Program PWSCF v.5.3.0 (svn rev. 11974) starts on 1Feb2017 at 8: 6: 8 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 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 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: ./NiPSe3.save/ file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized 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: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 30 21 6 1223 727 109 Max 31 22 7 1229 748 114 Sum 2181 1555 439 88177 52939 8001 bravais-lattice index = 14 lattice parameter (alat) = 11.5820 a.u. unit-cell volume = 1439.9608 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 3 number of electrons = 66.00 number of Kohn-Sham states= 80 kinetic-energy cutoff = 42.0000 Ry charge density cutoff = 236.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.582035 celldm(2)= 1.000000 celldm(3)= 1.120910 celldm(4)= 0.150217 celldm(5)= 0.150217 celldm(6)= -0.498686 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.498686 0.866783 0.000000 ) a(3) = ( 0.168380 0.291132 1.069266 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.575329 -0.314119 ) b(2) = ( 0.000000 1.153691 -0.314119 ) b(3) = ( 0.000000 0.000000 0.935221 ) PseudoPot. # 1 for Se read from file: /users/gautes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d 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 1211 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 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. # 3 for P read from file: /users/gautes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Se 6.00 78.96000 Se( 1.00) Ni 10.00 58.69340 Ni( 1.00) P 5.00 30.97380 P( 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= 287 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 2) = ( 0.0092674 0.0160235 -0.0043628), wk = 0.0034843 k( 3) = ( 0.0185348 0.0320470 -0.0087255), wk = 0.0034843 k( 4) = ( 0.0278021 0.0480705 -0.0130883), wk = 0.0034843 k( 5) = ( 0.0370695 0.0640940 -0.0174510), wk = 0.0034843 k( 6) = ( 0.0463369 0.0801175 -0.0218138), wk = 0.0034843 k( 7) = ( 0.0556043 0.0961410 -0.0261766), wk = 0.0034843 k( 8) = ( 0.0648717 0.1121644 -0.0305393), wk = 0.0034843 k( 9) = ( 0.0741390 0.1281879 -0.0349021), wk = 0.0034843 k( 10) = ( 0.0834064 0.1442114 -0.0392649), wk = 0.0034843 k( 11) = ( 0.0926738 0.1602349 -0.0436276), wk = 0.0034843 k( 12) = ( 0.1019412 0.1762584 -0.0479904), wk = 0.0034843 k( 13) = ( 0.1112086 0.1922819 -0.0523531), wk = 0.0034843 k( 14) = ( 0.1204759 0.2083054 -0.0567159), wk = 0.0034843 k( 15) = ( 0.1297433 0.2243289 -0.0610787), wk = 0.0034843 k( 16) = ( 0.1390107 0.2403524 -0.0654414), wk = 0.0034843 k( 17) = ( 0.1482781 0.2563759 -0.0698042), wk = 0.0034843 k( 18) = ( 0.1575455 0.2723994 -0.0741669), wk = 0.0034843 k( 19) = ( 0.1668128 0.2884229 -0.0785297), wk = 0.0034843 k( 20) = ( 0.1760802 0.3044463 -0.0828925), wk = 0.0034843 k( 21) = ( 0.1853476 0.3204698 -0.0872552), wk = 0.0034843 k( 22) = ( 0.1946150 0.3364933 -0.0916180), wk = 0.0034843 k( 23) = ( 0.2038824 0.3525168 -0.0959808), wk = 0.0034843 k( 24) = ( 0.2131497 0.3685403 -0.1003435), wk = 0.0034843 k( 25) = ( 0.2224171 0.3845638 -0.1047063), wk = 0.0034843 k( 26) = ( 0.2316845 0.4005873 -0.1090690), wk = 0.0034843 k( 27) = ( 0.2409519 0.4166108 -0.1134318), wk = 0.0034843 k( 28) = ( 0.2502193 0.4326343 -0.1177946), wk = 0.0034843 k( 29) = ( 0.2594866 0.4486578 -0.1221573), wk = 0.0034843 k( 30) = ( 0.2687540 0.4646812 -0.1265201), wk = 0.0034843 k( 31) = ( 0.2780214 0.4807047 -0.1308828), wk = 0.0034843 k( 32) = ( 0.2872888 0.4967282 -0.1352456), wk = 0.0034843 k( 33) = ( 0.2965562 0.5127517 -0.1396084), wk = 0.0034843 k( 34) = ( 0.3058235 0.5287752 -0.1439711), wk = 0.0034843 k( 35) = ( 0.3150909 0.5447987 -0.1483339), wk = 0.0034843 k( 36) = ( 0.3243583 0.5608222 -0.1526966), wk = 0.0034843 k( 37) = ( 0.3336257 0.5768457 -0.1570594), wk = 0.0034843 k( 38) = ( 0.3336257 0.5768457 -0.1570594), wk = 0.0034843 k( 39) = ( 0.3365023 0.5818195 -0.1387917), wk = 0.0034843 k( 40) = ( 0.3393790 0.5867933 -0.1205240), wk = 0.0034843 k( 41) = ( 0.3422557 0.5917671 -0.1022563), wk = 0.0034843 k( 42) = ( 0.3451323 0.5967409 -0.0839885), wk = 0.0034843 k( 43) = ( 0.3480090 0.6017147 -0.0657208), wk = 0.0034843 k( 44) = ( 0.3508856 0.6066885 -0.0474531), wk = 0.0034843 k( 45) = ( 0.3537623 0.6116623 -0.0291854), wk = 0.0034843 k( 46) = ( 0.3566389 0.6166361 -0.0109177), wk = 0.0034843 k( 47) = ( 0.3595156 0.6216099 0.0073500), wk = 0.0034843 k( 48) = ( 0.3623923 0.6265837 0.0256177), wk = 0.0034843 k( 49) = ( 0.3652689 0.6315575 0.0438855), wk = 0.0034843 k( 50) = ( 0.3681456 0.6365313 0.0621532), wk = 0.0034843 k( 51) = ( 0.3710222 0.6415051 0.0804209), wk = 0.0034843 k( 52) = ( 0.3738989 0.6464789 0.0986886), wk = 0.0034843 k( 53) = ( 0.3767756 0.6514527 0.1169563), wk = 0.0034843 k( 54) = ( 0.3796522 0.6564265 0.1352240), wk = 0.0034843 k( 55) = ( 0.3825289 0.6614003 0.1534918), wk = 0.0034843 k( 56) = ( 0.3825289 0.6614003 0.1534918), wk = 0.0034843 k( 57) = ( 0.3773812 0.6524999 0.1700243), wk = 0.0034843 k( 58) = ( 0.3722335 0.6435994 0.1865569), wk = 0.0034843 k( 59) = ( 0.3670858 0.6346989 0.2030895), wk = 0.0034843 k( 60) = ( 0.3619381 0.6257984 0.2196220), wk = 0.0034843 k( 61) = ( 0.3567903 0.6168979 0.2361546), wk = 0.0034843 k( 62) = ( 0.3516426 0.6079974 0.2526872), wk = 0.0034843 k( 63) = ( 0.3464949 0.5990969 0.2692197), wk = 0.0034843 k( 64) = ( 0.3413472 0.5901964 0.2857523), wk = 0.0034843 k( 65) = ( 0.3361995 0.5812959 0.3022849), wk = 0.0034843 k( 66) = ( 0.3310518 0.5723954 0.3188175), wk = 0.0034843 k( 67) = ( 0.3259041 0.5634950 0.3353500), wk = 0.0034843 k( 68) = ( 0.3207564 0.5545945 0.3518826), wk = 0.0034843 k( 69) = ( 0.3156087 0.5456940 0.3684152), wk = 0.0034843 k( 70) = ( 0.3104610 0.5367935 0.3849477), wk = 0.0034843 k( 71) = ( 0.3053133 0.5278930 0.4014803), wk = 0.0034843 k( 72) = ( 0.3001656 0.5189925 0.4180129), wk = 0.0034843 k( 73) = ( 0.2950179 0.5100920 0.4345454), wk = 0.0034843 k( 74) = ( 0.2898702 0.5011915 0.4510780), wk = 0.0034843 k( 75) = ( 0.2847225 0.4922910 0.4676106), wk = 0.0034843 k( 76) = ( 0.2847225 0.4922910 0.4676106), wk = 0.0034843 k( 77) = ( 0.2752317 0.4758813 0.4676106), wk = 0.0034843 k( 78) = ( 0.2657410 0.4594716 0.4676106), wk = 0.0034843 k( 79) = ( 0.2562502 0.4430619 0.4676106), wk = 0.0034843 k( 80) = ( 0.2467595 0.4266522 0.4676106), wk = 0.0034843 k( 81) = ( 0.2372687 0.4102425 0.4676106), wk = 0.0034843 k( 82) = ( 0.2277780 0.3938328 0.4676106), wk = 0.0034843 k( 83) = ( 0.2182872 0.3774231 0.4676106), wk = 0.0034843 k( 84) = ( 0.2087965 0.3610134 0.4676106), wk = 0.0034843 k( 85) = ( 0.1993057 0.3446037 0.4676106), wk = 0.0034843 k( 86) = ( 0.1898150 0.3281940 0.4676106), wk = 0.0034843 k( 87) = ( 0.1803242 0.3117843 0.4676106), wk = 0.0034843 k( 88) = ( 0.1708335 0.2953746 0.4676106), wk = 0.0034843 k( 89) = ( 0.1613427 0.2789649 0.4676106), wk = 0.0034843 k( 90) = ( 0.1518520 0.2625552 0.4676106), wk = 0.0034843 k( 91) = ( 0.1423612 0.2461455 0.4676106), wk = 0.0034843 k( 92) = ( 0.1328705 0.2297358 0.4676106), wk = 0.0034843 k( 93) = ( 0.1233797 0.2133261 0.4676106), wk = 0.0034843 k( 94) = ( 0.1138890 0.1969164 0.4676106), wk = 0.0034843 k( 95) = ( 0.1043982 0.1805067 0.4676106), wk = 0.0034843 k( 96) = ( 0.0949075 0.1640970 0.4676106), wk = 0.0034843 k( 97) = ( 0.0854167 0.1476873 0.4676106), wk = 0.0034843 k( 98) = ( 0.0759260 0.1312776 0.4676106), wk = 0.0034843 k( 99) = ( 0.0664352 0.1148679 0.4676106), wk = 0.0034843 k( 100) = ( 0.0569445 0.0984582 0.4676106), wk = 0.0034843 k( 101) = ( 0.0474538 0.0820485 0.4676106), wk = 0.0034843 k( 102) = ( 0.0379630 0.0656388 0.4676106), wk = 0.0034843 k( 103) = ( 0.0284723 0.0492291 0.4676106), wk = 0.0034843 k( 104) = ( 0.0189815 0.0328194 0.4676106), wk = 0.0034843 k( 105) = ( 0.0094907 0.0164097 0.4676106), wk = 0.0034843 k( 106) = ( 0.0000000 0.0000000 0.4676106), wk = 0.0034843 k( 107) = ( 0.0000000 0.0000000 0.4676106), wk = 0.0034843 k( 108) = ( 0.0166667 -0.0096394 0.4676106), wk = 0.0034843 k( 109) = ( 0.0333333 -0.0192787 0.4676106), wk = 0.0034843 k( 110) = ( 0.0500000 -0.0289181 0.4676106), wk = 0.0034843 k( 111) = ( 0.0666667 -0.0385575 0.4676106), wk = 0.0034843 k( 112) = ( 0.0833333 -0.0481968 0.4676106), wk = 0.0034843 k( 113) = ( 0.1000000 -0.0578362 0.4676106), wk = 0.0034843 k( 114) = ( 0.1166667 -0.0674756 0.4676106), wk = 0.0034843 k( 115) = ( 0.1333333 -0.0771149 0.4676106), wk = 0.0034843 k( 116) = ( 0.1500000 -0.0867543 0.4676106), wk = 0.0034843 k( 117) = ( 0.1666667 -0.0963937 0.4676106), wk = 0.0034843 k( 118) = ( 0.1833333 -0.1060330 0.4676106), wk = 0.0034843 k( 119) = ( 0.2000000 -0.1156724 0.4676106), wk = 0.0034843 k( 120) = ( 0.2166667 -0.1253118 0.4676106), wk = 0.0034843 k( 121) = ( 0.2333333 -0.1349511 0.4676106), wk = 0.0034843 k( 122) = ( 0.2500000 -0.1445905 0.4676106), wk = 0.0034843 k( 123) = ( 0.2666667 -0.1542299 0.4676106), wk = 0.0034843 k( 124) = ( 0.2833333 -0.1638693 0.4676106), wk = 0.0034843 k( 125) = ( 0.3000000 -0.1735086 0.4676106), wk = 0.0034843 k( 126) = ( 0.3166667 -0.1831480 0.4676106), wk = 0.0034843 k( 127) = ( 0.3333333 -0.1927874 0.4676106), wk = 0.0034843 k( 128) = ( 0.3500000 -0.2024267 0.4676106), wk = 0.0034843 k( 129) = ( 0.3666667 -0.2120661 0.4676106), wk = 0.0034843 k( 130) = ( 0.3833333 -0.2217055 0.4676106), wk = 0.0034843 k( 131) = ( 0.4000000 -0.2313448 0.4676106), wk = 0.0034843 k( 132) = ( 0.4166667 -0.2409842 0.4676106), wk = 0.0034843 k( 133) = ( 0.4333333 -0.2506236 0.4676106), wk = 0.0034843 k( 134) = ( 0.4500000 -0.2602629 0.4676106), wk = 0.0034843 k( 135) = ( 0.4666667 -0.2699023 0.4676106), wk = 0.0034843 k( 136) = ( 0.4833333 -0.2795417 0.4676106), wk = 0.0034843 k( 137) = ( 0.5000000 -0.2891810 0.4676106), wk = 0.0034843 k( 138) = ( 0.5000000 -0.2891810 0.4676106), wk = 0.0034843 k( 139) = ( 0.5090362 -0.2735572 0.4676106), wk = 0.0034843 k( 140) = ( 0.5180725 -0.2579333 0.4676106), wk = 0.0034843 k( 141) = ( 0.5271087 -0.2423095 0.4676106), wk = 0.0034843 k( 142) = ( 0.5361450 -0.2266857 0.4676106), wk = 0.0034843 k( 143) = ( 0.5451812 -0.2110618 0.4676106), wk = 0.0034843 k( 144) = ( 0.5542174 -0.1954380 0.4676106), wk = 0.0034843 k( 145) = ( 0.5632537 -0.1798141 0.4676106), wk = 0.0034843 k( 146) = ( 0.5722899 -0.1641903 0.4676106), wk = 0.0034843 k( 147) = ( 0.5813262 -0.1485664 0.4676106), wk = 0.0034843 k( 148) = ( 0.5903624 -0.1329426 0.4676106), wk = 0.0034843 k( 149) = ( 0.5993986 -0.1173187 0.4676106), wk = 0.0034843 k( 150) = ( 0.6084349 -0.1016949 0.4676106), wk = 0.0034843 k( 151) = ( 0.6174711 -0.0860710 0.4676106), wk = 0.0034843 k( 152) = ( 0.7152775 0.0830383 0.1534918), wk = 0.0034843 k( 153) = ( 0.7124009 0.0780645 0.1352240), wk = 0.0034843 k( 154) = ( 0.7095242 0.0730907 0.1169563), wk = 0.0034843 k( 155) = ( 0.7066476 0.0681169 0.0986886), wk = 0.0034843 k( 156) = ( 0.7037709 0.0631430 0.0804209), wk = 0.0034843 k( 157) = ( 0.7008942 0.0581692 0.0621532), wk = 0.0034843 k( 158) = ( 0.6980176 0.0531954 0.0438855), wk = 0.0034843 k( 159) = ( 0.6951409 0.0482217 0.0256177), wk = 0.0034843 k( 160) = ( 0.6922643 0.0432478 0.0073500), wk = 0.0034843 k( 161) = ( 0.6893876 0.0382740 -0.0109177), wk = 0.0034843 k( 162) = ( 0.6865109 0.0333002 -0.0291854), wk = 0.0034843 k( 163) = ( 0.6836343 0.0283264 -0.0474531), wk = 0.0034843 k( 164) = ( 0.6807576 0.0233526 -0.0657208), wk = 0.0034843 k( 165) = ( 0.6778810 0.0183788 -0.0839885), wk = 0.0034843 k( 166) = ( 0.6750043 0.0134050 -0.1022563), wk = 0.0034843 k( 167) = ( 0.6721276 0.0084312 -0.1205240), wk = 0.0034843 k( 168) = ( 0.6692510 0.0034574 -0.1387917), wk = 0.0034843 k( 169) = ( 0.6663743 -0.0015164 -0.1570594), wk = 0.0034843 k( 170) = ( 0.6663743 -0.0015164 -0.1570594), wk = 0.0034843 k( 171) = ( 0.6576178 -0.0166566 -0.1487931), wk = 0.0034843 k( 172) = ( 0.6488612 -0.0317969 -0.1405268), wk = 0.0034843 k( 173) = ( 0.6401047 -0.0469371 -0.1322606), wk = 0.0034843 k( 174) = ( 0.6313481 -0.0620774 -0.1239943), wk = 0.0034843 k( 175) = ( 0.6225916 -0.0772176 -0.1157280), wk = 0.0034843 k( 176) = ( 0.6138351 -0.0923578 -0.1074617), wk = 0.0034843 k( 177) = ( 0.6050785 -0.1074981 -0.0991954), wk = 0.0034843 k( 178) = ( 0.5963220 -0.1226383 -0.0909291), wk = 0.0034843 k( 179) = ( 0.5875654 -0.1377786 -0.0826629), wk = 0.0034843 k( 180) = ( 0.5788089 -0.1529188 -0.0743966), wk = 0.0034843 k( 181) = ( 0.5700523 -0.1680591 -0.0661303), wk = 0.0034843 k( 182) = ( 0.5612958 -0.1831993 -0.0578640), wk = 0.0034843 k( 183) = ( 0.5525393 -0.1983396 -0.0495977), wk = 0.0034843 k( 184) = ( 0.5437827 -0.2134798 -0.0413314), wk = 0.0034843 k( 185) = ( 0.5350262 -0.2286201 -0.0330651), wk = 0.0034843 k( 186) = ( 0.5262696 -0.2437603 -0.0247989), wk = 0.0034843 k( 187) = ( 0.5175131 -0.2589005 -0.0165326), wk = 0.0034843 k( 188) = ( 0.5087565 -0.2740408 -0.0082663), wk = 0.0034843 k( 189) = ( 0.5000000 -0.2891810 0.0000000), wk = 0.0034843 k( 190) = ( 0.5000000 -0.2891810 0.0000000), wk = 0.0034843 k( 191) = ( 0.4833333 -0.2795417 0.0000000), wk = 0.0034843 k( 192) = ( 0.4666667 -0.2699023 -0.0000000), wk = 0.0034843 k( 193) = ( 0.4500000 -0.2602629 -0.0000000), wk = 0.0034843 k( 194) = ( 0.4333333 -0.2506236 0.0000000), wk = 0.0034843 k( 195) = ( 0.4166667 -0.2409842 -0.0000000), wk = 0.0034843 k( 196) = ( 0.4000000 -0.2313448 -0.0000000), wk = 0.0034843 k( 197) = ( 0.3833333 -0.2217055 -0.0000000), wk = 0.0034843 k( 198) = ( 0.3666667 -0.2120661 0.0000000), wk = 0.0034843 k( 199) = ( 0.3500000 -0.2024267 0.0000000), wk = 0.0034843 k( 200) = ( 0.3333333 -0.1927874 0.0000000), wk = 0.0034843 k( 201) = ( 0.3166667 -0.1831480 -0.0000000), wk = 0.0034843 k( 202) = ( 0.3000000 -0.1735086 0.0000000), wk = 0.0034843 k( 203) = ( 0.2833333 -0.1638693 0.0000000), wk = 0.0034843 k( 204) = ( 0.2666667 -0.1542299 -0.0000000), wk = 0.0034843 k( 205) = ( 0.2500000 -0.1445905 0.0000000), wk = 0.0034843 k( 206) = ( 0.2333333 -0.1349511 0.0000000), wk = 0.0034843 k( 207) = ( 0.2166667 -0.1253118 -0.0000000), wk = 0.0034843 k( 208) = ( 0.2000000 -0.1156724 -0.0000000), wk = 0.0034843 k( 209) = ( 0.1833333 -0.1060330 0.0000000), wk = 0.0034843 k( 210) = ( 0.1666667 -0.0963937 -0.0000000), wk = 0.0034843 k( 211) = ( 0.1500000 -0.0867543 0.0000000), wk = 0.0034843 k( 212) = ( 0.1333333 -0.0771149 0.0000000), wk = 0.0034843 k( 213) = ( 0.1166667 -0.0674756 -0.0000000), wk = 0.0034843 k( 214) = ( 0.1000000 -0.0578362 -0.0000000), wk = 0.0034843 k( 215) = ( 0.0833333 -0.0481968 0.0000000), wk = 0.0034843 k( 216) = ( 0.0666667 -0.0385575 -0.0000000), wk = 0.0034843 k( 217) = ( 0.0500000 -0.0289181 -0.0000000), wk = 0.0034843 k( 218) = ( 0.0333333 -0.0192787 -0.0000000), wk = 0.0034843 k( 219) = ( 0.0166667 -0.0096394 -0.0000000), wk = 0.0034843 k( 220) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 221) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 222) = ( 0.0161290 0.0092795 -0.0050664), wk = 0.0034843 k( 223) = ( 0.0322581 0.0185590 -0.0101329), wk = 0.0034843 k( 224) = ( 0.0483871 0.0278385 -0.0151993), wk = 0.0034843 k( 225) = ( 0.0645161 0.0371180 -0.0202657), wk = 0.0034843 k( 226) = ( 0.0806452 0.0463975 -0.0253322), wk = 0.0034843 k( 227) = ( 0.0967742 0.0556770 -0.0303986), wk = 0.0034843 k( 228) = ( 0.1129032 0.0649565 -0.0354650), wk = 0.0034843 k( 229) = ( 0.1290323 0.0742360 -0.0405315), wk = 0.0034843 k( 230) = ( 0.1451613 0.0835155 -0.0455979), wk = 0.0034843 k( 231) = ( 0.1612903 0.0927950 -0.0506643), wk = 0.0034843 k( 232) = ( 0.1774194 0.1020746 -0.0557308), wk = 0.0034843 k( 233) = ( 0.1935484 0.1113541 -0.0607972), wk = 0.0034843 k( 234) = ( 0.2096774 0.1206336 -0.0658636), wk = 0.0034843 k( 235) = ( 0.2258064 0.1299131 -0.0709301), wk = 0.0034843 k( 236) = ( 0.2419355 0.1391926 -0.0759965), wk = 0.0034843 k( 237) = ( 0.2580645 0.1484721 -0.0810629), wk = 0.0034843 k( 238) = ( 0.2741936 0.1577516 -0.0861294), wk = 0.0034843 k( 239) = ( 0.2903226 0.1670311 -0.0911958), wk = 0.0034843 k( 240) = ( 0.3064516 0.1763106 -0.0962622), wk = 0.0034843 k( 241) = ( 0.3225807 0.1855901 -0.1013287), wk = 0.0034843 k( 242) = ( 0.3387097 0.1948696 -0.1063951), wk = 0.0034843 k( 243) = ( 0.3548387 0.2041491 -0.1114615), wk = 0.0034843 k( 244) = ( 0.3709677 0.2134286 -0.1165279), wk = 0.0034843 k( 245) = ( 0.3870968 0.2227081 -0.1215944), wk = 0.0034843 k( 246) = ( 0.4032258 0.2319876 -0.1266608), wk = 0.0034843 k( 247) = ( 0.4193548 0.2412671 -0.1317272), wk = 0.0034843 k( 248) = ( 0.4354839 0.2505466 -0.1367937), wk = 0.0034843 k( 249) = ( 0.4516129 0.2598261 -0.1418601), wk = 0.0034843 k( 250) = ( 0.4677419 0.2691056 -0.1469265), wk = 0.0034843 k( 251) = ( 0.4838710 0.2783852 -0.1519930), wk = 0.0034843 k( 252) = ( 0.5000000 0.2876647 -0.1570594), wk = 0.0034843 k( 253) = ( 0.5000000 0.2876647 0.3105512), wk = 0.0034843 k( 254) = ( 0.4852941 0.2792039 0.3014173), wk = 0.0034843 k( 255) = ( 0.4705882 0.2707432 0.2922835), wk = 0.0034843 k( 256) = ( 0.4558823 0.2622825 0.2831496), wk = 0.0034843 k( 257) = ( 0.4411765 0.2538218 0.2740157), wk = 0.0034843 k( 258) = ( 0.4264706 0.2453610 0.2648819), wk = 0.0034843 k( 259) = ( 0.4117647 0.2369003 0.2557480), wk = 0.0034843 k( 260) = ( 0.3970588 0.2284396 0.2466142), wk = 0.0034843 k( 261) = ( 0.3823529 0.2199789 0.2374803), wk = 0.0034843 k( 262) = ( 0.3676471 0.2115181 0.2283464), wk = 0.0034843 k( 263) = ( 0.3529412 0.2030574 0.2192126), wk = 0.0034843 k( 264) = ( 0.3382353 0.1945967 0.2100787), wk = 0.0034843 k( 265) = ( 0.3235294 0.1861360 0.2009449), wk = 0.0034843 k( 266) = ( 0.3088235 0.1776752 0.1918110), wk = 0.0034843 k( 267) = ( 0.2941177 0.1692145 0.1826772), wk = 0.0034843 k( 268) = ( 0.2794118 0.1607538 0.1735433), wk = 0.0034843 k( 269) = ( 0.2647059 0.1522931 0.1644094), wk = 0.0034843 k( 270) = ( 0.2500000 0.1438323 0.1552756), wk = 0.0034843 k( 271) = ( 0.2352941 0.1353716 0.1461417), wk = 0.0034843 k( 272) = ( 0.2205882 0.1269109 0.1370079), wk = 0.0034843 k( 273) = ( 0.2058823 0.1184502 0.1278740), wk = 0.0034843 k( 274) = ( 0.1911765 0.1099894 0.1187402), wk = 0.0034843 k( 275) = ( 0.1764706 0.1015287 0.1096063), wk = 0.0034843 k( 276) = ( 0.1617647 0.0930680 0.1004724), wk = 0.0034843 k( 277) = ( 0.1470588 0.0846072 0.0913386), wk = 0.0034843 k( 278) = ( 0.1323529 0.0761465 0.0822047), wk = 0.0034843 k( 279) = ( 0.1176471 0.0676858 0.0730709), wk = 0.0034843 k( 280) = ( 0.1029412 0.0592251 0.0639370), wk = 0.0034843 k( 281) = ( 0.0882353 0.0507643 0.0548031), wk = 0.0034843 k( 282) = ( 0.0735294 0.0423036 0.0456693), wk = 0.0034843 k( 283) = ( 0.0588235 0.0338429 0.0365354), wk = 0.0034843 k( 284) = ( 0.0441177 0.0253822 0.0274016), wk = 0.0034843 k( 285) = ( 0.0294118 0.0169214 0.0182677), wk = 0.0034843 k( 286) = ( 0.0147059 0.0084607 0.0091339), wk = 0.0034843 k( 287) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 2) = ( 0.0092674 0.0092674 0.0015604), wk = 0.0034843 k( 3) = ( 0.0185348 0.0185348 0.0031209), wk = 0.0034843 k( 4) = ( 0.0278021 0.0278021 0.0046813), wk = 0.0034843 k( 5) = ( 0.0370695 0.0370695 0.0062418), wk = 0.0034843 k( 6) = ( 0.0463369 0.0463369 0.0078022), wk = 0.0034843 k( 7) = ( 0.0556043 0.0556043 0.0093626), wk = 0.0034843 k( 8) = ( 0.0648717 0.0648717 0.0109231), wk = 0.0034843 k( 9) = ( 0.0741390 0.0741390 0.0124835), wk = 0.0034843 k( 10) = ( 0.0834064 0.0834064 0.0140439), wk = 0.0034843 k( 11) = ( 0.0926738 0.0926738 0.0156044), wk = 0.0034843 k( 12) = ( 0.1019412 0.1019412 0.0171648), wk = 0.0034843 k( 13) = ( 0.1112086 0.1112086 0.0187253), wk = 0.0034843 k( 14) = ( 0.1204759 0.1204759 0.0202857), wk = 0.0034843 k( 15) = ( 0.1297433 0.1297433 0.0218461), wk = 0.0034843 k( 16) = ( 0.1390107 0.1390107 0.0234066), wk = 0.0034843 k( 17) = ( 0.1482781 0.1482781 0.0249670), wk = 0.0034843 k( 18) = ( 0.1575455 0.1575455 0.0265275), wk = 0.0034843 k( 19) = ( 0.1668128 0.1668128 0.0280879), wk = 0.0034843 k( 20) = ( 0.1760802 0.1760802 0.0296483), wk = 0.0034843 k( 21) = ( 0.1853476 0.1853476 0.0312088), wk = 0.0034843 k( 22) = ( 0.1946150 0.1946150 0.0327692), wk = 0.0034843 k( 23) = ( 0.2038824 0.2038824 0.0343297), wk = 0.0034843 k( 24) = ( 0.2131497 0.2131497 0.0358901), wk = 0.0034843 k( 25) = ( 0.2224171 0.2224171 0.0374505), wk = 0.0034843 k( 26) = ( 0.2316845 0.2316845 0.0390110), wk = 0.0034843 k( 27) = ( 0.2409519 0.2409519 0.0405714), wk = 0.0034843 k( 28) = ( 0.2502193 0.2502192 0.0421318), wk = 0.0034843 k( 29) = ( 0.2594866 0.2594866 0.0436923), wk = 0.0034843 k( 30) = ( 0.2687540 0.2687540 0.0452527), wk = 0.0034843 k( 31) = ( 0.2780214 0.2780214 0.0468132), wk = 0.0034843 k( 32) = ( 0.2872888 0.2872888 0.0483736), wk = 0.0034843 k( 33) = ( 0.2965562 0.2965561 0.0499340), wk = 0.0034843 k( 34) = ( 0.3058235 0.3058235 0.0514945), wk = 0.0034843 k( 35) = ( 0.3150909 0.3150909 0.0530549), wk = 0.0034843 k( 36) = ( 0.3243583 0.3243583 0.0546154), wk = 0.0034843 k( 37) = ( 0.3336257 0.3336257 0.0561758), wk = 0.0034843 k( 38) = ( 0.3336257 0.3336257 0.0561758), wk = 0.0034843 k( 39) = ( 0.3365023 0.3365023 0.0776413), wk = 0.0034843 k( 40) = ( 0.3393790 0.3393790 0.0991067), wk = 0.0034843 k( 41) = ( 0.3422557 0.3422557 0.1205721), wk = 0.0034843 k( 42) = ( 0.3451323 0.3451323 0.1420376), wk = 0.0034843 k( 43) = ( 0.3480090 0.3480090 0.1635030), wk = 0.0034843 k( 44) = ( 0.3508856 0.3508856 0.1849685), wk = 0.0034843 k( 45) = ( 0.3537623 0.3537623 0.2064339), wk = 0.0034843 k( 46) = ( 0.3566389 0.3566389 0.2278994), wk = 0.0034843 k( 47) = ( 0.3595156 0.3595156 0.2493648), wk = 0.0034843 k( 48) = ( 0.3623923 0.3623923 0.2708303), wk = 0.0034843 k( 49) = ( 0.3652689 0.3652689 0.2922957), wk = 0.0034843 k( 50) = ( 0.3681456 0.3681456 0.3137612), wk = 0.0034843 k( 51) = ( 0.3710222 0.3710222 0.3352266), wk = 0.0034843 k( 52) = ( 0.3738989 0.3738989 0.3566921), wk = 0.0034843 k( 53) = ( 0.3767756 0.3767756 0.3781575), wk = 0.0034843 k( 54) = ( 0.3796522 0.3796522 0.3996230), wk = 0.0034843 k( 55) = ( 0.3825289 0.3825289 0.4210884), wk = 0.0034843 k( 56) = ( 0.3825289 0.3825289 0.4210884), wk = 0.0034843 k( 57) = ( 0.3773812 0.3773812 0.4353081), wk = 0.0034843 k( 58) = ( 0.3722335 0.3722335 0.4495279), wk = 0.0034843 k( 59) = ( 0.3670858 0.3670858 0.4637476), wk = 0.0034843 k( 60) = ( 0.3619381 0.3619381 0.4779673), wk = 0.0034843 k( 61) = ( 0.3567903 0.3567903 0.4921870), wk = 0.0034843 k( 62) = ( 0.3516426 0.3516426 0.5064068), wk = 0.0034843 k( 63) = ( 0.3464949 0.3464949 0.5206265), wk = 0.0034843 k( 64) = ( 0.3413472 0.3413472 0.5348462), wk = 0.0034843 k( 65) = ( 0.3361995 0.3361995 0.5490659), wk = 0.0034843 k( 66) = ( 0.3310518 0.3310518 0.5632857), wk = 0.0034843 k( 67) = ( 0.3259041 0.3259041 0.5775054), wk = 0.0034843 k( 68) = ( 0.3207564 0.3207564 0.5917251), wk = 0.0034843 k( 69) = ( 0.3156087 0.3156087 0.6059448), wk = 0.0034843 k( 70) = ( 0.3104610 0.3104610 0.6201646), wk = 0.0034843 k( 71) = ( 0.3053133 0.3053133 0.6343843), wk = 0.0034843 k( 72) = ( 0.3001656 0.3001656 0.6486040), wk = 0.0034843 k( 73) = ( 0.2950179 0.2950179 0.6628237), wk = 0.0034843 k( 74) = ( 0.2898702 0.2898702 0.6770435), wk = 0.0034843 k( 75) = ( 0.2847225 0.2847225 0.6912632), wk = 0.0034843 k( 76) = ( 0.2847225 0.2847225 0.6912632), wk = 0.0034843 k( 77) = ( 0.2752317 0.2752317 0.6848877), wk = 0.0034843 k( 78) = ( 0.2657410 0.2657410 0.6785123), wk = 0.0034843 k( 79) = ( 0.2562502 0.2562502 0.6721369), wk = 0.0034843 k( 80) = ( 0.2467595 0.2467595 0.6657614), wk = 0.0034843 k( 81) = ( 0.2372687 0.2372687 0.6593860), wk = 0.0034843 k( 82) = ( 0.2277780 0.2277780 0.6530105), wk = 0.0034843 k( 83) = ( 0.2182872 0.2182872 0.6466351), wk = 0.0034843 k( 84) = ( 0.2087965 0.2087965 0.6402597), wk = 0.0034843 k( 85) = ( 0.1993057 0.1993057 0.6338842), wk = 0.0034843 k( 86) = ( 0.1898150 0.1898150 0.6275088), wk = 0.0034843 k( 87) = ( 0.1803242 0.1803242 0.6211334), wk = 0.0034843 k( 88) = ( 0.1708335 0.1708335 0.6147579), wk = 0.0034843 k( 89) = ( 0.1613427 0.1613427 0.6083825), wk = 0.0034843 k( 90) = ( 0.1518520 0.1518520 0.6020070), wk = 0.0034843 k( 91) = ( 0.1423612 0.1423612 0.5956316), wk = 0.0034843 k( 92) = ( 0.1328705 0.1328705 0.5892561), wk = 0.0034843 k( 93) = ( 0.1233797 0.1233797 0.5828807), wk = 0.0034843 k( 94) = ( 0.1138890 0.1138890 0.5765053), wk = 0.0034843 k( 95) = ( 0.1043982 0.1043982 0.5701298), wk = 0.0034843 k( 96) = ( 0.0949075 0.0949075 0.5637544), wk = 0.0034843 k( 97) = ( 0.0854167 0.0854167 0.5573790), wk = 0.0034843 k( 98) = ( 0.0759260 0.0759260 0.5510035), wk = 0.0034843 k( 99) = ( 0.0664352 0.0664352 0.5446281), wk = 0.0034843 k( 100) = ( 0.0569445 0.0569445 0.5382526), wk = 0.0034843 k( 101) = ( 0.0474538 0.0474538 0.5318772), wk = 0.0034843 k( 102) = ( 0.0379630 0.0379630 0.5255018), wk = 0.0034843 k( 103) = ( 0.0284723 0.0284723 0.5191263), wk = 0.0034843 k( 104) = ( 0.0189815 0.0189815 0.5127509), wk = 0.0034843 k( 105) = ( 0.0094907 0.0094907 0.5063754), wk = 0.0034843 k( 106) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034843 k( 107) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034843 k( 108) = ( 0.0166667 -0.0166667 0.5000000), wk = 0.0034843 k( 109) = ( 0.0333333 -0.0333333 0.5000000), wk = 0.0034843 k( 110) = ( 0.0500000 -0.0500000 0.5000000), wk = 0.0034843 k( 111) = ( 0.0666667 -0.0666667 0.5000000), wk = 0.0034843 k( 112) = ( 0.0833333 -0.0833333 0.5000000), wk = 0.0034843 k( 113) = ( 0.1000000 -0.1000000 0.5000000), wk = 0.0034843 k( 114) = ( 0.1166667 -0.1166667 0.5000000), wk = 0.0034843 k( 115) = ( 0.1333333 -0.1333333 0.5000000), wk = 0.0034843 k( 116) = ( 0.1500000 -0.1500000 0.5000000), wk = 0.0034843 k( 117) = ( 0.1666667 -0.1666667 0.5000000), wk = 0.0034843 k( 118) = ( 0.1833333 -0.1833333 0.5000000), wk = 0.0034843 k( 119) = ( 0.2000000 -0.2000000 0.5000000), wk = 0.0034843 k( 120) = ( 0.2166667 -0.2166667 0.5000000), wk = 0.0034843 k( 121) = ( 0.2333333 -0.2333333 0.5000000), wk = 0.0034843 k( 122) = ( 0.2500000 -0.2500000 0.5000000), wk = 0.0034843 k( 123) = ( 0.2666667 -0.2666667 0.5000000), wk = 0.0034843 k( 124) = ( 0.2833333 -0.2833333 0.5000000), wk = 0.0034843 k( 125) = ( 0.3000000 -0.3000000 0.5000000), wk = 0.0034843 k( 126) = ( 0.3166667 -0.3166667 0.5000000), wk = 0.0034843 k( 127) = ( 0.3333333 -0.3333333 0.5000000), wk = 0.0034843 k( 128) = ( 0.3500000 -0.3500000 0.5000000), wk = 0.0034843 k( 129) = ( 0.3666667 -0.3666667 0.5000000), wk = 0.0034843 k( 130) = ( 0.3833333 -0.3833333 0.5000000), wk = 0.0034843 k( 131) = ( 0.4000000 -0.4000000 0.5000000), wk = 0.0034843 k( 132) = ( 0.4166667 -0.4166667 0.5000000), wk = 0.0034843 k( 133) = ( 0.4333333 -0.4333333 0.5000000), wk = 0.0034843 k( 134) = ( 0.4500000 -0.4500000 0.5000000), wk = 0.0034843 k( 135) = ( 0.4666667 -0.4666667 0.5000000), wk = 0.0034843 k( 136) = ( 0.4833333 -0.4833333 0.5000000), wk = 0.0034843 k( 137) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0034843 k( 138) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0034843 k( 139) = ( 0.5090362 -0.4909638 0.5060701), wk = 0.0034843 k( 140) = ( 0.5180725 -0.4819275 0.5121402), wk = 0.0034843 k( 141) = ( 0.5271087 -0.4728913 0.5182104), wk = 0.0034843 k( 142) = ( 0.5361450 -0.4638550 0.5242805), wk = 0.0034843 k( 143) = ( 0.5451812 -0.4548188 0.5303506), wk = 0.0034843 k( 144) = ( 0.5542174 -0.4457826 0.5364207), wk = 0.0034843 k( 145) = ( 0.5632537 -0.4367463 0.5424908), wk = 0.0034843 k( 146) = ( 0.5722899 -0.4277101 0.5485610), wk = 0.0034843 k( 147) = ( 0.5813262 -0.4186738 0.5546311), wk = 0.0034843 k( 148) = ( 0.5903624 -0.4096376 0.5607012), wk = 0.0034843 k( 149) = ( 0.5993986 -0.4006014 0.5667713), wk = 0.0034843 k( 150) = ( 0.6084349 -0.3915651 0.5728415), wk = 0.0034843 k( 151) = ( 0.6174711 -0.3825289 0.5789116), wk = 0.0034843 k( 152) = ( 0.7152775 -0.2847225 0.3087368), wk = 0.0034843 k( 153) = ( 0.7124009 -0.2875991 0.2872714), wk = 0.0034843 k( 154) = ( 0.7095242 -0.2904758 0.2658059), wk = 0.0034843 k( 155) = ( 0.7066476 -0.2933525 0.2443405), wk = 0.0034843 k( 156) = ( 0.7037709 -0.2962291 0.2228750), wk = 0.0034843 k( 157) = ( 0.7008942 -0.2991058 0.2014096), wk = 0.0034843 k( 158) = ( 0.6980176 -0.3019824 0.1799441), wk = 0.0034843 k( 159) = ( 0.6951409 -0.3048591 0.1584787), wk = 0.0034843 k( 160) = ( 0.6922643 -0.3077357 0.1370132), wk = 0.0034843 k( 161) = ( 0.6893876 -0.3106124 0.1155478), wk = 0.0034843 k( 162) = ( 0.6865109 -0.3134891 0.0940823), wk = 0.0034843 k( 163) = ( 0.6836343 -0.3163657 0.0726169), wk = 0.0034843 k( 164) = ( 0.6807576 -0.3192424 0.0511514), wk = 0.0034843 k( 165) = ( 0.6778810 -0.3221190 0.0296860), wk = 0.0034843 k( 166) = ( 0.6750043 -0.3249957 0.0082205), wk = 0.0034843 k( 167) = ( 0.6721276 -0.3278724 -0.0132449), wk = 0.0034843 k( 168) = ( 0.6692510 -0.3307490 -0.0347103), wk = 0.0034843 k( 169) = ( 0.6663743 -0.3336257 -0.0561758), wk = 0.0034843 k( 170) = ( 0.6663743 -0.3336257 -0.0561758), wk = 0.0034843 k( 171) = ( 0.6576178 -0.3423822 -0.0532192), wk = 0.0034843 k( 172) = ( 0.6488612 -0.3511388 -0.0502626), wk = 0.0034843 k( 173) = ( 0.6401047 -0.3598953 -0.0473059), wk = 0.0034843 k( 174) = ( 0.6313481 -0.3686519 -0.0443493), wk = 0.0034843 k( 175) = ( 0.6225916 -0.3774084 -0.0413927), wk = 0.0034843 k( 176) = ( 0.6138351 -0.3861649 -0.0384361), wk = 0.0034843 k( 177) = ( 0.6050785 -0.3949215 -0.0354794), wk = 0.0034843 k( 178) = ( 0.5963220 -0.4036780 -0.0325228), wk = 0.0034843 k( 179) = ( 0.5875654 -0.4124346 -0.0295662), wk = 0.0034843 k( 180) = ( 0.5788089 -0.4211911 -0.0266096), wk = 0.0034843 k( 181) = ( 0.5700523 -0.4299477 -0.0236530), wk = 0.0034843 k( 182) = ( 0.5612958 -0.4387042 -0.0206963), wk = 0.0034843 k( 183) = ( 0.5525393 -0.4474607 -0.0177397), wk = 0.0034843 k( 184) = ( 0.5437827 -0.4562173 -0.0147831), wk = 0.0034843 k( 185) = ( 0.5350262 -0.4649738 -0.0118265), wk = 0.0034843 k( 