time spent up to now is 193.8 secs Computing kpt #: 357 total cpu time spent up to now is 194.3 secs Computing kpt #: 358 total cpu time spent up to now is 194.8 secs Computing kpt #: 359 total cpu time spent up to now is 195.3 secs Computing kpt #: 360 total cpu time spent up to now is 195.9 secs Computing kpt #: 361 total cpu time spent up to now is 196.4 secs Computing kpt #: 362 total cpu time spent up to now is 197.2 secs Computing kpt #: 363 total cpu time spent up to now is 197.8 secs Computing kpt #: 364 total cpu time spent up to now is 198.4 secs Computing kpt #: 365 total cpu time spent up to now is 198.9 secs Computing kpt #: 366 total cpu time spent up to now is 199.4 secs Computing kpt #: 367 total cpu time spent up to now is 199.9 secs Computing kpt #: 368 total cpu time spent up to now is 200.4 secs Computing kpt #: 369 total cpu time spent up to now is 200.9 secs Computing kpt #: 370 total cpu time spent up to now is 201.4 secs Computing kpt #: 371 total cpu time spent up to now is 201.9 secs Computing kpt #: 372 total cpu time spent up to now is 202.5 secs Computing kpt #: 373 total cpu time spent up to now is 203.0 secs Computing kpt #: 374 total cpu time spent up to now is 203.5 secs Computing kpt #: 375 total cpu time spent up to now is 204.0 secs Computing kpt #: 376 total cpu time spent up to now is 204.5 secs Computing kpt #: 377 total cpu time spent up to now is 205.1 secs Computing kpt #: 378 total cpu time spent up to now is 205.6 secs Computing kpt #: 379 total cpu time spent up to now is 206.2 secs Computing kpt #: 380 total cpu time spent up to now is 206.7 secs Computing kpt #: 381 total cpu time spent up to now is 207.2 secs Computing kpt #: 382 total cpu time spent up to now is 207.7 secs Computing kpt #: 383 total cpu time spent up to now is 208.2 secs Computing kpt #: 384 total cpu time spent up to now is 208.7 secs Computing kpt #: 385 total cpu time spent up to now is 209.2 secs Computing kpt #: 386 total cpu time spent up to now is 209.7 secs Computing kpt #: 387 total cpu time spent up to now is 210.2 secs Computing kpt #: 388 total cpu time spent up to now is 210.7 secs Computing kpt #: 389 total cpu time spent up to now is 211.2 secs Computing kpt #: 390 total cpu time spent up to now is 211.7 secs Computing kpt #: 391 total cpu time spent up to now is 212.2 secs Computing kpt #: 392 total cpu time spent up to now is 212.7 secs Computing kpt #: 393 total cpu time spent up to now is 213.2 secs Computing kpt #: 394 total cpu time spent up to now is 213.7 secs Computing kpt #: 395 total cpu time spent up to now is 214.2 secs Computing kpt #: 396 total cpu time spent up to now is 214.7 secs Computing kpt #: 397 total cpu time spent up to now is 215.4 secs Computing kpt #: 398 total cpu time spent up to now is 216.0 secs Computing kpt #: 399 total cpu time spent up to now is 216.8 secs Computing kpt #: 400 total cpu time spent up to now is 217.5 secs Computing kpt #: 401 total cpu time spent up to now is 218.1 secs Computing kpt #: 402 total cpu time spent up to now is 218.7 secs Computing kpt #: 403 total cpu time spent up to now is 219.3 secs Computing kpt #: 404 total cpu time spent up to now is 219.8 secs Computing kpt #: 405 total cpu time spent up to now is 220.4 secs Computing kpt #: 406 total cpu time spent up to now is 220.9 secs Computing kpt #: 407 total cpu time spent up to now is 221.4 secs Computing kpt #: 408 total cpu time spent up to now is 221.9 secs Computing kpt #: 409 total cpu time spent up to now is 222.6 secs Computing kpt #: 410 total cpu time spent up to now is 223.1 secs Computing kpt #: 411 total cpu time spent up to now is 223.5 secs Computing kpt #: 412 total cpu time spent up to now is 224.0 secs Computing kpt #: 413 total cpu time spent up to now is 224.5 secs ethr = 2.63E-08, avg # of iterations = 18.9 total cpu time spent up to now is 224.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2673 PWs) bands (ev): -9.0658 -9.0658 -6.3733 -6.3733 -5.3913 -5.3913 -3.9540 -3.9540 -2.2418 -2.2418 -0.3565 -0.3565 0.0124 0.0124 0.3797 0.3797 3.0908 3.0908 3.6716 3.6716 3.7842 3.7842 4.3335 4.3335 5.7043 5.7043 6.1074 6.1074 7.4168 7.4168 7.7790 7.7790 7.9745 7.9745 8.0542 8.0542 8.8991 8.8991 9.0760 9.0760 9.4122 9.4122 9.6324 9.6324 10.2572 10.2572 k =-0.0054 0.0117 0.0166 ( 2673 PWs) bands (ev): -9.0646 -9.0646 -6.3725 -6.3725 -5.3902 -5.3902 -3.9542 -3.9542 -2.2419 -2.2419 -0.3625 -0.3625 0.0134 0.0134 0.3808 0.3808 3.0960 3.0960 3.6266 3.6266 3.8245 3.8245 4.3339 4.3339 5.7023 5.7023 6.1085 6.1085 7.4161 7.4161 7.7765 7.7765 7.8604 7.8604 8.1721 8.1721 8.8776 8.8776 9.0729 9.0729 9.4060 9.4060 9.6349 9.6349 10.2776 10.2776 k =-0.0108 0.0234 0.0332 ( 2677 PWs) bands (ev): -9.0611 -9.0611 -6.3702 -6.3702 -5.3869 -5.3869 -3.9547 -3.9547 -2.2422 -2.2422 -0.3804 -0.3804 0.0166 0.0166 0.3842 0.3842 3.1112 3.1112 3.5470 3.5470 3.8904 3.8904 4.3351 4.3351 5.6963 5.6963 6.1117 6.1117 7.4141 7.4141 7.7014 7.7014 7.7887 7.7887 8.3227 8.3227 8.8170 8.8170 9.0637 9.0637 9.3887 9.3887 9.6426 9.6426 10.3341 10.3341 k =-0.0162 0.0351 0.0498 ( 2681 PWs) bands (ev): -9.0554 -9.0554 -6.3662 -6.3662 -5.3815 -5.3815 -3.9556 -3.9556 -2.2427 -2.2427 -0.4097 -0.4097 0.0218 0.0218 0.3900 0.3900 3.1362 3.1362 3.4588 3.4588 3.9557 3.9557 4.3371 4.3371 5.6860 5.6860 6.1171 6.1171 7.4106 7.4106 7.5575 7.5575 7.7866 7.7866 8.4740 8.4740 8.7260 8.7260 9.0492 9.0492 9.3635 9.3635 9.6549 9.6549 10.4129 10.4129 k =-0.0216 0.0468 0.0664 ( 2687 PWs) bands (ev): -9.0473 -9.0473 -6.3608 -6.3608 -5.3740 -5.3740 -3.9568 -3.9568 -2.2436 -2.2436 -0.4498 -0.4498 0.0291 0.0291 0.3980 0.3980 3.1703 3.1703 3.3664 3.3664 4.0164 4.0164 4.3398 4.3398 5.6709 5.6709 6.1246 6.1246 7.4047 7.4047 7.4149 7.4149 7.7868 7.7868 8.5968 8.5968 8.6396 8.6396 9.0308 9.0308 9.3345 9.3345 9.6716 9.6716 10.4787 10.4787 k =-0.0270 0.0585 0.0830 ( 2683 PWs) bands (ev): -9.0369 -9.0369 -6.3537 -6.3537 -5.3643 -5.3643 -3.9585 -3.9585 -2.2450 -2.2450 -0.4996 -0.4996 0.0385 0.0385 0.4083 0.4083 3.2124 3.2124 3.2713 3.2713 4.0712 4.0712 4.3432 4.3432 5.6504 5.6504 6.1342 6.1342 7.2742 7.2742 7.3991 7.3991 7.7861 7.7861 8.4809 8.4809 8.7694 8.7694 9.0142 9.0142 9.3058 9.3058 9.6922 9.6922 10.4876 10.4876 k =-0.0324 0.0702 0.0995 ( 2691 PWs) bands (ev): -9.0242 -9.0242 -6.3452 -6.3452 -5.3524 -5.3524 -3.9606 -3.9606 -2.2471 -2.2471 -0.5581 -0.5581 0.0500 0.0500 0.4209 0.4209 3.1727 3.1727 3.2635 3.2635 4.1195 4.1195 4.3471 4.3471 5.6234 5.6234 6.1459 6.1459 7.1400 7.1400 7.3908 7.3908 7.7837 7.7837 8.3432 8.3432 8.8737 8.8737 9.0287 9.0287 9.2807 9.2807 9.7160 9.7160 10.4617 10.4617 k =-0.0378 0.0819 0.1161 ( 2691 PWs) bands (ev): -9.0092 -9.0092 -6.3351 -6.3351 -5.3385 -5.3385 -3.9631 -3.9631 -2.2502 -2.2502 -0.6240 -0.6240 0.0636 0.0636 0.4358 0.4358 3.0739 3.0739 3.3201 3.3201 4.1612 4.1612 4.3514 4.3514 5.5890 5.5890 6.1597 6.1597 7.0127 7.0127 7.3806 7.3806 7.7786 7.7786 8.1986 8.1986 8.8857 8.8857 9.1294 9.1294 9.2621 9.2621 9.7424 9.7424 10.4215 10.4215 k =-0.0432 0.0936 0.1327 ( 2691 PWs) bands (ev): -8.9919 -8.9919 -6.3236 -6.3236 -5.3224 -5.3224 -3.9662 -3.9662 -2.2546 -2.2546 -0.6960 -0.6960 0.0791 0.0791 0.4529 0.4529 2.9741 2.9741 3.3825 3.3825 4.1963 4.1963 4.3554 4.3554 5.5459 5.5459 6.1755 6.1755 6.8936 6.8936 7.3683 7.3683 7.7702 7.7702 8.0497 8.0497 8.8549 8.8549 9.2457 9.2457 9.2726 9.2726 9.7710 9.7710 10.3723 10.3723 k =-0.0486 0.1053 0.1493 ( 2689 PWs) bands (ev): -8.9723 -8.9723 -6.3107 -6.3107 -5.3042 -5.3042 -3.9697 -3.9697 -2.2608 -2.2608 -0.7728 -0.7728 0.0968 0.0968 0.4723 0.4723 2.8740 2.8740 3.4499 3.4499 4.2252 4.2252 4.3586 4.3586 5.4929 5.4929 6.1932 6.1932 6.7843 6.7843 7.3537 7.3537 7.7580 7.7580 7.8986 7.8986 8.8120 8.8120 9.2479 9.2479 9.4115 9.4115 9.8011 9.8011 10.3158 10.3158 k =-0.0540 0.1170 0.1659 ( 2685 PWs) bands (ev): -8.9504 -8.9504 -6.2964 -6.2964 -5.2838 -5.2838 -3.9739 -3.9739 -2.2694 -2.2694 -0.8529 -0.8529 0.1164 0.1164 0.4940 0.4940 2.7741 2.7741 3.5214 3.5214 4.2486 4.2486 4.3599 4.3599 5.4289 5.4289 6.2127 6.2127 6.6859 6.6859 7.3367 7.3367 7.7310 7.7310 7.7575 7.7575 8.7630 8.7630 9.2558 9.2558 9.5528 9.5528 9.8328 9.8328 10.2530 10.2530 k =-0.0594 0.1287 0.1825 ( 2679 PWs) bands (ev): -8.9263 -8.9263 -6.2808 -6.2808 -5.2615 -5.2615 -3.9787 -3.9787 -2.2811 -2.2811 -0.9347 -0.9347 0.1380 0.1380 0.5180 0.5180 2.6749 2.6749 3.5962 3.5962 4.2672 4.2672 4.3586 4.3586 5.3535 5.3535 6.2339 6.2339 6.5990 6.5990 7.3168 7.3168 7.5892 7.5892 7.7280 7.7280 8.7096 8.7096 9.2725 9.2725 9.6880 9.6880 9.8680 9.8680 10.1844 10.1844 k =-0.0648 0.1404 0.1991 ( 2679 PWs) bands (ev): -8.9000 -8.9000 -6.2639 -6.2639 -5.2371 -5.2371 -3.9842 -3.9842 -2.2967 -2.2967 -1.0166 -1.0166 0.1615 0.1615 0.5441 0.5441 2.5768 2.5768 3.6738 3.6738 4.2818 4.2818 4.3536 4.3536 5.2666 5.2666 6.2565 6.2565 6.5236 6.5236 7.2940 7.2940 7.4364 7.4364 7.7076 7.7076 8.6525 8.6525 9.2973 9.2973 9.8022 9.8022 9.9195 9.9195 10.1105 10.1105 k =-0.0702 0.1521 0.2157 ( 2669 PWs) bands (ev): -8.8713 -8.8713 -6.2458 -6.2458 -5.2106 -5.2106 -3.9903 -3.9903 -2.3173 -2.3173 -1.0969 -1.0969 0.1870 0.1870 0.5725 0.5725 2.4803 2.4803 3.7535 3.7535 4.2923 4.2923 4.3452 4.3452 5.1691 5.1691 6.2800 6.2800 6.4592 6.4592 7.2678 7.2678 7.2846 7.2846 7.6867 7.6867 8.5923 8.5923 9.3291 9.3291 9.8655 9.8655 10.0141 10.0141 10.0331 10.0331 k =-0.0756 0.1638 0.2323 ( 2669 PWs) bands (ev): -8.8405 -8.8405 -6.2266 -6.2266 -5.1821 -5.1821 -3.9973 -3.9973 -2.3441 -2.3441 -1.1739 -1.1739 0.2144 0.2144 0.6031 0.6031 2.3858 2.3858 3.8348 3.8348 4.2962 4.2962 4.3358 4.3358 5.0621 5.0621 6.3035 6.3035 6.4045 6.4045 7.1350 7.1350 7.2382 7.2382 7.6658 7.6658 8.5296 8.5296 9.3663 9.3663 9.8938 9.8938 9.9483 9.9483 10.1380 10.1380 k =-0.0810 0.1755 0.2489 ( 2665 PWs) bands (ev): -8.8074 -8.8074 -6.2064 -6.2064 -5.1517 -5.1517 -4.0051 -4.0051 -2.3783 -2.3783 -1.2458 -1.2458 0.2436 0.2436 0.6359 0.6359 2.2937 2.2937 3.9173 3.9173 4.2864 4.2864 4.3327 4.3327 4.9473 4.9473 6.3255 6.3255 6.3580 6.3580 6.9898 6.9898 7.2048 7.2048 7.6460 7.6460 8.4648 8.4648 9.4075 9.4075 9.8591 9.8591 9.9110 9.9110 10.2636 10.2636 k =-0.0864 0.1872 0.2655 ( 2661 PWs) bands (ev): -8.7722 -8.7722 -6.1853 -6.1853 -5.1193 -5.1193 -4.0136 -4.0136 -2.4211 -2.4211 -1.3108 -1.3108 0.2747 0.2747 0.6708 0.6708 2.2043 2.2043 4.0006 4.0006 4.2623 4.2623 4.3364 4.3364 4.8261 4.8261 6.3180 6.3180 6.3422 6.3422 6.8531 6.8531 7.1675 7.1675 7.6279 7.6279 8.3981 8.3981 9.4510 9.4510 9.7680 9.7680 9.9177 9.9177 10.2998 10.2998 k =-0.0918 0.1989 0.2820 ( 2657 PWs) bands (ev): -8.7348 -8.7348 -6.1634 -6.1634 -5.0850 -5.0850 -4.0231 -4.0231 -2.4734 -2.4734 -1.3678 -1.3678 0.3074 0.3074 0.7080 0.7080 2.1180 2.1180 4.0842 4.0842 4.2291 4.2291 4.3423 4.3423 4.7003 4.7003 6.2833 6.2833 6.3442 6.3442 6.7344 6.7344 7.1262 7.1262 7.6125 7.6125 8.3300 8.3300 9.4954 9.4954 9.6730 9.6730 9.9174 9.9174 10.2440 10.2440 k =-0.0972 0.2106 0.2986 ( 2657 PWs) bands (ev): -8.6952 -8.6952 -6.1408 -6.1408 -5.0488 -5.0488 -4.0333 -4.0333 -2.5356 -2.5356 -1.4159 -1.4159 0.3419 0.3419 0.7472 0.7472 2.0350 2.0350 4.1675 4.1675 4.1889 4.1889 4.3486 4.3486 4.5714 4.5714 6.2524 6.2524 6.3125 6.3125 6.6530 6.6530 7.0806 7.0806 7.6003 7.6003 8.2609 8.2609 9.5386 9.5386 9.5757 9.5757 9.9105 9.9105 10.1938 10.1938 k =-0.1026 0.2223 0.3152 ( 2653 PWs) bands (ev): -8.6535 -8.6535 -6.1177 -6.1177 -5.0108 -5.0108 -4.0444 -4.0444 -2.6077 -2.6077 -1.4549 -1.4549 0.3780 0.3780 0.7886 0.7886 1.9556 1.9556 4.1424 4.1424 4.2484 4.2484 4.3547 4.3547 4.4426 4.4426 6.2221 6.2221 6.2346 6.2346 6.6234 6.6234 7.0309 7.0309 7.5916 7.5916 8.1910 8.1910 9.4728 9.4728 9.5829 9.5829 9.8976 9.8976 10.1492 10.1492 k =-0.1080 0.2340 0.3318 ( 2657 PWs) bands (ev): -8.6097 -8.6097 -6.0943 -6.0943 -4.9710 -4.9710 -4.0562 -4.0562 -2.6889 -2.6889 -1.4851 -1.4851 0.4157 0.4157 0.8320 0.8320 1.8802 1.8802 4.0902 4.0902 4.2803 4.2803 4.3542 4.3542 4.3675 4.3675 6.1178 6.1178 6.1985 6.1985 6.6317 6.6317 6.9769 6.9769 7.5869 7.5869 8.1208 8.1208 9.3693 9.3693 9.6229 9.6229 9.8796 9.8796 10.1107 10.1107 k =-0.1134 0.2457 0.3484 ( 2657 PWs) bands (ev): -8.5638 -8.5638 -6.0707 -6.0707 -4.9294 -4.9294 -4.0687 -4.0687 -2.7783 -2.7783 -1.5074 -1.5074 0.4548 0.4548 0.8776 0.8776 1.8089 1.8089 4.0328 4.0328 4.1622 4.1622 4.3637 4.3637 4.4312 4.4312 5.9891 5.9891 6.1730 6.1730 6.6589 6.6589 6.9188 6.9188 7.5863 7.5863 8.0505 8.0505 9.2633 9.2633 9.6599 9.6599 9.8576 9.8576 10.0782 10.0782 k =-0.1188 0.2574 0.3650 ( 2653 PWs) bands (ev): -8.5159 -8.5159 -6.0471 -6.0471 -4.8861 -4.8861 -4.0819 -4.0819 -2.8746 -2.8746 -1.5225 -1.5225 0.4953 0.4953 0.9251 0.9251 1.7420 1.7420 3.9703 3.9703 4.0299 4.0299 4.3687 4.3687 4.5129 4.5129 5.8549 5.8549 6.1478 6.1478 6.6957 6.6957 6.8568 6.8568 7.5898 7.5898 7.9805 7.9805 9.1555 9.1555 9.6933 9.6933 9.8327 9.8327 10.0519 10.0519 k =-0.1242 0.2691 0.3816 ( 2657 PWs) bands (ev): -8.4659 -8.4659 -6.0239 -6.0239 -4.8413 -4.8413 -4.0955 -4.0955 -2.9767 -2.9767 -1.5317 -1.5317 0.5371 0.5371 0.9746 0.9746 1.6796 1.6796 3.8899 3.8899 3.9103 3.9103 4.3729 4.3729 4.5960 4.5960 5.7192 5.7192 6.1225 6.1225 6.7382 6.7382 6.7911 6.7911 7.5974 7.5974 7.9111 7.9111 9.0459 9.0459 9.7227 9.7227 9.8059 9.8059 10.0316 10.0316 k =-0.1296 0.2808 0.3982 ( 2657 PWs) bands (ev): -8.4140 -8.4140 -6.0012 -6.0012 -4.7948 -4.7948 -4.1093 -4.1093 -3.0834 -3.0834 -1.5359 -1.5359 0.5800 0.5800 1.0261 1.0261 1.6219 1.6219 3.7599 3.7599 3.8371 3.8371 4.3764 4.3764 4.6792 4.6792 5.5838 5.5838 6.0966 6.0966 6.7218 6.7218 6.7848 6.7848 7.6090 7.6090 7.8425 7.8425 8.9350 8.9350 9.7479 9.7479 9.7779 9.7779 10.0173 10.0173 k =-0.1350 0.2925 0.4148 ( 2653 PWs) bands (ev): -8.3601 -8.3601 -5.9794 -5.9794 -4.7468 -4.7468 -4.1233 -4.1233 -3.1935 -3.1935 -1.5359 -1.5359 0.6239 0.6239 1.0794 1.0794 1.5690 1.5690 3.6276 3.6276 3.7642 3.7642 4.3793 4.3793 4.7621 4.7621 5.4499 5.4499 6.0696 6.0696 6.6494 6.6494 6.8346 6.8346 7.6245 7.6245 7.7753 7.7753 8.8231 8.8231 9.7497 9.7497 9.7691 9.7691 10.0087 10.0087 k =-0.1404 0.3042 0.4314 ( 2661 PWs) bands (ev): -8.3044 -8.3044 -5.9589 -5.9589 -4.6975 -4.6975 -4.1370 -4.1370 -3.3064 -3.3064 -1.5325 -1.5325 0.6687 0.6687 1.1346 1.1346 1.5210 1.5210 3.4963 3.4963 3.6888 3.6888 4.3815 4.3815 4.8446 4.8446 5.3181 5.3181 6.0412 6.0412 6.5741 6.5741 6.8870 6.8870 7.6436 7.6436 7.7097 7.7097 8.7104 8.7104 9.7221 9.7221 9.7864 9.7864 10.0056 10.0056 k =-0.1458 0.3159 0.4480 ( 2663 PWs) bands (ev): -8.2468 -8.2468 -5.9398 -5.9398 -4.6468 -4.6468 -4.1503 -4.1503 -3.4211 -3.4211 -1.5263 -1.5263 0.7141 0.7141 1.1916 1.1916 1.4780 1.4780 3.3667 3.3667 3.6116 3.6116 4.3829 4.3829 4.9264 4.9264 5.1889 5.1889 6.0113 6.0113 6.4964 6.4964 6.9418 6.9418 7.6437 7.6437 7.6685 7.6685 8.5972 8.5972 9.6955 9.6955 9.8002 9.8002 10.0079 10.0079 k =-0.1512 0.3276 0.4646 ( 2659 PWs) bands (ev): -8.1874 -8.1874 -5.9227 -5.9227 -4.5948 -4.5948 -4.1627 -4.1627 -3.5370 -3.5370 -1.5179 -1.5179 0.7600 0.7600 1.2503 1.2503 1.4399 1.4399 3.2389 3.2389 3.5327 3.5327 4.3838 4.3838 5.0073 5.0073 5.0629 5.0629 5.9796 5.9796 6.4166 6.4166 6.9986 6.9986 7.5830 7.5830 7.6936 7.6936 8.4838 8.4838 9.6705 9.6705 9.8108 9.8108 10.0152 10.0152 k =-0.1566 0.3393 0.4811 ( 2661 PWs) bands (ev): -8.1264 -8.1264 -5.9079 -5.9079 -4.5418 -4.5418 -4.1739 -4.1739 -3.6536 -3.6536 -1.5076 -1.5076 0.8061 0.8061 1.3105 1.3105 1.4070 1.4070 3.1133 3.1133 3.4528 3.4528 4.3839 4.3839 4.9395 4.9395 5.0881 5.0881 5.9460 5.9460 6.3351 6.3351 7.0572 7.0572 7.5237 7.5237 7.7229 7.7229 8.3706 8.3706 9.6475 9.6475 9.8188 9.8188 10.0272 10.0272 k =-0.1620 0.3510 0.4977 ( 2665 PWs) bands (ev): -8.0637 -8.0637 -5.8959 -5.8959 -4.4879 -4.4879 -4.1835 -4.1835 -3.7702 -3.7702 -1.4958 -1.4958 0.8521 0.8521 1.3684 1.3684 1.3829 1.3829 2.9901 2.9901 3.3721 3.3721 4.3834 4.3834 4.8204 4.8204 5.1673 5.1673 5.9106 5.9106 6.2523 6.2523 7.1173 7.1173 7.4671 7.4671 7.7551 7.7551 8.2580 8.2580 9.6268 9.6268 9.8246 9.8246 10.0436 10.0436 k =-0.1674 0.3627 0.5143 ( 2661 PWs) bands (ev): -7.9995 -7.9995 -5.8870 -5.8870 -4.4334 -4.4334 -4.1910 -4.1910 -3.8863 -3.8863 -1.4828 -1.4828 0.8978 0.8978 1.3545 1.3545 1.4370 1.4370 2.8695 2.8695 3.2910 3.2910 4.3822 4.3822 4.7054 4.7054 5.2452 5.2452 5.8736 5.8736 6.1687 6.1687 7.1783 7.1783 7.4136 7.4136 7.7900 7.7900 8.1467 8.1467 9.6086 9.6086 9.8288 9.8288 10.0641 10.0641 k =-0.1728 0.3744 0.5309 ( 2665 PWs) bands (ev): -7.9339 -7.9339 -5.8818 -5.8818 -4.3788 -4.3788 -4.1961 -4.1961 -4.0010 -4.0010 -1.4689 -1.4689 0.9427 0.9427 1.3362 1.3362 1.5016 1.5016 2.7517 2.7517 3.2101 3.2101 4.3804 4.3804 4.5949 4.5949 5.3210 5.3210 5.8352 5.8352 6.0846 6.0846 7.2395 7.2395 7.3635 7.3635 7.8270 7.8270 8.0380 8.0380 9.5931 9.5931 9.8319 9.8319 10.0885 10.0885 k =-0.1782 0.3861 0.5475 ( 2667 PWs) bands (ev): -7.8669 -7.8669 -5.8805 -5.8805 -4.3265 -4.3265 -4.1984 -4.1984 -4.1119 -4.1119 -1.4542 -1.4542 0.9865 0.9865 1.3223 1.3223 1.5677 1.5677 2.6369 2.6369 3.1295 3.1295 4.3781 4.3781 4.4894 4.4894 5.3938 5.3938 5.7965 5.7965 6.0004 6.0004 7.2991 7.2991 7.3172 7.3172 7.8633 7.8633 7.9361 7.9361 9.5804 9.5804 9.8344 9.8344 10.1164 10.1164 k =-0.1836 0.3978 0.5641 ( 2663 PWs) bands (ev): -7.7988 -7.7988 -5.8834 -5.8834 -4.2953 -4.2953 -4.2000 -4.2000 -4.1974 -4.1974 -1.4390 -1.4390 1.0286 1.0286 1.3129 1.3129 1.6349 1.6349 2.5254 2.5254 3.0497 3.0497 4.3751 4.3751 4.3895 4.3895 5.4608 5.4608 5.7600 5.7600 5.9167 5.9167 7.2749 7.2749 7.3535 7.3535 7.8283 7.8283 7.9154 7.9154 9.5703 9.5703 9.8367 9.8367 10.1476 10.1476 k =-0.1890 0.4095 0.5807 ( 2663 PWs) bands (ev): -7.7297 -7.7297 -5.8908 -5.8908 -4.3633 -4.3633 -4.1932 -4.1932 -4.1866 -4.1866 -1.4234 -1.4234 1.0687 1.0687 1.3078 1.3078 1.7031 1.7031 2.4172 2.4172 2.9710 2.9710 4.2954 4.2954 4.3720 4.3720 5.5148 5.5148 5.7325 5.7325 5.8339 5.8339 7.2371 7.2371 7.3929 7.3929 7.7506 7.7506 7.9567 7.9567 9.5630 9.5630 9.8393 9.8393 10.1818 10.1818 k =-0.1944 0.4212 0.5973 ( 2663 PWs) bands (ev): -7.6598 -7.6598 -5.9029 -5.9029 -4.4679 -4.4679 -4.1852 -4.1852 -4.1347 -4.1347 -1.4075 -1.4075 1.1060 1.1060 1.3068 1.3068 1.7721 1.7721 2.3126 2.3126 2.8936 2.8936 4.2080 4.2080 4.3684 4.3684 5.5391 5.5391 5.7265 5.7265 5.7569 5.7569 7.2042 7.2042 7.3963 7.3963 7.7095 7.7095 8.0018 8.0018 9.5584 9.5584 9.8426 9.8426 10.2186 10.2186 k =-0.1998 0.4329 0.6139 ( 2663 PWs) bands (ev): -7.5893 -7.5893 -5.9197 -5.9197 -4.5748 -4.5748 -4.1735 -4.1735 -4.0782 -4.0782 -1.3915 -1.3915 1.1400 1.1400 1.3097 1.3097 1.8417 1.8417 2.2118 2.2118 2.8179 2.8179 4.1279 4.1279 4.3647 4.3647 5.5239 5.5239 5.6681 5.6681 5.7694 5.7694 7.1766 7.1766 7.3489 7.3489 7.7215 7.7215 8.0488 8.0488 9.5561 9.5561 9.8469 9.8469 10.2580 10.2580 k =-0.2052 0.4446 0.6305 ( 2657 PWs) bands (ev): -7.5185 -7.5185 -5.9411 -5.9411 -4.6803 -4.6803 -4.1581 -4.1581 -4.0207 -4.0207 -1.3754 -1.3754 1.1701 1.1701 1.3162 1.3162 1.9116 1.9116 2.1150 2.1150 2.7442 2.7442 4.0557 4.0557 4.3610 4.3610 5.4849 5.4849 5.5904 5.5904 5.8231 5.8231 7.1546 7.1546 7.2682 7.2682 7.7696 7.7696 8.0971 8.0971 9.5562 9.5562 9.8526 9.8526 10.2996 10.2996 k =-0.2106 0.4563 0.6471 ( 2659 PWs) bands (ev): -7.4478 -7.4478 -5.9672 -5.9672 -4.7833 -4.7833 -4.1390 -4.1390 -3.9628 -3.9628 -1.3593 -1.3593 1.1955 1.1955 1.3261 1.3261 1.9814 1.9814 2.0226 2.0226 2.6727 2.6727 3.9920 3.9920 4.3575 4.3575 5.4354 5.4354 5.5144 5.5144 5.8839 5.8839 7.1384 7.1384 7.1738 7.1738 7.8342 7.8342 8.1466 8.1466 9.5582 9.5582 9.8597 9.8597 10.3431 10.3431 k =-0.2160 0.4681 0.6636 ( 2663 PWs) bands (ev): -7.3775 -7.3775 -5.9976 -5.9976 -4.8831 -4.8831 -4.1164 -4.1164 -3.9052 -3.9052 -1.3433 -1.3433 1.2157 1.2157 1.3390 1.3390 1.9340 1.9340 2.0516 2.0516 2.6037 2.6037 3.9375 3.9375 4.3544 4.3544 5.3804 5.3804 5.4411 5.4411 5.9461 5.9461 7.0740 7.0740 7.1289 7.1289 7.9070 7.9070 8.1971 8.1971 9.5618 9.5618 9.8687 9.8687 10.3883 10.3883 k =-0.2214 0.4798 0.6802 ( 2653 PWs) bands (ev): -7.3082 -7.3082 -6.0320 -6.0320 -4.9792 -4.9792 -4.0906 -4.0906 -3.8481 -3.8481 -1.3275 -1.3275 1.2299 1.2299 1.3547 1.3547 1.8504 1.8504 2.1208 2.1208 2.5373 2.5373 3.8928 3.8928 4.3519 4.3519 5.3221 5.3221 5.3712 5.3712 6.0074 6.0074 6.9725 6.9725 7.1261 7.1261 7.9845 7.9845 8.2482 8.2482 9.5670 9.5670 9.8795 9.8795 10.4351 10.4351 k =-0.2268 0.4915 0.6968 ( 2643 PWs) bands (ev): -7.2405 -7.2405 -6.0703 -6.0703 -5.0707 -5.0707 -4.0618 -4.0618 -3.7917 -3.7917 -1.3119 -1.3119 1.2377 1.2377 1.3730 1.3730 1.7717 1.7717 2.1889 2.1889 2.4739 2.4739 3.8584 3.8584 4.3503 4.3503 5.2615 5.2615 5.3049 5.3049 6.0670 6.0670 6.8709 6.8709 7.1303 7.1303 8.0654 8.0654 8.3000 8.3000 9.5731 9.5731 9.8924 9.8924 10.4831 10.4831 k =-0.2322 0.5032 0.7134 ( 2647 PWs) bands (ev): -7.1753 -7.1753 -6.1121 -6.1121 -5.1569 -5.1569 -4.0304 -4.0304 -3.7363 -3.7363 -1.2965 -1.2965 1.2386 1.2386 1.3933 1.3933 1.6980 1.6980 