Program PWSCF v.5.3.0 (svn rev. 11974) starts on 30Jan2017 at 22:56:26 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: ./Ba4Sb2O.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 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 83 47 13 2166 949 144 Max 84 48 14 2168 970 148 Sum 5987 3455 989 156017 68939 10511 bravais-lattice index = 14 lattice parameter (alat) = 18.2827 a.u. unit-cell volume = 1584.8758 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 3 number of electrons = 56.00 number of Kohn-Sham states= 68 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 18.282692 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.860187 celldm(5)= -0.860187 celldm(6)= 0.720373 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.720373 0.693586 0.000000 ) a(3) = ( -0.860187 -0.346793 0.373916 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.038621 1.337198 ) b(2) = ( 0.000000 1.441781 1.337198 ) b(3) = ( 0.000000 0.000000 2.674396 ) PseudoPot. # 1 for Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 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 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 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 1243 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 Ba 10.00 137.32700 Ba( 1.00) O 6.00 15.99940 O( 1.00) Sb 5.00 121.76000 Sb( 1.00) 4 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 = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 269 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037175 k( 2) = ( 0.0000000 0.0000000 0.0303909), wk = 0.0037175 k( 3) = ( 0.0000000 0.0000000 0.0607817), wk = 0.0037175 k( 4) = ( 0.0000000 0.0000000 0.0911726), wk = 0.0037175 k( 5) = ( 0.0000000 0.0000000 0.1215635), wk = 0.0037175 k( 6) = ( 0.0000000 0.0000000 0.1519543), wk = 0.0037175 k( 7) = ( 0.0000000 0.0000000 0.1823452), wk = 0.0037175 k( 8) = ( 0.0000000 0.0000000 0.2127361), wk = 0.0037175 k( 9) = ( 0.0000000 0.0000000 0.2431269), wk = 0.0037175 k( 10) = ( 0.0000000 0.0000000 0.2735178), wk = 0.0037175 k( 11) = ( 0.0000000 0.0000000 0.3039087), wk = 0.0037175 k( 12) = ( 0.0000000 0.0000000 0.3342995), wk = 0.0037175 k( 13) = ( 0.0000000 0.0000000 0.3646904), wk = 0.0037175 k( 14) = ( 0.0000000 0.0000000 0.3950813), wk = 0.0037175 k( 15) = ( 0.0000000 0.0000000 0.4254721), wk = 0.0037175 k( 16) = ( 0.0000000 0.0000000 0.4558630), wk = 0.0037175 k( 17) = ( 0.0000000 0.0000000 0.4862539), wk = 0.0037175 k( 18) = ( 0.0000000 0.0000000 0.5166447), wk = 0.0037175 k( 19) = ( 0.0000000 0.0000000 0.5470356), wk = 0.0037175 k( 20) = ( 0.0000000 0.0000000 0.5774265), wk = 0.0037175 k( 21) = ( 0.0000000 0.0000000 0.6078174), wk = 0.0037175 k( 22) = ( 0.0000000 0.0000000 0.6382082), wk = 0.0037175 k( 23) = ( 0.0000000 0.0000000 0.6685991), wk = 0.0037175 k( 24) = ( 0.0000000 0.0000000 0.6989900), wk = 0.0037175 k( 25) = ( 0.0000000 0.0000000 0.7293808), wk = 0.0037175 k( 26) = ( 0.0000000 0.0000000 0.7597717), wk = 0.0037175 k( 27) = ( 0.0000000 0.0000000 0.7901626), wk = 0.0037175 k( 28) = ( 0.0000000 0.0000000 0.8205534), wk = 0.0037175 k( 29) = ( 0.0000000 0.0000000 