186) = ( 0.5262696 -0.4737304 -0.0088699), wk = 0.0034843 k( 187) = ( 0.5175131 -0.4824869 -0.0059132), wk = 0.0034843 k( 188) = ( 0.5087565 -0.4912435 -0.0029566), wk = 0.0034843 k( 189) = ( 0.5000000 -0.5000000 0.0000000), wk = 0.0034843 k( 190) = ( 0.5000000 -0.5000000 0.0000000), wk = 0.0034843 k( 191) = ( 0.4833333 -0.4833333 0.0000000), wk = 0.0034843 k( 192) = ( 0.4666667 -0.4666667 0.0000000), wk = 0.0034843 k( 193) = ( 0.4500000 -0.4500000 -0.0000000), wk = 0.0034843 k( 194) = ( 0.4333333 -0.4333333 0.0000000), wk = 0.0034843 k( 195) = ( 0.4166667 -0.4166667 0.0000000), wk = 0.0034843 k( 196) = ( 0.4000000 -0.4000000 -0.0000000), wk = 0.0034843 k( 197) = ( 0.3833333 -0.3833333 -0.0000000), wk = 0.0034843 k( 198) = ( 0.3666667 -0.3666667 -0.0000000), wk = 0.0034843 k( 199) = ( 0.3500000 -0.3500000 -0.0000000), wk = 0.0034843 k( 200) = ( 0.3333333 -0.3333333 0.0000000), wk = 0.0034843 k( 201) = ( 0.3166667 -0.3166667 0.0000000), wk = 0.0034843 k( 202) = ( 0.3000000 -0.3000000 -0.0000000), wk = 0.0034843 k( 203) = ( 0.2833333 -0.2833333 0.0000000), wk = 0.0034843 k( 204) = ( 0.2666667 -0.2666667 0.0000000), wk = 0.0034843 k( 205) = ( 0.2500000 -0.2500000 0.0000000), wk = 0.0034843 k( 206) = ( 0.2333333 -0.2333333 -0.0000000), wk = 0.0034843 k( 207) = ( 0.2166667 -0.2166667 -0.0000000), wk = 0.0034843 k( 208) = ( 0.2000000 -0.2000000 -0.0000000), wk = 0.0034843 k( 209) = ( 0.1833333 -0.1833333 0.0000000), wk = 0.0034843 k( 210) = ( 0.1666667 -0.1666667 -0.0000000), wk = 0.0034843 k( 211) = ( 0.1500000 -0.1500000 -0.0000000), wk = 0.0034843 k( 212) = ( 0.1333333 -0.1333333 0.0000000), wk = 0.0034843 k( 213) = ( 0.1166667 -0.1166667 -0.0000000), wk = 0.0034843 k( 214) = ( 0.1000000 -0.1000000 -0.0000000), wk = 0.0034843 k( 215) = ( 0.0833333 -0.0833333 0.0000000), wk = 0.0034843 k( 216) = ( 0.0666667 -0.0666667 -0.0000000), wk = 0.0034843 k( 217) = ( 0.0500000 -0.0500000 -0.0000000), wk = 0.0034843 k( 218) = ( 0.0333333 -0.0333333 0.0000000), wk = 0.0034843 k( 219) = ( 0.0166667 -0.0166667 -0.0000000), wk = 0.0034843 k( 220) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 221) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 222) = ( 0.0161290 0.0000000 0.0000000), wk = 0.0034843 k( 223) = ( 0.0322581 0.0000000 0.0000000), wk = 0.0034843 k( 224) = ( 0.0483871 -0.0000000 0.0000000), wk = 0.0034843 k( 225) = ( 0.0645161 -0.0000000 -0.0000000), wk = 0.0034843 k( 226) = ( 0.0806452 -0.0000000 -0.0000000), wk = 0.0034843 k( 227) = ( 0.0967742 -0.0000000 -0.0000000), wk = 0.0034843 k( 228) = ( 0.1129032 -0.0000000 -0.0000000), wk = 0.0034843 k( 229) = ( 0.1290323 -0.0000000 -0.0000000), wk = 0.0034843 k( 230) = ( 0.1451613 -0.0000000 0.0000000), wk = 0.0034843 k( 231) = ( 0.1612903 -0.0000000 -0.0000000), wk = 0.0034843 k( 232) = ( 0.1774194 -0.0000000 0.0000000), wk = 0.0034843 k( 233) = ( 0.1935484 -0.0000000 0.0000000), wk = 0.0034843 k( 234) = ( 0.2096774 -0.0000000 -0.0000000), wk = 0.0034843 k( 235) = ( 0.2258064 -0.0000000 0.0000000), wk = 0.0034843 k( 236) = ( 0.2419355 -0.0000000 -0.0000000), wk = 0.0034843 k( 237) = ( 0.2580645 -0.0000000 -0.0000000), wk = 0.0034843 k( 238) = ( 0.2741936 -0.0000000 0.0000000), wk = 0.0034843 k( 239) = ( 0.2903226 -0.0000000 0.0000000), wk = 0.0034843 k( 240) = ( 0.3064516 -0.0000000 -0.0000000), wk = 0.0034843 k( 241) = ( 0.3225807 -0.0000000 -0.0000000), wk = 0.0034843 k( 242) = ( 0.3387097 -0.0000000 0.0000000), wk = 0.0034843 k( 243) = ( 0.3548387 -0.0000000 0.0000000), wk = 0.0034843 k( 244) = ( 0.3709677 -0.0000000 -0.0000000), wk = 0.0034843 k( 245) = ( 0.3870968 -0.0000000 0.0000000), wk = 0.0034843 k( 246) = ( 0.4032258 -0.0000000 0.0000000), wk = 0.0034843 k( 247) = ( 0.4193548 -0.0000000 -0.0000000), wk = 0.0034843 k( 248) = ( 0.4354839 -0.0000000 -0.0000000), wk = 0.0034843 k( 249) = ( 0.4516129 -0.0000000 0.0000000), wk = 0.0034843 k( 250) = ( 0.4677419 -0.0000000 0.0000000), wk = 0.0034843 k( 251) = ( 0.4838710 -0.0000000 -0.0000000), wk = 0.0034843 k( 252) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0034843 k( 253) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0034843 k( 254) = ( 0.4852941 -0.0000000 0.4852941), wk = 0.0034843 k( 255) = ( 0.4705882 -0.0000000 0.4705882), wk = 0.0034843 k( 256) = ( 0.4558823 0.0000000 0.4558823), wk = 0.0034843 k( 257) = ( 0.4411765 -0.0000000 0.4411765), wk = 0.0034843 k( 258) = ( 0.4264706 -0.0000000 0.4264706), wk = 0.0034843 k( 259) = ( 0.4117647 -0.0000000 0.4117647), wk = 0.0034843 k( 260) = ( 0.3970588 -0.0000000 0.3970588), wk = 0.0034843 k( 261) = ( 0.3823529 -0.0000000 0.3823529), wk = 0.0034843 k( 262) = ( 0.3676471 -0.0000000 0.3676471), wk = 0.0034843 k( 263) = ( 0.3529412 -0.0000000 0.3529412), wk = 0.0034843 k( 264) = ( 0.3382353 -0.0000000 0.3382353), wk = 0.0034843 k( 265) = ( 0.3235294 -0.0000000 0.3235294), wk = 0.0034843 k( 266) = ( 0.3088235 -0.0000000 0.3088235), wk = 0.0034843 k( 267) = ( 0.2941177 -0.0000000 0.2941177), wk = 0.0034843 k( 268) = ( 0.2794118 -0.0000000 0.2794118), wk = 0.0034843 k( 269) = ( 0.2647059 -0.0000000 0.2647059), wk = 0.0034843 k( 270) = ( 0.2500000 -0.0000000 0.2500000), wk = 0.0034843 k( 271) = ( 0.2352941 -0.0000000 0.2352941), wk = 0.0034843 k( 272) = ( 0.2205882 -0.0000000 0.2205882), wk = 0.0034843 k( 273) = ( 0.2058823 -0.0000000 0.2058823), wk = 0.0034843 k( 274) = ( 0.1911765 -0.0000000 0.1911765), wk = 0.0034843 k( 275) = ( 0.1764706 -0.0000000 0.1764706), wk = 0.0034843 k( 276) = ( 0.1617647 -0.0000000 0.1617647), wk = 0.0034843 k( 277) = ( 0.1470588 -0.0000000 0.1470588), wk = 0.0034843 k( 278) = ( 0.1323529 -0.0000000 0.1323529), wk = 0.0034843 k( 279) = ( 0.1176471 -0.0000000 0.1176471), wk = 0.0034843 k( 280) = ( 0.1029412 -0.0000000 0.1029412), wk = 0.0034843 k( 281) = ( 0.0882353 -0.0000000 0.0882353), wk = 0.0034843 k( 282) = ( 0.0735294 -0.0000000 0.0735294), wk = 0.0034843 k( 283) = ( 0.0588235 -0.0000000 0.0588235), wk = 0.0034843 k( 284) = ( 0.0441177 -0.0000000 0.0441177), wk = 0.0034843 k( 285) = ( 0.0294118 -0.0000000 0.0294118), wk = 0.0034843 k( 286) = ( 0.0147059 -0.0000000 0.0147059), wk = 0.0034843 k( 287) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 Dense grid: 88177 G-vectors FFT dimensions: ( 60, 60, 64) Smooth grid: 52939 G-vectors FFT dimensions: ( 48, 48, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.24 Mb ( 194, 80) NL pseudopotentials 0.33 Mb ( 97, 220) Each V/rho on FFT grid 0.05 Mb ( 3600) Each G-vector array 0.01 Mb ( 1224) G-vector shells 0.01 Mb ( 1117) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.95 Mb ( 194, 320) Each subspace H/S matrix 0.04 Mb ( 53, 53) Each matrix 0.54 Mb ( 220, 2, 80) The potential is recalculated from file : ./NiPSe3.save/charge-density.dat Starting wfc are 100 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.8 secs Computing kpt #: 2 total cpu time spent up to now is 5.3 secs Computing kpt #: 3 total cpu time spent up to now is 6.7 secs Computing kpt #: 4 total cpu time spent up to now is 8.0 secs Computing kpt #: 5 total cpu time spent up to now is 9.5 secs Computing kpt #: 6 total cpu time spent up to now is 10.9 secs Computing kpt #: 7 total cpu time spent up to now is 12.6 secs Computing kpt #: 8 total cpu time spent up to now is 14.0 secs Computing kpt #: 9 total cpu time spent up to now is 15.5 secs Computing kpt #: 10 total cpu time spent up to now is 16.9 secs Computing kpt #: 11 total cpu time spent up to now is 18.5 secs Computing kpt #: 12 total cpu time spent up to now is 19.8 secs Computing kpt #: 13 total cpu time spent up to now is 21.3 secs Computing kpt #: 14 total cpu time spent up to now is 22.8 secs Computing kpt #: 15 total cpu time spent up to now is 24.4 secs Computing kpt #: 16 total cpu time spent up to now is 25.8 secs Computing kpt #: 17 total cpu time spent up to now is 27.4 secs Computing kpt #: 18 total cpu time spent up to now is 29.0 secs Computing kpt #: 19 total cpu time spent up to now is 30.6 secs Computing kpt #: 20 total cpu time spent up to now is 32.0 secs Computing kpt #: 21 total cpu time spent up to now is 33.4 secs Computing kpt #: 22 total cpu time spent up to now is 35.0 secs Computing kpt #: 23 total cpu time spent up to now is 36.6 secs Computing kpt #: 24 total cpu time spent up to now is 38.1 secs Computing kpt #: 25 total cpu time spent up to now is 39.6 secs Computing kpt #: 26 total cpu time spent up to now is 41.1 secs Computing kpt #: 27 total cpu time spent up to now is 42.5 secs Computing kpt #: 28 total cpu time spent up to now is 44.1 secs Computing kpt #: 29 total cpu time spent up to now is 45.5 secs Computing kpt #: 30 total cpu time spent up to now is 47.2 secs Computing kpt #: 31 total cpu time spent up to now is 48.6 secs Computing kpt #: 32 total cpu time spent up to now is 50.1 secs Computing kpt #: 33 total cpu time spent up to now is 51.5 secs Computing kpt #: 34 total cpu time spent up to now is 53.1 secs Computing kpt #: 35 total cpu time spent up to now is 54.5 secs Computing kpt #: 36 total cpu time spent up to now is 56.0 secs Computing kpt #: 37 total cpu time spent up to now is 57.5 secs Computing kpt #: 38 total cpu time spent up to now is 58.9 secs Computing kpt #: 39 total cpu time spent up to now is 60.3 secs Computing kpt #: 40 total cpu time spent up to now is 61.7 secs Computing kpt #: 41 total cpu time spent up to now is 63.2 secs Computing kpt #: 42 total cpu time spent up to now is 64.7 secs Computing kpt #: 43 total cpu time spent up to now is 66.1 secs Computing kpt #: 44 total cpu time spent up to now is 67.6 secs Computing kpt #: 45 total cpu time spent up to now is 69.0 secs Computing kpt #: 46 total cpu time spent up to now is 70.4 secs Computing kpt #: 47 total cpu time spent up to now is 71.7 secs Computing kpt #: 48 total cpu time spent up to now is 73.2 secs Computing kpt #: 49 total cpu time spent up to now is 74.7 secs Computing kpt #: 50 total cpu time spent up to now is 76.1 secs Computing kpt #: 51 total cpu time spent up to now is 77.7 secs Computing kpt #: 52 total cpu time spent up to now is 79.1 secs Computing kpt #: 53 total cpu time spent up to now is 80.4 secs Computing kpt #: 54 total cpu time spent up to now is 81.8 secs Computing kpt #: 55 total cpu time spent up to now is 83.2 secs Computing kpt #: 56 total cpu time spent up to now is 84.8 secs Computing kpt #: 57 total cpu time spent up to now is 86.3 secs Computing kpt #: 58 total cpu time spent up to now is 87.8 secs Computing kpt #: 59 total cpu time spent up to now is 89.3 secs Computing kpt #: 60 total cpu time spent up to now is 90.7 secs Computing kpt #: 61 total cpu time spent up to now is 92.2 secs Computing kpt #: 62 total cpu time spent up to now is 93.7 secs Computing kpt #: 63 total cpu time spent up to now is 95.2 secs Computing kpt #: 64 total cpu time spent up to now is 96.7 secs Computing kpt #: 65 total cpu time spent up to now is 98.2 secs Computing kpt #: 66 total cpu time spent up to now is 100.0 secs Computing kpt #: 67 total cpu time spent up to now is 101.6 secs Computing kpt #: 68 total cpu time spent up to now is 103.2 secs Computing kpt #: 69 total cpu time spent up to now is 104.6 secs Computing kpt #: 70 total cpu time spent up to now is 106.2 secs Computing kpt #: 71 total cpu time spent up to now is 107.7 secs Computing kpt #: 72 total cpu time spent up to now is 109.2 secs Computing kpt #: 73 total cpu time spent up to now is 110.7 secs Computing kpt #: 74 total cpu time spent up to now is 112.2 secs Computing kpt #: 75 total cpu time spent up to now is 113.7 secs Computing kpt #: 76 total cpu time spent up to now is 115.4 secs Computing kpt #: 77 total cpu time spent up to now is 116.8 secs Computing kpt #: 78 total cpu time spent up to now is 118.4 secs Computing kpt #: 79 total cpu time spent up to now is 119.8 secs Computing kpt #: 80 total cpu time spent up to now is 121.2 secs Computing kpt #: 81 total cpu time spent up to now is 122.6 secs Computing kpt #: 82 total cpu time spent up to now is 124.1 secs Computing kpt #: 83 total cpu time spent up to now is 125.7 secs Computing kpt #: 84 total cpu time spent up to now is 127.2 secs Computing kpt #: 85 total cpu time spent up to now is 128.6 secs Computing kpt #: 86 total cpu time spent up to now is 129.9 secs Computing kpt #: 87 total cpu time spent up to now is 131.4 secs Computing kpt #: 88 total cpu time spent up to now is 132.9 secs Computing kpt #: 89 total cpu time spent up to now is 134.4 secs Computing kpt #: 90 total cpu time spent up to now is 136.0 secs Computing kpt #: 91 total cpu time spent up to now is 137.5 secs Computing kpt #: 92 total cpu time spent up to now is 139.0 secs Computing kpt #: 93 total cpu time spent up to now is 140.4 secs Computing kpt #: 94 total cpu time spent up to now is 141.8 secs Computing kpt #: 95 total cpu time spent up to now is 143.3 secs Computing kpt #: 96 total cpu time spent up to now is 144.6 secs Computing kpt #: 97 total cpu time spent up to now is 146.1 secs Computing kpt #: 98 total cpu time spent up to now is 147.4 secs Computing kpt #: 99 total cpu time spent up to now is 148.7 secs Computing kpt #: 100 total cpu time spent up to now is 150.1 secs Computing kpt #: 101 total cpu time spent up to now is 151.4 secs Computing kpt #: 102 total cpu time spent up to now is 152.8 secs Computing kpt #: 103 total cpu time spent up to now is 154.2 secs Computing kpt #: 104 total cpu time spent up to now is 155.8 secs Computing kpt #: 105 total cpu time spent up to now is 157.1 secs Computing kpt #: 106 total cpu time spent up to now is 158.3 secs Computing kpt #: 107 total cpu time spent up to now is 159.5 secs Computing kpt #: 108 total cpu time spent up to now is 160.8 secs Computing kpt #: 109 total cpu time spent up to now is 162.1 secs Computing kpt #: 110 total cpu time spent up to now is 163.5 secs Computing kpt #: 111 total cpu time spent up to now is 164.9 secs Computing kpt #: 112 total cpu time spent up to now is 166.3 secs Computing kpt #: 113 total cpu time spent up to now is 167.7 secs Computing kpt #: 114 total cpu time spent up to now is 169.1 secs Computing kpt #: 115 total cpu time spent up to now is 170.6 secs Computing kpt #: 116 total cpu time spent up to now is 172.0 secs Computing kpt #: 117 total cpu time spent up to now is 173.6 secs Computing kpt #: 118 total cpu time spent up to now is 174.9 secs Computing kpt #: 119 total cpu time spent up to now is 176.4 secs Computing kpt #: 120 total cpu time spent up to now is 178.0 secs Computing kpt #: 121 total cpu time spent up to now is 179.6 secs Computing kpt #: 122 total cpu time spent up to now is 181.2 secs Computing kpt #: 123 total cpu time spent up to now is 182.6 secs Computing kpt #: 124 total cpu time spent up to now is 184.4 secs Computing kpt #: 125 total cpu time spent up to now is 186.3 secs Computing kpt #: 126 total cpu time spent up to now is 188.1 secs Computing kpt #: 127 total cpu time spent up to now is 189.7 secs Computing kpt #: 128 total cpu time spent up to now is 191.3 secs Computing kpt #: 129 total cpu time spent up to now is 192.9 secs Computing kpt #: 130 total cpu time spent up to now is 194.5 secs Computing kpt #: 131 total cpu time spent up to now is 196.2 secs Computing kpt #: 132 total cpu time spent up to now is 197.8 secs Computing kpt #: 133 total cpu time spent up to now is 199.5 secs Computing kpt #: 134 total cpu time spent up to now is 201.1 secs Computing kpt #: 135 total cpu time spent up to now is 202.7 secs Computing kpt #: 136 total cpu time spent up to now is 204.4 secs Computing kpt #: 137 total cpu time spent up to now is 206.5 secs Computing kpt #: 138 total cpu time spent up to now is 208.3 secs Computing kpt #: 139 total cpu time spent up to now is 210.3 secs Computing kpt #: 140 total cpu time spent up to now is 212.2 secs Computing kpt #: 141 total cpu time spent up to now is 213.8 secs Computing kpt #: 142 total cpu time spent up to now is 215.4 secs Computing kpt #: 143 total cpu time spent up to now is 217.1 secs Computing kpt #: 144 total cpu time spent up to now is 219.0 secs Computing kpt #: 145 total cpu time spent up to now is 220.9 secs Computing kpt #: 146 total cpu time spent up to now is 222.7 secs Computing kpt #: 147 total cpu time spent up to now is 224.2 secs Computing kpt #: 148 total cpu time spent up to now is 225.5 secs Computing kpt #: 149 total cpu time spent up to now is 226.9 secs Computing kpt #: 150 total cpu time spent up to now is 228.3 secs Computing kpt #: 151 total cpu time spent up to now is 229.7 secs Computing kpt #: 152 total cpu time spent up to now is 231.2 secs Computing kpt #: 153 total cpu time spent up to now is 232.6 secs Computing kpt #: 154 total cpu time spent up to now is 233.9 secs Computing kpt #: 155 total cpu time spent up to now is 235.0 secs Computing kpt #: 156 total cpu time spent up to now is 236.4 secs Computing kpt #: 157 total cpu time spent up to now is 237.6 secs Computing kpt #: 158 total cpu time spent up to now is 239.0 secs Computing kpt #: 159 total cpu time spent up to now is 240.4 secs Computing kpt #: 160 total cpu time spent up to now is 241.8 secs Computing kpt #: 161 total cpu time spent up to now is 243.3 secs Computing kpt #: 162 total cpu time spent up to now is 244.6 secs Computing kpt #: 163 total cpu time spent up to now is 246.2 secs Computing kpt #: 164 total cpu time spent up to now is 247.7 secs Computing kpt #: 165 total cpu time spent up to now is 249.1 secs Computing kpt #: 166 total cpu time spent up to now is 250.7 secs Computing kpt #: 167 total cpu time spent up to now is 252.0 secs Computing kpt #: 168 total cpu time spent up to now is 253.5 secs Computing kpt #: 169 total cpu time spent up to now is 254.8 secs Computing kpt #: 170 total cpu time spent up to now is 256.4 secs Computing kpt #: 171 total cpu time spent up to now is 258.0 secs Computing kpt #: 172 total cpu time spent up to now is 259.5 secs Computing kpt #: 173 total cpu time spent up to now is 260.9 secs Computing kpt #: 174 total cpu time spent up to now is 262.5 secs Computing kpt #: 175 total cpu time spent up to now is 264.0 secs Computing kpt #: 176 total cpu time spent up to now is 265.5 secs Computing kpt #: 177 total cpu time spent up to now is 267.3 secs Computing kpt #: 178 total cpu time spent up to now is 268.9 secs Computing kpt #: 179 total cpu time spent up to now is 270.8 secs Computing kpt #: 180 total cpu time spent up to now is 272.7 secs Computing kpt #: 181 total cpu time spent up to now is 274.1 secs Computing kpt #: 182 total cpu time spent up to now is 275.5 secs Computing kpt #: 183 total cpu time spent up to now is 276.8 secs Computing kpt #: 184 total cpu time spent up to now is 278.2 secs Computing kpt #: 185 total cpu time spent up to now is 279.5 secs Computing kpt #: 186 total cpu time spent up to now is 281.0 secs Computing kpt #: 187 total cpu time spent up to now is 282.5 secs Computing kpt #: 188 total cpu time spent up to now is 284.0 secs Computing kpt #: 189 total cpu time spent up to now is 285.3 secs Computing kpt #: 190 total cpu time spent up to now is 287.0 secs Computing kpt #: 191 total cpu time spent up to now is 288.4 secs Computing kpt #: 192 total cpu time spent up to now is 290.0 secs Computing kpt #: 193 total cpu time spent up to now is 291.7 secs Computing kpt #: 194 total cpu time spent up to now is 293.3 secs Computing kpt #: 195 total cpu time spent up to now is 294.7 secs Computing kpt #: 196 total cpu time spent up to now is 296.2 secs Computing kpt #: 197 total cpu time spent up to now is 297.8 secs Computing kpt #: 198 total cpu time spent up to now is 299.4 secs Computing kpt #: 199 total cpu time spent up to now is 300.9 secs Computing kpt #: 200 total cpu time spent up to now is 302.4 secs Computing kpt #: 201 total cpu time spent up to now is 304.0 secs Computing kpt #: 202 total cpu time spent up to now is 305.5 secs Computing kpt #: 203 total cpu time spent up to now is 307.0 secs Computing kpt #: 204 total cpu time spent up to now is 308.5 secs Computing kpt #: 205 total cpu time spent up to now is 310.0 secs Computing kpt #: 206 total cpu time spent up to now is 311.3 secs Computing kpt #: 207 total cpu time spent up to now is 312.8 secs Computing kpt #: 208 total cpu time spent up to now is 314.3 secs Computing kpt #: 209 total cpu time spent up to now is 315.7 secs Computing kpt #: 210 total cpu time spent up to now is 317.1 secs Computing kpt #: 211 total cpu time spent up to now is 318.4 secs Computing kpt #: 212 total cpu time spent up to now is 320.1 secs Computing kpt #: 213 total cpu time spent up to now is 321.4 secs Computing kpt #: 214 total cpu time spent up to now is 322.9 secs Computing kpt #: 215 total cpu time spent up to now is 324.3 secs Computing kpt #: 216 total cpu time spent up to now is 325.6 secs Computing kpt #: 217 total cpu time spent up to now is 326.8 secs Computing kpt #: 218 total cpu time spent up to now is 328.1 secs Computing kpt #: 219 total cpu time spent up to now is 329.4 secs Computing kpt #: 220 total cpu time spent up to now is 330.7 secs Computing kpt #: 221 total cpu time spent up to now is 332.0 secs Computing kpt #: 222 total cpu time spent up to now is 333.4 secs Computing kpt #: 223 total cpu time spent up to now is 334.7 secs Computing kpt #: 224 total cpu time spent up to now is 336.2 secs Computing kpt #: 225 total cpu time spent up to now is 337.6 secs Computing kpt #: 226 total cpu time spent up to now is 339.0 secs Computing kpt #: 227 total cpu time spent up to now is 340.4 secs Computing kpt #: 228 total cpu time spent up to now is 341.8 secs Computing kpt #: 229 total cpu time spent up to now is 343.3 secs Computing kpt #: 230 total cpu time spent up to now is 344.9 secs Computing kpt #: 231 total cpu time spent up to now is 346.3 secs Computing kpt #: 232 total cpu time spent up to now is 347.7 secs Computing kpt #: 233 total cpu time spent up to now is 349.2 secs Computing kpt #: 234 total cpu time spent up to now is 350.7 secs Computing kpt #: 235 total cpu time spent up to now is 352.3 secs Computing kpt #: 236 total cpu time spent up to now is 353.8 secs Computing kpt #: 237 total cpu time spent up to now is 355.2 secs Computing kpt #: 238 total cpu time spent up to now is 356.7 secs Computing kpt #: 239 total cpu time spent up to now is 358.2 secs Computing kpt #: 240 total cpu time spent up to now is 359.8 secs Computing kpt #: 241 total cpu time spent up to now is 361.4 secs Computing kpt #: 242 total cpu time spent up to now is 362.9 secs Computing kpt #: 243 total cpu time spent up to now is 364.6 secs Computing kpt #: 244 total cpu time spent up to now is 366.2 secs Computing kpt #: 245 total cpu time spent up to now is 367.7 secs Computing kpt #: 246 total cpu time spent up to now is 369.3 secs Computing kpt #: 247 total cpu time spent up to now is 370.7 secs Computing kpt #: 248 total cpu time spent up to now is 372.2 secs Computing kpt #: 249 total cpu time spent up to now is 373.7 secs Computing kpt #: 250 total cpu time spent up to now is 375.2 secs Computing kpt #: 251 total cpu time spent up to now is 376.7 secs Computing kpt #: 252 total cpu time spent up to now is 378.1 secs Computing kpt #: 253 total cpu time spent up to now is 379.5 secs Computing kpt #: 254 total cpu time spent up to now is 381.1 secs Computing kpt #: 255 total cpu time spent up to now is 382.6 secs Computing kpt #: 256 total cpu time spent up to now is 384.1 secs Computing kpt #: 257 total cpu time spent up to now is 385.6 secs Computing kpt #: 258 total cpu time spent up to now is 387.3 secs Computing kpt #: 259 total cpu time spent up to now is 388.7 secs Computing kpt #: 260 total cpu time spent up to now is 390.3 secs Computing kpt #: 261 total cpu time spent up to now is 391.7 secs Computing kpt #: 262 total cpu time spent up to now is 393.1 secs Computing kpt #: 263 total cpu time spent up to now is 394.5 secs Computing kpt #: 264 total cpu time spent up to now is 395.9 secs Computing kpt #: 265 total cpu time spent up to now is 397.3 secs Computing kpt #: 266 total cpu time spent up to now is 398.7 secs Computing kpt #: 267 total cpu time spent up to now is 400.4 secs Computing kpt #: 268 total cpu time spent up to now is 401.8 secs Computing kpt #: 269 total cpu time spent up to now is 403.1 secs Computing kpt #: 270 total cpu time spent up to now is 404.4 secs Computing kpt #: 271 total cpu time spent up to now is 405.8 secs Computing kpt #: 272 total cpu time spent up to now is 407.2 secs Computing kpt #: 273 total cpu time spent up to now is 408.7 secs Computing kpt #: 274 total cpu time spent up to now is 410.1 secs Computing kpt #: 275 total cpu time spent up to now is 411.5 secs Computing kpt #: 276 total cpu time spent up to now is 413.0 secs Computing kpt #: 277 total cpu time spent up to now is 414.4 secs Computing kpt #: 278 total cpu time spent up to now is 416.0 secs Computing kpt #: 279 total cpu time spent up to now is 417.4 secs Computing kpt #: 280 total cpu time spent up to now is 418.8 secs Computing kpt #: 281 total cpu time spent up to now is 420.3 secs Computing kpt #: 282 total cpu time spent up to now is 421.6 secs Computing kpt #: 283 total cpu time spent up to now is 423.1 secs Computing kpt #: 284 total cpu time spent up to now is 424.6 secs Computing kpt #: 285 total cpu time spent up to now is 426.0 secs Computing kpt #: 286 total cpu time spent up to now is 427.3 secs Computing kpt #: 287 total cpu time spent up to now is 428.7 secs ethr = 1.52E-08, avg # of iterations = 16.6 total cpu time spent up to now is 428.