2.2556 2.2556 2.4136 2.4136 3.8345 3.8345 4.3499 4.3499 5.1995 5.1995 5.2428 5.2428 6.1241 6.1241 6.7699 6.7699 7.1416 7.1416 8.1487 8.1487 8.3520 8.3520 9.5799 9.5799 9.9074 9.9074 10.5320 10.5320 k =-0.2376 0.5149 0.7300 ( 2649 PWs) bands (ev): -7.1135 -7.1135 -6.1569 -6.1569 -5.2368 -5.2368 -3.9967 -3.9967 -3.6822 -3.6822 -1.2814 -1.2814 1.2325 1.2325 1.4154 1.4154 1.6296 1.6296 2.3202 2.3202 2.3567 2.3567 3.8215 3.8215 4.3510 4.3510 5.1363 5.1363 5.1855 5.1855 6.1785 6.1785 6.6700 6.6700 7.1603 7.1603 8.2340 8.2340 8.4043 8.4043 9.5868 9.5868 9.9245 9.9245 10.5818 10.5818 k =-0.2430 0.5266 0.7466 ( 2649 PWs) bands (ev): -7.0564 -7.0564 -6.2044 -6.2044 -5.3091 -5.3091 -3.9611 -3.9611 -3.6295 -3.6295 -1.2666 -1.2666 1.2193 1.2193 1.4391 1.4391 1.5667 1.5667 2.3033 2.3033 2.3822 2.3822 3.8192 3.8192 4.3539 4.3539 5.0722 5.0722 5.1338 5.1338 6.2302 6.2302 6.5717 6.5717 7.1862 7.1862 8.3210 8.3210 8.4566 8.4566 9.5936 9.5936 9.9436 9.9436 10.6321 10.6321 k =-0.2484 0.5383 0.7632 ( 2649 PWs) bands (ev): -7.0053 -7.0053 -6.2544 -6.2544 -5.3725 -5.3725 -3.9240 -3.9240 -3.5785 -3.5785 -1.2522 -1.2522 1.1992 1.1992 1.4637 1.4637 1.5098 1.5098 2.2536 2.2536 2.4408 2.4408 3.8274 3.8274 4.3590 4.3590 5.0072 5.0072 5.0887 5.0887 6.2793 6.2793 6.4754 6.4754 7.2189 7.2189 8.4092 8.4092 8.5091 8.5091 9.5998 9.5998 9.9647 9.9647 10.6827 10.6827 k =-0.2538 0.5500 0.7798 ( 2657 PWs) bands (ev): -6.9619 -6.9619 -6.3064 -6.3064 -5.4254 -5.4254 -3.8857 -3.8857 -3.5294 -3.5294 -1.2381 -1.2381 1.1724 1.1724 1.4578 1.4578 1.4904 1.4904 2.2076 2.2076 2.4954 2.4954 3.8455 3.8455 4.3665 4.3665 4.9417 4.9417 5.0509 5.0509 6.3254 6.3254 6.3818 6.3818 7.2581 7.2581 8.4977 8.4977 8.5622 8.5622 9.6048 9.6048 9.9876 9.9876 10.7334 10.7334 k =-0.2592 0.5617 0.7964 ( 2657 PWs) bands (ev): -6.9280 -6.9280 -6.3601 -6.3601 -5.4661 -5.4661 -3.8465 -3.8465 -3.4825 -3.4825 -1.2243 -1.2243 1.1395 1.1395 1.4133 1.4133 1.5165 1.5165 2.1656 2.1656 2.5453 2.5453 3.8731 3.8731 4.3770 4.3770 4.8757 4.8757 5.0214 5.0214 6.2878 6.2878 6.3727 6.3727 7.3032 7.3032 8.5824 8.5824 8.6199 8.6199 9.6081 9.6081 10.0120 10.0120 10.7839 10.7839 k =-0.2646 0.5734 0.8130 ( 2655 PWs) bands (ev): -6.9052 -6.9052 -6.4152 -6.4152 -5.4930 -5.4930 -3.8069 -3.8069 -3.4378 -3.4378 -1.2110 -1.2110 1.1011 1.1011 1.3749 1.3749 1.5433 1.5433 2.1275 2.1275 2.5896 2.5896 3.9091 3.9091 4.3907 4.3907 4.8095 4.8095 5.0008 5.0008 6.1989 6.1989 6.4164 6.4164 7.3535 7.3535 8.6492 8.6492 8.6960 8.6960 9.6094 9.6094 10.0376 10.0376 10.8339 10.8339 k =-0.2700 0.5851 0.8296 ( 2654 PWs) bands (ev): -6.8945 -6.8945 -6.4714 -6.4714 -5.5052 -5.5052 -3.7672 -3.7672 -3.3956 -3.3956 -1.1981 -1.1981 1.0579 1.0579 1.3432 1.3432 1.5705 1.5705 2.0934 2.0934 2.6278 2.6278 3.9528 3.9528 4.4080 4.4080 4.7433 4.7433 4.9898 4.9898 6.1128 6.1128 6.4598 6.4598 7.4084 7.4084 8.7022 8.7022 8.7861 8.7861 9.6081 9.6081 10.0639 10.0639 10.8833 10.8833 k =-0.2700 0.5851 0.8296 ( 2654 PWs) bands (ev): -6.8945 -6.8945 -6.4714 -6.4714 -5.5052 -5.5052 -3.7672 -3.7672 -3.3956 -3.3956 -1.1981 -1.1981 1.0579 1.0579 1.3432 1.3432 1.5705 1.5705 2.0934 2.0934 2.6278 2.6278 3.9528 3.9528 4.4080 4.4080 4.7433 4.7433 4.9898 4.9898 6.1128 6.1128 6.4598 6.4598 7.4084 7.4084 8.7022 8.7022 8.7861 8.7861 9.6081 9.6081 10.0639 10.0639 10.8833 10.8833 k =-0.2633 0.5704 0.8421 ( 2654 PWs) bands (ev): -6.8939 -6.8939 -6.4709 -6.4709 -5.5044 -5.5044 -3.7669 -3.7669 -3.3964 -3.3964 -1.2022 -1.2022 1.0395 1.0395 1.3683 1.3683 1.5563 1.5563 2.0906 2.0906 2.6458 2.6458 3.9482 3.9482 4.3911 4.3911 4.7332 4.7332 5.0091 5.0091 6.1227 6.1227 6.4658 6.4658 7.4052 7.4052 8.6974 8.6974 8.7879 8.7879 9.6130 9.6130 10.0603 10.0603 10.8906 10.8906 k =-0.2565 0.5557 0.8547 ( 2650 PWs) bands (ev): -6.8923 -6.8923 -6.4693 -6.4693 -5.5021 -5.5021 -3.7660 -3.7660 -3.3990 -3.3990 -1.2146 -1.2146 0.9972 0.9972 1.4305 1.4305 1.5160 1.5160 2.0835 2.0835 2.6964 2.6964 3.9344 3.9344 4.3463 4.3463 4.7040 4.7040 5.0614 5.0614 6.1513 6.1513 6.4835 6.4835 7.3962 7.3962 8.6829 8.6829 8.7937 8.7937 9.6277 9.6277 10.0501 10.0501 10.9114 10.9114 k =-0.2497 0.5410 0.8672 ( 2650 PWs) bands (ev): -6.8896 -6.8896 -6.4666 -6.4666 -5.4982 -5.4982 -3.7645 -3.7645 -3.4032 -3.4032 -1.2350 -1.2350 0.9479 0.9479 1.4543 1.4543 1.5131 1.5131 2.0742 2.0742 2.7724 2.7724 3.9118 3.9118 4.2843 4.2843 4.6584 4.6584 5.1360 5.1360 6.1956 6.1956 6.5116 6.5116 7.3830 7.3830 8.6585 8.6585 8.8033 8.8033 9.6519 9.6519 10.0349 10.0349 10.9435 10.9435 k =-0.2429 0.5264 0.8798 ( 2647 PWs) bands (ev): -6.8859 -6.8859 -6.4628 -6.4628 -5.4927 -5.4927 -3.7624 -3.7624 -3.4092 -3.4092 -1.2631 -1.2631 0.8995 0.8995 1.3778 1.3778 1.6071 1.6071 2.0640 2.0640 2.8664 2.8664 3.8810 3.8810 4.2139 4.2139 4.5998 4.5998 5.2241 5.2241 6.2513 6.2513 6.5485 6.5485 7.3686 7.3686 8.6246 8.6246 8.8163 8.8163 9.6853 9.6853 10.0169 10.0169 10.9834 10.9834 k =-0.2362 0.5117 0.8923 ( 2649 PWs) bands (ev): -6.8811 -6.8811 -6.4580 -6.4580 -5.4857 -5.4857 -3.7598 -3.7598 -3.4168 -3.4168 -1.2983 -1.2983 0.8551 0.8551 1.2910 1.2910 1.7092 1.7092 2.0530 2.0530 2.9730 2.9730 3.8429 3.8429 4.1404 4.1404 4.5319 4.5319 5.3204 5.3204 6.3130 6.3130 6.5923 6.5923 7.3569 7.3569 8.5817 8.5817 8.8320 8.8320 9.7272 9.7272 9.9978 9.9978 11.0274 11.0274 k =-0.2294 0.4970 0.9049 ( 2644 PWs) bands (ev): -6.8754 -6.8754 -6.4522 -6.4522 -5.4772 -5.4772 -3.7566 -3.7566 -3.4262 -3.4262 -1.3401 -1.3401 0.8161 0.8161 1.1978 1.1978 1.8174 1.8174 2.0411 2.0411 3.0885 3.0885 3.7981 3.7981 4.0672 4.0672 4.4579 4.4579 5.4218 5.4218 6.3739 6.3739 6.6423 6.6423 7.3528 7.3528 8.5309 8.5309 8.8498 8.8498 9.7769 9.7769 9.9790 9.9790 11.0720 11.0720 k =-0.2226 0.4823 0.9175 ( 2644 PWs) bands (ev): -6.8687 -6.8687 -6.4454 -6.4454 -5.4671 -5.4671 -3.7529 -3.7529 -3.4372 -3.4372 -1.3879 -1.3879 0.7828 0.7828 1.1008 1.1008 1.9304 1.9304 2.0279 2.0279 3.2103 3.2103 3.7473 3.7473 3.9962 3.9962 4.3806 4.3806 5.5262 5.5262 6.4244 6.4244 6.7002 6.7002 7.3614 7.3614 8.4733 8.4733 8.8692 8.8692 9.8336 9.8336 9.9615 9.9615 11.1141 11.1141 k =-0.2158 0.4676 0.9300 ( 2648 PWs) bands (ev): -6.8610 -6.8610 -6.4375 -6.4375 -5.4556 -5.4556 -3.7487 -3.7487 -3.4499 -3.4499 -1.4409 -1.4409 0.7553 0.7553 1.0018 1.0018 2.0113 2.0113 2.0490 2.0490 3.3366 3.3366 3.6913 3.6913 3.9291 3.9291 4.3023 4.3023 5.6325 5.6325 6.4547 6.4547 6.7701 6.7701 7.3866 7.3866 8.4098 8.4098 8.8899 8.8899 9.8958 9.8958 9.9463 9.9463 11.1512 11.1512 k =-0.2091 0.4530 0.9426 ( 2652 PWs) bands (ev): -6.8525 -6.8525 -6.4287 -6.4287 -5.4425 -5.4425 -3.7441 -3.7441 -3.4642 -3.4642 -1.4983 -1.4983 0.7335 0.7335 0.9021 0.9021 1.9949 1.9949 2.1686 2.1686 3.4657 3.4657 3.6307 3.6307 3.8673 3.8673 4.2250 4.2250 5.7394 5.7394 6.4598 6.4598 6.8539 6.8539 7.4300 7.4300 8.3418 8.3418 8.9118 8.9118 9.9275 9.9275 9.9681 9.9681 11.1819 11.1819 k =-0.2023 0.4383 0.9551 ( 2652 PWs) bands (ev): -6.8431 -6.8431 -6.4190 -6.4190 -5.4280 -5.4280 -3.7391 -3.7391 -3.4802 -3.4802 -1.5596 -1.5596 0.7170 0.7170 0.8027 0.8027 1.9754 1.9754 2.2911 2.2911 3.5660 3.5660 3.5942 3.5942 3.8142 3.8142 4.1503 4.1503 5.8462 5.8462 6.4415 6.4415 6.9499 6.9499 7.4899 7.4899 8.2706 8.2706 8.9350 8.9350 9.9149 9.9149 10.0395 10.0395 11.2056 11.2056 k =-0.1955 0.4236 0.9677 ( 2648 PWs) bands (ev): -6.8329 -6.8329 -6.4084 -6.4084 -5.4121 -5.4121 -3.7338 -3.7338 -3.4977 -3.4977 -1.6238 -1.6238 0.7015 0.7015 0.7082 0.7082 1.9532 1.9532 2.4149 2.4149 3.4984 3.4984 3.6960 3.6960 3.7956 3.7956 4.0793 4.0793 5.9520 5.9520 6.4046 6.4046 7.0549 7.0549 7.5631 7.5631 8.1974 8.1974 8.9598 8.9598 9.9015 9.9015 10.1158 10.1158 11.1700 11.1700 k =-0.1887 0.4089 0.9802 ( 2644 PWs) bands (ev): -6.8220 -6.8220 -6.3970 -6.3970 -5.3947 -5.3947 -3.7281 -3.7281 -3.5168 -3.5168 -1.6904 -1.6904 0.6064 0.6064 0.6994 0.6994 1.9282 1.9282 2.5384 2.5384 3.4289 3.4289 3.6894 3.6894 3.8932 3.8932 4.0133 4.0133 6.0558 6.0558 6.3543 6.3543 7.1665 7.1665 7.6459 7.6459 8.1235 8.1235 8.9863 8.9863 9.8877 9.8877 10.1950 10.1950 11.1100 11.1100 k =-0.1820 0.3943 0.9928 ( 2642 PWs) bands (ev): -6.8105 -6.8105 -6.3847 -6.3847 -5.3760 -5.3760 -3.7222 -3.7222 -3.5374 -3.5374 -1.7588 -1.7588 0.5107 0.5107 0.6972 0.6972 1.9006 1.9006 2.6590 2.6590 3.3603 3.3603 3.6548 3.6548 3.9526 3.9526 4.0266 4.0266 6.1564 6.1564 6.2946 6.2946 7.2828 7.2828 7.7349 7.7349 8.0505 8.0505 9.0148 9.0148 9.8729 9.8729 10.2762 10.2762 11.0466 11.0466 k =-0.1752 0.3796 1.0053 ( 2638 PWs) bands (ev): -6.7984 -6.7984 -6.3717 -6.3717 -5.3559 -5.3559 -3.7161 -3.7161 -3.5594 -3.5594 -1.8282 -1.8282 0.4170 0.4170 0.6993 0.6993 1.8702 1.8702 2.7711 2.7711 3.2978 3.2978 3.6227 3.6227 3.8986 3.8986 4.1647 4.1647 6.2236 6.2236 6.2575 6.2575 7.4024 7.4024 7.8272 7.8272 7.9803 7.9803 9.0459 9.0459 9.8563 9.8563 10.3589 10.3589 10.9800 10.9800 k =-0.1684 0.3649 1.0179 ( 2635 PWs) bands (ev): -6.7858 -6.7858 -6.3580 -6.3580 -5.3344 -5.3344 -3.7098 -3.7098 -3.5828 -3.5828 -1.8984 -1.8984 0.3256 0.3256 0.7052 0.7052 1.8374 1.8374 2.8609 2.8609 3.2548 3.2548 3.5959 3.5959 3.8513 3.8513 4.3045 4.3045 6.1552 6.1552 6.3457 6.3457 7.5241 7.5241 7.9067 7.9067 7.9285 7.9285 9.0798 9.0798 9.8373 9.8373 10.4422 10.4422 10.9109 10.9109 k =-0.1617 0.3502 1.0305 ( 2637 PWs) bands (ev): -6.7729 -6.7729 -6.3436 -6.3436 -5.3117 -5.3117 -3.7035 -3.7035 -3.6074 -3.6074 -1.9686 -1.9686 0.2366 0.2366 0.7148 0.7148 1.8023 1.8023 2.9011 2.9011 3.2580 3.2580 3.5750 3.5750 3.8121 3.8121 4.4450 4.4450 6.0811 6.0811 6.4290 6.4290 7.6467 7.6467 7.8531 7.8531 8.0162 8.0162 9.1169 9.1169 9.8153 9.8153 10.5254 10.5254 10.8396 10.8396 k =-0.1549 0.3355 1.0430 ( 2633 PWs) bands (ev): -6.7597 -6.7597 -6.3286 -6.3286 -5.2878 -5.2878 -3.6973 -3.6973 -3.6331 -3.6331 -2.0387 -2.0387 0.1502 0.1502 0.7277 0.7277 1.7653 1.7653 2.8793 2.8793 3.3177 3.3177 3.5601 3.5601 3.7829 3.7829 4.5856 4.5856 6.0050 6.0050 6.5023 6.5023 7.7673 7.7673 7.8048 7.8048 8.1082 8.1082 9.1575 9.1575 9.7898 9.7898 10.6079 10.6079 10.7671 10.7671 k =-0.1481 0.3209 1.0556 ( 2637 PWs) bands (ev): -6.7464 -6.7464 -6.3131 -6.3131 -5.2627 -5.2627 -3.6911 -3.6911 -3.6599 -3.6599 -2.1081 -2.1081 0.0667 0.0667 0.7438 0.7438 1.7268 1.7268 2.8211 2.8211 3.4031 3.4031 3.5509 3.5509 3.7688 3.7688 4.7258 4.7258 5.9280 5.9280 6.5627 6.5627 7.7639 7.7639 7.8905 7.8905 8.1990 8.1990 9.2015 9.2015 9.7603 9.7603 10.6806 10.6806 10.7023 10.7023 k =-0.1413 0.3062 1.0681 ( 2638 PWs) bands (ev): -6.7330 -6.7330 -6.2972 -6.2972 -5.2364 -5.2364 -3.6875 -3.6875 -3.6850 -3.6850 -2.1765 -2.1765 -0.0139 -0.0139 0.7630 0.7630 1.6873 1.6873 2.7480 2.7480 3.4813 3.4813 3.5474 3.5474 3.7808 3.7808 4.8653 4.8653 5.8509 5.8509 6.6071 6.6071 7.7418 7.7418 8.0058 8.0058 8.2892 8.2892 9.2486 9.2486 9.7267 9.7267 10.6181 10.6181 10.7711 10.7711 k =-0.1346 0.2915 1.0807 ( 2634 PWs) bands (ev): -6.7197 -6.7197 -6.2809 -6.2809 -5.2091 -5.2091 -3.7158 -3.7158 -3.6792 -3.6792 -2.2437 -2.2437 -0.0914 -0.0914 0.7849 0.7849 1.6472 1.6472 2.6690 2.6690 3.5281 3.5281 3.5501 3.5501 3.8328 3.8328 5.0036 5.0036 5.7746 5.7746 6.6332 6.6332 7.7377 7.7377 8.1132 8.1132 8.3812 8.3812 9.2978 9.2978 9.6889 9.6889 10.5460 10.5460 10.8485 10.8485 k =-0.1278 0.2768 1.0932 ( 2643 PWs) bands (ev): -6.7067 -6.7067 -6.2643 -6.2643 -5.1807 -5.1807 -3.7447 -3.7447 -3.6737 -3.6737 -2.3095 -2.3095 -0.1657 -0.1657 0.8095 0.8095 1.6070 1.6070 2.5877 2.5877 3.5434 3.5434 3.5586 3.5586 3.9210 3.9210 5.1402 5.1402 5.6997 5.6997 6.6403 6.6403 7.7525 7.7525 8.2084 8.2084 8.4780 8.4780 9.3474 9.3474 9.6467 9.6467 10.4764 10.4764 10.9230 10.9230 k =-0.1210 0.2622 1.1058 ( 2645 PWs) bands (ev): -6.6940 -6.6940 -6.2475 -6.2475 -5.1514 -5.1514 -3.7740 -3.7740 -3.6685 -3.6685 -2.3734 -2.3734 -0.2367 -0.2367 0.8366 0.8366 1.5671 1.5671 2.5061 2.5061 3.5473 3.5473 3.5676 3.5676 4.0276 4.0276 5.2746 5.2746 5.6271 5.6271 6.6295 6.6295 7.7855 7.7855 8.2887 8.2887 8.5822 8.5822 9.3950 9.3950 9.6004 9.6004 10.4117 10.4117 10.9940 10.9940 k =-0.1142 0.2475 1.1184 ( 2647 PWs) bands (ev): -6.6818 -6.6818 -6.2305 -6.2305 -5.1213 -5.1213 -3.8035 -3.8035 -3.6638 -3.6638 -2.4354 -2.4354 -0.3041 -0.3041 0.8659 0.8659 1.5281 1.5281 2.4253 2.4253 3.5464 3.5464 3.5803 3.5803 4.1401 4.1401 5.4063 5.4063 5.5577 5.5577 6.6036 6.6036 7.8338 7.8338 8.3541 8.3541 8.6934 8.6934 9.4371 9.4371 9.5500 9.5500 10.3547 10.3547 11.0607 11.0607 k =-0.1075 0.2328 1.1309 ( 2641 PWs) bands (ev): -6.6703 -6.6703 -6.2135 -6.2135 -5.0903 -5.0903 -3.8330 -3.8330 -3.6597 -3.6597 -2.4952 -2.4952 -0.3680 -0.3680 0.8974 0.8974 1.4903 1.4903 2.3460 2.3460 3.5444 3.5444 3.5971 3.5971 4.2520 4.2520 5.4929 5.4929 5.5347 5.5347 6.5663 6.5663 7.8942 7.8942 8.4066 8.4066 8.8097 8.8097 9.4690 9.4690 9.4963 9.4963 10.3089 10.3089 11.1223 11.1223 k =-0.1007 0.2181 1.1435 ( 2643 PWs) bands (ev): -6.6597 -6.6597 -6.1965 -6.1965 -5.0587 -5.0587 -3.8623 -3.8623 -3.6561 -3.6561 -2.5526 -2.5526 -0.4282 -0.4282 0.9307 0.9307 1.4542 1.4542 2.2689 2.2689 3.5435 3.5435 3.6171 3.6171 4.3589 4.3589 5.4344 5.4344 5.6589 5.6589 6.5208 6.5208 7.9635 7.9635 8.4489 8.4489 8.9286 8.9286 9.4380 9.4380 9.4877 9.4877 10.2780 10.2780 11.1372 11.1372 k =-0.0939 0.2035 1.1560 ( 2647 PWs) bands (ev): -6.6500 -6.6500 -6.1796 -6.1796 -5.0266 -5.0266 -3.8912 -3.8912 -3.6531 -3.6531 -2.6074 -2.6074 -0.4847 -0.4847 0.9655 0.9655 1.4201 1.4201 2.1945 2.1945 3.5446 3.5446 3.6398 3.6398 4.4568 4.4568 5.3846 5.3846 5.7783 5.7783 6.4700 6.4700 8.0389 8.0389 8.4833 8.4833 9.0480 9.0480 9.3776 9.3776 9.4879 9.4879 10.2644 10.2644 11.0780 11.0780 k =-0.0871 0.1888 1.1686 ( 2651 PWs) bands (ev): -6.6415 -6.6415 -6.1630 -6.1630 -4.9940 -4.9940 -3.9195 -3.9195 -3.6509 -3.6509 -2.6594 -2.6594 -0.5373 -0.5373 1.0014 1.0014 1.3883 1.3883 2.1236 2.1236 3.5480 3.5480 3.6647 3.6647 4.5412 4.5412 5.3470 5.3470 5.8917 5.8917 6.4165 6.4165 8.1182 8.1182 8.5113 8.5113 9.1661 9.1661 9.3150 9.3150 9.4702 9.4702 10.2678 10.2678 11.0135 11.0135 k =-0.0804 0.1741 1.1811 ( 2645 PWs) bands (ev): -6.6342 -6.6342 -6.1466 -6.1466 -4.9611 -4.9611 -3.9471 -3.9471 -3.6495 -3.6495 -2.7084 -2.7084 -0.5859 -0.5859 1.0380 1.0380 1.3592 1.3592 2.0568 2.0568 3.5537 3.5537 3.6913 3.6913 4.6070 4.6070 5.3257 5.3257 5.9980 5.9980 6.3623 6.3623 8.1995 8.1995 8.5343 8.5343 9.2456 9.2456 9.2857 9.2857 9.4383 9.4383 10.2851 10.2851 10.9466 10.9466 k =-0.0736 0.1594 1.1937 ( 2644 PWs) bands (ev): -6.6283 -6.6283 -6.1307 -6.1307 -4.9281 -4.9281 -3.9738 -3.9738 -3.6488 -3.6488 -2.7542 -2.7542 -0.6305 -0.6305 1.0744 1.0744 1.3330 1.3330 1.9950 1.9950 3.5617 3.5617 3.7192 3.7192 4.6498 4.6498 5.3242 5.3242 6.0948 6.0948 6.3099 6.3099 8.2811 8.2811 8.5534 8.5534 9.1823 9.1823 9.3697 9.3697 9.4206 9.4206 10.3114 10.3114 10.8797 10.8797 k =-0.0668 0.1447 1.2063 ( 2644 PWs) bands (ev): -6.6240 -6.6240 -6.1152 -6.1152 -4.8952 -4.8952 -3.9993 -3.9993 -3.6490 -3.6490 -2.7965 -2.7965 -0.6709 -0.6709 1.1097 1.1097 1.3099 1.3099 1.9393 1.9393 3.5716 3.5716 3.7480 3.7480 4.6687 4.6687 5.3427 5.3427 6.1728 6.1728 6.2689 6.2689 8.3613 8.3613 8.5693 8.5693 9.1168 9.1168 9.3334 9.3334 9.5153 9.5153 10.3418 10.3418 10.8154 10.8154 k =-0.0600 0.1301 1.2188 ( 2646 PWs) bands (ev): -6.6214 -6.6214 -6.1003 -6.1003 -4.8626 -4.8626 -4.0235 -4.0235 -3.6501 -3.6501 -2.8351 -2.8351 -0.7072 -0.7072 1.1424 1.1424 1.2902 1.2902 1.8912 1.8912 3.5830 3.5830 3.7772 3.7772 4.6670 4.6670 5.3767 5.3767 6.1793 6.1793 6.2916 6.2916 8.4372 8.4372 8.5829 8.5829 9.0537 9.0537 9.2800 9.2800 9.6196 9.6196 10.3725 10.3725 10.7554 10.7554 k =-0.0533 0.1154 1.2314 ( 2648 PWs) bands (ev): -6.6205 -6.6205 -6.0861 -6.0861 -4.8307 -4.8307 -4.0463 -4.0463 -3.6521 -3.6521 -2.8697 -2.8697 -0.7391 -0.7391 1.1709 1.1709 1.2740 1.2740 1.8526 1.8526 3.5955 3.5955 3.8063 3.8063 4.6512 4.6512 5.4193 5.4193 6.1387 6.1387 6.3533 6.3533 8.5041 8.5041 8.5947 8.5947 8.9979 8.9979 9.2262 9.2262 9.7194 9.7194 10.4003 10.4003 10.7018 10.7018 k =-0.0533 0.1154 1.2314 ( 2648 PWs) bands (ev): -6.6205 -6.6205 -6.0861 -6.0861 -4.8307 -4.8307 -4.0463 -4.0463 -3.6521 -3.6521 -2.8697 -2.8697 -0.7391 -0.7391 1.1709 1.1709 1.2740 1.2740 1.8526 1.8526 3.5955 3.5955 3.8063 3.8063 4.6512 4.6512 5.4193 5.4193 6.1387 6.1387 6.3533 6.3533 8.5041 8.5041 8.5947 8.5947 8.9979 8.9979 9.2262 9.2262 9.7194 9.7194 10.4003 10.4003 10.7018 10.7018 k =-0.0457 0.0989 1.2314 ( 2648 PWs) bands (ev): -6.6125 -6.6125 -6.0672 -6.0672 -4.8053 -4.8053 -4.0589 -4.0589 -3.6499 -3.6499 -2.9134 -2.9134 -0.7776 -0.7776 1.1829 1.1829 1.2573 1.2573 1.8418 1.8418 3.6022 3.6022 3.8457 3.8457 4.6323 4.6323 5.4372 5.4372 6.0831 6.0831 6.3941 6.3941 8.5204 8.5204 8.6026 8.6026 8.9830 8.9830 9.1960 9.1960 9.8129 9.8129 10.4131 10.4131 10.6770 10.6770 k =-0.0380 0.0824 1.2314 ( 2648 PWs) bands (ev): -6.6060 -6.6060 -6.0510 -6.0510 -4.7818 -4.7818 -4.0701 -4.0701 -3.6478 -3.6478 -2.9517 -2.9517 -0.8107 -0.8107 1.1933 1.1933 1.2433 1.2433 1.8325 1.8325 3.6098 3.6098 3.8812 3.8812 4.6093 4.6093 5.4586 5.4586 6.0337 6.0337 6.4293 6.4293 8.5351 8.5351 8.6105 8.6105 8.9695 8.9695 9.1670 9.1670 9.8992 9.8992 10.4232 10.4232 10.6554 10.6554 k =-0.0304 0.0659 1.2314 ( 2651 PWs) bands (ev): -6.6008 -6.6008 -6.0377 -6.0377 -4.7610 -4.7610 -4.0797 -4.0797 -3.6458 -3.6458 -2.9843 -2.9843 -0.8383 -0.8383 1.2018 1.2018 1.2319 1.2319 1.8248 1.8248 3.6176 3.6176 3.9118 3.9118 4.5856 4.5856 5.4801 5.4801 5.9916 5.9916 6.4586 6.4586 8.5478 8.5478 8.6181 8.6181 8.9576 8.9576 9.1405 9.1405 9.9767 9.9767 10.4298 10.4298 10.6374 10.6374 k =-0.0228 0.0495 1.2314 ( 2649 PWs) bands (ev): -6.5968 -6.5968 -6.0272 -6.0272 -4.7438 -4.7438 -4.0874 -4.0874 -3.6442 -3.6442 -3.0103 -3.0103 -0.8600 -0.8600 1.2081 1.2081 1.2234 1.2234 1.8187 1.8187 3.6249 3.6249 3.9367 3.9367 4.5643 4.5643 5.4991 5.4991 5.9577 5.9577 6.4818 6.4818 8.5581 8.5581 8.6250 8.6250 8.9478 8.9478 9.1181 9.1181 10.0431 10.0431 10.4324 10.4324 10.6231 10.6231 k =-0.0152 0.0330 1.2314 ( 2652 PWs) bands (ev): -6.5940 -6.5940 -6.0197 -6.0197 -4.7308 -4.7308 -4.0931 -4.0931 -3.6429 -3.6429 -3.0293 -3.0293 -0.8756 -0.8756 1.2109 1.2109 1.2192 1.2192 1.8144 1.8144 3.6307 3.6307 3.9552 3.9552 4.5475 4.5475 5.5138 5.5138 5.9328 5.9328 6.4984 6.4984 8.5659 8.5659 8.6305 8.6305 8.9405 8.9405 9.1009 9.1009 10.0954 10.0954 10.4315 10.4315 10.6127 10.6127 k =-0.0076 0.0165 1.2314 ( 2648 PWs) bands (ev): -6.5924 -6.5924 -6.0152 -6.0152 -4.7227 -4.7227 -4.0967 -4.0967 -3.6421 -3.6421 -3.0409 -3.0409 -0.8851 -0.8851 1.2098 1.2098 1.2194 1.2194 1.8118 1.8118 3.6346 3.6346 3.9665 3.9665 4.5368 4.5368 5.5232 5.5232 5.9176 5.9176 6.5084 6.5084 8.5707 8.5707 8.6341 8.6341 8.9359 8.9359 9.0901 9.0901 10.1297 10.1297 10.4291 10.4291 10.6065 10.6065 k = 0.0000 0.0000 1.2314 ( 2646 PWs) bands (ev): -6.5918 -6.5918 -6.0137 -6.0137 -4.7200 -4.7200 -4.0978 -4.0978 -3.6418 -3.6418 -3.0448 -3.0448 -0.8882 -0.8882 1.2090 1.2090 1.2200 1.2200 1.8109 1.8109 3.6359 3.6359 3.9703 3.9703 4.5331 4.5331 5.5263 5.5263 5.9124 5.9124 6.5118 6.5118 8.5723 8.5723 8.6353 8.6353 8.9344 8.9344 9.0864 9.0864 10.1417 10.1417 10.4279 10.4279 10.6044 10.6044 k = 0.0000 0.0000 1.2314 ( 2646 PWs) bands (ev): -6.5918 -6.5918 -6.0137 -6.0137 -4.7200 -4.7200 -4.0978 -4.0978 -3.6418 -3.6418 -3.0448 -3.0448 -0.8882 -0.8882 1.2090 1.2090 1.2200 1.2200 1.8109 1.8109 3.6359 3.6359 3.9703 3.9703 4.5331 4.5331 5.5263 5.5263 5.9124 5.9124 6.5118 6.5118 8.5723 8.5723 8.6353 8.6353 8.9344 8.9344 9.0864 9.0864 10.1417 10.1417 10.4279 10.4279 10.6044 10.6044 k = 0.0179 0.0082 1.2314 ( 2648 PWs) bands (ev): -6.5918 -6.5918 -6.0138 -6.0138 -4.7200 -4.7200 -4.0969 -4.0969 -3.6429 -3.6429 -3.0449 -3.0449 -0.8876 -0.8876 1.2009 1.2009 1.2216 1.2216 1.8229 1.8229 3.5983 3.5983 4.0095 4.0095 4.5202 4.5202 5.5264 5.5264 5.9267 5.9267 6.5119 6.5119 8.5583 8.5583 8.5850 8.5850 8.9854 8.9854 9.0903 9.0903 10.1376 10.1376 10.4293 10.4293 10.6136 10.6136 k = 0.0357 0.0165 1.2314 ( 2648 PWs) bands (ev): -6.5917 -6.5917 -6.0142 -6.0142 -4.7200 -4.7200 -4.0942 -4.0942 -3.6459 -3.6459 -3.0450 -3.0450 -0.8856 -0.8856 1.1764 1.1764 1.2286 1.2286 1.8568 1.8568 3.5147 3.5147 4.0976 4.0976 4.4829 4.4829 5.5266 5.5266 5.9679 5.9679 6.5119 6.5119 8.4685 8.4685 8.5329 8.5329 9.0853 9.0853 9.1043 9.1043 10.1263 10.1263 10.4336 10.4336 10.6400 10.6400 k = 0.0536 0.0247 1.2314 ( 2648 PWs) bands (ev): -6.5915 -6.5915 -6.0147 -6.0147 -4.7199 -4.7199 -4.0897 -4.0897 -3.6509 -3.6509 -3.0453 -3.0453 -0.8824 -0.8824 1.1405 1.1405 1.2407 1.2407 1.9076 1.9076 3.4163 3.4163 4.2033 4.2033 4.4256 4.4256 5.5270 5.5270 6.0320 6.0320 6.5121 6.5121 8.3435 8.3435 8.4822 8.4822 9.1129 9.1129 9.2062 9.2062 10.1103 10.1103 10.4409 10.4409 10.6804 10.6804 k = 0.0714 0.0330 1.2314 ( 2650 PWs) bands (ev): -6.5912 -6.5912 -6.0155 -6.0155 -4.7199 -4.7199 -4.0835 -4.0835 -3.6577 -3.6577 -3.0457 -3.0457 -0.8782 -0.8782 1.0984 1.0984 1.2574 1.2574 1.9705 1.9705 3.3146 3.3146 4.3131 4.3131 4.3552 4.3552 5.5275 5.5275 6.1141 6.1141 6.5123 