0.8509443), wk = 0.0037175 k( 30) = ( 0.0000000 0.0000000 0.8813351), wk = 0.0037175 k( 31) = ( 0.0000000 0.0000000 0.9117260), wk = 0.0037175 k( 32) = ( 0.0000000 0.0000000 0.9421169), wk = 0.0037175 k( 33) = ( 0.0000000 0.0000000 0.9725077), wk = 0.0037175 k( 34) = ( 0.0000000 0.0000000 1.0028986), wk = 0.0037175 k( 35) = ( 0.0000000 0.0000000 1.0332895), wk = 0.0037175 k( 36) = ( 0.0000000 0.0000000 1.0636803), wk = 0.0037175 k( 37) = ( 0.0000000 0.0000000 1.0940712), wk = 0.0037175 k( 38) = ( 0.0000000 0.0000000 1.1244621), wk = 0.0037175 k( 39) = ( 0.0000000 0.0000000 1.1548530), wk = 0.0037175 k( 40) = ( 0.0000000 0.0000000 1.1852438), wk = 0.0037175 k( 41) = ( 0.0000000 0.0000000 1.2156347), wk = 0.0037175 k( 42) = ( 0.0000000 0.0000000 1.2460256), wk = 0.0037175 k( 43) = ( 0.0000000 0.0000000 1.2764164), wk = 0.0037175 k( 44) = ( 0.0000000 0.0000000 1.3068073), wk = 0.0037175 k( 45) = ( 0.0000000 0.0000000 1.3371982), wk = 0.0037175 k( 46) = ( 0.0000000 0.0000000 1.3371982), wk = 0.0037175 k( 47) = ( -0.0101586 0.0251975 1.3371982), wk = 0.0037175 k( 48) = ( -0.0203173 0.0503951 1.3371982), wk = 0.0037175 k( 49) = ( -0.0304759 0.0755926 1.3371982), wk = 0.0037175 k( 50) = ( -0.0406346 0.1007901 1.3371982), wk = 0.0037175 k( 51) = ( -0.0406346 0.1007901 1.3371982), wk = 0.0037175 k( 52) = ( -0.0485547 0.1204351 1.3160167), wk = 0.0037175 k( 53) = ( -0.0564748 0.1400801 1.2948352), wk = 0.0037175 k( 54) = ( -0.0643949 0.1597252 1.2736538), wk = 0.0037175 k( 55) = ( -0.0723150 0.1793702 1.2524723), wk = 0.0037175 k( 56) = ( -0.0802351 0.1990152 1.2312908), wk = 0.0037175 k( 57) = ( -0.0881551 0.2186602 1.2101094), wk = 0.0037175 k( 58) = ( -0.0960752 0.2383052 1.1889279), wk = 0.0037175 k( 59) = ( -0.1039953 0.2579503 1.1677464), wk = 0.0037175 k( 60) = ( -0.1119154 0.2775953 1.1465649), wk = 0.0037175 k( 61) = ( -0.1198355 0.2972403 1.1253835), wk = 0.0037175 k( 62) = ( -0.1277556 0.3168853 1.1042020), wk = 0.0037175 k( 63) = ( -0.1356757 0.3365303 1.0830205), wk = 0.0037175 k( 64) = ( -0.1435958 0.3561753 1.0618391), wk = 0.0037175 k( 65) = ( -0.1515159 0.3758204 1.0406576), wk = 0.0037175 k( 66) = ( -0.1594360 0.3954654 1.0194761), wk = 0.0037175 k( 67) = ( -0.1673561 0.4151104 0.9982946), wk = 0.0037175 k( 68) = ( -0.1752762 0.4347554 0.9771132), wk = 0.0037175 k( 69) = ( -0.1831963 0.4544004 0.9559317), wk = 0.0037175 k( 70) = ( -0.1911163 0.4740454 0.9347502), wk = 0.0037175 k( 71) = ( -0.1990365 0.4936905 0.9135688), wk = 0.0037175 k( 72) = ( -0.2069565 0.5133355 0.8923873), wk = 0.0037175 k( 73) = ( -0.2148766 0.5329805 0.8712058), wk = 0.0037175 k( 74) = ( -0.2227967 0.5526255 0.8500244), wk = 0.0037175 k( 75) = ( -0.2307168 0.5722705 0.8288429), wk = 0.0037175 k( 76) = ( -0.2386369 0.5919155 0.8076614), wk = 0.0037175 k( 77) = ( -0.2465570 0.6115606 0.7864800), wk = 0.0037175 k( 78) = ( -0.2544771 0.6312056 0.7652985), wk = 0.0037175 k( 79) = ( -0.2623972 0.6508506 0.7441170), wk = 0.0037175 k( 80) = ( -0.2703173 0.6704956 0.7229356), wk = 0.0037175 k( 81) = ( -0.2703173 0.6704956 0.7229356), wk = 0.0037175 k( 82) = ( -0.2623668 0.6507752 