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6603 PWs) bands (ev): -9.9129 -9.9129 -8.6824 -8.6824 -6.7801 -6.7801 -6.7683 -6.7683 -6.5830 -6.5830 -6.5633 -6.5633 -4.1301 -4.1301 -2.2006 -2.2006 -0.3188 -0.3188 0.4775 0.4775 0.6230 0.6230 0.8591 0.8591 1.0612 1.0612 2.2274 2.2274 3.3334 3.3334 3.4451 3.4451 3.7724 3.7724 3.8140 3.8140 4.1367 4.1367 4.2168 4.2168 4.2921 4.2921 4.4107 4.4107 4.7576 4.7576 5.1688 5.1688 5.2515 5.2515 5.4890 5.4890 5.5081 5.5081 5.6299 5.6299 5.7382 5.7382 5.9974 5.9974 6.0629 6.0629 6.5922 6.5922 6.7501 6.7501 7.1212 7.1212 7.2446 7.2446 8.7235 8.7235 9.4102 9.4102 9.6859 9.6859 9.7621 9.7621 10.3448 10.3448 k = 0.0093 0.0160-0.0044 ( 6617 PWs) bands (ev): -9.9124 -9.9124 -8.6821 -8.6821 -6.7818 -6.7818 -6.7686 -6.7686 -6.5836 -6.5836 -6.5639 -6.5639 -4.1281 -4.1281 -2.2000 -2.2000 -0.3178 -0.3178 0.4779 0.4779 0.6242 0.6242 0.8611 0.8611 1.0583 1.0583 2.2331 2.2331 3.3335 3.3335 3.4383 3.4383 3.7792 3.7792 3.8156 3.8156 4.1354 4.1354 4.2157 4.2157 4.2902 4.2902 4.4084 4.4084 4.7578 4.7578 5.1650 5.1650 5.2464 5.2464 5.4895 5.4895 5.5085 5.5085 5.6298 5.6298 5.7386 5.7386 5.9979 5.9979 6.0606 6.0606 6.5925 6.5925 6.7488 6.7488 7.1180 7.1180 7.2428 7.2428 8.7310 8.7310 9.4157 9.4157 9.6883 9.6883 9.7616 9.7616 10.3432 10.3432 k = 0.0185 0.0320-0.0087 ( 6621 PWs) bands (ev): -9.9109 -9.9109 -8.6810 -8.6810 -6.7869 -6.7869 -6.7694 -6.7694 -6.5855 -6.5855 -6.5655 -6.5655 -4.1221 -4.1221 -2.1982 -2.1982 -0.3148 -0.3148 0.4791 0.4791 0.6277 0.6277 0.8668 0.8668 1.0502 1.0502 2.2499 2.2499 3.3334 3.3334 3.4203 3.4203 3.7959 3.7959 3.8221 3.8221 4.1313 4.1313 4.2128 4.2128 4.2849 4.2849 4.4016 4.4016 4.7583 4.7583 5.1531 5.1531 5.2322 5.2322 5.4910 5.4910 5.5099 5.5099 5.6294 5.6294 5.7400 5.7400 5.9996 5.9996 6.0543 6.0543 6.5933 6.5933 6.7449 6.7449 7.1086 7.1086 7.2378 7.2378 8.7530 8.7530 9.4314 9.4314 9.6951 9.6951 9.7603 9.7603 10.3389 10.3389 k = 0.0278 0.0481-0.0131 ( 6623 PWs) bands (ev): -9.9085 -9.9085 -8.6792 -8.6792 -6.7953 -6.7953 -6.7708 -6.7708 -6.5886 -6.5886 -6.5682 -6.5682 -4.1122 -4.1122 -2.1952 -2.1952 -0.3099 -0.3099 0.4811 0.4811 0.6335 0.6335 0.8757 0.8757 1.0381 1.0381 2.2771 2.2771 3.3301 3.3301 3.3977 3.3977 3.8103 3.8103 3.8418 3.8418 4.1239 4.1239 4.2081 4.2081 4.2765 4.2765 4.3904 4.3904 4.7585 4.7585 5.1311 5.1311 5.2121 5.2121 5.4928 5.4928 5.5122 5.5122 5.6288 5.6288 5.7422 5.7422 6.0023 6.0023 6.0446 6.0446 6.5948 6.5948 6.7384 6.7384 7.0927 7.0927 7.2306 7.2306 8.7885 8.7885 9.4557 9.4557 9.7054 9.7054 9.7595 9.7595 10.3327 10.3327 k = 0.0371 0.0641-0.0175 ( 6620 PWs) bands (ev): -9.9052 -9.9052 -8.6768 -8.6768 -6.8070 -6.8070 -6.7728 -6.7728 -6.5928 -6.5928 -6.5718 -6.5718 -4.0986 -4.0986 -2.1910 -2.1910 -0.3030 -0.3030 0.4838 0.4838 0.6416 0.6416 0.8864 0.8864 1.0242 1.0242 2.3138 2.3138 3.3163 3.3163 3.3812 3.3812 3.8188 3.8188 3.8746 3.8746 4.1127 4.1127 4.2022 4.2022 4.2657 4.2657 4.3753 4.3753 4.7574 4.7574 5.0974 5.0974 5.1901 5.1901 5.4943 5.4943 5.5152 5.5152 5.6280 5.6280 5.7451 5.7451 6.0059 6.0059 6.0326 6.0326 6.5971 6.5971 6.7291 6.7291 7.0708 7.0708 7.2225 7.2225 8.8357 8.8357 9.4862 9.4862 9.7163 9.7163 9.7623 9.7623 10.3259 10.3259 k = 0.0463 0.0801-0.0218 ( 6619 PWs) bands (ev): -9.9009 -9.9009 -8.6736 -8.6736 -6.8215 -6.8215 -6.7753 -6.7753 -6.5982 -6.5982 -6.5765 -6.5765 -4.0814 -4.0814 -2.1857 -2.1857 -0.2942 -0.2942 0.4873 0.4873 0.6519 0.6519 0.8956 0.8956 1.0127 1.0127 2.3585 2.3585 3.2878 3.2878 3.3775 3.3775 3.8266 3.8266 3.9120 3.9120 4.0971 4.0971 4.1955 4.1955 4.2532 4.2532 4.3567 4.3567 4.7533 4.7533 5.0528 5.0528 5.1681 5.1681 5.4951 5.4951 5.5188 5.5188 5.6269 5.6269 5.7487 5.7487 6.0098 6.0098 6.0198 6.0198 6.6002 6.6002 6.7170 6.7170 7.0442 7.0442 7.2142 7.2142 8.8923 8.8923 9.5193 9.5193 9.7229 9.7229 9.7740 9.7740 10.3203 10.3203 k = 0.0556 0.0961-0.0262 ( 6627 PWs) bands (ev): -9.8957 -9.8957 -8.6699 -8.6699 -6.8389 -6.8389 -6.7785 -6.7785 -6.6047 -6.6047 -6.5820 -6.5820 -4.0609 -4.0609 -2.1793 -2.1793 -0.2835 -0.2835 0.4913 0.4913 0.6644 0.6644 0.8975 0.8975 1.0106 1.0106 2.4101 2.4101 3.2511 3.2511 3.3813 3.3813 3.8353 3.8353 3.9494 3.9494 4.0776 4.0776 4.1883 4.1883 4.2399 4.2399 4.3353 4.3353 4.7425 4.7425 5.0025 5.0025 5.1463 5.1463 5.4950 5.4950 5.5227 5.5227 5.6255 5.6255 5.7526 5.7526 6.0053 6.0053 6.0157 6.0157 6.6043 6.6043 6.7017 6.7017 7.0143 7.0143 7.2060 7.2060 8.9557 8.9557 9.5512 9.5512 9.7240 9.7240 9.7957 9.7957 10.3182 10.3182 k = 0.0649 0.1122-0.0305 ( 6625 PWs) bands (ev): -9.8897 -9.8897 -8.6654 -8.6654 -6.8586 -6.8586 -6.7823 -6.7823 -6.6122 -6.6122 -6.5884 -6.5884 -4.0374 -4.0374 -2.1717 -2.1717 -0.2710 -0.2710 0.4960 0.4960 0.6789 0.6789 0.8879 0.8879 1.0229 1.0229 2.4672 2.4672 3.2111 3.2111 3.3883 3.3883 3.8452 3.8452 3.9791 3.9791 4.0597 4.0597 4.1805 4.1805 4.2270 4.2270 4.3118 4.3118 4.7191 4.7191 4.9546 4.9546 5.1241 5.1241 5.4939 5.4939 5.5267 5.5267 5.6238 5.6238 5.7569 5.7569 5.9927 5.9927 6.0203 6.0203 6.6096 6.6096 6.6832 6.6832 6.9832 6.9832 7.1981 7.1981 9.0230 9.0230 9.5783 9.5783 9.7224 9.7224 9.8243 9.8243 10.3218 10.3218 k = 0.0741 0.1282-0.0349 ( 6621 PWs) bands (ev): -9.8828 -9.8828 -8.6604 -8.6604 -6.8806 -6.8806 -6.7869 -6.7869 -6.6206 -6.6206 -6.5955 -6.5955 -4.0111 -4.0111 -2.1630 -2.1630 -0.2567 -0.2567 0.5011 0.5011 0.6952 0.6952 0.8695 0.8695 1.0477 1.0477 2.5286 2.5286 3.1701 3.1701 3.3968 3.3968 3.8562 3.8562 3.9794 3.9794 4.0633 4.0633 4.1718 4.1718 4.2153 4.2153 4.2874 4.2874 4.6764 4.6764 4.9182 4.9182 5.1016 5.1016 5.4920 5.4920 5.5306 5.5306 5.6217 5.6217 5.7613 5.7613 5.9809 5.9809 6.0251 6.0251 6.6160 6.6160 6.6617 6.6617 6.9526 6.9526 7.1905 7.1905 9.0915 9.0915 9.5981 9.5981 9.7191 9.7191 9.8572 9.8572 10.3332 10.3332 k = 0.0834 0.1442-0.0393 ( 6624 PWs) bands (ev): -9.8752 -9.8752 -8.6549 -8.6549 -6.9043 -6.9043 -6.7922 -6.7922 -6.6299 -6.6299 -6.6033 -6.6033 -3.9824 -3.9824 -2.1533 -2.1533 -0.2407 -0.2407 0.5066 0.5066 0.7131 0.7131 0.8472 0.8472 1.0807 1.0807 2.5931 2.5931 3.1289 3.1289 3.4058 3.4058 3.8683 3.8683 3.9486 3.9486 4.0869 4.0869 4.1627 4.1627 4.2060 4.2060 4.2633 4.2633 4.6140 4.6140 4.8962 4.8962 5.0789 5.0789 5.4890 5.4890 5.5342 5.5342 5.6193 5.6193 5.7658 5.7658 5.9702 5.9702 6.0297 6.0297 6.6205 6.6205 6.6408 6.6408 6.9235 6.9235 7.1830 7.1830 9.1579 9.1579 9.6098 9.6098 9.7136 9.7136 9.8931 9.8931 10.3537 10.3537 k = 0.0927 0.1602-0.0436 ( 6615 PWs) bands (ev): -9.8668 -9.8668 -8.6488 -8.6488 -6.9295 -6.9295 -6.7984 -6.7984 -6.6399 -6.6399 -6.6115 -6.6115 -3.9515 -3.9515 -2.1426 -2.1426 -0.2230 -0.2230 0.5122 0.5122 0.7321 0.7321 0.8243 0.8243 1.1196 1.1196 2.6594 2.6594 3.0883 3.0883 3.4147 3.4147 3.8813 3.8813 3.9056 3.9056 4.1039 4.1039 4.1576 4.1576 4.1995 4.1995 4.2412 4.2412 4.5403 4.5403 4.8844 4.8844 5.0566 5.0566 5.4851 5.4851 5.5375 5.5375 5.6165 5.6165 5.7703 5.7703 5.9608 5.9608 6.0337 6.0337 6.6041 6.6041 6.6406 6.6406 6.8967 6.8967 7.1758 7.1758 9.2194 9.2194 9.6136 9.6136 9.7052 9.7052 9.9307 9.9307 10.3830 10.3830 k = 0.1019 0.1763-0.0480 ( 6625 PWs) bands (ev): -9.8578 -9.8578 -8.6423 -8.6423 -6.9559 -6.9559 -6.8055 -6.8055 -6.6505 -6.6505 -6.6201 -6.6201 -3.9189 -3.9189 -2.1309 -2.1309 -0.2038 -0.2038 0.5178 0.5178 0.7511 0.7511 0.8035 0.8035 1.1629 1.1629 2.7262 2.7262 3.0484 3.0484 3.4230 3.4230 3.8559 3.8559 3.8949 3.8949 4.0985 4.0985 4.1610 4.1610 4.1936 4.1936 4.2239 4.2239 4.4682 4.4682 4.8775 4.8775 5.0352 5.0352 5.4801 5.4801 5.5403 5.5403 5.6133 5.6133 5.7746 5.7746 5.9524 5.9524 6.0369 6.0369 6.5768 6.5768 6.6525 6.6525 6.8720 6.8720 7.1688 7.1688 9.2726 9.2726 9.6099 9.6099 9.6950 9.6950 9.9691 9.9691 10.4201 10.4201 k = 0.1112 0.1923-0.0524 ( 6623 PWs) bands (ev): -9.8482 -9.8482 -8.6354 -8.6354 -6.9831 -6.9831 -6.8136 -6.8136 -6.6616 -6.6616 -6.6290 -6.6290 -3.8847 -3.8847 -2.1183 -2.1183 -0.1831 -0.1831 0.5230 0.5230 0.7637 0.7637 0.7919 0.7919 1.2097 1.2097 2.7922 2.7922 3.0095 3.0095 3.4302 3.4302 3.8021 3.8021 3.9078 3.9078 4.0759 4.0759 4.1612 4.1612 4.1817 4.1817 4.2105 4.2105 4.4165 4.4165 4.8718 4.8718 5.0158 5.0158 5.4741 5.4741 5.5426 5.5426 5.6099 5.6099 5.7787 5.7787 5.9449 5.9449 6.0393 6.0393 6.5487 6.5487 6.6679 6.6679 6.8492 6.8492 7.1620 7.1620 9.3145 9.3145 9.5990 9.5990 9.6855 9.6855 10.0070 10.0070 10.4631 10.4631 k = 0.1205 0.2083-0.0567 ( 6621 PWs) bands (ev): -9.8381 -9.8381 -8.6281 -8.6281 -7.0108 -7.0108 -6.8227 -6.8227 -6.6730 -6.6730 -6.6380 -6.6380 -3.8494 -3.8494 -2.1050 -2.1050 -0.1609 -0.1609 0.5273 0.5273 0.7567 0.7567 0.8037 0.8037 1.2593 1.2593 2.8557 2.8557 2.9718 2.9718 3.4361 3.4361 3.7452 3.7452 3.9186 3.9186 4.0384 4.0384 4.1455 4.1455 4.1670 4.1670 4.1973 4.1973 4.4018 4.4018 4.8649 4.8649 4.9992 4.9992 5.4670 5.4670 5.5443 5.5443 5.6062 5.6062 5.7827 5.7827 5.9383 5.9383 6.0408 6.0408 6.5218 6.5218 6.6860 6.6860 6.8278 6.8278 7.1554 7.1554 9.3417 9.3417 9.5827 9.5827 9.6783 9.6783 10.0431 10.0431 10.5102 10.5102 k = 0.1297 0.2243-0.0611 ( 6617 PWs) bands (ev): -9.8275 -9.8275 -8.6205 -8.6205 -7.0386 -7.0386 -6.8329 -6.8329 -6.6847 -6.6847 -6.6470 -6.6470 -3.8132 -3.8132 -2.0909 -2.0909 -0.1375 -0.1375 0.5302 0.5302 0.7455 0.7455 0.8238 0.8238 1.3111 1.3111 2.9145 2.9145 2.9354 2.9354 3.4407 3.4407 3.6864 3.6864 3.9214 3.9214 3.9831 3.9831 4.1180 4.1180 4.1577 4.1577 4.1912 4.1912 4.4162 4.4162 4.8554 4.8554 4.9863 4.9863 5.4587 5.4587 5.5453 5.5453 5.6022 5.6022 5.7863 5.7863 5.9322 5.9322 6.0413 6.0413 6.4975 6.4975 6.7069 6.7069 6.8075 6.8075 7.1489 7.1489 9.3508 9.3508 9.5650 9.5650 9.6736 9.6736 10.0761 10.0761 10.5594 10.5594 k = 0.1390 0.2404-0.0654 ( 6613 PWs) bands (ev): -9.8166 -9.8166 -8.6126 -8.6126 -7.0664 -7.0664 -6.8443 -6.8443 -6.6965 -6.6965 -6.6559 -6.6559 -3.7763 -3.7763 -2.0761 -2.0761 -0.1127 -0.1127 0.5313 0.5313 0.7379 0.7379 0.8447 0.8447 1.3645 1.3645 2.8989 2.8989 2.9677 2.9677 3.4444 3.4444 3.6267 3.6267 3.8788 3.8788 3.9493 3.9493 4.0989 4.0989 4.1513 4.1513 4.1917 4.1917 4.4437 4.4437 4.8431 4.8431 4.9774 4.9774 5.4491 5.4491 5.5457 5.5457 5.5980 5.5980 5.7897 5.7897 5.9265 5.9265 6.0411 6.0411 6.4767 6.4767 6.7297 6.7297 6.7885 6.7885 7.1425 7.1425 9.3406 9.3406 9.5490 9.5490 9.6709 9.6709 10.1044 10.1044 10.6086 10.6086 k = 0.1483 0.2564-0.0698 ( 6619 PWs) bands (ev): -9.8054 -9.8054 -8.6047 -8.6047 -7.0937 -7.0937 -6.8568 -6.8568 -6.7082 -6.7082 -6.6646 -6.6646 -3.7392 -3.7392 -2.0609 -2.0609 -0.0868 -0.0868 0.5304 0.5304 0.7354 0.7354 0.8651 0.8651 1.4185 1.4185 2.8636 2.8636 3.0110 3.0110 3.4475 3.4475 3.5678 3.5678 3.7937 3.7937 3.9446 3.9446 4.0879 4.0879 4.1494 4.1494 4.1976 4.1976 4.4759 4.4759 4.8287 4.8287 4.9718 4.9718 5.4382 5.4382 5.5453 5.5453 5.5937 5.5937 5.7926 5.7926 5.9210 5.9210 6.0402 6.0402 6.4602 6.4602 6.7486 6.7486 6.7764 6.7764 7.1359 7.1359 9.3133 9.3133 9.5339 9.5339 9.6704 9.6704 10.1265 10.1265 10.6551 10.6551 k = 0.1575 0.2724-0.0742 ( 6621 PWs) bands (ev): -9.7940 -9.7940 -8.5966 -8.5966 -7.1202 -7.1202 -6.8704 -6.8704 -6.7197 -6.7197 -6.6730 -6.6730 -3.7021 -3.7021 -2.0451 -2.0451 -0.0598 -0.0598 0.5276 0.5276 0.7382 0.7382 0.8840 0.8840 1.4725 1.4725 2.8282 2.8282 3.0427 3.0427 3.4494 3.4494 3.5126 3.5126 3.7040 3.7040 3.9405 3.9405 4.0802 4.0802 4.1526 4.1526 4.2098 4.2098 4.5091 4.5091 4.8135 4.8135 4.9689 4.9689 5.4260 5.4260 5.5441 5.5441 5.5891 5.5891 5.7953 5.7953 5.9159 5.9159 6.0390 6.0390 6.4484 6.4484 6.7406 6.7406 6.7938 6.7938 7.1293 7.1293 9.2737 9.2737 9.5167 9.5167 9.6723 9.6723 10.1408 10.1408 10.6958 10.6958 k = 0.1668 0.2884-0.0785 ( 6628 PWs) bands (ev): -9.7825 -9.7825 -8.5884 -8.5884 -7.1458 -7.1458 -6.8852 -6.8852 -6.7309 -6.7309 -6.6811 -6.6811 -3.6651 -3.6651 -2.0291 -2.0291 -0.0319 -0.0319 0.5235 0.5235 0.7459 0.7459 0.9008 0.9008 1.5253 1.5253 2.7919 2.7919 3.0608 3.0608 3.4345 3.4345 3.4783 3.4783 3.6185 3.6185 3.9353 3.9353 4.0728 4.0728 4.1594 4.1594 4.2294 4.2294 4.5413 4.5413 4.7990 4.7990 4.9678 4.9678 5.4126 5.4126 5.5423 5.5423 5.5844 5.5844 5.7975 5.7975 5.9109 5.9109 6.0377 6.0377 6.4417 6.4417 6.7221 6.7221 6.8240 6.8240 7.1223 7.1223 9.2264 9.2264 9.4952 9.4952 9.6763 9.6763 10.1462 10.1462 10.7268 10.7268 k = 0.1761 0.3044-0.0829 ( 6626 PWs) bands (ev): -9.7711 -9.7711 -8.5804 -8.5804 -7.1702 -7.1702 -6.9010 -6.9010 -6.7417 -6.7417 -6.6889 -6.6889 -3.6286 -3.6286 -2.0129 -2.0129 -0.0031 -0.0031 0.5188 0.5188 0.7580 0.7580 0.9150 0.9150 1.5759 1.5759 2.7540 2.7540 3.0648 3.0648 3.3904 3.3904 3.4741 3.4741 3.5457 3.5457 3.9296 3.9296 4.0652 4.0652 4.1679 4.1679 4.2563 4.2563 4.5712 4.5712 4.7868 4.7868 4.9680 4.9680 5.3981 5.3981 5.5398 5.5398 5.5794 5.5794 5.7994 5.7994 5.9063 5.9063 6.0367 6.0367 6.4399 6.4399 6.7023 6.7023 6.8577 6.8577 7.1150 7.1150 9.1743 9.1743 9.4691 9.4691 9.6818 9.6818 10.1419 10.1419 10.7440 10.7440 k = 0.1853 0.3205-0.0873 ( 6623 PWs) bands (ev): -9.7598 -9.7598 -8.5724 -8.5724 -7.1931 -7.1931 -6.9177 -6.9177 -6.7519 -6.7519 -6.6963 -6.6963 -3.5928 -3.5928 -1.9966 -1.9966 0.0265 0.0265 0.5142 0.5142 0.7738 0.7738 0.9258 0.9258 1.6227 1.6227 2.7137 2.7137 3.0561 3.0561 3.3442 3.3442 3.4462 3.4462 3.5152 3.5152 3.9239 3.9239 4.0574 4.0574 4.1776 4.1776 4.2888 4.2888 4.5980 4.5980 4.7784 4.7784 4.9694 4.9694 5.3827 5.3827 5.5367 5.5367 5.5739 5.5739 5.8009 5.8009 5.9021 5.9021 6.0363 6.0363 6.4430 6.4430 6.6823 6.6823 6.8933 6.8933 7.1072 7.1072 9.1195 9.1195 9.4389 9.4389 9.6882 9.6882 10.1280 10.1280 10.7434 10.7434 k = 0.1946 0.3365-0.0916 ( 6626 PWs) bands (ev): -9.7487 -9.7487 -8.5646 -8.5646 -7.2143 -7.2143 -6.9352 -6.9352 -6.7614 -6.7614 -6.7034 -6.7034 -3.5579 -3.5579 -1.9804 -1.9804 0.0567 0.0567 0.5104 0.5104 0.7926 0.7926 0.9328 0.9328 1.6642 1.6642 2.6709 2.6709 3.0370 3.0370 3.3029 3.3029 3.3950 3.3950 3.5213 3.5213 3.9181 3.9181 4.0497 4.0497 4.1884 4.1884 4.3241 4.3241 4.6209 4.6209 4.7751 4.7751 4.9717 4.9717 5.3666 5.3666 5.5331 5.5331 5.5680 5.5680 5.8021 5.8021 5.8983 5.8983 6.0367 6.0367 6.4505 6.4505 6.6625 6.6625 6.9300 6.9300 7.0993 7.0993 9.0631 9.0631 9.4058 9.4058 9.6947 9.6947 10.1051 10.1051 10.7237 10.7237 k = 0.2039 0.3525-0.0960 ( 6626 PWs) bands (ev): -9.7379 -9.7379 -8.5571 -8.5571 -7.2336 -7.2336 -6.9536 -6.9536 -6.7701 -6.7701 -6.7102 -6.7102 -3.5241 -3.5241 -1.9644 -1.9644 0.0873 0.0873 0.5076 0.5076 0.8140 0.8140 0.9357 0.9357 1.6984 1.6984 2.6261 2.6261 3.0102 3.0102 3.2679 3.2679 3.3511 3.3511 3.5322 3.5322 3.9121 3.9121 4.0422 4.0422 4.2004 4.2004 4.3596 4.3596 4.6401 4.6401 4.7782 4.7782 4.9750 4.9750 5.3504 5.3504 5.5290 5.5290 5.5614 5.5614 5.8030 5.8030 5.8951 5.8951 6.0382 6.0382 6.4619 6.4619 6.6435 6.6435 6.9661 6.9661 7.0921 7.0921 9.0063 9.0063 9.3708 9.3708 9.7009 9.7009 10.0747 10.0747 10.6874 10.6874 k = 0.2131 0.3685-0.1003 ( 6626 PWs) bands (ev): -9.7276 -9.7276 -8.5499 -8.5499 -7.2508 -7.2508 -6.9725 -6.9725 -6.7778 -6.7778 -6.7167 -6.7167 -3.4917 -3.4917 -1.9487 -1.9487 0.1184 0.1184 0.5063 0.5063 0.8373 0.8373 0.9342 0.9342 1.7232 1.7232 2.5812 2.5812 2.9778 2.9778 3.2399 3.2399 3.3200 3.3200 3.5420 3.5420 3.9053 3.9053 4.0350 4.0350 4.2136 4.2136 4.3924 4.3924 4.6562 4.6562 4.7882 4.7882 4.9792 4.9792 5.3343 5.3343 5.5245 5.5245 5.5542 5.5542 5.8037 5.8037 5.8926 5.8926 6.0411 6.0411 6.4761 6.4761 6.6262 6.6262 6.9979 6.9979 7.0887 7.0887 8.9498 8.9498 9.3349 9.3349 9.7065 9.7065 10.0387 10.0387 10.6387 10.6387 k = 0.2224 0.3846-0.1047 ( 6634 PWs) bands (ev): -9.7177 -9.7177 -8.5430 -8.5430 -7.2658 -7.2658 -6.9920 -6.9920 -6.7846 -6.7846 -6.7229 -6.7229 -3.4607 -3.4607 -1.9335 -1.9335 0.1497 0.1497 0.5067 0.5067 0.8610 0.8610 0.9294 0.9294 1.7365 1.7365 2.5389 2.5389 2.9414 2.9414 3.2194 3.2194 3.3022 3.3022 3.5490 3.5490 3.8976 3.8976 4.0280 4.0280 4.2276 4.2276 4.4205 4.4205 4.6695 4.6695 4.8055 4.8055 4.9839 4.9839 5.3190 5.3190 5.5197 5.5197 5.5462 5.5462 5.8041 5.8041 5.8907 5.8907 6.0454 6.0454 6.4912 6.4912 6.6123 6.6123 7.0162 7.0162 7.0976 7.0976 8.8943 8.8943 9.2990 9.2990 9.7111 9.7111 9.9991 9.9991 10.5814 10.5814 k = 0.2317 0.4006-0.1091 ( 6640 PWs) bands (ev): -9.7085 -9.7085 -8.5366 -8.5366 -7.2785 -7.2785 -7.0118 -7.0118 -6.7903 -6.7903 -6.7289 -6.7289 -3.4316 -3.4316 -1.9189 -1.9189 0.1810 0.1810 0.5089 0.5089 0.8797 0.8797 0.9263 0.9263 1.7364 1.7364 2.5021 2.5021 2.9020 2.9020 3.2070 3.2070 3.2969 3.2969 3.5529 3.5529 3.8887 3.8887 4.0214 4.0214 4.2420 4.2420 4.4432 4.4432 4.6796 4.6796 4.8303 4.8303 4.9886 4.9886 5.3051 5.3051 5.5144 5.5144 5.5375 5.5375 5.8045 5.8045 5.8895 5.8895 6.0513 6.0513 6.5036 6.5036 6.6056 6.6056 7.0152 7.0152 7.1239 7.1239 8.8404 8.8404 9.2638 9.2638 9.7145 9.7145 9.9582 9.9582 10.5183 10.5183 k = 0.2410 0.4166-0.1134 ( 6642 PWs) bands (ev): -9.7000 -9.7000 -8.5307 -8.5307 -7.2887 -7.2887 -7.0320 -7.0320 -6.7948 -6.7948 -6.7347 -6.7347 -3.4043 -3.4043 -1.9050 -1.9050 0.2123 0.2123 0.5129 0.5129 0.8786 0.8786 0.9397 0.9397 1.7221 1.7221 2.4733 2.4733 2.8603 2.8603 3.2030 3.2030 3.3024 3.3024 3.5537 3.5537 3.8782 3.8782 4.0153 4.0153 4.2563 4.2563 4.4614 4.4614 4.6856 4.6856 4.8618 4.8618 4.9928 4.9928 5.2933 5.2933 5.5088 5.5088 5.5281 5.5281 5.8047 5.8047 5.8889 5.8889 6.0588 6.0588 6.5078 6.5078 6.6113 6.6113 7.0030 7.0030 7.1589 7.1589 8.7886 8.7886 9.2299 9.2299 9.7164 9.7164 9.9179 9.9179 10.4516 10.4516 k = 0.2502 0.4326-0.1178 ( 6640 PWs) bands (ev): -9.6922 -9.6922 -8.5253 -8.5253 -7.2964 -7.2964 -7.0524 -7.0524 -6.7982 -6.7982 -6.7402 -6.7402 -3.3791 -3.3791 -1.8921 -1.8921 0.2433 0.2433 0.5187 0.5187 0.8603 0.8603 0.9670 0.9670 1.6943 1.6943 2.4537 2.4537 2.8172 2.8172 3.2070 3.2070 3.3169 3.3169 3.5515 3.5515 3.8661 3.8661 4.0099 4.0099 4.2699 4.2699 4.4769 4.4769 4.6869 4.6869 4.8972 4.8972 4.9968 4.9968 5.2843 5.2843 5.5027 5.5027 5.5183 5.5183 5.8050 5.8050 5.8889 5.8889 6.0677 6.0677 6.5028 6.5028 6.6304 6.6304 6.9852 6.9852 7.1961 7.1961 8.7396 8.7396 9.1980 9.1980 9.7169 9.7169 9.8800 9.8800 10.3827 10.3827 k = 0.2595 0.4487-0.1222 ( 6650 PWs) bands (ev): -9.6852 -9.6852 -8.5205 -8.5205 -7.3014 -7.3014 -7.0728 -7.0728 -6.8003 -6.8003 -6.7456 -6.7456 -3.3562 -3.3562 -1.8801 -1.8801 0.2738 0.2738 0.5264 0.5264 0.8342 0.8342 0.9993 0.9993 1.6548 1.6548 2.4435 2.4435 2.7731 2.7731 3.2179 3.2179 3.3388 3.3388 3.5468 3.5468 3.8521 3.8521 4.0054 4.0054 4.2822 4.2822 4.4918 4.4918 4.6842 4.6842 4.9298 4.9298 5.0036 5.0036 5.2783 5.2783 5.4958 5.4958 5.5083 5.5083 5.8054 5.8054 5.8895 5.8895 6.0778 6.0778 6.4924 6.4924 6.6591 6.6591 6.9641 6.9641 7.2330 7.2330 8.6939 8.6939 9.1683 9.1683 9.7155 9.7155 9.8461 9.8461 10.3131 10.3131 k = 0.2688 0.4647-0.1265 ( 6646 PWs) bands (ev): -9.6790 -9.6790 -8.5162 -8.5162 -7.3038 -7.3038 -7.0933 -7.0933 -6.8013 -6.8013 -6.7508 -6.7508 -3.3357 -3.3357 -1.8692 -1.8692 0.3036 0.3036 0.5358 0.5358 0.8034 0.8034 1.0340 1.0340 1.6063 1.6063 2.4417 2.4417 2.7288 2.7288 3.2344 3.2344 3.3665 3.3665 3.5397 3.5397 3.8364 3.8364 4.0021 4.0021 4.2925 4.2925 4.5077 4.5077 4.6781 4.6781 4.9481 4.9481 5.0221 5.0221 5.2754 5.2754 5.4877 5.4877 5.4989 5.4989 5.8058 5.8058 5.8907 5.8907 6.0888 6.0888 6.4801 6.4801 6.6936 6.6936 6.9405 6.9405 7.2681 7.2681 8.6519 8.6519 9.1414 9.1414 9.7124 9.7124 9.8176 9.8176 10.2439 10.2439 k = 0.2780 0.4807-0.1309 ( 6646 PWs) bands (ev): -9.6738 -9.6738 -8.5124 -8.5124 -7.3035 -7.3035 -7.1136 -7.1136 -6.8010 -6.8010 -6.7557 -6.7557 -3.3177 -3.3177 -1.8595 -1.8595 0.3322 0.3322 0.5468 0.5468 0.7691 0.7691 1.0705 1.0705 1.5519 1.5519 2.4472 2.4472 2.6847 2.6847 3.2549 3.2549 3.3983 3.3983 3.5308 3.5308 3.8191 3.8191 4.0003 4.0003 4.3006 4.3006 4.5255 4.5255 4.6694 4.6694 4.9489 4.9489 5.0536 5.0536 5.2753 5.2753 5.4779 5.4779 5.4906 5.4906 5.8064 5.8064 5.8923 5.8923 6.1002 6.1002 6.4678 6.4678 6.7320 6.7320 6.9150 6.9150 7.3004 7.3004 8.6143 8.6143 9.1176 9.1176 9.7075 9.7075 9.7954 9.7954 10.1762 10.1762 k = 0.2873 0.4967-0.1352 ( 6640 PWs) bands (ev): -9.6694 -9.6694 -8.5093 -8.5093 -7.3007 -7.3007 -7.1338 -7.1338 -6.7996 -6.7996 -6.7605 -6.7605 -3.3024 -3.3024 -1.8512 -1.8512 0.3593 0.3593 0.5592 0.5592 0.7329 0.7329 1.1084 1.1084 1.4943 1.4943 2.4588 2.4588 2.6413 2.6413 3.2777 3.2777 3.4325 3.4325 3.5205 3.5205 3.8005 3.8005 4.0001 4.0001 4.3065 4.3065 4.5457 4.5457 4.6587 4.6587 4.9402 4.9402 5.0888 5.0888 5.2772 5.2772 5.4671 5.4671 5.4832 5.4832 5.8072 5.8072 5.8944 5.8944 6.1115 6.1115 6.4564 6.4564 6.7729 6.7729 6.8886 6.8886 7.3294 7.3294 8.5816 8.5816 9.0970 9.0970 9.7010 9.7010 9.7802 9.7802 10.1111 10.1111 k = 0.2966 0.5128-0.1396 ( 6648 PWs) bands (ev): -9.6659 -9.6659 -8.5067 -8.5067 -7.2953 -7.2953 -7.1537 -7.1537 -6.7971 -6.7971 -6.7651 -6.7651 -3.2898 -3.2898 -1.8442 -1.8442 0.3840 0.3840 0.5726 0.5726 0.6963 0.6963 1.1474 1.1474 1.4360 1.4360 2.4752 2.4752 2.5995 2.5995 3.3012 3.3012 3.4667 3.4667 3.5096 3.5096 3.7808 3.7808 4.0018 4.0018 4.3103 4.3103 4.5680 4.5680 4.6468 4.6468 4.9273 4.9273 5.1219 5.1219 5.2804 5.2804 5.4562 5.4562 5.4761 5.4761 5.8081 5.8081 5.8968 5.8968 6.1220 6.1220 6.4465 6.4465 6.8133 6.8133 6.8637 6.8637 7.3542 7.3542 8.5542 8.5542 9.0800 9.0800 9.6930 9.6930 9.7722 9.7722 10.0496 10.0496 k = 0.3058 0.5288-0.1440 ( 6649 PWs) bands (ev): -9.6633 -9.6633 -8.5047 -8.5047 -7.2874 -7.2874 -7.1733 -7.1733 -6.7935 -6.7935 -6.7695 -6.7695 -3.2800 -3.2800 -1.8387 -1.8387 0.4049 0.4049 0.5859 0.5859 0.6623 0.6623 1.1867 1.1867 1.3792 1.3792 2.4934 2.4934 2.5620 2.5620 3.3240 3.3240 3.4887 3.4887 3.5091 3.5091 3.7607 3.7607 4.0055 4.0055 4.3123 4.3123 4.5910 4.5910 4.6354 4.6354 4.9123 4.9123 5.1502 5.1502 5.2842 5.2842 5.4464 5.4464 5.4692 5.4692 5.8092 5.8092 5.8995 5.8995 6.1311 6.1311 6.4383 6.4383 6.8233 6.8233 6.8705 6.8705 7.3747 7.3747 8.5327 8.5327 9.0667 9.0667 9.6830 9.6830 9.7722 9.7722 9.9929 9.9929 k = 0.3151 0.5448-0.1483 ( 6648 PWs) bands (ev): -9.6615 -9.6615 -8.5033 -8.5033 -7.2772 -7.2772 -7.1925 -7.1925 -6.7890 -6.7890 -6.7737 -6.7737 -3.2731 -3.2731 -1.8346 -1.8346 0.4196 0.4196 0.5945 0.5945 0.6381 0.6381 1.2238 1.2238 1.3279 1.3279 2.4955 2.4955 2.5463 2.5463 3.3445 3.3445 3.4801 3.4801 3.5361 3.5361 3.7409 3.7409 4.0114 4.0114 4.3129 4.3129 4.6052 4.6052 4.6339 4.6339 4.8967 4.8967 5.1720 5.1720 5.2879 5.2879 5.4385 5.4385 5.4625 5.4625 5.8105 5.8105 5.9025 5.9025 6.1381 6.1381 6.4321 6.4321 6.7987 6.7987 6.9128 6.9128 7.3906 7.3906 8.5175 8.5175 9.0573 9.0573 9.6697 9.6697 9.7813 9.7813 9.9422 9.9422 k = 0.3244 0.5608-0.1527 ( 6640 PWs) bands (ev): -9.6605 -9.6605 -8.5023 -8.5023 -7.2647 -7.2647 -7.2112 -7.2112 -6.7837 -6.7837 -6.7776 -6.7776 -3.2689 -3.2689 -1.8320 -1.8320 0.4241 0.4241 0.5889 0.5889 0.6374 0.6374 1.2399 1.2399 1.3019 1.3019 2.4663 2.4663 2.5677 2.5677 3.3611 3.3611 3.4684 3.4684 3.5620 3.5620 3.7223 3.7223 4.0192 4.0192 4.3125 4.3125 4.5971 4.5971 4.6555 4.6555 4.8816 4.8816 5.1856 5.1856 5.2910 5.2910 5.4340 5.4340 5.4560 5.4560 5.8120 5.8120 5.9057 5.9057 6.1424 6.1424 6.4281 6.4281 6.7718 6.7718 6.9583 6.9583 7.4020 7.4020 8.5091 8.5091 9.0519 9.0519 9.6522 9.6522 9.7994 9.7994 9.8987 9.8987 k = 0.3336 0.5768-0.1571 ( 6640 PWs) bands (ev): -9.6602 -9.6602 -8.5017 -8.5017 -7.2502 -7.2502 -7.2294 -7.2294 -6.7818 -6.7818 -6.7773 -6.7773 -3.2675 -3.2675 -1.8308 -1.8308 0.4148 0.4148 0.5818 0.5818 0.6513 0.6513 1.2084 1.2084 1.3288 1.3288 2.4309 2.4309 2.6007 2.6007 3.3715 3.3715 3.4585 3.4585 3.5812 3.5812 3.7065 3.7065 4.0288 4.0288 4.3115 4.3115 4.5828 4.5828 4.6837 4.6837 4.8680 4.8680 5.1903 5.1903 5.2933 5.2933 5.4332 5.4332 5.4501 5.4501 5.8136 5.8136 5.9090 5.9090 6.1436 6.1436 6.4263 6.4263 6.7455 6.7455 7.0038 7.0038 7.4093 7.4093 8.5079 8.5079 9.0504 9.0504 9.6306 9.6306 9.8237 9.8237 9.8655 9.8655 k = 0.3336 0.5768-0.1571 ( 6640 PWs) bands (ev): -9.6602 -9.6602 -8.5017 -8.5017 -7.2502 -7.2502 -7.2294 -7.2294 -6.7818 -6.7818 -6.7773 -6.7773 -3.2675 -3.2675 -1.8308 -1.8308 0.4148 0.4148 0.5818 0.5818 0.6513 0.6513 1.2084 1.2084 1.3288 1.3288 2.4309 2.4309 2.6007 2.6007 3.3715 3.3715 3.4585 3.4585 3.5812 3.5812 3.7065 3.7065 4.0288 4.0288 4.3115 4.3115 4.5828 4.5828 4.6837 4.6837 4.8680 4.8680 5.1903 5.1903 5.2933 5.2933 5.4332 5.4332 5.4501 5.4501 5.8136 5.8136 5.9090 5.9090 6.1436 6.1436 6.4263 6.4263 6.7455 6.7455 7.0038 7.0038 7.4093 7.4093 8.5079 8.5079 9.0504 9.0504 9.6306 9.6306 9.8237 9.8237 9.8655 9.8655 k = 0.3365 0.5818-0.1388 ( 6644 PWs) bands (ev): -9.6586 -9.6586 -8.5046 -8.5046 -7.2460 -7.2460 -7.2282 -7.2282 -6.7909 -6.7909 -6.7748 -6.7748 -3.2668 -3.2668 -1.8281 -1.8281 0.4095 0.4095 0.5930 0.5930 0.6646 0.6646 1.2041 1.2041 1.3353 1.3353 2.4252 2.4252 2.5876 2.5876 3.3668 3.3668 3.4539 3.4539 3.5934 3.5934 3.7131 3.7131 4.0105 4.0105 4.3117 4.3117 4.5906 4.5906 4.6826 4.6826 4.8667 4.8667 5.1894 5.1894 5.2897 5.2897 5.4315 5.4315 5.4473 5.4473 5.8176 5.8176 5.9139 5.9139 6.1431 6.1431 6.3993 6.3993 6.7237 6.7237 7.0139 7.0139 7.4083 7.4083 8.5095 8.5095 9.0513 9.0513 9.6347 9.6347 9.8316 9.8316 9.8750 9.8750 k = 0.3394 0.5868-0.1205 ( 6645 PWs) bands (ev): -9.6565 -9.6565 -8.5085 -8.5085 -7.2414 -7.2414 -7.2266 -7.2266 -6.8005 -6.8005 -6.7725 -6.7725 -3.2655 -3.2655 -1.8251 -1.8251 0.4036 0.4036 0.6062 0.6062 0.6775 0.6775 1.1993 1.1993 1.3403 1.3403 2.4229 2.4229 2.5771 2.5771 3.3619 3.3619 3.4494 3.4494 3.6048 3.6048 3.7203 3.7203 3.9839 3.9839 4.3120 4.3120 4.5970 4.5970 4.6803 4.6803 4.8669 4.8669 5.1873 5.1873 5.2868 5.2868 5.4304 5.4304 5.4445 5.4445 5.8215 5.8215 5.9184 5.9184 6.1414 6.1414 6.3758 6.3758 6.7054 6.7054 7.0197 7.0197 7.4075 7.4075 8.5151 8.5151 9.0539 9.0539 9.6427 9.6427 9.8375 9.8375 9.8823 9.8823 k = 0.3423 0.5918-0.1023 ( 6655 PWs) bands (ev): -9.6539 -9.6539 -8.5132 -8.5132 -7.2362 -7.2362 -7.2247 -7.2247 -6.8103 -6.8103 -6.7705 -6.7705 -3.2636 -3.2636 -1.8219 -1.8219 0.3977 0.3977 0.6205 0.6205 0.6900 0.6900 1.1938 1.1938 1.3438 1.3438 2.4238 2.4238 2.5697 2.5697 3.3567 3.3567 3.4452 3.4452 3.6158 3.6158 3.7278 3.7278 3.9503 3.9503 4.3125 4.3125 4.6008 4.6008 4.6768 4.6768 4.8692 4.8692 5.1841 5.1841 5.2848 5.2848 5.4296 5.4296 5.4421 5.4421 5.8252 5.8252 5.9224 5.9224 6.1385 6.1385 6.3558 6.3558 6.6906 6.6906 7.0211 7.0211 7.4067 7.4067 8.5244 8.5244 9.0582 9.0582 9.6542 9.6542 9.8418 9.8418 9.8881 9.8881 k = 0.3451 0.5967-0.0840 ( 6662 PWs) bands (ev): -9.6510 -9.6510 -8.5188 -8.5188 -7.2306 -7.2306 -7.2225 -7.2225 -6.8203 -6.8203 -6.7688 -6.7688 -3.2614 -3.2614 -1.8185 -1.8185 0.3922 0.3922 0.6353 0.6353 0.7019 0.7019 1.1877 1.1877 1.3461 1.3461 2.4277 2.4277 2.5658 2.5658 3.3508 3.3508 3.4411 3.4411 3.6263 3.6263 3.7356 3.7356 3.9111 3.9111 4.3132 4.3132 4.6012 4.6012 4.6720 4.6720 4.8740 4.8740 5.1797 5.1797 5.2837 5.2837 5.4292 5.4292 5.4401 5.4401 5.8286 5.8286 5.9257 5.9257 6.1346 6.1346 6.3393 6.3393 6.6794 6.6794 7.0184 7.0184 7.4060 7.4060 8.5369 8.5369 9.0641 9.0641 9.6680 9.6680 9.8445 9.8445 9.8939 9.8939 k = 0.3480 0.6017-0.0657 ( 6662 PWs) bands (ev): -9.6477 -9.6477 -8.5251 -8.5251 -7.2246 -7.2246 -7.2202 -7.2202 -6.8304 -6.8304 -6.7675 -6.7675 -3.2587 -3.2587 -1.8150 -1.8150 0.3876 0.3876 0.6500 0.6500 0.7132 0.7132 1.1808 1.1808 1.3472 1.3472 2.4342 2.4342 2.5658 2.5658 3.3439 3.3439 3.4369 3.4369 3.6363 3.6363 3.7435 3.7435 3.8681 3.8681 4.3139 4.3139 4.5978 4.5978 4.6658 4.6658 4.8812 4.8812 5.1744 5.1744 5.2837 5.2837 5.4287 5.4287 5.4390 5.4390 5.8315 5.8315 5.9283 5.9283 6.1299 6.1299 6.3260 6.3260 6.6718 6.6718 7.0121 7.0121 7.4054 7.4054 8.5522 8.5522 9.0716 9.0716 9.6823 9.6823 9.8459 9.8459 9.9017 9.9017 k = 0.3509 0.6067-0.0475 ( 6655 PWs) bands (ev): -9.6442 -9.6442 -8.5319 -8.5319 -7.2182 -7.2182 -7.2176 -7.2176 -6.8404 -6.8404 -6.7665 -6.7665 -3.2558 -3.2558 -1.8113 -1.8113 0.3839 0.3839 0.6641 0.6641 0.7238 0.7238 1.1732 1.1732 1.3474 1.3474 2.4430 2.4430 2.5699 2.5699 3.3358 3.3358 3.4322 3.4322 3.6458 3.6458 3.7511 3.7511 3.8233 3.8233 4.3146 4.3146 4.5909 4.5909 4.6583 4.6583 4.8903 4.8903 5.1683 5.1683 5.2847 5.2847 5.4279 5.4279 5.4391 5.4391 5.8338 5.8338 5.9302 5.9302 6.1245 6.1245 6.3157 6.3157 6.6677 6.6677 7.0027 7.0027 7.4049 7.4049 8.5697 8.5697 9.0802 9.0802 9.6943 9.6943 9.8462 9.8462 9.9145 9.9145 k = 0.3538 0.6117-0.0292 ( 6659 PWs) bands (ev): -9.6404 -9.6404 -8.5393 -8.5393 -7.2154 -7.2154 -7.2109 -7.2109 -6.8502 -6.8502 -6.7659 -6.7659 -3.2526 -3.2526 -1.8077 -1.8077 0.3812 0.3812 0.6774 0.6774 0.7337 0.7337 1.1650 1.1650 1.3468 1.3468 2.4539 2.4539 2.5781 2.5781 3.3262 3.3262 3.4265 3.4265 3.6539 3.6539 3.7553 3.7553 3.7826 3.7826 4.3151 4.3151 4.5807 4.5807 4.6495 4.6495 4.9005 4.9005 5.1613 5.1613 5.2866 5.2866 5.4267 5.4267 5.4406 5.4406 5.8354 5.8354 5.9312 5.9312 6.1188 6.1188 6.3081 6.3081 6.6667 6.6667 6.9909 6.9909 7.4046 7.4046 8.5888 8.5888 9.0896 9.0896 9.7014 9.7014 9.8456 9.8456 9.9348 9.9348 k = 0.3566 0.6166-0.0109 ( 6661 PWs) bands (ev): -9.6364 -9.6364 -8.5470 -8.5470 -7.2132 -7.2132 -7.2034 -7.2034 -6.8597 -6.8597 -6.7657 -6.7657 -3.2493 -3.2493 -1.8041 -1.8041 0.3796 0.3796 0.6893 0.6893 0.7428 0.7428 1.1565 1.1565 1.3456 1.3456 2.4664 2.4664 2.5904 2.5904 3.3148 3.3148 3.4191 3.4191 3.6585 3.6585 3.7320 3.7320 3.7745 3.7745 4.3155 4.3155 4.5680 4.5680 4.6397 4.6397 4.9111 4.9111 5.1538 5.1538 5.2893 5.2893 5.4254 5.4254 5.4431 5.4431 5.8364 5.8364 5.9313 5.9313 6.1130 6.1130 6.3030 6.3030 6.6686 6.6686 6.9778 6.9778 7.4043 7.4043 8.6093 8.6093 9.0995 9.0995 9.7023 9.7023 9.8443 9.8443 9.9637 9.9637 k = 0.3595 0.6216 0.0074 ( 6645 PWs) bands (ev): -9.6324 -9.6324 -8.5549 -8.5549 -7.2112 -7.2112 -7.1954 -7.1954 -6.8687 -6.8687 -6.7658 -6.7658 -3.2459 -3.2459 -1.8005 -1.8005 0.3789 0.3789 0.6996 0.6996 0.7510 0.7510 1.1479 1.1479 1.3441 1.3441 2.4803 2.4803 2.6066 2.6066 3.3012 3.3012 3.4090 3.4090 3.6518 3.6518 3.7078 3.7078 3.7824 3.7824 4.3157 4.3157 4.5533 4.5533 4.6292 4.6292 4.9213 4.9213 5.1457 5.1457 5.2927 5.2927 5.4241 5.4241 5.4466 5.4466 5.8366 5.8366 5.9306 5.9306 6.1074 6.1074 6.3002 6.3002 6.6731 6.6731 6.9639 6.9639 7.4041 7.4041 8.6306 8.6306 9.1095 9.1095 9.6972 9.6972 9.8425 9.8425 10.0002 10.0002 k = 0.3624 0.6266 0.0256 ( 6652 PWs) bands (ev): -9.6283 -9.6283 -8.5629 -8.5629 -7.2097 -7.2097 -7.1870 -7.1870 -6.8771 -6.8771 -6.7663 -6.7663 -3.2427 -3.2427 -1.7971 -1.7971 0.3791 0.3791 0.7079 0.7079 0.7584 0.7584 1.1396 1.1396 1.3424 1.3424 2.4951 2.4951 2.6264 2.6264 3.2848 3.2848 3.3955 3.3955 3.6293 3.6293 3.7037 3.7037 3.7919 3.7919 4.3154 4.3154 4.5370 4.5370 4.6181 4.6181 4.9306 4.9306 5.1372 5.1372 5.2963 5.2963 5.4230 5.4230 5.4508 5.4508 5.8360 5.8360 5.9291 5.9291 6.1021 6.1021 6.2995 6.2995 6.6799 6.6799 6.9501 6.9501 7.4039 7.4039 8.6526 8.6526 9.1192 9.1192 9.6878 9.6878 9.8406 9.8406 10.0420 10.0420 k = 0.3653 0.6316 0.0439 ( 6651 PWs) bands (ev): -9.6243 -9.6243 -8.5707 -8.5707 -7.2087 -7.2087 -7.1782 -7.1782 -6.8847 -6.8847 -6.7672 -6.7672 -3.2397 -3.2397 -1.7938 -1.7938 0.3801 0.3801 0.7140 0.7140 0.7649 0.7649 1.1320 1.1320 1.3409 1.3409 2.5105 2.5105 2.6494 2.6494 3.2649 3.2649 3.3788 3.3788 3.6047 3.6047 3.7086 3.7086 3.8021 3.8021 4.3148 4.3148 4.5198 4.5198 4.6068 4.6068 4.9385 4.9385 5.1285 5.1285 5.3001 5.3001 5.4223 5.4223 5.4555 5.4555 5.8347 5.8347 5.9269 5.9269 6.0973 6.0973 6.3009 6.3009 6.6887 6.6887 6.9370 6.9370 7.4037 7.4037 8.6749 8.6749 9.1283 9.1283 9.6753 9.6753 9.8390 9.8390 10.0866 10.0866 k = 0.3681 0.6365 0.0622 ( 6639 PWs) bands (ev): -9.6205 -9.6205 -8.5784 -8.5784 -7.2084 -7.2084 -7.1690 -7.1690 -6.8914 -6.8914 -6.7683 -6.7683 -3.2371 -3.2371 -1.7909 -1.7909 0.3818 0.3818 0.7175 0.7175 0.7704 0.7704 1.1254 1.1254 1.3396 1.3396 2.5261 2.5261 2.6748 2.6748 3.2413 3.2413 3.3601 3.3601 3.5854 3.5854 3.7159 3.7159 3.8123 3.8123 4.3136 4.3136 4.5018 4.5018 4.5957 4.5957 4.9449 4.9449 5.1197 5.1197 5.3036 5.3036 5.4220 5.4220 5.4607 5.4607 5.8327 5.8327 5.9241 5.9241 6.0930 6.0930 6.3044 6.3044 6.6992 6.6992 6.9251 6.9251 7.4033 7.4033 8.6975 8.6975 9.1361 9.1361 9.6614 9.6614 9.8381 9.8381 10.1315 10.1315 k = 0.3710 0.6415 0.0804 ( 6626 PWs) bands (ev): -9.6170 -9.6170 -8.5857 -8.5857 -7.2090 -7.2090 -7.1595 -7.1595 -6.8970 -6.8970 -6.7697 -6.7697 -3.2349 -3.2349 -1.7882 -1.7882 0.3838 0.3838 0.7181 0.7181 0.7752 0.7752 1.1204 1.1204 1.3388 1.3388 2.5416 2.5416 2.7020 2.7020 3.2143 3.2143 3.3412 3.3412 3.5719 3.5719 3.7240 3.7240 3.8222 3.8222 4.3120 4.3120 4.4835 4.4835 4.5853 4.5853 4.9494 4.9494 5.1109 5.1109 5.3066 5.3066 5.4223 5.4223 5.4662 5.4662 5.8302 5.8302 5.9208 5.9208 6.0892 6.0892 6.3100 6.3100 6.7111 6.7111 6.9148 6.9148 7.4028 7.4028 8.7202 8.7202 9.1423 9.1423 9.6472 9.6472 9.8381 9.8381 10.1746 10.1746 k = 0.3739 0.6465 0.0987 ( 6613 PWs) bands (ev): -9.6138 -9.6138 -8.5924 -8.5924 -7.2106 -7.2106 -7.1497 -7.1497 -6.9013 -6.9013 -6.7712 -6.7712 -3.2332 -3.2332 -1.7859 -1.7859 0.3861 0.3861 0.7155 0.7155 0.7792 0.7792 1.1171 1.1171 1.3387 1.3387 2.5566 2.5566 2.7299 2.7299 3.1856 3.1856 3.3234 3.3234 3.5633 3.5633 3.7325 3.7325 3.8311 3.8311 4.3100 4.3100 4.4650 4.4650 4.5761 4.5761 4.9520 4.9520 5.1021 5.1021 5.3088 5.3088 5.4231 5.4231 5.4720 5.4720 5.8272 5.8272 5.9171 5.9171 6.0859 6.0859 6.3177 6.3177 6.7240 6.7240 6.9065 6.9065 7.4020 7.4020 8.7430 8.7430 9.1463 9.1463 9.6338 9.6338 9.8393 9.8393 10.2136 10.2136 k = 0.3768 0.6515 0.1170 ( 6621 PWs) bands (ev): -9.6110 -9.6110 -8.5985 -8.5985 -7.2133 -7.2133 -7.1396 -7.1396 -6.9043 -6.9043 -6.7730 -6.7730 -3.2322 -3.2322 -1.7840 -1.7840 0.3883 0.3883 0.7097 0.7097 0.7826 0.7826 1.1156 1.1156 1.3395 1.3395 2.5708 2.5708 2.7570 2.7570 3.1578 3.1578 3.3072 3.3072 3.5581 3.5581 3.7415 3.7415 3.8383 3.8383 4.3079 4.3079 4.4467 4.4467 4.5684 4.5684 4.9526 4.9526 5.0934 5.0934 5.3101 5.3101 5.4245 5.4245 5.4780 5.4780 5.8239 5.8239 5.9131 5.9131 6.0829 6.0829 6.3274 6.3274 6.7377 6.7377 6.9003 6.9003 7.4010 7.4010 8.7658 8.7658 9.1476 9.1476 9.6221 9.6221 9.8419 9.8419 10.2467 10.2467 k = 0.3797 0.6564 0.1352 ( 6623 PWs) bands (ev): -9.6088 -9.6088 -8.6038 -8.6038 -7.2170 -7.2170 -7.1294 -7.1294 -6.9060 -6.9060 -6.7748 -6.7748 -3.2319 -3.2319 -1.7826 -1.7826 0.3902 0.3902 0.7010 0.7010 0.7854 0.7854 1.1160 1.1160 1.3413 1.3413 2.5839 2.5839 2.7818 2.7818 3.1340 3.1340 3.2926 3.2926 3.5554 3.5554 3.7511 3.7511 3.8430 3.8430 4.3060 4.3060 4.4289 