6.5123 8.2136 8.2136 8.4172 8.4172 9.1291 9.1291 9.3211 9.3211 10.0923 10.0923 10.4516 10.4516 10.7314 10.7314 k = 0.0893 0.0412 1.2314 ( 2650 PWs) bands (ev): -6.5909 -6.5909 -6.0164 -6.0164 -4.7199 -4.7199 -4.0759 -4.0759 -3.6661 -3.6661 -3.0462 -3.0462 -0.8731 -0.8731 1.0537 1.0537 1.2781 1.2781 2.0414 2.0414 3.2140 3.2140 4.2687 4.2687 4.4299 4.4299 5.5283 5.5283 6.2097 6.2097 6.5126 6.5126 8.0836 8.0836 8.3402 8.3402 9.1451 9.1451 9.4315 9.4315 10.0742 10.0742 10.4663 10.4663 10.7898 10.7898 k = 0.1071 0.0495 1.2314 ( 2648 PWs) bands (ev): -6.5905 -6.5905 -6.0174 -6.0174 -4.7198 -4.7198 -4.0671 -4.0671 -3.6758 -3.6758 -3.0467 -3.0467 -0.8673 -0.8673 1.0092 1.0092 1.3022 1.3022 2.1174 2.1174 3.1168 3.1168 4.1796 4.1796 4.5416 4.5416 5.5292 5.5292 6.3150 6.3150 6.5130 6.5130 7.9561 7.9561 8.2536 8.2536 9.1600 9.1600 9.5344 9.5344 10.0573 10.0573 10.4853 10.4853 10.8532 10.8532 k = 0.1250 0.0577 1.2314 ( 2646 PWs) bands (ev): -6.5901 -6.5901 -6.0184 -6.0184 -4.7198 -4.7198 -4.0572 -4.0572 -3.6865 -3.6865 -3.0473 -3.0473 -0.8611 -0.8611 0.9669 0.9669 1.3290 1.3290 2.1960 2.1960 3.0247 3.0247 4.0874 4.0874 4.6498 4.6498 5.5305 5.5305 6.4272 6.4272 6.5135 6.5135 7.8333 7.8333 8.1590 8.1590 9.1733 9.1733 9.6276 9.6276 10.0421 10.0421 10.5092 10.5092 10.9191 10.9191 k = 0.1429 0.0659 1.2314 ( 2644 PWs) bands (ev): -6.5897 -6.5897 -6.0195 -6.0195 -4.7197 -4.7197 -4.0469 -4.0469 -3.6978 -3.6978 -3.0478 -3.0478 -0.8548 -0.8548 0.9279 0.9279 1.3573 1.3573 2.2750 2.2750 2.9392 2.9392 3.9952 3.9952 4.7523 4.7523 5.5322 5.5322 6.5140 6.5140 6.5439 6.5439 7.7174 7.7174 8.0583 8.0583 9.1847 9.1847 9.7092 9.7092 10.0290 10.0290 10.5382 10.5382 10.9857 10.9857 k = 0.1607 0.0742 1.2314 ( 2644 PWs) bands (ev): -6.5893 -6.5893 -6.0205 -6.0205 -4.7197 -4.7197 -4.0364 -4.0364 -3.7091 -3.7091 -3.0483 -3.0483 -0.8487 -0.8487 0.8934 0.8934 1.3858 1.3858 2.3521 2.3521 2.8620 2.8620 3.9061 3.9061 4.8465 4.8465 5.5342 5.5342 6.5148 6.5148 6.6631 6.6631 7.6110 7.6110 7.9528 7.9528 9.1942 9.1942 9.7778 9.7778 10.0181 10.0181 10.5719 10.5719 11.0507 11.0507 k = 0.1786 0.0824 1.2314 ( 2646 PWs) bands (ev): -6.5890 -6.5890 -6.0214 -6.0214 -4.7197 -4.7197 -4.0263 -4.0263 -3.7199 -3.7199 -3.0488 -3.0488 -0.8433 -0.8433 0.8642 0.8642 1.4131 1.4131 2.4246 2.4246 2.7947 2.7947 3.8232 3.8232 4.9295 4.9295 5.5366 5.5366 6.5156 6.5156 6.7830 6.7830 7.5169 7.5169 7.8443 7.8443 9.2018 9.2018 9.8328 9.8328 10.0095 10.0095 10.6089 10.6089 11.0878 11.0878 k = 0.1964 0.0907 1.2314 ( 2640 PWs) bands (ev): -6.5887 -6.5887 -6.0221 -6.0221 -4.7196 -4.7196 -4.0173 -4.0173 -3.7295 -3.7295 -3.0492 -3.0492 -0.8386 -0.8386 0.8408 0.8408 1.4373 1.4373 2.4889 2.4889 2.7394 2.7394 3.7506 3.7506 4.9984 4.9984 5.5392 5.5392 6.5164 6.5164 6.9009 6.9009 7.4383 7.4383 7.7354 7.7354 9.2077 9.2077 9.8744 9.8744 10.0030 10.0030 10.6465 10.6465 11.0656 11.0656 k = 0.2143 0.0989 1.2314 ( 2636 PWs) bands (ev): -6.5885 -6.5885 -6.0227 -6.0227 -4.7196 -4.7196 -4.0102 -4.0102 -3.7372 -3.7372 -3.0494 -3.0494 -0.8351 -0.8351 0.8237 0.8237 1.4565 1.4565 2.5405 2.5405 2.6979 2.6979 3.6928 3.6928 5.0502 5.0502 5.5418 5.5418 6.5171 6.5171 7.0121 7.0121 7.3788 7.3788 7.6307 7.6307 9.2118 9.2118 9.9030 9.9030 9.9986 9.9986 10.6803 10.6803 11.0446 11.0446 k = 0.2321 0.1071 1.2314 ( 2636 PWs) bands (ev): -6.5884 -6.5884 -6.0230 -6.0230 -4.7196 -4.7196 -4.0055 -4.0055 -3.7421 -3.7421 -3.0496 -3.0496 -0.8329 -0.8329 0.8134 0.8134 1.4689 1.4689 2.5744 2.5744 2.6722 2.6722 3.6552 3.6552 5.0824 5.0824 5.5437 5.5437 6.5177 6.5177 7.1042 7.1042 7.3413 7.3413 7.5425 7.5425 9.2142 9.2142 9.9196 9.9196 9.9961 9.9961 10.7048 10.7048 11.0287 11.0287 k = 0.2500 0.1154 1.2314 ( 2636 PWs) bands (ev): -6.5883 -6.5883 -6.0231 -6.0231 -4.7196 -4.7196 -4.0039 -4.0039 -3.7438 -3.7438 -3.0497 -3.0497 -0.8322 -0.8322 0.8099 0.8099 1.4732 1.4732 2.5863 2.5863 2.6634 2.6634 3.6420 3.6420 5.0933 5.0933 5.5445 5.5445 6.5179 6.5179 7.1450 7.1450 7.3285 7.3285 7.5031 7.5031 9.2150 9.2150 9.9250 9.9250 9.9953 9.9953 10.7139 10.7139 11.0226 11.0226 k = 0.2500 0.1154 1.2314 ( 2636 PWs) bands (ev): -6.5883 -6.5883 -6.0231 -6.0231 -4.7196 -4.7196 -4.0039 -4.0039 -3.7438 -3.7438 -3.0497 -3.0497 -0.8322 -0.8322 0.8099 0.8099 1.4732 1.4732 2.5863 2.5863 2.6634 2.6634 3.6420 3.6420 5.0933 5.0933 5.5445 5.5445 6.5179 6.5179 7.1450 7.1450 7.3285 7.3285 7.5031 7.5031 9.2150 9.2150 9.9250 9.9250 9.9953 9.9953 10.7139 10.7139 11.0226 11.0226 k = 0.2431 0.1304 1.2185 ( 2632 PWs) bands (ev): -6.5892 -6.5892 -6.0238 -6.0238 -4.7210 -4.7210 -4.0049 -4.0049 -3.7422 -3.7422 -3.0467 -3.0467 -0.8297 -0.8297 0.8124 0.8124 1.4685 1.4685 2.5931 2.5931 2.6635 2.6635 3.6448 3.6448 5.0867 5.0867 5.5418 5.5418 6.5100 6.5100 7.1501 7.1501 7.3145 7.3145 7.5120 7.5120 9.2231 9.2231 9.9211 9.9211 9.9905 9.9905 10.7152 10.7152 11.0147 11.0147 k = 0.2361 0.1455 1.2056 ( 2630 PWs) bands (ev): -6.5919 -6.5919 -6.0259 -6.0259 -4.7252 -4.7252 -4.0078 -4.0078 -3.7372 -3.7372 -3.0377 -3.0377 -0.8222 -0.8222 0.8197 0.8197 1.4551 1.4551 2.6133 2.6133 2.6636 2.6636 3.6534 3.6534 5.0669 5.0669 5.5341 5.5341 6.4864 6.4864 7.1652 7.1652 7.2782 7.2782 7.5335 7.5335 9.2470 9.2470 9.9095 9.9095 9.9757 9.9757 10.7196 10.7196 10.9912 10.9912 k = 0.2292 0.1605 1.1928 ( 2630 PWs) bands (ev): -6.5964 -6.5964 -6.0294 -6.0294 -4.7319 -4.7319 -4.0126 -4.0126 -3.7292 -3.7292 -3.0229 -3.0229 -0.8098 -0.8098 0.8319 0.8319 1.4337 1.4337 2.6453 2.6453 2.6643 2.6643 3.6673 3.6673 5.0343 5.0343 5.5216 5.5216 6.4477 6.4477 7.1892 7.1892 7.2284 7.2284 7.5602 7.5602 9.2852 9.2852 9.8905 9.8905 9.9494 9.9494 10.7292 10.7292 10.9530 10.9530 k = 0.2222 0.1756 1.1799 ( 2638 PWs) bands (ev): -6.6026 -6.6026 -6.0342 -6.0342 -4.7411 -4.7411 -4.0192 -4.0192 -3.7182 -3.7182 -3.0025 -3.0025 -0.7925 -0.7925 0.8489 0.8489 1.4059 1.4059 2.6636 2.6636 2.6901 2.6901 3.6864 3.6864 4.9894 4.9894 5.5049 5.5049 6.3949 6.3949 7.1656 7.1656 7.2259 7.2259 7.5887 7.5887 9.3357 9.3357 9.8641 9.8641 9.9107 9.9107 10.7456 10.7456 10.9014 10.9014 k = 0.2153 0.1906 1.1670 ( 2638 PWs) bands (ev): -6.6104 -6.6104 -6.0403 -6.0403 -4.7525 -4.7525 -4.0274 -4.0274 -3.7045 -3.7045 -2.9765 -2.9765 -0.7702 -0.7702 0.8706 0.8706 1.3731 1.3731 2.6652 2.6652 2.7428 2.7428 3.7101 3.7101 4.9330 4.9330 5.4849 5.4849 6.3291 6.3291 7.0989 7.0989 7.2680 7.2680 7.6177 7.6177 9.3961 9.3961 9.8278 9.8278 9.8621 9.8621 10.7694 10.7694 10.8380 10.8380 k = 0.2083 0.2057 1.1541 ( 2638 PWs) bands (ev): -6.6197 -6.6197 -6.0476 -6.0476 -4.7659 -4.7659 -4.0371 -4.0371 -3.6884 -3.6884 -2.9452 -2.9452 -0.7432 -0.7432 0.8967 0.8967 1.3369 1.3369 2.6675 2.6675 2.8039 2.8039 3.7380 3.7380 4.8657 4.8657 5.4624 5.4624 6.2515 6.2515 7.0264 7.0264 7.3184 7.3184 7.6467 7.6467 9.4640 9.4640 9.7726 9.7726 9.8134 9.8134 10.7633 10.7633 10.8009 10.8009 k = 0.2014 0.2207 1.1413 ( 2640 PWs) bands (ev): -6.6304 -6.6304 -6.0560 -6.0560 -4.7810 -4.7810 -4.0480 -4.0480 -3.6702 -3.6702 -2.9090 -2.9090 -0.7114 -0.7114 0.9269 0.9269 1.2986 1.2986 2.6710 2.6710 2.8720 2.8720 3.7694 3.7694 4.7885 4.7885 5.4382 5.4382 6.1637 6.1637 6.9497 6.9497 7.3758 7.3758 7.6754 7.6754 9.5368 9.5368 9.6968 9.6968 9.7678 9.7678 10.6806 10.6806 10.8359 10.8359 k = 0.1944 0.2358 1.1284 ( 2638 PWs) bands (ev): -6.6425 -6.6425 -6.0655 -6.0655 -4.7975 -4.7975 -4.0601 -4.0601 -3.6502 -3.6502 -2.8680 -2.8680 -0.6749 -0.6749 0.9606 0.9606 1.2597 1.2597 2.6760 2.6760 2.9458 2.9458 3.8035 3.8035 4.7023 4.7023 5.4132 5.4132 6.0672 6.0672 6.8700 6.8700 7.4396 7.4396 7.7034 7.7034 9.6033 9.6033 9.6164 9.6164 9.7202 9.7202 10.5897 10.5897 10.8732 10.8732 k = 0.1875 0.2508 1.1155 ( 2638 PWs) bands (ev): -6.6556 -6.6556 -6.0760 -6.0760 -4.8152 -4.8152 -4.0731 -4.0731 -3.6288 -3.6288 -2.8226 -2.8226 -0.6338 -0.6338 0.9967 0.9967 1.2223 1.2223 2.6829 2.6829 3.0246 3.0246 3.8395 3.8395 4.6081 4.6081 5.3881 5.3881 5.9634 5.9634 6.7881 6.7881 7.5091 7.5091 7.7304 7.7304 9.5080 9.5080 9.6647 9.6647 9.6928 9.6928 10.4920 10.4920 10.9099 10.9099 k = 0.1806 0.2658 1.1027 ( 2642 PWs) bands (ev): -6.6698 -6.6698 -6.0872 -6.0872 -4.8338 -4.8338 -4.0870 -4.0870 -3.6062 -3.6062 -2.7731 -2.7731 -0.5883 -0.5883 1.0316 1.0316 1.1901 1.1901 2.6918 2.6918 3.1077 3.1077 3.8765 3.8765 4.5067 4.5067 5.3637 5.3637 5.8540 5.8540 6.7046 6.7046 7.5835 7.5835 7.7558 7.7558 9.4014 9.4014 9.6104 9.6104 9.7660 9.7660 10.3884 10.3884 10.9436 10.9436 k = 0.1736 0.2809 1.0898 ( 2640 PWs) bands (ev): -6.6848 -6.6848 -6.0992 -6.0992 -4.8530 -4.8530 -4.1014 -4.1014 -3.5828 -3.5828 -2.7197 -2.7197 -0.5383 -0.5383 1.0548 1.0548 1.1743 1.1743 2.7031 2.7031 3.1943 3.1943 3.9135 3.9135 4.3992 4.3992 5.3403 5.3403 5.7409 5.7409 6.6199 6.6199 7.6624 7.6624 7.7793 7.7793 9.2888 9.2888 9.5495 9.5495 9.8388 9.8388 10.2798 10.2798 10.9726 10.9726 k = 0.1667 0.2959 1.0769 ( 2644 PWs) bands (ev): -6.7005 -6.7005 -6.1118 -6.1118 -4.8728 -4.8728 -4.1163 -4.1163 -3.5588 -3.5588 -2.6627 -2.6627 -0.4840 -0.4840 1.0496 1.0496 1.1916 1.1916 2.7169 2.7169 3.2839 3.2839 3.9491 3.9491 4.2865 4.2865 5.3170 5.3170 5.6270 5.6270 6.5345 6.5345 7.7451 7.7451 7.8006 7.8006 9.1713 9.1713 9.4840 9.4840 9.9078 9.9078 10.1671 10.1671 10.9962 10.9962 k = 0.1597 0.3110 1.0640 ( 2642 PWs) bands (ev): -6.7167 -6.7167 -6.1250 -6.1250 -4.8928 -4.8928 -4.1316 -4.1316 -3.5344 -3.5344 -2.6025 -2.6025 -0.4255 -0.4255 1.0241 1.0241 1.2342 1.2342 2.7334 2.7334 3.3759 3.3759 3.9820 3.9820 4.1697 4.1697 5.2903 5.2903 5.5186 5.5186 6.4486 6.4486 7.8159 7.8159 7.8344 7.8344 9.0502 9.0502 9.4143 9.4143 9.9702 9.9702 10.0527 10.0527 11.0143 11.0143 k = 0.1528 0.3260 1.0512 ( 2644 PWs) bands (ev): -6.7333 -6.7333 -6.1384 -6.1384 -4.9129 -4.9129 -4.1471 -4.1471 -3.5099 -3.5099 -2.5393 -2.5393 -0.3630 -0.3630 0.9928 0.9928 1.2877 1.2877 2.7527 2.7527 3.4694 3.4694 4.0102 4.0102 4.0505 4.0505 5.2470 5.2470 5.4308 5.4308 6.3622 6.3622 7.8324 7.8324 7.9224 7.9224 8.9265 8.9265 9.3407 9.3407 9.9265 9.9265 10.0358 10.0358 11.0272 11.0272 k = 0.1458 0.3411 1.0383 ( 2644 PWs) bands (ev): -6.7502 -6.7502 -6.1522 -6.1522 -4.9330 -4.9330 -4.1628 -4.1628 -3.4855 -3.4855 -2.4736 -2.4736 -0.2965 -0.2965 0.9608 0.9608 1.3470 1.3470 2.7748 2.7748 3.5622 3.5622 3.9295 3.9295 4.0339 4.0339 5.1689 5.1689 5.3844 5.3844 6.2757 6.2757 7.8439 7.8439 8.0146 8.0146 8.8010 8.8010 9.2632 9.2632 9.8054 9.8054 10.0883 10.0883 11.0354 11.0354 k = 0.1389 0.3561 1.0254 ( 2642 PWs) bands (ev): -6.7672 -6.7672 -6.1661 -6.1661 -4.9528 -4.9528 -4.1784 -4.1784 -3.4614 -3.4614 -2.4055 -2.4055 -0.2262 -0.2262 0.9300 0.9300 1.4101 1.4101 2.7999 2.7999 3.6431 3.6431 3.8209 3.8209 4.0483 4.0483 5.0648 5.0648 5.3733 5.3733 6.1891 6.1891 7.8516 7.8516 8.1093 8.1093 8.6746 8.6746 9.1824 9.1824 9.6809 9.6809 10.1367 10.1367 11.0397 11.0397 k = 0.1319 0.3712 1.0126 ( 2646 PWs) bands (ev): -6.7842 -6.7842 -6.1800 -6.1800 -4.9724 -4.9724 -4.1939 -4.1939 -3.4377 -3.4377 -2.3356 -2.3356 -0.1521 -0.1521 0.9011 0.9011 1.4761 1.4761 2.8278 2.8278 3.6287 3.6287 3.8074 3.8074 4.0525 4.0525 4.9526 4.9526 5.3821 5.3821 6.1025 6.1025 7.8554 7.8554 8.2058 8.2058 8.5480 8.5480 9.0985 9.0985 9.5543 9.5543 10.1802 10.1802 11.0408 11.0408 k = 0.1250 0.3862 0.9997 ( 2646 PWs) bands (ev): -6.8010 -6.8010 -6.1939 -6.1939 -4.9914 -4.9914 -4.2091 -4.2091 -3.4147 -3.4147 -2.2640 -2.2640 -0.0746 -0.0746 0.8748 0.8748 1.5442 1.5442 2.8587 2.8587 3.5177 3.5177 3.8907 3.8907 4.0437 4.0437 4.8418 4.8418 5.4045 5.4045 6.0160 6.0160 7.8556 7.8556 8.3032 8.3032 8.4222 8.4222 9.0123 9.0123 9.4264 9.4264 10.2194 10.2194 11.0393 11.0393 k = 0.1181 0.4013 0.9868 ( 2642 PWs) bands (ev): -6.8175 -6.8175 -6.2076 -6.2076 -5.0100 -5.0100 -4.2241 -4.2241 -3.3924 -3.3924 -2.1913 -2.1913 0.0065 0.0065 0.8514 0.8514 1.6137 1.6137 2.8923 2.8923 3.3930 3.3930 3.9879 3.9879 4.0197 4.0197 4.7377 4.7377 5.4381 5.4381 5.9300 5.9300 7.8521 7.8521 8.2966 8.2966 8.4013 8.4013 8.9251 8.9251 9.2975 9.2975 10.2549 10.2549 11.0357 11.0357 k = 0.1111 0.4163 0.9739 ( 2640 PWs) bands (ev): -6.8336 -6.8336 -6.2210 -6.2210 -5.0279 -5.0279 -4.2387 -4.2387 -3.3709 -3.3709 -2.1179 -2.1179 0.0907 0.0907 0.8313 0.8313 1.6838 1.6838 2.9287 2.9287 3.2666 3.2666 3.9761 3.9761 4.0893 4.0893 4.6442 4.6442 5.4819 5.4819 5.8446 5.8446 7.8453 7.8453 8.1739 8.1739 8.4944 8.4944 8.8405 8.8405 9.1683 9.1683 10.2875 10.2875 11.0307 11.0307 k = 0.1042 0.4313 0.9611 ( 2638 PWs) bands (ev): -6.8493 -6.8493 -6.2341 -6.2341 -5.0450 -5.0450 -4.2528 -4.2528 -3.3504 -3.3504 -2.0441 -2.0441 0.1781 0.1781 0.8149 0.8149 1.7533 1.7533 2.9675 2.9675 3.1413 3.1413 3.9138 3.9138 4.1904 4.1904 4.5639 4.5639 5.5347 5.5347 5.7604 5.7604 7.8355 7.8355 8.0535 8.0535 8.5673 8.5673 8.7749 8.7749 9.0390 9.0390 10.3178 10.3178 11.0246 11.0246 k = 0.0972 0.4464 0.9482 ( 2636 PWs) bands (ev): -6.8644 -6.8644 -6.2467 -6.2467 -5.0614 -5.0614 -4.2663 -4.2663 -3.3310 -3.3310 -1.9706 -1.9706 0.2684 0.2684 0.8024 0.8024 1.8208 1.8208 3.0073 3.0073 3.0207 3.0207 3.8326 3.8326 4.2907 4.2907 4.4971 4.4971 5.5954 5.5954 5.6783 5.6783 7.8230 7.8230 7.9365 7.9365 8.5636 8.5636 8.7845 8.7845 8.9104 8.9104 10.3463 10.3463 11.0178 11.0178 k = 0.0903 0.4614 0.9353 ( 2634 PWs) bands (ev): -6.8787 -6.8787 -6.2588 -6.2588 -5.0769 -5.0769 -4.2793 -4.2793 -3.3126 -3.3126 -1.8979 -1.8979 0.3614 0.3614 0.7942 0.7942 1.8838 1.8838 2.9028 2.9028 3.0522 3.0522 3.7355 3.7355 4.3888 4.3888 4.4419 4.4419 5.5971 5.5971 5.6651 5.6651 7.8059 7.8059 7.8258 7.8258 8.4888 8.4888 8.7825 8.7825 8.8639 8.8639 10.3733 10.3733 11.0108 11.0108 k = 0.0833 0.4765 0.9224 ( 2636 PWs) bands (ev): -6.8924 -6.8924 -6.2703 -6.2703 -5.0915 -5.0915 -4.2915 -4.2915 -3.2955 -3.2955 -1.8265 -1.8265 0.4569 0.4569 0.7907 0.7907 1.9387 1.9387 2.7961 2.7961 3.0972 3.0972 3.6267 3.6267 4.3954 4.3954 4.4832 4.4832 5.5220 5.5220 5.7391 5.7391 7.7132 7.7132 7.7934 7.7934 8.3945 8.3945 8.6569 8.6569 8.9609 8.9609 10.3991 10.3991 11.0038 11.0038 k = 0.0764 0.4915 0.9096 ( 2634 PWs) bands (ev): -6.9052 -6.9052 -6.2811 -6.2811 -5.1051 -5.1051 -4.3029 -4.3029 -3.2796 -3.2796 -1.7571 -1.7571 0.5546 0.5546 0.7923 0.7923 1.9794 1.9794 2.7050 2.7050 3.1435 3.1435 3.5100 3.5100 4.3547 4.3547 4.5713 4.5713 5.4531 5.4531 5.8189 5.8189 7.6100 7.6100 7.7756 7.7756 8.2939 8.2939 8.5336 8.5336 9.0624 9.0624 10.4237 10.4237 10.9972 10.9972 k = 0.0694 0.5066 0.8967 ( 2636 PWs) bands (ev): -6.9171 -6.9171 -6.2912 -6.2912 -5.1176 -5.1176 -4.3136 -4.3136 -3.2650 -3.2650 -1.6903 -1.6903 0.6542 0.6542 0.7993 0.7993 1.9971 1.9971 2.6378 2.6378 3.1905 3.1905 3.3887 3.3887 4.3178 4.3178 4.6493 4.6493 5.3942 5.3942 5.9031 5.9031 7.5125 7.5125 7.7570 7.7570 8.1904 8.1904 8.4139 8.4139 9.1647 9.1647 10.4470 10.4470 10.9913 10.9913 k = 0.0625 0.5216 0.8838 ( 2642 PWs) bands (ev): -6.9280 -6.9280 -6.3005 -6.3005 -5.1291 -5.1291 -4.3234 -4.3234 -3.2517 -3.2517 -1.6269 -1.6269 0.7552 0.7552 0.8122 0.8122 1.9834 1.9834 2.6028 2.6028 3.2315 3.2315 3.2715 3.2715 4.2833 4.2833 4.7119 4.7119 5.3507 5.3507 5.9909 5.9909 7.4216 7.4216 7.7377 7.7377 8.0853 8.0853 8.2987 8.2987 9.2663 9.2663 10.4691 10.4691 10.9864 10.9864 k = 0.0556 0.5367 0.8710 ( 2640 PWs) bands (ev): -6.9380 -6.9380 -6.3089 -6.3089 -5.1395 -5.1395 -4.3323 -4.3323 -3.2397 -3.2397 -1.5676 -1.5676 0.8312 0.8312 0.8571 0.8571 1.9372 1.9372 2.6007 2.6007 3.1365 3.1365 3.2898 3.2898 4.2504 4.2504 4.7524 4.7524 5.3290 5.3290 6.0813 6.0813 7.3383 7.3383 7.7177 7.7177 7.9796 7.9796 8.1895 8.1895 9.3658 9.3658 10.4896 10.4896 10.9829 10.9829 k = 0.0486 0.5517 0.8581 ( 2644 PWs) bands (ev): -6.9468 -6.9468 -6.3165 -6.3165 -5.1487 -5.1487 -4.3402 -4.3402 -3.2291 -3.2291 -1.5131 -1.5131 0.8569 0.8569 0.9590 0.9590 1.8663 1.8663 2.6231 2.6231 3.0139 3.0139 3.3362 3.3362 4.2187 4.2187 4.7667 4.7667 5.3331 5.3331 6.1733 6.1733 7.2631 7.2631 7.6967 7.6967 7.8741 7.8741 8.0883 8.0883 9.4619 9.4619 10.5084 10.5084 10.9812 10.9812 k = 0.0417 0.5668 0.8452 ( 2646 PWs) bands (ev): -6.9546 -6.9546 -6.3231 -6.3231 -5.1568 -5.1568 -4.3472 -4.3472 -3.2199 -3.2199 -1.4642 -1.4642 0.8894 0.8894 1.0599 1.0599 1.7811 1.7811 2.6588 2.6588 2.8936 2.8936 3.3816 3.3816 4.1883 4.1883 4.7576 4.7576 5.3599 5.3599 6.2656 6.2656 7.1972 7.1972 7.6735 7.6735 7.7703 7.7703 7.9974 7.9974 9.5530 9.5530 10.5252 10.5252 10.9815 10.9815 k = 0.0347 0.5818 0.8323 ( 2646 PWs) bands (ev): -6.9612 -6.9612 -6.3288 -6.3288 -5.1637 -5.1637 -4.3531 -4.3531 -3.2121 -3.2121 -1.4214 -1.4214 0.9290 0.9290 1.1582 1.1582 1.6891 1.6891 2.6994 2.6994 2.7785 2.7785 3.4245 3.4245 4.1594 4.1594 4.7335 4.7335 5.4006 5.4006 6.3567 6.3567 7.1414 7.1414 7.6422 7.6422 7.6747 7.6747 7.9197 7.9197 9.6372 9.6372 10.5399 10.5399 10.9845 10.9845 k = 0.0278 0.5968 0.8195 ( 2644 PWs) bands (ev): -6.9667 -6.9667 -6.3335 -6.3335 -5.1693 -5.1693 -4.3580 -4.3580 -3.2057 -3.2057 -1.3855 -1.3855 0.9757 0.9757 1.2514 1.2514 1.5953 1.5953 2.6703 2.6703 2.7400 2.7400 3.4635 3.4635 4.1328 4.1328 4.7033 4.7033 5.4458 5.4458 6.4441 6.4441 7.0969 7.0969 7.5628 7.5628 7.6283 7.6283 7.8581 7.8581 9.7122 9.7122 10.5522 10.5522 10.9903 10.9903 k = 0.0208 0.6119 0.8066 ( 2652 PWs) bands (ev): -6.9710 -6.9710 -6.3372 -6.3372 -5.1737 -5.1737 -4.3618 -4.3618 -3.2008 -3.2008 -1.3570 -1.3570 1.0294 1.0294 1.3356 1.3356 1.5027 1.5027 2.5749 2.5749 2.7749 2.7749 3.4970 3.4970 4.1095 4.1095 4.6738 4.6738 5.4882 5.4882 6.5240 6.5240 7.0649 7.0649 7.4726 7.4726 7.5982 7.5982 7.8138 7.8138 9.7752 9.7752 10.5620 10.5620 10.9990 10.9990 k = 0.0139 0.6269 0.7937 ( 2652 PWs) bands (ev): -6.9741 -6.9741 -6.3398 -6.3398 -5.1769 -5.1769 -4.3646 -4.3646 -3.1972 -3.1972 -1.3364 -1.3364 1.0892 1.0892 1.4045 1.4045 1.4146 1.4146 2.4972 2.4972 2.8020 2.8020 3.5230 3.5230 4.0911 4.0911 4.6497 4.6497 5.5222 5.5222 6.5905 6.5905 7.0465 7.0465 7.3933 7.3933 7.5719 7.5719 7.7855 7.7855 9.8232 9.8232 10.5690 10.5690 11.0094 11.0094 k = 0.0069 0.6420 0.7809 ( 2658 PWs) bands (ev): -6.9759 -6.9759 -6.3414 -6.3414 -5.1788 -5.1788 -4.3662 -4.3662 -3.1951 -3.1951 -1.3238 -1.3238 1.1525 1.1525 1.3330 1.3330 1.4522 1.4522 2.4452 2.4452 2.8192 2.8192 3.5396 3.5396 4.0791 4.0791 4.6340 4.6340 5.5442 5.5442 6.6356 6.6356 7.0402 7.0402 7.3354 7.3354 7.5536 7.5536 7.7700 7.7700 9.8535 9.8535 10.5733 10.5733 11.0188 11.0188 k = 0.0000 0.6570 0.7680 ( 2652 PWs) bands (ev): -6.9765 -6.9765 -6.3419 -6.3419 -5.1794 -5.1794 -4.3668 -4.3668 -3.1944 -3.1944 -1.3196 -1.3196 1.1950 1.1950 1.2845 1.2845 1.4691 1.4691 2.4267 2.4267 2.8251 2.8251 3.5454 3.5454 4.0750 4.0750 4.6286 4.6286 5.5518 5.5518 6.6517 6.6517 7.0398 7.0398 7.3134 7.3134 7.5471 7.5471 7.7651 7.7651 9.8639 9.8639 10.5747 10.5747 11.0228 11.0228 k = 0.0000 0.6570 0.7680 ( 2652 PWs) bands (ev): -6.9765 -6.9765 -6.3419 -6.3419 -5.1794 -5.1794 -4.3668 -4.3668 -3.1944 -3.1944 -1.3196 -1.3196 1.1950 1.1950 1.2845 1.2845 1.4691 1.4691 2.4267 2.4267 2.8251 2.8251 3.5454 3.5454 4.0750 4.0750 4.6286 4.6286 5.5518 5.5518 6.6517 6.6517 7.0398 7.0398 7.3134 7.3134 7.5471 7.5471 7.7651 7.7651 9.8639 9.8639 10.5747 10.5747 11.0228 11.0228 k = 0.0193 0.6622 0.7636 ( 2657 PWs) bands (ev): -6.9759 -6.9759 -6.3424 -6.3424 -5.1852 -5.1852 -4.3593 -4.3593 -3.1965 -3.1965 -1.3183 -1.3183 1.1939 1.1939 1.2850 1.2850 1.4701 1.4701 2.4285 2.4285 2.8117 2.8117 3.5590 3.5590 4.0720 4.0720 4.6333 4.6333 5.5431 5.5431 6.6568 6.6568 7.0299 7.0299 7.2608 7.2608 7.6000 7.6000 7.7828 7.7828 9.8556 9.8556 10.5800 10.5800 11.0191 11.0191 k = 0.0386 0.6673 0.7592 ( 2656 PWs) bands (ev): -6.9739 -6.9739 -6.3437 -6.3437 -5.2017 -5.2017 -4.3374 -4.3374 -3.2028 -3.2028 -1.3144 -1.3144 1.1907 1.1907 1.2867 1.2867 1.4730 1.4730 2.4340 2.4340 2.7745 2.7745 3.5970 3.5970 4.0637 4.0637 4.6470 4.6470 5.5179 5.5179 6.6699 6.6699 7.0053 7.0053 7.1594 7.1594 7.7025 7.7025 7.8320 7.8320 9.8323 9.8323 10.5929 10.5929 11.0098 11.0098 k = 0.0579 0.6725 0.7548 ( 2660 PWs) bands (ev): -6.9706 -6.9706 -6.3460 -6.3460 -5.2271 -5.2271 -4.3032 -4.3032 -3.2130 -3.2130 -1.3082 -1.3082 1.1854 1.1854 1.2895 1.2895 1.4778 1.4778 2.4430 2.4430 2.7198 2.7198 3.6531 3.6531 4.0509 4.0509 4.6687 4.6687 5.4782 5.4782 6.6831 6.6831 6.9797 6.9797 7.0477 7.0477 7.8159 7.8159 7.9045 7.9045 9.7975 9.7975 10.6060 10.6060 11.0005 11.0005 k = 0.0772 0.6776 0.7504 ( 2652 PWs) bands (ev): -6.9661 -6.9661 -6.3495 -6.3495 -5.2586 -5.2586 -4.2592 -4.2592 -3.2270 -3.2270 -1.2998 -1.2998 1.1782 1.1782 1.2935 1.2935 1.4841 1.4841 2.4552 2.4552 2.6540 2.6540 3.7211 3.7211 4.0351 4.0351 4.6969 4.6969 5.4265 5.4265 6.6843 6.6843 6.9334 6.9334 6.9710 6.9710 7.9312 7.9312 7.9924 7.9924 9.7558 9.7558 10.6082 10.6082 11.0000 11.0000 k = 0.0964 0.6827 0.7460 ( 2655 PWs) bands (ev): -6.9604 -6.9604 -6.3543 -6.3543 -5.2937 -5.2937 -4.2080 -4.2080 -3.2443 -3.2443 -1.2896 -1.2896 1.1694 1.1694 1.2988 1.2988 1.4917 1.4917 2.4701 2.4701 2.5821 2.5821 3.7963 3.7963 4.0175 4.0175 4.7300 4.7300 5.3654 5.3654 6.6652 6.6652 6.8218 6.8218 6.9877 6.9877 8.0450 8.0450 8.0895 8.0895 