4.4289 4.5628 4.5628 4.9514 4.9514 5.0850 5.0850 5.3103 5.3103 5.4264 5.4264 5.4840 5.4840 5.8203 5.8203 5.9090 5.9090 6.0803 6.0803 6.3392 6.3392 6.7517 6.7517 6.8962 6.8962 7.3996 7.3996 8.7885 8.7885 9.1457 9.1457 9.6128 9.6128 9.8461 9.8461 10.2717 10.2717 k = 0.3825 0.6614 0.1535 ( 6616 PWs) bands (ev): -9.6071 -9.6071 -8.6082 -8.6082 -7.2219 -7.2219 -7.1192 -7.1192 -6.9062 -6.9062 -6.7766 -6.7766 -3.2324 -3.2324 -1.7817 -1.7817 0.3915 0.3915 0.6897 0.6897 0.7876 0.7876 1.1178 1.1178 1.3442 1.3442 2.5957 2.5957 2.8026 2.8026 3.1169 3.1169 3.2794 3.2794 3.5546 3.5546 3.7613 3.7613 3.8443 3.8443 4.3048 4.3048 4.4116 4.4116 4.5595 4.5595 4.9485 4.9485 5.0767 5.0767 5.3095 5.3095 5.4289 5.4289 5.4901 5.4901 5.8166 5.8166 5.9049 5.9049 6.0780 6.0780 6.3530 6.3530 6.7659 6.7659 6.8944 6.8944 7.3980 7.3980 8.8111 8.8111 9.1406 9.1406 9.6064 9.6064 9.8519 9.8519 10.2859 10.2859 k = 0.3825 0.6614 0.1535 ( 6616 PWs) bands (ev): -9.6071 -9.6071 -8.6082 -8.6082 -7.2219 -7.2219 -7.1192 -7.1192 -6.9062 -6.9062 -6.7766 -6.7766 -3.2324 -3.2324 -1.7817 -1.7817 0.3915 0.3915 0.6897 0.6897 0.7876 0.7876 1.1178 1.1178 1.3442 1.3442 2.5957 2.5957 2.8026 2.8026 3.1169 3.1169 3.2794 3.2794 3.5546 3.5546 3.7613 3.7613 3.8443 3.8443 4.3048 4.3048 4.4116 4.4116 4.5595 4.5595 4.9485 4.9485 5.0767 5.0767 5.3095 5.3095 5.4289 5.4289 5.4901 5.4901 5.8166 5.8166 5.9049 5.9049 6.0780 6.0780 6.3530 6.3530 6.7659 6.7659 6.8944 6.8944 7.3980 7.3980 8.8111 8.8111 9.1406 9.1406 9.6064 9.6064 9.8519 9.8519 10.2859 10.2859 k = 0.3774 0.6525 0.1700 ( 6618 PWs) bands (ev): -9.6054 -9.6054 -8.6081 -8.6081 -7.2186 -7.2186 -7.1272 -7.1272 -6.8990 -6.8990 -6.7851 -6.7851 -3.2296 -3.2296 -1.7717 -1.7717 0.4178 0.4178 0.6750 0.6750 0.7632 0.7632 1.1230 1.1230 1.3149 1.3149 2.6305 2.6305 2.7826 2.7826 3.1123 3.1123 3.2968 3.2968 3.5496 3.5496 3.7737 3.7737 3.8496 3.8496 4.3136 4.3136 4.4308 4.4308 4.5427 4.5427 4.9407 4.9407 5.0873 5.0873 5.3091 5.3091 5.4304 5.4304 5.4832 5.4832 5.8103 5.8103 5.8989 5.8989 6.0811 6.0811 6.3643 6.3643 6.7923 6.7923 6.8789 6.8789 7.4183 7.4183 8.7999 8.7999 9.1163 9.1163 9.6058 9.6058 9.7898 9.7898 10.3013 10.3013 k = 0.3722 0.6436 0.1866 ( 6616 PWs) bands (ev): -9.6041 -9.6041 -8.6076 -8.6076 -7.2161 -7.2161 -7.1349 -7.1349 -6.8905 -6.8905 -6.7937 -6.7937 -3.2274 -3.2274 -1.7624 -1.7624 0.4443 0.4443 0.6590 0.6590 0.7382 0.7382 1.1287 1.1287 1.2873 1.2873 2.6601 2.6601 2.7632 2.7632 3.1132 3.1132 3.3162 3.3162 3.5448 3.5448 3.7866 3.7866 3.8511 3.8511 4.3227 4.3227 4.4484 4.4484 4.5299 4.5299 4.9317 4.9317 5.0973 5.0973 5.3087 5.3087 5.4313 5.4313 5.4764 5.4764 5.8053 5.8053 5.8938 5.8938 6.0833 6.0833 6.3743 6.3743 6.8200 6.8200 6.8678 6.8678 7.4380 7.4380 8.7903 8.7903 9.0933 9.0933 9.6057 9.6057 9.7298 9.7298 10.3105 10.3105 k = 0.3671 0.6347 0.2031 ( 6616 PWs) bands (ev): -9.6031 -9.6031 -8.6068 -8.6068 -7.2143 -7.2143 -7.1424 -7.1424 -6.8807 -6.8807 -6.8023 -6.8023 -3.2256 -3.2256 -1.7540 -1.7540 0.4711 0.4711 0.6419 0.6419 0.7129 0.7129 1.1346 1.1346 1.2618 1.2618 2.6765 2.6765 2.7537 2.7537 3.1188 3.1188 3.3373 3.3373 3.5399 3.5399 3.7998 3.7998 3.8488 3.8488 4.3313 4.3313 4.4639 4.4639 4.5220 4.5220 4.9218 4.9218 5.1064 5.1064 5.3082 5.3082 5.4315 5.4315 5.4698 5.4698 5.8015 5.8015 5.8897 5.8897 6.0849 6.0849 6.3823 6.3823 6.8447 6.8447 6.8659 6.8659 7.4567 7.4567 8.7821 8.7821 9.0722 9.0722 9.6054 9.6054 9.6727 9.6727 10.3131 10.3131 k = 0.3619 0.6258 0.2196 ( 6612 PWs) bands (ev): -9.6025 -9.6025 -8.6057 -8.6057 -7.2131 -7.2131 -7.1496 -7.1496 -6.8700 -6.8700 -6.8109 -6.8109 -3.2244 -3.2244 -1.7466 -1.7466 0.4978 0.4978 0.6242 0.6242 0.6875 0.6875 1.1403 1.1403 1.2388 1.2388 2.6698 2.6698 2.7647 2.7647 3.1280 3.1280 3.3594 3.3594 3.5349 3.5349 3.8127 3.8127 3.8434 3.8434 4.3387 4.3387 4.4764 4.4764 4.5197 4.5197 4.9113 4.9113 5.1146 5.1146 5.3078 5.3078 5.4310 5.4310 5.4636 5.4636 5.7988 5.7988 5.8867 5.8867 6.0858 6.0858 6.3878 6.3878 6.8512 6.8512 6.8886 6.8886 7.4739 7.4739 8.7755 8.7755 9.0534 9.0534 9.6009 9.6009 9.6232 9.6232 10.3095 10.3095 k = 0.3568 0.6169 0.2362 ( 6623 PWs) bands (ev): -9.6023 -9.6023 -8.6043 -8.6043 -7.2122 -7.2122 -7.1566 -7.1566 -6.8585 -6.8585 -6.8193 -6.8193 -3.2235 -3.2235 -1.7405 -1.7405 0.5241 0.5241 0.6060 0.6060 0.6627 0.6627 1.1445 1.1445 1.2195 1.2195 2.6500 2.6500 2.7875 2.7875 3.1396 3.1396 3.3824 3.3824 3.5297 3.5297 3.8215 3.8215 3.8385 3.8385 4.3442 4.3442 4.4860 4.4860 4.5230 4.5230 4.9004 4.9004 5.1216 5.1216 5.3076 5.3076 5.4299 5.4299 5.4580 5.4580 5.7969 5.7969 5.8849 5.8849 6.0862 6.0862 6.3908 6.3908 6.8544 6.8544 6.9206 6.9206 7.4894 7.4894 8.7702 8.7702 9.0376 9.0376 9.5630 9.5630 9.6108 9.6108 10.3000 10.3000 k = 0.3516 0.6080 0.2527 ( 6631 PWs) bands (ev): -9.6023 -9.6023 -8.6027 -8.6027 -7.2115 -7.2115 -7.1635 -7.1635 -6.8465 -6.8465 -6.8273 -6.8273 -3.2229 -3.2229 -1.7358 -1.7358 0.5486 0.5486 0.5881 0.5881 0.6391 0.6391 1.1451 1.1451 1.2063 1.2063 2.6272 2.6272 2.8124 2.8124 3.1527 3.1527 3.4056 3.4056 3.5245 3.5245 3.8150 3.8150 3.8457 3.8457 4.3477 4.3477 4.4932 4.4932 4.5305 4.5305 4.8893 4.8893 5.1274 5.1274 5.3077 5.3077 5.4282 5.4282 5.4533 5.4533 5.7955 5.7955 5.8844 5.8844 6.0863 6.0863 6.3915 6.3915 6.8615 6.8615 6.9544 6.9544 7.5027 7.5027 8.7660 8.7660 9.0252 9.0252 9.5172 9.5172 9.6102 9.6102 10.2850 10.2850 k = 0.3465 0.5991 0.2692 ( 6635 PWs) bands (ev): -9.6027 -9.6027 -8.6009 -8.6009 -7.2108 -7.2108 -7.1704 -7.1704 -6.8353 -6.8353 -6.8335 -6.8335 -3.2227 -3.2227 -1.7326 -1.7326 0.5606 0.5606 0.5784 0.5784 0.6203 0.6203 1.1395 1.1395 1.2017 1.2017 2.6051 2.6051 2.8364 2.8364 3.1667 3.1667 3.4283 3.4283 3.5197 3.5197 3.8007 3.8007 3.8580 3.8580 4.3492 4.3492 4.4990 4.4990 4.5407 4.5407 4.8782 4.8782 5.1317 5.1317 5.3081 5.3081 5.4263 5.4263 5.4497 5.4497 5.7943 5.7943 5.8850 5.8850 6.0861 6.0861 6.3905 6.3905 6.8727 6.8727 6.9889 6.9889 7.5135 7.5135 8.7630 8.7630 9.0166 9.0166 9.4753 9.4753 9.6104 9.6104 10.2655 10.2655 k = 0.3413 0.5902 0.2858 ( 6631 PWs) bands (ev): -9.6034 -9.6034 -8.5991 -8.5991 -7.2101 -7.2101 -7.1772 -7.1772 -6.8416 -6.8416 -6.8214 -6.8214 -3.2227 -3.2227 -1.7311 -1.7311 0.5459 0.5459 0.5758 0.5758 0.6214 0.6214 1.1283 1.1283 1.2050 1.2050 2.5850 2.5850 2.8585 2.8585 3.1809 3.1809 3.4490 3.4490 3.5164 3.5164 3.7837 3.7837 3.8704 3.8704 4.3492 4.3492 4.5034 4.5034 4.5522 4.5522 4.8672 4.8672 5.1343 5.1343 5.3088 5.3088 5.4244 5.4244 5.4475 5.4475 5.7931 5.7931 5.8866 5.8866 6.0858 6.0858 6.3888 6.3888 6.8872 6.8872 7.0232 7.0232 7.5216 7.5216 8.7608 8.7608 9.0121 9.0121 9.4386 9.4386 9.6107 9.6107 10.2419 10.2419 k = 0.3362 0.5813 0.3023 ( 6633 PWs) bands (ev): -9.6044 -9.6044 -8.5972 -8.5972 -7.2091 -7.2091 -7.1841 -7.1841 -6.8477 -6.8477 -6.8087 -6.8087 -3.2230 -3.2230 -1.7311 -1.7311 0.5274 0.5274 0.5585 0.5585 0.6417 0.6417 1.1149 1.1149 1.2131 1.2131 2.5676 2.5676 2.8783 2.8783 3.1950 3.1950 3.4640 3.4640 3.5179 3.5179 3.7655 3.7655 3.8815 3.8815 4.3481 4.3481 4.5063 4.5063 4.5643 4.5643 4.8564 4.8564 5.1351 5.1351 5.3098 5.3098 5.4228 5.4228 5.4466 5.4466 5.7916 5.7916 5.8888 5.8888 6.0854 6.0854 6.3871 6.3871 6.9043 6.9043 7.0568 7.0568 7.5266 7.5266 8.7596 8.7596 9.0117 9.0117 9.4076 9.4076 9.6112 9.6112 10.2149 10.2149 k = 0.3311 0.5724 0.3188 ( 6631 PWs) bands (ev): -9.6057 -9.6057 -8.5953 -8.5953 -7.2077 -7.2077 -7.1911 -7.1911 -6.8528 -6.8528 -6.7962 -6.7962 -3.2236 -3.2236 -1.7329 -1.7329 0.5087 0.5087 0.5386 0.5386 0.6656 0.6656 1.1012 1.1012 1.2239 1.2239 2.5531 2.5531 2.8958 2.8958 3.2087 3.2087 3.4689 3.4689 3.5281 3.5281 3.7469 3.7469 3.8908 3.8908 4.3463 4.3463 4.5079 4.5079 4.5764 4.5764 4.8460 4.8460 5.1339 5.1339 5.3111 5.3111 5.4219 5.4219 5.4472 5.4472 5.7900 5.7900 5.8913 5.8913 6.0850 6.0850 6.3862 6.3862 6.9231 6.9231 7.0891 7.0891 7.5285 7.5285 8.7594 8.7594 9.0151 9.0151 9.3829 9.3829 9.6121 9.6121 10.1852 10.1852 k = 0.3259 0.5635 0.3354 ( 6623 PWs) bands (ev): -9.6072 -9.6072 -8.5935 -8.5935 -7.2060 -7.2060 -7.1983 -7.1983 -6.8569 -6.8569 -6.7840 -6.7840 -3.2245 -3.2245 -1.7364 -1.7364 0.4902 0.4902 0.5190 0.5190 0.6898 0.6898 1.0880 1.0880 1.2368 1.2368 2.5415 2.5415 2.9107 2.9107 3.2218 3.2218 3.4654 3.4654 3.5449 3.5449 3.7288 3.7288 3.8973 3.8973 4.3440 4.3440 4.5087 4.5087 4.5877 4.5877 4.8361 4.8361 5.1306 5.1306 5.3125 5.3125 5.4221 5.4221 5.4492 5.4492 5.7883 5.7883 5.8937 5.8937 6.0846 6.0846 6.3866 6.3866 6.9425 6.9425 7.1194 7.1194 7.5273 7.5273 8.7606 8.7606 9.0219 9.0219 9.3650 9.3650 9.6137 9.6137 10.1535 10.1535 k = 0.3208 0.5546 0.3519 ( 6627 PWs) bands (ev): -9.6090 -9.6090 -8.5917 -8.5917 -7.2056 -7.2056 -7.2036 -7.2036 -6.8599 -6.8599 -6.7721 -6.7721 -3.2257 -3.2257 -1.7417 -1.7417 0.4722 0.4722 0.5005 0.5005 0.7135 0.7135 1.0757 1.0757 1.2514 1.2514 2.5329 2.5329 2.9231 2.9231 3.2342 3.2342 3.4580 3.4580 3.5635 3.5635 3.7121 3.7121 3.9002 3.9002 4.3414 4.3414 4.5094 4.5094 4.5975 4.5975 4.8272 4.8272 5.1252 5.1252 5.3140 5.3140 5.4234 5.4234 5.4525 5.4525 5.7866 5.7866 5.8957 5.8957 6.0843 6.0843 6.3885 6.3885 6.9619 6.9619 7.1470 7.1470 7.5231 7.5231 8.7634 8.7634 9.0313 9.0313 9.3543 9.3543 9.6165 9.6165 10.1203 10.1203 k = 0.3156 0.5457 0.3684 ( 6623 PWs) bands (ev): -9.6111 -9.6111 -8.5901 -8.5901 -7.2130 -7.2130 -7.2008 -7.2008 -6.8618 -6.8618 -6.7606 -6.7606 -3.2272 -3.2272 -1.7486 -1.7486 0.4546 0.4546 0.4833 0.4833 0.7363 0.7363 1.0644 1.0644 1.2677 1.2677 2.5271 2.5271 2.9331 2.9331 3.2457 3.2457 3.4489 3.4489 3.5807 3.5807 3.6982 3.6982 3.8989 3.8989 4.3388 4.3388 4.5106 4.5106 4.6054 4.6054 4.8194 4.8194 5.1177 5.1177 5.3155 5.3155 5.4260 5.4260 5.4569 5.4569 5.7850 5.7850 5.8973 5.8973 6.0841 6.0841 6.3920 6.3920 6.9803 6.9803 7.1712 7.1712 7.5163 7.5163 8.7682 8.7682 9.0424 9.0424 9.3511 9.3511 9.6211 9.6211 10.0862 10.0862 k = 0.3105 0.5368 0.3849 ( 6617 PWs) bands (ev): -9.6134 -9.6134 -8.5886 -8.5886 -7.2205 -7.2205 -7.1974 -7.1974 -6.8625 -6.8625 -6.7498 -6.7498 -3.2291 -3.2291 -1.7570 -1.7570 0.4376 0.4376 0.4676 0.4676 0.7580 0.7580 1.0541 1.0541 1.2857 1.2857 2.5237 2.5237 2.9406 2.9406 3.2562 3.2562 3.4394 3.4394 3.5941 3.5941 3.6887 3.6887 3.8927 3.8927 4.3361 4.3361 4.5130 4.5130 4.6110 4.6110 4.8131 4.8131 5.1082 5.1082 5.3171 5.3171 5.4298 5.4298 5.4622 5.4622 5.7835 5.7835 5.8984 5.8984 6.0839 6.0839 6.3969 6.3969 6.9972 6.9972 7.1913 7.1913 7.5074 7.5074 8.7754 8.7754 9.0542 9.0542 9.3555 9.3555 9.6279 9.6279 10.0518 10.0518 k = 0.3053 0.5279 0.4015 ( 6611 PWs) bands (ev): -9.6159 -9.6159 -8.5873 -8.5873 -7.2280 -7.2280 -7.1932 -7.1932 -6.8622 -6.8622 -6.7395 -6.7395 -3.2314 -3.2314 -1.7670 -1.7670 0.4211 0.4211 0.4535 0.4535 0.7784 0.7784 1.0448 1.0448 1.3056 1.3056 2.5224 2.5224 2.9459 2.9459 3.2649 3.2649 3.4305 3.4305 3.6016 3.6016 3.6857 3.6857 3.8817 3.8817 4.3335 4.3335 4.5166 4.5166 4.6140 4.6140 4.8089 4.8089 5.0967 5.0967 5.3186 5.3186 5.4347 5.4347 5.4682 5.4682 5.7823 5.7823 5.8990 5.8990 6.0839 6.0839 6.4029 6.4029 7.0119 7.0119 7.2067 7.2067 7.4971 7.4971 8.7852 8.7852 9.0657 9.0657 9.3674 9.3674 9.6377 9.6377 10.0178 10.0178 k = 0.3002 0.5190 0.4180 ( 6616 PWs) bands (ev): -9.6187 -9.6187 -8.5861 -8.5861 -7.2354 -7.2354 -7.1884 -7.1884 -6.8608 -6.8608 -6.7299 -6.7299 -3.2342 -3.2342 -1.7783 -1.7783 0.4051 0.4051 0.4412 0.4412 0.7974 0.7974 1.0363 1.0363 1.3273 1.3273 2.5228 2.5228 2.9490 2.9490 3.2711 3.2711 3.4237 3.4237 3.6025 3.6025 3.6894 3.6894 3.8663 3.8663 4.3311 4.3311 4.5213 4.5213 4.6143 4.6143 4.8072 4.8072 5.0835 5.0835 5.3201 5.3201 5.4405 5.4405 5.4745 5.4745 5.7813 5.7813 5.8993 5.8993 6.0837 6.0837 6.4096 6.4096 7.0239 7.0239 7.2166 7.2166 7.4862 7.4862 8.7979 8.7979 9.0758 9.0758 9.3865 9.3865 9.6507 9.6507 9.9849 9.9849 k = 0.2950 0.5101 0.4345 ( 6616 PWs) bands (ev): -9.6218 -9.6218 -8.5851 -8.5851 -7.2427 -7.2427 -7.1829 -7.1829 -6.8584 -6.8584 -6.7210 -6.7210 -3.2376 -3.2376 -1.7909 -1.7909 0.3895 0.3895 0.4308 0.4308 0.8148 0.8148 1.0286 1.0286 1.3508 1.3508 2.5246 2.5246 2.9502 2.9502 3.2734 3.2734 3.4208 3.4208 3.5992 3.5992 3.6969 3.6969 3.8475 3.8475 4.3288 4.3288 4.5265 4.5265 4.6118 4.6118 4.8085 4.8085 5.0687 5.0687 5.3216 5.3216 5.4470 5.4470 5.4810 5.4810 5.7806 5.7806 5.8995 5.8995 6.0836 6.0836 6.4166 6.4166 7.0328 7.0328 7.2209 7.2209 7.4754 7.4754 8.8134 8.8134 9.0836 9.0836 9.4123 9.4123 9.6669 9.6669 9.9540 9.9540 k = 0.2899 0.5012 0.4511 ( 6618 PWs) bands (ev): -9.6251 -9.6251 -8.5843 -8.5843 -7.2496 -7.2496 -7.1767 -7.1767 -6.8551 -6.8551 -6.7129 -6.7129 -3.2417 -3.2417 -1.8044 -1.8044 0.3742 0.3742 0.4223 0.4223 0.8308 0.8308 1.0215 1.0215 1.3762 1.3762 2.5273 2.5273 2.9498 2.9498 3.2706 3.2706 3.4232 3.4232 3.5943 3.5943 3.7042 3.7042 3.8275 3.8275 4.3267 4.3267 4.5314 4.5314 4.6066 4.6066 4.8130 4.8130 5.0525 5.0525 5.3232 5.3232 5.4541 5.4541 5.4875 5.4875 5.7802 5.7802 5.8997 5.8997 6.0832 6.0832 6.4235 6.4235 7.0383 7.0383 7.2193 7.2193 7.4651 7.4651 8.8314 8.8314 9.0888 9.0888 9.4445 9.4445 9.6856 9.6856 9.9265 9.9265 k = 0.2847 0.4923 0.4676 ( 6619 PWs) bands (ev): -9.6287 -9.6287 -8.5837 -8.5837 -7.2562 -7.2562 -7.1697 -7.1697 -6.8510 -6.8510 -6.7056 -6.7056 -3.2465 -3.2465 -1.8188 -1.8188 0.3593 0.3593 0.4157 0.4157 0.8451 0.8451 1.0150 1.0150 1.4033 1.4033 2.5305 2.5305 2.9481 2.9481 3.2626 3.2626 3.4316 3.4316 3.5895 3.5895 3.7070 3.7070 3.8097 3.8097 4.3249 4.3249 4.5355 4.5355 4.5987 4.5987 4.8209 4.8209 5.0350 5.0350 5.3247 5.3247 5.4616 5.4616 5.4939 5.4939 5.7802 5.7802 5.9000 5.9000 6.0827 6.0827 6.4299 6.4299 7.0403 7.0403 7.2124 7.2124 7.4556 7.4556 8.8515 8.8515 9.0914 9.0914 9.4821 9.4821 9.7053 9.7053 9.9047 9.9047 k = 0.2847 0.4923 0.4676 ( 6619 PWs) bands (ev): -9.6287 -9.6287 -8.5837 -8.5837 -7.2562 -7.2562 -7.1697 -7.1697 -6.8510 -6.8510 -6.7056 -6.7056 -3.2465 -3.2465 -1.8188 -1.8188 0.3593 0.3593 0.4157 0.4157 0.8451 0.8451 1.0150 1.0150 1.4033 1.4033 2.5305 2.5305 2.9481 2.9481 3.2626 3.2626 3.4316 3.4316 3.5895 3.5895 3.7070 3.7070 3.8097 3.8097 4.3249 4.3249 4.5355 4.5355 4.5987 4.5987 4.8209 4.8209 5.0350 5.0350 5.3247 5.3247 5.4616 5.4616 5.4939 5.4939 5.7802 5.7802 5.9000 5.9000 6.0827 6.0827 6.4299 6.4299 7.0403 7.0403 7.2124 7.2124 7.4556 7.4556 8.8515 8.8515 9.0914 9.0914 9.4821 9.4821 9.7053 9.7053 9.9047 9.9047 k = 0.2752 0.4759 0.4676 ( 6615 PWs) bands (ev): -9.6307 -9.6307 -8.5919 -8.5919 -7.2598 -7.2598 -7.1517 -7.1517 -6.8500 -6.8500 -6.6977 -6.6977 -3.2567 -3.2567 -1.8338 -1.8338 0.3447 0.3447 0.4003 0.4003 0.8788 0.8788 0.9868 0.9868 1.4600 1.4600 2.5049 2.5049 2.9812 2.9812 3.2372 3.2372 3.4089 3.4089 3.6004 3.6004 3.7181 3.7181 3.8152 3.8152 4.3233 4.3233 4.5288 4.5288 4.5756 4.5756 4.8336 4.8336 4.9960 4.9960 5.3232 5.3232 5.4705 5.4705 5.5054 5.5054 5.7797 5.7797 5.9086 5.9086 6.0778 6.0778 6.4064 6.4064 7.0477 7.0477 7.2051 7.2051 7.4479 7.4479 8.9022 8.9022 9.0965 9.0965 9.5066 9.5066 9.7419 9.7419 9.9104 9.9104 k = 0.2657 0.4595 0.4676 ( 6613 PWs) bands (ev): -9.6335 -9.6335 -8.6009 -8.6009 -7.2608 -7.2608 -7.1334 -7.1334 -6.8474 -6.8474 -6.6897 -6.6897 -3.2696 -3.2696 -1.8506 -1.8506 0.3299 0.3299 0.3867 0.3867 0.9056 0.9056 0.9626 0.9626 1.5162 1.5162 2.4858 2.4858 3.0136 3.0136 3.2087 3.2087 3.3912 3.3912 3.6094 3.6094 3.7259 3.7259 3.8247 3.8247 4.3217 4.3217 4.5203 4.5203 4.5522 4.5522 4.8446 4.8446 4.9564 4.9564 5.3218 5.3218 5.4801 5.4801 5.5168 5.5168 5.7794 5.7794 5.9182 5.9182 6.0725 6.0725 6.3841 6.3841 7.0558 7.0558 7.1886 7.1886 7.4436 7.4436 8.9574 8.9574 9.0998 9.0998 9.5371 9.5371 9.7640 9.7640 9.9350 9.9350 k = 0.2563 0.4431 0.4676 ( 6615 PWs) bands (ev): -9.6372 -9.6372 -8.6106 -8.6106 -7.2594 -7.2594 -7.1149 -7.1149 -6.8432 -6.8432 -6.6817 -6.6817 -3.2851 -3.2851 -1.8689 -1.8689 0.3149 0.3149 0.3749 0.3749 0.9146 0.9146 0.9528 0.9528 1.5691 1.5691 2.4748 2.4748 3.0445 3.0445 3.1796 3.1796 3.3787 3.3787 3.6159 3.6159 3.7322 3.7322 3.8363 3.8363 4.3195 4.3195 4.5089 4.5089 4.5296 4.5296 4.8504 4.8504 4.9201 4.9201 5.3212 5.3212 5.4901 5.4901 5.5277 5.5277 5.7791 5.7791 5.9290 5.9290 6.0671 6.0671 6.3637 6.3637 7.0635 7.0635 7.1650 7.1650 7.4419 7.4419 9.0162 9.0162 9.1018 9.1018 9.5723 9.5723 9.7674 9.7674 9.9818 9.9818 k = 0.2468 0.4267 0.4676 ( 6610 PWs) bands (ev): -9.6417 -9.6417 -8.6210 -8.6210 -7.2553 -7.2553 -7.0962 -7.0962 -6.8375 -6.8375 -6.6739 -6.6739 -3.3031 -3.3031 -1.8886 -1.8886 0.2997 0.2997 0.3652 0.3652 0.8994 0.8994 0.9632 0.9632 1.6159 1.6159 2.4737 2.4737 3.0718 3.0718 3.1539 3.1539 3.3713 3.3713 3.6195 3.6195 3.7388 3.7388 3.8483 3.8483 4.3160 4.3160 4.4926 4.4926 4.5103 4.5103 4.8427 4.8427 4.8963 4.8963 5.3220 5.3220 5.5003 5.5003 5.5379 5.5379 5.7792 5.7792 5.9411 5.9411 6.0618 6.0618 6.3453 6.3453 7.0694 7.0694 7.1373 7.1373 7.4415 7.4415 9.0759 9.0759 9.1051 9.1051 9.6107 9.6107 9.7589 9.7589 10.0433 10.0433 k = 0.2373 0.4102 0.4676 ( 6609 PWs) bands (ev): -9.6470 -9.6470 -8.6321 -8.6321 -7.2488 -7.2488 -7.0775 -7.0775 -6.8303 -6.8303 -6.6661 -6.6661 -3.3235 -3.3235 -1.9094 -1.9094 0.2844 0.2844 0.3576 0.3576 0.8793 0.8793 0.9742 0.9742 1.6535 1.6535 2.4841 2.4841 3.0877 3.0877 3.1409 3.1409 3.3691 3.3691 3.6198 3.6198 3.7468 3.7468 3.8594 3.8594 4.3100 4.3100 4.4717 4.4717 4.4950 4.4950 4.8187 4.8187 4.8888 4.8888 5.3250 5.3250 5.5107 5.5107 5.5475 5.5475 5.7795 5.7795 5.9546 5.9546 6.0566 6.0566 6.3294 6.3294 7.0688 7.0688 7.1118 7.1118 7.4410 7.4410 9.0992 9.0992 9.1468 9.1468 9.6506 9.6506 9.7452 9.7452 10.1122 10.1122 k = 0.2278 0.3938 0.4676 ( 6601 PWs) bands (ev): -9.6530 -9.6530 -8.6436 -8.6436 -7.2398 -7.2398 -7.0587 -7.0587 -6.8217 -6.8217 -6.6585 -6.6585 -3.3461 -3.3461 -1.9312 -1.9312 0.2691 0.2691 0.3522 0.3522 0.8598 0.8598 0.9801 0.9801 1.6796 1.6796 2.5068 2.5068 3.0823 3.0823 3.1511 3.1511 3.3724 3.3724 3.6164 3.6164 3.7567 3.7567 3.8692 3.8692 4.3005 4.3005 4.4506 4.4506 4.4805 4.4805 4.7917 4.7917 4.8852 4.8852 5.3304 5.3304 5.5211 5.5211 5.5564 5.5564 5.7801 5.7801 5.9695 5.9695 6.0519 6.0519 6.3162 6.3162 7.0510 7.0510 7.1002 7.1002 7.4397 7.4397 9.1004 9.1004 9.2122 9.2122 9.6890 9.6890 9.7313 9.7313 10.1836 10.1836 k = 0.2183 0.3774 0.4676 ( 6603 PWs) bands (ev): -9.6597 -9.6597 -8.6556 -8.6556 -7.2284 -7.2284 -7.0399 -7.0399 -6.8119 -6.8119 -6.6511 -6.6511 -3.3708 -3.3708 -1.9537 -1.9537 0.2537 0.2537 0.3490 0.3490 0.8418 0.8418 0.9799 0.9799 1.6929 1.6929 2.5414 2.5414 3.0700 3.0700 3.1703 3.1703 3.3821 3.3821 3.6091 3.6091 3.7685 3.7685 3.8776 3.8776 4.2867 4.2867 4.4315 4.4315 4.4657 4.4657 4.7691 4.7691 4.8793 4.8793 5.3383 5.3383 5.5311 5.5311 5.5648 5.5648 5.7809 5.7809 5.9857 5.9857 6.0478 6.0478 6.3059 6.3059 7.0204 7.0204 7.0989 7.0989 7.4372 7.4372 9.1010 9.1010 9.2794 9.2794 9.7032 9.7032 9.7409 9.7409 10.2544 10.2544 k = 0.2088 0.3610 0.4676 ( 6601 PWs) bands (ev): -9.6670 -9.6670 -8.6680 -8.6680 -7.2146 -7.2146 -7.0212 -7.0212 -6.8008 -6.8008 -6.6438 -6.6438 -3.3974 -3.3974 -1.9768 -1.9768 0.2384 0.2384 0.3481 0.3481 0.8255 0.8255 0.9736 0.9736 1.6935 1.6935 2.5860 2.5860 3.0603 3.0603 3.1879 3.1879 3.3990 3.3990 3.5982 3.5982 3.7823 3.7823 3.8852 3.8852 4.2694 4.2694 4.4146 4.4146 4.4505 4.4505 4.7534 4.7534 4.8696 4.8696 5.3486 5.3486 5.5404 5.5404 5.5729 5.5729 5.7820 5.7820 6.0029 6.0029 6.0446 6.0446 6.2987 6.2987 6.9870 6.9870 7.0985 7.0985 7.4330 7.4330 9.1020 9.1020 9.3466 9.3466 9.6905 9.6905 9.7769 9.7769 10.3216 10.3216 k = 0.1993 0.3446 0.4676 ( 6605 PWs) bands (ev): -9.6748 -9.6748 -8.6807 -8.6807 -7.1987 -7.1987 -7.0028 -7.0028 -6.7888 -6.7888 -6.6367 -6.6367 -3.4257 -3.4257 -2.0002 -2.0002 0.2232 0.2232 0.3495 0.3495 0.8110 0.8110 0.9616 0.9616 1.6826 1.6826 2.6377 2.6377 3.0552 3.0552 3.2000 3.2000 3.4242 3.4242 3.5846 3.5846 3.7974 3.7974 3.8927 3.8927 4.2504 4.2504 4.3989 4.3989 4.4353 4.4353 4.7452 4.7452 4.8560 4.8560 5.3608 5.3608 5.5487 5.5487 5.5811 5.5811 5.7832 5.7832 6.0196 6.0196 6.0435 6.0435 6.2952 6.2952 6.9540 6.9540 7.0963 7.0963 7.4272 7.4272 9.1037 9.1037 9.4119 9.4119 9.6776 9.6776 9.8139 9.8139 10.3824 10.3824 k = 0.1898 0.3282 0.4676 ( 6613 PWs) bands (ev): -9.6831 -9.6831 -8.6935 -8.6935 -7.1808 -7.1808 -6.9845 -6.9845 -6.7758 -6.7758 -6.6299 -6.6299 -3.4554 -3.4554 -2.0238 -2.0238 0.2080 0.2080 0.3531 0.3531 0.7983 0.7983 0.9446 0.9446 1.6620 1.6620 2.6932 2.6932 3.0548 3.0548 3.2033 3.2033 3.4583 3.4583 3.5706 3.5706 3.8128 3.8128 3.9018 3.9018 4.2319 4.2319 4.3833 4.3833 4.4203 4.4203 4.7444 4.7444 4.8389 4.8389 5.3743 5.3743 5.5554 5.5554 5.5898 5.5898 5.7845 5.7845 6.0301 6.0301 6.0496 6.0496 6.2957 6.2957 6.9224 6.9224 7.0918 7.0918 7.4199 7.4199 9.1062 9.1062 9.4722 9.4722 9.6694 9.6694 9.8491 9.8491 10.4340 10.4340 k = 0.1803 0.3118 0.4676 ( 6615 PWs) bands (ev): -9.6918 -9.6918 -8.7064 -8.7064 -7.1610 -7.1610 -6.9666 -6.9666 -6.7622 -6.7622 -6.6234 -6.6234 -3.4864 -3.4864 -2.0473 -2.0473 0.1931 0.1931 0.3589 0.3589 0.7874 0.7874 0.9234 0.9234 1.6337 1.6337 2.7491 2.7491 3.0586 3.0586 3.1950 3.1950 3.5005 3.5005 3.5603 3.5603 3.8266 3.8266 3.9149 3.9149 4.2155 4.2155 4.3676 4.3676 4.4054 4.4054 4.7495 4.7495 4.8196 4.8196 5.3886 5.3886 5.5605 5.5605 5.5993 5.5993 5.7857 5.7857 6.0317 6.0317 6.0646 6.0646 6.3012 6.3012 6.8928 6.8928 7.0846 7.0846 7.4110 7.4110 9.1095 9.1095 9.5204 9.5204 9.6728 9.6728 9.8818 9.8818 10.4738 10.4738 k = 0.1708 0.2954 0.4676 ( 6614 PWs) bands (ev): -9.7008 -9.7008 -8.7193 -8.7193 -7.1395 -7.1395 -6.9490 -6.9490 -6.7479 -6.7479 -6.6171 -6.6171 -3.5184 -3.5184 -2.0707 -2.0707 0.1783 0.1783 0.3668 0.3668 0.7780 0.7780 0.8989 0.8989 1.5995 1.5995 2.8025 2.8025 3.0660 3.0660 3.1734 3.1734 3.5327 3.5327 3.5740 3.5740 3.8369 3.8369 3.9347 3.9347 4.2023 4.2023 4.3523 4.3523 4.3904 4.3904 4.7562 4.7562 4.8017 4.8017 5.4031 5.4031 5.5638 5.5638 5.6094 5.6094 5.7868 5.7868 6.0313 6.0313 6.0805 6.0805 6.3126 6.3126 6.8656 6.8656 7.0749 7.0749 7.4009 7.4009 9.1135 9.1135 9.5464 9.5464 9.6972 9.6972 9.9118 9.9118 10.4994 10.4994 k = 0.1613 0.2790 0.4676 ( 6607 PWs) bands (ev): -9.7099 -9.7099 -8.7321 -8.7321 -7.1166 -7.1166 -6.9318 -6.9318 -6.7334 -6.7334 -6.6112 -6.6112 -3.5512 -3.5512 -2.0937 -2.0937 0.1638 0.1638 0.3768 0.3768 0.7699 0.7699 0.8723 0.8723 1.5610 1.5610 2.8511 2.8511 3.0749 3.0749 3.1409 3.1409 3.5338 3.5338 3.6318 3.6318 3.8432 3.8432 3.9623 3.9623 4.1924 4.1924 4.3382 4.3382 4.3752 4.3752 4.7502 4.7502 4.7990 4.7990 5.4174 5.4174 5.5658 5.5658 5.6201 5.6201 5.7876 5.7876 6.0308 6.0308 6.0940 6.0940 6.3305 6.3305 6.8412 6.8412 7.0630 7.0630 7.3896 7.3896 9.1180 9.1180 9.5507 9.5507 9.7410 9.7410 9.9393 9.9393 10.5095 10.5095 k = 0.1519 0.2626 0.4676 ( 6614 PWs) bands (ev): -9.7191 -9.7191 -8.7447 -8.7447 -7.0924 -7.0924 -6.9152 -6.9152 -6.7186 -6.7186 -6.6056 -6.6056 -3.5845 -3.5845 -2.1162 -2.1162 0.1497 0.1497 0.3886 0.3886 0.7624 0.7624 0.8449 0.8449 1.5197 1.5197 2.8925 2.8925 3.0664 3.0664 3.1195 3.1195 3.5311 3.5311 3.7025 3.7025 3.8469 3.8469 3.9979 3.9979 4.1859 4.1859 4.3262 4.3262 4.3598 4.3598 4.7277 4.7277 4.8147 4.8147 5.4310 5.4310 5.5665 5.5665 5.6310 5.6310 5.7881 5.7881 6.0304 6.0304 6.1042 6.1042 6.3549 6.3549 6.8196 6.8196 7.0494 7.0494 7.3774 7.3774 9.1229 9.1229 9.5436 9.5436 9.7929 9.7929 9.9642 9.9642 10.5039 10.5039 k = 0.1424 0.2461 0.4676 ( 6614 PWs) bands (ev): -9.7283 -9.7283 -8.7570 -8.7570 -7.0673 -7.0673 -6.8991 -6.8991 -6.7039 -6.7039 -6.6003 -6.6003 -3.6179 -3.6179 -2.1380 -2.1380 0.1359 0.1359 0.4021 0.4021 0.7539 0.7539 0.8193 0.8193 1.4766 1.4766 2.9250 2.9250 3.0181 3.0181 3.1358 3.1358 3.5277 3.5277 3.7758 3.7758 3.8504 3.8504 4.0422 4.0422 4.1823 4.1823 4.3168 4.3168 4.3443 4.3443 4.6994 4.6994 4.8375 4.8375 5.4438 5.4438 5.5663 5.5663 5.6421 5.6421 5.7880 5.7880 6.0302 6.0302 6.1108 6.1108 6.3854 6.3854 6.8009 6.8009 7.0349 7.0349 7.3645 7.3645 9.1277 9.1277 9.5311 9.5311 9.8457 9.8457 9.9867 9.9867 10.4834 10.4834 k = 0.1329 0.2297 0.4676 ( 6609 PWs) bands (ev): -9.7373 -9.7373 -8.7689 -8.7689 -7.0414 -7.0414 -6.8837 -6.8837 -6.6893 -6.6893 -6.5954 -6.5954 -3.6513 -3.6513 -2.1591 -2.1591 0.1226 0.1226 0.4171 0.4171 0.7411 0.7411 0.7993 0.7993 1.4329 1.4329 2.9398 2.9398 2.9648 2.9648 3.1668 3.1668 3.5225 3.5225 3.8331 3.8331 3.8674 3.8674 4.0967 4.0967 4.1814 4.1814 4.3105 4.3105 4.3293 4.3293 4.6688 4.6688 4.8635 4.8635 5.4556 5.4556 5.5652 5.5652 5.6532 5.6532 5.7876 5.7876 6.0301 6.0301 6.1143 6.1143 6.4203 6.4203 6.7852 6.7852 7.0204 7.0204 7.3512 7.3512 9.1323 9.1323 9.5150 9.5150 9.8960 9.8960 10.0073 10.0073 10.4497 10.4497 k = 0.1234 0.2133 0.4676 ( 6606 PWs) bands (ev): -9.7462 -9.7462 -8.7804 -8.7804 -7.0151 -7.0151 -6.8690 -6.8690 -6.6751 -6.6751 -6.5908 -6.5908 -3.6844 -3.6844 -2.1792 -2.1792 0.1098 0.1098 0.4332 0.4332 0.7212 0.7212 0.7885 0.7885 1.3894 1.3894 2.8826 2.8826 2.9709 2.9709 3.2052 3.2052 3.5147 3.5147 3.8440 3.8440 3.9235 3.9235 4.1606 4.1606 4.1850 4.1850 4.3060 4.3060 4.3167 4.3167 4.6373 4.6373 4.8913 4.8913 5.4663 5.4663 5.5636 5.5636 5.6641 5.6641 5.7867 5.7867 6.0298 6.0298 6.1149 6.1149 6.4578 6.4578 6.7724 6.7724 7.0072 7.0072 7.3377 7.3377 9.1362 9.1362 9.4958 9.4958 9.9418 9.9418 10.0263 10.0263 10.4053 10.4053 k = 0.1139 0.1969 0.4676 ( 6606 PWs) bands (ev): -9.7548 -9.7548 -8.7913 -8.7913 -6.9887 -6.9887 -6.8550 -6.8550 -6.6615 -6.6615 -6.5866 -6.5866 -3.7168 -3.7168 -2.1983 -2.1983 0.0976 0.0976 0.4500 0.4500 0.6963 0.6963 0.7852 0.7852 1.3469 1.3469 2.8122 2.8122 2.9823 2.9823 3.2482 3.2482 3.5040 3.5040 3.8462 3.8462 3.9779 3.9779 4.1824 4.1824 4.2389 4.2389 4.3017 4.3017 4.3136 4.3136 4.6055 4.6055 4.9202 4.9202 5.4758 5.4758 5.5614 5.5614 5.6748 5.6748 5.7854 5.7854 6.0292 6.0292 6.1131 6.1131 6.4955 6.4955 6.7624 6.7624 6.9971 6.9971 7.3242 7.3242 9.1391 9.1391 9.4734 9.4734 9.9815 9.9815 10.0446 10.0446 10.3528 10.3528 k = 0.1044 0.1805 0.4676 ( 6606 PWs) bands (ev): -9.7630 -9.7630 -8.8015 -8.8015 -6.9625 -6.9625 -6.8419 -6.8419 -6.6486 -6.6486 -6.5828 -6.5828 -3.7482 -3.7482 -2.2163 -2.2163 0.0860 0.0860 0.4670 0.4670 0.6701 0.6701 0.7863 0.7863 1.3060 1.3060 2.7404 2.7404 2.9907 2.9907 3.2943 3.2943 3.4906 3.4906 3.8474 3.8474 4.0230 4.0230 4.1871 4.1871 4.2651 4.2651 4.3167 4.3167 4.3500 4.3500 4.5745 4.5745 4.9496 4.9496 5.4841 5.4841 5.5588 5.5588 5.6852 5.6852 5.7839 5.7839 6.0282 6.0282 6.1093 6.1093 6.5308 6.5308 6.7549 6.7549 6.9922 6.9922 7.3110 7.3110 9.1407 9.1407 9.4477 9.4477 10.0129 10.0129 10.0632 10.0632 10.2954 10.2954 k = 0.0949 0.1641 0.4676 ( 6616 PWs) bands (ev): -9.7707 -9.7707 -8.8112 -8.8112 -6.9367 -6.9367 -6.8297 -6.8297 -6.6366 -6.6366 -6.5794 -6.5794 -3.7783 -3.7783 -2.2331 -2.2331 0.0751 0.0751 0.4834 0.4834 0.6448 0.6448 0.7904 0.7904 1.2673 1.2673 2.6692 2.6692 2.9968 2.9968 3.3421 3.3421 3.4753 3.4753 3.8482 3.8482 4.0592 4.0592 4.1922 4.1922 4.2531 4.2531 4.3244 4.3244 4.4384 4.4384 4.5470 4.5470 4.9790 4.9790 5.4912 5.4912 5.5560 5.5560 5.6952 5.6952 5.7823 5.7823 6.0267 6.0267 6.1036 6.1036 6.5609 6.5609 6.7497 6.7497 6.9946 6.9946 7.2984 7.2984 9.1406 9.1406 9.4186 9.4186 10.0334 10.0334 10.0827 10.0827 10.2378 10.2378 k = 0.0854 0.1477 0.4676 ( 6606 PWs) bands (ev): -9.7779 -9.7779 -8.8200 -8.8200 -6.9118 -6.9118 -6.8184 -6.8184 -6.6256 -6.6256 -6.5763 -6.5763 -3.8067 -3.8067 -2.2485 -2.2485 0.0650 0.0650 0.4983 0.4983 0.6221 0.6221 0.7965 0.7965 1.2312 1.2312 2.5999 2.5999 3.0012 3.0012 3.3900 3.3900 3.4598 3.4598 3.8488 3.8488 4.0872 4.0872 4.1967 4.1967 4.2388 4.2388 4.3343 4.3343 4.4984 4.4984 4.5556 4.5556 5.0080 5.0080 5.4971 5.4971 5.5530 5.5530 5.7048 5.7048 5.7810 5.7810 6.0249 6.0249 6.0961 6.0961 6.5833 6.5833 6.7464 6.7464 7.0062 7.0062 7.2867 7.2867 9.1386 9.1386 9.3867 9.3867 10.0396 10.0396 10.0993 10.0993 10.1898 10.1898 k = 0.0759 0.1313 0.4676 ( 6602 PWs) bands (ev): -9.7846 -9.7846 -8.8281 -8.8281 -6.8880 -6.8880 -6.8081 -6.8081 -6.6157 -6.6157 -6.5736 -6.5736 -3.8333 -3.8333 -2.2626 -2.2626 0.0558 0.0558 0.5097 0.5097 0.6039 0.6039 0.8042 0.8042 1.1982 1.1982 2.5337 2.5337 3.0045 3.0045 3.4255 3.4255 3.4567 3.4567 3.8491 3.8491 4.1070 4.1070 4.1950 4.1950 4.2307 4.2307 4.3455 4.3455 4.4836 4.4836 4.6417 4.6417 5.0362 5.0362 5.5018 5.5018 5.5500 5.5500 5.7137 5.7137 5.7804 5.7804 6.0226 6.0226 6.0868 6.0868 6.5972 6.5972 6.7446 6.7446 7.0270 7.0270 7.2763 7.2763 9.1343 9.1343 9.3527 9.3527 10.0217 10.0217 10.1065 10.1065 10.1702 10.1702 k = 0.0664 0.1149 0.4676 ( 6598 PWs) bands (ev): -9.7906 -9.7906 -8.8354 -8.8354 -6.8658 -6.8658 -6.7988 -6.7988 -6.6070 -6.6070 -6.5712 -6.5712 -3.8576 -3.8576 -2.2751 -2.2751 0.0475 0.0475 0.5151 0.5151 0.5928 0.5928 0.8130 0.8130 1.1687 1.1687 2.4717 2.4717 3.0070 3.0070 3.4174 3.4174 3.4978 3.4978 3.8491 3.8491 4.1176 4.1176 4.1827 4.1827 4.2341 4.2341 4.3569 4.3569 4.4649 4.4649 4.7321 4.7321 5.0636 5.0636 5.5052 5.5052 5.5470 5.5470 5.7216 5.7216 5.7812 5.7812 6.0200 6.0200 6.0757 6.0757 6.6033 6.6033 6.7440 6.7440 7.0553 7.0553 7.2676 7.2676 9.1275 9.1275 9.3182 9.3182 9.9782 9.9782 10.1106 10.1106 10.1768 10.1768 k = 0.0569 0.0985 0.4676 ( 6586 PWs) bands (ev): -9.7958 -9.7958 -8.8417 -8.8417 -6.8454 -6.8454 -6.7907 -6.7907 -6.5996 -6.5996 -6.5692 -6.5692 -3.8793 -3.8793 -2.2862 -2.2862 0.0402 0.0402 0.5127 0.5127 0.5904 0.5904 0.8225 0.8225 1.1429 1.1429 2.4149 2.4149 3.0089 3.0089 3.4020 3.4020 3.5471 3.5471 3.8490 3.8490 4.1154 4.1154 4.1701 4.1701 4.2421 4.2421 4.3674 4.3674 4.4511 4.4511 4.8167 4.8167 5.0898 5.0898 5.5075 5.5075 5.5443 5.5443 5.7279 5.7279 5.7841 5.7841 6.0171 6.0171 6.0630 6.0630 6.6034 6.6034 6.7442 6.7442 7.0876 7.0876 7.2613 7.2613 9.1178 9.1178 9.2848 9.2848 9.9252 9.9252 10.1171 10.1171 10.1905 10.1905 k = 0.0475 0.0820 0.4676 ( 6576 PWs) bands (ev): -9.8004 -9.8004 -8.8472 -8.8472 -6.8274 -6.8274 -6.7837 -6.7837 -6.5935 -6.5935 -6.5675 -6.5675 -3.8983 -3.8983 -2.2956 -2.2956 0.0338 0.0338 0.5048 0.5048 0.5943 0.5943 0.8321 0.8321 1.1210 1.1210 2.3644 2.3644 3.0103 3.0103 3.3871 3.3871 3.5967 3.5967 3.8487 3.8487 4.0972 4.0972 4.1655 4.1655 4.2497 4.2497 4.3758 4.3758 4.4436 4.4436 4.8919 4.8919 5.1150 5.1150 5.5086 5.5086 5.5418 5.5418 5.7322 5.7322 5.7900 5.7900 6.0140 6.0140 6.0490 6.0490 6.5997 6.5997 6.7450 6.7450 7.1194 7.1194 7.2585 7.2585 9.1057 9.1057 9.2543 9.2543 9.8734 9.8734 10.1244 10.1244 10.2044 10.2044 k = 0.0380 0.0656 0.4676 ( 6574 PWs) bands (ev): -9.8042 -9.8042 -8.8517 -8.8517 -6.8119 -6.8119 -6.7779 -6.7779 -6.5887 -6.5887 -6.5661 -6.5661 -3.9141 -3.9141 -2.3034 -2.3034 0.0286 0.0286 0.4955 0.4955 0.6004 0.6004 0.8411 0.8411 1.1032 1.1032 2.3212 2.3212 3.0113 3.0113 3.3741 3.3741 3.6452 3.6452 3.8485 3.8485 4.0686 4.0686 4.1658 4.1658 4.2554 4.2554 4.3817 4.3817 4.4418 4.4418 4.9549 4.9549 5.1391 5.1391 5.5088 5.5088 5.5395 5.5395 5.7345 5.7345 5.7988 5.7988 6.0102 6.0102 6.0346 6.0346 6.5943 6.5943 6.7461 6.7461 7.1462 7.1462 7.2606 7.2606 9.0918 9.0918 9.2280 9.2280 9.8274 9.8274 10.1315 10.1315 10.2166 10.2166 k = 0.0285 0.0492 0.4676 ( 6568 PWs) bands (ev): -9.8072 -9.8072 -8.8552 -8.8552 -6.7995 -6.7995 -6.7734 -6.7734 -6.5850 -6.5850 -6.5651 -6.5651 -3.9267 -3.9267 -2.3095 -2.3095 0.0245 0.0245 0.4870 0.4870 0.6064 0.6064 0.8489 0.8489 1.0896 1.0896 2.2864 2.2864 3.0120 3.0120 3.3634 3.3634 3.6914 3.6914 3.8484 3.8484 4.0357 4.0357 4.1671 4.1671 4.2589 4.2589 4.3858 4.3858 4.4436 4.4436 5.0036 5.0036 5.1616 5.1616 5.5084 5.5084 5.5375 5.5375 5.7355 5.7355 5.8096 5.8096 6.0043 6.0043 6.0223 6.0223 6.5887 6.5887 6.7473 6.7473 7.1645 7.1645 7.2681 7.2681 9.0779 9.0779 9.2070 9.2070 9.7897 9.7897 10.1377 10.1377 10.2265 10.2265 k = 0.0190 0.0328 0.4676 ( 6582 PWs) bands (ev): -9.8093 -9.8093 -8.8577 -8.8577 -6.7904 -6.7904 -6.7701 -6.7701 -6.5825 -6.5825 -6.5643 -6.5643 -3.9359 -3.9359 -2.3138 -2.3138 0.0215 0.0215 0.4804 0.4804 0.6111 0.6111 0.8549 0.8549 1.0800 1.0800 2.2608 2.2608 3.0125 3.0125 3.3555 3.3555 3.7327 3.7327 3.8485 3.8485 4.0028 4.0028 4.1683 4.1683 4.2608 4.2608 4.3886 4.3886 4.4466 4.4466 5.0372 5.0372 5.1810 5.1810 5.5077 5.5077 5.5359 5.5359 5.7357 5.7357 5.8207 5.8207 5.9947 5.9947 6.0155 6.0155 6.5839 6.5839 6.7483 6.7483 7.1744 7.1744 7.2785 7.2785 9.0659 9.0659 9.1917 9.1917 9.7619 9.7619 10.1425 10.1425 10.2338 10.2338 k = 0.0095 0.0164 0.4676 ( 6584 PWs) bands (ev): -9.8106 -9.8106 -8.8592 -8.8592 -6.7848 -6.7848 -6.7681 -6.7681 -6.5811 -6.5811 -6.5639 -6.5639 -3.9414 -3.9414 -2.3165 -2.3165 0.0197 0.0197 0.4763 0.4763 0.6141 0.6141 0.8586 0.8586 1.0744 1.0744 2.2451 2.2451 3.0128 3.0128 3.3507 3.3507 3.7641 3.7641 3.8490 3.8490 3.9758 3.9758 4.1690 4.1690 4.2616 4.2616 4.3903 4.3903 4.4490 4.4490 5.0563 5.0563 5.1945 5.1945 5.5072 5.5072 5.5348 5.5348 5.7356 5.7356 5.8294 5.8294 5.9855 5.9855 6.0128 6.0128 6.5807 6.5807 6.7489 6.7489 7.1788 7.1788 7.2871 7.2871 9.0579 9.0579 9.1824 9.1824 9.7450 9.7450 10.1456 10.1456 10.2383 10.2383 k = 0.0000 0.0000 0.4676 ( 6586 PWs) bands (ev): -9.8110 -9.8110 -8.8598 -8.8598 -6.7829 -6.7829 -6.7674 -6.7674 -6.5806 -6.5806 -6.5638 -6.5638 -3.9432 -3.9432 -2.3173 -2.3173 0.0191 0.0191 0.4749 0.4749 0.6151 0.6151 0.8599 0.8599 1.0726 1.0726 2.2398 2.2398 3.0129 3.0129 3.3490 3.3490 3.7765 3.7765 3.8495 3.8495 3.9645 3.9645 4.1693 4.1693 4.2618 4.2618 4.3909 4.3909 4.4499 4.4499 5.0625 5.0625 5.1994 5.1994 5.5070 5.5070 5.5344 5.5344 5.7355 5.7355 5.8328 5.8328 5.9817 5.9817 6.0121 6.0121 6.5796 6.5796 6.7492 6.7492 7.1799 7.1799 7.2904 7.2904 9.0550 9.0550 9.1792 9.1792 9.7393 9.7393 10.1467 10.1467 10.2398 10.2398 k = 0.0000 0.0000 0.4676 ( 6586 PWs) bands (ev): -9.8110 -9.8110 -8.8598 -8.8598 -6.7829 -6.7829 -6.7674 -6.7674 -6.5806 -6.5806 -6.5638 -6.5638 -3.9432 -3.9432 -2.3173 -2.3173 0.0191 0.0191 0.4749 0.4749 0.6151 0.6151 0.8599 0.8599 1.0726 1.0726 2.2398 2.2398 3.0129 3.0129 3.3490 3.3490 3.7765 3.7765 3.8495 3.8495 3.9645 3.9645 4.1693 4.1693 4.2618 4.2618 4.3909 4.3909 4.4499 4.4499 5.0625 5.0625 5.1994 5.1994 5.5070 5.5070 5.5344 5.5344 5.7355 5.7355 5.8328 5.8328 5.9817 5.9817 6.0121 6.0121 6.5796 6.5796 6.7492 6.7492 7.1799 7.1799 7.2904 7.2904 9.0550 9.0550 9.1792 9.1792 9.7393 9.7393 10.1467 10.1467 10.2398 10.2398 k = 0.0167-0.0096 0.4676 ( 6584 PWs) bands (ev): -9.8106 -9.8106 -8.8592 -8.8592 -6.7833 -6.7833 -6.7690 -6.7690 -6.5811 -6.5811 -6.5647 -6.5647 -3.9414 -3.9414 -2.3163 -2.3163 0.0198 0.0198 0.4750 0.4750 0.6167 0.6167 0.8619 0.8619 1.0695 1.0695 2.2459 2.2459 3.0128 3.0128 3.3502 3.3502 3.7764 3.7764 3.8379 3.8379 3.9757 3.9757 4.1685 4.1685 4.2620 4.2620 4.3895 4.3895 4.4485 4.4485 5.0570 5.0570 5.1936 5.1936 5.5074 5.5074 5.5348 5.5348 5.7357 5.7357 5.8292 5.8292 5.9823 5.9823 6.0160 6.0160 6.5795 6.5795 6.7493 6.7493 7.1773 7.1773 7.2878 7.2878 9.0593 9.0593 9.1839 9.1839 9.7386 9.7386 10.1493 10.1493 10.2415 10.2415 k = 0.0333-0.0193 0.4676 ( 6574 PWs) bands (ev): -9.8092 -9.8092 -8.8577 -8.8577 -6.7845 -6.7845 -6.7735 -6.7735 -6.5825 -6.5825 -6.5676 -6.5676 -3.9357 -3.9357 -2.3131 -2.3131 0.0219 0.0219 0.4750 0.4750 0.6217 0.6217 0.8677 0.8677 1.0607 1.0607 2.2639 2.2639 3.0126 3.0126 3.3537 3.3537 3.7753 3.7753 3.8120 3.8120 4.0005 4.0005 4.1661 4.1661 4.2625 4.2625 4.3853 4.3853 4.4446 4.4446 5.0396 5.0396 5.1775 5.1775 5.5086 5.5086 5.5358 5.5358 5.7360 5.7360 5.8197 5.8197 5.9838 5.9838 6.0264 6.0264 6.5791 6.5791 6.7498 6.7498 7.1687 7.1687 7.2809 7.2809 9.0717 9.0717 9.1973 9.1973 9.7366 9.7366 10.1574 10.1574 10.2469 10.2469 k = 0.0500-0.0289 0.4676 ( 6564 PWs) bands (ev): -9.8069 -9.8069 -8.8552 -8.8552 -6.7866 -6.7866 -6.7809 -6.7809 -6.5849 -6.5849 -6.5724 -6.5724 -3.9265 -3.9265 -2.3079 -2.3079 0.0254 0.0254 0.4751 0.4751 0.6300 0.6300 0.8768 0.8768 1.0474 1.0474 2.2931 2.2931 3.0122 3.0122 3.3593 3.3593 3.7665 3.7665 3.7881 3.7881 4.0290 4.0290 4.1616 4.1616 4.2631 4.2631 4.3792 4.3792 4.4391 4.4391 5.0085 5.0085 5.1543 5.1543 5.5101 5.5101 5.5372 5.5372 5.7363 5.7363 5.8073 5.8073 5.9862 5.9862 6.0406 6.0406 6.5783 6.5783 6.7505 6.7505 7.1532 7.1532 7.2718 7.2718 9.0917 9.0917 9.2180 9.2180 9.7336 9.7336 10.1709 10.1709 10.2557 10.2557 k = 0.0667-0.0386 0.4676 ( 6574 PWs) bands (ev): -9.8037 -9.8037 -8.8517 -8.8517 -6.7923 -6.7923 -6.7884 -6.7884 -6.5883 -6.5883 -6.5790 -6.5790 -3.9137 -3.9137 -2.3007 -2.3007 0.0303 0.0303 0.4751 0.4751 0.6416 0.6416 0.8878 0.8878 1.0320 1.0320 2.3322 2.3322 3.0117 3.0117 3.3669 3.3669 3.7371 3.7371 3.7829 3.7829 4.0558 4.0558 4.1543 4.1543 4.2634 4.2634 4.3723 4.3723 4.4333 4.4333 4.9622 4.9622 5.1276 5.1276 5.5116 5.5116 5.5389 5.5389 5.7360 5.7360 5.7948 5.7948 5.9892 5.9892 6.0560 6.0560 6.5771 6.5771 6.7513 6.7513 7.1299 7.1299 7.2628 7.2628 9.1177 9.1177 9.2437 9.2437 9.7300 9.7300 10.1901 10.1901 10.2676 10.2676 k = 0.0833-0.0482 0.4676 ( 6576 PWs) bands (ev): -9.7996 -9.7996 -8.8472 -8.8472 -6.8051 -6.8051 -6.7921 -6.7921 -6.5927 -6.5927 -6.5873 -6.5873 -3.8976 -3.8976 -2.2914 -2.2914 0.0365 0.0365 0.4752 0.4752 0.6564 0.6564 0.8978 0.8978 1.0184 1.0184 2.3798 2.3798 3.0111 3.0111 3.3761 3.3761 3.7021 3.7021 3.7828 3.7828 4.0773 4.0773 4.1441 4.1441 4.2627 4.2627 4.3664 4.3664 4.4294 4.4294 4.9012 4.9012 5.0993 5.0993 5.5129 5.5129 5.5405 5.5405 5.7341 5.7341 5.7846 5.7846 5.9925 5.9925 6.0711 6.0711 6.5755 6.5755 6.7519 6.7519 7.0997 7.0997 7.2552 7.2552 9.1484 9.1484 9.2721 9.2721 9.7262 9.7262 10.2153 10.2153 10.2817 10.2817 k = 0.1000-0.0578 0.4676 ( 6584 PWs) bands (ev): -9.7948 -9.7948 -8.8418 -8.8418 -6.8208 -6.8208 -6.7962 -6.7962 -6.5995 -6.5995 -6.5957 -6.5957 -3.8784 -3.8784 -2.2803 -2.2803 0.0440 0.0440 0.4752 0.4752 0.6744 0.6744 0.9011 0.9011 1.0135 1.0135 2.4346 2.4346 3.0103 3.0103 3.3866 3.3866 3.6662 3.6662 3.7836 3.7836 4.0878 4.0878 4.1327 4.1327 4.2604 4.2604 4.3631 4.3631 4.4301 4.4301 4.8276 4.8276 5.0698 5.0698 5.5139 5.5139 5.5419 5.5419 5.7297 5.7297 5.7782 5.7782 5.9959 5.9959 6.0848 6.0848 6.5734 6.5734 6.7523 6.7523 7.0643 7.0643 7.2487 7.2487 9.1817 9.1817 9.3011 9.3011 9.7227 9.7227 10.2466 10.2466 10.2964 10.2964 k = 0.1167-0.0675 0.4676 ( 6590 PWs) bands (ev): -9.7891 -9.7891 -8.8355 -8.8355 -6.8389 -6.8389 -6.8009 -6.8009 -6.6106 -6.6106 -6.6023 -6.6023 -3.8563 -3.8563 -2.2673 -2.2673 0.0527 0.0527 0.4755 0.4755 0.6952 0.6952 0.8931 0.8931 1.0230 1.0230 2.4950 2.4950 3.0093 3.0093 3.3978 3.3978 3.6304 3.6304 3.7848 3.7848 4.0793 4.0793 4.1258 4.1258 4.2563 4.2563 4.3629 4.3629 4.4381 4.4381 4.7445 4.7445 5.0386 5.0386 5.5146 5.5146 5.5430 5.5430 5.7225 5.7225 5.7759 5.7759 5.9990 5.9990 6.0968 6.0968 6.5712 6.5712 6.7522 6.7522 7.0261 7.0261 7.2430 7.2430 9.2160 9.2160 9.3293 9.3293 9.7194 9.7194 10.2835 10.2835 10.3097 10.3097 k = 0.1333-0.0771 0.4676 ( 6596 PWs) bands (ev): -9.7826 -9.7826 -8.8283 -8.8283 -6.8591 -6.8591 -6.8060 -6.8060 -6.6239 -6.6239 -6.6088 -6.6088 -3.8316 -3.8316 -2.2527 -2.2527 0.0625 0.0625 0.4760 0.4760 0.7181 0.7181 0.8765 0.8765 1.0453 1.0453 2.5597 2.5597 3.0082 3.0082 3.4091 3.4091 3.5948 3.5948 3.7861 3.7861 4.0538 4.0538 4.1204 4.1204 4.2511 4.2511 4.3655 4.3655 4.4542 4.4542 4.6552 4.6552 5.0055 5.0055 5.5149 5.5149 5.5436 5.5436 5.7133 5.7133 5.7769 5.7769 6.0012 6.0012 6.1069 6.1069 6.5689 6.5689 6.7513 6.7513 6.9870 6.9870 7.2377 7.2377 9.2495 9.2495 9.3557 9.3557 9.7165 9.7165 10.3154 10.3154 10.3298 10.3298 k = 0.1500-0.0868 0.4676 ( 6602 PWs) bands (ev): -9.7755 -9.7755 -8.8204 -8.8204 -6.8811 -6.8811 -6.8117 -6.8117 -6.6388 -6.6388 -6.6158 -6.6158 -3.8046 -3.8046 -2.2365 -2.2365 0.0734 0.0734 0.4769 0.4769 0.7418 0.7418 0.8576 0.8576 1.0760 1.0760 2.6273 2.6273 3.0069 3.0069 3.4194 3.4194 3.5597 3.5597 3.7875 3.7875 4.0192 4.0192 4.1099 4.1099 4.2454 4.2454 4.3703 4.3703 4.4764 4.4764 4.5641 4.5641 4.9705 4.9705 5.5148 5.5148 5.5438 5.5438 5.7033 5.7033 5.7799 5.7799 6.0023 6.0023 6.1150 6.1150 6.5671 6.5671 6.7494 6.7494 6.9485 6.9485 7.2325 7.2325 9.2811 9.2811 9.3804 9.3804 9.7136 9.7136 10.3202 10.3202 10.3763 10.3763 k = 0.1667-0.0964 0.4676 ( 6600 PWs) bands (ev): -9.7677 -9.7677 -8.8117 -8.8117 -6.9047 -6.9047 -6.8177 -6.8177 -6.6549 -6.6549 -6.6233 -6.6233 -3.7756 -3.7756 -2.2188 -2.2188 0.0851 0.0851 0.4784 0.4784 0.7620 0.7620 0.8436 0.8436 1.1122 1.1122 2.6962 2.6962 3.0054 3.0054 3.4274 3.4274 3.5255 3.5255 3.7888 3.7888 3.9798 3.9798 4.0929 4.0929 4.2400 4.2400 4.3750 4.3750 4.4618 4.4618 4.5171 4.5171 4.9338 4.9338 5.5142 5.5142 5.5434 5.5434 5.6929 5.6929 5.7841 5.7841 6.0018 6.0018 6.1214 6.1214 6.5661 6.5661 6.7463 6.7463 6.9120 6.9120 7.2274 7.2274 9.3099 9.3099 9.4037 9.4037 9.7103 9.7103 10.3169 10.3169 10.4281 10.4281 k = 0.1833-0.1060 0.4676 ( 6596 PWs) bands (ev): -9.7593 -9.7593 -8.8023 -8.8023 -6.9296 -6.9296 -6.8241 -6.8241 -6.6723 -6.6723 -6.6312 -6.6312 -3.7451 -3.7451 -2.1999 -2.1999 0.0974 0.0974 0.4807 0.4807 0.7691 0.7691 0.8457 0.8457 1.1522 1.1522 2.7647 2.7647 3.0037 3.0037 3.4302 3.4302 3.4934 3.4934 3.7896 3.7896 3.9385 3.9385 4.0702 4.0702 4.2341 4.2341 4.3520 4.3520 4.4070 4.4070 4.5463 4.5463 4.8957 4.8957 5.5130 5.5130 5.5425 5.5425 5.6826 5.6826 5.7893 5.7893 5.9993 5.9993 6.1260 6.1260 6.5663 6.5663 6.7419 6.7419 6.8781 6.8781 7.2223 7.2223 9.3357 9.3357 9.4261 9.4261 9.7064 9.7064 10.3071 10.3071 10.4824 10.4824 k = 0.2000-0.1157 0.4676 ( 6592 PWs) bands (ev): -9.7504 -9.7504 -8.7924 -8.7924 -6.9554 -6.9554 -6.8307 -6.8307 -6.6906 -6.6906 -6.6394 -6.6394 -3.7133 -3.7133 -2.1799 -2.1799 0.1102 0.1102 0.4839 0.4839 0.7608 0.7608 0.8671 0.8671 1.1952 1.1952 2.8306 2.8306 3.0019 3.0019 3.4212 3.4212 3.4685 3.4685 3.7894 3.7894 3.8986 3.8986 4.0425 4.0425 4.2220 4.2220 4.2810 4.2810 4.4090 4.4090 4.5817 4.5817 4.8570 4.8570 5.5110 5.5110 5.5410 5.5410 5.6723 5.6723 5.7950 5.7950 5.9948 5.9948 6.1289 6.1289 6.5677 6.5677 6.7361 6.7361 6.8477 6.8477 7.2172 7.2172 9.3583 9.3583 9.4483 9.4483 9.7014 9.7014 10.2914 10.2914 10.5369 10.5369 k = 0.2167-0.1253 0.4676 ( 6592 PWs) bands (ev): -9.7411 -9.7411 -8.7819 -8.7819 -6.9820 -6.9820 -6.8375 -6.8375 -6.7097 -6.7097 -6.6478 -6.6478 -3.6806 -3.6806 -2.1590 -2.1590 0.1232 0.1232 0.4882 0.4882 0.7476 0.7476 0.8977 0.8977 1.2403 1.2403 2.8908 2.8908 3.0004 3.0004 3.3959 3.3959 3.4538 3.4538 3.7868 3.7868 3.8638 3.8638 4.0105 4.0105 4.1735 4.1735 4.2472 4.2472 4.4193 4.4193 4.6186 4.6186 4.8188 4.8188 5.5082 5.5082 5.5388 5.5388 5.6624 5.6624 5.8013 5.8013 5.9882 5.9882 6.1302 6.1302 6.5699 6.5699 6.7290 6.7290 6.8219 6.8219 7.2122 7.2122 9.3782 9.3782 9.4705 9.4705 9.6953 9.6953 10.2710 10.2710 10.5889 10.5889 k = 0.2333-0.1350 0.4676 ( 6596 PWs) bands (ev): -9.7315 -9.7315 -8.7710 -8.7710 -7.0091 -7.0091 -6.8443 -6.8443 -6.7295 -6.7295 -6.6563 -6.6563 -3.6474 -3.6474 -2.1375 -2.1375 0.1360 0.1360 0.4937 0.4937 0.7355 0.7355 0.9321 0.9321 1.2869 1.2869 2.9394 2.9394 3.0010 3.0010 3.3628 3.3628 3.4402 3.4402 3.7796 3.7796 3.8389 3.8389 3.9738 3.9738 4.1081 4.1081 4.2427 4.2427 4.4295 4.4295 4.6555 4.6555 4.7827 4.7827 5.5042 5.5042 5.5360 5.5360 5.6529 5.6529 5.8079 5.8079 5.9798 5.9798 6.1300 6.1300 6.5715 6.5715 6.7207 6.7207 6.8022 6.8022 7.2073 7.2073 9.3958 9.3958 9.4928 9.4928 9.6880 9.6880 10.2471 10.2471 10.6344 10.6344 k = 0.2500-0.1446 0.4676 ( 6596 PWs) bands (ev): -9.7217 -9.7217 -8.7598 -8.7598 -7.0362 -7.0362 -6.8512 -6.8512 -6.7496 -6.7496 -6.6648 -6.6648 -3.6140 -3.6140 -2.1155 -2.1155 0.1482 0.1482 0.5004 0.5004 0.7266 0.7266 0.9680 0.9680 1.3342 1.3342 2.9647 2.9647 3.0094 3.0094 3.3299 3.3299 3.4221 3.4221 3.7670 3.7670 3.8254 3.8254 3.9332 3.9332 4.0531 4.0531 4.2446 4.2446 4.4372 4.4372 4.6898 4.6898 4.7526 4.7526 5.4989 5.4989 5.5324 5.5324 5.6441 5.6441 5.8149 5.8149 5.9701 5.9701 6.1284 6.1284 6.5703 6.5703 6.7113 6.7113 6.7908 6.7908 7.2024 7.2024 9.4114 9.4114 9.5144 9.5144 9.6801 9.6801 10.2210 10.2210 10.6671 10.6671 k = 0.2667-0.1542 0.4676 ( 6602 PWs) bands (ev): -9.7117 -9.7117 -8.7484 -8.7484 -7.0632 -7.0632 -6.8581 -6.8581 -6.7700 -6.7700 -6.6733 -6.6733 -3.5808 -3.5808 -2.0934 -2.0934 0.1595 0.1595 0.5086 0.5086 0.7221 0.7221 1.0045 1.0045 1.3815 1.3815 2.9652 2.9652 3.0193 3.0193 3.3024 3.3024 3.4002 3.4002 3.7531 3.7531 3.8184 3.8184 3.8929 3.8929 4.0115 4.0115 4.2508 4.2508 4.4395 4.4395 4.7060 4.7060 4.7462 4.7462 5.4921 5.4921 5.5282 5.5282 5.6361 5.6361 5.8221 5.8221 5.9596 5.9596 6.1255 6.1255 6.5641 6.5641 6.7012 6.7012 6.7898 6.7898 7.1975 7.1975 9.4256 9.4256 9.5335 9.5335 9.6728 9.6728 10.1941 10.1941 10.6762 10.6762 k = 0.2833-0.1639 0.4676 ( 6608 PWs) bands (ev): -9.7016 -9.7016 -8.7369 -8.7369 -7.0898 -7.0898 -6.8648 -6.8648 -6.7903 -6.7903 -6.6816 -6.6816 -3.5481 -3.5481 -2.0713 -2.0713 0.1695 0.1695 0.5182 0.5182 0.7227 0.7227 1.0407 1.0407 1.4281 1.4281 2.9516 2.9516 3.0138 3.0138 3.2820 3.2820 3.3794 3.3794 3.7404 3.7404 3.8111 3.8111 3.8603 3.8603 3.9803 3.9803 4.2618 4.2618 4.4340 4.4340 4.6960 4.6960 4.7737 4.7737 5.4836 5.4836 5.5232 5.5232 5.6289 5.6289 5.8295 5.8295 5.9490 5.9490 6.1213 6.1213 6.5520 6.5520 6.6906 6.6906 6.7998 6.7998 7.1924 7.1924 9.4384 9.4384 9.5468 9.5468 9.6693 9.6693 10.1676 10.1676 10.6495 10.6495 k = 0.3000-0.1735 0.4676 ( 6614 PWs) bands (ev): -9.6917 -9.6917 -8.7255 -8.7255 -7.1157 -7.1157 -6.8713 -6.8713 -6.8104 -6.8104 -6.6897 -6.6897 -3.5163 -3.5163 -2.0496 -2.0496 0.1780 0.1780 0.5291 0.5291 0.7287 0.7287 1.0760 1.0760 1.4730 1.4730 2.9209 2.9209 2.9979 2.9979 3.2625 3.2625 3.3664 3.3664 3.7285 3.7285 3.7982 3.7982 3.8425 3.8425 3.9565 3.9565 4.2786 4.2786 4.4196 4.4196 4.6902 4.6902 4.8059 4.8059 5.4733 5.4733 5.5177 5.5177 5.6228 5.6228 5.8366 5.8366 5.9390 5.9390 6.1160 6.1160 6.5347 6.5347 6.6801 6.6801 6.8196 6.8196 7.1868 7.1868 9.4498 9.4498 9.5499 9.5499 9.6732 9.6732 10.1430 10.1430 10.5909 10.5909 k = 0.3167-0.1831 0.4676 ( 6614 PWs) bands (ev): -9.6819 -9.6819 -8.7142 -8.7142 -7.1407 -7.1407 -6.8775 -6.8775 -6.8300 -6.8300 -6.6975 -6.6975 -3.4857 -3.4857 -2.0284 -2.0284 0.1848 0.1848 0.5414 0.5414 0.7404 0.7404 1.1095 1.1095 1.5156 1.5156 2.8699 2.8699 2.9831 2.9831 3.2385 3.2385 3.3623 3.3623 3.7163 3.7163 3.7826 3.7826 3.8361 3.8361 3.9380 3.9380 4.3018 4.3018 4.3977 4.3977 4.6930 4.6930 4.8370 4.8370 5.4613 5.4613 5.5114 5.5114 5.6176 5.6176 5.8432 5.8432 5.9306 5.9306 6.1098 6.1098 6.5137 6.5137 6.6700 6.6700 6.8472 6.8472 7.1808 7.1808 9.4585 9.4585 9.5426 9.5426 9.6854 9.6854 10.1215 10.1215 10.5152 10.5152 k = 0.3333-0.1928 0.4676 ( 6618 PWs) bands (ev): -9.6725 -9.6725 -8.7033 -8.7033 -7.1644 -7.1644 -6.8835 -6.8835 -6.8489 -6.8489 -6.7048 -6.7048 -3.4566 -3.4566 -2.0081 -2.0081 0.1899 0.1899 0.5548 0.5548 0.7576 0.7576 1.1406 1.1406 1.5548 1.5548 2.8051 2.8051 2.9708 2.9708 3.2118 3.2118 3.3619 3.3619 3.7041 3.7041 3.7691 3.7691 3.8340 3.8340 3.9230 3.9230 4.3306 4.3306 4.3726 4.3726 4.7028 4.7028 4.8657 4.8657 5.4478 5.4478 5.5045 5.5045 5.6132 5.6132 5.8486 5.8486 5.9246 5.9246 6.1027 6.1027 6.4908 6.4908 6.6607 6.6607 6.8804 6.8804 7.1742 7.1742 9.4608 9.4608 9.5309 9.5309 9.7026 9.7026 10.1041 10.1041 10.4332 10.4332 k = 0.3500-0.2024 0.4676 ( 6624 PWs) bands (ev): -9.6635 -9.6635 -8.6928 -8.6928 -7.1867 -7.1867 -6.8891 -6.8891 -6.8668 -6.8668 -6.7117 -6.7117 -3.4293 -3.4293 -1.9889 -1.9889 0.1935 0.1935 0.5692 0.5692 0.7801 0.7801 1.1685 1.1685 1.5900 1.5900 2.7339 2.7339 2.9600 2.9600 3.1863 3.1863 3.3609 3.3609 3.6927 3.6927 3.7574 3.7574 3.8330 3.8330 3.9100 3.9100 4.3363 4.3363 4.3758 4.3758 4.7169 4.7169 4.8913 4.8913 5.4331 5.4331 5.4971 5.4971 5.6096 5.6096 5.8522 5.8522 5.9220 5.9220 6.0949 6.0949 6.4671 6.4671 6.6527 6.6527 6.9172 6.9172 7.1669 7.1669 9.4501 9.4501 9.5250 9.5250 9.7211 9.7211 10.0917 10.0917 10.3505 10.3505 k = 0.3667-0.2121 0.4676 ( 6626 PWs) bands (ev): -9.6551 -9.6551 -8.6829 -8.6829 -7.2074 -7.2074 -6.8943 -6.8943 -6.8834 -6.8834 -6.7180 -6.7180 -3.4041 -3.4041 -1.9710 -1.9710 0.1957 0.1957 0.5843 0.5843 0.8073 0.8073 1.1923 1.1923 1.6204 1.6204 2.6613 2.6613 2.9505 2.9505 3.1641 3.1641 3.3577 3.3577 3.6827 3.6827 3.7461 3.7461 3.8321 3.8321 3.8980 3.8980 4.3107 4.3107 4.4171 4.4171 4.7335 4.7335 4.9133 4.9133 5.4178 5.4178 5.4891 5.4891 5.6065 5.6065 5.8535 5.8535 5.9234 5.9234 6.0865 6.0865 6.4437 6.4437 6.6462 6.6462 6.9560 6.9560 7.1590 7.1590 9.4253 9.4253 9.5277 9.5277 9.7382 9.7382 10.0844 10.0844 10.2708 10.2708 k = 0.3833-0.2217 0.4676 ( 6632 PWs) bands (ev): -9.6473 -9.6473 -8.6738 -8.6738 -7.2261 -7.2261 -6.9009 -6.9009 -6.8969 -6.8969 -6.7238 -6.7238 -3.3813 -3.3813 -1.9546 -1.9546 0.1968 0.1968 0.5995 0.5995 0.8385 0.8385 1.2113 1.2113 1.6456 1.6456 2.5906 2.5906 2.9428 2.9428 3.1458 3.1458 3.3522 3.3522 3.6741 3.6741 3.7348 3.7348 3.8308 3.8308 3.8864 3.8864 4.2856 4.2856 4.4647 4.4647 4.7510 4.7510 4.9309 4.9309 5.4023 5.4023 5.4808 5.4808 5.6040 5.6040 5.8529 5.8529 5.9281 5.9281 6.0778 6.0778 6.4214 6.4214 6.6412 6.6412 6.9952 6.9952 7.1507 7.1507 9.3928 9.3928 9.5345 9.5345 9.7526 9.7526 10.0823 10.0823 10.1971 10.1971 k = 0.4000-0.2313 0.4676 ( 6638 PWs) bands (ev): -9.6403 -9.6403 -8.6655 -8.6655 -7.2428 -7.2428 -6.9135 -6.9135 -6.9023 -6.9023 -6.7288 -6.7288 -3.3610 -3.3610 -1.9400 -1.9400 0.1972 0.1972 0.6146 0.6146 0.8729 0.8729 1.2246 1.2246 1.6654 1.6654 2.5244 2.5244 2.9376 2.9376 3.1313 3.1313 3.3451 3.3451 3.6658 3.6658 3.7242 3.7242 3.8287 3.8287 3.8754 3.8754 4.2637 4.2637 4.5151 4.5151 4.7681 4.7681 4.9437 4.9437 5.3872 5.3872 5.4724 5.4724 5.6020 5.6020 5.8513 5.8513 5.9353 5.9353 6.0688 6.0688 6.4007 6.4007 6.6379 6.6379 7.0329 7.0329 7.1426 7.1426 9.3575 9.3575 9.5418 9.5418 9.7638 9.7638 10.0840 10.0840 10.1317 10.1317 k = 0.4167-0.2410 0.4676 ( 6636 PWs) bands (ev): -9.6342 -9.6342 -8.6582 -8.6582 -7.2572 -7.2572 -6.9254 -6.9254 -6.9060 -6.9060 -6.7332 -6.7332 -3.3435 -3.3435 -1.9273 -1.9273 0.1971 0.1971 0.6289 0.6289 0.9094 0.9094 1.2318 1.2318 1.6801 1.6801 2.4649 2.4649 2.9354 2.9354 3.1202 3.1202 3.3374 3.3374 3.6563 3.6563 3.7160 3.7160 3.8250 3.8250 3.8655 3.8655 4.2455 4.2455 4.5660 4.5660 4.7839 4.7839 4.9512 4.9512 5.3734 5.3734 5.4643 5.4643 5.6003 5.6003 5.8494 5.8494 5.9438 5.9438 6.0599 6.0599 6.3823 6.3823 6.6360 6.6360 7.0666 7.0666 7.1361 7.1361 9.3225 9.3225 9.5478 9.5478 9.7720 9.7720 10.0728 10.0728 10.0921 10.0921 k = 0.4333-0.2506 0.4676 ( 6640 PWs) bands (ev): -9.6291 -9.6291 -8.6521 -8.6521 -7.2692 -7.2692 -6.9355 -6.9355 -6.9089 -6.9089 -6.7368 -6.7368 -3.3289 -3.3289 -1.9167 -1.9167 0.1966 0.1966 0.6417 0.6417 0.9466 0.9466 1.2327 1.2327 1.6903 1.6903 2.4139 2.4139 2.9360 2.9360 3.1117 3.1117 3.3299 3.3299 3.6448 3.6448 3.7119 3.7119 3.8194 3.8194 3.8577 3.8577 4.2313 4.2313 4.6155 4.6155 4.7973 4.7973 4.9534 4.9534 5.3613 5.3613 5.4567 5.4567 5.5989 5.5989 5.8477 5.8477 5.9529 5.9529 6.0512 6.0512 6.3666 6.3666 6.6354 6.6354 7.0910 7.0910 7.1355 7.1355 9.2902 9.2902 9.5518 9.5518 9.7775 9.7775 10.0290 10.0290 10.0974 10.0974 k = 0.4500-0.2603 0.4676 ( 6638 PWs) bands (ev): -9.6250 -9.6250 -8.6473 -8.6473 -7.2787 -7.2787 -6.9435 -6.9435 -6.9112 -6.9112 -6.7397 -6.7397 -3.3175 -3.3175 -1.9083 -1.9083 0.1961 0.1961 0.6525 0.6525 0.9825 0.9825 1.2279 1.2279 1.6968 1.6968 2.3729 2.3729 2.9385 2.9385 3.1055 3.1055 3.3233 3.3233 3.6323 3.6323 3.7117 3.7117 3.8118 3.8118 3.8526 3.8526 4.2208 4.2208 4.6611 4.6611 4.8075 4.8075 4.9509 4.9509 5.3515 5.3515 5.4502 5.4502 5.5979 5.5979 5.8463 5.8463 5.9618 5.9618 6.0430 6.0430 6.3540 6.3540 6.6355 6.6355 7.0988 7.0988 7.1470 7.1470 9.2625 9.2625 9.5538 9.5538 9.7811 9.7811 9.9950 9.9950 10.1042 10.1042 k = 0.4667-0.2699 0.4676 ( 6638 PWs) bands (ev): -9.6221 -9.6221 -8.6437 -8.6437 -7.2856 -7.2856 -6.9494 -6.9494 -6.9129 -6.9129 -6.7418 -6.7418 -3.3092 -3.3092 -1.9023 -1.9023 0.1957 0.1957 0.6608 0.6608 1.0144 1.0144 1.2189 1.2189 1.7006 1.7006 2.3428 2.3428 2.9418 2.9418 3.1011 3.1011 3.3182 3.3182 3.6211 3.6211 3.7140 3.7140 3.8038 3.8038 3.8497 3.8497 4.2136 4.2136 4.7001 4.7001 4.8134 4.8134 4.9453 4.9453 5.3444 5.3444 5.4452 5.4452 5.5971 5.5971 5.8454 5.8454 5.9696 5.9696 6.0358 6.0358 6.3449 6.3449 6.6361 6.6361 7.0973 7.0973 7.1629 7.1629 9.2413 9.2413 9.5542 9.5542 9.7833 9.7833 9.9717 9.9717 10.1100 10.1100 k = 0.4833-0.2795 0.4676 ( 6628 PWs) bands (ev): -9.6203 -9.6203 -8.6416 -8.6416 -7.2897 -7.2897 -6.9529 -6.9529 -6.9139 -6.9139 -6.7430 -6.7430 -3.3042 -3.3042 -1.8986 -1.8986 0.1954 0.1954 0.6659 0.6659 1.0378 1.0378 1.2096 1.2096 1.7024 1.7024 2.3245 2.3245 2.9445 2.9445 3.0986 3.0986 3.3150 3.3150 3.6134 3.6134 3.7168 3.7168 3.7975 3.7975 3.8483 3.8483 4.2094 4.2094 4.7284 4.7284 4.8150 4.8150 4.9396 4.9396 5.3401 5.3401 5.4420 5.4420 5.5967 5.5967 5.8449 5.8449 5.9753 5.9753 6.0306 6.0306 6.3393 6.3393 6.6367 6.6367 7.0949 7.0949 7.1742 7.1742 9.2280 9.2280 9.5539 9.5539 9.7844 9.7844 9.9583 9.9583 10.1139 10.1139 k = 0.5000-0.2892 0.4676 ( 6638 PWs) bands (ev): -9.6197 -9.6197 -8.6408 -8.6408 -7.2911 -7.2911 -6.9541 -6.9541 -6.9142 -6.9142 -6.7434 -6.7434 -3.3025 -3.3025 -1.8974 -1.8974 0.1953 0.1953 0.6677 0.6677 1.0467 1.0467 1.2054 1.2054 1.7030 1.7030 2.3183 2.3183 2.9455 2.9455 3.0977 3.0977 3.3139 3.3139 3.6106 3.6106 3.7180 3.7180 3.7951 3.7951 3.8478 3.8478 4.2080 4.2080 4.7393 4.7393 4.8147 4.8147 4.9371 4.9371 5.3387 5.3387 5.4409 5.4409 5.5965 5.5965 5.8447 5.8447 5.9774 5.9774 6.0286 6.0286 6.3374 6.3374 6.6369 6.6369 7.0939 7.0939 7.1781 7.1781 9.2234 9.2234 9.5536 9.5536 9.7848 9.7848 9.9539 9.9539 10.1152 10.1152 k = 0.5000-0.2892 0.4676 ( 6638 PWs) bands (ev): -9.6197 -9.6197 -8.6408 -8.6408 -7.2911 -7.2911 -6.9541 -6.9541 -6.9142 -6.9142 -6.7434 -6.7434 -3.3025 -3.3025 -1.8974 -1.8974 0.1953 0.1953 0.6677 0.6677 1.0467 1.0467 1.2054 1.2054 1.7030 1.7030 2.3183 2.3183 2.9455 2.9455 3.0977 3.0977 3.3139 3.3139 3.6106 3.6106 3.7180 3.7180 3.7951 3.7951 3.8478 3.8478 4.2080 4.2080 4.7393 4.7393 4.8147 4.8147 4.9371 4.9371 5.3387 5.3387 5.4409 5.4409 5.5965 5.5965 5.8447 5.8447 5.9774 5.9774 6.0286 6.0286 6.3374 6.3374 6.6369 6.6369 7.0939 7.0939 7.1781 7.1781 9.2234 9.2234 9.5536 9.5536 9.7848 9.7848 9.9539 9.9539 10.1152 10.1152 k = 0.5090-0.2736 0.4676 ( 6630 PWs) bands (ev): -9.6195 -9.6195 -8.6406 -8.6406 -7.2907 -7.2907 -6.9538 -6.9538 -6.9162 -6.9162 -6.7432 -6.7432 -3.3018 -3.3018 -1.8964 -1.8964 0.1964 0.1964 0.6679 0.6679 1.0447 1.0447 1.2043 1.2043 1.6997 1.6997 2.3208 2.3208 2.9478 2.9478 3.0981 3.0981 3.3089 3.3089 3.6090 3.6090 3.7105 3.7105 3.7991 3.7991 3.8592 3.8592 4.2088 4.2088 4.7376 4.7376 4.8168 4.8168 4.9382 4.9382 5.3383 5.3383 5.4408 5.4408 5.5959 5.5959 5.8447 5.8447 5.9763 5.9763 6.0289 6.0289 6.3378 6.3378 6.6381 6.6381 7.0923 7.0923 7.1793 7.1793 9.2200 9.2200 9.5501 9.5501 9.7730 9.7730 9.9627 9.9627 10.1204 10.1204 k = 0.5181-0.2579 0.4676 ( 6634 PWs) bands (ev): -9.6192 -9.6192 -8.6399 -8.6399 -7.2894 -7.2894 -6.9529 -6.9529 -6.9221 -6.9221 -6.7426 -6.7426 -3.2998 -3.2998 -1.8935 -1.8935 0.1999 0.1999 0.6685 0.6685 1.0386 1.0386 1.2010 1.2010 1.6902 1.6902 2.3280 2.3280 2.9546 2.9546 3.0991 3.0991 3.2941 3.2941 3.6041 3.6041 3.6979 3.6979 3.8036 3.8036 3.8906 3.8906 4.2112 4.2112 4.7325 4.7325 4.8230 4.8230 4.9413 4.9413 5.3371 5.3371 5.4403 5.4403 5.5938 5.5938 5.8446 5.8446 5.9731 5.9731 6.0298 6.0298 6.3389 6.3389 6.6415 6.6415 7.0874 7.0874 7.1831 7.1831 9.2100 9.2100 9.5387 9.5387 9.7457 9.7457 9.9826 9.9826 10.1353 10.1353 k = 0.5271-0.2423 0.4676 ( 6631 PWs) bands (ev): -9.6186 -9.6186 -8.6387 -8.6387 -7.2873 -7.2873 -6.9515 -6.9515 -6.9314 -6.9314 -6.7420 -6.7420 -3.2964 -3.2964 -1.8888 -1.8888 0.2058 0.2058 0.6696 0.6696 1.0287 1.0287 1.1958 1.1958 1.6748 1.6748 2.3396 2.3396 2.9655 2.9655 3.1008 3.1008 3.2702 3.2702 3.5966 3.5966 3.6904 3.6904 3.8060 3.8060 3.9334 3.9334 4.2150 4.2150 4.7248 4.7248 4.8326 4.8326 4.9464 4.9464 5.3351 5.3351 5.4395 5.4395 5.5904 5.5904 5.8444 5.8444 5.9681 5.9681 6.0313 6.0313 6.3407 6.3407 6.6471 6.6471 7.0792 7.0792 7.1898 7.1898 9.1934 9.1934 9.5179 9.5179 9.7149 9.7149 10.0055 10.0055 10.1580 10.1580 k = 0.5361-0.2267 0.4676 ( 6634 PWs) bands (ev): -9.6178 -9.6178 -8.6371 -8.6371 -7.2843 -7.2843 -6.9494 -6.9494 -6.9438 -6.9438 -6.7415 -6.7415 -3.2919 -3.2919 -1.8823 -1.8823 0.2139 0.2139 0.6712 0.6712 1.0151 1.0151 1.1887 1.1887 1.6542 1.6542 2.3552 2.3552 2.9800 2.9800 3.1031 3.1031 3.2387 3.2387 3.5885 3.5885 3.6893 3.6893 3.8074 3.8074 3.9815 3.9815 4.2202 4.2202 4.7147 4.7147 4.8450 4.8450 4.9532 4.9532 5.3323 5.3323 5.4385 5.4385 5.5856 5.5856 5.8441 5.8441 5.9616 5.9616 6.0333 6.0333 6.3429 6.3429 6.6546 6.6546 7.0677 7.0677 7.1995 7.1995 9.1706 9.1706 9.4869 9.4869 9.6878 9.6878 10.0292 10.0292 10.1850 10.1850 k = 0.5452-0.2111 0.4676 ( 6622 PWs) bands (ev): -9.6168 -9.6168 -8.6351 -8.6351 -7.2805 -7.2805 -6.9588 -6.9588 -6.9468 -6.9468 -6.7416 -6.7416 -3.2863 -3.2863 -1.8743 -1.8743 0.2245 0.2245 0.6733 0.6733 0.9982 0.9982 1.1800 1.1800 1.6291 1.6291 2.3742 2.3742 2.9968 2.9968 3.1055 3.1055 3.2024 3.2024 3.5816 3.5816 3.6933 3.6933 3.8087 3.8087 4.0319 4.0319 4.2266 4.2266 4.7025 4.7025 4.8599 4.8599 4.9615 4.9615 5.3289 5.3289 5.4374 5.4374 5.5796 5.5796 5.8434 5.8434 5.9542 5.9542 6.0359 6.0359 6.3454 6.3454 6.6638 6.6638 7.0533 7.0533 7.2125 7.2125 9.1420 9.1420 9.4474 9.4474 9.6660 9.6660 10.0545 10.0545 10.2133 10.2133 k = 0.5542-0.1954 0.4676 ( 6626 PWs) bands (ev): -9.6156 -9.6156 -8.6327 -8.6327 -7.2758 -7.2758 -6.9758 -6.9758 -6.9436 -6.9436 -6.7425 -6.7425 -3.2799 -3.2799 -1.8648 -1.8648 0.2374 0.2374 0.6759 0.6759 0.9783 0.9783 1.1700 1.1700 1.6002 1.6002 2.3961 2.3961 3.0140 3.0140 3.1058 3.1058 3.1670 3.1670 3.5764 3.5764 3.7005 3.7005 3.8102 3.8102 4.0830 4.0830 4.2342 4.2342 4.6886 4.6886 4.8765 4.8765 4.9709 4.9709 5.3249 5.3249 5.4361 5.4361 5.5722 5.5722 5.8421 5.8421 5.9462 5.9462 6.0391 6.0391 6.3480 6.3480 6.6742 6.6742 7.0364 7.0364 7.2285 7.2285 9.1081 9.1081 9.4028 9.4028 9.6488 9.6488 10.0823 10.0823 10.2405 10.2405 k = 0.5633-0.1798 0.4676 ( 6630 PWs) bands (ev): -9.6144 -9.6144 -8.6299 -8.6299 -7.2704 -7.2704 -6.9944 -6.9944 -6.9398 -6.9398 -6.7444 -6.7444 -3.2729 -3.2729 -1.8542 -1.8542 0.2526 0.2526 0.6789 0.6789 0.9557 0.9557 1.1592 1.1592 1.5683 1.5683 2.4204 2.4204 3.0260 3.0260 3.0958 3.0958 3.1472 3.1472 3.5728 3.5728 3.7098 3.7098 3.8122 3.8122 4.1338 4.1338 4.2428 4.2428 4.6729 4.6729 4.8942 4.8942 4.9812 4.9812 5.3207 5.3207 5.4348 5.4348 5.5636 5.5636 5.8402 5.8402 5.9381 5.9381 6.0430 6.0430 6.3504 6.3504 6.6856 6.6856 7.0176 7.0176 7.2474 7.2474 9.0698 9.0698 9.3565 9.3565 9.6348 9.6348 10.1130 10.1130 10.2651 10.2651 k = 0.5723-0.1642 0.4676 ( 6626 PWs) bands (ev): -9.6130 -9.6130 -8.6268 -8.6268 -7.2642 -7.2642 -7.0142 -7.0142 -6.9355 -6.9355 -6.7473 -6.7473 -3.2655 -3.2655 -1.8427 -1.8427 0.2701 0.2701 0.6822 0.6822 0.9309 0.9309 1.1481 1.1481 1.5340 1.5340 2.4467 2.4467 3.0167 3.0167 3.0846 3.0846 3.1510 3.1510 3.5703 3.5703 3.7202 3.7202 3.8150 3.8150 4.1837 4.1837 4.2523 4.2523 4.6559 4.6559 4.9121 4.9121 4.9922 4.9922 5.3167 5.3167 5.4336 5.4336 5.5537 5.5537 5.8376 5.8376 5.9306 5.9306 6.0475 6.0475 6.3524 6.3524 6.6978 6.6978 6.9975 6.9975 7.2690 7.2690 9.0279 9.0279 9.3111 9.3111 9.6235 9.6235 10.1454 10.1454 10.2619 10.2619 k = 0.5813-0.1486 0.4676 ( 6624 PWs) bands (ev): -9.6116 -9.6116 -8.6234 -8.6234 -7.2572 -7.2572 -7.0349 -7.0349 -6.9307 -6.9307 -6.7513 -6.7513 -3.2580 -3.2580 -1.8306 -1.8306 0.2900 0.2900 0.6856 0.6856 0.9043 0.9043 1.1374 1.1374 1.4979 1.4979 2.4747 2.4747 2.9811 2.9811 3.0893 3.0893 3.1670 3.1670 3.5682 3.5682 3.7308 3.7308 3.8186 3.8186 4.2321 4.2321 4.2627 4.2627 4.6378 4.6378 4.9284 4.9284 5.0044 5.0044 5.3131 5.3131 5.4325 5.4325 5.5428 5.5428 5.8341 5.8341 5.9237 5.9237 6.0528 6.0528 6.3539 6.3539 6.7105 6.7105 6.9767 6.9767 7.2928 7.2928 8.9837 8.9837 9.2683 9.2683 9.6147 9.6147 10.1674 10.1674 10.1985 10.1985 k = 0.5904-0.1329 0.4676 ( 6622 PWs) bands (ev): -9.6103 -9.6103 -8.6198 -8.6198 -7.2494 -7.2494 -7.0560 -7.0560 -6.9253 -6.9253 -6.7563 -6.7563 -3.2506 -3.2506 -1.8181 -1.8181 0.3122 0.3122 0.6887 0.6887 0.8763 0.8763 1.1281 1.1281 1.4604 1.4604 2.5039 2.5039 2.9367 2.9367 3.0976 3.0976 3.1901 3.1901 3.5661 3.5661 3.7410 3.7410 3.8233 3.8233 4.2703 4.2703 4.2823 4.2823 4.6187 4.6187 4.9413 4.9413 5.0187 5.0187 5.3105 5.3105 5.4314 5.4314 5.5308 5.5308 5.8300 5.8300 5.9176 5.9176 6.0586 6.0586 6.3548 6.3548 6.7237 6.7237 6.9555 6.9555 7.3183 7.3183 8.9385 8.9385 