9.7112 9.7112 10.5901 10.5901 11.0164 11.0164 k = 0.1157 0.6879 0.7416 ( 2652 PWs) bands (ev): -6.9536 -6.9536 -6.3607 -6.3607 -5.3300 -5.3300 -4.1518 -4.1518 -3.2644 -3.2644 -1.2782 -1.2782 1.1592 1.1592 1.3054 1.3054 1.5002 1.5002 2.4870 2.4870 2.5080 2.5080 3.8756 3.8756 3.9997 3.9997 4.7666 4.7666 5.2972 5.2972 6.6302 6.6302 6.7129 6.7129 7.0279 7.0279 8.1553 8.1553 8.1911 8.1911 9.6677 9.6677 10.5493 10.5493 11.0515 11.0515 k = 0.1350 0.6930 0.7372 ( 2654 PWs) bands (ev): -6.9460 -6.9460 -6.3688 -6.3688 -5.3658 -5.3658 -4.0927 -4.0927 -3.2868 -3.2868 -1.2659 -1.2659 1.1478 1.1478 1.3130 1.3130 1.5094 1.5094 2.4332 2.4332 2.5065 2.5065 3.9566 3.9566 3.9828 3.9828 4.8050 4.8050 5.2239 5.2239 6.5864 6.5864 6.6109 6.6109 7.0816 7.0816 8.2607 8.2607 8.2931 8.2931 9.6287 9.6287 10.4901 10.4901 11.0680 11.0680 k = 0.1543 0.6982 0.7328 ( 2652 PWs) bands (ev): -6.9376 -6.9376 -6.3790 -6.3790 -5.3994 -5.3994 -4.0324 -4.0324 -3.3105 -3.3105 -1.2532 -1.2532 1.1356 1.1356 1.3215 1.3215 1.5189 1.5189 2.3614 2.3614 2.5264 2.5264 3.9671 3.9671 4.0384 4.0384 4.8440 4.8440 5.1469 5.1469 6.5046 6.5046 6.5529 6.5529 7.1411 7.1411 8.3596 8.3596 8.3922 8.3922 9.5974 9.5974 10.4186 10.4186 11.0192 11.0192 k = 0.1736 0.7033 0.7284 ( 2656 PWs) bands (ev): -6.9287 -6.9287 -6.3911 -6.3911 -5.4296 -5.4296 -3.9727 -3.9727 -3.3348 -3.3348 -1.2408 -1.2408 1.1227 1.1227 1.3302 1.3302 1.5283 1.5283 2.2940 2.2940 2.5467 2.5467 3.9544 3.9544 4.1185 4.1185 4.8817 4.8817 5.0680 5.0680 6.4124 6.4124 6.5166 6.5166 7.2014 7.2014 8.4499 8.4499 8.4852 8.4852 9.5767 9.5767 10.3404 10.3404 10.9740 10.9740 k = 0.1929 0.7084 0.7240 ( 2654 PWs) bands (ev): -6.9197 -6.9197 -6.4053 -6.4053 -5.4554 -5.4554 -3.9154 -3.9154 -3.3581 -3.3581 -1.2291 -1.2291 1.1096 1.1096 1.3384 1.3384 1.5376 1.5376 2.2330 2.2330 2.5666 2.5666 3.9450 3.9450 4.1961 4.1961 4.9164 4.9164 4.9890 4.9890 6.3279 6.3279 6.4878 6.4878 7.2590 7.2590 8.5291 8.5291 8.5697 8.5697 9.5687 9.5687 10.2605 10.2605 10.9349 10.9349 k = 0.2122 0.7136 0.7196 ( 2654 PWs) bands (ev): -6.9110 -6.9110 -6.4212 -6.4212 -5.4762 -5.4762 -3.8631 -3.8631 -3.3786 -3.3786 -1.2185 -1.2185 1.0963 1.0963 1.3449 1.3449 1.5465 1.5465 2.1805 2.1805 2.5855 2.5855 3.9396 3.9396 4.2690 4.2690 4.9096 4.9096 4.9486 4.9486 6.2534 6.2534 6.4672 6.4672 7.3107 7.3107 8.5947 8.5947 8.6439 8.6439 9.5734 9.5734 10.1843 10.1843 10.9045 10.9045 k = 0.2315 0.7187 0.7152 ( 2658 PWs) bands (ev): -6.9033 -6.9033 -6.4382 -6.4382 -5.4916 -5.4916 -3.8186 -3.8186 -3.3938 -3.3938 -1.2096 -1.2096 1.0831 1.0831 1.3486 1.3486 1.5549 1.5549 2.1386 2.1386 2.6024 2.6024 3.9388 3.9388 4.3340 4.3340 4.8382 4.8382 4.9712 4.9712 6.1913 6.1913 6.4555 6.4555 7.3541 7.3541 8.6454 8.6454 8.7057 8.7057 9.5873 9.5873 10.1193 10.1193 10.8846 10.8846 k = 0.2508 0.7239 0.7108 ( 2653 PWs) bands (ev): -6.8975 -6.8975 -6.4553 -6.4553 -5.5012 -5.5012 -3.7856 -3.7856 -3.4003 -3.4003 -1.2027 -1.2027 1.0703 1.0703 1.3483 1.3483 1.5630 1.5630 2.1091 2.1091 2.6167 2.6167 3.9431 3.9431 4.3845 4.3845 4.7784 4.7784 4.9857 4.9857 6.1438 6.1438 6.4530 6.4530 7.3871 7.3871 8.6812 8.6812 8.7536 8.7536 9.6022 9.6022 10.0754 10.0754 10.8772 10.8772 k = 0.2700 0.7290 0.7064 ( 2654 PWs) bands (ev): -6.8945 -6.8945 -6.4714 -6.4714 -5.5052 -5.5052 -3.7672 -3.7672 -3.3956 -3.3956 -1.1981 -1.1981 1.0579 1.0579 1.3432 1.3432 1.5705 1.5705 2.0934 2.0934 2.6278 2.6278 3.9528 3.9528 4.4080 4.4080 4.7433 4.7433 4.9898 4.9898 6.1128 6.1128 6.4598 6.4598 7.4084 7.4084 8.7022 8.7022 8.7861 8.7861 9.6081 9.6081 10.0639 10.0639 10.8833 10.8833 k = 0.2700 0.7290 0.7064 ( 2654 PWs) bands (ev): -6.8945 -6.8945 -6.4714 -6.4714 -5.5052 -5.5052 -3.7672 -3.7672 -3.3956 -3.3956 -1.1981 -1.1981 1.0579 1.0579 1.3432 1.3432 1.5705 1.5705 2.0934 2.0934 2.6278 2.6278 3.9528 3.9528 4.4080 4.4080 4.7433 4.7433 4.9898 4.9898 6.1128 6.1128 6.4598 6.4598 7.4084 7.4084 8.7022 8.7022 8.7861 8.7861 9.6081 9.6081 10.0639 10.0639 10.8833 10.8833 k = 0.2754 0.7174 0.6900 ( 2650 PWs) bands (ev): -6.8963 -6.8963 -6.5280 -6.5280 -5.5024 -5.5024 -3.7280 -3.7280 -3.3563 -3.3563 -1.1857 -1.1857 1.0110 1.0110 1.3186 1.3186 1.5976 1.5976 2.0634 2.0634 2.6590 2.6590 4.0026 4.0026 4.4289 4.4289 4.6781 4.6781 4.9890 4.9890 6.0308 6.0308 6.5028 6.5028 7.4663 7.4663 8.7509 8.7509 8.8789 8.8789 9.6038 9.6038 10.0902 10.0902 10.9312 10.9312 k = 0.2807 0.7058 0.6736 ( 2650 PWs) bands (ev): -6.9103 -6.9103 -6.5852 -6.5852 -5.4852 -5.4852 -3.6892 -3.6892 -3.3196 -3.3196 -1.1738 -1.1738 0.9606 0.9606 1.3009 1.3009 1.6248 1.6248 2.0371 2.0371 2.6831 2.6831 4.0577 4.0577 4.4540 4.4540 4.6134 4.6134 4.9986 4.9986 5.9526 5.9526 6.5462 6.5462 7.5273 7.5273 8.7978 8.7978 8.9733 8.9733 9.5961 9.5961 10.1159 10.1159 10.9780 10.9780 k = 0.2861 0.6942 0.6571 ( 2654 PWs) bands (ev): -6.9351 -6.9351 -6.6427 -6.6427 -5.4550 -5.4550 -3.6512 -3.6512 -3.2854 -3.2854 -1.1623 -1.1623 0.9074 0.9074 1.2902 1.2902 1.6523 1.6523 2.0142 2.0142 2.7001 2.7001 4.1169 4.1169 4.4828 4.4828 4.5499 4.5499 5.0190 5.0190 5.8789 5.8789 6.5906 6.5906 7.5905 7.5905 8.8432 8.8432 9.0687 9.0687 9.5846 9.5846 10.1402 10.1402 11.0233 11.0233 k = 0.2914 0.6827 0.6407 ( 2642 PWs) bands (ev): -6.9693 -6.9693 -6.7005 -6.7005 -5.4135 -5.4135 -3.6141 -3.6141 -3.2539 -3.2539 -1.1514 -1.1514 0.8520 0.8520 1.2866 1.2866 1.6801 1.6801 1.9948 1.9948 2.7099 2.7099 4.1789 4.1789 4.4816 4.4816 4.5218 4.5218 5.0501 5.0501 5.8106 5.8106 6.6363 6.6363 7.6555 7.6555 8.8872 8.8872 9.1649 9.1649 9.5691 9.5691 10.1619 10.1619 11.0671 11.0671 k = 0.2968 0.6711 0.6243 ( 2646 PWs) bands (ev): -7.0111 -7.0111 -6.7583 -6.7583 -5.3625 -5.3625 -3.5782 -3.5782 -3.2248 -3.2248 -1.1410 -1.1410 0.7949 0.7949 1.2901 1.2901 1.7084 1.7084 1.9784 1.9784 2.7126 2.7126 4.2420 4.2420 4.4209 4.4209 4.5591 4.5591 5.0916 5.0916 5.7486 5.7486 6.6835 6.6835 7.7216 7.7216 8.9297 8.9297 9.2617 9.2617 9.5493 9.5493 10.1795 10.1795 11.1088 11.1088 k = 0.3021 0.6595 0.6078 ( 2642 PWs) bands (ev): -7.0588 -7.0588 -6.8159 -6.8159 -5.3041 -5.3041 -3.5437 -3.5437 -3.1981 -3.1981 -1.1311 -1.1311 0.7365 0.7365 1.3008 1.3008 1.7371 1.7371 1.9650 1.9650 2.7087 2.7087 4.3040 4.3040 4.3598 4.3598 4.6034 4.6034 5.1432 5.1432 5.6944 5.6944 6.7324 6.7324 7.7882 7.7882 8.9707 8.9707 9.3589 9.3589 9.5251 9.5251 10.1914 10.1914 11.1485 11.1485 k = 0.3075 0.6479 0.5914 ( 2650 PWs) bands (ev): -7.1109 -7.1109 -6.8733 -6.8733 -5.2400 -5.2400 -3.5108 -3.5108 -3.1736 -3.1736 -1.1217 -1.1217 0.6773 0.6773 1.3186 1.3186 1.7659 1.7659 1.9550 1.9550 2.6988 2.6988 4.2974 4.2974 4.3654 4.3654 4.6530 4.6530 5.2044 5.2044 5.6497 5.6497 6.7832 6.7832 7.8549 7.8549 9.0101 9.0101 9.4563 9.4563 9.4964 9.4964 10.1954 10.1954 11.1858 11.1858 k = 0.3128 0.6363 0.5750 ( 2650 PWs) bands (ev): -7.1662 -7.1662 -6.9302 -6.9302 -5.1717 -5.1717 -3.4796 -3.4796 -3.1510 -3.1510 -1.1127 -1.1127 0.6177 0.6177 1.3433 1.3433 1.7940 1.7940 1.9494 1.9494 2.6835 2.6835 4.2384 4.2384 4.4194 4.4194 4.7079 4.7079 5.2744 5.2744 5.6168 5.6168 6.8359 6.8359 7.9212 7.9212 9.0481 9.0481 9.4634 9.4634 9.5540 9.5540 10.1896 10.1896 11.1585 11.1585 k = 0.3182 0.6247 0.5586 ( 2650 PWs) bands (ev): -7.2236 -7.2236 -6.9865 -6.9865 -5.1005 -5.1005 -3.4502 -3.4502 -3.1300 -3.1300 -1.1042 -1.1042 0.5579 0.5579 1.3748 1.3748 1.8187 1.8187 1.9507 1.9507 2.6635 2.6635 4.1803 4.1803 4.4654 4.4654 4.7682 4.7682 5.3527 5.3527 5.5981 5.5981 6.8906 6.8906 7.9864 7.9864 9.0845 9.0845 9.4263 9.4263 9.6515 9.6515 10.1719 10.1719 11.1203 11.1203 k = 0.3235 0.6131 0.5421 ( 2654 PWs) bands (ev): -7.2823 -7.2823 -7.0421 -7.0421 -5.0277 -5.0277 -3.4228 -3.4228 -3.1103 -3.1103 -1.0960 -1.0960 0.4982 0.4982 1.4127 1.4127 1.8358 1.8358 1.9633 1.9633 2.6395 2.6395 4.1237 4.1237 4.5006 4.5006 4.8337 4.8337 5.4384 5.4384 5.5961 5.5961 6.9471 6.9471 8.0501 8.0501 9.1194 9.1194 9.3854 9.3854 9.7489 9.7489 10.1410 10.1410 11.0924 11.0924 k = 0.3289 0.6015 0.5257 ( 2658 PWs) bands (ev): -7.3417 -7.3417 -7.0969 -7.0969 -4.9541 -4.9541 -3.3974 -3.3974 -3.0914 -3.0914 -1.0880 -1.0880 0.4390 0.4390 1.4569 1.4569 1.8426 1.8426 1.9899 1.9899 2.6121 2.6121 4.0687 4.0687 4.5229 4.5229 4.9043 4.9043 5.5309 5.5309 5.6125 5.6125 7.0054 7.0054 8.1116 8.1116 9.1526 9.1526 9.3412 9.3412 9.8458 9.8458 10.0966 10.0966 11.0747 11.0747 k = 0.3342 0.5900 0.5093 ( 2662 PWs) bands (ev): -7.4011 -7.4011 -7.1507 -7.1507 -4.8809 -4.8809 -3.3741 -3.3741 -3.0731 -3.0731 -1.0800 -1.0800 0.3804 0.3804 1.5068 1.5068 1.8412 1.8412 2.0287 2.0287 2.5821 2.5821 4.0156 4.0156 4.5317 4.5317 4.9799 4.9799 5.6295 5.6295 5.6478 5.6478 7.0652 7.0652 8.1702 8.1702 9.1843 9.1843 9.2946 9.2946 9.9419 9.9419 10.0394 10.0394 11.0662 11.0662 k = 0.3396 0.5784 0.4928 ( 2658 PWs) bands (ev): -7.4603 -7.4603 -7.2036 -7.2036 -4.8087 -4.8087 -3.3529 -3.3529 -3.0547 -3.0547 -1.0720 -1.0720 0.3227 0.3227 1.5621 1.5621 1.8348 1.8348 2.0763 2.0763 2.5500 2.5500 3.9645 3.9645 4.5276 4.5276 5.0603 5.0603 5.7009 5.7009 5.7336 5.7336 7.1262 7.1262 8.2251 8.2251 9.2144 9.2144 9.2466 9.2466 9.9685 9.9685 10.0392 10.0392 11.0652 11.0652 k = 0.3449 0.5668 0.4764 ( 2650 PWs) bands (ev): -7.5189 -7.5189 -7.2554 -7.2554 -4.7384 -4.7384 -3.3338 -3.3338 -3.0359 -3.0359 -1.0636 -1.0636 0.2659 0.2659 1.6222 1.6222 1.8256 1.8256 2.1309 2.1309 2.5163 2.5163 3.9156 3.9156 4.5125 4.5125 5.1454 5.1454 5.7699 5.7699 5.8428 5.8428 7.1882 7.1882 8.2750 8.2750 9.1983 9.1983 9.2429 9.2429 9.8895 9.8895 10.1335 10.1335 11.0695 11.0695 k = 0.3503 0.5552 0.4600 ( 2650 PWs) bands (ev): -7.5765 -7.5765 -7.3059 -7.3059 -4.6708 -4.6708 -3.3167 -3.3167 -3.0162 -3.0162 -1.0548 -1.0548 0.2102 0.2102 1.6865 1.6865 1.8146 1.8146 2.1915 2.1915 2.4814 2.4814 3.8691 3.8691 4.4887 4.4887 5.2347 5.2347 5.8521 5.8521 5.9564 5.9564 7.2506 7.2506 8.3188 8.3188 9.1515 9.1515 9.2698 9.2698 9.8014 9.8014 10.2271 10.2271 11.0772 11.0772 k = 0.3556 0.5436 0.4436 ( 2650 PWs) bands (ev): -7.6331 -7.6331 -7.3553 -7.3553 -4.6064 -4.6064 -3.3016 -3.3016 -2.9952 -2.9952 -1.0453 -1.0453 0.1558 0.1558 1.7539 1.7539 1.8029 1.8029 2.2576 2.2576 2.4458 2.4458 3.8254 3.8254 4.4585 4.4585 5.3283 5.3283 5.9453 5.9453 6.0740 6.0740 7.3127 7.3127 8.3548 8.3548 9.1084 9.1084 9.2951 9.2951 9.7060 9.7060 10.3194 10.3194 11.0863 11.0863 k = 0.3610 0.5320 0.4271 ( 2654 PWs) bands (ev): -7.6883 -7.6883 -7.4033 -7.4033 -4.5459 -4.5459 -3.2885 -3.2885 -2.9726 -2.9726 -1.0349 -1.0349 0.1028 0.1028 1.7862 1.7862 1.8282 1.8282 2.3288 2.3288 2.4099 2.4099 3.7845 3.7845 4.4239 4.4239 5.4255 5.4255 6.0473 6.0473 6.1953 6.1953 7.3736 7.3736 8.3813 8.3813 9.0714 9.0714 9.3187 9.3187 9.6045 9.6045 10.4102 10.4102 11.0952 11.0952 k = 0.3663 0.5204 0.4107 ( 2654 PWs) bands (ev): -7.7421 -7.7421 -7.4499 -7.4499 -4.4898 -4.4898 -3.2773 -3.2773 -2.9480 -2.9480 -1.0233 -1.0233 0.0512 0.0512 1.7730 1.7730 1.9006 1.9006 2.3732 2.3732 2.4058 2.4058 3.7470 3.7470 4.3863 4.3863 5.5264 5.5264 6.1565 6.1565 6.3199 6.3199 7.4323 7.4323 8.3970 8.3970 9.0430 9.0430 9.3408 9.3408 9.4978 9.4978 10.4991 10.4991 11.1026 11.1026 k = 0.3717 0.5089 0.3943 ( 2660 PWs) bands (ev): -7.7943 -7.7943 -7.4951 -7.4951 -4.4384 -4.4384 -3.2678 -3.2678 -2.9213 -2.9213 -1.0103 -1.0103 0.0012 0.0012 1.7583 1.7583 1.9755 1.9755 2.3376 2.3376 2.4868 2.4868 3.7132 3.7132 4.3469 4.3469 5.6304 5.6304 6.2714 6.2714 6.4475 6.4475 7.4872 7.4872 8.4017 8.4017 9.0250 9.0250 9.3611 9.3611 9.3869 9.3869 10.5859 10.5859 11.1072 11.1072 k = 0.3770 0.4973 0.3779 ( 2666 PWs) bands (ev): -7.8449 -7.8449 -7.5388 -7.5388 -4.3920 -4.3920 -3.2600 -3.2600 -2.8924 -2.8924 -0.9957 -0.9957 -0.0472 -0.0472 1.7430 1.7430 2.0510 2.0510 2.3021 2.3021 2.5728 2.5728 3.6836 3.6836 4.3067 4.3067 5.7372 5.7372 6.3911 6.3911 6.5776 6.5776 7.5359 7.5359 8.3969 8.3969 9.0178 9.0178 9.2722 9.2722 9.3802 9.3802 10.6703 10.6703 11.1080 11.1080 k = 0.3823 0.4857 0.3614 ( 2666 PWs) bands (ev): -7.8937 -7.8937 -7.5809 -7.5809 -4.3508 -4.3508 -3.2536 -3.2536 -2.8615 -2.8615 -0.9792 -0.9792 -0.0938 -0.0938 1.7273 1.7273 2.1261 2.1261 2.2672 2.2672 2.6634 2.6634 3.6588 3.6588 4.2663 4.2663 5.8465 5.8465 6.5147 6.5147 6.7102 6.7102 7.5759 7.5759 8.3867 8.3867 9.0201 9.0201 9.1546 9.1546 9.3974 9.3974 10.7520 10.7520 11.1043 11.1043 k = 0.3877 0.4741 0.3450 ( 2668 PWs) bands (ev): -7.9407 -7.9407 -7.6214 -7.6214 -4.3147 -4.3147 -3.2487 -3.2487 -2.8288 -2.8288 -0.9607 -0.9607 -0.1387 -0.1387 1.7115 1.7115 2.1993 2.1993 2.2334 2.2334 2.7583 2.7583 3.6394 3.6394 4.2262 4.2262 5.9577 5.9577 6.6416 6.6416 6.8448 6.8448 7.6037 7.6037 8.3767 8.3767 9.0295 9.0295 9.0348 9.0348 9.4131 9.4131 10.8306 10.8306 11.0953 11.0953 k = 0.3930 0.4625 0.3286 ( 2676 PWs) bands (ev): -7.9857 -7.9857 -7.6604 -7.6604 -4.2835 -4.2835 -3.2451 -3.2451 -2.7946 -2.7946 -0.9400 -0.9400 -0.1818 -0.1818 1.6956 1.6956 2.1994 2.1994 2.2708 2.2708 2.8575 2.8575 3.6262 3.6262 4.1867 4.1867 6.0704 6.0704 6.7712 6.7712 6.9813 6.9813 7.6161 7.6161 8.3725 8.3725 8.9129 8.9129 9.0442 9.0442 9.4270 9.4270 10.9056 10.9056 11.0806 11.0806 k = 0.3984 0.4509 0.3121 ( 2676 PWs) bands (ev): -8.0288 -8.0288 -7.6976 -7.6976 -4.2571 -4.2571 -3.2426 -3.2426 -2.7594 -2.7594 -0.9169 -0.9169 -0.2231 -0.2231 1.6797 1.6797 2.1674 2.1674 2.3375 2.3375 2.9606 2.9606 3.6201 3.6201 4.1484 4.1484 6.1839 6.1839 6.9029 6.9029 7.1193 7.1193 7.6110 7.6110 8.3782 8.3782 8.7900 8.7900 9.0617 9.0617 9.4393 9.4393 10.9765 10.9765 11.0599 11.0599 k = 0.4037 0.4393 0.2957 ( 2674 PWs) bands (ev): -8.0699 -8.0699 -7.7331 -7.7331 -4.2351 -4.2351 -3.2411 -3.2411 -2.7237 -2.7237 -0.8915 -0.8915 -0.2624 -0.2624 1.6641 1.6641 2.1364 2.1364 2.3988 2.3988 3.0675 3.0675 3.6217 3.6217 4.1112 4.1112 6.2975 6.2975 7.0365 7.0365 7.2586 7.2586 7.5888 7.5888 8.3950 8.3950 8.6670 8.6670 9.0807 9.0807 9.4499 9.4499 11.0278 11.0278 11.0475 11.0475 k = 0.4091 0.4277 0.2793 ( 2674 PWs) bands (ev): -8.1089 -8.1089 -7.7668 -7.7668 -4.2170 -4.2170 -3.2405 -3.2405 -2.6880 -2.6880 -0.8637 -0.8637 -0.2997 -0.2997 1.6487 1.6487 2.1066 2.1066 2.4536 2.4536 3.1778 3.1778 3.6319 3.6319 4.0755 4.0755 6.4100 6.4100 7.1713 7.1713 7.3984 7.3984 7.5521 7.5521 8.4218 8.4218 8.5448 8.5448 9.1003 9.1003 9.4587 9.4587 10.9968 10.9968 11.0739 11.0739 k = 0.4144 0.4162 0.2629 ( 2674 PWs) bands (ev): -8.1459 -8.1459 -7.7988 -7.7988 -4.2025 -4.2025 -3.2407 -3.2407 -2.6530 -2.6530 -0.8336 -0.8336 -0.3351 -0.3351 1.6337 1.6337 2.0782 2.0782 2.5010 2.5010 3.2914 3.2914 3.6509 3.6509 4.0414 4.0414 6.5202 6.5202 7.3066 7.3066 7.4971 7.4971 7.5463 7.5463 8.4240 8.4240 8.4563 8.4563 9.1203 9.1203 9.4656 9.4656 10.9563 10.9563 11.0189 11.0189 k = 0.4198 0.4046 0.2464 ( 2666 PWs) bands (ev): -8.1807 -8.1807 -7.8290 -7.8290 -4.1911 -4.1911 -3.2414 -3.2414 -2.6190 -2.6190 -0.8014 -0.8014 -0.3685 -0.3685 1.6192 1.6192 2.0512 2.0512 2.5404 2.5404 3.4079 3.4079 3.6787 3.6787 4.0090 4.0090 6.6258 6.6258 7.4260 7.4260 7.4612 7.4612 7.6841 7.6841 8.3090 8.3090 8.4928 8.4928 9.1408 9.1408 9.4704 9.4704 10.9094 10.9094 10.9614 10.9614 k = 0.4251 0.3930 0.2300 ( 2666 PWs) bands (ev): -8.2134 -8.2134 -7.8573 -7.8573 -4.1823 -4.1823 -3.2427 -3.2427 -2.5865 -2.5865 -0.7674 -0.7674 -0.3998 -0.3998 1.6053 1.6053 2.0256 2.0256 2.5717 2.5717 3.5270 3.5270 3.7147 3.7147 3.9784 3.9784 6.7239 6.7239 7.3787 7.3787 7.5836 7.5836 7.8257 7.8257 8.2011 8.2011 8.5299 8.5299 9.1624 9.1624 9.4730 9.4730 10.8568 10.8568 10.9029 10.9029 k = 0.4305 0.3814 0.2136 ( 2666 PWs) bands (ev): -8.2440 -8.2440 -7.8838 -7.8838 -4.1758 -4.1758 -3.2444 -3.2444 -2.5559 -2.5559 -0.7318 -0.7318 -0.4290 -0.4290 1.5919 1.5919 2.0017 2.0017 2.5955 2.5955 3.6483 3.6483 3.7580 3.7580 3.9497 3.9497 6.8100 6.8100 7.3149 7.3149 7.7197 7.7197 7.9666 7.9666 8.1060 8.1060 8.5639 8.5639 9.1858 9.1858 9.4732 9.4732 10.7991 10.7991 10.8441 10.8441 k = 0.4358 0.3698 0.1971 ( 2658 PWs) bands (ev): -8.2723 -8.2723 -7.9084 -7.9084 -4.1712 -4.1712 -3.2464 -3.2464 -2.5275 -2.5275 -0.6953 -0.6953 -0.4562 -0.4562 1.5794 1.5794 1.9793 1.9793 2.6124 2.6124 3.7714 3.7714 3.8069 3.8069 3.9230 3.9230 6.8775 6.8775 7.2501 7.2501 7.8552 7.8552 8.0244 8.0244 8.1126 8.1126 8.5927 8.5927 9.2121 9.2121 9.4706 9.4706 10.7373 10.7373 10.7858 10.7858 k = 0.4412 0.3582 0.1807 ( 2654 PWs) bands (ev): -8.2984 -8.2984 -7.9311 -7.9311 -4.1680 -4.1680 -3.2486 -3.2486 -2.5014 -2.5014 -0.6582 -0.6582 -0.4812 -0.4812 1.5675 1.5675 1.9586 1.9586 2.6237 2.6237 3.8585 3.8585 3.8957 3.8957 3.8999 3.8999 6.9183 6.9183 7.1863 7.1863 7.9666 7.9666 7.9989 7.9989 8.2513 8.2513 8.6144 8.6144 9.2417 9.2417 9.4648 9.4648 10.6723 10.6723 10.7289 10.7289 k = 0.4465 0.3466 0.1643 ( 2650 PWs) bands (ev): -8.3223 -8.3223 -7.9519 -7.9519 -4.1661 -4.1661 -3.2509 -3.2509 -2.4777 -2.4777 -0.6211 -0.6211 -0.5042 -0.5042 1.5566 1.5566 1.9395 1.9395 2.6303 2.6303 3.8735 3.8735 3.9167 3.9167 4.0218 4.0218 6.9251 6.9251 7.1250 7.1250 7.9562 7.9562 8.1259 8.1259 8.3900 8.3900 8.6283 8.6283 9.2750 9.2750 9.4554 9.4554 10.6051 10.6051 10.6740 10.6740 k = 0.4519 0.3351 0.1479 ( 2656 PWs) bands (ev): -8.3440 -8.3440 -7.9708 -7.9708 -4.1651 -4.1651 -3.2533 -3.2533 -2.4565 -2.4565 -0.5848 -0.5848 -0.5250 -0.5250 1.5465 1.5465 1.9222 1.9222 2.6333 2.6333 3.8536 3.8536 3.9714 3.9714 4.1473 4.1473 6.8963 6.8963 7.0672 7.0672 7.9755 7.9755 8.2562 8.2562 8.5266 8.5266 8.6344 8.6344 9.3115 9.3115 9.4416 9.4416 10.5370 10.5370 10.6217 10.6217 k = 0.4572 0.3235 0.1314 ( 2660 PWs) bands (ev): -8.3635 -8.3635 -7.9877 -7.9877 -4.1649 -4.1649 -3.2556 -3.2556 -2.4378 -2.4378 -0.5499 -0.5499 -0.5436 -0.5436 1.5373 1.5373 1.9066 1.9066 2.6337 2.6337 3.8352 3.8352 4.0257 4.0257 4.2722 4.2722 6.8375 6.8375 7.0138 7.0138 8.0251 8.0251 8.3833 8.3833 8.6325 8.6325 8.6613 8.6613 9.3502 9.3502 9.4230 9.4230 10.4698 10.4698 10.5726 10.5726 k = 0.4626 0.3119 0.1150 ( 2668 PWs) bands (ev): -8.3806 -8.3806 -8.0026 -8.0026 -4.1651 -4.1651 -3.2578 -3.2578 -2.4215 -2.4215 -0.5601 -0.5601 -0.5171 -0.5171 1.5291 1.5291 1.8928 1.8928 2.6323 2.6323 3.8188 3.8188 4.0772 4.0772 4.3951 4.3951 6.7578 6.7578 6.9654 6.9654 8.0963 8.0963 8.5055 8.5055 8.6270 8.6270 8.7897 8.7897 9.3874 9.3874 9.4011 9.4011 10.4051 10.4051 10.5271 10.5271 k = 0.4679 0.3003 0.0986 ( 2672 PWs) bands (ev): -8.3955 -8.3955 -8.0156 -8.0156 -4.1655 -4.1655 -3.2598 -3.2598 -2.4077 -2.4077 -0.5744 -0.5744 -0.4870 -0.4870 1.5219 1.5219 1.8809 1.8809 2.6298 2.6298 3.8045 3.8045 4.1247 4.1247 4.5146 4.5146 6.6663 6.6663 6.9227 6.9227 8.1807 8.1807 8.6148 8.6148 8.6233 8.6233 8.9128 8.9128 9.3667 9.3667 9.4303 9.4303 10.3450 10.3450 10.4857 10.4857 k = 0.4733 0.2887 0.0821 ( 2676 PWs) bands (ev): -8.4082 -8.4082 -8.0266 -8.0266 -4.1662 -4.1662 -3.2616 -3.2616 -2.3961 -2.3961 -0.5865 -0.5865 -0.4603 -0.4603 1.5158 1.5158 1.8707 1.8707 2.6269 2.6269 3.7923 3.7923 4.1669 4.1669 4.6285 4.6285 6.5704 6.5704 6.8861 6.8861 8.2715 8.2715 8.6047 8.6047 8.7284 8.7284 9.0274 9.0274 9.3301 9.3301 9.4673 9.4673 10.2914 10.2914 10.4488 10.4488 k = 0.4786 0.2771 0.0657 ( 2676 PWs) bands (ev): -8.4185 -8.4185 -8.0356 -8.0356 -4.1669 -4.1669 -3.2631 -3.2631 -2.3868 -2.3868 -0.5964 -0.5964 -0.4376 -0.4376 1.5108 1.5108 1.8623 1.8623 2.6238 2.6238 3.7824 3.7824 4.2029 4.2029 4.7338 4.7338 6.4767 6.4767 6.8559 6.8559 8.3630 8.3630 8.5923 8.5923 8.8240 8.8240 9.1296 9.1296 9.2891 9.2891 9.5008 9.5008 10.2458 10.2458 10.4170 10.4170 k = 0.4840 0.2655 0.0493 ( 2676 PWs) bands (ev): -8.4265 -8.4265 -8.0426 -8.0426 -4.1676 -4.1676 -3.2643 -3.2643 -2.3797 -2.3797 -0.6041 -0.6041 -0.4193 -0.4193 1.5068 1.5068 1.8558 1.8558 2.6211 2.6211 3.7747 3.7747 4.2317 4.2317 4.8262 4.8262 6.3917 6.3917 6.8323 6.8323 8.4494 8.4494 8.5809 8.5809 8.9048 8.9048 9.2024 9.2024 9.2593 9.2593 9.5290 9.5290 10.2095 10.2095 10.3911 10.3911 k = 0.4893 0.2540 0.0329 ( 2684 PWs) bands (ev): -8.4323 -8.4323 -8.0476 -8.0476 -4.1681 -4.1681 -3.2652 -3.2652 -2.3746 -2.3746 -0.6096 -0.6096 -0.4060 -0.4060 1.5040 1.5040 1.8511 1.8511 2.6190 2.6190 3.7691 3.7691 4.2527 4.2527 4.9000 4.9000 6.3224 6.3224 6.8154 6.8154 8.5239 8.5239 8.5718 8.5718 8.9668 8.9668 9.1851 9.1851 9.3015 9.3015 9.5505 9.5505 10.1832 10.1832 10.3718 10.3718 k = 0.4947 0.2424 0.0164 ( 2690 PWs) bands (ev): -8.4357 -8.4357 -8.0507 -8.0507 -4.1684 -4.1684 -3.2658 -3.2658 -2.3716 -2.3716 -0.6130 -0.6130 -0.3978 -0.3978 1.5023 1.5023 1.8483 1.8483 2.6176 2.6176 3.7658 3.7658 4.2655 4.2655 4.9483 4.9483 6.2764 6.2764 6.8052 6.8052 8.5658 8.5658 8.5769 8.5769 9.0061 9.0061 9.1531 9.1531 9.3437 9.3437 9.5640 9.5640 10.1674 10.1674 10.3599 10.3599 k = 0.5000 0.2308 0.0000 ( 2694 PWs) bands (ev): -8.4369 -8.4369 -8.0517 -8.0517 -4.1685 -4.1685 -3.2660 -3.2660 -2.3706 -2.3706 -0.6141 -0.6141 -0.3951 -0.3951 1.5017 1.5017 1.8474 1.8474 2.6172 2.6172 3.7646 3.7646 4.2698 4.2698 4.9652 4.9652 6.2602 6.2602 6.8019 6.8019 8.5639 8.5639 8.5963 8.5963 9.0196 9.0196 9.1400 9.1400 9.3588 9.3588 9.5687 9.5687 10.1621 10.1621 10.3558 10.3558 k = 0.5000 0.2308 0.0000 ( 2694 PWs) bands (ev): -8.4369 -8.4369 -8.0517 -8.0517 -4.1685 -4.1685 -3.2660 -3.2660 -2.3706 -2.3706 -0.6141 -0.6141 -0.3951 -0.3951 1.5017 1.5017 1.8474 1.8474 2.6172 2.6172 3.7646 3.7646 4.2698 4.2698 4.9652 4.9652 6.2602 6.2602 6.8019 6.8019 8.5639 8.5639 8.5963 8.5963 9.0196 9.0196 9.1400 9.1400 9.3588 9.3588 9.5687 9.5687 10.1621 10.1621 10.3558 10.3558 k = 0.4815 0.2222 0.0000 ( 2698 PWs) bands (ev): -8.4446 -8.4446 -8.0420 -8.0420 -4.1680 -4.1680 -3.2766 -3.2766 -2.3636 -2.3636 -0.6130 -0.6130 -0.3990 -0.3990 1.5110 1.5110 1.8412 1.8412 2.6181 2.6181 3.7726 3.7726 4.2676 4.2676 4.9603 4.9603 6.2624 6.2624 6.8074 6.8074 8.5595 8.5595 8.5949 8.5949 9.0179 9.0179 9.1389 9.1389 9.3576 9.3576 9.5705 9.5705 10.1577 10.1577 10.3556 10.3556 k = 0.4630 0.2137 0.0000 ( 2682 PWs) bands (ev): -8.4657 -8.4657 -8.0149 -8.0149 -4.1664 -4.1664 -3.3073 -3.3073 -2.3436 -2.3436 -0.6097 -0.6097 -0.4101 -0.4101 1.5384 1.5384 1.8229 1.8229 2.6210 2.6210 3.7962 3.7962 4.2611 4.2611 4.9457 4.9457 6.2692 6.2692 6.8238 6.8238 8.5449 8.5449 8.5925 8.5925 9.0129 9.0129 9.1354 9.1354 9.3538 9.3538 9.5761 9.5761 10.1447 10.1447 10.3550 10.3550 k = 0.4444 0.2051-0.0000 ( 2681 PWs) bands (ev): -8.4960 -8.4960 -7.9747 -7.9747 -4.1638 -4.1638 -3.3553 -3.3553 -2.3136 -2.3136 -0.6043 -0.6043 -0.4275 -0.4275 1.5830 1.5830 1.7933 1.7933 2.6259 2.6259 3.8345 3.8345 4.2504 4.2504 4.9221 4.9221 6.2803 6.2803 6.8506 6.8506 8.5182 8.5182 8.5908 8.5908 9.0047 9.0047 9.1300 9.1300 9.3472 9.3472 9.5851 9.5851 10.1235 10.1235 10.3540 10.3540 k = 0.4259 0.1966 0.0000 ( 2673 PWs) bands (ev): -8.5315 -8.5315 -7.9254 -7.9254 -4.1603 -4.1603 -3.4171 -3.4171 -2.2773 -2.2773 -0.5968 -0.5968 -0.4496 -0.4496 1.6434 1.6434 1.7538 1.7538 2.6327 2.6327 3.8862 3.8862 4.2357 4.2357 4.8902 4.8902 6.2954 6.2954 6.8866 6.8866 8.4797 8.4797 8.5900 8.5900 8.9932 8.9932 9.1230 9.1230 9.3373 9.3373 9.5970 9.5970 10.0944 10.0944 10.3524 10.3524 k = 0.4074 0.1880 0.0000 ( 2673 PWs) bands (ev): -8.5696 -8.5696 -7.8695 -7.8695 -4.1559 -4.1559 -3.4896 -3.4896 -2.2382 -2.2382 -0.5871 -0.5871 -0.4743 -0.4743 1.7056 1.7056 1.7181 1.7181 2.6414 2.6414 3.9498 3.9498 4.2172 4.2172 4.8512 4.8512 6.3143 6.3143 6.9309 6.9309 8.4303 8.4303 8.5896 8.5896 8.9785 8.9785 9.1149 9.1149 9.3235 9.3235 9.6111 9.6111 10.0582 10.0582 10.3505 10.3505 k = 0.3889 0.1795 0.0000 ( 2681 PWs) bands (ev): -8.6086 -8.6086 -7.8089 -7.8089 -4.1507 -4.1507 -3.5700 -3.5700 -2.1992 -2.1992 -0.5752 -0.5752 -0.4998 -0.4998 1.6509 1.6509 1.8048 1.8048 2.6520 2.6520 4.0238 4.0238 4.1954 4.1954 4.8060 4.8060 6.3364 6.3364 6.9821 6.9821 8.3710 8.3710 8.5891 8.5891 8.9605 8.9605 9.1062 9.1062 9.3052 9.3052 9.6269 9.6269 10.0152 10.0152 10.3484 10.3484 k = 0.3704 0.1709 0.0000 ( 2677 PWs) bands (ev): -8.6476 -8.6476 -7.7445 -7.7445 -4.1450 -4.1450 -3.6562 -3.6562 -2.1626 -2.1626 -0.5613 -0.5613 -0.5240 -0.5240 1.5904 1.5904 1.9026 1.9026 2.6644 2.6644 4.1065 4.1065 4.1708 4.1708 4.7558 4.7558 6.3613 6.3613 7.0392 7.0392 8.3026 8.3026 8.5884 8.5884 8.9386 8.9386 9.0976 9.0976 9.2821 9.2821 9.6439 9.6439 9.9664 9.9664 10.3464 10.3464 k = 0.3519 0.1624 0.0000 ( 2665 PWs) bands (ev): -8.6858 -8.6858 -7.6769 -7.6769 -4.1393 -4.1393 -3.7464 -3.7464 -2.1301 -2.1301 -0.5468 -0.5468 -0.5438 -0.5438 1.5256 1.5256 2.0096 2.0096 2.6787 2.6787 4.1427 4.1427 4.1978 4.1978 4.7016 4.7016 6.3883 6.3883 7.1007 7.1007 8.2264 8.2264 8.5870 8.5870 8.9123 8.9123 9.0894 9.0894 9.2542 9.2542 9.6615 9.6615 9.9123 9.9123 10.3447 10.3447 k = 0.3333 0.1539 0.0000 ( 2661 PWs) bands (ev): -8.7228 -8.7228 -7.6068 -7.6068 -4.1344 -4.1344 -3.8384 -3.8384 -2.1032 -2.1032 -0.5627 -0.5627 -0.5268 -0.5268 1.4577 1.4577 2.1247 2.1247 2.6948 2.6948 4.1135 4.1135 4.2945 4.2945 4.6444 4.6444 6.4165 6.4165 7.1657 7.1657 8.1435 8.1435 8.5849 8.5849 8.8804 8.8804 9.0821 9.0821 9.2221 9.2221 9.6793 9.6793 9.8536 9.8536 10.3435 10.3435 k = 0.3148 0.1453 0.0000 ( 2665 PWs) bands (ev): -8.7585 -8.7585 -7.5344 -7.5344 -4.1332 -4.1332 -3.9288 -3.9288 -2.0828 -2.0828 -0.5745 -0.5745 -0.5065 -0.5065 1.3874 1.3874 2.2466 2.2466 2.7127 2.7127 4.0823 4.0823 4.3970 4.3970 4.5848 4.5848 6.4449 6.4449 7.2330 7.2330 8.0556 8.0556 8.5815 8.5815 8.8414 8.8414 9.0760 9.0760 9.1873 9.1873 9.6966 9.6966 9.7911 9.7911 10.3429 10.3429 k = 0.2963 0.1368 0.0000 ( 2665 PWs) bands (ev): -8.7925 -8.7925 -7.4599 -7.4599 -4.1457 -4.1457 -4.0068 -4.0068 -2.0692 -2.0692 -0.5805 -0.5805 -0.4842 -0.4842 1.3156 1.3156 2.3745 2.3745 2.7322 2.7322 4.0499 4.0499 4.5041 4.5041 4.5237 4.5237 6.4722 6.4722 7.3016 7.3016 7.9645 7.9645 8.5766 8.5766 8.7934 8.7934 9.0709 9.0709 9.1523 9.1523 9.7130 9.7130 9.7261 9.7261 10.3430 10.3430 k = 0.2778 0.1282 0.0000 ( 2671 PWs) bands (ev): -8.8249 -8.8249 -7.3837 -7.3837 -4.1959 -4.1959 -4.0480 -4.0480 -2.0624 -2.0624 -0.5804 -0.5804 -0.4598 -0.4598 1.2429 1.2429 2.5072 2.5072 2.7533 2.7533 4.0166 4.0166 4.4616 4.4616 4.6151 4.6151 6.4965 6.4965 7.3705 7.3705 7.8725 7.8725 8.5696 8.5696 8.7349 8.7349 9.0658 9.0658 9.1209 9.1209 9.6589 9.6589 9.7283 9.7283 10.3438 10.3438 k = 0.2593 0.1197-0.0000 ( 2671 PWs) bands (ev): -8.8553 -8.8553 -7.3059 -7.3059 -4.2805 -4.2805 -4.0553 -4.0553 -2.0621 -2.0621 -0.5745 -0.5745 -0.4334 -0.4334 1.1698 1.1698 2.6441 2.6441 2.7760 2.7760 3.9830 3.9830 4.3992 4.3992 4.7293 4.7293 6.5156 6.5156 7.4388 7.4388 7.7827 7.7827 8.5602 8.5602 8.6650 8.6650 9.0559 9.0559 9.1001 9.1001 9.5913 9.5913 9.7418 9.7418 10.3454 10.3454 k = 0.2407 0.1111 0.0000 ( 2669 PWs) bands (ev): -8.8839 -8.8839 -7.2268 -7.2268 -4.3770 -4.3770 -4.0509 -4.0509 -2.0676 -2.0676 -0.5634 -0.5634 -0.4050 -0.4050 1.0969 1.0969 2.7843 2.7843 2.8002 2.8002 3.9495 3.9495 4.3368 4.3368 4.8461 4.8461 6.5264 6.5264 7.5054 7.5054 7.6987 7.6987 8.5477 8.5477 8.5838 8.5838 9.0370 9.0370 9.0951 9.0951 9.5241 9.5241 9.7532 9.7532 10.3476 10.3476 k = 0.2222 0.1026-0.0000 ( 2669 PWs) bands (ev): -8.9105 -8.9105 -7.1465 -7.1465 -4.4771 -4.4771 -4.0425 -4.0425 -2.0780 -2.0780 -0.5480 -0.5480 -0.3748 -0.3748 1.0244 1.0244 2.8255 2.8255 2.9271 2.9271 3.9166 3.9166 4.2751 4.2751 4.9650 4.9650 6.5250 6.5250 7.5686 7.5686 7.6261 7.6261 8.4926 8.4926 8.5315 8.5315 9.0154 9.0154 9.1005 9.1005 9.4586 9.4586 9.7619 9.7619 10.3503 10.3503 k = 0.2037 0.0940 0.0000 ( 2669 PWs) bands (ev): -8.9350 -8.9350 -7.0654 -7.0654 -4.5783 -4.5783 -4.0326 -4.0326 -2.0922 -2.0922 -0.5293 -0.5293 -0.3427 -0.3427 0.9527 0.9527 2.8520 2.8520 3.0716 3.0716 3.8848 3.8848 4.2143 4.2143 5.0853 5.0853 6.5076 6.5076 7.5633 7.5633 7.6337 7.6337 8.3932 8.3932 8.5108 8.5108 8.9951 8.9951 9.1120 9.1120 9.3960 9.3960 9.7678 9.7678 10.3401 10.3401 k = 0.1852 0.0855 0.0000 ( 2673 PWs) bands (ev): -8.9576 -8.9576 -6.9838 -6.9838 -4.6794 -4.6794 -4.0221 -4.0221 -2.1091 -2.1091 -0.5083 -0.5083 -0.3089 -0.3089 0.8822 0.8822 2.8794 2.8794 3.2168 3.2168 3.8547 3.8547 4.1550 4.1550 5.2063 5.2063 6.4708 6.4708 7.5238 7.5238 7.6904 7.6904 8.2874 8.2874 8.4851 8.4851 8.9770 8.9770 9.1285 9.1285 9.3375 9.3375 9.7702 9.7702 10.3260 10.3260 k = 0.1667 0.0769 0.0000 ( 2673 PWs) bands (ev): -8.9780 -8.9780 -6.9021 -6.9021 -4.7792 -4.7792 -4.0115 -4.0115 -2.1277 -2.1277 -0.4860 -0.4860 -0.2734 -0.2734 0.8131 0.8131 2.9075 2.9075 3.3613 3.3613 3.8271 3.8271 4.0976 4.0976 5.3273 5.3273 6.4139 6.4139 7.5039 7.5039 7.7433 7.7433 8.1773 8.1773 8.4538 8.4538 8.9613 8.9613 9.1496 9.1496 9.2842 9.2842 9.7689 9.7689 10.3131 10.3131 k = 0.1481 0.0684 0.0000 ( 2683 PWs) bands (ev): -8.9964 -8.9964 -6.8210 -6.8210 -4.8772 -4.8772 -4.0011 -4.0011 -2.1470 -2.1470 -0.4634 -0.4634 -0.2366 -0.2366 0.7458 0.7458 2.9359 2.9359 3.5026 3.5026 3.8037 3.8037 4.0426 4.0426 5.4474 5.4474 6.3384 6.3384 7.5036 7.5036 7.7913 7.7913 8.0647 8.0647 8.4165 8.4165 8.9476 8.9476 9.1748 9.1748 9.2373 9.2373 9.7636 9.7636 10.3014 10.3014 k = 0.1296 0.0598-0.0000 ( 2675 PWs) bands (ev): -9.0126 -9.0126 -6.7410 -6.7410 -4.9722 -4.9722 -3.9912 -3.9912 -2.1660 -2.1660 -0.4415 -0.4415 -0.1986 -0.1986 0.6807 0.6807 2.9641 2.9641 3.6323 3.6323 3.7923 3.7923 3.9907 3.9907 5.5655 5.5655 6.2484 6.2484 7.5199 7.5199 7.8338 7.8338 7.9517 7.9517 8.3735 8.3735 8.9358 8.9358 9.1916 9.1916 9.2095 9.2095 9.7542 9.7542 10.2912 10.2912 k = 0.1111 0.0513-0.0000 ( 2681 PWs) bands (ev): -9.0267 -9.0267 -6.6634 -6.6634 -5.0632 -5.0632 -3.9821 -3.9821 -2.1841 -2.1841 -0.4209 -0.4209 -0.1599 -0.1599 0.6183 0.6183 2.9916 2.9916 3.7057 3.7057 3.8355 3.8355 3.9427 3.9427 5.6800 5.6800 6.1491 6.1491 7.5493 7.5493 7.8396 7.8396 7.8715 7.8715 8.3252 8.3252 8.9259 8.9259 9.1607 9.1607 9.2393 9.2393 9.7405 9.7405 10.2822 10.2822 k = 0.0926 0.0427-0.0000 ( 2677 PWs) bands (ev): -9.0386 -9.0386 -6.5896 -6.5896 -5.1485 -5.1485 -3.9740 -3.9740 -2.2006 -2.2006 -0.4024 -0.4024 -0.1210 -0.1210 0.5592 0.5592 3.0177 3.0177 3.7082 3.7082 3.8970 3.8970 3.9485 3.9485 5.7887 5.7887 6.0457 6.0457 7.5883 7.5883 7.7333 7.7333 7.9022 7.9022 8.2728 8.2728 8.9176 8.9176 9.1333 9.1333 9.2747 9.2747 9.7229 9.7229 10.2746 10.2746 k = 0.0741 0.0342 0.0000 ( 2683 PWs) bands (ev): -9.0484 -9.0484 -6.5215 -6.5215 -5.2261 -5.2261 -3.9671 -3.9671 -2.2148 -2.2148 -0.3865 -0.3865 -0.0829 -0.0829 0.5046 0.5046 3.0414 3.0414 3.6975 3.6975 3.8596 3.8596 4.0650 4.0650 5.8883 5.8883 5.9446 5.9446 7.6330 7.6330 7.6347 7.6347 7.9275 7.9275 8.2177 8.2177 8.9109 8.9109 9.1117 9.1117 9.3114 9.3114 9.7020 9.7020 10.2684 10.2684 k = 0.0556 0.0256 0.0000 ( 2677 PWs) bands (ev): -9.0560 -9.0560 -6.4620 -6.4620 -5.2930 -5.2930 -3.9615 -3.9615 -2.2264 -2.2264 -0.3736 -0.3736 -0.0473 -0.0473 0.4560 0.4560 3.0617 3.0617 3.6868 3.6868 3.8280 3.8280 4.1710 4.1710 5.8505 5.8505 5.9768 5.9768 7.5472 7.5472 7.6815 7.6815 7.9472 7.9472 8.1625 8.1625 8.9057 8.9057 9.0956 9.0956 9.3474 9.3474 9.6792 9.6792 10.2635 10.2635 k = 0.0370 0.0171 0.0000 ( 2675 PWs) bands (ev): -9.0614 -9.0614 -6.4148 -6.4148 -5.3455 -5.3455 -3.9574 -3.9574 -2.2349 -2.2349 -0.3642 -0.3642 -0.0168 -0.0168 0.4163 0.4163 3.0774 3.0774 3.6785 3.6785 3.8042 3.8042 4.2568 4.2568 5.7739 5.7739 6.0462 6.0462 7.4779 7.4779 7.7277 7.7277 7.9616 7.9616 8.1111 8.1111 8.9020 8.9020 9.0846 9.0846 9.3795 9.3795 9.6568 9.6568 10.2600 10.2600 k = 0.0185 0.0085 0.0000 ( 2675 PWs) bands (ev): -9.0647 -9.0647 -6.3841 -6.3841 -5.3795 -5.3795 -3.9549 -3.9549 -2.2401 -2.2401 -0.3584 -0.3584 0.0045 0.0045 0.3894 0.3894 3.0874 3.0874 3.6734 3.6734 3.7892 3.7892 4.3135 4.3135 5.7225 5.7225 6.0915 6.0915 7.4326 7.4326 7.7642 7.7642 7.9709 7.9709 8.0707 8.0707 8.8998 8.8998 9.0781 9.0781 9.4032 9.4032 9.6393 9.6393 10.2579 10.2579 k = 0.0000 0.0000 0.0000 ( 2673 PWs) bands (ev): -9.0658 -9.0658 -6.3733 -6.3733 -5.3913 -5.3913 -3.9540 -3.9540 -2.2418 -2.2418 -0.3565 -0.3565 0.0124 0.0124 0.3797 0.3797 3.0908 3.0908 3.6716 3.6716 3.7842 3.7842 4.3335 4.3335 5.7043 5.7043 6.1074 6.1074 7.4168 7.4168 7.7790 7.7790 7.9745 7.9745 8.0542 8.0542 8.8991 8.8991 9.0760 9.0760 9.4122 9.4122 9.6324 9.6324 10.2572 10.2573 k = 0.0000 0.0000 0.0000 ( 2673 PWs) bands (ev): -9.0658 -9.0658 -6.3733 -6.3733 -5.3913 -5.3913 -3.9540 -3.9540 -2.2418 -2.2418 -0.3565 -0.3565 0.0124 0.0124 0.3797 0.3797 3.0908 3.0908 3.6716 3.6716 3.7842 3.7842 4.3335 4.3335 5.7043 5.7043 6.1074 6.1074 7.4168 7.4168 7.7790 7.7790 7.9745 7.9745 8.0542 8.0542 8.8991 8.8991 9.0760 9.0760 9.4122 9.4122 9.6324 9.6324 10.2573 10.2573 k = 0.0069-0.0150 0.0128 ( 2671 PWs) bands (ev): -9.0648 -9.0648 -6.3726 -6.3726 -5.3913 -5.3913 -3.9579 -3.9579 -2.2476 -2.2476 -0.3665 -0.3665 0.0304 0.0304 0.3845 0.3845 3.0918 3.0918 3.6686 3.6686 3.7854 3.7854 4.3341 4.3341 5.6934 5.6934 6.1168 6.1168 7.4190 7.4190 7.7809 7.7809 7.9687 7.9687 8.0464 8.0464 8.9051 8.9051 9.0767 9.0767 9.4053 9.4053 9.6234 9.6234 10.2718 10.2718 k = 0.0138-0.0299 0.0256 ( 2679 PWs) bands (ev): -9.0619 -9.0619 -6.3704 -6.3704 -5.3916 -5.3916 -3.9694 -3.9694 -2.2648 -2.2648 -0.3918 -0.3918 0.0795 0.0795 0.3989 0.3989 3.0945 3.0945 3.6596 3.6596 3.7891 3.7891 4.3360 4.3360 5.6633 5.6633 6.1425 6.1425 7.4257 7.4257 7.7867 7.7867 7.9514 7.9514 8.0238 8.0238 8.9227 8.9227 9.0787 9.0787 9.3848 9.3848 9.5992 9.5992 10.3123 10.3123 k = 0.0207-0.0449 0.0384 ( 2679 PWs) bands (ev): -9.0571 -9.0571 -6.3668 -6.3668 -5.3920 -5.3920 -3.9884 -3.9884 -2.2927 -2.2927 -0.4242 -0.4242 0.1508 0.1508 0.4227 0.4227 3.0990 3.0990 3.6447 3.6447 3.7952 3.7952 4.3392 4.3392 5.6195 5.6195 6.1789 6.1789 7.4366 7.4366 7.7959 7.7959 7.9234 7.9234 7.9879 7.9879 8.9505 8.9505 9.0815 9.0815 9.3517 9.3517 9.5661 9.5661 10.3556 10.3556 k = 0.0276-0.0599 0.0512 ( 2685 PWs) bands (ev): -9.0503 -9.0503 -6.3618 -6.3618 -5.3927 -5.3927 -4.0145 -4.0145 -2.3301 -2.3301 -0.4580 -0.4580 0.2377 0.2377 0.4556 0.4556 3.1054 3.1054 3.6241 3.6241 3.8038 3.8038 4.3437 4.3437 5.5670 5.5670 6.2214 6.2214 7.4515 7.4515 7.8066 7.8066 7.8869 7.8869 7.9407 7.9407 8.9866 8.9866 9.0843 9.0843 9.3072 9.3072 9.5299 9.5299 10.3346 10.3346 k = 0.0345-0.0748 0.0640 ( 2687 PWs) bands (ev): -9.0416 -9.0416 -6.3553 -6.3553 -5.3937 -5.3937 -4.0473 -4.0473 -2.3758 -2.3758 -0.4908 -0.4908 0.3362 0.3362 0.4971 0.4971 3.1135 3.1135 3.5979 3.5979 3.8148 3.8148 4.3497 4.3497 5.5087 5.5087 6.2669 6.2669 7.4702 7.4702 7.8040 7.8040 7.8573 7.8573 7.8845 7.8845 9.0294 9.0294 9.0863 9.0863 9.2527 9.2527 9.4949 9.4949 10.3080 10.3080 k = 0.0414-0.0898 0.0768 ( 2679 PWs) bands (ev): -9.0310 -9.0310 -6.3476 -6.3476 -5.3952 -5.3952 -4.0864 -4.0864 -2.4281 -2.4281 -0.5214 -0.5214 0.4440 0.4440 0.5467 0.5467 3.1235 3.1235 3.5666 3.5666 3.8283 3.8283 4.3572 4.3572 5.4470 5.4470 6.3135 6.3135 7.4924 7.4924 7.7589 7.7589 7.8203 7.8203 7.8652 7.8652 9.0750 9.0750 9.0889 9.0889 9.1899 9.1899 9.4634 9.4634 10.2764 10.2764 k = 0.0484-0.1048 0.0896 ( 2683 PWs) bands (ev): -9.0185 -9.0185 -6.3386 -6.3386 -5.3972 -5.3972 -4.1311 -4.1311 -2.4857 -2.4857 -0.5499 -0.5499 0.5594 0.5594 0.6039 0.6039 3.1351 3.1351 3.5303 3.5303 3.8442 3.8442 4.3663 4.3663 5.3829 5.3829 6.3600 6.3600 7.5176 7.5176 7.6936 7.6936 7.7503 7.7503 7.8885 7.8885 9.0799 9.0799 9.1196 9.1196 9.1340 9.1340 9.4368 9.4368 10.2400 10.2400 k = 0.0553-0.1197 0.1024 ( 2681 PWs) bands (ev): -9.0042 -9.0042 -6.3283 -6.3283 -5.3999 -5.3999 -4.1809 -4.1809 -2.5470 -2.5470 -0.5764 -0.5764 0.6678 0.6678 0.6815 0.6815 3.1484 3.1484 3.4896 3.4896 3.8626 3.8626 4.3769 4.3769 5.3174 5.3174 6.4058 6.4058 7.5451 7.5451 7.6196 7.6196 7.6750 7.6750 7.9176 7.9176 9.0397 9.0397 9.0780 9.0780 9.1894 9.1894 9.4155 9.4155 10.1995 10.1995 k = 0.0622-0.1347 0.1152 ( 2683 PWs) bands (ev): -8.9880 -8.9880 -6.3170 -6.3170 -5.4034 -5.4034 -4.2351 -4.2351 -2.6107 -2.6107 -0.6012 -0.6012 0.7382 0.7382 0.8090 0.8090 3.1634 3.1634 3.4450 3.4450 3.8834 3.8834 4.3892 4.3892 5.2511 5.2511 6.4505 6.4505 7.5351 7.5351 7.5783 7.5783 7.5961 7.5961 7.9506 7.9506 8.9602 8.9602 9.0650 9.0650 9.2492 9.2492 9.3996 9.3996 10.1553 10.1553 k = 0.0691-0.1497 0.1280 ( 2683 PWs) bands (ev): -8.9700 -8.9700 -6.3046 -6.3046 -5.4079 -5.4079 -4.2930 -4.2930 -2.6754 -2.6754 -0.6247 -0.6247 0.8140 0.8140 0.9414 0.9414 3.1800 3.1800 3.3968 3.3968 3.9066 3.9066 4.4030 4.4030 5.1844 5.1844 6.4937 6.4937 7.4499 7.4499 7.5124 7.5124 7.6106 7.6106 7.9870 7.9870 8.8755 8.8755 9.0480 9.0480 9.3113 9.3113 9.3891 9.3891 10.1080 10.1080 k = 0.0760-0.1646 0.1408 ( 2675 PWs) bands (ev): -8.9502 -8.9502 -6.2914 -6.2914 -5.4137 -5.4137 -4.3540 -4.3540 -2.7401 -2.7401 -0.6472 -0.6472 0.8946 0.8946 1.0780 1.0780 3.1980 3.1980 3.3459 3.3459 3.9323 3.9323 4.4184 4.4184 5.1178 5.1178 6.5352 6.5352 7.3594 7.3594 7.4268 7.4268 7.6452 7.6452 8.0260 8.0260 8.7876 8.7876 9.0259 9.0259 9.3696 9.3696 9.3892 9.3892 10.0582 10.0582 k = 0.0829-0.1796 0.1536 ( 2675 PWs) bands (ev): -8.9287 -8.9287 -6.2774 -6.2774 -5.4208 -5.4208 -4.4174 -4.4174 -2.8037 -2.8037 -0.6691 -0.6691 0.9793 0.9793 1.2182 1.2182 3.2173 3.2173 3.2929 3.2929 3.9603 3.9603 4.4352 4.4352 5.0515 5.0515 6.5748 6.5748 7.2656 7.2656 7.3390 7.3390 7.6819 7.6819 8.0671 8.0671 8.6970 8.6970 8.9986 8.9986 9.3778 9.3778 9.4447 9.4447 10.0066 10.0066 k = 0.0898-0.1946 0.1664 ( 2667 PWs) bands (ev): -8.9055 -8.9055 -6.2630 -6.2630 -5.4296 -5.4296 -4.4826 -4.4826 -2.8654 -2.8654 -0.6906 -0.6906 1.0673 1.0673 1.3615 1.3615 3.2300 3.2300 3.2461 3.2461 3.9908 3.9908 4.4534 4.4534 4.9859 4.9859 6.6119 6.6119 7.1695 7.1695 7.2496 7.2496 7.7201 7.7201 8.1098 8.1098 8.6045 8.6045 8.9662 8.9662 9.3798 9.3798 9.5109 9.5109 9.9538 9.9538 k = 0.0967-0.2095 0.1793 ( 2667 PWs) bands (ev): -8.8805 -8.8805 -6.2483 -6.2483 -5.4402 -5.4402 -4.5488 -4.5488 -2.9243 -2.9243 -0.7120 -0.7120 1.1577 1.1577 1.5074 1.5074 3.1802 3.1802 3.2623 3.2623 4.0237 4.0237 4.4730 4.4730 4.9211 4.9211 6.6461 6.6461 7.0719 7.0719 7.1596 7.1596 7.7599 7.7599 8.1533 8.1533 8.5106 8.5106 8.9292 8.9292 9.3843 9.3843 9.5776 9.5776 9.9007 9.9007 k = 0.1036-0.2245 0.1921 ( 2661 PWs) bands (ev): -8.8540 -8.8540 -6.2337 -6.2337 -5.4528 -5.4528 -4.6153 -4.6153 -2.9798 -2.9798 -0.7334 -0.7334 1.2497 1.2497 1.6555 1.6555 3.1244 3.1244 3.2855 3.2855 4.0589 4.0589 4.4938 4.4938 4.8573 4.8573 6.6757 6.6757 6.9736 6.9736 7.0703 7.0703 7.8010 7.8010 8.1969 8.1969 8.4156 8.4156 8.8882 8.8882 9.3914 9.3914 9.6436 9.6436 9.8481 9.8481 k = 0.1105-0.2395 0.2049 ( 2665 PWs) bands (ev): -8.8259 -8.8259 -6.2195 -6.2195 -5.4675 -5.4675 -4.6814 -4.6814 -3.0312 -3.0312 -0.7550 -0.7550 1.3423 1.3423 1.8054 1.8054 3.0693 3.0693 3.3099 3.3099 4.0965 4.0965 4.5156 4.5156 4.7947 4.7947 6.6974 6.6974 6.8753 6.8753 6.9854 6.9854 7.8431 7.8431 8.2395 8.2395 8.3203 8.3203 8.8439 8.8439 9.4005 9.4005 9.7072 9.7072 9.7979 9.7979 k = 0.1174-0.2544 0.2177 ( 2667 PWs) bands (ev): -8.7964 -8.7964 -6.2062 -6.2062 -5.4846 -5.4846 -4.7463 -4.7463 -3.0780 -3.0780 -0.7768 -0.7768 1.4341 1.4341 1.9566 1.9566 3.0160 3.0160 3.3354 3.3354 4.1365 4.1365 4.5384 4.5384 4.7336 4.7336 6.7009 6.7009 6.7780 6.7780 6.9145 6.9145 7.8861 7.8861 8.2225 8.2225 8.2827 8.2827 8.7970 8.7970 9.4111 9.4111 9.7386 9.7386 9.7799 9.7799 k = 0.1243-0.2694 0.2305 ( 2663 PWs) bands (ev): -8.7654 -8.7654 -6.1944 -6.1944 -5.5040 -5.5040 -4.8091 -4.8091 -3.1198 -3.1198 -0.7991 -0.7991 1.5238 1.5238 2.1088 2.1088 2.9662 2.9662 3.3617 3.3617 4.1788 4.1788 4.5619 4.5619 4.6742 4.6742 6.6641 6.6641 6.6856 6.6856 6.8764 6.8764 7.9295 7.9295 8.1269 8.1269 8.3212 8.3212 8.7485 8.7485 9.4227 9.4227 9.6975 9.6975 9.8348 9.8348 k = 0.1312-0.2844 0.2433 ( 2663 PWs) bands (ev): -8.7331 -8.7331 -6.1846 -6.1846 -5.5258 -5.5258 -4.8690 -4.8690 -3.1562 -3.1562 -0.8218 -0.8218 1.6093 1.6093 2.2614 2.2614 2.9217 2.9217 3.3886 3.3886 4.2235 4.2235 4.5856 4.5856 4.6169 4.6169 6.5797 6.5797 6.6041 6.6041 6.8728 6.8728 7.9729 7.9729 8.0310 8.0310 8.3569 8.3569 8.6992 8.6992 9.4346 9.4346 9.6564 9.6564 9.8904 9.8904 k = 0.1382-0.2993 0.2561 ( 2655 PWs) bands (ev): -8.6996 -8.6996 -6.1776 -6.1776 -5.5500 -5.5500 -4.9249 -4.9249 -3.1870 -3.1870 -0.8449 -0.8449 1.6883 1.6883 2.4140 2.4140 2.8848 2.8848 3.4158 3.4158 4.2704 4.2704 4.5597 4.5597 4.6117 4.6117 6.4865 6.4865 6.5140 6.5140 6.8847 6.8847 7.9343 7.9343 8.0169 8.0169 8.3888 8.3888 8.6499 8.6499 9.4463 9.4463 9.6205 9.6205 9.9421 9.9421 k = 0.1451-0.3143 0.2689 ( 2649 PWs) bands (ev): -8.6650 -8.6650 -6.1744 -6.1744 -5.5765 -5.5765 -4.9757 -4.9757 -3.2120 -3.2120 -0.8686 -0.8686 1.7577 1.7577 2.5660 2.5660 2.8587 2.8587 3.4432 3.4432 4.3197 4.3197 4.5063 4.5063 4.6364 4.6364 6.3934 6.3934 6.4180 6.4180 6.9009 6.9009 7.8391 7.8391 8.0586 8.0586 8.4161 8.4161 8.6016 8.6016 9.4567 9.4567 9.5913 9.5913 9.9890 9.9890 k = 0.1520-0.3293 0.2817 ( 2655 PWs) bands (ev): -8.6294 -8.6294 -6.1757 -6.1757 -5.6051 -5.6051 -5.0204 -5.0204 -3.2313 -3.2313 -0.8928 -0.8928 1.8141 1.8141 2.7167 2.7167 2.8466 2.8466 3.4705 3.4705 4.3709 4.3709 4.4552 4.4552 4.6615 4.6615 6.2987 6.2987 6.3224 6.3224 6.9171 6.9171 7.7443 7.7443 8.0979 8.0979 8.4389 8.4389 8.5551 8.5551 9.4650 9.4650 9.5699 9.5699 10.0304 10.0304 k = 0.1589-0.3442 0.2945 ( 2631 PWs) bands (ev): -8.5929 -8.5929 -6.1825 -6.1825 -5.6355 -5.6355 -5.0580 -5.0580 -3.2447 -3.2447 -0.9174 -0.9174 1.8542 1.8542 2.8515 2.8515 2.8658 2.8658 3.4974 3.4974 4.4037 4.4037 4.4277 4.4277 4.6865 4.6865 6.1986 6.1986 6.2330 6.2330 6.9318 6.9318 7.6502 7.6502 8.1329 8.1329 8.4578 8.4578 8.5117 8.5117 9.4702 9.4702 9.5572 9.5572 10.0661 10.0661 k = 0.1658-0.3592 0.3073 ( 2635 PWs) bands (ev): -8.5557 -8.5557 -6.1955 -6.1955 -5.6675 -5.6675 -5.0875 -5.0875 -3.2524 -3.2524 -0.9425 -0.9425 1.8761 1.8761 2.8762 2.8762 3.0110 3.0110 3.5234 3.5234 4.3601 4.3601 4.4818 4.4818 4.7110 4.7110 6.0940 6.0940 6.1502 6.1502 6.9439 6.9439 7.5571 7.5571 8.1608 8.1608 8.4644 8.4644 8.4826 8.4826 9.4713 9.4713 9.5530 9.5530 10.0957 10.0957 k = 0.1727-0.3742 0.3201 ( 2635 PWs) bands (ev): -8.5180 -8.5180 -6.2152 -6.2152 -5.7006 -5.7006 -5.1083 -5.1083 -3.2546 -3.2546 -0.9681 -0.9681 1.8797 1.8797 2.9198 2.9198 3.1517 3.1517 3.5482 3.5482 4.3188 4.3188 4.5398 4.5398 4.7348 4.7348 