9.2292 9.2292 9.6083 9.6083 10.0995 10.0995 10.2179 10.2179 k = 0.5994-0.1173 0.4676 ( 6612 PWs) bands (ev): -9.6091 -9.6091 -8.6160 -8.6160 -7.2409 -7.2409 -7.0773 -7.0773 -6.9194 -6.9194 -6.7623 -6.7623 -3.2437 -3.2437 -1.8056 -1.8056 0.3366 0.3366 0.6909 0.6909 0.8473 0.8473 1.1209 1.1209 1.4220 1.4220 2.5341 2.5341 2.8908 2.8908 3.1051 3.1051 3.2176 3.2176 3.5634 3.5634 3.7499 3.7499 3.8291 3.8291 4.2828 4.2828 4.3262 4.3262 4.5990 4.5990 4.9488 4.9488 5.0359 5.0359 5.3091 5.3091 5.4305 5.4305 5.5180 5.5180 5.8255 5.8255 5.9126 5.9126 6.0649 6.0649 6.3550 6.3550 6.7373 6.7373 6.9346 6.9346 7.3449 7.3449 8.8937 8.8937 9.1946 9.1946 9.6047 9.6047 10.0168 10.0168 10.2467 10.2467 k = 0.6084-0.1017 0.4676 ( 6614 PWs) bands (ev): -9.6080 -9.6080 -8.6121 -8.6121 -7.2318 -7.2318 -7.0984 -7.0984 -6.9131 -6.9131 -6.7691 -6.7691 -3.2376 -3.2376 -1.7933 -1.7933 0.3631 0.3631 0.6915 0.6915 0.8176 0.8176 1.1171 1.1171 1.3831 1.3831 2.5649 2.5649 2.8456 2.8456 3.1115 3.1115 3.2478 3.2478 3.5597 3.5597 3.7569 3.7569 3.8361 3.8361 4.2940 4.2940 4.3698 4.3698 4.5792 4.5792 4.9509 4.9509 5.0556 5.0556 5.3088 5.3088 5.4297 5.4297 5.5043 5.5043 5.8209 5.8209 5.9083 5.9083 6.0714 6.0714 6.3544 6.3544 6.7513 6.7513 6.9141 6.9141 7.3718 7.3718 8.8508 8.8508 9.1650 9.1650 9.6040 9.6040 9.9335 9.9335 10.2697 10.2697 k = 0.6175-0.0861 0.4676 ( 6616 PWs) bands (ev): -9.6071 -9.6071 -8.6082 -8.6082 -7.2219 -7.2219 -7.1192 -7.1192 -6.9062 -6.9062 -6.7766 -6.7766 -3.2324 -3.2324 -1.7817 -1.7817 0.3915 0.3915 0.6897 0.6897 0.7876 0.7876 1.1178 1.1178 1.3442 1.3442 2.5957 2.5957 2.8026 2.8026 3.1169 3.1169 3.2794 3.2794 3.5546 3.5546 3.7613 3.7613 3.8443 3.8443 4.3048 4.3048 4.4116 4.4116 4.5595 4.5595 4.9485 4.9485 5.0767 5.0767 5.3095 5.3095 5.4289 5.4289 5.4901 5.4901 5.8166 5.8166 5.9049 5.9049 6.0780 6.0780 6.3530 6.3530 6.7659 6.7659 6.8944 6.8944 7.3980 7.3980 8.8111 8.8111 9.1406 9.1406 9.6064 9.6064 9.8519 9.8519 10.2859 10.2859 k = 0.7153 0.0830 0.1535 ( 6619 PWs) bands (ev): -9.6287 -9.6287 -8.5837 -8.5837 -7.2562 -7.2562 -7.1697 -7.1697 -6.8510 -6.8510 -6.7056 -6.7056 -3.2465 -3.2465 -1.8188 -1.8188 0.3593 0.3593 0.4157 0.4157 0.8451 0.8451 1.0150 1.0150 1.4033 1.4033 2.5305 2.5305 2.9481 2.9481 3.2626 3.2626 3.4316 3.4316 3.5895 3.5895 3.7070 3.7070 3.8097 3.8097 4.3249 4.3249 4.5355 4.5355 4.5987 4.5987 4.8209 4.8209 5.0350 5.0350 5.3247 5.3247 5.4616 5.4616 5.4939 5.4939 5.7802 5.7802 5.9000 5.9000 6.0827 6.0827 6.4299 6.4299 7.0403 7.0403 7.2124 7.2124 7.4556 7.4556 8.8515 8.8515 9.0914 9.0914 9.4821 9.4821 9.7053 9.7053 9.9047 9.9047 k = 0.7124 0.0781 0.1352 ( 6613 PWs) bands (ev): -9.6315 -9.6315 -8.5758 -8.5758 -7.2588 -7.2588 -7.1775 -7.1775 -6.8463 -6.8463 -6.7055 -6.7055 -3.2448 -3.2448 -1.8224 -1.8224 0.3563 0.3563 0.4245 0.4245 0.8264 0.8264 1.0348 1.0348 1.3837 1.3837 2.5601 2.5601 2.9144 2.9144 3.2726 3.2726 3.4664 3.4664 3.5753 3.5753 3.6933 3.6933 3.7912 3.7912 4.3244 4.3244 4.5444 4.5444 4.6088 4.6088 4.8205 4.8205 5.0492 5.0492 5.3275 5.3275 5.4623 5.4623 5.4904 5.4904 5.7810 5.7810 5.8935 5.8935 6.0862 6.0862 6.4585 6.4585 7.0325 7.0325 7.2028 7.2028 7.4529 7.4529 8.8305 8.8305 9.0880 9.0880 9.5081 9.5081 9.6915 9.6915 9.8858 9.8858 k = 0.7095 0.0731 0.1170 ( 6613 PWs) bands (ev): -9.6346 -9.6346 -8.5676 -8.5676 -7.2611 -7.2611 -7.1848 -7.1848 -6.8414 -6.8414 -6.7058 -6.7058 -3.2441 -3.2441 -1.8258 -1.8258 0.3546 0.3546 0.4344 0.4344 0.8062 0.8062 1.0552 1.0552 1.3652 1.3652 2.5889 2.5889 2.8786 2.8786 3.2841 3.2841 3.4986 3.4986 3.5650 3.5650 3.6778 3.6778 3.7755 3.7755 4.3237 4.3237 4.5526 4.5526 4.6183 4.6183 4.8218 4.8218 5.0634 5.0634 5.3296 5.3296 5.4630 5.4630 5.4868 5.4868 5.7821 5.7821 5.8875 5.8875 6.0898 6.0898 6.4877 6.4877 7.0205 7.0205 7.1897 7.1897 7.4488 7.4488 8.8081 8.8081 9.0854 9.0854 9.5352 9.5352 9.6806 9.6806 9.8682 9.8682 k = 0.7066 0.0681 0.0987 ( 6610 PWs) bands (ev): -9.6379 -9.6379 -8.5593 -8.5593 -7.2632 -7.2632 -7.1916 -7.1916 -6.8365 -6.8365 -6.7067 -6.7067 -3.2442 -3.2442 -1.8289 -1.8289 0.3541 0.3541 0.4452 0.4452 0.7848 0.7848 1.0760 1.0760 1.3479 1.3479 2.6156 2.6156 2.8414 2.8414 3.2973 3.2973 3.5200 3.5200 3.5640 3.5640 3.6620 3.6620 3.7646 3.7646 4.3229 4.3229 4.5593 4.5593 4.6272 4.6272 4.8248 4.8248 5.0774 5.0774 5.3310 5.3310 5.4637 5.4637 5.4831 5.4831 5.7833 5.7833 5.8823 5.8823 6.0936 6.0936 6.5172 6.5172 7.0046 7.0046 7.1729 7.1729 7.4440 7.4440 8.7845 8.7845 9.0835 9.0835 9.5625 9.5625 9.6727 9.6727 9.8514 9.8514 k = 0.7038 0.0631 0.0804 ( 6615 PWs) bands (ev): -9.6412 -9.6412 -8.5511 -8.5511 -7.2649 -7.2649 -7.1979 -7.1979 -6.8315 -6.8315 -6.7081 -6.7081 -3.2450 -3.2450 -1.8318 -1.8318 0.3552 0.3552 0.4568 0.4568 0.7625 0.7625 1.0968 1.0968 1.3320 1.3320 2.6385 2.6385 2.8039 2.8039 3.3120 3.3120 3.5223 3.5223 3.5739 3.5739 3.6521 3.6521 3.7598 3.7598 4.3221 4.3221 4.5643 4.5643 4.6353 4.6353 4.8293 4.8293 5.0912 5.0912 5.3318 5.3318 5.4644 5.4644 5.4792 5.4792 5.7846 5.7846 5.8779 5.8779 6.0975 6.0975 6.5466 6.5466 6.9851 6.9851 7.1523 7.1523 7.4390 7.4390 8.7598 8.7598 9.0821 9.0821 9.5893 9.5893 9.6682 9.6682 9.8355 9.8355 k = 0.7009 0.0582 0.0622 ( 6622 PWs) bands (ev): -9.6445 -9.6445 -8.5430 -8.5430 -7.2663 -7.2663 -7.2037 -7.2037 -6.8265 -6.8265 -6.7102 -6.7102 -3.2464 -3.2464 -1.8342 -1.8342 0.3577 0.3577 0.4692 0.4692 0.7397 0.7397 1.1176 1.1176 1.3175 1.3175 2.6557 2.6557 2.7678 2.7678 3.3283 3.3283 3.5163 3.5163 3.5734 3.5734 3.6566 3.6566 3.7634 3.7634 4.3211 4.3211 4.5674 4.5674 4.6428 4.6428 4.8350 4.8350 5.1045 5.1045 5.3318 5.3318 5.4650 5.4650 5.4753 5.4753 5.7860 5.7860 5.8746 5.8746 6.1016 6.1016 6.5750 6.5750 6.9627 6.9627 7.1280 7.1280 7.4343 7.4343 8.7342 8.7342 9.0808 9.0808 9.6148 9.6148 9.6672 9.6672 9.8201 9.8201 k = 0.6980 0.0532 0.0439 ( 6614 PWs) bands (ev): -9.6477 -9.6477 -8.5353 -8.5353 -7.2674 -7.2674 -7.2089 -7.2089 -6.8216 -6.8216 -6.7128 -6.7128 -3.2484 -3.2484 -1.8363 -1.8363 0.3617 0.3617 0.4822 0.4822 0.7169 0.7169 1.1381 1.1381 1.3046 1.3046 2.6633 2.6633 2.7367 2.7367 3.3456 3.3456 3.5084 3.5084 3.5602 3.5602 3.6685 3.6685 3.7785 3.7785 4.3201 4.3201 4.5687 4.5687 4.6496 4.6496 4.8415 4.8415 5.1173 5.1173 5.3313 5.3313 5.4654 5.4654 5.4713 5.4713 5.7874 5.7874 5.8724 5.8724 6.1059 6.1059 6.6016 6.6016 6.9387 6.9387 7.1004 7.1004 7.4301 7.4301 8.7079 8.7079 9.0795 9.0795 9.6376 9.6376 9.6704 9.6704 9.8055 9.8055 k = 0.6951 0.0482 0.0256 ( 6620 PWs) bands (ev): -9.6507 -9.6507 -8.5281 -8.5281 -7.2680 -7.2680 -7.2136 -7.2136 -6.8168 -6.8168 -6.7161 -6.7161 -3.2507 -3.2507 -1.8380 -1.8380 0.3670 0.3670 0.4957 0.4957 0.6943 0.6943 1.1579 1.1579 1.2934 1.2934 2.6541 2.6541 2.7181 2.7181 3.3632 3.3632 3.5002 3.5002 3.5437 3.5437 3.6769 3.6769 3.8054 3.8054 4.3190 4.3190 4.5685 4.5685 4.6557 4.6557 4.8483 4.8483 5.1294 5.1294 5.3301 5.3301 5.4654 5.4654 5.4675 5.4675 5.7887 5.7887 5.8714 5.8714 6.1103 6.1103 6.6245 6.6245 6.9151 6.9151 7.0700 7.0700 7.4265 7.4265 8.6813 8.6813 9.0779 9.0779 9.6546 9.6546 9.6796 9.6796 9.7924 9.7924 k = 0.6923 0.0432 0.0074 ( 6627 PWs) bands (ev): -9.6535 -9.6535 -8.5214 -8.5214 -7.2682 -7.2682 -7.2177 -7.2177 -6.8120 -6.8120 -6.7200 -6.7200 -3.2532 -3.2532 -1.8392 -1.8392 0.3737 0.3737 0.5096 0.5096 0.6725 0.6725 1.1765 1.1765 1.2842 1.2842 2.6289 2.6289 2.7116 2.7116 3.3799 3.3799 3.4921 3.4921 3.5288 3.5288 3.6808 3.6808 3.8402 3.8402 4.3180 4.3180 4.5672 4.5672 4.6612 4.6612 4.8549 4.8549 5.1406 5.1406 5.3282 5.3282 5.4629 5.4629 5.4660 5.4660 5.7900 5.7900 5.8716 5.8716 6.1148 6.1148 6.6407 6.6407 6.8950 6.8950 7.0374 7.0374 7.4234 7.4234 8.6548 8.6548 9.0759 9.0759 9.6644 9.6644 9.6951 9.6951 9.7819 9.7819 k = 0.6894 0.0383-0.0109 ( 6636 PWs) bands (ev): -9.6560 -9.6560 -8.5155 -8.5155 -7.2679 -7.2679 -7.2212 -7.2212 -6.8075 -6.8075 -6.7245 -6.7245 -3.2559 -3.2559 -1.8400 -1.8400 0.3814 0.3814 0.5237 0.5237 0.6519 0.6519 1.1933 1.1933 1.2776 1.2776 2.5984 2.5984 2.7073 2.7073 3.3937 3.3937 3.4855 3.4855 3.5174 3.5174 3.6824 3.6824 3.8781 3.8781 4.3169 4.3169 4.5651 4.5651 4.6661 4.6661 4.8609 4.8609 5.1509 5.1509 5.3258 5.3258 5.4589 5.4589 5.4656 5.4656 5.7913 5.7913 5.8731 5.8731 6.1193 6.1193 6.6467 6.6467 6.8825 6.8825 7.0034 7.0034 7.4209 7.4209 8.6289 8.6289 9.0734 9.0734 9.6691 9.6691 9.7122 9.7122 9.7762 9.7762 k = 0.6865 0.0333-0.0292 ( 6622 PWs) bands (ev): -9.6581 -9.6581 -8.5103 -8.5103 -7.2673 -7.2673 -7.2242 -7.2242 -6.8030 -6.8030 -6.7296 -6.7296 -3.2585 -3.2585 -1.8403 -1.8403 0.3897 0.3897 0.5376 0.5376 0.6332 0.6332 1.2069 1.2069 1.2743 1.2743 2.5678 2.5678 2.7006 2.7006 3.4018 3.4018 3.4825 3.4825 3.5101 3.5101 3.6833 3.6833 3.9163 3.9163 4.3158 4.3158 4.5629 4.5629 4.6704 4.6704 4.8659 4.8659 5.1602 5.1602 5.3228 5.3228 5.4550 5.4550 5.4649 5.4649 5.7929 5.7929 5.8757 5.8757 6.1238 6.1238 6.6393 6.6393 6.8808 6.8808 6.9690 6.9690 7.4187 7.4187 8.6041 8.6041 9.0705 9.0705 9.6692 9.6692 9.7284 9.7284 9.7773 9.7773 k = 0.6836 0.0283-0.0475 ( 6627 PWs) bands (ev): -9.6598 -9.6598 -8.5061 -8.5061 -7.2661 -7.2661 -7.2266 -7.2266 -6.7988 -6.7988 -6.7354 -6.7354 -3.2610 -3.2610 -1.8401 -1.8401 0.3983 0.3983 0.5508 0.5508 0.6175 0.6175 1.2160 1.2160 1.2757 1.2757 2.5390 2.5390 2.6909 2.6909 3.4032 3.4032 3.4826 3.4826 3.5085 3.5085 3.6843 3.6843 3.9522 3.9522 4.3148 4.3148 4.5611 4.5611 4.6742 4.6742 4.8697 4.8697 5.1683 5.1683 5.3193 5.3193 5.4512 5.4512 5.4638 5.4638 5.7947 5.7947 5.8791 5.8791 6.1281 6.1281 6.6196 6.6196 6.8881 6.8881 6.9359 6.9359 7.4169 7.4169 8.5811 8.5811 9.0671 9.0671 9.6645 9.6645 9.7438 9.7438 9.7851 9.7851 k = 0.6808 0.0234-0.0657 ( 6635 PWs) bands (ev): -9.6611 -9.6611 -8.5028 -8.5028 -7.2646 -7.2646 -7.2284 -7.2284 -6.7947 -6.7947 -6.7417 -6.7417 -3.2632 -3.2632 -1.8396 -1.8396 0.4065 0.4065 0.5616 0.5616 0.6070 0.6070 1.2200 1.2200 1.2818 1.2818 2.5127 2.5127 2.6785 2.6785 3.3995 3.3995 3.4812 3.4812 3.5148 3.5148 3.6858 3.6858 3.9839 3.9839 4.3138 4.3138 4.5602 4.5602 4.6774 4.6774 4.8722 4.8722 5.1752 5.1752 5.3153 5.3153 5.4474 5.4474 5.4623 5.4623 5.7969 5.7969 5.8833 5.8833 6.1322 6.1322 6.5911 6.5911 6.8873 6.8873 6.9185 6.9185 7.4153 7.4153 8.5604 8.5604 9.0633 9.0633 9.6566 9.6566 9.7592 9.7592 9.7972 9.7972 k = 0.6779 0.0184-0.0840 ( 6635 PWs) bands (ev): -9.6619 -9.6619 -8.5005 -8.5005 -7.2626 -7.2626 -7.2296 -7.2296 -6.7908 -6.7908 -6.7486 -6.7486 -3.2650 -3.2650 -1.8386 -1.8386 0.4133 0.4133 0.5671 0.5671 0.6054 0.6054 1.2202 1.2202 1.2912 1.2912 2.4894 2.4894 2.6639 2.6639 3.3937 3.3937 3.4775 3.4775 3.5268 3.5268 3.6881 3.6881 4.0098 4.0098 4.3130 4.3130 4.5608 4.5608 4.6800 4.6800 4.8733 4.8733 5.1808 5.1808 5.3110 5.3110 5.4439 5.4439 5.4604 5.4604 5.7995 5.7995 5.8881 5.8881 6.1359 6.1359 6.5581 6.5581 6.8594 6.8594 6.9328 6.9328 7.4139 7.4139 8.5425 8.5425 9.0596 9.0596 9.6478 9.6478 9.7744 9.7744 9.8113 9.8113 k = 0.6750 0.0134-0.1023 ( 6636 PWs) bands (ev): -9.6623 -9.6623 -8.4992 -8.4992 -7.2602 -7.2602 -7.2303 -7.2303 -6.7871 -6.7871 -6.7561 -6.7561 -3.2664 -3.2664 -1.8372 -1.8372 0.4180 0.4180 0.5678 0.5678 0.6129 0.6129 1.2183 1.2183 1.3016 1.3016 2.4694 2.4694 2.6480 2.6480 3.3876 3.3876 3.4729 3.4729 3.5406 3.5406 3.6913 3.6913 4.0282 4.0282 4.3123 4.3123 4.5634 4.5634 4.6820 4.6820 4.8731 4.8731 5.1852 5.1852 5.3065 5.3065 5.4407 5.4407 5.4582 5.4582 5.8025 5.8025 5.8932 5.8932 6.1390 6.1390 6.5234 6.5234 6.8281 6.8281 6.9527 6.9527 7.4126 7.4126 8.5280 8.5280 9.0561 9.0561 9.6397 9.6397 9.7890 9.7890 9.8260 9.8260 k = 0.6721 0.0084-0.1205 ( 6634 PWs) bands (ev): -9.6621 -9.6621 -8.4990 -8.4990 -7.2573 -7.2573 -7.2305 -7.2305 -6.7837 -6.7837 -6.7641 -6.7641 -3.2673 -3.2673 -1.8354 -1.8354 0.4198 0.4198 0.5689 0.5689 0.6247 0.6247 1.2155 1.2155 1.3117 1.3117 2.4530 2.4530 2.6316 2.6316 3.3817 3.3817 3.4681 3.4681 3.5548 3.5548 3.6955 3.6955 4.0379 4.0379 4.3118 4.3118 4.5682 4.5682 4.6833 4.6833 4.8718 4.8718 5.1882 5.1882 5.3019 5.3019 5.4379 5.4379 5.4557 5.4557 5.8059 5.8059 5.8985 5.8985 6.1415 6.1415 6.4891 6.4891 6.7981 6.7981 6.9723 6.9723 7.4114 7.4114 8.5172 8.5172 9.0531 9.0531 9.6335 9.6335 9.8023 9.8023 9.8405 9.8405 k = 0.6693 0.0035-0.1388 ( 6634 PWs) bands (ev): -9.6614 -9.6614 -8.4999 -8.4999 -7.2540 -7.2540 -7.2302 -7.2302 -6.7806 -6.7806 -6.7725 -6.7725 -3.2677 -3.2677 -1.8333 -1.8333 0.4185 0.4185 0.5735 0.5735 0.6379 0.6379 1.2122 1.2122 1.3209 1.3209 2.4401 2.4401 2.6156 2.6156 3.3764 3.3764 3.4632 3.4632 3.5684 3.5684 3.7006 3.7006 4.0381 4.0381 4.3115 4.3115 4.5749 4.5749 4.6840 4.6840 4.8699 4.8699 5.1899 5.1899 5.2974 5.2974 5.4353 5.4353 5.4530 5.4530 5.8096 5.8096 5.9038 5.9038 6.1431 6.1431 6.4564 6.4564 6.7704 6.7704 6.9897 6.9897 7.4103 7.4103 8.5105 8.5105 9.0512 9.0512 9.6303 9.6303 9.8140 9.8140 9.8539 9.8539 k = 0.6664-0.0015-0.1571 ( 6640 PWs) bands (ev): -9.6602 -9.6602 -8.5017 -8.5017 -7.2502 -7.2502 -7.2294 -7.2294 -6.7818 -6.7818 -6.7773 -6.7773 -3.2675 -3.2675 -1.8308 -1.8308 0.4148 0.4148 0.5818 0.5818 0.6513 0.6513 1.2084 1.2084 1.3288 1.3288 2.4309 2.4309 2.6007 2.6007 3.3715 3.3715 3.4585 3.4585 3.5812 3.5812 3.7065 3.7065 4.0288 4.0288 4.3115 4.3115 4.5828 4.5828 4.6837 4.6837 4.8680 4.8680 5.1903 5.1903 5.2933 5.2933 5.4332 5.4332 5.4501 5.4501 5.8136 5.8136 5.9090 5.9090 6.1436 6.1436 6.4263 6.4263 6.7455 6.7455 7.0038 7.0038 7.4093 7.4093 8.5079 8.5079 9.0504 9.0504 9.6306 9.6306 9.8237 9.8237 9.8655 9.8655 k = 0.6664-0.0015-0.1571 ( 6640 PWs) bands (ev): -9.6602 -9.6602 -8.5017 -8.5017 -7.2502 -7.2502 -7.2294 -7.2294 -6.7818 -6.7818 -6.7773 -6.7773 -3.2675 -3.2675 -1.8308 -1.8308 0.4148 0.4148 0.5818 0.5818 0.6513 0.6513 1.2084 1.2084 1.3288 1.3288 2.4309 2.4309 2.6007 2.6007 3.3715 3.3715 3.4585 3.4585 3.5812 3.5812 3.7065 3.7065 4.0288 4.0288 4.3115 4.3115 4.5828 4.5828 4.6837 4.6837 4.8680 4.8680 5.1903 5.1903 5.2933 5.2933 5.4332 5.4332 5.4501 5.4501 5.8136 5.8136 5.9090 5.9090 6.1436 6.1436 6.4263 6.4263 6.7455 6.7455 7.0038 7.0038 7.4093 7.4093 8.5079 8.5079 9.0504 9.0504 9.6306 9.6306 9.8237 9.8237 9.8655 9.8655 k = 0.6576-0.0167-0.1488 ( 6638 PWs) bands (ev): -9.6609 -9.6609 -8.5011 -8.5011 -7.2474 -7.2474 -7.2346 -7.2346 -6.7834 -6.7834 -6.7714 -6.7714 -3.2689 -3.2689 -1.8315 -1.8315 0.3942 0.3942 0.5801 0.5801 0.6659 0.6659 1.1690 1.1690 1.3684 1.3684 2.3973 2.3973 2.6420 2.6420 3.3748 3.3748 3.4533 3.4533 3.5894 3.5894 3.6939 3.6939 4.0423 4.0423 4.3100 4.3100 4.5656 4.5656 4.7138 4.7138 4.8565 4.8565 5.1864 5.1864 5.2954 5.2954 5.4352 5.4352 5.4468 5.4468 5.8143 5.8143 5.9113 5.9113 6.1417 6.1417 6.4327 6.4327 6.7246 6.7246 7.0462 7.0462 7.4137 7.4137 8.5139 8.5139 9.0529 9.0529 9.6046 9.6046 9.8210 9.8210 9.8695 9.8695 k = 0.6489-0.0318-0.1405 ( 6641 PWs) bands (ev): -9.6622 -9.6622 -8.5006 -8.5006 -7.2648 -7.2648 -7.2175 -7.2175 -6.7849 -6.7849 -6.7651 -6.7651 -3.2727 -3.2727 -1.8330 -1.8330 0.3665 0.3665 0.5831 0.5831 0.6814 0.6814 1.1331 1.1331 1.4103 1.4103 2.3656 2.3656 2.6870 2.6870 3.3698 3.3698 3.4521 3.4521 3.5882 3.5882 3.6871 3.6871 4.0554 4.0554 4.3087 4.3087 4.5490 4.5490 4.7437 4.7437 4.8474 4.8474 5.1752 5.1752 5.2966 5.2966 5.4349 5.4349 5.4495 5.4495 5.8149 5.8149 5.9135 5.9135 6.1370 6.1370 6.4412 6.4412 6.7045 6.7045 7.0874 7.0874 7.4162 7.4162 8.5267 8.5267 9.0592 9.0592 9.5760 9.5760 9.7969 9.7969 9.9061 9.9061 k = 0.6401-0.0469-0.1323 ( 6639 PWs) bands (ev): -9.6640 -9.6640 -8.5004 -8.5004 -7.2814 -7.2814 -7.1991 -7.1991 -6.7863 -6.7863 -6.7585 -6.7585 -3.2789 -3.2789 -1.8354 -1.8354 0.3352 0.3352 0.5878 0.5878 0.6969 0.6969 1.1026 1.1026 1.4528 1.4528 2.3363 2.3363 2.7350 2.7350 3.3588 3.3588 3.4525 3.4525 3.5793 3.5793 3.6852 3.6852 4.0673 4.0673 4.3077 4.3077 4.5330 4.5330 4.7710 4.7710 4.8426 4.8426 5.1579 5.1579 5.2969 5.2969 5.4322 5.4322 5.4575 5.4575 5.8153 5.8153 5.9154 5.9154 6.1299 6.1299 6.4516 6.4516 6.6845 6.6845 7.1264 7.1264 7.4175 7.4175 8.5464 8.5464 9.0690 9.0690 9.5463 9.5463 9.7755 9.7755 9.9485 9.9485 k = 0.6313-0.0621-0.1240 ( 6647 PWs) bands (ev): -9.6662 -9.6662 -8.5004 -8.5004 -7.2974 -7.2974 -7.1795 -7.1795 -6.7875 -6.7875 -6.7519 -6.7519 -3.2872 -3.2872 -1.8386 -1.8386 0.3027 0.3027 0.5922 0.5922 0.7123 0.7123 1.0783 1.0783 1.4954 1.4954 2.3094 2.3094 2.7852 2.7852 3.3444 3.3444 3.4521 3.4521 3.5656 3.5656 3.6857 3.6857 4.0776 4.0776 4.3074 4.3074 4.5176 4.5176 4.7900 4.7900 4.8469 4.8469 5.1359 5.1359 5.2964 5.2964 5.4299 5.4299 5.4673 5.4673 5.8154 5.8154 5.9171 5.9171 6.1209 6.1209 6.4638 6.4638 6.6644 6.6644 7.1627 7.1627 7.4185 7.4185 8.5726 8.5726 9.0822 9.0822 9.5176 9.5176 9.7572 9.7572 9.9930 9.9930 k = 0.6226-0.0772-0.1157 ( 6647 PWs) bands (ev): -9.6687 -9.6687 -8.5005 -8.5005 -7.3125 -7.3125 -7.1591 -7.1591 -6.7887 -6.7887 -6.7453 -6.7453 -3.2974 -3.2974 -1.8425 -1.8425 0.2702 0.2702 0.5952 0.5952 0.7273 0.7273 1.0600 1.0600 1.5377 1.5377 2.2851 2.2851 2.8370 2.8370 3.3282 3.3282 3.4493 3.4493 3.5498 3.5498 3.6870 3.6870 4.0858 4.0858 4.3079 4.3079 4.5027 4.5027 4.7956 4.7956 4.8642 4.8642 5.1106 5.1106 5.2953 5.2953 5.4290 5.4290 5.4777 5.4777 5.8151 5.8151 5.9184 5.9184 6.1108 6.1108 6.4776 6.4776 6.6436 6.6436 7.1956 7.1956 7.4198 7.4198 8.6052 8.6052 9.0984 9.0984 9.4916 9.4916 9.7413 9.7413 10.0371 10.0371 k = 0.6138-0.0924-0.1075 ( 6644 PWs) bands (ev): -9.6715 -9.6715 -8.5008 -8.5008 -7.3268 -7.3268 -7.1382 -7.1382 -6.7897 -6.7897 -6.7388 -6.7388 -3.3091 -3.3091 -1.8470 -1.8470 0.2384 0.2384 0.5967 0.5967 0.7416 0.7416 1.0476 1.0476 1.5797 1.5797 2.2631 2.2631 2.8895 2.8895 3.3112 3.3112 3.4440 3.4440 3.5330 3.5330 3.6885 3.6885 4.0918 4.0918 4.3095 4.3095 4.4882 4.4882 4.7927 4.7927 4.8880 4.8880 5.0837 5.0837 5.2936 5.2936 5.4298 5.4298 5.4881 5.4881 5.8145 5.8145 5.9194 5.9194 6.1001 6.1001 6.4927 6.4927 6.6219 6.6219 7.2247 7.2247 7.4219 7.4219 8.6436 8.6436 9.1173 9.1173 9.4698 9.4698 9.7271 9.7271 10.0778 10.0778 k = 0.6051-0.1075-0.0992 ( 6647 PWs) bands (ev): -9.6744 -9.6744 -8.5012 -8.5012 -7.3401 -7.3401 -7.1169 -7.1169 -6.7906 -6.7906 -6.7325 -6.7325 -3.3220 -3.3220 -1.8521 -1.8521 0.2079 0.2079 0.5968 0.5968 0.7551 0.7551 1.0404 1.0404 1.6209 1.6209 2.2435 2.2435 2.9420 2.9420 3.2941 3.2941 3.4365 3.4365 3.5158 3.5158 3.6904 3.6904 4.0955 4.0955 4.3123 4.3123 4.4739 4.4739 4.7860 4.7860 4.9105 4.9105 5.0579 5.0579 5.2915 5.2915 5.4325 5.4325 5.4981 5.4981 5.8134 5.8134 5.9199 5.9199 6.0895 6.0895 6.5088 6.5088 6.5994 6.5994 7.2497 7.2497 7.4251 7.4251 8.6870 8.6870 9.1381 9.1381 9.4534 9.4534 9.7142 9.7142 10.1035 10.1035 k = 0.5963-0.1226-0.0909 ( 6635 PWs) bands (ev): -9.6774 -9.6774 -8.5017 -8.5017 -7.3526 -7.3526 -7.0957 -7.0957 -6.7914 -6.7914 -6.7266 -6.7266 -3.3358 -3.3358 -1.8574 -1.8574 0.1790 0.1790 0.5958 0.5958 0.7677 0.7677 1.0376 1.0376 1.6614 1.6614 2.2261 2.2261 2.9932 2.9932 3.2775 3.2775 3.4279 3.4279 3.4981 3.4981 3.6930 3.6930 4.0969 4.0969 4.3167 4.3167 4.4598 4.4598 4.7770 4.7770 4.9243 4.9243 5.0392 5.0392 5.2892 5.2892 5.4371 5.4371 5.5077 5.5077 5.8119 5.8119 5.9200 5.9200 6.0794 6.0794 6.5248 6.5248 6.5767 6.5767 7.2706 7.2706 7.4296 7.4296 8.7342 8.7342 9.1601 9.1601 9.4437 9.4437 9.7025 9.7025 10.0907 10.0907 k = 0.5876-0.1378-0.0827 ( 6631 PWs) bands (ev): -9.6805 -9.6805 -8.5022 -8.5022 -7.3641 -7.3641 -7.0747 -7.0747 -6.7921 -6.7921 -6.7211 -6.7211 -3.3501 -3.3501 -1.8630 -1.8630 0.1518 0.1518 0.5944 0.5944 0.7792 0.7792 1.0382 1.0382 1.7008 1.7008 2.2104 2.2104 3.0417 3.0417 3.2616 3.2616 3.4192 3.4192 3.4801 3.4801 3.6971 3.6971 4.0961 4.0961 4.3225 4.3225 4.4462 4.4462 4.7657 4.7657 4.9201 4.9201 5.0363 5.0363 5.2869 5.2869 5.4433 5.4433 5.5167 5.5167 5.8099 5.8099 5.9196 5.9196 6.0702 6.0702 6.5348 6.5348 6.5597 6.5597 7.2875 7.2875 7.4351 7.4351 8.7840 8.7840 9.1824 9.1824 9.4414 9.4414 9.6923 9.6923 10.0696 10.0696 k = 0.5788-0.1529-0.0744 ( 6631 PWs) bands (ev): -9.6834 -9.6834 -8.5028 -8.5028 -7.3746 -7.3746 -7.0544 -7.0544 -6.7927 -6.7927 -6.7161 -6.7161 -3.3645 -3.3645 -1.8687 -1.8687 0.1267 0.1267 0.5928 0.5928 0.7896 0.7896 1.0413 1.0413 1.7389 1.7389 2.1963 2.1963 3.0858 3.0858 3.2471 3.2471 3.4115 3.4115 3.4621 3.4621 3.7031 3.7031 4.0929 4.0929 4.3301 4.3301 4.4331 4.4331 4.7524 4.7524 4.8983 4.8983 5.0489 5.0489 5.2846 5.2846 5.4506 5.4506 5.5252 5.5252 5.8076 5.8076 5.9187 5.9187 6.0622 6.0622 6.5199 6.5199 6.5674 6.5674 7.3007 7.3007 7.4413 7.4413 8.8347 8.8347 9.2043 9.2043 9.4469 9.4469 9.6839 9.6839 10.0479 10.0479 k = 0.5701-0.1681-0.0661 ( 6631 PWs) bands (ev): -9.6863 -9.6863 -8.5033 -8.5033 -7.3840 -7.3840 -7.0350 -7.0350 -6.7933 -6.7933 -6.7117 -6.7117 -3.3786 -3.3786 -1.8742 -1.8742 0.1037 0.1037 0.5914 0.5914 0.7989 0.7989 1.0461 1.0461 1.7756 1.7756 2.1834 2.1834 3.1232 3.1232 3.2348 3.2348 3.4049 3.4049 3.4455 3.4455 3.7121 3.7121 4.0873 4.0873 4.3392 4.3392 4.4207 4.4207 4.7374 4.7374 4.8676 4.8676 5.0684 5.0684 5.2826 5.2826 5.4588 5.4588 5.5333 5.5333 5.8048 5.8048 5.9175 5.9175 6.0555 6.0555 6.4964 6.4964 6.5836 6.5836 7.3106 7.3106 7.4479 7.4479 8.8848 8.8848 9.2248 9.2248 9.4603 9.4603 9.6780 9.6780 10.0255 10.0255 k = 0.5613-0.1832-0.0579 ( 6627 PWs) bands (ev): -9.6890 -9.6890 -8.5039 -8.5039 -7.3924 -7.3924 -7.0168 -7.0168 -6.7937 -6.7937 -6.7078 -6.7078 -3.3921 -3.3921 -1.8796 -1.8796 0.0830 0.0830 0.5904 0.5904 0.8070 0.8070 1.0518 1.0518 1.8107 1.8107 2.1713 2.1713 3.1513 3.1513 3.2260 3.2260 3.3969 3.3969 3.4342 3.4342 3.7248 3.7248 4.0791 4.0791 4.3499 4.3499 4.4093 4.4093 4.7211 4.7211 4.8336 4.8336 5.0894 5.0894 5.2808 5.2808 5.4671 5.4671 5.5410 5.5410 5.8018 5.8018 5.9160 5.9160 6.0502 6.0502 6.4726 6.4726 6.6002 6.6002 7.3177 7.3177 7.4547 7.4547 8.9327 8.9327 9.2432 9.2432 9.4804 9.4804 9.6753 9.6753 10.0020 10.0020 k = 0.5525-0.1983-0.0496 ( 6623 PWs) bands (ev): -9.6914 -9.6914 -8.5044 -8.5044 -7.3998 -7.3998 -7.0002 -7.0002 -6.7941 -6.7941 -6.7046 -6.7046 -3.4047 -3.4047 -1.8845 -1.8845 0.0649 0.0649 0.5897 0.5897 0.8140 0.8140 1.0578 1.0578 1.8437 1.8437 2.1596 2.1596 3.1670 3.1670 3.2234 3.2234 3.3833 3.3833 3.4323 3.4323 3.7418 3.7418 4.0679 4.0679 4.3616 4.3616 4.3994 4.3994 4.7044 4.7044 4.7989 4.7989 5.1096 5.1096 5.2794 5.2794 5.4751 5.4751 5.5483 5.5483 5.7987 5.7987 5.9143 5.9143 6.0460 6.0460 6.4499 6.4499 6.6160 6.6160 7.3224 7.3224 7.4613 7.4613 8.9770 8.9770 9.2588 9.2588 9.5055 9.5055 9.6771 9.6771 9.9770 9.9770 k = 0.5438-0.2135-0.0413 ( 6612 PWs) bands (ev): -9.6935 -9.6935 -8.5048 -8.5048 -7.4060 -7.4060 -6.9854 -6.9854 -6.7945 -6.7945 -6.7020 -6.7020 -3.4159 -3.4159 -1.8890 -1.8890 0.0493 0.0493 0.5895 0.5895 0.8198 0.8198 1.0637 1.0637 1.8745 1.8745 2.1482 2.1482 3.1705 3.1705 3.2281 3.2281 3.3658 3.3658 3.4375 3.4375 3.7637 3.7637 4.0534 4.0534 4.3724 4.3724 4.3930 4.3930 4.6881 4.6881 4.7650 4.7650 5.1278 5.1278 5.2782 5.2782 5.4823 5.4823 5.5552 5.5552 5.7955 5.7955 5.9126 5.9126 6.0430 6.0430 6.4292 6.4292 6.6303 6.6303 7.3253 7.3253 7.4674 7.4674 9.0168 9.0168 9.2711 9.2711 9.5328 9.5328 9.6843 9.6843 9.9503 9.9503 k = 0.5350-0.2286-0.0331 ( 6607 PWs) bands (ev): -9.6953 -9.6953 -8.5052 -8.5052 -7.4111 -7.4111 -6.9729 -6.9729 -6.7947 -6.7947 -6.7000 -6.7000 -3.4255 -3.4255 -1.8928 -1.8928 0.0364 0.0364 0.5895 0.5895 0.8245 0.8245 1.0690 1.0690 1.9024 1.9024 2.1370 2.1370 3.1675 3.1675 3.2363 3.2363 3.3471 3.3471 3.4454 3.4454 3.7901 3.7901 4.0353 4.0353 4.3750 4.3750 4.3970 4.3970 4.6732 4.6732 4.7331 4.7331 5.1434 5.1434 5.2775 5.2775 5.4884 5.4884 5.5614 5.5614 5.7925 5.7925 5.9110 5.9110 6.0409 6.0409 6.4111 6.4111 6.6428 6.6428 7.3269 7.3269 7.4727 7.4727 9.0515 9.0515 9.2797 9.2797 9.5589 9.5589 9.6981 9.6981 9.9223 9.9223 k = 0.5263-0.2438-0.0248 ( 6613 PWs) bands (ev): -9.6968 -9.6968 -8.5056 -8.5056 -7.4151 -7.4151 -6.9628 -6.9628 -6.7949 -6.7949 -6.6985 -6.6985 -3.4332 -3.4332 -1.8959 -1.8959 0.0263 0.0263 0.5897 0.5897 0.8281 0.8281 1.0734 1.0734 1.9267 1.9267 2.1261 2.1261 3.1630 3.1630 3.2454 3.2454 3.3286 3.3286 3.4532 3.4532 3.8203 3.8203 4.0137 4.0137 4.3710 4.3710 4.4088 4.4088 4.6608 4.6608 4.7045 4.7045 5.1558 5.1558 5.2771 5.2771 5.4931 5.4931 5.5667 5.5667 5.7899 5.7899 5.9096 5.9096 6.0395 6.0395 6.3962 6.3962 6.6529 6.6529 7.3275 7.3275 7.4772 7.4772 9.0802 9.0802 9.2846 9.2846 9.5809 9.5809 9.7185 9.7185 9.8933 9.8933 k = 0.5175-0.2589-0.0165 ( 6617 PWs) bands (ev): -9.6978 -9.6978 -8.5058 -8.5058 -7.4180 -7.4180 -6.9554 -6.9554 -6.7951 -6.7951 -6.6974 -6.6974 -3.4389 -3.4389 -1.8982 -1.8982 0.0190 0.0190 0.5900 0.5900 0.8306 0.8306 1.0768 1.0768 1.9463 1.9463 2.1165 2.1165 3.1590 3.1590 3.2553 3.2553 3.3111 3.3111 3.4592 3.4592 3.8526 3.8526 3.9888 3.9888 4.3671 4.3671 4.4207 4.4207 4.6519 4.6519 4.6809 4.6809 5.1649 5.1649 5.2770 5.2770 5.4965 5.4965 5.5708 5.5708 5.7878 5.7878 5.9086 5.9086 6.0387 6.0387 6.3852 6.3852 6.6604 6.6604 7.3276 7.3276 7.4805 7.4805 9.1023 9.1023 9.2865 9.2865 9.5972 9.5972 9.7436 9.7436 9.8641 9.8641 k = 0.5088-0.2740-0.0083 ( 6619 PWs) bands (ev): -9.6985 -9.6985 -8.5059 -8.5059 -7.4197 -7.4197 -6.9508 -6.9508 -6.7952 -6.7952 -6.6969 -6.6969 -3.4424 -3.4424 -1.8995 -1.8995 0.0146 0.0146 0.5902 0.5902 0.8321 0.8321 1.0788 1.0788 1.9594 1.9594 2.1095 2.1095 3.1563 3.1563 3.2664 3.2664 3.2951 3.2951 3.4629 3.4629 3.8841 3.8841 3.9622 3.9622 4.3646 4.3646 4.4293 4.4293 4.6473 4.6473 4.6642 4.6642 5.1703 5.1703 5.2769 5.2769 5.4985 5.4985 5.5734 5.5734 5.7864 5.7864 5.9079 5.9079 6.0383 6.0383 6.3784 6.3784 6.6650 6.6650 7.3276 7.3276 7.4825 7.4825 9.1164 9.1164 9.2867 9.2867 9.6072 9.6072 9.7707 9.7707 9.8355 9.8355 k = 0.5000-0.2892 0.0000 ( 6640 PWs) bands (ev): -9.6987 -9.6987 -8.5060 -8.5060 -7.4203 -7.4203 -6.9493 -6.9493 -6.7952 -6.7952 -6.6967 -6.6967 -3.4436 -3.4436 -1.9000 -1.9000 0.0132 0.0132 0.5902 0.5902 0.8326 0.8326 1.0795 1.0795 1.9641 1.9641 2.1068 2.1068 3.1554 3.1554 3.2759 3.2759 3.2839 3.2839 3.4642 3.4642 3.9032 3.9032 3.9449 3.9449 4.3637 4.3637 4.4325 4.4325 4.6465 4.6465 4.6575 4.6575 5.1721 5.1721 5.2769 5.2769 5.4991 5.4991 5.5743 5.5743 5.7860 5.7860 5.9076 5.9076 6.0381 6.0381 6.3761 6.3761 6.6665 6.6665 7.3275 7.3275 7.4832 7.4832 9.1212 9.1212 9.2865 9.2865 9.6106 9.6106 9.7899 9.7899 9.8159 9.8159 k = 0.5000-0.2892 0.0000 ( 6640 PWs) bands (ev): -9.6987 -9.6987 -8.5060 -8.5060 -7.4203 -7.4203 -6.9493 -6.9493 -6.7952 -6.7952 -6.6967 -6.6967 -3.4436 -3.4436 -1.9000 -1.9000 0.0132 0.0132 0.5902 0.5902 0.8326 0.8326 1.0795 1.0795 1.9641 1.9641 2.1068 2.1068 3.1554 3.1554 3.2759 3.2759 3.2839 3.2839 3.4642 3.4642 3.9032 3.9032 3.9449 3.9449 4.3637 4.3637 4.4325 4.4325 4.6465 4.6465 4.6575 4.6575 5.1721 5.1721 5.2769 5.2769 5.4991 5.4991 5.5743 5.5743 5.7860 5.7860 5.9076 5.9076 6.0381 6.0381 6.3761 6.3761 6.6665 6.6665 7.3275 7.3275 7.4832 7.4832 9.1212 9.1212 9.2865 9.2865 9.6106 9.6106 9.7899 9.7899 9.8159 9.8159 k = 0.4833-0.2795 0.0000 ( 6620 PWs) bands (ev): -9.6994 -9.6994 -8.5066 -8.5066 -7.4187 -7.4187 -6.9490 -6.9490 -6.7943 -6.7943 -6.6963 -6.6963 -3.4453 -3.4453 -1.9010 -1.9010 0.0126 0.0126 0.5895 0.5895 0.8283 0.8283 1.0789 1.0789 1.9626 1.9626 2.1137 2.1137 3.1522 3.1522 3.2658 3.2658 3.2968 3.2968 3.4687 3.4687 3.9039 3.9039 3.9459 3.9459 4.3617 4.3617 4.4353 4.4353 4.6337 4.6337 4.6633 4.6633 5.1716 5.1716 5.2795 5.2795 5.4992 5.4992 5.5743 5.5743 5.7861 5.7861 5.9076 5.9076 6.0373 6.0373 6.3765 6.3765 6.6666 6.6666 7.3269 7.3269 7.4798 7.4798 9.1255 9.1255 9.2924 9.2924 9.6106 9.6106 9.7909 9.7909 9.8169 9.8169 k = 0.4667-0.2699-0.0000 ( 6616 PWs) bands (ev): -9.7014 -9.7014 -8.5082 -8.5082 -7.4137 -7.4137 -6.9481 -6.9481 -6.7917 -6.7917 -6.6954 -6.6954 -3.4504 -3.4504 -1.9039 -1.9039 0.0111 0.0111 0.5874 0.5874 0.8156 0.8156 1.0770 1.0770 1.9580 1.9580 2.1338 2.1338 3.1445 3.1445 3.2548 3.2548 3.3158 3.3158 3.4812 3.4812 3.9059 3.9059 3.9490 3.9490 4.3564 4.3564 4.4425 4.4425 4.6094 4.6094 4.6672 4.6672 5.1699 5.1699 5.2869 5.2869 5.4996 5.4996 5.5745 5.5745 5.7864 5.7864 5.9074 5.9074 6.0348 6.0348 6.3777 6.3777 6.6669 6.6669 7.3250 7.3250 7.4698 7.4698 9.1379 9.1379 9.3094 9.3094 9.6109 9.6109 9.7940 9.7940 9.8201 9.8201 k = 0.4500-0.2603-0.0000 ( 6614 PWs) bands (ev): -9.7048 -9.7048 -8.5109 -8.5109 -7.4056 -7.4056 -6.9465 -6.9465 -6.7875 -6.7875 -6.6937 -6.6937 -3.4588 -3.4588 -1.9086 -1.9086 0.0084 0.0084 0.5841 0.5841 0.7957 0.7957 1.0737 1.0737 1.9499 1.9499 2.1656 2.1656 3.1359 3.1359 3.2463 3.2463 3.3363 3.3363 3.4991 3.4991 3.9091 3.9091 3.9540 3.9540 4.3493 4.3493 4.4527 4.4527 4.5775 4.5775 4.6667 4.6667 5.1670 5.1670 5.2984 5.2984 5.5001 5.5001 5.5748 5.5748 5.7869 5.7869 5.9071 5.9071 6.0309 6.0309 6.3798 6.3798 6.6670 6.6670 7.3217 7.3217 7.4541 7.4541 9.1573 9.1573 9.3364 9.3364 9.6114 9.6114 9.7995 9.7995 9.8260 9.8260 k = 0.4333-0.2506 0.0000 ( 6614 PWs) bands (ev): -9.7095 -9.7095 -8.5147 -8.5147 -7.3942 -7.3942 -6.9443 -6.9443 -6.7817 -6.7817 -6.6915 -6.6915 -3.4705 -3.4705 -1.9152 -1.9152 0.0045 0.0045 0.5796 0.5796 0.7704 0.7704 1.0689 1.0689 1.9378 1.9378 2.2068 2.2068 3.1302 3.1302 3.2420 3.2420 3.3565 3.3565 3.5195 3.5195 3.9134 3.9134 3.9609 3.9609 4.3415 4.3415 4.4643 4.4643 4.5399 4.5399 4.6626 4.6626 5.1629 5.1629 5.3131 5.3131 5.5007 5.5007 5.5752 5.5752 5.7875 5.7875 5.9068 5.9068 6.0259 6.0259 6.3830 6.3830 6.6667 6.6667 7.3168 7.3168 7.4337 7.4337 9.1821 9.1821 9.3712 9.3712 9.6126 9.6126 9.8078 9.8078 9.8356 9.8356 k = 0.4167-0.2410-0.0000 ( 6610 PWs) bands (ev): -9.7153 -9.7153 -8.5194 -8.5194 -7.3799 -7.3799 -6.9414 -6.9414 -6.7744 -6.7744 -6.6886 -6.6886 -3.4854 -3.4854 -1.9235 -1.9235 -0.0005 -0.0005 0.5744 0.5744 0.7416 0.7416 1.0624 1.0624 1.9212 1.9212 2.2551 2.2551 3.1297 3.1297 3.2436 3.2436 3.3745 3.3745 3.5405 3.5405 3.9185 3.9185 3.9695 3.9695 4.3334 4.3334 4.4725 4.4725 4.5029 4.5029 4.6556 4.6556 5.1579 5.1579 5.3298 5.3298 5.5016 5.5016 5.5758 5.5758 5.7881 5.7881 5.9064 5.9064 6.0204 6.0204 6.3877 6.3877 6.6657 6.6657 7.3102 7.3102 7.4102 7.4102 9.2098 9.2098 9.4109 9.4109 9.6149 9.6149 9.8197 9.8197 9.8497 9.8497 k = 0.4000-0.2313-0.0000 ( 6614 PWs) bands (ev): -9.7223 -9.7223 -8.5251 -8.5251 -7.3627 -7.3627 -6.9379 -6.9379 -6.7659 -6.7659 -6.6851 -6.6851 -3.5033 -3.5033 -1.9334 -1.9334 -0.0068 -0.0068 0.5686 0.5686 0.7110 0.7110 1.0540 1.0540 1.8996 1.8996 2.3076 2.3076 3.1362 3.1362 3.2525 3.2525 3.3887 3.3887 3.5604 3.5604 3.9241 3.9241 3.9794 3.9794 4.3248 4.3248 4.4448 4.4448 4.5009 4.5009 4.6465 4.6465 5.1521 5.1521 5.3476 5.3476 5.5025 5.5025 5.5765 5.5765 5.7887 5.7887 5.9061 5.9061 6.0149 6.0149 6.3941 6.3941 6.6634 6.6634 7.3016 7.3016 7.3849 7.3849 9.2378 9.2378 9.4517 9.4517 9.6195 9.6195 9.8364 9.8364 9.8691 9.8691 k = 0.3833-0.2217-0.0000 ( 6610 PWs) bands (ev): -9.7302 -9.7302 -8.5315 -8.5315 -7.3427 -7.3427 -6.9336 -6.9336 -6.7562 -6.7562 -6.6812 -6.6812 -3.5242 -3.5242 -1.9447 -1.9447 -0.0145 -0.0145 0.5625 0.5625 0.6804 0.6804 1.0435 1.0435 1.8729 1.8729 2.3620 2.3620 3.1502 3.1502 3.2700 3.2700 3.3982 3.3982 3.5787 3.5787 3.9300 3.9300 3.9905 3.9905 4.3152 4.3152 4.4011 4.4011 4.5161 4.5161 4.6361 4.6361 5.1457 5.1457 5.3657 5.3657 5.5037 5.5037 5.5774 5.5774 5.7892 5.7892 5.9057 5.9057 6.0099 6.0099 6.4022 6.4022 6.6598 6.6598 7.2908 7.2908 7.3592 7.3592 9.2635 9.2635 9.4891 9.4891 9.6279 9.6279 9.8587 9.8587 9.8939 9.8939 k = 0.3667-0.2121 0.0000 ( 6624 PWs) bands (ev): -9.7390 -9.7390 -8.5387 -8.5387 -7.3203 -7.3203 -6.9287 -6.9287 -6.7456 -6.7456 -6.6767 -6.6767 -3.5477 -3.5477 -1.9572 -1.9572 -0.0238 -0.0238 0.5563 0.5563 0.6514 0.6514 1.0307 1.0307 1.8411 1.8411 2.4162 2.4162 3.1709 3.1709 3.2962 3.2962 3.4030 3.4030 3.5947 3.5947 3.9358 3.9358 4.0024 4.0024 4.3034 4.3034 4.3592 4.3592 4.5325 4.5325 4.6265 4.6265 5.1388 5.1388 5.3835 5.3835 5.5048 5.5048 5.5785 5.5785 5.7896 5.7896 5.9055 5.9055 6.0058 6.0058 6.4122 6.4122 6.6546 6.6546 7.2776 7.2776 7.3344 7.3344 9.2848 9.2848 9.5185 9.5185 9.6419 9.6419 9.8868 9.8868 9.9233 9.9233 k = 0.3500-0.2024 0.0000 ( 6622 PWs) bands (ev): -9.7486 -9.7486 -8.5465 -8.5465 -7.2955 -7.2955 -6.9231 -6.9231 -6.7342 -6.7342 -6.6717 -6.6717 -3.5738 -3.5738 -1.9709 -1.9709 -0.0347 -0.0347 0.5502 0.5502 0.6252 0.6252 1.0157 1.0157 1.8047 1.8047 2.4688 2.4688 3.1955 3.1955 3.3292 3.3292 3.4068 3.4068 3.6087 3.6087 3.9412 3.9412 4.0150 4.0150 4.2865 4.2865 4.3249 4.3249 4.5445 4.5445 4.6227 4.6227 5.1316 5.1316 5.4007 5.4007 5.5061 5.5061 5.5798 5.5798 5.7897 5.7897 5.9054 5.9054 6.0032 6.0032 6.4242 6.4242 6.6480 6.6480 7.2619 7.2619 7.3114 7.3114 9.3007 9.3007 9.5380 9.5380 9.6616 9.6616 9.9183 9.9183 9.9561 9.9561 k = 0.3333-0.1928 0.0000 ( 6621 PWs) bands (ev): -9.7587 -9.7587 -8.5548 -8.5548 -7.2687 -7.2687 -6.9168 -6.9168 -6.7222 -6.7222 -6.6664 -6.6664 -3.6021 -3.6021 -1.9855 -1.9855 -0.0472 -0.0472 0.5442 0.5442 0.6028 0.6028 0.9984 0.9984 1.7640 1.7640 2.5192 2.5192 3.2174 3.2174 3.3573 3.3573 3.4251 3.4251 3.6213 3.6213 3.9459 3.9459 4.0280 4.0280 4.2626 4.2626 4.3021 4.3021 4.5441 4.5441 4.6326 4.6326 5.1241 5.1241 5.4170 5.4170 5.5074 5.5074 5.5813 5.5813 5.7896 5.7896 5.9056 5.9056 6.0024 6.0024 6.4379 6.4379 6.6404 6.6404 7.2439 7.2439 7.2904 7.2904 9.3111 9.3111 9.5493 9.5493 9.6844 9.6844 9.9458 9.9458 9.9939 9.9939 k = 0.3167-0.1831-0.0000 ( 6611 PWs) bands (ev): -9.7694 -9.7694 -8.5635 -8.5635 -7.2401 -7.2401 -6.9100 -6.9100 -6.7099 -6.7099 -6.6607 -6.6607 -3.6324 -3.6324 -2.0007 -2.0007 -0.0615 -0.0615 0.5382 0.5382 0.5853 0.5853 0.9791 0.9791 1.7199 1.7199 2.5672 2.5672 3.2248 3.2248 3.3731 3.3731 3.4735 3.4735 3.6341 3.6341 3.9496 3.9496 4.0415 4.0415 4.2374 4.2374 4.2864 4.2864 4.5313 4.5313 4.6559 4.6559 5.1161 5.1161 5.4321 5.4321 5.5088 5.5088 5.5831 5.5831 5.7893 5.7893 5.9060 5.9060 6.0037 6.0037 6.4531 6.4531 6.6321 6.6321 7.2243 7.2243 7.2714 7.2714 9.3165 9.3165 9.5557 9.5557 9.7074 9.7074 9.9614 9.9614 10.0392 10.0392 k = 0.3000-0.1735 0.0000 ( 6609 PWs) bands (ev): -9.7803 -9.7803 -8.5724 -8.5724 -7.2099 -7.2099 -6.9026 -6.9026 -6.6973 -6.6973 -6.6548 -6.6548 -3.6645 -3.6645 -2.0165 -2.0165 -0.0773 -0.0773 0.5324 0.5324 0.5729 0.5729 0.9578 0.9578 1.6731 1.6731 2.6136 2.6136 3.2079 3.2079 3.3943 3.3943 3.5373 3.5373 3.6512 3.6512 3.9520 3.9520 4.0554 4.0554 4.2165 4.2165 4.2735 4.2735 4.5117 4.5117 4.6868 4.6868 5.1076 5.1076 5.4460 5.4460 5.5100 5.5100 5.5851 5.5851 5.7886 5.7886 5.9068 5.9068 6.0072 6.0072 6.4694 6.4694 6.6241 6.6241 7.2040 7.2040 7.2537 7.2537 9.3179 9.3179 9.5595 9.5595 9.7293 9.7293 9.9635 9.9635 10.0891 10.0891 k = 0.2833-0.1639 0.0000 ( 6611 PWs) bands (ev): -9.7915 -9.7915 -8.5816 -8.5816 -7.1785 -7.1785 -6.8946 -6.8946 -6.6846 -6.6846 -6.6486 -6.6486 -3.6980 -3.6980 -2.0325 -2.0325 -0.0945 -0.0945 0.5272 0.5272 0.5653 0.5653 0.9352 0.9352 1.6244 1.6244 2.6589 2.6589 3.1693 3.1693 3.4231 3.4231 3.5963 3.5963 3.6858 3.6858 3.9531 3.9531 4.0697 4.0697 4.2014 4.2014 4.2628 4.2628 4.4886 4.4886 4.7216 4.7216 5.0985 5.0985 5.4585 5.4585 5.5112 5.5112 5.5873 5.5873 5.7876 5.7876 5.9080 5.9080 6.0126 6.0126 6.4864 6.4864 6.6172 6.6172 7.1837 7.1837 7.2371 7.2371 9.3160 9.3160 9.5618 9.5618 9.7499 9.7499 9.9536 9.9536 10.1402 10.1402 k = 0.2667-0.1542-0.0000 ( 6603 PWs) bands (ev): -9.8027 -9.8027 -8.5908 -8.5908 -7.1461 -7.1461 -6.8863 -6.8863 -6.6721 -6.6721 -6.6424 -6.6424 -3.7325 -3.7325 -2.0486 -2.0486 -0.1129 -0.1129 0.5232 0.5232 0.5618 0.5618 0.9116 0.9116 1.5744 1.5744 2.7038 2.7038 3.1163 3.1163 3.4521 3.4521 3.6333 3.6333 3.7527 3.7527 3.9530 3.9530 4.0841 4.0841 4.1922 4.1922 4.2547 4.2547 4.4635 4.4635 4.7583 4.7583 5.0888 5.0888 5.4695 5.4695 5.5123 5.5123 5.5899 5.5899 5.7862 5.7862 5.9096 5.9096 6.0199 6.0199 6.5034 6.5034 6.6123 6.6123 7.1636 7.1636 7.2216 7.2216 9.3113 9.3113 9.5632 9.5632 9.7689 9.7689 9.9333 9.9333 10.1894 10.1894 k = 0.2500-0.1446 0.0000 ( 6611 PWs) bands (ev): -9.8139 -9.8139 -8.6001 -8.6001 -7.1131 -7.1131 -6.8776 -6.8776 -6.6598 -6.6598 -6.6360 -6.6360 -3.7679 -3.7679 -2.0645 -2.0645 -0.1321 -0.1321 0.5211 0.5211 0.5614 0.5614 0.8878 0.8878 1.5241 1.5241 2.7487 2.7487 3.0545 3.0545 3.4745 3.4745 3.6616 3.6616 3.8355 3.8355 3.9538 3.9538 4.0984 4.0984 4.1889 4.1889 4.2501 4.2501 4.4378 4.4378 4.7954 4.7954 5.0789 5.0789 5.4790 5.4790 5.5133 5.5133 5.5926 5.5926 5.7843 5.7843 5.9117 5.9117 6.0284 6.0284 6.5199 6.5199 6.6106 6.6106 7.1440 7.1440 7.2073 7.2073 9.3037 9.3037 9.5641 9.5641 9.7863 9.7863 9.9043 9.9043 10.2345 10.2345 k = 0.2333-0.1350 0.0000 ( 6613 PWs) bands (ev): -9.8249 -9.8249 -8.6092 -8.6092 -7.0797 -7.0797 -6.8686 -6.8686 -6.6479 -6.6479 -6.6297 -6.6297 -3.8036 -3.8036 -2.0802 -2.0802 -0.1517 -0.1517 0.5207 0.5207 0.5635 0.5635 0.8645 0.8645 1.4739 1.4739 2.7930 2.7930 2.9881 2.9881 3.4871 3.4871 3.6928 3.6928 3.9054 3.9054 3.9691 3.9691 4.1124 4.1124 4.1918 4.1918 4.2495 4.2495 4.4138 4.4138 4.8315 4.8315 5.0693 5.0693 5.4867 5.4867 5.5142 5.5142 5.5956 5.5956 5.7821 5.7821 5.9143 5.9143 6.0375 6.0375 6.5352 6.5352 6.6130 6.6130 7.1253 7.1253 7.1945 7.1945 9.2927 9.2927 9.5644 9.5644 9.8010 9.8010 9.8695 9.8695 10.2736 10.2736 k = 0.2167-0.1253-0.0000 ( 6609 PWs) bands (ev): -9.8356 -9.8356 -8.6180 -8.6180 -7.0463 -7.0463 -6.8595 -6.8595 -6.6366 -6.6366 -6.6235 -6.6235 -3.8393 -3.8393 -2.0954 -2.0954 -0.1713 -0.1713 0.5216 0.5216 0.5677 0.5677 0.8426 0.8426 1.4245 1.4245 2.8305 2.8305 2.9258 2.9258 3.4900 3.4900 3.7270 3.7270 3.9250 3.9250 4.0262 4.0262 4.1257 4.1257 4.2024 4.2024 4.2536 4.2536 4.3961 4.3961 4.8648 4.8648 5.0614 5.0614 5.4928 5.4928 5.5151 5.5151 5.5989 5.5989 5.7794 5.7794 5.9175 5.9175 6.0464 6.0464 6.5487 6.5487 6.6203 6.6203 7.1077 7.1077 7.1836 7.1836 9.2773 9.2773 9.5640 9.5640 9.8060 9.8060 9.8381 9.8381 10.3055 10.3055 k = 0.2000-0.1157-0.0000 ( 6611 PWs) bands (ev): -9.8460 -9.8460 -8.6266 -8.6266 -7.0132 -7.0132 -6.8503 -6.8503 -6.6260 -6.6260 -6.6175 -6.6175 -3.8747 -3.8747 -2.1099 -2.1099 -0.1906 -0.1906 0.5231 0.5231 0.5733 0.5733 0.8233 0.8233 1.3766 1.3766 2.8153 2.8153 2.9155 2.9155 3.4855 3.4855 3.7603 3.7603 3.9283 3.9283 4.0803 4.0803 4.1380 4.1380 4.2193 4.2193 4.2613 4.2613 4.3970 4.3970 4.8929 4.8929 5.0573 5.0573 5.4972 5.4972 5.5160 5.5160 5.6024 5.6024 5.7763 5.7763 5.9214 5.9214 6.0543 6.0543 6.5599 6.5599 6.6328 6.6328 7.0917 7.0917 7.1748 7.1748 9.2555 9.2555 9.5626 9.5626 9.7789 9.7789 9.8354 9.8354 10.3292 10.3292 k = 0.1833-0.1060 0.0000 ( 6607 PWs) bands (ev): -9.8558 -9.8558 -8.6348 -8.6348 -6.9808 -6.9808 -6.8412 -6.8412 -6.6162 -6.6162 -6.6115 -6.6115 -3.9093 -3.9093 -2.1236 -2.1236 -0.2093 -0.2093 0.5243 0.5243 0.5798 0.5798 0.8077 0.8077 1.3305 1.3305 2.7496 2.7496 2.9564 2.9564 3.4759 3.4759 3.7868 3.7868 3.9351 3.9351 4.1084 4.1084 4.1494 4.1494 4.2326 4.2326 4.2688 4.2688 4.4340 4.4340 4.9130 4.9130 5.0600 5.0600 5.5001 5.5001 5.5168 5.5168 5.6060 5.6060 5.7729 5.7729 5.9260 5.9260 6.0606 6.0606 6.5687 6.5687 6.6501 6.6501 7.0783 7.0783 7.1683 7.1683 9.2256 9.2256 9.5600 9.5600 9.7428 9.7428 9.8413 9.8413 10.3446 10.3446 k = 0.1667-0.0964-0.0000 ( 6605 PWs) bands (ev): -9.8651 -9.8651 -8.6425 -8.6425 -6.9493 -6.9493 -6.8323 -6.8323 -6.6081 -6.6081 -6.6052 -6.6052 -3.9428 -3.9428 -2.1365 -2.1365 -0.2270 -0.2270 0.5246 0.5246 0.5864 0.5864 0.7971 0.7971 1.2868 1.2868 2.6776 2.6776 3.0056 3.0056 3.4630 3.4630 3.8023 3.8023 3.9504 3.9504 4.1146 4.1146 4.1593 4.1593 4.2357 4.2357 4.2782 4.2782 4.5030 4.5030 4.9238 4.9238 5.0715 5.0715 5.5016 5.5016 5.5175 5.5175 5.6096 5.6096 5.7692 5.7692 5.9315 5.9315 6.0651 6.0651 6.5753 6.5753 6.6706 6.6706 7.0683 7.0683 7.1640 7.1640 9.1860 9.1860 9.5556 9.5556 9.7118 9.7118 9.8442 9.8442 10.3524 10.3524 k = 0.1500-0.0868 0.0000 ( 6599 PWs) bands (ev): -9.8737 -9.8737 -8.6497 -8.6497 -6.9192 -6.9192 -6.8236 -6.8236 -6.6024 -6.6024 -6.5977 -6.5977 -3.9746 -3.9746 -2.1483 -2.1483 -0.2436 -0.2436 0.5234 0.5234 0.5925 0.5925 0.7922 0.7922 1.2459 1.2459 2.6061 2.6061 3.0570 3.0570 3.4481 3.4481 3.8073 3.8073 3.9725 3.9725 4.1050 4.1050 4.1672 4.1672 4.2365 4.2365 4.2922 4.2922 4.5836 4.5836 4.9281 4.9281 5.0904 5.0904 5.5021 5.5021 5.5178 5.5178 5.6132 5.6132 5.7652 5.7652 5.9378 5.9378 6.0676 6.0676 6.5799 6.5799 6.6924 6.6924 7.0632 7.0632 7.1620 7.1620 9.1367 9.1367 9.5489 9.5489 9.6889 9.6889 9.8425 9.8425 10.3543 10.3543 k = 0.1333-0.0771 0.0000 ( 6601 PWs) bands (ev): -9.8816 -9.8816 -8.6562 -8.6562 -6.8909 -6.8909 -6.8154 -6.8154 -6.5978 -6.5978 -6.5904 -6.5904 -4.0045 -4.0045 -2.1591 -2.1591 -0.2588 -0.2588 0.5201 0.5201 0.5979 0.5979 0.7933 0.7933 1.2083 1.2083 2.5372 2.5372 3.1092 3.1092 3.4322 3.4322 3.8057 3.8057 3.9941 3.9941 4.0866 4.0866 4.1740 4.1740 4.2412 4.2412 4.3089 4.3089 4.6606 4.6606 4.9329 4.9329 5.1132 5.1132 5.5019 5.5019 5.5177 5.5177 5.6165 5.6165 5.7610 5.7610 5.9451 5.9451 6.0685 6.0685 6.5830 6.5830 6.7129 6.7129 7.0641 7.0641 7.1622 7.1622 9.0793 9.0793 9.5394 9.5394 9.6746 9.6746 9.8359 9.8359 10.3525 10.3525 k = 0.1167-0.0675-0.0000 ( 6605 PWs) bands (ev): -9.8887 -9.8887 -8.6622 -8.6622 -6.8646 -6.8646 -6.8078 -6.8078 -6.5939 -6.5939 -6.5840 -6.5840 -4.0320 -4.0320 -2.1687 -2.1687 -0.2725 -0.2725 0.5148 0.5148 0.6027 0.6027 0.7995 0.7995 1.1743 1.1743 2.4724 2.4724 3.1614 3.1614 3.4166 3.4166 3.8011 3.8011 4.0013 4.0013 4.0741 4.0741 4.1805 4.1805 4.2489 4.2489 4.3269 4.3269 4.7219 4.7219 4.9475 4.9475 5.1372 5.1372 5.5011 5.5011 5.5171 5.5171 5.6196 5.6196 5.7569 5.7569 5.9531 5.9531 6.0681 6.0681 6.5850 6.5850 6.7298 6.7298 7.0713 7.0713 7.1647 7.1647 9.0169 9.0169 9.5264 9.5264 9.6678 9.6678 9.8250 9.8250 10.3492 10.3492 k = 0.1000-0.0578-0.0000 ( 6617 PWs) bands (ev): -9.8950 -9.8950 -8.6674 -8.6674 -6.8408 -6.8408 -6.8009 -6.8009 -6.5907 -6.5907 -6.5784 -6.5784 -4.0568 -4.0568 -2.1771 -2.1771 -0.2845 -0.2845 0.5080 0.5080 0.6071 0.6071 0.8094 0.8094 1.1443 1.1443 2.4128 2.4128 3.2125 3.2125 3.4021 3.4021 3.7955 3.7955 3.9814 3.9814 4.0815 4.0815 4.1870 4.1870 4.2578 4.2578 4.3451 4.3451 4.7580 4.7580 4.9796 4.9796 5.1605 5.1605 5.4997 5.4997 5.5159 5.5159 5.6223 5.6223 5.7527 5.7527 5.9618 5.9618 6.0670 6.0670 6.5863 6.5863 6.7416 6.7416 7.0836 7.0836 7.1703 7.1703 8.9530 8.9530 9.5096 9.5096 9.6665 9.6665 9.8114 9.8114 10.3460 10.3460 k = 0.0833-0.0482 0.0000 ( 6623 PWs) bands (ev): -9.9004 -9.9004 -8.6719 -8.6719 -6.8198 -6.8198 -6.7947 -6.7947 -6.5881 -6.5881 -6.5737 -6.5737 -4.0784 -4.0784 -2.1842 -2.1842 -0.2949 -0.2949 0.5005 0.5005 0.6112 0.6112 0.8212 0.8212 1.1187 1.1187 2.3596 2.3596 3.2609 3.2609 3.3905 3.3905 3.7898 3.7898 3.9474 3.9474 4.0971 4.0971 4.1937 4.1937 4.2669 4.2669 4.3626 4.3626 4.7713 4.7713 5.0255 5.0255 5.1825 5.1825 5.4980 5.4980 5.5144 5.5144 5.6246 5.6246 5.7488 5.7488 5.9706 5.9706 6.0655 6.0655 6.5874 6.5874 6.7484 6.7484 7.0973 7.0973 7.1801 7.1801 8.8915 8.8915 9.4895 9.4895 9.6689 9.6689 9.7972 9.7972 10.3440 10.3440 k = 0.0667-0.0386-0.0000 ( 6617 PWs) bands (ev): -9.9048 -9.9048 -8.6757 -8.6757 -6.8020 -6.8020 -6.7894 -6.7894 -6.5861 -6.5861 -6.5700 -6.5700 -4.0966 -4.0966 -2.1901 -2.1901 -0.3034 -0.3034 0.4932 0.4932 0.6150 0.6150 0.8331 0.8331 1.0977 1.0977 2.3140 2.3140 3.3024 3.3024 3.3849 3.3849 3.7847 3.7847 3.9099 3.9099 4.1118 4.1118 4.2004 4.2004 4.2752 4.2752 4.3785 4.3785 4.7720 4.7720 5.0738 5.0738 5.2027 5.2027 5.4960 5.4960 5.5127 5.5127 5.6265 5.6265 5.7453 5.7453 5.9792 5.9792 6.0643 6.0643 6.5886 6.5886 6.7513 6.7513 7.1085 7.1085 7.1948 7.1948 8.8357 8.8357 9.4674 9.4674 9.6733 9.6733 9.7845 9.7845 10.3432 10.3432 k = 0.0500-0.0289-0.0000 ( 6617 PWs) bands (ev): -9.9083 -9.9083 -8.6786 -8.6786 -6.7882 -6.7882 -6.7848 -6.7848 -6.5846 -6.5846 -6.5670 -6.5670 -4.1111 -4.1111 -2.1947 -2.1947 -0.3101 -0.3101 0.4867 0.4867 0.6183 0.6183 0.8438 0.8438 1.0815 1.0815 2.2770 2.2770 3.3277 3.3277 3.3934 3.3934 3.7803 3.7803 3.8737 3.8737 4.1231 4.1231 4.2068 4.2068 4.2822 4.2822 4.3919 4.3919 4.7677 4.7677 5.1153 5.1153 5.2208 5.2208 5.4937 5.4937 5.5109 5.5109 5.6280 5.6280 5.7423 5.7423 5.9867 5.9867 6.0633 6.0633 6.5898 6.5898 6.7517 6.7517 7.1155 7.1155 7.2125 7.2125 8.7887 8.7887 9.4456 9.4456 9.6781 9.6781 9.7744 9.7744 10.3434 10.3434 k = 0.0333-0.0193-0.0000 ( 6619 PWs) bands (ev): -9.9108 -9.9108 -8.6807 -8.6807 -6.7827 -6.7827 -6.7767 -6.7767 -6.5837 -6.5837 -6.5650 -6.5650 -4.1216 -4.1216 -2.1979 -2.1979 -0.3149 -0.3149 0.4818 0.4818 0.6208 0.6208 0.8521 0.8521 1.0701 1.0701 2.2498 2.2498 3.3341 3.3341 3.4162 3.4162 3.7766 3.7766 3.8427 3.8427 4.1308 4.1308 4.2120 4.2120 4.2875 4.2875 4.4021 4.4021 4.7627 4.7627 5.1455 5.1455 5.2363 5.2363 5.4914 5.4914 5.5094 5.5094 5.6290 5.6290 5.7401 5.7401 5.9925 5.9925 6.0629 6.0629 6.5910 6.5910 6.7511 6.7511 7.1191 7.1191 7.2289 7.2289 8.7532 8.7532 9.4271 9.4271 9.6822 9.6822 9.7674 9.7674 10.3440 10.3440 k = 0.0167-0.0096-0.0000 ( 6613 PWs) bands (ev): -9.9124 -9.9124 -8.6820 -8.6820 -6.7807 -6.7807 -6.7704 -6.7704 -6.5832 -6.5832 -6.5638 -6.5638 -4.1280 -4.1280 -2.1999 -2.1999 -0.3178 -0.3178 0.4786 0.4786 0.6224 0.6224 0.8573 0.8573 1.0634 1.0634 2.2330 2.2330 3.3339 3.3339 3.4370 3.4370 3.7737 3.7737 3.8215 3.8215 4.1353 4.1353 4.2155 4.2155 4.2909 4.2909 4.4085 4.4085 4.7590 4.7590 5.1631 5.1631 5.2474 5.2474 5.4896 5.4896 5.5084 5.5084 5.6297 5.6297 5.7386 5.7386 5.9962 5.9962 6.0628 6.0628 6.5919 6.5919 6.7504 6.7504 7.1207 7.1207 7.2405 7.2405 8.7310 8.7310 9.4146 9.4146 9.6849 9.6849 9.7634 9.7634 10.3446 10.3446 k = 0.0000 0.0000 0.0000 ( 6603 PWs) bands (ev): -9.9129 -9.9129 -8.6824 -8.6824 -6.7801 -6.7801 -6.7683 -6.7683 -6.5830 -6.5830 -6.5633 -6.5633 -4.1301 -4.1301 -2.2006 -2.2006 -0.3188 -0.3188 0.4775 0.4775 0.6230 0.6230 0.8591 0.8591 1.0612 1.0612 2.2274 2.2274 3.3334 3.3334 3.4451 3.4451 3.7724 3.7724 3.8140 3.8140 4.1367 4.1367 4.2168 4.2168 4.2921 4.2921 4.4107 4.4107 4.7576 4.7576 5.1688 5.1688 5.2515 5.2515 5.4890 5.4890 5.5081 5.5081 5.6299 5.6299 5.7382 5.7382 5.9974 5.9974 6.0629 6.0629 6.5922 6.5922 6.7501 6.7501 7.1212 7.1212 7.2446 7.2446 8.7235 8.7235 9.4102 9.4102 9.6859 9.6859 9.7621 9.7621 10.3448 10.3448 k = 0.0000 0.0000 0.0000 ( 6603 PWs) bands (ev): -9.9129 -9.9129 -8.6824 -8.6824 -6.7801 -6.7801 -6.7683 -6.7683 -6.5830 -6.5830 -6.5633 -6.5633 -4.1301 -4.1301 -2.2006 -2.2006 -0.3188 -0.3188 0.4775 0.4775 0.6230 0.6230 0.8591 0.8591 1.0612 1.0612 2.2274 2.2274 3.3334 3.3334 3.4451 3.4451 3.7724 3.7724 3.8140 3.8140 4.1367 4.1367 4.2168 4.2168 4.2921 4.2921 4.4107 4.4107 4.7576 4.7576 5.1688 5.1688 5.2515 5.2515 5.4890 5.4890 5.5081 5.5081 5.6299 5.6299 5.7382 5.7382 5.9974 5.9974 6.0629 6.0629 6.5922 6.5922 6.7501 6.7501 7.1212 7.1212 7.2446 7.2446 8.7235 8.7235 9.4102 9.4102 9.6859 9.6859 9.7621 9.7621 10.3448 10.3448 k = 0.0161 0.0093-0.0051 ( 6614 PWs) bands (ev): -9.9124 -9.9124 -8.6821 -8.6821 -6.7816 -6.7816 -6.7689 -6.7689 -6.5835 -6.5835 -6.5639 -6.5639 -4.1280 -4.1280 -2.2000 -2.2000 -0.3178 -0.3178 0.4782 0.4782 0.6237 0.6237 0.8602 0.8602 1.0595 1.0595 2.2331 2.2331 3.3335 3.3335 3.4377 3.4377 3.7780 3.7780 3.8173 3.8173 4.1354 4.1354 4.2158 4.2158 4.2906 4.2906 4.4082 4.4082 4.7578 4.7578 5.1646 5.1646 5.2467 5.2467 5.4896 5.4896 5.5085 5.5085 5.6298 5.6298 5.7386 5.7386 5.9975 5.9975 6.0612 6.0612 6.5923 6.5923 6.7491 6.7491 7.1187 7.1187 7.2422 7.2422 8.7310 8.7310 9.4154 9.4154 9.6877 9.6877 9.7622 9.7622 10.3432 10.3432 k = 0.0323 0.0186-0.0101 ( 6619 PWs) bands (ev): -9.9109 -9.9109 -8.6810 -8.6810 -6.7863 -6.7863 -6.7707 -6.7707 -6.5850 -6.5850 -6.5654 -6.5654 -4.1219 -4.1219 -2.1983 -2.1983 -0.3147 -0.3147 0.4800 0.4800 0.6260 0.6260 0.8630 0.8630 1.0551 1.0551 2.2499 2.2499 3.3330 3.3330 3.4185 3.4185 3.7884 3.7884 3.8311 3.8311 4.1313 4.1313 4.2129 4.2129 4.2862 4.2862 4.4010 4.4010 4.7581 4.7581 5.1512 5.1512 5.2333 5.2333 5.4913 5.4913 5.5097 5.5097 5.6295 5.6295 5.7400 5.7400 5.9977 5.9977 6.0565 6.0565 6.5928 6.5928 6.7460 6.7460 7.1111 7.1111 7.2359 7.2359 8.7531 8.7531 9.4301 9.4301 9.6927 9.6927 9.7631 9.7631 10.3388 10.3388 k = 0.0484 0.0278-0.0152 ( 6621 PWs) bands (ev): -9.9084 -9.9084 -8.6793 -8.6793 -6.7946 -6.7946 -6.7731 -6.7731 -6.5874 -6.5874 -6.5680 -6.5680 -4.1117 -4.1117 -2.1955 -2.1955 -0.3097 -0.3097 0.4828 0.4828 0.6299 0.6299 0.8668 0.8668 1.0495 1.0495 2.2772 2.2772 3.3275 3.3275 3.3967 3.3967 3.7947 3.7947 3.8594 3.8594 4.1240 4.1240 4.2085 4.2085 4.2794 4.2794 4.3893 4.3893 4.7581 4.7581 5.1271 5.1271 5.2145 5.2145 5.4937 5.4937 5.5116 5.5116 5.6291 5.6291 5.7421 5.7421 5.9976 5.9976 6.0500 6.0500 6.5935 6.5935 6.7412 6.7412 7.0977 7.0977 7.2271 7.2271 8.7888 8.7888 9.4525 9.4525 9.6997 9.6997 9.7666 9.7666 10.3323 10.3323 k = 0.0645 0.0371-0.0203 ( 6619 PWs) bands (ev): -9.9050 -9.9050 -8.6768 -8.6768 -6.8064 -6.8064 -6.7760 -6.7760 -6.5909 -6.5909 -6.5715 -6.5715 -4.0977 -4.0977 -2.1916 -2.1916 -0.3027 -0.3027 0.4865 0.4865 0.6354 0.6354 0.8697 0.8697 1.0453 1.0453 2.3139 2.3139 3.3082 3.3082 3.3849 3.3849 3.7977 3.7977 3.8968 3.8968 4.1131 4.1131 4.2029 4.2029 4.2705 4.2705 4.3736 4.3736 4.7568 4.7568 5.0913 5.0913 5.1931 5.1931 5.4963 5.4963 5.5138 5.5138 5.6285 5.6285 5.7450 5.7450 5.9962 5.9962 6.0436 6.0436 6.5945 6.5945 6.7346 6.7346 7.0784 7.0784 7.2174 7.2174 8.8362 8.8362 9.4799 9.4799 9.7059 9.7059 9.7761 9.7761 10.3247 10.3247 k = 0.0806 0.0464-0.0253 ( 6622 PWs) bands (ev): -9.9007 -9.9007 -8.6737 -8.6737 -6.8214 -6.8214 -6.7794 -6.7794 -6.5954 -6.5954 -6.5759 -6.5759 -4.0801 -4.0801 -2.1866 -2.1866 -0.2937 -0.2937 0.4908 0.4908 0.6428 0.6428 0.8694 0.8694 1.0456 1.0456 2.3590 2.3590 3.2748 3.2748 3.3860 3.3860 3.7995 3.7995 3.9373 3.9373 4.0987 4.0987 4.1968 4.1968 4.2600 4.2600 4.3544 4.3544 4.7525 4.7525 5.0454 5.0454 5.1705 5.1705 5.4989 5.4989 5.5160 5.5160 5.6276 5.6276 5.7484 5.7484 5.9924 5.9924 6.0390 6.0390 6.5953 6.5953 6.7267 6.7267 7.0538 7.0538 7.2080 7.2080 8.8930 8.8930 9.5089 9.5089 9.7086 9.7086 9.7950 9.7950 10.3171 10.3171 k = 0.0968 0.0557-0.0304 ( 6615 PWs) bands (ev): -9.8954 -9.8954 -8.6699 -8.6699 -6.8395 -6.8395 -6.7833 -6.7833 -6.6010 -6.6010 -6.5811 -6.5811 -4.0590 -4.0590 -2.1805 -2.1805 -0.2828 -0.2828 0.4956 0.4956 0.6520 0.6520 0.8643 0.8643 1.0533 1.0533 2.4111 2.4111 3.2351 3.2351 3.3940 3.3940 3.8006 3.8006 3.9750 3.9750 4.0834 4.0834 4.1905 4.1905 4.2482 4.2482 4.3328 4.3328 4.7417 4.7417 4.9945 4.9945 5.1467 5.1467 5.5014 5.5014 5.5180 5.5180 5.6264 5.6264 5.7522 5.7522 5.9862 5.9862 6.0373 6.0373 6.5960 6.5960 6.7175 6.7175 7.0258 7.0258 7.1990 7.1990 8.9566 8.9566 9.5369 9.5369 9.7078 9.7078 9.8230 9.8230 10.3109 10.3109 k = 0.1129 0.0650-0.0355 ( 6616 PWs) bands (ev): -9.8893 -9.8893 -8.6656 -8.6656 -6.8602 -6.8602 -6.7877 -6.7877 -6.6076 -6.6076 -6.5871 -6.5871 -4.0348 -4.0348 -2.1734 -2.1734 -0.2701 -0.2701 0.5005 0.5005 0.6628 0.6628 0.8544 0.8544 1.0695 1.0695 2.4689 2.4689 3.1933 3.1933 3.4054 3.4054 3.8013 3.8013 3.9958 3.9958 4.0786 4.0786 4.1842 4.1842 4.2355 4.2355 4.3100 4.3100 4.7189 4.7189 4.9464 4.9464 5.1215 5.1215 5.5039 5.5039 5.5195 5.5195 5.6249 5.6249 5.7563 5.7563 5.9786 5.9786 6.0377 6.0377 6.5959 6.5959 6.7073 6.7073 6.9968 6.9968 7.1903 7.1903 9.0243 9.0243 9.5621 9.5621 9.7051 9.7051 9.8573 9.8573 10.3071 10.3071 k = 0.1290 0.0742-0.0405 ( 6616 PWs) bands (ev): -9.8823 -9.8823 -8.6606 -8.6606 -6.8833 -6.8833 -6.7926 -6.7926 -6.6154 -6.6154 -6.5936 -6.5936 -4.0078 -4.0078 -2.1654 -2.1654 -0.2556 -0.2556 0.5054 0.5054 0.6746 0.6746 0.8415 0.8415 1.0935 1.0935 2.5310 2.5310 3.1514 3.1514 3.4187 3.4187 3.8015 3.8015 3.9838 3.9838 4.0979 4.0979 4.1778 4.1778 4.2222 4.2222 4.2874 4.2874 4.6778 4.6778 4.9097 4.9097 5.0948 5.0948 5.5062 5.5062 5.5206 5.5206 5.6231 5.6231 5.7605 5.7605 5.9709 5.9709 6.0391 6.0391 6.5949 6.5949 6.6964 6.6964 6.9690 6.9690 7.1817 7.1817 9.0930 9.0930 9.5833 9.5833 9.7018 9.7018 9.8946 9.8946 10.3066 10.3066 k = 0.1452 0.0835-0.0456 ( 6614 PWs) bands (ev): -9.8745 -9.8745 -8.6551 -8.6551 -6.9084 -6.9084 -6.7979 -6.7979 -6.6242 -6.6242 -6.6006 -6.6006 -3.9783 -3.9783 -2.1563 -2.1563 -0.2395 -0.2395 0.5104 0.5104 0.6864 0.6864 0.8285 0.8285 1.1240 1.1240 2.5959 2.5959 3.1108 3.1108 3.4333 3.4333 3.8007 3.8007 3.9526 3.9526 4.1222 4.1222 4.1717 4.1717 4.2109 4.2109 4.2672 4.2672 4.6188 4.6188 4.8868 4.8868 5.0671 5.0671 5.5082 5.5082 5.5211 5.5211 5.6208 5.6208 5.7648 5.7648 5.9639 5.9639 6.0405 6.0405 6.5927 6.5927 6.6848 6.6848 6.9443 6.9443 7.1730 7.1730 9.1600 9.1600 9.5999 9.5999 9.6992 9.6992 9.9326 9.9326 10.3096 10.3096 k = 0.1613 0.0928-0.0507 ( 6613 PWs) bands (ev): -9.8661 -9.8661 -8.6491 -8.6491 -6.9353 -6.9353 -6.8035 -6.8035 -6.6341 -6.6341 -6.6081 -6.6081 -3.9466 -3.9466 -2.1465 -2.1465 -0.2219 -0.2219 0.5154 0.5154 0.6963 0.6963 0.8189 0.8189 1.1597 1.1597 2.6617 2.6617 3.0728 3.0728 3.4483 3.4483 3.7982 3.7982 3.9140 3.9140 4.1287 4.1287 4.1660 4.1660 4.2075 4.2075 4.2517 4.2517 4.5514 4.5514 4.8733 4.8733 5.0395 5.0395 5.5099 5.5099 5.5211 5.5211 5.6183 5.6183 5.7690 5.7690 5.9580 5.9580 6.0411 6.0411 6.5894 6.5894 6.6729 6.6729 6.9240 6.9240 7.1642 7.1642 9.2227 9.2227 9.6111 9.6111 9.6980 9.6980 9.9699 9.9699 10.3157 10.3157 k = 0.1774 0.1021-0.0557 ( 6605 PWs) bands (ev): -9.8569 -9.8569 -8.6426 -8.6426 -6.9636 -6.9636 -6.8094 -6.8094 -6.6449 -6.6449 -6.6158 -6.6158 -3.9132 -3.9132 -2.1358 -2.1358 -0.2030 -0.2030 0.5205 0.5205 0.7017 0.7017 0.8161 0.8161 1.1995 1.1995 2.7253 2.7253 3.0397 3.0397 3.4632 3.4632 3.7919 3.7919 3.8735 3.8735 4.1141 4.1141 4.1551 4.1551 4.2071 4.2071 4.2441 4.2441 4.4905 4.4905 4.8630 4.8630 5.0134 5.0134 5.5110 5.5110 5.5205 5.5205 5.6154 5.6154 5.7732 5.7732 5.9534 5.9534 6.0406 6.0406 6.5852 6.5852 6.6605 6.6605 6.9090 6.9090 7.1553 7.1553 9.2791 9.2791 9.6161 9.6161 9.6987 9.6987 10.0067 10.0067 10.3237 10.3237 k = 0.1935 0.1114-0.0608 ( 6610 PWs) bands (ev): -9.8472 -9.8472 -8.6357 -8.6357 -6.9930 -6.9930 -6.8155 -6.8155 -6.6566 -6.6566 -6.6238 -6.6238 -3.8783 -3.8783 -2.1245 -2.1245 -0.1829 -0.1829 0.5258 0.5258 0.7013 0.7013 0.8223 0.8223 1.2427 1.2427 2.7803 2.7803 3.0169 3.0169 3.4770 3.4770 3.7755 3.7755 3.8389 3.8389 4.0886 4.0886 4.1331 4.1331 4.1980 4.1980 4.2370 4.2370 4.4547 4.4547 4.8508 4.8508 4.9915 4.9915 5.5112 5.5112 5.5197 5.5197 5.6122 5.6122 5.7773 5.7773 5.9499 5.9499 6.0385 6.0385 6.5808 6.5808 6.6477 6.6477 6.8997 6.8997 7.1466 7.1466 9.3277 9.3277 9.6151 9.6151 9.7007 9.7007 10.0432 10.0432 10.3324 10.3324 k = 0.2097 0.1206-0.0659 ( 6615 PWs) bands (ev): -9.8370 -9.8370 -8.6285 -8.6285 -7.0232 -7.0232 -6.8218 -6.8218 -6.6690 -6.6690 -6.6320 -6.6320 -3.8424 -3.8424 -2.1126 -2.1126 -0.1619 -0.1619 0.5314 0.5314 0.6966 0.6966 0.8362 0.8362 1.2886 1.2886 2.8147 2.8147 3.0153 3.0153 3.4888 3.4888 3.7421 3.7421 3.8183 3.8183 4.0528 4.0528 4.0951 4.0951 4.1873 4.1873 4.2235 4.2235 4.4525 4.4525 4.8331 4.8331 4.9763 4.9763 5.5100 5.5100 5.5190 5.5190 5.6089 5.6089 5.7812 5.7812 5.9474 5.9474 6.0350 6.0350 6.5762 6.5762 6.6349 6.6349 6.8960 6.8960 7.1380 7.1380 9.3681 9.3681 9.6095 9.6095 9.7026 9.7026 10.0792 10.0792 10.3408 10.3408 k = 0.2258 0.1299-0.0709 ( 6611 PWs) bands (ev): -9.8264 -9.8264 -8.6211 -8.6211 -7.0539 -7.0539 -6.8281 -6.8281 -6.6820 -6.6820 -6.6403 -6.6403 -3.8058 -3.8058 -2.1002 -2.1002 -0.1403 -0.1403 0.5374 0.5374 0.6907 0.6907 0.8552 0.8552 1.3365 1.3365 2.8185 2.8185 3.0433 3.0433 3.4967 3.4967 3.6992 3.6992 3.8055 3.8055 3.9938 3.9938 4.0572 4.0572 4.1799 4.1799 4.2107 4.2107 4.4715 4.4715 4.8086 4.8086 4.9688 4.9688 5.5070 5.5070 5.5186 5.5186 5.6055 5.6055 5.7851 5.7851 5.9457 5.9457 6.0301 6.0301 6.5711 6.5711 6.6232 6.6232 6.8976 6.8976 7.1297 7.1297 9.4001 9.4001 9.6004 9.6004 9.7034 9.7034 10.1130 10.1130 10.3485 10.3485 k = 0.2419 0.1392-0.0760 ( 6613 PWs) bands (ev): -9.8154 -9.8154 -8.6134 -8.6134 -7.0847 -7.0847 -6.8344 -6.8344 -6.6954 -6.6954 -6.6487 -6.6487 -3.7689 -3.7689 -2.0875 -2.0875 -0.1185 -0.1185 0.5441 0.5441 0.6857 0.6857 0.8771 0.8771 1.3857 1.3857 2.7999 2.7999 3.0910 3.0910 3.4976 3.4976 3.6569 3.6569 3.7921 3.7921 3.9166 3.9166 4.0292 4.0292 4.1755 4.1755 4.2017 4.2017 4.4988 4.4988 4.7788 4.7788 4.9680 4.9680 5.5023 5.5023 5.5182 5.5182 5.6022 5.6022 5.7890 5.7890 5.9446 5.9446 6.0245 6.0245 6.5636 6.5636 6.6147 6.6147 6.9041 6.9041 7.1218 7.1218 9.4241 9.4241 9.5892 9.5892 9.7027 9.7027 10.1419 10.1419 10.3550 10.3550 k = 0.2581 0.1485-0.0811 ( 6618 PWs) bands (ev): -9.8042 -9.8042 -8.6056 -8.6056 -7.1155 -7.1155 -6.8407 -6.8407 -6.7091 -6.7091 -6.6570 -6.6570 -3.7321 -3.7321 -2.0746 -2.0746 -0.0967 -0.0967 0.5516 0.5516 0.6832 0.6832 0.9003 0.9003 1.4356 1.4356 2.7708 2.7708 3.1441 3.1441 3.4870 3.4870 3.6223 3.6223 3.7688 3.7688 3.8432 3.8432 4.0066 4.0066 4.1717 4.1717 4.1981 4.1981 4.5277 4.5277 4.7464 4.7464 4.9719 4.9719 5.4960 5.4960 5.5175 5.5175 5.5991 5.5991 5.7928 5.7928 5.9437 5.9437 6.0185 6.0185 6.5523 6.5523 6.6107 6.6107 6.9152 6.9152 7.1143 7.1143 9.4403 9.4403 9.5767 9.5767 9.7009 9.7009 10.1632 10.1632 10.3595 10.3595 k = 0.2742 0.1578-0.0861 ( 6620 PWs) bands (ev): -9.7929 -9.7929 -8.5977 -8.5977 -7.1458 -7.1458 -6.8468 -6.8468 -6.7229 -6.7229 -6.6653 -6.6653 -3.6957 -3.6957 -2.0616 -2.0616 -0.0754 -0.0754 0.5601 0.5601 0.6838 0.6838 0.9241 0.9241 1.4856 1.4856 2.7365 2.7365 3.1940 3.1940 3.4628 3.4628 3.5971 3.5971 3.7188 3.7188 3.7996 3.7996 3.9878 3.9878 4.1662 4.1662 4.2017 4.2017 4.5540 4.5540 4.7146 4.7146 4.9791 4.9791 5.4882 5.4882 5.5164 5.5164 5.5963 5.5963 5.7966 5.7966 5.9429 5.9429 6.0129 6.0129 6.5377 6.5377 6.6108 6.6108 6.9304 6.9304 7.1073 7.1073 9.4484 9.4484 9.5638 9.5638 9.6987 9.6987 10.1756 10.1756 10.3596 10.3596 k = 0.2903 0.1670-0.0912 ( 6615 PWs) bands (ev): -9.7815 -9.7815 -8.5899 -8.5899 -7.1755 -7.1755 -6.8528 -6.8528 -6.7367 -6.7367 -6.6734 -6.6734 -3.6600 -3.6600 -2.0487 -2.0487 -0.0549 -0.0549 0.5699 0.5699 0.6880 0.6880 0.9476 0.9476 1.5350 1.5350 2.6985 2.6985 3.2342 3.2342 3.4316 3.4316 3.5693 3.5693 3.6630 3.6630 3.7780 3.7780 3.9719 3.9719 4.1592 4.1592 4.2130 4.2130 4.5727 4.5727 4.6882 4.6882 4.9888 4.9888 5.4791 5.4791 5.5147 5.5147 5.5939 5.5939 5.8003 5.8003 5.9420 5.9420 6.0081 6.0081 6.5215 6.5215 6.6132 6.6132 6.9495 6.9495 7.1007 7.1007 9.4484 9.4484 9.5510 9.5510 9.6969 9.6969 10.1795 10.1795 10.3514 10.3514 k = 0.3065 0.1763-0.0963 ( 6616 PWs) bands (ev): -9.7703 -9.7703 -8.5821 -8.5821 -7.2042 -7.2042 -6.8585 -6.8585 -6.7503 -6.7503 -6.6813 -6.6813 -3.6255 -3.6255 -2.0361 -2.0361 -0.0357 -0.0357 0.5813 0.5813 0.6959 0.6959 0.9704 0.9704 1.5830 1.5830 2.6572 2.6572 3.2569 3.2569 3.4050 3.4050 3.5220 3.5220 3.6331 3.6331 3.7613 3.7613 3.9580 3.9580 4.1516 4.1516 4.2315 4.2315 4.5758 4.5758 4.6758 4.6758 5.0004 5.0004 5.4687 5.4687 5.5125 5.5125 5.5919 5.5919 5.8039 5.8039 5.9410 5.9410 6.0046 6.0046 6.5050 6.5050 6.6164 6.6164 6.9721 6.9721 7.0946 7.0946 9.4403 9.4403 9.5385 9.5385 9.6961 9.6961 10.1764 10.1764 10.3311 10.3311 k = 0.3226 0.1856-0.1013 ( 6611 PWs) bands (ev): -9.7594 -9.7594 -8.5746 -8.5746 -7.2317 -7.2317 -6.8639 -6.8639 -6.7636 -6.7636 -6.6889 -6.6889 -3.5923 -3.5923 -2.0238 -2.0238 -0.0181 -0.0181 0.5944 0.5944 0.7074 0.7074 0.9920 0.9920 1.6289 1.6289 2.6123 2.6123 3.2543 3.2543 3.3923 3.3923 3.4668 3.4668 3.6217 3.6217 3.7462 3.7462 3.9451 3.9451 4.1441 4.1441 4.2570 4.2570 4.5605 4.5605 4.6807 4.6807 5.0132 5.0132 5.4571 5.4571 5.5097 5.5097 5.5903 5.5903 5.8073 5.8073 5.9399 5.9399 6.0023 6.0023 6.4891 6.4891 6.6195 6.6195 6.9975 6.9975 7.0891 7.0891 9.4246 9.4246 9.5262 9.5262 9.6964 9.6964 10.1682 10.1682 10.2978 10.2978 k = 0.3387 0.1949-0.1064 ( 6613 PWs) bands (ev): -9.7488 -9.7488 -8.5674 -8.5674 -7.2578 -7.2578 -6.8690 -6.8690 -6.7764 -6.7764 -6.6960 -6.6960 -3.5609 -3.5609 -2.0121 -2.0121 -0.0022 -0.0022 0.6090 0.6090 0.7223 0.7223 1.0122 1.0122 1.6720 1.6720 2.5634 2.5634 3.2322 3.2322 3.3817 3.3817 3.4257 3.4257 3.6159 3.6159 3.7320 3.7320 3.9324 3.9324 4.1371 4.1371 4.2887 4.2887 4.5364 4.5364 4.6939 4.6939 5.0269 5.0269 5.4444 5.4444 5.5063 5.5063 5.5891 5.5891 5.8104 5.8104 5.9392 5.9392 6.0011 6.0011 6.4743 6.4743 6.6219 6.6219 7.0243 7.0243 7.0850 7.0850 9.4024 9.4024 9.5140 9.5140 9.6977 9.6977 10.1562 10.1562 10.2545 10.2545 k = 0.3548 0.2041-0.1115 ( 6618 PWs) bands (ev): -9.7387 -9.7387 -8.5605 -8.5605 -7.2821 -7.2821 -6.8737 -6.8737 -6.7885 -6.7885 -6.7028 -6.7028 -3.5315 -3.5315 -2.0011 -2.0011 0.0117 0.0117 0.6249 