5.9876 5.9876 6.0728 6.0728 6.9530 6.9530 7.4651 7.4651 8.1787 8.1787 8.4317 8.4317 8.4985 8.4985 9.4674 9.4674 9.5569 9.5569 10.1194 10.1194 k = 0.1796-0.3891 0.3329 ( 2643 PWs) bands (ev): -8.4800 -8.4800 -6.2418 -6.2418 -5.7345 -5.7345 -5.1201 -5.1201 -3.2514 -3.2514 -0.9941 -0.9941 1.8672 1.8672 2.9805 2.9805 3.2856 3.2856 3.5715 3.5715 4.2825 4.2825 4.6001 4.6001 4.7576 4.7576 5.8805 5.8805 6.0008 6.0008 6.9588 6.9588 7.3742 7.3742 8.1843 8.1843 8.3998 8.3998 8.5230 8.5230 9.4575 9.4575 9.5683 9.5683 10.1372 10.1372 k = 0.1865-0.4041 0.3457 ( 2643 PWs) bands (ev): -8.4418 -8.4418 -6.2750 -6.2750 -5.7686 -5.7686 -5.1231 -5.1231 -3.2432 -3.2432 -1.0205 -1.0205 1.8417 1.8417 3.0551 3.0551 3.4095 3.4095 3.5926 3.5926 4.2531 4.2531 4.6625 4.6625 4.7791 4.7791 5.7743 5.7743 5.9343 5.9343 6.9611 6.9611 7.2848 7.2848 8.1767 8.1767 8.3724 8.3724 8.5542 8.5542 9.4411 9.4411 9.5860 9.5860 10.1494 10.1494 k = 0.1934-0.4190 0.3585 ( 2645 PWs) bands (ev): -8.4038 -8.4038 -6.3144 -6.3144 -5.8024 -5.8024 -5.1176 -5.1176 -3.2301 -3.2301 -1.0471 -1.0471 1.8066 1.8066 3.1402 3.1402 3.5191 3.5191 3.6112 3.6112 4.2334 4.2334 4.7268 4.7268 4.7989 4.7989 5.6702 5.6702 5.8739 5.8739 6.9601 6.9601 7.1968 7.1968 8.1577 8.1577 8.3500 8.3500 8.5916 8.5916 9.4180 9.4180 9.6087 9.6087 10.1565 10.1565 k = 0.2003-0.4340 0.3713 ( 2643 PWs) bands (ev): -8.3662 -8.3662 -6.3591 -6.3591 -5.8355 -5.8355 -5.1045 -5.1045 -3.2126 -3.2126 -1.0739 -1.0739 1.7646 1.7646 3.2330 3.2330 3.6084 3.6084 3.6269 3.6269 4.2268 4.2268 4.7930 4.7930 4.8167 4.8167 5.5705 5.5705 5.8201 5.8201 6.9560 6.9560 7.1105 7.1105 8.1295 8.1295 8.3326 8.3326 8.6340 8.6340 9.3888 9.3888 9.6349 9.6349 10.1590 10.1590 k = 0.2072-0.4490 0.3841 ( 2646 PWs) bands (ev): -8.3293 -8.3293 -6.4085 -6.4085 -5.8671 -5.8671 -5.0844 -5.0844 -3.1908 -3.1908 -1.1008 -1.1008 1.7178 1.7178 3.3313 3.3313 3.6386 3.6386 3.6718 3.6718 4.2355 4.2355 4.8314 4.8314 4.8617 4.8617 5.4783 5.4783 5.7733 5.7733 6.9492 6.9492 7.0261 7.0261 8.0948 8.0948 8.3199 8.3199 8.6799 8.6799 9.3544 9.3544 9.6631 9.6631 10.1574 10.1574 k = 0.2141-0.4639 0.3969 ( 2646 PWs) bands (ev): -8.2934 -8.2934 -6.4615 -6.4615 -5.8968 -5.8968 -5.0582 -5.0582 -3.1652 -3.1652 -1.1278 -1.1278 1.6680 1.6680 3.4334 3.4334 3.6466 3.6466 3.7064 3.7064 4.2569 4.2569 4.8438 4.8438 4.9315 4.9315 5.3982 5.3982 5.7339 5.7339 6.9359 6.9359 6.9484 6.9484 8.0557 8.0557 8.3117 8.3117 8.7282 8.7282 9.3158 9.3158 9.6919 9.6919 10.1526 10.1526 k = 0.2210-0.4789 0.4097 ( 2658 PWs) bands (ev): -8.2589 -8.2589 -6.5173 -6.5173 -5.9239 -5.9239 -5.0266 -5.0266 -3.1361 -3.1361 -1.1547 -1.1547 1.6164 1.6164 3.5381 3.5381 3.6502 3.6502 3.7159 3.7159 4.2809 4.2809 4.8528 4.8528 5.0029 5.0029 5.3363 5.3363 5.7025 5.7025 6.8620 6.8620 6.9322 6.9322 8.0141 8.0141 8.3073 8.3073 8.7782 8.7782 9.2739 9.2739 9.7200 9.7200 10.1451 10.1451 k = 0.2280-0.4939 0.4225 ( 2658 PWs) bands (ev): -8.2260 -8.2260 -6.5753 -6.5753 -5.9479 -5.9479 -4.9904 -4.9904 -3.1037 -3.1037 -1.1814 -1.1814 1.5639 1.5639 3.6440 3.6440 3.6491 3.6491 3.7067 3.7067 4.2934 4.2934 4.8581 4.8581 5.0757 5.0757 5.2997 5.2997 5.6792 5.6792 6.7843 6.7843 6.9222 6.9222 7.9714 7.9714 8.3063 8.3063 8.8293 8.8293 9.2298 9.2298 9.7462 9.7462 10.1359 10.1359 k = 0.2349-0.5088 0.4353 ( 2658 PWs) bands (ev): -8.1953 -8.1953 -6.6348 -6.6348 -5.9682 -5.9682 -4.9503 -4.9503 -3.0685 -3.0685 -1.2077 -1.2077 1.5111 1.5111 3.6429 3.6429 3.6840 3.6840 3.7512 3.7512 4.2832 4.2832 4.8594 4.8594 5.1496 5.1496 5.2931 5.2931 5.6642 5.6642 6.7091 6.7091 6.9135 6.9135 7.9289 7.9289 8.3078 8.3078 8.8811 8.8811 9.1843 9.1843 9.7696 9.7696 10.1258 10.1258 k = 0.2418-0.5238 0.4481 ( 2656 PWs) bands (ev): -8.1671 -8.1671 -6.6953 -6.6953 -5.9841 -5.9841 -4.9067 -4.9067 -3.0308 -3.0308 -1.2335 -1.2335 1.4587 1.4587 3.6318 3.6318 3.6522 3.6522 3.8578 3.8578 4.2467 4.2467 4.8564 4.8564 5.2241 5.2241 5.3156 5.3156 5.6575 5.6575 6.6371 6.6371 6.9071 6.9071 7.8876 7.8876 8.3112 8.3112 8.9333 8.9333 9.1380 9.1380 9.7896 9.7896 10.1153 10.1153 k = 0.2487-0.5388 0.4609 ( 2650 PWs) bands (ev): -8.1416 -8.1416 -6.7563 -6.7563 -5.9953 -5.9953 -4.8601 -4.8601 -2.9908 -2.9908 -1.2587 -1.2587 1.4070 1.4070 3.6108 3.6108 3.6172 3.6172 3.9635 3.9635 4.1879 4.1879 4.8491 4.8491 5.2987 5.2987 5.3605 5.3605 5.6589 5.6589 6.5688 6.5688 6.9046 6.9046 7.8482 7.8482 8.3159 8.3159 8.9859 8.9859 9.0917 9.0917 9.8054 9.8054 10.1054 10.1054 k = 0.2556-0.5537 0.4737 ( 2654 PWs) bands (ev): -8.1193 -8.1193 -6.8174 -6.8174 -6.0011 -6.0011 -4.8109 -4.8109 -2.9490 -2.9490 -1.2830 -1.2830 1.3564 1.3564 3.5630 3.5630 3.5960 3.5960 4.0669 4.0669 4.1150 4.1150 4.8376 4.8376 5.3726 5.3726 5.4189 5.4189 5.6682 5.6682 6.5052 6.5052 6.9075 6.9075 7.8114 7.8114 8.3212 8.3212 9.0387 9.0387 9.0457 9.0457 9.8169 9.8169 10.0965 10.0965 k = 0.2625-0.5687 0.4865 ( 2650 PWs) bands (ev): -8.1004 -8.1004 -6.8783 -6.8783 -6.0013 -6.0013 -4.7595 -4.7595 -2.9056 -2.9056 -1.3063 -1.3063 1.3073 1.3073 3.5048 3.5048 3.5713 3.5713 4.0342 4.0342 4.1686 4.1686 4.8226 4.8226 5.4445 5.4445 5.4824 5.4824 5.6848 5.6848 6.4475 6.4475 6.9176 6.9176 7.7777 7.7777 8.3265 8.3265 9.0006 9.0006 9.0918 9.0918 9.8241 9.8241 10.0893 10.0893 k = 0.2694-0.5837 0.4993 ( 2654 PWs) bands (ev): -8.0852 -8.0852 -6.9388 -6.9388 -5.9954 -5.9954 -4.7062 -4.7062 -2.8611 -2.8611 -1.3284 -1.3284 1.2599 1.2599 3.4348 3.4348 3.5428 3.5428 3.9551 3.9551 4.2637 4.2637 4.8061 4.8061 5.5125 5.5125 5.5443 5.5443 5.7082 5.7082 6.3975 6.3975 6.9367 6.9367 7.7476 7.7476 8.3316 8.3316 8.9567 8.9567 9.1450 9.1450 9.8271 9.8271 10.0841 10.0841 k = 0.2763-0.5986 0.5122 ( 2660 PWs) bands (ev): -8.0738 -8.0738 -6.9987 -6.9987 -5.9833 -5.9833 -4.6513 -4.6513 -2.8159 -2.8159 -1.3489 -1.3489 1.2143 1.2143 3.3512 3.3512 3.5110 3.5110 3.8818 3.8818 4.3488 4.3488 4.7920 4.7920 5.5740 5.5740 5.5997 5.5997 5.7378 5.7378 6.3580 6.3580 6.9663 6.9663 7.7214 7.7214 8.3359 8.3359 8.9144 8.9144 9.1984 9.1984 9.8264 9.8264 10.0814 10.0814 k = 0.2832-0.6136 0.5250 ( 2660 PWs) bands (ev): -8.0661 -8.0661 -7.0577 -7.0577 -5.9648 -5.9648 -4.5949 -4.5949 -2.7703 -2.7703 -1.3677 -1.3677 1.1708 1.1708 3.2538 3.2538 3.4765 3.4765 3.8174 3.8174 4.4152 4.4152 4.7888 4.7888 5.6251 5.6251 5.6451 5.6451 5.7729 5.7729 6.3329 6.3329 7.0075 7.0075 7.6993 7.6993 8.3395 8.3395 8.8741 8.8741 9.2519 9.2519 9.8227 9.8227 10.0814 10.0814 k = 0.2832-0.6136 0.5250 ( 2660 PWs) bands (ev): -8.0661 -8.0661 -7.0577 -7.0577 -5.9648 -5.9648 -4.5949 -4.5949 -2.7703 -2.7703 -1.3677 -1.3677 1.1708 1.1708 3.2538 3.2538 3.4765 3.4765 3.8174 3.8174 4.4152 4.4152 4.7888 4.7888 5.6251 5.6251 5.6451 5.6451 5.7729 5.7729 6.3329 6.3329 7.0075 7.0075 7.6993 7.6993 8.3395 8.3395 8.8741 8.8741 9.2519 9.2519 9.8227 9.8227 10.0814 10.0814 k = 0.2987-0.6002 0.5206 ( 2661 PWs) bands (ev): -8.0691 -8.0691 -7.0364 -7.0364 -5.9697 -5.9697 -4.6195 -4.6195 -2.7800 -2.7800 -1.3682 -1.3682 1.1919 1.1919 3.2893 3.2893 3.4891 3.4891 3.8354 3.8354 4.3949 4.3949 4.7844 4.7844 5.5957 5.5957 5.6349 5.6349 5.7747 5.7747 6.3375 6.3375 6.9918 6.9918 7.7074 7.7074 8.3398 8.3398 8.8904 8.8904 9.2245 9.2245 9.8185 9.8185 10.0954 10.0954 k = 0.3142-0.5868 0.5162 ( 2652 PWs) bands (ev): -8.0738 -8.0738 -7.0135 -7.0135 -5.9693 -5.9693 -4.6536 -4.6536 -2.7779 -2.7779 -1.3816 -1.3816 1.2255 1.2255 3.3239 3.3239 3.5022 3.5022 3.8482 3.8482 4.3713 4.3713 4.7750 4.7750 5.5505 5.5505 5.6319 5.6319 5.7937 5.7937 6.3396 6.3396 6.9771 6.9771 7.7180 7.7180 8.3428 8.3428 8.9126 8.9126 9.1807 9.1807 9.8058 9.8058 10.1338 10.1338 k = 0.3297-0.5735 0.5118 ( 2653 PWs) bands (ev): -8.0796 -8.0796 -6.9901 -6.9901 -5.9630 -5.9630 -4.6965 -4.6965 -2.7647 -2.7647 -1.4071 -1.4071 1.2702 1.2702 3.3573 3.3573 3.5156 3.5156 3.8549 3.8549 4.3456 4.3456 4.7613 4.7613 5.5009 5.5009 5.6350 5.6350 5.8192 5.8192 6.3387 6.3387 6.9638 6.9638 7.7309 7.7309 8.3483 8.3483 8.9400 8.9400 9.1244 9.1244 9.7896 9.7896 10.1878 10.1878 k = 0.3452-0.5601 0.5074 ( 2651 PWs) bands (ev): -8.0862 -8.0862 -6.9671 -6.9671 -5.9506 -5.9506 -4.7472 -4.7472 -2.7412 -2.7412 -1.4433 -1.4433 1.3242 1.3242 3.3891 3.3891 3.5292 3.5292 3.8552 3.8552 4.3189 4.3189 4.7448 4.7448 5.4516 5.4516 5.6431 5.6431 5.8472 5.8472 6.3346 6.3346 6.9518 6.9518 7.7461 7.7461 8.3561 8.3561 8.9722 8.9722 9.0600 9.0600 9.7722 9.7722 10.2514 10.2514 k = 0.3606-0.5467 0.5030 ( 2651 PWs) bands (ev): -8.0932 -8.0932 -6.9452 -6.9452 -5.9319 -5.9319 -4.8044 -4.8044 -2.7085 -2.7085 -1.4888 -1.4888 1.3853 1.3853 3.4185 3.4185 3.5426 3.5426 3.8490 3.8490 4.2922 4.2922 4.7269 4.7269 5.4044 5.4044 5.6547 5.6547 5.8763 5.8763 6.3273 6.3273 6.9412 6.9412 7.7636 7.7636 8.3660 8.3660 8.9896 8.9896 9.0100 9.0100 9.7542 9.7542 10.3209 10.3209 k = 0.3761-0.5333 0.4986 ( 2653 PWs) bands (ev): -8.1002 -8.1002 -6.9250 -6.9250 -5.9068 -5.9068 -4.8669 -4.8669 -2.6677 -2.6677 -1.5420 -1.5420 1.4513 1.4513 3.4447 3.4447 3.5556 3.5556 3.8373 3.8373 4.2661 4.2661 4.7094 4.7094 5.3604 5.3604 5.6682 5.6682 5.9060 5.9060 6.3168 6.3168 6.9321 6.9321 7.7833 7.7833 8.3775 8.3775 8.9197 8.9197 9.0488 9.0488 9.7357 9.7357 10.3937 10.3937 k = 0.3916-0.5199 0.4942 ( 2656 PWs) bands (ev): -8.1070 -8.1070 -6.9070 -6.9070 -5.8754 -5.8754 -4.9332 -4.9332 -2.6201 -2.6201 -1.6012 -1.6012 1.5195 1.5195 3.4664 3.4664 3.5680 3.5680 3.8217 3.8217 4.2411 4.2411 4.6934 4.6934 5.3202 5.3202 5.6823 5.6823 5.9359 5.9359 6.3033 6.3033 6.9244 6.9244 7.8049 7.8049 8.3902 8.3902 8.8496 8.8496 9.0905 9.0905 9.7171 9.7171 10.4345 10.4345 k = 0.4071-0.5065 0.4898 ( 2652 PWs) bands (ev): -8.1132 -8.1132 -6.8915 -6.8915 -5.8382 -5.8382 -5.0020 -5.0020 -2.5669 -2.5669 -1.6651 -1.6651 1.5875 1.5875 3.4820 3.4820 3.5795 3.5795 3.8052 3.8052 4.2175 4.2175 4.6798 4.6798 5.2844 5.2844 5.6961 5.6961 5.9658 5.9658 6.2871 6.2871 6.9180 6.9180 7.8279 7.8279 8.4037 8.4037 8.7817 8.7817 9.1331 9.1331 9.6988 9.6988 10.3951 10.3951 k = 0.4226-0.4932 0.4854 ( 2651 PWs) bands (ev): -8.1188 -8.1188 -6.8786 -6.8786 -5.7957 -5.7957 -5.0720 -5.0720 -2.5094 -2.5094 -1.7321 -1.7321 1.6523 1.6523 3.4901 3.4901 3.5899 3.5899 3.7910 3.7910 4.1957 4.1957 4.6689 4.6689 5.2533 5.2533 5.7087 5.7087 5.9958 5.9958 6.2683 6.2683 6.9129 6.9129 7.8518 7.8518 8.4176 8.4176 8.7177 8.7177 9.1748 9.1748 9.6815 9.6815 10.3549 10.3549 k = 0.4381-0.4798 0.4810 ( 2649 PWs) bands (ev): -8.1236 -8.1236 -6.8682 -6.8682 -5.7492 -5.7492 -5.1415 -5.1415 -2.4490 -2.4490 -1.8005 -1.8005 1.7111 1.7111 3.4904 3.4904 3.5988 3.5988 3.7816 3.7816 4.1760 4.1760 4.6605 4.6605 5.2272 5.2272 5.7196 5.7196 6.0255 6.0255 6.2475 6.2475 6.9089 6.9089 7.8752 7.8752 8.4317 8.4317 8.6592 8.6592 9.2137 9.2137 9.6659 9.6659 10.3172 10.3172 k = 0.4535-0.4664 0.4766 ( 2647 PWs) bands (ev): -8.1274 -8.1274 -6.8603 -6.8603 -5.7005 -5.7005 -5.2083 -5.2083 -2.3878 -2.3878 -1.8682 -1.8682 1.7611 1.7611 3.4845 3.4845 3.6061 3.6061 3.7776 3.7776 4.1591 4.1591 4.6545 4.6545 5.2066 5.2066 5.7283 5.7283 6.0548 6.0548 6.2248 6.2248 6.9059 6.9059 7.8968 7.8968 8.4459 8.4459 8.6073 8.6073 9.2477 9.2477 9.6527 9.6527 10.2843 10.2843 k = 0.4690-0.4530 0.4722 ( 2647 PWs) bands (ev): -8.1302 -8.1302 -6.8548 -6.8548 -5.6530 -5.6530 -5.2688 -5.2688 -2.3293 -2.3293 -1.9313 -1.9313 1.7993 1.7993 3.4760 3.4760 3.6114 3.6114 3.7774 3.7774 4.1460 4.1460 4.6506 4.6506 5.1917 5.1917 5.7347 5.7347 6.0832 6.0832 6.2011 6.2011 6.9039 6.9039 7.9145 7.9145 8.4607 8.4607 8.5635 8.5635 9.2744 9.2744 9.6427 9.6427 10.2585 10.2585 k = 0.4845-0.4396 0.4678 ( 2640 PWs) bands (ev): -8.1319 -8.1319 -6.8516 -6.8516 -5.6143 -5.6143 -5.3153 -5.3153 -2.2816 -2.2816 -1.9819 -1.9819 1.8234 1.8234 3.4690 3.4690 3.6147 3.6147 3.7786 3.7786 4.1376 4.1376 4.6483 4.6483 5.1827 5.1827 5.7386 5.7386 6.1092 6.1092 6.1778 6.1778 6.9027 6.9027 7.9264 7.9264 8.4773 8.4773 8.5285 8.5285 9.2915 9.2915 9.6365 9.6365 10.2419 10.2419 k = 0.5000-0.4263 0.4634 ( 2642 PWs) bands (ev): -8.1325 -8.1325 -6.8505 -6.8505 -5.5981 -5.5981 -5.3341 -5.3341 -2.2613 -2.2613 -2.0031 -2.0031 1.8316 1.8316 3.4663 3.4663 3.6158 3.6158 3.7792 3.7792 4.1347 4.1347 4.6476 4.6476 5.1797 5.1797 5.7399 5.7399 6.1239 6.1239 6.1640 6.1640 6.9023 6.9023 7.9306 7.9306 8.4919 8.4919 8.5075 8.5075 9.2974 9.2974 9.6344 9.6344 10.2362 10.2362 k = 0.5000-0.4263 0.4634 ( 2642 PWs) bands (ev): -8.1325 -8.1325 -6.8505 -6.8505 -5.5981 -5.5981 -5.3341 -5.3341 -2.2613 -2.2613 -2.0031 -2.0031 1.8316 1.8316 3.4663 3.4663 3.6158 3.6158 3.7792 3.7792 4.1347 4.1347 4.6476 4.6476 5.1797 5.1797 5.7399 5.7399 6.1239 6.1239 6.1640 6.1640 6.9023 6.9023 7.9306 7.9306 8.4919 8.4919 8.5075 8.5075 9.2974 9.2974 9.6344 9.6344 10.2362 10.2362 k = 0.4947-0.4147 0.4797 ( 2640 PWs) bands (ev): -8.1315 -8.1315 -6.8497 -6.8497 -5.5971 -5.5971 -5.3332 -5.3332 -2.2623 -2.2623 -2.0029 -2.0029 1.8277 1.8277 3.4666 3.4666 3.5875 3.5875 3.7974 3.7974 4.1240 4.1240 4.6585 4.6585 5.1814 5.1814 5.7180 5.7180 6.1378 6.1378 6.1618 6.1618 6.9137 6.9137 7.9358 7.9358 8.4951 8.4951 8.5055 8.5055 9.2926 9.2926 9.6402 9.6402 10.2309 10.2309 k = 0.4894-0.4032 0.4961 ( 2642 PWs) bands (ev): -8.1283 -8.1283 -6.8474 -6.8474 -5.5942 -5.5942 -5.3304 -5.3304 -2.2654 -2.2654 -2.0026 -2.0026 1.8161 1.8161 3.4676 3.4676 3.5238 3.5238 3.8317 3.8317 4.0927 4.0927 4.6900 4.6900 5.1848 5.1848 5.6635 5.6635 6.1552 6.1552 6.1696 6.1696 6.9477 6.9477 7.9507 7.9507 8.4992 8.4992 8.5048 8.5048 9.2793 9.2793 9.6566 9.6566 10.2156 10.2156 k = 0.4840-0.3917 0.5124 ( 2646 PWs) bands (ev): -8.1230 -8.1230 -6.8436 -6.8436 -5.5893 -5.5893 -5.3258 -5.3258 -2.2705 -2.2705 -2.0020 -2.0020 1.7970 1.7970 3.4440 3.4440 3.4702 3.4702 3.8641 3.8641 4.0430 4.0430 4.7397 4.7397 5.1837 5.1837 5.5969 5.5969 6.1452 6.1452 6.2040 6.2040 7.0031 7.0031 7.9738 7.9738 8.4908 8.4908 8.5196 8.5196 9.2604 9.2604 9.6815 9.6815 10.1915 10.1915 k = 0.4787-0.3802 0.5287 ( 2652 PWs) bands (ev): -8.1157 -8.1157 -6.8383 -6.8383 -5.5825 -5.5825 -5.3194 -5.3194 -2.2778 -2.2778 -2.0012 -2.0012 1.7707 1.7707 3.3577 3.3577 3.4721 3.4721 3.8900 3.8900 3.9776 3.9776 4.8039 4.8039 5.1679 5.1679 5.5369 5.5369 6.1330 6.1330 6.2325 6.2325 7.0777 7.0777 8.0022 8.0022 8.4817 8.4817 8.5387 8.5387 9.2392 9.2392 9.7127 9.7127 10.1604 10.1604 k = 0.4734-0.3686 0.5451 ( 2656 PWs) bands (ev): -8.1062 -8.1062 -6.8315 -6.8315 -5.5738 -5.5738 -5.3111 -5.3111 -2.2872 -2.2872 -2.0002 -2.0002 1.7374 1.7374 3.2664 3.2664 3.4748 3.4748 3.8979 3.8979 3.9112 3.9112 4.8785 4.8785 5.1256 5.1256 5.4985 5.4985 6.1202 6.1202 6.2528 6.2528 7.1681 7.1681 8.0313 8.0313 8.4760 8.4760 8.5604 8.5604 9.2188 9.2188 9.7485 9.7485 10.1240 10.1240 k = 0.4681-0.3571 0.5614 ( 2660 PWs) bands (ev): -8.0946 -8.0946 -6.8233 -6.8233 -5.5631 -5.5631 -5.3010 -5.3010 -2.2989 -2.2989 -1.9992 -1.9992 1.6978 1.6978 3.1723 3.1723 3.4777 3.4777 3.8108 3.8108 3.9247 3.9247 4.9593 4.9593 5.0548 5.0548 5.4856 5.4856 6.1084 6.1084 6.2650 6.2650 7.2706 7.2706 8.0551 8.0551 8.4789 8.4789 8.5823 8.5823 9.2024 9.2024 9.7880 9.7880 10.0837 10.0837 k = 0.4628-0.3456 0.5778 ( 2662 PWs) bands (ev): -8.0810 -8.0810 -6.8135 -6.8135 -5.5506 -5.5506 -5.2891 -5.2891 -2.3130 -2.3130 -1.9981 -1.9981 1.6524 1.6524 3.0765 3.0765 3.4802 3.4802 3.7153 3.7153 3.9353 3.9353 4.9616 4.9616 5.0446 5.0446 5.4904 5.4904 6.0995 6.0995 6.2703 6.2703 7.3817 7.3817 8.0674 8.0674 8.4962 8.4962 8.6019 8.6019 9.1930 9.1930 9.8304 9.8304 10.0407 10.0407 k = 0.4574-0.3341 0.5941 ( 2660 PWs) bands (ev): -8.0653 -8.0653 -6.8023 -6.8023 -5.5361 -5.5361 -5.2754 -5.2754 -2.3296 -2.3296 -1.9971 -1.9971 1.6019 1.6019 2.9798 2.9798 3.4801 3.4801 3.6160 3.6160 3.9430 3.9430 4.8589 4.8589 5.1276 5.1276 5.5041 5.5041 6.0953 6.0953 6.2702 6.2702 7.4985 7.4985 8.0644 8.0644 8.5313 8.5313 8.6164 8.6164 9.1932 9.1932 9.8754 9.8754 9.9958 9.9958 k = 0.4521-0.3225 0.6104 ( 2660 PWs) bands (ev): -8.0475 -8.0475 -6.7898 -6.7898 -5.5198 -5.5198 -5.2598 -5.2598 -2.3488 -2.3488 -1.9962 -1.9962 1.5469 1.5469 2.8826 2.8826 3.4618 3.4618 3.5298 3.5298 3.9488 3.9488 4.7503 4.7503 5.2075 5.2075 5.5210 5.5210 6.0972 6.0972 6.2659 6.2659 7.6185 7.6185 8.0472 8.0472 8.5827 8.5827 8.6245 8.6245 9.2051 9.2051 9.9222 9.9222 9.9496 9.9496 k = 0.4468-0.3110 0.6268 ( 2662 PWs) bands (ev): -8.0277 -8.0277 -6.7758 -6.7758 -5.5017 -5.5017 -5.2425 -5.2425 -2.3708 -2.3708 -1.9955 -1.9955 1.4882 1.4882 2.7852 2.7852 3.3777 3.3777 3.5052 3.5052 3.9530 3.9530 4.6395 4.6395 5.2813 5.2813 5.5379 5.5379 6.1067 6.1067 6.2585 6.2585 7.7397 7.7397 8.0199 8.0199 8.6207 8.6207 8.6518 8.6518 9.2289 9.2289 9.9013 9.9013 9.9713 9.9713 k = 0.4415-0.2995 0.6431 ( 2662 PWs) bands (ev): -8.0058 -8.0058 -6.7605 -6.7605 -5.4817 -5.4817 -5.2233 -5.2233 -2.3957 -2.3957 -1.9952 -1.9952 1.4266 1.4266 2.6877 2.6877 3.2685 3.2685 3.5020 3.5020 3.9563 3.9563 4.5291 4.5291 5.3470 5.3470 5.5531 5.5531 6.1241 6.1241 6.2488 6.2488 7.8599 7.8599 7.9872 7.9872 8.6155 8.6155 8.7252 8.7252 9.2640 9.2640 9.8526 9.8526 10.0203 10.0203 k = 0.4362-0.2880 0.6595 ( 2664 PWs) bands (ev): -7.9820 -7.9820 -6.7439 -6.7439 -5.4600 -5.4600 -5.2024 -5.2024 -2.4236 -2.4236 -1.9954 -1.9954 1.3626 1.3626 2.5905 2.5905 3.1547 3.1547 3.4995 3.4995 3.9589 3.9589 4.4209 4.4209 5.4036 5.4036 5.5655 5.5655 6.1488 6.1488 6.2378 6.2378 7.9500 7.9500 7.9803 7.9803 8.6046 8.6046 8.8062 8.8062 9.3084 9.3084 9.8026 9.8026 10.0681 10.0681 k = 0.4309-0.2764 0.6758 ( 2662 PWs) bands (ev): -7.9561 -7.9561 -6.7261 -6.7261 -5.4365 -5.4365 -5.1797 -5.1797 -2.4547 -2.4547 -1.9962 -1.9962 1.2970 1.2970 2.4938 2.4938 3.0395 3.0395 3.4946 3.4946 3.9610 3.9610 4.3166 4.3166 5.4509 5.4509 5.5741 5.5741 6.1789 6.1789 6.2263 6.2263 7.9200 7.9200 8.0908 8.0908 8.5923 8.5923 8.8916 8.8916 9.3605 9.3605 9.7516 9.7516 10.1119 10.1119 k = 0.4255-0.2649 0.6921 ( 2658 PWs) bands (ev): -7.9283 -7.9283 -6.7070 -6.7070 -5.4114 -5.4114 -5.1552 -5.1552 -2.4890 -2.4890 -1.9978 -1.9978 1.2302 1.2302 2.3978 2.3978 2.9238 2.9238 3.4852 3.4852 3.9628 3.9628 4.2181 4.2181 5.4901 5.4901 5.5785 5.5785 6.2108 6.2108 6.2154 6.2154 7.8938 7.8938 8.1941 8.1941 8.5826 8.5826 8.9796 8.9796 9.4186 9.4186 9.6994 9.6994 10.1482 10.1482 k = 0.4202-0.2534 0.7085 ( 2660 PWs) bands (ev): -7.8986 -7.8986 -6.6868 -6.6868 -5.3846 -5.3846 -5.1290 -5.1290 -2.5267 -2.5267 -2.0004 -2.0004 1.1628 1.1628 2.3028 2.3028 2.8086 2.8086 3.4690 3.4690 3.9643 3.9643 4.1278 4.1278 5.5224 5.5224 5.5784 5.5784 6.2049 6.2049 6.2416 6.2416 7.8764 7.8764 8.2822 8.2822 8.5819 8.5819 9.0690 9.0690 9.4817 9.4817 9.6462 9.6462 10.1726 10.1726 k = 0.4149-0.2419 0.7248 ( 2652 PWs) bands (ev): -7.8669 -7.8669 -6.6655 -6.6655 -5.3563 -5.3563 -5.1010 -5.1010 -2.5678 -2.5678 -2.0041 -2.0041 1.0950 1.0950 2.2095 2.2095 2.6943 2.6943 3.4438 3.4438 3.9656 3.9656 4.0482 4.0482 5.5490 5.5490 5.5744 5.5744 6.1965 6.1965 6.2665 6.2665 7.8705 7.8705 8.3452 8.3452 8.6000 8.6000 9.1586 9.1586 9.5483 9.5483 9.5929 9.5929 10.1823 10.1823 k = 0.4096-0.2303 0.7412 ( 2654 PWs) bands (ev): -7.8334 -7.8334 -6.6432 -6.6432 -5.3264 -5.3264 -5.0713 -5.0713 -2.6124 -2.6124 -2.0091 -2.0091 1.0270 1.0270 2.1182 2.1182 2.5816 2.5816 3.4074 3.4074 3.9648 3.9648 3.9831 3.9831 5.5581 5.5581 5.5794 5.5794 6.1904 6.1904 6.2824 6.2824 7.8783 7.8783 8.3762 8.3762 8.6430 8.6430 9.2472 9.2472 9.5355 9.5355 9.6228 9.6228 10.1769 10.1769 k = 0.4043-0.2188 0.7575 ( 2654 PWs) bands (ev): -7.7981 -7.7981 -6.6199 -6.6199 -5.2951 -5.2951 -5.0399 -5.0399 -2.6604 -2.6604 -2.0157 -2.0157 0.9588 0.9588 2.0295 2.0295 2.4709 2.4709 3.3590 3.3590 3.9261 3.9261 3.9693 3.9693 5.5450 5.5450 5.5998 5.5998 6.1869 6.1869 6.2875 6.2875 7.9010 7.9010 8.3831 8.3831 8.7025 8.7025 9.3308 9.3308 9.4841 9.4841 9.6985 9.6985 10.1590 10.1590 k = 0.3989-0.2073 0.7738 ( 2656 PWs) bands (ev): -7.7609 -7.7609 -6.5957 -6.5957 -5.2624 -5.2624 -5.0068 -5.0068 -2.7118 -2.7118 -2.0240 -2.0240 0.8904 0.8904 1.9442 1.9442 2.3625 2.3625 3.2993 3.2993 3.8856 3.8856 3.9697 3.9697 5.5263 5.5263 5.6204 5.6204 6.1862 6.1862 6.2811 6.2811 7.9385 7.9385 8.3778 8.3778 8.7660 8.7660 9.3765 9.3765 9.4676 9.4676 9.7786 9.7786 10.1322 10.1322 k = 0.3936-0.1958 0.7902 ( 2658 PWs) bands (ev): -7.7221 -7.7221 -6.5707 -6.5707 -5.2285 -5.2285 -4.9720 -4.9720 -2.7665 -2.7665 -2.0343 -2.0343 0.8215 0.8215 1.8630 1.8630 2.2568 2.2568 3.2309 3.2309 3.8548 3.8548 3.9700 3.9700 5.5039 5.5039 5.6400 5.6400 6.1882 6.1882 6.2643 6.2643 7.9899 7.9899 8.3671 8.3671 8.8260 8.8260 9.3369 9.3369 9.5334 9.5334 9.8622 9.8622 10.0998 10.0998 k = 0.3883-0.1842 0.8065 ( 2660 PWs) bands (ev): -7.6815 -7.6815 -6.5451 -6.5451 -5.1934 -5.1934 -4.9355 -4.9355 -2.8244 -2.8244 -2.0468 -2.0468 0.7518 0.7518 1.7866 1.7866 2.1542 2.1542 3.1567 3.1567 3.8309 3.8309 3.9698 3.9698 5.4791 5.4791 5.6583 5.6583 6.1926 6.1926 6.2391 6.2391 8.0534 8.0534 8.3541 8.3541 8.8793 8.8793 9.2773 9.2773 9.6162 9.6162 9.9489 9.9489 10.0650 10.0650 k = 0.3830-0.1727 0.8229 ( 2662 PWs) bands (ev): -7.6393 -7.6393 -6.5188 -6.5188 -5.1572 -5.1572 -4.8975 -4.8975 -2.8852 -2.8852 -2.0616 -2.0616 0.6810 0.6810 1.7158 1.7158 2.0548 2.0548 3.0796 3.0796 3.8109 3.8109 3.9691 3.9691 5.4531 5.4531 5.6743 5.6743 6.1991 6.1991 6.2087 6.2087 8.1268 8.1268 8.3400 8.3400 8.9244 8.9244 9.2133 9.2133 9.7002 9.7002 10.0274 10.0274 10.0404 10.0404 k = 0.3777-0.1612 0.8392 ( 2656 PWs) bands (ev): -7.5955 -7.5955 -6.4919 -6.4919 -5.1201 -5.1201 -4.8578 -4.8578 -2.9488 -2.9488 -2.0789 -2.0789 0.6088 0.6088 1.6512 1.6512 1.9590 1.9590 3.0018 3.0018 3.7923 3.7923 3.9677 3.9677 5.4270 5.4270 5.6866 5.6866 6.1762 6.1762 6.2080 6.2080 8.2076 8.2076 8.3254 8.3254 8.9611 8.9611 9.1468 9.1468 9.7834 9.7834 9.9961 9.9961 10.1286 10.1286 k = 0.3723-0.1497 0.8555 ( 2658 PWs) bands (ev): -7.5503 -7.5503 -6.4647 -6.4647 -5.0823 -5.0823 -4.8166 -4.8166 -3.0148 -3.0148 -2.0990 -2.0990 0.5350 0.5350 1.5932 1.5932 1.8668 1.8668 2.9251 2.9251 3.7733 3.7733 3.9654 3.9654 5.4019 5.4019 5.6929 5.6929 6.1468 6.1468 6.2181 6.2181 8.2872 8.2872 8.3166 8.3166 8.9893 8.9893 9.0789 9.0789 9.8645 9.8645 9.9664 9.9664 10.2188 10.2188 k = 0.3670-0.1381 0.8719 ( 2658 PWs) bands (ev): -7.5036 -7.5036 -6.4371 -6.4371 -5.0439 -5.0439 -4.7738 -4.7738 -3.0829 -3.0829 -2.1220 -2.1220 0.4593 0.4593 1.5423 1.5423 1.7784 1.7784 2.8506 2.8506 3.7524 3.7524 3.9619 3.9619 5.3789 5.3789 5.6904 5.6904 6.1245 6.1245 6.2296 6.2296 8.2874 8.2874 8.3896 8.3896 9.0013 9.0013 9.0184 9.0184 9.9294 9.9294 9.9553 9.9553 10.3079 10.3079 k = 0.3617-0.1266 0.8882 ( 2660 PWs) bands (ev): -7.4557 -7.4557 -6.4094 -6.4094 -5.0050 -5.0050 -4.7295 -4.7295 -3.1528 -3.1528 -2.1480 -2.1480 0.3819 0.3819 1.4986 1.4986 1.6939 1.6939 2.7796 2.7796 3.7286 3.7286 3.9572 3.9572 5.3588 5.3588 5.6768 5.6768 6.1134 6.1134 6.2422 6.2422 8.2683 8.2683 8.4815 8.4815 8.9378 8.9378 9.0266 9.0266 9.9153 9.9153 10.0261 10.0261 10.3946 10.3946 k = 0.3564-0.1151 0.9046 ( 2658 PWs) bands (ev): -7.4065 -7.4065 -6.3816 -6.3816 -4.9661 -4.9661 -4.6837 -4.6837 -3.2240 -3.2240 -2.1771 -2.1771 0.3028 0.3028 1.4620 1.4620 1.6134 1.6134 2.7126 2.7126 3.7011 3.7011 3.9511 3.9511 5.3424 5.3424 5.6517 5.6517 6.1152 6.1152 6.2557 6.2557 8.2458 8.2458 8.5723 8.5723 8.8703 8.8703 9.0356 9.0356 9.8992 9.8992 10.1020 10.1020 10.4775 10.4775 k = 0.3511-0.1036 0.9209 ( 2650 PWs) bands (ev): -7.3563 -7.3563 -6.3538 -6.3538 -4.9272 -4.9272 -4.6365 -4.6365 -3.2960 -3.2960 -2.2093 -2.2093 0.2225 0.2225 1.4322 1.4322 1.5369 1.5369 2.6505 2.6505 3.6695 3.6695 3.9433 3.9433 5.3301 5.3301 5.6169 5.6169 6.1292 6.1292 6.2700 6.2700 8.2200 8.2200 8.6491 8.6491 8.8162 8.8162 9.0410 9.0410 9.8877 9.8877 10.1762 10.1762 10.5552 10.5552 k = 0.3457-0.0920 0.9373 ( 2656 PWs) bands (ev): -7.3051 -7.3051 -6.3263 -6.3263 -4.8888 -4.8888 -4.5879 -4.5879 -3.3684 -3.3684 -2.2447 -2.2447 0.1412 0.1412 1.4088 1.4088 1.4645 1.4645 2.5936 2.5936 3.6334 3.6334 3.9339 3.9339 5.3224 5.3224 5.5751 5.5751 6.1534 6.1534 6.2847 6.2847 8.1905 8.1905 8.6595 8.6595 8.8274 8.8274 9.0442 9.0442 9.8805 9.8805 10.2483 10.2483 10.6261 10.6261 k = 0.3404-0.0805 0.9536 ( 2656 PWs) bands (ev): -7.2532 -7.2532 -6.2991 -6.2991 -4.8513 -4.8513 -4.5379 -4.5379 -3.4404 -3.4404 -2.2833 -2.2833 0.0596 0.0596 1.3878 1.3878 1.3996 1.3996 2.5425 2.5425 3.5928 3.5928 3.9225 3.9225 5.3193 5.3193 5.5295 5.5295 6.1856 6.1856 6.2999 6.2999 8.1570 8.1570 8.6028 8.6028 8.9039 8.9039 9.0467 9.0467 9.8771 9.8771 10.3183 10.3183 10.6888 10.6888 k = 0.3351-0.0690 0.9699 ( 2654 PWs) bands (ev): -7.2007 -7.2007 -6.2723 -6.2723 -4.8150 -4.8150 -4.4868 -4.4868 -3.5116 -3.5116 -2.3249 -2.3249 -0.0217 -0.0217 1.3297 1.3297 1.3813 1.3813 2.4975 2.4975 3.5480 3.5480 3.9093 3.9093 5.3208 5.3208 5.4824 5.4824 6.2240 6.2240 6.3155 6.3155 8.1195 8.1195 8.5302 8.5302 8.9940 8.9940 9.0499 9.0499 9.8768 9.8768 10.3859 10.3859 10.7418 10.7418 k = 0.3298-0.0575 0.9863 ( 2652 PWs) bands (ev): -7.1478 -7.1478 -6.2462 -6.2462 -4.7805 -4.7805 -4.4344 -4.4344 -3.5811 -3.5811 -2.3694 -2.3694 -0.1023 -0.1023 1.2689 1.2689 1.3743 1.3743 2.4589 2.4589 3.4992 3.4992 3.8941 3.8941 5.3265 5.3265 5.4356 5.4356 6.2673 6.2673 6.3312 6.3312 8.0781 8.0781 8.4531 8.4531 9.0520 9.0520 9.0885 9.0885 9.8789 9.8789 10.4512 10.4512 10.7840 10.7840 k = 0.3245-0.0459 1.0026 ( 2654 PWs) bands (ev): -7.0948 -7.0948 -6.2209 -6.2209 -4.7484 -4.7484 -4.3811 -4.3811 -3.6481 -3.6481 -2.4166 -2.4166 -0.1815 -0.1815 1.2117 1.2117 1.3718 1.3718 2.4269 2.4269 3.4469 3.4469 3.8771 3.8771 5.3362 5.3362 5.3903 5.3903 6.3146 6.3146 6.3473 6.3473 8.0333 8.0333 8.3740 8.3740 9.0588 9.0588 9.1796 9.1796 9.8828 9.8828 10.5139 10.5139 10.8145 10.8145 k = 0.3191-0.0344 1.0190 ( 2652 PWs) bands (ev): -7.0420 -7.0420 -6.1964 -6.1964 -4.7194 -4.7194 -4.3267 -4.3267 -3.7117 -3.7117 -2.4663 -2.4663 -0.2587 -0.2587 1.1581 1.1581 1.3730 1.3730 2.4015 2.4015 3.3914 3.3914 3.8583 3.8583 5.3468 5.3468 5.3498 5.3498 6.3613 6.3613 6.3675 6.3675 7.9856 7.9856 8.2937 8.2937 9.0670 9.0670 9.2696 9.2696 9.8878 9.8878 10.5740 10.5740 10.8337 10.8337 k = 0.3138-0.0229 1.0353 ( 2650 PWs) bands (ev): -6.9896 -6.9896 -6.1731 -6.1731 -4.6944 -4.6944 -4.2716 -4.2716 -3.7709 -3.7709 -2.5181 -2.5181 -0.3332 -0.3332 1.1082 1.1082 1.3774 1.3774 2.3829 2.3829 3.3335 3.3335 3.8379 3.8379 5.3075 5.3075 5.3652 5.3652 6.3789 6.3789 6.4197 6.4197 7.9357 7.9357 8.2127 8.2127 9.0772 9.0772 9.3573 9.3573 9.8934 9.8934 10.6313 10.6313 10.8423 10.8423 k = 0.3085-0.0114 1.0516 ( 2648 PWs) bands (ev): -6.9381 -6.9381 -6.1509 -6.1509 -4.6742 -4.6742 -4.2159 -4.2159 -3.8245 -3.8245 -2.5717 -2.5717 -0.4047 -0.4047 1.0619 1.0619 1.3843 1.3843 2.3709 2.3709 3.2736 3.2736 3.8164 3.8164 5.2710 5.2710 5.3832 5.3832 6.3950 6.3950 6.4761 6.4761 7.8845 7.8845 8.1312 8.1312 9.0893 9.0893 9.4420 9.4420 9.8993 9.8993 10.6855 10.6855 10.8420 10.8420 k = 0.3032 0.0001 1.0680 ( 2646 PWs) bands (ev): -6.8879 -6.8879 -6.1301 -6.1301 -4.6596 -4.6596 -4.1598 -4.1598 -3.8715 -3.8715 -2.6267 -2.6267 -0.4724 -0.4724 1.0193 1.0193 1.3931 1.3931 2.3656 2.3656 3.2123 3.2123 3.7941 3.7941 5.2381 5.2381 5.4028 5.4028 6.4110 6.4110 6.5350 6.5350 7.8328 7.8328 8.0495 8.0495 9.1029 9.1029 9.5232 9.5232 9.9050 9.9050 10.7365 10.7365 10.8349 10.8349 k = 0.2979 0.0117 1.0843 ( 2644 PWs) bands (ev): -6.8394 -6.8394 -6.1108 -6.1108 -4.6512 -4.6512 -4.1037 -4.1037 -3.9111 -3.9111 -2.6825 -2.6825 -0.5358 -0.5358 0.9804 0.9804 1.4033 1.4033 2.3666 2.3666 3.1501 3.1501 3.7714 3.7714 5.2088 5.2088 5.4233 5.4233 6.4267 6.4267 6.5960 6.5960 7.7817 7.7817 7.9679 7.9679 9.1178 9.1178 9.6004 9.6004 9.9102 9.9102 10.7835 10.7835 10.8236 10.8236 k = 0.2926 0.0232 1.1007 ( 2646 PWs) bands (ev): -6.7933 -6.7933 -6.0931 -6.0931 -4.6493 -4.6493 -4.0480 -4.0480 -3.9426 -3.9426 -2.7386 -2.7386 -0.5943 -0.5943 0.9453 0.9453 1.4142 1.4142 2.3739 2.3739 3.0876 3.0876 3.7489 3.7489 5.1831 5.1831 5.4440 5.4440 6.4420 6.4420 6.6590 6.6590 7.7319 7.7319 7.8864 7.8864 9.1332 9.1332 9.6730 9.6730 9.9149 9.9149 10.8040 10.8040 10.8320 10.8320 k = 0.2872 0.0347 1.1170 ( 2642 PWs) bands (ev): -6.7502 -6.7502 -6.0772 -6.0772 -4.6532 -4.6532 -3.9932 -3.9932 -3.9663 -3.9663 -2.7943 -2.7943 -0.6475 -0.6475 0.9140 0.9140 1.4254 1.4254 2.3871 2.3871 3.0252 3.0252 3.7272 3.7272 5.1610 5.1610 5.4642 5.4642 6.4568 6.4568 6.7237 6.7237 7.6844 7.6844 7.8055 7.8055 9.1488 9.1488 9.7403 9.7403 9.9190 9.9190 10.7887 10.7887 10.8710 10.8710 k = 0.2819 0.0462 1.1333 ( 2638 PWs) bands (ev): -6.7106 -6.7106 -6.0632 -6.0632 -4.6621 -4.6621 -3.9828 -3.9828 -3.9401 -3.9401 -2.8485 -2.8485 -0.6948 -0.6948 0.8867 0.8867 1.4363 1.4363 2.4060 2.4060 2.9635 2.9635 3.7068 3.7068 5.1424 5.1424 5.4833 5.4833 6.4708 6.4708 6.7900 6.7900 7.6401 7.6401 7.7253 7.7253 9.1639 9.1639 9.8015 9.8015 9.9224 9.9224 10.7719 10.7719 10.9075 10.9075 k = 0.2766 0.0578 1.1497 ( 2638 PWs) bands (ev): -6.6754 -6.6754 -6.0511 -6.0511 -4.6741 -4.6741 -3.9933 -3.9933 -3.8897 -3.8897 -2.9001 -2.9001 -0.7357 -0.7357 0.8634 0.8634 1.4465 1.4465 2.4301 2.4301 2.9029 2.9029 3.6884 3.6884 5.1269 5.1269 5.5006 5.5006 6.4837 6.4837 6.8575 6.8575 7.5995 7.5995 7.6469 7.6469 9.1779 9.1779 9.8553 9.8553 9.9255 9.9255 10.7559 10.7559 10.9398 10.9398 k = 0.2713 0.0693 1.1660 ( 2640 PWs) bands (ev): -6.6453 -6.6453 -6.0411 -6.0411 -4.6874 -4.6874 -3.9993 -3.9993 -3.8435 -3.8435 -2.9475 -2.9475 -0.7699 -0.7699 0.8443 0.8443 1.4555 1.4555 2.4590 2.4590 2.8440 2.8440 3.6725 3.6725 5.1145 5.1145 5.5157 5.5157 6.4951 6.4951 6.9257 6.9257 7.5565 7.5565 7.5775 7.5775 9.1904 9.1904 9.8990 9.8990 9.9303 9.9303 10.7416 10.7416 10.9677 10.9677 k = 0.2660 0.0808 1.1824 ( 2636 PWs) bands (ev): -6.6210 -6.6210 -6.0333 -6.0333 -4.7001 -4.7001 -4.0023 -4.0023 -3.8033 -3.8033 -2.9887 -2.9887 -0.7969 -0.7969 0.8293 0.8293 1.4630 1.4630 2.4923 2.4923 2.7875 2.7875 3.6595 3.6595 5.1051 5.1051 5.5279 5.5279 6.5046 6.5046 6.9939 6.9939 7.4882 7.4882 7.5421 7.5421 9.2007 9.2007 9.9200 9.9200 9.9483 9.9483 10.7299 10.7299 10.9907 10.9907 k = 0.2606 0.0923 1.1987 ( 2634 PWs) bands (ev): -6.6030 -6.6030 -6.0276 -6.0276 -4.7105 -4.7105 -4.0035 -4.0035 -3.7716 -3.7716 -3.0212 -3.0212 -0.8164 -0.8164 0.8185 0.8185 1.4686 1.4686 2.5288 2.5288 2.7343 2.7343 3.6499 3.6499 5.0985 5.0985 5.5370 5.5370 6.5119 6.5119 7.0599 7.0599 7.4176 7.4176 7.5205 7.5205 9.2085 9.2085 9.9238 9.9238 9.9732 9.9732 10.7211 10.7211 11.0082 11.0082 k = 0.2553 0.1039 1.2150 ( 2632 PWs) bands (ev): -6.5920 -6.5920 -6.0242 -6.0242 -4.7172 -4.7172 -4.0039 -4.0039 -3.7511 -3.7511 -3.0423 -3.0423 -0.8282 -0.8282 0.8121 0.8121 1.4720 1.4720 2.5655 2.5655 2.6876 2.6876 3.6440 3.6440 5.0946 5.0946 5.5426 5.5426 6.5163 6.5163 7.1175 7.1175 7.3570 7.3570 7.5075 7.5075 9.2133 9.2133 9.9248 9.9248 9.9897 9.9897 10.7158 10.7158 11.0191 11.0191 k = 0.2500 0.1154 1.2314 ( 2636 PWs) bands (ev): -6.5883 -6.5883 -6.0231 -6.0231 -4.7196 -4.7196 -4.0039 -4.0039 -3.7438 -3.7438 -3.0497 -3.0497 -0.8322 -0.8322 0.8099 0.8099 1.4732 1.4732 2.5863 2.5863 2.6634 2.6634 3.6420 3.6420 5.0933 5.0933 5.5445 5.5445 6.5179 6.5179 7.1450 7.1450 7.3285 7.3285 7.5031 7.5031 9.2150 9.2150 9.9250 9.9250 9.9953 9.9953 10.7139 10.7139 11.0226 11.0226 k = 0.0533-0.1154 1.2314 ( 2648 PWs) bands (ev): -6.6205 -6.6205 -6.0861 -6.0861 -4.8307 -4.8307 -4.0463 -4.0463 -3.6521 -3.6521 -2.8697 -2.8697 -0.7391 -0.7391 1.1709 1.1709 1.2740 1.2740 1.8526 1.8526 3.5955 3.5955 3.8063 3.8063 4.6512 4.6512 5.4193 5.4193 6.1387 6.1387 6.3533 6.3533 8.5041 8.5041 8.5947 8.5947 8.9979 8.9979 9.2262 9.2262 9.7194 9.7194 10.4003 10.4003 10.7018 10.7018 k = 0.0586-0.1270 1.2149 ( 2642 PWs) bands (ev): -6.6401 -6.6401 -6.1066 -6.1066 -4.8370 -4.8370 -4.0499 -4.0499 -3.6611 -3.6611 -2.8235 -2.8235 -0.6982 -0.6982 1.1788 1.1788 1.2916 1.2916 1.8341 1.8341 3.6027 3.6027 3.7666 3.7666 4.6512 4.6512 5.4536 5.4536 6.1918 6.1918 6.3512 6.3512 8.5436 8.5436 8.5935 8.5935 8.9705 8.9705 9.2127 9.2127 9.6624 9.6624 10.4124 10.4124 10.6831 10.6831 k = 0.0640-0.1386 1.1985 ( 2649 PWs) bands (ev): -6.6662 -6.6662 -6.1289 -6.1289 -4.8425 -4.8425 -4.0515 -4.0515 -3.6739 -3.6739 -2.7721 -2.7721 -0.6510 -0.6510 1.1834 1.1834 1.3146 1.3146 1.8224 1.8224 3.6129 3.6129 3.7256 3.7256 4.6483 4.6483 5.4952 5.4952 6.2457 6.2457 6.3499 6.3499 8.5635 8.5635 8.5908 8.5908 8.9651 8.9651 9.1980 9.1980 9.5995 9.5995 10.4310 10.4310 10.6594 10.6594 k = 0.0693-0.1501 1.1821 ( 2649 PWs) bands (ev): -6.6981 -6.6981 -6.1527 -6.1527 -4.8491 -4.8491 -4.0489 -4.0489 -3.6901 -3.6901 -2.7167 -2.7167 -0.5978 -0.5978 1.1848 1.1848 1.3430 1.3430 1.8175 1.8175 3.6258 3.6258 3.6841 3.6841 4.6435 4.6435 5.5431 5.5431 6.2916 6.2916 6.3575 6.3575 8.5620 8.5620 8.5844 8.5844 8.9857 8.9857 9.1827 9.1827 9.5318 9.5318 10.4550 10.4550 10.6310 10.6310 k = 0.0747-0.1617 1.1657 ( 2647 PWs) bands (ev): -6.7350 -6.7350 -6.1780 -6.1780 -4.8587 -4.8587 -4.0402 -4.0402 -3.7093 -3.7093 -2.6584 -2.6584 -0.5392 -0.5392 1.1833 1.1833 1.3767 1.3767 1.8194 1.8194 3.6331 3.6331 3.6514 3.6514 4.6372 4.6372 5.5963 5.5963 6.3081 6.3081 6.3951 6.3951 8.5475 8.5475 8.5693 8.5693 9.0290 9.0290 9.1674 9.1674 9.4602 9.4602 10.4829 10.4829 10.5981 10.5981 k = 0.0800-0.1733 1.1492 ( 2653 PWs) bands (ev): -6.7760 -6.7760 -6.2047 -6.2047 -4.8725 -4.8725 -4.0241 -4.0241 -3.7313 -3.7313 -2.5981 -2.5981 -0.4757 -0.4757 1.1794 1.1794 1.4155 1.4155 1.8276 1.8276 3.5969 3.5969 3.6659 3.6659 4.6304 4.6304 5.6541 5.6541 6.3045 6.3045 6.4524 6.4524 8.5234 8.5234 8.5489 8.5489 9.0873 9.0873 9.1528 9.1528 9.3859 9.3859 10.5129 10.5129 10.5614 10.5614 k = 0.0853-0.1849 1.1328 ( 2651 PWs) bands (ev): -6.8204 -6.8204 -6.2326 -6.2326 -4.8914 -4.8914 -4.0000 -4.0000 -3.7557 -3.7557 -2.5366 -2.5366 -0.4078 -0.4078 1.1740 1.1740 1.4594 1.4594 1.8414 1.8414 3.5560 3.5560 3.6890 3.6890 4.6234 4.6234 5.7155 5.7155 6.2952 6.2952 6.5146 6.5146 8.4930 8.4930 8.5261 8.5261 9.1323 9.1323 9.1612 9.1612 9.3102 9.3102 10.5165 10.5165 10.5487 10.5487 k = 0.0907-0.1965 1.1164 ( 2653 PWs) bands (ev): -6.8675 -6.8675 -6.2615 -6.2615 -4.9155 -4.9155 -3.9680 -3.9680 -3.7821 -3.7821 -2.4747 -2.4747 -0.3361 -0.3361 1.1682 1.1682 1.5082 1.5082 1.8603 1.8603 3.5159 3.5159 3.7156 3.7156 4.6171 4.6171 5.7799 5.7799 6.2833 6.2833 6.5778 6.5778 8.4605 8.4605 8.5004 8.5004 9.1188 9.1188 9.2240 9.2240 9.2441 9.2441 10.4726 10.4726 10.5800 10.5800 k = 0.0960-0.2081 1.0999 ( 2651 PWs) bands (ev): -6.9166 -6.9166 -6.2914 -6.2914 -4.9446 -4.9446 -3.9288 -3.9288 -3.8104 -3.8104 -2.4128 -2.4128 -0.2611 -0.2611 1.1627 1.1627 1.5617 1.5617 1.8837 1.8837 3.4774 3.4774 3.7451 3.7451 4.6121 4.6121 5.8466 5.8466 6.2695 6.2695 6.6406 6.6406 8.4287 8.4287 8.4710 8.4710 9.0949 9.0949 9.1664 9.1664 9.3132 9.3132 10.4240 10.4240 10.6120 10.6120 k = 0.1014-0.2197 1.0835 ( 2655 PWs) bands (ev): -6.9672 -6.9672 -6.3220 -6.3220 -4.9780 -4.9780 -3.8833 -3.8833 -3.8401 -3.8401 -2.3515 -2.3515 -0.1833 -0.1833 1.1585 1.1585 1.6198 1.6198 1.9110 1.9110 3.4411 3.4411 3.7768 3.7768 4.6088 4.6088 5.9150 5.9150 6.2543 6.2543 6.7018 6.7018 8.3994 8.3994 8.4378 8.4378 9.0435 9.0435 9.1284 9.1284 9.3939 9.3939 10.3722 10.3722 10.6423 10.6423 k = 0.1067-0.2313 1.0671 ( 2651 PWs) bands (ev): -7.0188 -7.0188 -6.3533 -6.3533 -5.0149 -5.0149 -3.8710 -3.8710 -3.8326 -3.8326 -2.2912 -2.2912 -0.1034 -0.1034 1.1563 1.1563 1.6824 1.6824 1.9421 1.9421 3.4073 3.4073 3.8103 3.8103 4.6081 4.6081 5.9844 5.9844 6.2379 6.2379 6.7604 6.7604 8.3736 8.3736 8.4009 8.4009 8.9715 8.9715 9.1131 9.1131 9.4760 9.4760 10.3179 10.3179 10.6696 10.6696 k = 0.1121-0.2428 1.0507 ( 2649 PWs) bands (ev): -7.0710 -7.0710 -6.3850 -6.3850 -5.0547 -5.0547 -3.9028 -3.9028 -3.7780 -3.7780 -2.2322 -2.2322 -0.0218 -0.0218 1.1566 1.1566 1.7491 1.7491 1.9767 1.9767 3.3767 3.3767 3.8446 3.8446 4.6106 4.6106 6.0544 6.0544 6.2204 6.2204 6.8153 6.8153 8.3477 8.3477 8.3641 8.3641 8.8955 8.8955 9.1052 9.1052 9.5580 9.5580 10.2619 10.2619 10.6925 10.6925 k = 0.1174-0.2544 1.0342 ( 2649 PWs) bands (ev): -7.1234 -7.1234 -6.4172 -6.4172 -5.0965 -5.0965 -3.9354 -3.9354 -3.7204 -3.7204 -2.1749 -2.1749 0.0607 0.0607 1.1601 1.1601 1.8199 1.8199 2.0148 2.0148 3.3495 3.3495 3.8790 3.8790 4.6170 4.6170 6.1241 6.1241 6.2020 6.2020 6.8657 6.8657 8.3056 8.3056 8.3443 8.3443 8.8204 8.8204 9.1011 9.1011 9.6382 9.6382 10.2057 10.2057 10.7092 10.7092 k = 0.1228-0.2660 1.0178 ( 2647 PWs) bands (ev): -7.1756 -7.1756 -6.4495 -6.4495 -5.1397 -5.1397 -3.9684 -3.9684 -3.6608 -3.6608 -2.1194 -2.1194 0.1437 0.1437 1.1670 1.1670 1.8944 1.8944 2.0564 2.0564 3.3264 3.3264 3.9124 3.9124 4.6281 4.6281 6.1824 6.1824 6.1935 6.1935 6.9105 6.9105 8.2530 8.2530 8.3362 8.3362 8.7479 8.7479 9.1000 9.1000 9.7131 9.7131 10.1523 10.1523 10.7179 10.7179 k = 0.1281-0.2776 1.0014 ( 2651 PWs) bands (ev): -7.2275 -7.2275 -6.4819 -6.4819 -5.1838 -5.1838 -4.0017 -4.0017 -3.6001 -3.6001 -2.0659 -2.0659 0.2265 0.2265 1.1778 1.1778 1.9725 1.9725 2.1015 2.1015 3.3079 3.3079 3.9439 3.9439 4.6446 4.6446 6.1628 6.1628 6.2608 6.2608 6.9488 6.9488 8.1941 8.1941 8.3360 8.3360 8.6791 8.6791 9.1017 9.1017 9.7752 9.7752 10.1094 10.1094 10.7168 10.7168 k = 0.1335-0.2892 0.9849 ( 2647 PWs) bands (ev): -7.2788 -7.2788 -6.5143 -6.5143 -5.2284 -5.2284 -4.0351 -4.0351 -3.5391 -3.5391 -2.0146 -2.0146 0.3085 0.3085 1.1927 1.1927 2.0540 2.0540 2.1504 2.1504 3.2944 3.2944 3.9727 3.9727 4.6669 4.6669 6.1422 6.1422 6.3262 6.3262 6.9802 6.9802 8.1296 8.1296 8.3437 8.3437 8.6147 8.6147 9.1063 9.1063 9.8077 9.8077 10.0933 10.0933 10.7040 10.7040 k = 0.1388-0.3008 0.9685 ( 2649 PWs) bands (ev): -7.3294 -7.3294 -6.5466 -6.5466 -5.2730 -5.2730 -4.0684 -4.0684 -3.4785 -3.4785 -1.9655 -1.9655 0.3890 0.3890 1.2120 1.2120 2.1385 2.1385 2.2029 2.2029 3.2865 3.2865 3.9983 3.9983 4.6952 4.6952 6.1212 6.1212 6.3884 6.3884 7.0041 7.0041 8.0607 8.0607 8.3591 8.3591 8.5546 8.5546 9.1138 9.1138 9.7950 9.7950 10.1194 10.1194 10.6782 10.6782 k = 0.1442-0.3124 0.9521 ( 2643 PWs) bands (ev): -7.3789 -7.3789 -6.5785 -6.5785 -5.3174 -5.3174 -4.1014 -4.1014 -3.4189 -3.4189 -1.9186 -1.9186 0.4674 0.4674 1.2357 1.2357 2.2259 2.2259 2.2593 2.2593 3.2847 3.2847 4.0203 4.0203 4.7294 4.7294 6.0997 6.0997 6.4464 6.4464 7.0206 7.0206 7.9887 7.9887 8.3819 8.3819 8.4987 8.4987 9.1245 9.1245 9.7474 9.7474 10.1775 10.1775 10.6389 10.6389 k = 0.1495-0.3239 0.9357 ( 2647 PWs) bands (ev): -7.4273 -7.4273 -6.6101 -6.6101 -5.3613 -5.3613 -4.1341 -4.1341 -3.3608 -3.3608 -1.8739 -1.8739 0.5431 0.5431 1.2642 1.2642 2.3144 2.3144 2.3207 2.3207 3.2895 3.2895 4.0390 4.0390 4.7689 4.7689 6.0779 6.0779 6.4989 6.4989 7.0296 7.0296 7.9157 7.9157 8.4095 8.4095 8.4481 8.4481 9.1382 9.1382 9.6822 9.6822 10.2501 10.2501 10.5863 10.5863 k = 0.1549-0.3355 0.9192 ( 2647 PWs) bands (ev): -7.4745 -7.4745 -6.6412 -6.6412 -5.4044 -5.4044 -4.1664 -4.1664 -3.3047 -3.3047 -1.8314 -1.8314 0.6154 0.6154 1.2975 1.2975 2.3823 2.3823 2.4089 2.4089 3.3014 3.3014 4.0546 4.0546 4.8127 4.8127 6.0560 6.0560 6.5442 6.5442 7.0318 7.0318 7.8443 7.8443 8.3917 8.3917 8.4515 8.4515 9.1553 9.1553 9.6081 9.6081 10.3281 10.3281 10.5219 10.5219 k = 0.1602-0.3471 0.9028 ( 2651 PWs) bands (ev): -7.5203 -7.5203 -6.6717 -6.6717 -5.4467 -5.4467 -4.1979 -4.1979 -3.2511 -3.2511 -1.7911 -1.7911 0.6838 0.6838 1.3357 1.3357 2.4494 2.4494 2.5033 2.5033 3.3207 3.3207 4.0680 4.0680 4.8598 4.8598 6.0339 6.0339 6.5802 6.5802 7.0277 7.0277 7.7774 7.7774 8.3443 8.3443 8.4914 8.4914 9.1756 9.1756 9.5287 9.5287 10.4052 10.4052 10.4503 10.4503 k = 0.1656-0.3587 0.8864 ( 2653 PWs) bands (ev): -7.5647 -7.5647 -6.7015 -6.7015 -5.4878 -5.4878 -4.2288 -4.2288 -3.2001 -3.2001 -1.7528 -1.7528 0.7477 0.7477 1.3790 1.3790 2.5195 2.5195 2.5996 2.5996 3.3479 3.3479 4.0798 4.0798 4.9086 4.9086 6.0117 6.0117 6.6048 6.6048 7.0179 7.0179 7.7181 7.7181 8.2969 8.2969 8.5360 8.5360 9.1991 9.1991 9.4458 9.4458 10.3612 10.3612 10.4919 10.4919 k = 0.1709-0.3703 0.8700 ( 2651 PWs) bands (ev): -7.6075 -7.6075 -6.7305 -6.7305 -5.5277 -5.5277 -4.2589 -4.2589 -3.1522 -3.1522 -1.7166 -1.7166 0.8068 0.8068 1.4274 1.4274 2.5923 2.5923 2.6976 2.6976 3.3832 3.3832 4.0910 4.0910 4.9577 4.9577 5.9896 5.9896 6.6157 6.6157 7.0032 7.0032 7.6698 7.6698 8.2497 8.2497 8.5831 8.5831 9.2252 9.2252 9.3613 9.3613 10.2724 10.2724 10.5715 10.5715 k = 0.1763-0.3819 0.8535 ( 2646 PWs) bands (ev): -7.6487 -7.6487 -6.7587 -6.7587 -5.5663 -5.5663 -4.2880 -4.2880 -3.1073 -3.1073 -1.6823 -1.6823 0.8608 0.8608 1.4811 1.4811 2.6672 2.6672 2.7969 2.7969 3.4265 3.4265 4.1023 4.1023 5.0056 5.0056 5.9675 5.9675 6.6113 6.6113 6.9843 6.9843 7.6350 7.6350 8.2024 8.2024 8.6308 8.6308 9.2467 9.2467 9.2831 9.2831 10.1789 10.1789 10.6505 10.6505 k = 0.1816-0.3935 0.8371 ( 2648 PWs) bands (ev): -7.6881 -7.6881 -6.7860 -6.7860 -5.6035 -5.6035 -4.3161 -4.3161 -3.0658 -3.0658 -1.6499 -1.6499 0.9094 0.9094 1.5400 1.5400 2.7435 2.7435 2.8975 2.8975 3.4777 3.4777 4.1147 4.1147 5.0506 5.0506 5.9456 5.9456 6.5913 6.5913 6.9615 6.9615 7.6152 7.6152 8.1546 8.1546 8.6767 8.6767 9.1841 9.1841 9.2922 9.2922 10.0832 10.0832 10.7277 10.7277 k = 0.1870-0.4051 0.8207 ( 2654 PWs) bands (ev): -7.7259 -7.7259 -6.8122 -6.8122 -5.6391 -5.6391 -4.3432 -4.3432 -3.0276 -3.0276 -1.6195 -1.6195 0.9527 0.9527 1.6041 1.6041 2.8203 2.8203 2.9990 2.9990 3.5364 3.5364 4.1289 4.1289 5.0909 5.0909 5.9239 5.9239 6.5572 6.5572 6.9355 6.9355 7.6098 7.6098 8.1061 8.1061 8.7167 8.7167 9.1038 9.1038 9.3250 9.3250 9.9873 9.9873 10.7860 10.7860 k = 0.1923-0.4166 0.8042 ( 2658 PWs) bands (ev): -7.7618 -7.7618 -6.8374 -6.8374 -5.6732 -5.6732 -4.3692 -4.3692 -2.9927 -2.9927 -1.5908 -1.5908 0.9908 0.9908 1.6735 1.6735 2.8966 2.8966 3.1013 3.1013 3.6023 3.6023 4.1458 4.1458 5.1248 5.1248 5.9025 5.9025 6.5125 6.5125 6.9066 6.9066 7.6167 7.6167 8.0569 8.0569 8.7418 8.7418 9.0353 9.0353 9.3589 9.3589 9.8942 9.8942 10.6933 10.6933 k = 0.1977-0.4282 0.7878 ( 2658 PWs) bands (ev): -7.7959 -7.7959 -6.8615 -6.8615 -5.7056 -5.7056 -4.3939 -4.3939 -2.9610 -2.9610 -1.5640 -1.5640 1.0238 1.0238 1.7482 1.7482 2.9714 2.9714 3.2041 3.2041 