0.6249 0.7405 0.7405 1.0308 1.0308 1.7114 1.7114 2.5108 2.5108 3.2034 3.2034 3.3511 3.3511 3.4148 3.4148 3.6112 3.6112 3.7185 3.7185 3.9193 3.9193 4.1310 4.1310 4.3253 4.3253 4.5118 4.5118 4.7084 4.7084 5.0409 5.0409 5.4310 5.4310 5.5026 5.5026 5.5882 5.5882 5.8132 5.8132 5.9389 5.9389 6.0007 6.0007 6.4612 6.4612 6.6233 6.6233 7.0478 7.0478 7.0864 7.0864 9.3748 9.3748 9.5019 9.5019 9.6990 9.6990 10.1411 10.1411 10.2068 10.2068 k = 0.3710 0.2134-0.1165 ( 6625 PWs) bands (ev): -9.7292 -9.7292 -8.5541 -8.5541 -7.3046 -7.3046 -6.8780 -6.8780 -6.7999 -6.7999 -6.7090 -6.7090 -3.5044 -3.5044 -1.9908 -1.9908 0.0237 0.0237 0.6414 0.6414 0.7617 0.7617 1.0475 1.0475 1.7466 1.7466 2.4551 2.4551 3.1758 3.1758 3.3189 3.3189 3.4118 3.4118 3.6061 3.6061 3.7049 3.7049 3.9058 3.9058 4.1262 4.1262 4.3634 4.3634 4.4913 4.4913 4.7216 4.7216 5.0546 5.0546 5.4171 5.4171 5.4985 5.4985 5.5876 5.5876 5.8155 5.8155 5.9394 5.9394 6.0010 6.0010 6.4499 6.4499 6.6237 6.6237 7.0565 7.0565 7.1038 7.1038 9.3432 9.3432 9.4901 9.4901 9.6997 9.6997 10.1207 10.1207 10.1630 10.1630 k = 0.3871 0.2227-0.1216 ( 6626 PWs) bands (ev): -9.7205 -9.7205 -8.5482 -8.5482 -7.3249 -7.3249 -6.8818 -6.8818 -6.8103 -6.8103 -6.7146 -6.7146 -3.4798 -3.4798 -1.9815 -1.9815 0.0339 0.0339 0.6580 0.6580 0.7852 0.7852 1.0623 1.0623 1.7770 1.7770 2.3977 2.3977 3.1525 3.1525 3.2945 3.2945 3.4062 3.4062 3.6003 3.6003 3.6909 3.6909 3.8921 3.8921 4.1228 4.1228 4.3944 4.3944 4.4833 4.4833 4.7327 4.7327 5.0676 5.0676 5.4030 5.4030 5.4943 5.4943 5.5872 5.5872 5.8174 5.8174 5.9406 5.9406 6.0017 6.0017 6.4407 6.4407 6.6233 6.6233 7.0541 7.0541 7.1325 7.1325 9.3092 9.3092 9.4785 9.4785 9.6988 9.6988 10.0901 10.0901 10.1329 10.1329 k = 0.4032 0.2320-0.1267 ( 6629 PWs) bands (ev): -9.7127 -9.7127 -8.5429 -8.5429 -7.3430 -7.3430 -6.8852 -6.8852 -6.8196 -6.8196 -6.7196 -6.7196 -3.4580 -3.4580 -1.9732 -1.9732 0.0422 0.0422 0.6739 0.6739 0.8103 0.8103 1.0752 1.0752 1.8026 1.8026 2.3405 2.3405 3.1350 3.1350 3.2786 3.2786 3.3974 3.3974 3.5938 3.5938 3.6757 3.6757 3.8787 3.8787 4.1210 4.1210 4.4038 4.4038 4.5009 4.5009 4.7410 4.7410 5.0791 5.0791 5.3892 5.3892 5.4901 5.4901 5.5870 5.5870 5.8188 5.8188 5.9426 5.9426 6.0024 6.0024 6.4336 6.4336 6.6223 6.6223 7.0488 7.0488 7.1632 7.1632 9.2743 9.2743 9.4673 9.4673 9.6960 9.6960 10.0554 10.0554 10.1141 10.1141 k = 0.4194 0.2413-0.1317 ( 6623 PWs) bands (ev): -9.7058 -9.7058 -8.5384 -8.5384 -7.3585 -7.3585 -6.8880 -6.8880 -6.8278 -6.8278 -6.7239 -6.7239 -3.4392 -3.4392 -1.9660 -1.9660 0.0489 0.0489 0.6885 0.6885 0.8359 0.8359 1.0862 1.0862 1.8232 1.8232 2.2857 2.2857 3.1234 3.1234 3.2704 3.2704 3.3859 3.3859 3.5872 3.5872 3.6593 3.6593 3.8665 3.8665 4.1204 4.1204 4.3966 4.3966 4.5375 4.5375 4.7464 4.7464 5.0888 5.0888 5.3764 5.3764 5.4862 5.4862 5.5869 5.5869 5.8198 5.8198 5.9450 5.9450 6.0032 6.0032 6.4285 6.4285 6.6208 6.6208 7.0430 7.0430 7.1928 7.1928 9.2405 9.2405 9.4565 9.4565 9.6912 9.6912 10.0256 10.0256 10.0996 10.0996 k = 0.4355 0.2505-0.1368 ( 6625 PWs) bands (ev): -9.7001 -9.7001 -8.5345 -8.5345 -7.3715 -7.3715 -6.8904 -6.8904 -6.8346 -6.8346 -6.7275 -6.7275 -3.4236 -3.4236 -1.9601 -1.9601 0.0542 0.0542 0.7012 0.7012 0.8602 0.8602 1.0953 1.0953 1.8391 1.8391 2.2358 2.2358 3.1169 3.1169 3.2686 3.2686 3.3726 3.3726 3.5813 3.5813 3.6421 3.6421 3.8561 3.8561 4.1208 4.1208 4.3858 4.3858 4.5785 4.5785 4.7483 4.7483 5.0963 5.0963 5.3648 5.3648 5.4826 5.4826 5.5869 5.5869 5.8205 5.8205 5.9477 5.9477 6.0038 6.0038 6.4250 6.4250 6.6192 6.6192 7.0372 7.0372 7.2195 7.2195 9.2095 9.2095 9.4464 9.4464 9.6852 9.6852 10.0033 10.0033 10.0874 10.0874 k = 0.4516 0.2598-0.1419 ( 6627 PWs) bands (ev): -9.6955 -9.6955 -8.5315 -8.5315 -7.3817 -7.3817 -6.8922 -6.8922 -6.8401 -6.8401 -6.7303 -6.7303 -3.4113 -3.4113 -1.9553 -1.9553 0.0582 0.0582 0.7116 0.7116 0.8818 0.8818 1.1025 1.1025 1.8507 1.8507 2.1932 2.1932 3.1144 3.1144 3.2718 3.2718 3.3584 3.3584 3.5770 3.5770 3.6248 3.6248 3.8478 3.8478 4.1217 4.1217 4.3760 4.3760 4.6178 4.6178 4.7464 4.7464 5.1016 5.1016 5.3553 5.3553 5.4796 5.4796 5.5869 5.5869 5.8208 5.8208 5.9502 5.9502 6.0043 6.0043 6.4229 6.4229 6.6177 6.6177 7.0320 7.0320 7.2420 7.2420 9.1831 9.1831 9.4375 9.4375 9.6790 9.6790 9.9881 9.9881 10.0774 10.0774 k = 0.4677 0.2691-0.1469 ( 6636 PWs) bands (ev): -9.6922 -9.6922 -8.5293 -8.5293 -7.3891 -7.3891 -6.8935 -6.8935 -6.8440 -6.8440 -6.7323 -6.7323 -3.4024 -3.4024 -1.9519 -1.9519 0.0609 0.0609 0.7194 0.7194 0.8988 0.8988 1.1077 1.1077 1.8587 1.8587 2.1606 2.1606 3.1144 3.1144 3.2783 3.2783 3.3444 3.3444 3.5753 3.5753 3.6089 3.6089 3.8420 3.8420 4.1227 4.1227 4.3685 4.3685 4.6528 4.6528 4.7402 4.7402 5.1049 5.1049 5.3482 5.3482 5.4773 5.4773 5.5870 5.5870 5.8210 5.8210 5.9522 5.9522 6.0046 6.0046 6.4217 6.4217 6.6165 6.6165 7.0279 7.0279 7.2590 7.2590 9.1630 9.1630 9.4305 9.4305 9.6737 9.6737 9.9787 9.9787 10.0699 10.0699 k = 0.4839 0.2784-0.1520 ( 6631 PWs) bands (ev): -9.6902 -9.6902 -8.5279 -8.5279 -7.3935 -7.3935 -6.8943 -6.8943 -6.8464 -6.8464 -6.7335 -6.7335 -3.3970 -3.3970 -1.9499 -1.9499 0.0625 0.0625 0.7241 0.7241 0.9096 0.9096 1.1110 1.1110 1.8633 1.8633 2.1399 2.1399 3.1152 3.1152 3.2860 3.2860 3.3324 3.3324 3.5766 3.5766 3.5960 3.5960 3.8385 3.8385 4.1234 4.1234 4.3639 4.3639 4.6814 4.6814 4.7297 4.7297 5.1066 5.1066 5.3438 5.3438 5.4759 5.4759 5.5870 5.5870 5.8211 5.8211 5.9535 5.9535 6.0048 6.0048 6.4212 6.4212 6.6157 6.6157 7.0253 7.0253 7.2696 7.2696 9.1503 9.1503 9.4259 9.4259 9.6702 9.6702 9.9738 9.9738 10.0651 10.0651 k = 0.5000 0.2877-0.1571 ( 6624 PWs) bands (ev): -9.6895 -9.6895 -8.5275 -8.5275 -7.3950 -7.3950 -6.8946 -6.8946 -6.8472 -6.8472 -6.7340 -6.7340 -3.3952 -3.3952 -1.9492 -1.9492 0.0630 0.0630 0.7257 0.7257 0.9134 0.9134 1.1121 1.1121 1.8648 1.8648 2.1328 2.1328 3.1157 3.1157 3.2900 3.2900 3.3270 3.3270 3.5790 3.5790 3.5896 3.5896 3.8373 3.8373 4.1237 4.1237 4.3623 4.3623 4.6966 4.6966 4.7207 4.7207 5.1071 5.1071 5.3423 5.3423 5.4754 5.4754 5.5870 5.5870 5.8212 5.8212 5.9540 5.9540 6.0049 6.0049 6.4211 6.4211 6.6154 6.6154 7.0244 7.0244 7.2732 7.2732 9.1460 9.1460 9.4243 9.4243 9.6690 9.6690 9.9723 9.9723 10.0635 10.0635 k = 0.5000 0.2877 0.3106 ( 6612 PWs) bands (ev): -9.6314 -9.6314 -8.6274 -8.6274 -7.3300 -7.3300 -6.9477 -6.9477 -6.9251 -6.9251 -6.6653 -6.6653 -3.3675 -3.3675 -1.8597 -1.8597 0.1548 0.1548 0.5470 0.5470 0.9654 0.9654 1.1561 1.1561 1.8104 1.8104 2.2013 2.2013 3.0273 3.0273 3.0471 3.0471 3.2599 3.2599 3.5493 3.5493 3.8092 3.8092 4.1111 4.1111 4.2184 4.2184 4.3236 4.3236 4.6462 4.6462 4.7235 4.7235 4.9754 4.9754 5.2819 5.2819 5.4406 5.4406 5.5921 5.5921 5.8222 5.8222 5.9678 5.9678 5.9886 5.9886 6.3825 6.3825 6.5938 6.5938 7.2995 7.2995 7.4276 7.4276 9.1724 9.1724 9.2712 9.2712 9.6391 9.6391 9.8253 9.8253 10.0684 10.0684 k = 0.4853 0.2792 0.3014 ( 6607 PWs) bands (ev): -9.6321 -9.6321 -8.6275 -8.6275 -7.3288 -7.3288 -6.9474 -6.9474 -6.9242 -6.9242 -6.6651 -6.6651 -3.3691 -3.3691 -1.8605 -1.8605 0.1541 0.1541 0.5460 0.5460 0.9613 0.9613 1.1557 1.1557 1.8100 1.8100 2.2081 2.2081 3.0157 3.0157 3.0589 3.0589 3.2606 3.2606 3.5512 3.5512 3.8085 3.8085 4.1121 4.1121 4.2173 4.2173 4.3254 4.3254 4.6380 4.6380 4.7263 4.7263 4.9759 4.9759 5.2840 5.2840 5.4411 5.4411 5.5921 5.5921 5.8225 5.8225 5.9671 5.9671 5.9894 5.9894 6.3833 6.3833 6.5940 6.5940 7.2958 7.2958 7.4265 7.4265 9.1772 9.1772 9.2727 9.2727 9.6397 9.6397 9.8265 9.8265 10.0681 10.0681 k = 0.4706 0.2707 0.2923 ( 6597 PWs) bands (ev): -9.6343 -9.6343 -8.6278 -8.6278 -7.3254 -7.3254 -6.9466 -6.9466 -6.9218 -6.9218 -6.6645 -6.6645 -3.3741 -3.3741 -1.8627 -1.8627 0.1521 0.1521 0.5432 0.5432 0.9492 0.9492 1.1547 1.1547 1.8085 1.8085 2.2282 2.2282 2.9991 2.9991 3.0763 3.0763 3.2626 3.2626 3.5566 3.5566 3.8066 3.8066 4.1151 4.1151 4.2144 4.2144 4.3305 4.3305 4.6168 4.6168 4.7318 4.7318 4.9771 4.9771 5.2902 5.2902 5.4426 5.4426 5.5922 5.5922 5.8234 5.8234 5.9650 5.9650 5.9915 5.9915 6.3859 6.3859 6.5943 6.5943 7.2848 7.2848 7.4235 7.4235 9.1912 9.1912 9.2771 9.2771 9.6413 9.6413 9.8298 9.8298 10.0672 10.0672 k = 0.4559 0.2623 0.2831 ( 6597 PWs) bands (ev): -9.6379 -9.6379 -8.6283 -8.6283 -7.3196 -7.3196 -6.9452 -6.9452 -6.9178 -6.9178 -6.6635 -6.6635 -3.3822 -3.3822 -1.8664 -1.8664 0.1488 0.1488 0.5386 0.5386 0.9301 0.9301 1.1528 1.1528 1.8056 1.8056 2.2605 2.2605 2.9841 2.9841 3.0933 3.0933 3.2664 3.2664 3.5646 3.5646 3.8034 3.8034 4.1196 4.1196 4.2104 4.2104 4.3381 4.3381 4.5876 4.5876 4.7360 4.7360 4.9788 4.9788 5.3000 5.3000 5.4450 5.4450 5.5923 5.5923 5.8248 5.8248 5.9619 5.9619 5.9943 5.9943 6.3901 6.3901 6.5950 6.5950 7.2668 7.2668 7.4188 7.4188 9.2133 9.2133 9.2842 9.2842 9.6439 9.6439 9.8350 9.8350 10.0665 10.0665 k = 0.4412 0.2538 0.2740 ( 6603 PWs) bands (ev): -9.6428 -9.6428 -8.6290 -8.6290 -7.3116 -7.3116 -6.9431 -6.9431 -6.9124 -6.9124 -6.6621 -6.6621 -3.3935 -3.3935 -1.8715 -1.8715 0.1441 0.1441 0.5326 0.5326 0.9055 0.9055 1.1500 1.1500 1.8008 1.8008 2.3032 2.3032 2.9725 2.9725 3.1093 3.1093 3.2721 3.2721 3.5743 3.5743 3.7992 3.7992 4.1253 4.1253 4.2065 4.2065 4.3474 4.3474 4.5539 4.5539 4.7372 4.7372 4.9805 4.9805 5.3128 5.3128 5.4484 5.4484 5.5925 5.5925 5.8267 5.8267 5.9582 5.9582 5.9976 5.9976 6.3962 6.3962 6.5962 6.5962 7.2422 7.2422 7.4126 7.4126 9.2415 9.2415 9.2947 9.2947 9.6473 9.6473 9.8413 9.8413 10.0674 10.0674 k = 0.4265 0.2454 0.2649 ( 6611 PWs) bands (ev): -9.6490 -9.6490 -8.6300 -8.6300 -7.3015 -7.3015 -6.9404 -6.9404 -6.9055 -6.9055 -6.6603 -6.6603 -3.4078 -3.4078 -1.8780 -1.8780 0.1380 0.1380 0.5253 0.5253 0.8770 0.8770 1.1459 1.1459 1.7934 1.7934 2.3543 2.3543 2.9655 2.9655 3.1248 3.1248 3.2795 3.2795 3.5844 3.5844 3.7942 3.7942 4.1315 4.1315 4.2033 4.2033 4.3577 4.3577 4.5180 4.5180 4.7354 4.7354 4.9820 4.9820 5.3278 5.3278 5.4525 5.4525 5.5928 5.5928 5.8291 5.8291 5.9540 5.9540 6.0012 6.0012 6.4040 6.4040 6.5979 6.5979 7.2122 7.2122 7.4051 7.4051 9.2703 9.2703 9.3120 9.3120 9.6514 9.6514 9.8472 9.8472 10.0717 10.0717 k = 0.4118 0.2369 0.2557 ( 6614 PWs) bands (ev): -9.6565 -9.6565 -8.6311 -8.6311 -7.2893 -7.2893 -6.9370 -6.9370 -6.8974 -6.8974 -6.6581 -6.6581 -3.4250 -3.4250 -1.8858 -1.8858 0.1306 0.1306 0.5171 0.5171 0.8462 0.8462 1.1405 1.1405 1.7827 1.7827 2.4119 2.4119 2.9642 2.9642 3.1410 3.1410 3.2876 3.2876 3.5938 3.5938 3.7887 3.7887 4.1376 4.1376 4.2015 4.2015 4.3680 4.3680 4.4825 4.4825 4.7305 4.7305 4.9832 4.9832 5.3442 5.3442 5.4574 5.4574 5.5932 5.5932 5.8319 5.8319 5.9495 5.9495 6.0049 6.0049 6.4136 6.4136 6.6005 6.6005 7.1777 7.1777 7.3963 7.3963 9.2907 9.2907 9.3428 9.3428 9.6560 9.6560 9.8509 9.8509 10.0819 10.0819 k = 0.3971 0.2284 0.2466 ( 6615 PWs) bands (ev): -9.6650 -9.6650 -8.6324 -8.6324 -7.2752 -7.2752 -6.9330 -6.9330 -6.8880 -6.8880 -6.6555 -6.6555 -3.4449 -3.4449 -1.8949 -1.8949 0.1217 0.1217 0.5084 0.5084 0.8145 0.8145 1.1334 1.1334 1.7682 1.7682 2.4738 2.4738 2.9691 2.9691 3.1595 3.1595 3.2955 3.2955 3.6020 3.6020 3.7827 3.7827 4.1426 4.1426 4.2012 4.2012 4.3751 4.3751 4.4520 4.4520 4.7230 4.7230 4.9841 4.9841 5.3613 5.3613 5.4630 5.4630 5.5939 5.5939 5.8350 5.8350 5.9448 5.9448 6.0086 6.0086 6.4248 6.4248 6.6041 6.6041 7.1399 7.1399 7.3863 7.3863 9.3033 9.3033 9.3845 9.3845 9.6613 9.6613 9.8502 9.8502 10.0999 10.0999 k = 0.3824 0.2200 0.2375 ( 6612 PWs) bands (ev): -9.6745 -9.6745 -8.6339 -8.6339 -7.2592 -7.2592 -6.9284 -6.9284 -6.8774 -6.8774 -6.6527 -6.6527 -3.4675 -3.4675 -1.9053 -1.9053 0.1113 0.1113 0.4995 0.4995 0.7833 0.7833 1.1244 1.1244 1.7493 1.7493 2.5377 2.5377 2.9809 2.9809 3.1817 3.1817 3.3021 3.3021 3.6082 3.6082 3.7768 3.7768 4.1460 4.1460 4.2021 4.2021 4.3703 4.3703 4.4372 4.4372 4.7133 4.7133 4.9848 4.9848 5.3784 5.3784 5.4691 5.4691 5.5949 5.5949 5.8382 5.8382 5.9402 5.9402 6.0121 6.0121 6.4375 6.4375 6.6089 6.6089 7.1002 7.1002 7.3750 7.3750 9.3125 9.3125 9.4302 9.4302 9.6674 9.6674 9.8444 9.8444 10.1264 10.1264 k = 0.3676 0.2115 0.2283 ( 6612 PWs) bands (ev): -9.6849 -9.6849 -8.6356 -8.6356 -7.2415 -7.2415 -6.9231 -6.9231 -6.8659 -6.8659 -6.6495 -6.6495 -3.4923 -3.4923 -1.9168 -1.9168 0.0992 0.0992 0.4907 0.4907 0.7538 0.7538 1.1133 1.1133 1.7260 1.7260 2.6014 2.6014 2.9997 2.9997 3.2085 3.2085 3.3067 3.3067 3.6124 3.6124 3.7714 3.7714 4.1475 4.1475 4.2037 4.2037 4.3499 4.3499 4.4428 4.4428 4.7019 4.7019 4.9854 4.9854 5.3951 5.3951 5.4757 5.4757 5.5962 5.5962 5.8412 5.8412 5.9361 5.9361 6.0154 6.0154 6.4514 6.4514 6.6151 6.6151 7.0596 7.0596 7.3626 7.3626 9.3200 9.3200 9.4759 9.4759 9.6747 9.6747 9.8341 9.8341 10.1601 10.1601 k = 0.3529 0.2031 0.2192 ( 6612 PWs) bands (ev): -9.6961 -9.6961 -8.6375 -8.6375 -7.2223 -7.2223 -6.9173 -6.9173 -6.8533 -6.8533 -6.6460 -6.6460 -3.5194 -3.5194 -1.9292 -1.9292 0.0853 0.0853 0.4823 0.4823 0.7268 0.7268 1.1002 1.1002 1.6982 1.6982 2.6628 2.6628 3.0252 3.0252 3.2388 3.2388 3.3106 3.3106 3.6147 3.6147 3.7675 3.7675 4.1469 4.1469 4.2049 4.2049 4.3257 4.3257 4.4577 4.4577 4.6900 4.6900 4.9860 4.9860 5.4111 5.4111 5.4824 5.4824 5.5978 5.5978 5.8437 5.8437 5.9330 5.9330 6.0183 6.0183 6.4661 6.4661 6.6229 6.6229 7.0192 7.0192 7.3489 7.3489 9.3263 9.3263 9.5183 9.5183 9.6836 9.6836 9.8215 9.8215 10.1986 10.1986 k = 0.3382 0.1946 0.2101 ( 6612 PWs) bands (ev): -9.7079 -9.7079 -8.6396 -8.6396 -7.2018 -7.2018 -6.9111 -6.9111 -6.8400 -6.8400 -6.6423 -6.6423 -3.5483 -3.5483 -1.9427 -1.9427 0.0696 0.0696 0.4745 0.4745 0.7032 0.7032 1.0849 1.0849 1.6664 1.6664 2.7197 2.7197 3.0569 3.0569 3.2629 3.2629 3.3237 3.3237 3.6151 3.6151 3.7661 3.7661 4.1442 4.1442 4.2047 4.2047 4.3048 4.3048 4.4749 4.4749 4.6790 4.6790 4.9867 4.9867 5.4260 5.4260 5.4892 5.4892 5.5999 5.5999 5.8450 5.8450 5.9315 5.9315 6.0207 6.0207 6.4812 6.4812 6.6323 6.6323 6.9798 6.9798 7.3344 7.3344 9.3317 9.3317 9.5537 9.5537 9.6934 9.6934 9.8107 9.8107 10.2393 10.2393 k = 0.3235 0.1861 0.2009 ( 6606 PWs) bands (ev): -9.7201 -9.7201 -8.6418 -8.6418 -7.1800 -7.1800 -6.9043 -6.9043 -6.8258 -6.8258 -6.6383 -6.6383 -3.5789 -3.5789 -1.9569 -1.9569 0.0521 0.0521 0.4676 0.4676 0.6835 0.6835 1.0676 1.0676 1.6309 1.6309 2.7704 2.7704 3.0933 3.0933 3.2660 3.2660 3.3610 3.3610 3.6136 3.6136 3.7690 3.7690 4.1394 4.1394 4.2020 4.2020 4.2898 4.2898 4.4898 4.4898 4.6718 4.6718 4.9876 4.9876 5.4396 5.4396 5.4959 5.4959 5.6024 5.6024 5.8448 5.8448 5.9321 5.9321 6.0227 6.0227 6.4963 6.4963 6.6434 6.6434 6.9425 6.9425 7.3191 7.3191 9.3363 9.3363 9.5795 9.5795 9.7000 9.7000 9.8085 9.8085 10.2793 10.2793 k = 0.3088 0.1777 0.1918 ( 6610 PWs) bands (ev): -9.7328 -9.7328 -8.6441 -8.6441 -7.1572 -7.1572 -6.8972 -6.8972 -6.8111 -6.8111 -6.6341 -6.6341 -3.6109 -3.6109 -1.9717 -1.9717 0.0327 0.0327 0.4616 0.4616 0.6680 0.6680 1.0485 1.0485 1.5923 1.5923 2.8137 2.8137 3.1310 3.1310 3.2582 3.2582 3.4142 3.4142 3.6105 3.6105 3.7780 3.7780 4.1328 4.1328 4.1966 4.1966 4.2815 4.2815 4.4978 4.4978 4.6724 4.6724 4.9885 4.9885 5.4520 5.4520 5.5022 5.5022 5.6054 5.6054 5.8427 5.8427 5.9350 5.9350 6.0241 6.0241 6.5109 6.5109 6.6559 6.6559 6.9080 6.9080 7.3035 7.3035 9.3402 9.3402 9.5950 9.5950 9.6972 9.6972 9.8214 9.8214 10.3164 10.3164 k = 0.2941 0.1692 0.1827 ( 6605 PWs) bands (ev): -9.7457 -9.7457 -8.6465 -8.6465 -7.1335 -7.1335 -6.8897 -6.8897 -6.7959 -6.7959 -6.6298 -6.6298 -3.6441 -3.6441 -1.9871 -1.9871 0.0118 0.0118 0.4567 0.4567 0.6569 0.6569 1.0278 1.0278 1.5514 1.5514 2.8483 2.8483 3.1595 3.1595 3.2577 3.2577 3.4731 3.4731 3.6068 3.6068 3.7948 3.7948 4.1244 4.1244 4.1896 4.1896 4.2789 4.2789 4.4955 4.4955 4.6835 4.6835 4.9897 4.9897 5.4631 5.4631 5.5080 5.5080 5.6089 5.6089 5.8389 5.8389 5.9399 5.9399 6.0252 6.0252 6.5248 6.5248 6.6695 6.6695 6.8772 6.8772 7.2877 7.2877 9.3432 9.3432 9.6019 9.6019 9.6857 9.6857 9.8466 9.8466 10.3490 10.3490 k = 0.2794 0.1608 0.1735 ( 6606 PWs) bands (ev): -9.7587 -9.7587 -8.6490 -8.6490 -7.1092 -7.1092 -6.8819 -6.8819 -6.7803 -6.7803 -6.6253 -6.6253 -3.6780 -3.6780 -2.0028 -2.0028 -0.0105 -0.0105 0.4530 0.4530 0.6501 0.6501 1.0058 1.0058 1.5085 1.5085 2.8728 2.8728 3.1630 3.1630 3.2837 3.2837 3.5275 3.5275 3.6078 3.6078 3.8209 3.8209 4.1143 4.1143 4.1830 4.1830 4.2801 4.2801 4.4834 4.4834 4.7044 4.7044 4.9910 4.9910 5.4729 5.4729 5.5131 5.5131 5.6126 5.6126 5.8338 5.8338 5.9462 5.9462 6.0262 6.0262 6.5377 6.5377 6.6836 6.6836 6.8508 6.8508 7.2723 7.2723 9.3450 9.3450 9.6019 9.6019 9.6712 9.6712 9.8767 9.8767 10.3753 10.3753 k = 0.2647 0.1523 0.1644 ( 6605 PWs) bands (ev): -9.7717 -9.7717 -8.6516 -8.6516 -7.0844 -7.0844 -6.8739 -6.8739 -6.7645 -6.7645 -6.6208 -6.6208 -3.7126 -3.7126 -2.0188 -2.0188 -0.0339 -0.0339 0.4503 0.4503 0.6472 0.6472 0.9831 0.9831 1.4645 1.4645 2.8845 2.8845 3.1515 3.1515 3.3299 3.3299 3.5560 3.5560 3.6314 3.6314 3.8570 3.8570 4.1036 4.1036 4.1783 4.1783 4.2837 4.2837 4.4649 4.4649 4.7320 4.7320 4.9925 4.9925 5.4814 5.4814 5.5175 5.5175 5.6166 5.6166 5.8277 5.8277 5.9530 5.9530 6.0272 6.0272 6.5492 6.5492 6.6978 6.6978 6.8297 6.8297 7.2575 7.2575 9.3448 9.3448 9.5962 9.5962 9.6576 9.6576 9.9060 9.9060 10.3940 10.3940 k = 0.2500 0.1438 0.1553 ( 6607 PWs) bands (ev): -9.7846 -9.7846 -8.6542 -8.6542 -7.0593 -7.0593 -6.8658 -6.8658 -6.7486 -6.7486 -6.6162 -6.6162 -3.7475 -3.7475 -2.0348 -2.0348 -0.0580 -0.0580 0.4488 0.4488 0.6480 0.6480 0.9600 0.9600 1.4199 1.4199 2.8804 2.8804 3.1420 3.1420 3.3828 3.3828 3.5578 3.5578 3.6762 3.6762 3.9011 3.9011 4.0946 4.0946 4.1759 4.1759 4.2887 4.2887 4.4433 4.4433 4.7629 4.7629 4.9944 4.9944 5.4886 5.4886 5.5212 5.5212 5.6206 5.6206 5.8211 5.8211 5.9594 5.9594 6.0287 6.0287 6.5594 6.5594 6.7114 6.7114 6.8145 6.8145 7.2439 7.2439 9.3415 9.3415 9.5865 9.5865 9.6462 9.6462 9.9311 9.9311 10.4040 10.4040 k = 0.2353 0.1354 0.1461 ( 6606 PWs) bands (ev): -9.7973 -9.7973 -8.6568 -8.6568 -7.0341 -7.0341 -6.8576 -6.8576 -6.7327 -6.7327 -6.6115 -6.6115 -3.7824 -3.7824 -2.0508 -2.0508 -0.0825 -0.0825 0.4484 0.4484 0.6516 0.6516 0.9374 0.9374 1.3752 1.3752 2.8593 2.8593 3.1414 3.1414 3.4341 3.4341 3.5562 3.5562 3.7214 3.7214 3.9447 3.9447 4.0934 4.0934 4.1760 4.1760 4.2951 4.2951 4.4223 4.4223 4.7950 4.7950 4.9970 4.9970 5.4947 5.4947 5.5241 5.5241 5.6245 5.6245 5.8142 5.8142 5.9645 5.9645 6.0309 6.0309 6.5679 6.5679 6.7239 6.7239 6.8059 6.8059 7.2318 7.2318 9.3339 9.3339 9.5752 9.5752 9.6369 9.6369 9.9498 9.9498 10.4058 10.4058 k = 0.2206 0.1269 0.1370 ( 6611 PWs) bands (ev): -9.8097 -9.8097 -8.6594 -8.6594 -7.0091 -7.0091 -6.8493 -6.8493 -6.7171 -6.7171 -6.6069 -6.6069 -3.8170 -3.8170 -2.0665 -2.0665 -0.1069 -0.1069 0.4490 0.4490 0.6573 0.6573 0.9158 0.9158 1.3310 1.3310 2.8239 2.8239 3.1498 3.1498 3.4709 3.4709 3.5683 3.5683 3.7623 3.7623 3.9717 3.9717 4.1084 4.1084 4.1783 4.1783 4.3045 4.3045 4.4058 4.4058 4.8264 4.8264 5.0007 5.0007 5.4997 5.4997 5.5262 5.5262 5.6280 5.6280 5.8072 5.8072 5.9682 5.9682 6.0338 6.0338 6.5748 6.5748 6.7346 6.7346 6.8044 6.8044 7.2215 7.2215 9.3202 9.3202 9.5648 9.5648 9.6290 9.6290 9.9604 9.9604 10.4013 10.4013 k = 0.2059 0.1185 0.1279 ( 6612 PWs) bands (ev): -9.8217 -9.8217 -8.6619 -8.6619 -6.9843 -6.9843 -6.8411 -6.8411 -6.7017 -6.7017 -6.6024 -6.6024 -3.8511 -3.8511 -2.0818 -2.0818 -0.1310 -0.1310 0.4505 0.4505 0.6639 0.6639 0.8963 0.8963 1.2878 1.2878 2.7788 2.7788 3.1645 3.1645 3.4805 3.4805 3.6072 3.6072 3.7986 3.7986 3.9770 3.9770 4.1328 4.1328 4.1819 4.1819 4.3208 4.3208 4.4008 4.4008 4.8553 4.8553 5.0063 5.0063 5.5037 5.5037 5.5277 5.5277 5.6310 5.6310 5.8003 5.8003 5.9705 5.9705 6.0370 6.0370 6.5803 6.5803 6.7431 6.7431 6.8100 6.8100 7.2132 7.2132 9.2990 9.2990 9.5568 9.5568 9.6225 9.6225 9.9623 9.9623 10.3936 10.3936 k = 0.1912 0.1100 0.1187 ( 6615 PWs) bands (ev): -9.8333 -9.8333 -8.6644 -8.6644 -6.9601 -6.9601 -6.8330 -6.8330 -6.6868 -6.6868 -6.5979 -6.5979 -3.8843 -3.8843 -2.0967 -2.0967 -0.1543 -0.1543 0.4528 0.4528 0.6702 0.6702 0.8800 0.8800 1.2461 1.2461 2.7279 2.7279 3.1830 3.1830 3.4743 3.4743 3.6612 3.6612 3.8301 3.8301 3.9722 3.9722 4.1472 4.1472 4.1831 4.1831 4.3405 4.3405 4.4212 4.4212 4.8802 4.8802 5.0152 5.0152 5.5067 5.5067 5.5284 5.5284 5.6333 5.6333 5.7935 5.7935 5.9719 5.9719 6.0399 6.0399 6.5847 6.5847 6.7492 6.7492 6.8226 6.8226 7.2070 7.2070 9.2695 9.2695 9.5517 9.5517 9.6177 9.6177 9.9553 9.9553 10.3850 10.3850 k = 0.1765 0.1015 0.1096 ( 6615 PWs) bands (ev): -9.8442 -9.8442 -8.6668 -8.6668 -6.9366 -6.9366 -6.8252 -6.8252 -6.6726 -6.6726 -6.5936 -6.5936 -3.9165 -3.9165 -2.1109 -2.1109 -0.1768 -0.1768 0.4557 0.4557 0.6747 0.6747 0.8683 0.8683 1.2065 1.2065 2.6738 2.6738 3.2036 3.2036 3.4630 3.4630 3.7186 3.7186 3.8545 3.8545 3.9682 3.9682 4.1457 4.1457 4.1816 4.1816 4.3518 4.3518 4.4749 4.4749 4.8996 4.8996 5.0283 5.0283 5.5087 5.5087 5.5285 5.5285 5.6350 5.6350 5.7869 5.7869 5.9731 5.9731 6.0420 6.0420 6.5884 6.5884 6.7530 6.7530 6.8413 6.8413 7.2029 7.2029 9.2318 9.2318 9.5489 9.5489 9.6150 9.6150 9.9403 9.9403 10.3770 10.3770 k = 0.1618 0.0931 0.1005 ( 6615 PWs) bands (ev): -9.8546 -9.8546 -8.6691 -8.6691 -6.9140 -6.9140 -6.8176 -6.8176 -6.6590 -6.6590 -6.5895 -6.5895 -3.9472 -3.9472 -2.1243 -2.1243 -0.1981 -0.1981 0.4590 0.4590 0.6760 0.6760 0.8621 0.8621 1.1694 1.1694 2.6186 2.6186 3.2253 3.2253 3.4502 3.4502 3.7746 3.7746 3.8680 3.8680 3.9724 3.9724 4.1307 4.1307 4.1831 4.1831 4.3585 4.3585 4.5456 4.5456 4.9135 4.9135 5.0460 5.0460 5.5100 5.5100 5.5279 5.5279 5.6360 5.6360 5.7805 5.7805 5.9747 5.9747 6.0430 6.0430 6.5914 6.5914 6.7551 6.7551 6.8653 6.8653 7.2007 7.2007 9.1867 9.1867 9.5474 9.5474 9.6150 9.6150 9.9187 9.9187 10.3698 10.3698 k = 0.1471 0.0846 0.0913 ( 6613 PWs) bands (ev): -9.8642 -9.8642 -8.6713 -8.6713 -6.8925 -6.8925 -6.8103 -6.8103 -6.6463 -6.6463 -6.5855 -6.5855 -3.9764 -3.9764 -2.1369 -2.1369 -0.2181 -0.2181 0.4626 0.4626 0.6735 0.6735 0.8615 0.8615 1.1356 1.1356 2.5636 2.5636 3.2474 3.2474 3.4372 3.4372 3.8231 3.8231 3.8727 3.8727 3.9869 3.9869 4.1108 4.1108 4.1868 4.1868 4.3645 4.3645 4.6192 4.6192 4.9243 4.9243 5.0671 5.0671 5.5105 5.5105 5.5267 5.5267 5.6363 5.6363 5.7744 5.7744 5.9770 5.9770 6.0428 6.0428 6.5938 6.5938 6.7557 6.7557 6.8935 6.8935 7.2003 7.2003 9.1356 9.1356 9.5458 9.5458 9.6181 9.6181 9.8923 9.8923 10.3635 10.3635 k = 0.1324 0.0761 0.0822 ( 6622 PWs) bands (ev): -9.8731 -9.8731 -8.6733 -8.6733 -6.8723 -6.8723 -6.8035 -6.8035 -6.6345 -6.6345 -6.5818 -6.5818 -4.0036 -4.0036 -2.1485 -2.1485 -0.2365 -0.2365 0.4661 0.4661 0.6677 0.6677 0.8653 0.8653 1.1058 1.1058 2.5098 2.5098 3.2694 3.2694 3.4247 3.4247 3.8442 3.8442 3.8882 3.8882 4.0075 4.0075 4.0944 4.0944 4.1917 4.1917 4.3705 4.3705 4.6869 4.6869 4.9360 4.9360 5.0900 5.0900 5.5102 5.5102 5.5249 5.5249 5.6361 5.6361 5.7685 5.7685 5.9802 5.9802 6.0418 6.0418 6.5955 6.5955 6.7554 6.7554 6.9249 6.9249 7.2012 7.2012 9.0803 9.0803 9.5422 9.5422 9.6244 9.6244 9.8630 9.8630 10.3580 10.3580 k = 0.1176 0.0677 0.0731 ( 6620 PWs) bands (ev): -9.8812 -9.8812 -8.6751 -8.6751 -6.8537 -6.8537 -6.7971 -6.7971 -6.6238 -6.6238 -6.5784 -6.5784 -4.0288 -4.0288 -2.1591 -2.1591 -0.2533 -0.2533 0.4695 0.4695 0.6600 0.6600 0.8712 0.8712 1.0811 1.0811 2.4583 2.4583 3.2907 3.2907 3.4137 3.4137 3.8387 3.8387 3.9101 3.9101 4.0314 4.0314 4.0893 4.0893 4.1976 4.1976 4.3765 4.3765 4.7408 4.7408 4.9545 4.9545 5.1133 5.1133 5.5092 5.5092 5.5227 5.5227 5.6355 5.6355 5.7630 5.7630 5.9844 5.9844 6.0405 6.0405 6.5965 6.5965 6.7546 6.7546 6.9582 6.9582 7.2034 7.2034 9.0227 9.0227 9.5353 9.5353 9.6337 9.6337 9.8332 9.8332 10.3532 10.3532 k = 0.1029 0.0592 0.0639 ( 6622 PWs) bands (ev): -9.8885 -9.8885 -8.6768 -8.6768 -6.8367 -6.8367 -6.7913 -6.7913 -6.6142 -6.6142 -6.5752 -6.5752 -4.0515 -4.0515 -2.1686 -2.1686 -0.2684 -0.2684 0.4723 0.4723 0.6516 0.6516 0.8766 0.8766 1.0626 1.0626 2.4098 2.4098 3.3103 3.3103 3.4051 3.4051 3.8280 3.8280 3.9131 3.9131 4.0592 4.0592 4.0992 4.0992 4.2045 4.2045 4.3825 4.3825 4.7743 4.7743 4.9850 4.9850 5.1362 5.1362 5.5075 5.5075 5.5202 5.5202 5.6346 5.6346 5.7578 5.7578 5.9892 5.9892 6.0395 6.0395 6.5967 6.5967 6.7535 6.7535 6.9920 6.9920 7.2067 7.2067 8.9651 8.9651 9.5240 9.5240 9.6453 9.6453 9.8053 9.8053 10.3494 10.3494 k = 0.0882 0.0508 0.0548 ( 6618 PWs) bands (ev): -9.8949 -9.8949 -8.6782 -8.6782 -6.8217 -6.8217 -6.7860 -6.7860 -6.6058 -6.6058 -6.5723 -6.5723 -4.0717 -4.0717 -2.1770 -2.1770 -0.2815 -0.2815 0.4746 0.4746 0.6436 0.6436 0.8793 0.8793 1.0513 1.0513 2.3654 2.3654 3.3261 3.3261 3.4008 3.4008 3.8167 3.8167 3.8998 3.8998 4.0851 4.0851 4.1221 4.1221 4.2132 4.2132 4.3883 4.3883 4.7882 4.7882 5.0253 5.0253 5.1582 5.1582 5.5050 5.5050 5.5177 5.5177 5.6336 5.6336 5.7530 5.7530 5.9936 5.9936 6.0398 6.0398 6.5964 6.5964 6.7525 6.7525 7.0246 7.0246 7.2110 7.2110 8.9094 8.9094 9.5078 9.5078 9.6580 9.6580 9.7820 9.7820 10.3467 10.3467 k = 0.0735 0.0423 0.0457 ( 6618 PWs) bands (ev): -9.9003 -9.9003 -8.6795 -8.6795 -6.8087 -6.8087 -6.7813 -6.7813 -6.5988 -6.5988 -6.5698 -6.5698 -4.0892 -4.0892 -2.1841 -2.1841 -0.2928 -0.2928 0.4762 0.4762 0.6368 0.6368 0.8783 0.8783 1.0469 1.0469 2.3257 2.3257 3.3357 3.3357 3.4030 3.4030 3.8060 3.8060 3.8796 3.8796 4.1037 4.1037 4.1516 4.1516 4.2246 4.2246 4.3938 4.3938 4.7891 4.7891 5.0678 5.0678 5.1794 5.1794 5.5019 5.5019 5.5152 5.5152 5.6326 5.6326 5.7488 5.7488 5.9968 5.9968 6.0422 6.0422 6.5957 6.5957 6.7516 6.7516 7.0543 7.0543 7.2165 7.2165 8.8578 8.8578 9.4876 9.4876 9.6699 9.6699 9.7654 9.7654 10.3450 10.3450 k = 0.0588 0.0338 0.0365 ( 6617 PWs) bands (ev): -9.9048 -9.9048 -8.6805 -8.6805 -6.7981 -6.7981 -6.7772 -6.7772 -6.5930 -6.5930 -6.5676 -6.5676 -4.1037 -4.1037 -2.1900 -2.1900 -0.3021 -0.3021 0.4772 0.4772 0.6313 0.6313 0.8743 0.8743 1.0480 1.0480 2.2917 2.2917 3.3386 3.3386 3.4118 3.4118 3.7962 3.7962 3.8583 3.8583 4.1169 4.1169 4.1783 4.1783 4.2396 4.2396 4.3988 4.3988 4.7832 4.7832 5.1055 5.1055 5.1998 5.1998 5.4984 5.4984 5.5129 5.5129 5.6317 5.6317 5.7451 5.7451 5.9983 5.9983 6.0467 6.0467 6.5947 6.5947 6.7509 6.7509 7.0793 7.0793 7.2231 7.2231 8.8123 8.8123 9.4653 9.4653 9.6790 9.6790 9.7565 9.7565 10.3442 10.3442 k = 0.0441 0.0254 0.0274 ( 6619 PWs) bands (ev): -9.9083 -9.9083 -8.6814 -8.6814 -6.7899 -6.7899 -6.7737 -6.7737 -6.5886 -6.5886 -6.5658 -6.5658 -4.1152 -4.1152 -2.1946 -2.1946 -0.3094 -0.3094 0.4776 0.4776 0.6274 0.6274 0.8689 0.8689 1.0519 1.0519 2.2643 2.2643 3.3376 3.3376 3.4236 3.4236 3.7874 3.7874 3.8396 3.8396 4.1261 4.1261 4.1971 4.1971 4.2580 4.2580 4.4034 4.4034 4.7745 4.7745 5.1347 5.1347 5.2191 5.2191 5.4949 5.4949 5.5109 5.5109 5.6309 5.6309 5.7421 5.7421 5.9985 5.9985 6.0524 6.0524 6.5937 6.5937 6.7505 6.7505 7.0984 7.0984 7.2305 7.2305 8.7748 8.7748 9.4438 9.4438 9.6840 9.6840 9.7549 9.7549 10.3441 10.3441 k = 0.0294 0.0169 0.0183 ( 6617 PWs) bands (ev): -9.9108 -9.9108 -8.6820 -8.6820 -6.7843 -6.7843 -6.7709 -6.7709 -6.5855 -6.5855 -6.5645 -6.5645 -4.1234 -4.1234 -2.1979 -2.1979 -0.3146 -0.3146 0.4776 0.4776 0.6249 0.6249 0.8638 0.8638 1.0565 1.0565 2.2440 2.2440 3.3356 3.3356 3.4347 3.4347 3.7798 3.7798 3.8254 3.8254 4.1322 4.1322 4.2086 4.2086 4.2755 4.2755 4.4071 4.4071 4.7660 4.7660 5.1543 5.1543 5.2359 5.2359 5.4918 5.4918 5.5094 5.5094 5.6304 5.6304 5.7400 5.7400 5.9980 5.9980 6.0577 6.0577 6.5929 6.5929 6.7502 6.7502 7.1114 7.1114 7.2375 7.2375 8.7467 8.7467 9.4260 9.4260 9.6857 9.6857 9.7575 9.7575 10.3443 10.3443 k = 0.0147 0.0085 0.0091 ( 6613 PWs) bands (ev): -9.9124 -9.9124 -8.6823 -8.6823 -6.7811 -6.7811 -6.7690 -6.7690 -6.5836 -6.5836 -6.5636 -6.5636 -4.1284 -4.1284 -2.1999 -2.1999 -0.3177 -0.3177 0.4776 0.4776 0.6234 0.6234 0.8603 0.8603 1.0599 1.0599 2.2316 2.2316 3.3340 3.3340 3.4424 3.4424 3.7744 3.7744 3.8168 3.8168 4.1356 4.1356 4.2148 4.2148 4.2877 4.2877 4.4097 4.4097 4.7599 4.7599 5.1653 5.1653 5.2474 5.2474 5.4897 5.4897 5.5084 5.5084 5.6300 5.6300 5.7386 5.7386 5.9976 5.9976 6.0615 6.0615 6.5924 6.5924 6.7501 6.7501 7.1188 7.1188 7.2427 7.2427 8.7293 8.7293 9.4143 9.4143 9.6859 9.6859 9.7608 9.7608 10.3447 10.3447 k = 0.0000 0.0000 0.0000 ( 6603 PWs) bands (ev): -9.9129 -9.9129 -8.6824 -8.6824 -6.7801 -6.7801 -6.7683 -6.7683 -6.5830 -6.5830 -6.5633 -6.5633 -4.1301 -4.1301 -2.2006 -2.2006 -0.3188 -0.3188 0.4775 0.4775 0.6230 0.6230 0.8591 0.8591 1.0612 1.0612 2.2274 2.2274 3.3334 3.3334 3.4451 3.4451 3.7724 3.7724 3.8140 3.8140 4.1367 4.1367 4.2168 4.2168 4.2921 4.2921 4.4107 4.4107 4.7576 4.7576 5.1688 5.1688 5.2515 5.2515 5.4890 5.4890 5.5081 5.5081 5.6299 5.6299 5.7382 5.7382 5.9974 5.9974 6.0629 6.0629 6.5922 6.5922 6.7501 6.7501 7.1212 7.1212 7.2446 7.2446 8.7235 8.7235 9.4102 9.4102 9.6859 9.6859 9.7621 9.7621 10.3448 10.3448 Writing output data file NiPSe3.save init_run : 0.33s CPU 0.45s WALL ( 1 calls) electrons : 422.20s CPU 426.28s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.03s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 422.20s CPU 426.27s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.08s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.08s WALL ( 287 calls) cegterg : 391.39s CPU 394.65s WALL ( 294 calls) Called by sum_band: Called by *egterg: h_psi : 200.23s CPU 203.67s WALL ( 5348 calls) s_psi : 9.18s CPU 9.09s WALL ( 5348 calls) g_psi : 0.28s CPU 0.25s WALL ( 4767 calls) cdiaghg : 170.34s CPU 170.82s WALL ( 5054 calls) cegterg:over : 18.90s CPU 18.65s WALL ( 4767 calls) cegterg:upda : 9.26s CPU 9.27s WALL ( 4767 calls) cegterg:last : 5.79s CPU 5.81s WALL ( 942 calls) cdiaghg:chol : 6.06s CPU 6.02s WALL ( 5054 calls) cdiaghg:inve : 4.65s CPU 4.77s WALL ( 5054 calls) cdiaghg:para : 10.88s CPU 11.08s WALL ( 10108 calls) Called by h_psi: h_psi:vloc : 177.96s CPU 181.05s WALL ( 5348 calls) h_psi:vnl : 22.02s CPU 22.36s WALL ( 5348 calls) add_vuspsi : 10.90s CPU 11.13s WALL ( 5348 calls) General routines calbec : 11.11s CPU 11.21s WALL ( 5348 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 173.86s CPU 176.77s WALL ( 1025768 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.18s CPU 0.28s WALL ( 574 calls) Parallel routines fft_scatter : 135.50s CPU 138.27s WALL ( 1025791 calls) PWSCF : 8m 9.35s CPU 8m32.56s WALL This run was terminated on: 8:14:40 1Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=