3.6745 3.6745 4.1661 4.1661 5.1504 5.1504 5.8813 5.8813 6.4611 6.4611 6.8751 6.8751 7.6322 7.6322 8.0081 8.0081 8.7348 8.7348 8.9964 8.9964 9.3903 9.3903 9.8076 9.8076 10.6003 10.6003 k = 0.2030-0.4398 0.7714 ( 2658 PWs) bands (ev): -7.8281 -7.8281 -6.8843 -6.8843 -5.7362 -5.7362 -4.4174 -4.4174 -2.9325 -2.9325 -1.5391 -1.5391 1.0521 1.0521 1.8279 1.8279 3.0433 3.0433 3.3073 3.3073 3.7523 3.7523 4.1903 4.1903 5.1661 5.1661 5.8603 5.8603 6.4076 6.4076 6.8414 6.8414 7.6512 7.6512 7.9618 7.9618 8.6860 8.6860 8.9965 8.9965 9.4129 9.4129 9.7345 9.7345 10.5097 10.5097 k = 0.2083-0.4514 0.7550 ( 2654 PWs) bands (ev): -7.8583 -7.8583 -6.9059 -6.9059 -5.7651 -5.7651 -4.4396 -4.4396 -2.9071 -2.9071 -1.5159 -1.5159 1.0760 1.0760 1.9127 1.9127 3.1111 3.1111 3.4105 3.4105 3.8348 3.8348 4.2186 4.2186 5.1706 5.1706 5.8398 5.8398 6.3556 6.3556 6.8055 6.8055 7.6653 7.6653 7.9240 7.9240 8.6103 8.6103 9.0209 9.0209 9.4145 9.4145 9.6878 9.6878 10.4222 10.4222 k = 0.2137-0.4630 0.7385 ( 2649 PWs) bands (ev): -7.8866 -7.8866 -6.9262 -6.9262 -5.7921 -5.7921 -4.4605 -4.4605 -2.8845 -2.8845 -1.4945 -1.4945 1.0961 1.0961 2.0022 2.0022 3.1737 3.1737 3.5133 3.5133 3.9208 3.9208 4.2506 4.2506 5.1640 5.1640 5.8195 5.8195 6.3081 6.3081 6.7678 6.7678 7.6620 7.6620 7.9051 7.9051 8.5230 8.5230 9.0540 9.0540 9.3849 9.3849 9.6782 9.6782 10.3386 10.3386 k = 0.2190-0.4746 0.7221 ( 2647 PWs) bands (ev): -7.9129 -7.9129 -6.9452 -6.9452 -5.8173 -5.8173 -4.4800 -4.4800 -2.8645 -2.8645 -1.4750 -1.4750 1.1126 1.1126 2.0963 2.0963 3.2300 3.2300 3.6152 3.6152 4.0094 4.0094 4.2845 4.2845 5.1475 5.1475 5.7995 5.7995 6.2668 6.2668 6.7285 6.7285 7.6324 7.6324 7.9130 7.9130 8.4314 8.4314 9.0888 9.0888 9.3318 9.3318 9.6980 9.6980 10.2596 10.2596 k = 0.2244-0.4862 0.7057 ( 2647 PWs) bands (ev): -7.9372 -7.9372 -6.9628 -6.9628 -5.8406 -5.8406 -4.4980 -4.4980 -2.8470 -2.8470 -1.4571 -1.4571 1.1262 1.1262 2.1946 2.1946 3.2797 3.2797 3.7157 3.7157 4.0994 4.0994 4.3170 4.3170 5.1251 5.1251 5.7799 5.7799 6.2319 6.2319 6.6877 6.6877 7.5810 7.5810 7.9422 7.9422 8.3390 8.3390 9.1221 9.1221 9.2699 9.2699 9.7328 9.7328 10.1859 10.1859 k = 0.2297-0.4977 0.6892 ( 2655 PWs) bands (ev): -7.9594 -7.9594 -6.9790 -6.9790 -5.8620 -5.8620 -4.5146 -4.5146 -2.8319 -2.8319 -1.4411 -1.4411 1.1371 1.1371 2.2968 2.2968 3.3224 3.3224 3.8140 3.8140 4.1898 4.1898 4.3428 4.3428 5.1035 5.1035 5.7605 5.7605 6.2023 6.2023 6.6458 6.6458 7.5169 7.5169 7.9831 7.9831 8.2476 8.2476 9.1522 9.1522 9.2077 9.2077 9.7739 9.7739 10.1182 10.1182 k = 0.2351-0.5093 0.6728 ( 2652 PWs) bands (ev): -7.9796 -7.9796 -6.9938 -6.9938 -5.8813 -5.8813 -4.5297 -4.5297 -2.8188 -2.8188 -1.4267 -1.4267 1.1458 1.1458 2.4025 2.4025 3.3583 3.3583 3.9092 3.9092 4.2792 4.2792 4.3542 4.3542 5.0917 5.0917 5.7415 5.7415 6.1761 6.1761 6.6032 6.6032 7.4463 7.4463 8.0296 8.0296 8.1591 8.1591 9.1467 9.1467 9.1806 9.1806 9.8174 9.8174 10.0573 10.0573 k = 0.2404-0.5209 0.6564 ( 2659 PWs) bands (ev): -7.9977 -7.9977 -7.0071 -7.0071 -5.8988 -5.8988 -4.5432 -4.5432 -2.8076 -2.8076 -1.4140 -1.4140 1.1527 1.1527 2.5112 2.5112 3.3880 3.3880 4.0003 4.0003 4.3430 4.3430 4.3672 4.3672 5.0987 5.0987 5.7229 5.7229 6.1505 6.1505 6.5603 6.5603 7.3731 7.3731 8.0689 8.0689 8.0842 8.0842 9.0929 9.0929 9.2021 9.2021 9.8607 9.8607 10.0039 10.0039 k = 0.2458-0.5325 0.6400 ( 2657 PWs) bands (ev): -8.0137 -8.0137 -7.0188 -7.0188 -5.9142 -5.9142 -4.5553 -4.5553 -2.7982 -2.7982 -1.4029 -1.4029 1.1580 1.1580 2.6221 2.6221 3.4121 3.4121 4.0860 4.0860 4.3072 4.3072 4.4506 4.4506 5.1293 5.1293 5.7048 5.7048 6.1231 6.1231 6.5180 6.5180 7.3003 7.3003 7.9943 7.9943 8.1287 8.1287 9.0441 9.0441 9.2196 9.2196 9.9011 9.9011 9.9597 9.9597 k = 0.2511-0.5441 0.6235 ( 2655 PWs) bands (ev): -8.0276 -8.0276 -7.0291 -7.0291 -5.9276 -5.9276 -4.5657 -4.5657 -2.7904 -2.7904 -1.3934 -1.3934 1.1621 1.1621 2.7344 2.7344 3.4314 3.4314 4.1650 4.1650 4.2480 4.2480 4.5294 4.5294 5.1824 5.1824 5.6874 5.6874 6.0910 6.0910 6.4770 6.4770 7.2307 7.2307 7.9219 7.9219 8.1761 8.1761 9.0010 9.0010 9.2327 9.2327 9.9114 9.9114 9.9509 9.9509 k = 0.2565-0.5557 0.6071 ( 2651 PWs) bands (ev): -8.0393 -8.0393 -7.0378 -7.0378 -5.9389 -5.9389 -4.5746 -4.5746 -2.7840 -2.7840 -1.3854 -1.3854 1.1652 1.1652 2.8468 2.8468 3.4464 3.4464 4.1703 4.1703 4.2369 4.2369 4.6013 4.6013 5.2528 5.2528 5.6711 5.6711 6.0521 6.0521 6.4384 6.4384 7.1670 7.1670 7.8576 7.8576 8.2204 8.2204 8.9638 8.9638 9.2417 9.2417 9.8841 9.8841 9.9841 9.9841 k = 0.2618-0.5673 0.5907 ( 2657 PWs) bands (ev): -8.0490 -8.0490 -7.0449 -7.0449 -5.9482 -5.9482 -4.5819 -4.5819 -2.7789 -2.7789 -1.3790 -1.3790 1.1674 1.1674 2.9574 2.9574 3.4579 3.4579 4.0833 4.0833 4.2979 4.2979 4.6644 4.6644 5.3349 5.3349 5.6562 5.6562 6.0047 6.0047 6.4037 6.4037 7.1117 7.1117 7.8026 7.8026 8.2599 8.2599 8.9326 8.9326 9.2472 9.2472 9.8608 9.8608 10.0161 10.0161 k = 0.2672-0.5788 0.5742 ( 2656 PWs) bands (ev): -8.0565 -8.0565 -7.0505 -7.0505 -5.9555 -5.9555 -4.5876 -4.5876 -2.7751 -2.7751 -1.3740 -1.3740 1.1690 1.1690 3.0627 3.0627 3.4663 3.4663 3.9929 3.9929 4.3477 4.3477 4.7167 4.7167 5.4234 5.4234 5.6435 5.6435 5.9481 5.9481 6.3743 6.3743 7.0669 7.0669 7.7583 7.7583 8.2931 8.2931 8.9076 8.9076 9.2501 9.2501 9.8435 9.8435 10.0431 10.0431 k = 0.2725-0.5904 0.5578 ( 2660 PWs) bands (ev): -8.0618 -8.0618 -7.0545 -7.0545 -5.9606 -5.9606 -4.5916 -4.5916 -2.7724 -2.7724 -1.3705 -1.3705 1.1700 1.1700 3.1565 3.1565 3.4721 3.4721 3.9082 3.9082 4.3847 4.3847 4.7560 4.7560 5.5134 5.5134 5.6336 5.6336 5.8832 5.8832 6.3518 6.3518 7.0341 7.0341 7.7258 7.7258 8.3183 8.3183 8.8892 8.8892 9.2514 9.2514 9.8317 9.8317 10.0638 10.0638 k = 0.2779-0.6020 0.5414 ( 2658 PWs) bands (ev): -8.0651 -8.0651 -7.0569 -7.0569 -5.9638 -5.9638 -4.5941 -4.5941 -2.7708 -2.7708 -1.3684 -1.3684 1.1706 1.1706 3.2266 3.2266 3.4754 3.4754 3.8431 3.8431 4.4075 4.4075 4.7805 4.7805 5.5975 5.5975 5.6274 5.6274 5.8150 5.8150 6.3377 6.3377 7.0142 7.0142 7.7059 7.7059 8.3341 8.3341 8.8779 8.8779 9.2518 9.2518 9.8249 9.8249 10.0769 10.0769 k = 0.2832-0.6136 0.5250 ( 2660 PWs) bands (ev): -8.0661 -8.0661 -7.0577 -7.0577 -5.9648 -5.9648 -4.5949 -4.5949 -2.7703 -2.7703 -1.3677 -1.3677 1.1708 1.1708 3.2538 3.2538 3.4765 3.4765 3.8174 3.8174 4.4152 4.4152 4.7888 4.7888 5.6251 5.6251 5.6451 5.6451 5.7729 5.7729 6.3329 6.3329 7.0075 7.0075 7.6993 7.6993 8.3395 8.3395 8.8741 8.8741 9.2519 9.2519 9.8227 9.8227 10.0814 10.0814 k = 0.7168-0.2389 0.4018 ( 2660 PWs) bands (ev): -8.0661 -8.0661 -7.0577 -7.0577 -5.9648 -5.9648 -4.5949 -4.5949 -2.7703 -2.7703 -1.3677 -1.3677 1.1708 1.1708 3.2538 3.2538 3.4765 3.4765 3.8174 3.8174 4.4152 4.4152 4.7888 4.7888 5.6251 5.6251 5.6451 5.6451 5.7729 5.7729 6.3329 6.3329 7.0075 7.0075 7.6993 7.6993 8.3395 8.3395 8.8741 8.8741 9.2519 9.2519 9.8227 9.8227 10.0814 10.0814 k = 0.7100-0.2242 0.3893 ( 2664 PWs) bands (ev): -8.0623 -8.0623 -7.1146 -7.1146 -5.9405 -5.9405 -4.5385 -4.5385 -2.7256 -2.7256 -1.3840 -1.3840 1.1304 1.1304 3.1459 3.1459 3.4403 3.4403 3.7633 3.7633 4.4500 4.4500 4.8083 4.8083 5.6610 5.6610 5.6780 5.6780 5.8121 5.8121 6.3263 6.3263 7.0595 7.0595 7.6817 7.6817 8.3421 8.3421 8.8367 8.8367 9.3044 9.3044 9.8169 9.8169 10.0839 10.0839 k = 0.7032-0.2095 0.3767 ( 2656 PWs) bands (ev): -8.0620 -8.0620 -7.1703 -7.1703 -5.9101 -5.9101 -4.4811 -4.4811 -2.6815 -2.6815 -1.3980 -1.3980 1.0924 1.0924 3.0276 3.0276 3.4025 3.4025 3.7174 3.7174 4.4487 4.4487 4.8560 4.8560 5.6796 5.6796 5.6987 5.6987 5.8554 5.8554 6.3408 6.3408 7.1225 7.1225 7.6681 7.6681 8.3438 8.3438 8.8018 8.8018 9.3568 9.3568 9.8098 9.8098 10.0889 10.0889 k = 0.6965-0.1949 0.3641 ( 2664 PWs) bands (ev): -8.0650 -8.0650 -7.2249 -7.2249 -5.8739 -5.8739 -4.4231 -4.4231 -2.6384 -2.6384 -1.4094 -1.4094 1.0569 1.0569 2.9013 2.9013 3.3633 3.3633 3.6783 3.6783 4.4184 4.4184 4.9248 4.9248 5.6805 5.6805 5.7074 5.7074 5.9020 5.9020 6.3767 6.3767 7.1953 7.1953 7.6587 7.6587 8.3449 8.3449 8.7696 8.7696 9.4086 9.4086 9.8025 9.8025 10.0963 10.0963 k = 0.6897-0.1802 0.3516 ( 2660 PWs) bands (ev): -8.0711 -8.0711 -7.2781 -7.2781 -5.8321 -5.8321 -4.3645 -4.3645 -2.5967 -2.5967 -1.4176 -1.4176 1.0241 1.0241 2.7690 2.7690 3.3232 3.3232 3.6448 3.6448 4.3693 4.3693 5.0046 5.0046 5.6664 5.6664 5.7049 5.7049 5.9515 5.9515 6.4314 6.4314 7.2764 7.2764 7.6532 7.6532 8.3455 8.3455 8.7405 8.7405 9.4589 9.4589 9.7968 9.7968 10.1056 10.1056 k = 0.6829-0.1655 0.3390 ( 2656 PWs) bands (ev): -8.0799 -8.0799 -7.3300 -7.3300 -5.7850 -5.7850 -4.3057 -4.3057 -2.5570 -2.5570 -1.4225 -1.4225 0.9941 0.9941 2.6323 2.6323 3.2827 3.2827 3.6157 3.6157 4.3078 4.3078 5.0892 5.0892 5.6415 5.6415 5.6924 5.6924 6.0031 6.0031 6.5008 6.5008 7.3640 7.3640 7.6518 7.6518 8.3459 8.3459 8.7147 8.7147 9.5060 9.5060 9.7948 9.7948 10.1165 10.1165 k = 0.6761-0.1508 0.3265 ( 2660 PWs) bands (ev): -8.0912 -8.0912 -7.3804 -7.3804 -5.7330 -5.7330 -4.2466 -4.2466 -2.5198 -2.5198 -1.4236 -1.4236 0.9670 0.9670 2.4926 2.4926 3.2419 3.2419 3.5904 3.5904 4.2373 4.2373 5.1752 5.1752 5.6093 5.6093 5.6710 5.6710 6.0562 6.0562 6.5810 6.5810 7.4563 7.4563 7.6542 7.6542 8.3465 8.3465 8.6927 8.6927 9.5470 9.5470 9.8001 9.8001 10.1286 10.1286 k = 0.6694-0.1362 0.3139 ( 2656 PWs) bands (ev): -8.1045 -8.1045 -7.4292 -7.4292 -5.6764 -5.6764 -4.1877 -4.1877 -2.4855 -2.4855 -1.4205 -1.4205 0.9431 0.9431 2.3507 2.3507 3.2012 3.2012 3.5684 3.5684 4.1598 4.1598 5.2609 5.2609 5.5728 5.5728 5.6420 5.6420 6.1104 6.1104 6.6692 6.6692 7.5513 7.5513 7.6609 7.6609 8.3475 8.3475 8.6746 8.6746 9.5779 9.5779 9.8171 9.8171 10.1414 10.1414 k = 0.6626-0.1215 0.3014 ( 2658 PWs) bands (ev): -8.1196 -8.1196 -7.4765 -7.4765 -5.6157 -5.6157 -4.1290 -4.1290 -2.4546 -2.4546 -1.4130 -1.4130 0.9224 0.9224 2.2074 2.2074 3.1608 3.1608 3.5493 3.5493 4.0765 4.0765 5.3451 5.3451 5.5340 5.5340 5.6063 5.6063 6.1649 6.1649 6.7635 6.7635 7.6436 7.6436 7.6757 7.6757 8.3495 8.3495 8.6608 8.6608 9.5961 9.5961 9.8487 9.8487 10.1545 10.1545 k = 0.6558-0.1068 0.2888 ( 2664 PWs) bands (ev): -8.1362 -8.1362 -7.5221 -7.5221 -5.5513 -5.5513 -4.0707 -4.0707 -2.4273 -2.4273 -1.4009 -1.4009 0.9050 0.9050 2.0635 2.0635 3.1210 3.1210 3.5330 3.5330 3.9883 3.9883 5.4268 5.4268 5.4942 5.4942 5.5647 5.5647 6.2192 6.2192 6.8624 6.8624 7.6798 7.6798 7.7507 7.7507 8.3526 8.3526 8.6516 8.6516 9.6029 9.6029 9.8939 9.8939 10.1674 10.1674 k = 0.6490-0.0921 0.2762 ( 2664 PWs) bands (ev): -8.1538 -8.1538 -7.5660 -7.5660 -5.4835 -5.4835 -4.0130 -4.0130 -2.4038 -2.4038 -1.3842 -1.3842 0.8912 0.8912 1.9194 1.9194 3.0819 3.0819 3.5193 3.5193 3.8961 3.8961 5.4532 5.4532 5.5066 5.5066 5.5184 5.5184 6.2729 6.2729 6.9652 6.9652 7.6982 7.6982 7.8464 7.8464 8.3575 8.3575 8.6474 8.6474 9.6019 9.6019 9.9493 9.9493 10.1797 10.1797 k = 0.6423-0.0774 0.2637 ( 2660 PWs) bands (ev): -8.1723 -8.1723 -7.6082 -7.6082 -5.4129 -5.4129 -3.9562 -3.9562 -2.3843 -2.3843 -1.3630 -1.3630 0.8811 0.8811 1.7756 1.7756 3.0438 3.0438 3.5081 3.5081 3.8004 3.8004 5.4137 5.4137 5.4671 5.4671 5.5826 5.5826 6.3254 6.3254 7.0710 7.0710 7.7193 7.7193 7.9411 7.9411 8.3647 8.3647 8.6485 8.6485 9.5963 9.5963 10.0117 10.0117 10.1911 10.1911 k = 0.6355-0.0628 0.2511 ( 2664 PWs) bands (ev): -8.1913 -8.1913 -7.6486 -7.6486 -5.3398 -5.3398 -3.9003 -3.9003 -2.3685 -2.3685 -1.3375 -1.3375 0.8746 0.8746 1.6325 1.6325 3.0068 3.0068 3.4994 3.4994 3.7017 3.7017 5.3746 5.3746 5.4123 5.4123 5.6549 5.6549 6.3761 6.3761 7.1794 7.1794 7.7440 7.7440 8.0325 8.0325 8.3749 8.3749 8.6552 8.6552 9.5882 9.5882 10.0790 10.0790 10.2014 10.2014 k = 0.6287-0.0481 0.2386 ( 2666 PWs) bands (ev): -8.2105 -8.2105 -7.6872 -7.6872 -5.2647 -5.2647 -3.8457 -3.8457 -2.3563 -2.3563 -1.3080 -1.3080 0.8721 0.8721 1.4906 1.4906 2.9710 2.9710 3.4932 3.4932 3.6008 3.6008 5.3360 5.3360 5.3546 5.3546 5.7234 5.7234 6.4247 6.4247 7.2901 7.2901 7.7723 7.7723 8.1187 8.1187 8.3896 8.3896 8.6676 8.6676 9.5786 9.5786 10.1498 10.1498 10.2106 10.2106 k = 0.6219-0.0334 0.2260 ( 2676 PWs) bands (ev): -8.2299 -8.2299 -7.7240 -7.7240 -5.1880 -5.1880 -3.7925 -3.7925 -2.3474 -2.3474 -1.2751 -1.2751 0.8735 0.8735 1.3502 1.3502 2.9365 2.9365 3.4874 3.4874 3.4999 3.4999 5.2897 5.2897 5.3030 5.3030 5.7876 5.7876 6.4706 6.4706 7.4026 7.4026 7.8045 7.8045 8.1965 8.1965 8.4111 8.4111 8.6860 8.6860 9.5683 9.5683 10.2164 10.2164 10.2254 10.2254 k = 0.6152-0.0187 0.2135 ( 2676 PWs) bands (ev): -8.2491 -8.2491 -7.7589 -7.7589 -5.1101 -5.1101 -3.7409 -3.7409 -2.3413 -2.3413 -1.2394 -1.2394 0.8791 0.8791 1.2117 1.2117 2.9035 2.9035 3.3926 3.3926 3.4890 3.4890 5.2274 5.2274 5.2665 5.2665 5.8474 5.8474 6.5137 6.5137 7.5167 7.5167 7.8405 7.8405 8.2615 8.2615 8.4434 8.4434 8.7106 8.7106 9.5576 9.5576 10.2249 10.2249 10.2991 10.2991 k = 0.6084-0.0041 0.2009 ( 2672 PWs) bands (ev): -8.2680 -8.2680 -7.7919 -7.7919 -5.0315 -5.0315 -3.6911 -3.6911 -2.3377 -2.3377 -1.2013 -1.2013 0.8888 0.8888 1.0756 1.0756 2.8720 2.8720 3.2871 3.2871 3.4905 3.4905 5.1617 5.1617 5.2329 5.2329 5.9028 5.9028 6.5537 6.5537 7.6321 7.6321 7.8802 7.8802 8.3104 8.3104 8.4892 8.4892 8.7414 8.7414 9.5467 9.5467 10.2309 10.2309 10.3749 10.3749 k = 0.6016 0.0106 0.1884 ( 2662 PWs) bands (ev): -8.2864 -8.2864 -7.8231 -7.8231 -4.9527 -4.9527 -3.6433 -3.6433 -2.3361 -2.3361 -1.1614 -1.1614 0.9023 0.9023 0.9426 0.9426 2.8421 2.8421 3.1807 3.1807 3.4947 3.4947 5.0943 5.0943 5.2012 5.2012 5.9535 5.9535 6.5903 6.5903 7.7485 7.7485 7.9237 7.9237 8.3452 8.3452 8.5459 8.5459 8.7782 8.7782 9.5356 9.5356 10.2364 10.2364 10.4492 10.4492 k = 0.5948 0.0253 0.1758 ( 2666 PWs) bands (ev): -8.3042 -8.3042 -7.8523 -7.8523 -4.8742 -4.8742 -3.5976 -3.5976 -2.3362 -2.3362 -1.1204 -1.1204 0.8113 0.8113 0.9215 0.9215 2.8139 2.8139 3.0740 3.0740 3.5016 3.5016 5.0255 5.0255 5.1713 5.1713 5.9995 5.9995 6.6234 6.6234 7.8654 7.8654 7.9708 7.9708 8.3715 8.3715 8.6072 8.6072 8.8210 8.8210 9.5243 9.5243 10.2417 10.2417 10.5170 10.5170 k = 0.5881 0.0400 0.1632 ( 2664 PWs) bands (ev): -8.3212 -8.3212 -7.8795 -7.8795 -4.7965 -4.7965 -3.5543 -3.5543 -2.3376 -2.3376 -1.0786 -1.0786 0.6845 0.6845 0.9441 0.9441 2.7874 2.7874 2.9673 2.9673 3.5113 3.5113 4.9559 4.9559 5.1434 5.1434 6.0411 6.0411 6.6531 6.6531 7.9809 7.9809 8.0230 8.0230 8.3936 8.3936 8.6681 8.6681 8.8694 8.8694 9.5129 9.5129 10.2472 10.2472 10.5650 10.5650 k = 0.5813 0.0547 0.1507 ( 2660 PWs) bands (ev): -8.3373 -8.3373 -7.9048 -7.9048 -4.7202 -4.7202 -3.5136 -3.5136 -2.3399 -2.3399 -1.0365 -1.0365 0.5617 0.5617 0.9712 0.9712 2.7626 2.7626 2.8609 2.8609 3.5236 3.5236 4.8859 4.8859 5.1174 5.1174 6.0782 6.0782 6.6795 6.6795 8.0676 8.0676 8.1067 8.1067 8.4138 8.4138 8.7259 8.7259 8.9230 8.9230 9.5011 9.5011 10.2533 10.2533 10.5721 10.5721 k = 0.5745 0.0693 0.1381 ( 2660 PWs) bands (ev): -8.3525 -8.3525 -7.9282 -7.9282 -4.6459 -4.6459 -3.4755 -3.4755 -2.3429 -2.3429 -0.9945 -0.9945 0.4432 0.4432 1.0028 1.0028 2.7397 2.7397 2.7553 2.7553 3.5387 3.5387 4.8160 4.8160 5.0933 5.0933 6.1111 6.1111 6.7026 6.7026 8.1248 8.1248 8.2217 8.2217 8.4330 8.4330 8.7791 8.7791 8.9813 8.9813 9.4890 9.4890 10.2603 10.2603 10.5422 10.5422 k = 0.5677 0.0840 0.1256 ( 2664 PWs) bands (ev): -8.3666 -8.3666 -7.9495 -7.9495 -4.5743 -4.5743 -3.4402 -3.4402 -2.3463 -2.3463 -0.9529 -0.9529 0.3295 0.3295 1.0386 1.0386 2.6507 2.6507 2.7187 2.7187 3.5564 3.5564 4.7466 4.7466 5.0713 5.0713 6.1400 6.1400 6.7226 6.7226 8.1817 8.1817 8.3376 8.3376 8.4517 8.4517 8.8270 8.8270 9.0434 9.0434 9.4764 9.4764 10.2685 10.2685 10.4967 10.4967 k = 0.5610 0.0987 0.1130 ( 2668 PWs) bands (ev): -8.3795 -8.3795 -7.9689 -7.9689 -4.5060 -4.5060 -3.4079 -3.4079 -2.3499 -2.3499 -0.9118 -0.9118 0.2213 0.2213 1.0788 1.0788 2.5475 2.5475 2.6996 2.6996 3.5765 3.5765 4.6783 4.6783 5.0512 5.0512 6.1651 6.1651 6.7398 6.7398 8.2392 8.2392 8.4503 8.4503 8.4718 8.4718 8.8690 8.8690 9.1088 9.1088 9.4632 9.4632 10.2777 10.2777 10.4465 10.4465 k = 0.5542 0.1134 0.1005 ( 2668 PWs) bands (ev): -8.3913 -8.3913 -7.9862 -7.9862 -4.4419 -4.4419 -3.3786 -3.3786 -2.3536 -2.3536 -0.8715 -0.8715 0.1188 0.1188 1.1230 1.1230 2.4463 2.4463 2.6824 2.6824 3.5990 3.5990 4.6117 4.6117 5.0333 5.0333 6.1868 6.1868 6.7544 6.7544 8.2966 8.2966 8.4856 8.4856 8.5662 8.5662 8.9052 8.9052 9.1764 9.1764 9.4494 9.4494 10.2880 10.2880 10.3962 10.3962 k = 0.5474 0.1280 0.0879 ( 2680 PWs) bands (ev): -8.4018 -8.4018 -8.0015 -8.0015 -4.3826 -4.3826 -3.3526 -3.3526 -2.3571 -2.3571 -0.8320 -0.8320 0.0226 0.0226 1.1712 1.1712 2.3473 2.3473 2.6672 2.6672 3.6233 3.6233 4.5474 4.5474 5.0174 5.0174 6.2051 6.2051 6.7666 6.7666 8.3530 8.3530 8.5021 8.5021 8.6748 8.6748 8.9355 8.9355 9.2448 9.2448 9.4349 9.4349 10.2989 10.2989 10.3481 10.3481 k = 0.5406 0.1427 0.0753 ( 2680 PWs) bands (ev): -8.4110 -8.4110 -8.0148 -8.0148 -4.3291 -4.3291 -3.3298 -3.3298 -2.3604 -2.3604 -0.7932 -0.7932 -0.0667 -0.0667 1.2229 1.2229 2.2512 2.2512 2.6540 2.6540 3.6492 3.6492 4.4863 4.4863 5.0036 5.0036 6.2205 6.2205 6.7766 6.7766 8.4072 8.4072 8.5171 8.5171 8.7786 8.7786 8.9604 8.9604 9.3127 9.3127 9.4200 9.4200 10.2993 10.2993 10.3142 10.3142 k = 0.5339 0.1574 0.0628 ( 2676 PWs) bands (ev): -8.4188 -8.4188 -8.0260 -8.0260 -4.2821 -4.2821 -3.3104 -3.3104 -2.3634 -2.3634 -0.7553 -0.7553 -0.1487 -0.1487 1.2775 1.2775 2.1587 2.1587 2.6428 2.6428 3.6758 3.6758 4.4294 4.4294 4.9919 4.9919 6.2331 6.2331 6.7848 6.7848 8.4578 8.4578 8.5306 8.5306 8.8752 8.8752 8.9801 8.9801 9.3780 9.3780 9.4050 9.4050 10.2614 10.2614 10.3233 10.3233 k = 0.5271 0.1721 0.0502 ( 2676 PWs) bands (ev): -8.4253 -8.4253 -8.0353 -8.0353 -4.2423 -4.2423 -3.2945 -3.2945 -2.3659 -2.3659 -0.7182 -0.7182 -0.2228 -0.2228 1.3341 1.3341 2.0709 2.0709 2.6335 2.6335 3.7019 3.7019 4.3781 4.3781 4.9823 4.9823 6.2431 6.2431 6.7911 6.7911 8.5033 8.5033 8.5422 8.5422 8.9618 8.9618 8.9954 8.9954 9.3905 9.3905 9.4385 9.4385 10.2270 10.2270 10.3337 10.3337 k = 0.5203 0.1867 0.0377 ( 2676 PWs) bands (ev): -8.4303 -8.4303 -8.0424 -8.0424 -4.2105 -4.2105 -3.2820 -3.2820 -2.3679 -2.3679 -0.6825 -0.6825 -0.2879 -0.2879 1.3908 1.3908 1.9899 1.9899 2.6264 2.6264 3.7262 3.7262 4.3341 4.3341 4.9749 4.9749 6.2507 6.2507 6.7959 6.7959 8.5414 8.5414 8.5520 8.5520 9.0061 9.0061 9.0358 9.0358 9.3776 9.3776 9.4911 9.4911 10.1992 10.1992 10.3428 10.3428 k = 0.5135 0.2014 0.0251 ( 2676 PWs) bands (ev): -8.4340 -8.4340 -8.0476 -8.0476 -4.1873 -4.1873 -3.2731 -3.2731 -2.3694 -2.3694 -0.6498 -0.6498 -0.3420 -0.3420 1.4437 1.4437 1.9195 1.9195 2.6212 2.6212 3.7463 3.7463 4.2997 4.2997 4.9695 4.9695 6.2560 6.2560 6.7993 6.7993 8.5581 8.5581 8.5716 8.5716 9.0138 9.0138 9.0922 9.0922 9.3675 9.3675 9.5326 9.5326 10.1788 10.1788 10.3499 10.3499 k = 0.5068 0.2161 0.0126 ( 2690 PWs) bands (ev): -8.4361 -8.4361 -8.0506 -8.0506 -4.1732 -4.1732 -3.2677 -3.2677 -2.3703 -2.3703 -0.6243 -0.6243 -0.3805 -0.3805 1.4851 1.4851 1.8676 1.8676 2.6182 2.6182 3.7598 3.7598 4.2775 4.2775 4.9663 4.9663 6.2591 6.2591 6.8012 6.8012 8.5625 8.5625 8.5900 8.5900 9.0181 9.0181 9.1279 9.1279 9.3610 9.3610 9.5593 9.5593 10.1663 10.1663 10.3543 10.3543 k = 0.5000 0.2308 0.0000 ( 2694 PWs) bands (ev): -8.4369 -8.4369 -8.0517 -8.0517 -4.1685 -4.1685 -3.2660 -3.2660 -2.3706 -2.3706 -0.6141 -0.6141 -0.3951 -0.3951 1.5017 1.5017 1.8474 1.8474 2.6172 2.6172 3.7646 3.7646 4.2698 4.2698 4.9652 4.9652 6.2602 6.2602 6.8019 6.8019 8.5639 8.5639 8.5963 8.5963 9.0196 9.0196 9.1400 9.1400 9.3588 9.3588 9.5687 9.5687 10.1621 10.1621 10.3558 10.3558 Writing output data file C5S3.save init_run : 0.28s CPU 0.76s WALL ( 1 calls) electrons : 216.61s CPU 221.28s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.14s WALL ( 1 calls) potinit : 0.04s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 216.60s CPU 221.27s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.05s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.06s WALL ( 413 calls) cegterg : 195.78s CPU 197.94s WALL ( 505 calls) Called by sum_band: Called by *egterg: h_psi : 140.13s CPU 142.45s WALL ( 8735 calls) s_psi : 5.44s CPU 5.38s WALL ( 8735 calls) g_psi : 0.16s CPU 0.17s WALL ( 7817 calls) cdiaghg : 56.08s CPU 56.22s WALL ( 8230 calls) cegterg:over : 4.62s CPU 4.59s WALL ( 7817 calls) cegterg:upda : 3.40s CPU 3.44s WALL ( 7817 calls) cegterg:last : 1.74s CPU 1.86s WALL ( 1413 calls) cdiaghg:chol : 2.89s CPU 3.08s WALL ( 8230 calls) cdiaghg:inve : 2.01s CPU 2.06s WALL ( 8230 calls) cdiaghg:para : 3.16s CPU 3.23s WALL ( 16460 calls) Called by h_psi: h_psi:vloc : 127.41s CPU 129.82s WALL ( 8735 calls) h_psi:vnl : 12.56s CPU 12.47s WALL ( 8735 calls) add_vuspsi : 6.54s CPU 6.46s WALL ( 8735 calls) General routines calbec : 5.99s CPU 5.99s WALL ( 8735 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 119.25s CPU 121.47s WALL ( 879752 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.23s WALL ( 826 calls) Parallel routines fft_scatter : 33.48s CPU 34.19s WALL ( 879775 calls) PWSCF : 3m52.36s CPU 4m29.30s WALL This run was terminated on: 16:36:57 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=