0.7016728), wk = 0.0037175 k( 83) = ( -0.2544163 0.6310547 0.6804099), wk = 0.0037175 k( 84) = ( -0.2464658 0.6113342 0.6591471), wk = 0.0037175 k( 85) = ( -0.2385153 0.5916138 0.6378843), wk = 0.0037175 k( 86) = ( -0.2305648 0.5718933 0.6166215), wk = 0.0037175 k( 87) = ( -0.2226142 0.5521729 0.5953587), wk = 0.0037175 k( 88) = ( -0.2146637 0.5324524 0.5740959), wk = 0.0037175 k( 89) = ( -0.2067132 0.5127320 0.5528331), wk = 0.0037175 k( 90) = ( -0.1987627 0.4930115 0.5315703), wk = 0.0037175 k( 91) = ( -0.1908122 0.4732910 0.5103074), wk = 0.0037175 k( 92) = ( -0.1828617 0.4535706 0.4890447), wk = 0.0037175 k( 93) = ( -0.1749112 0.4338501 0.4677818), wk = 0.0037175 k( 94) = ( -0.1669607 0.4141297 0.4465190), wk = 0.0037175 k( 95) = ( -0.1590102 0.3944092 0.4252562), wk = 0.0037175 k( 96) = ( -0.1510597 0.3746887 0.4039934), wk = 0.0037175 k( 97) = ( -0.1431091 0.3549683 0.3827306), wk = 0.0037175 k( 98) = ( -0.1351586 0.3352478 0.3614678), wk = 0.0037175 k( 99) = ( -0.1272081 0.3155274 0.3402050), wk = 0.0037175 k( 100) = ( -0.1192576 0.2958069 0.3189422), wk = 0.0037175 k( 101) = ( -0.1113071 0.2760864 0.2976794), wk = 0.0037175 k( 102) = ( -0.1033566 0.2563660 0.2764165), wk = 0.0037175 k( 103) = ( -0.0954061 0.2366455 0.2551537), wk = 0.0037175 k( 104) = ( -0.0874556 0.2169250 0.2338909), wk = 0.0037175 k( 105) = ( -0.0795051 0.1972046 0.2126281), wk = 0.0037175 k( 106) = ( -0.0715546 0.1774841 0.1913653), wk = 0.0037175 k( 107) = ( -0.0636041 0.1577637 0.1701025), wk = 0.0037175 k( 108) = ( -0.0556536 0.1380432 0.1488397), wk = 0.0037175 k( 109) = ( -0.0477030 0.1183228 0.1275769), wk = 0.0037175 k( 110) = ( -0.0397525 0.0986023 0.1063140), wk = 0.0037175 k( 111) = ( -0.0318020 0.0788818 0.0850512), wk = 0.0037175 k( 112) = ( -0.0238515 0.0591614 0.0637884), wk = 0.0037175 k( 113) = ( -0.0159010 0.0394409 0.0425256), wk = 0.0037175 k( 114) = ( -0.0079505 0.0197205 0.0212628), wk = 0.0037175 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037175 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037175 k( 117) = ( 0.0277778 0.0111989 -0.0000000), wk = 0.0037175 k( 118) = ( 0.0555556 0.0223978 -0.0000000), wk = 0.0037175 k( 119) = ( 0.0833333 0.0335967 -0.0000000), wk = 0.0037175 k( 120) = ( 0.1111111 0.0447956 -0.0000000), wk = 0.0037175 k( 121) = ( 0.1388889 0.0559945 -0.0000000), wk = 0.0037175 k( 122) = ( 0.1666667 0.0671934 -0.0000000), wk = 0.0037175 k( 123) = ( 0.1944444 0.0783923 -0.0000000), wk = 0.0037175 k( 124) = ( 0.2222222 0.0895912 -0.0000000), wk = 0.0037175 k( 125) = ( 0.2500000 0.1007901 -0.0000000), wk = 0.0037175 k( 126) = ( 0.2777778 0.1119890 -0.0000000), wk = 0.0037175 k( 127) = ( 0.3055556 0.1231879 -0.0000000), wk = 0.0037175 k( 128) = ( 0.3333333 0.1343868 -0.0000000), wk = 0.0037175 k( 129) = ( 0.3611111 0.1455857 -0.0000000), wk = 0.0037175 k( 130) = ( 0.3888889 0.1567846 -0.0000000), wk = 0.0037175 k( 131) = ( 0.4166667 0.1679835 -0.0000000), wk = 0.0037175 k( 132) = ( 0.4444444 0.1791824 -0.0000000), wk = 0.0037175 k( 133) = ( 0.4722222 0.1903813 -0.0000000), wk = 0.0037175 k( 134) = ( 0.5000000 0.2015802 -0.0000000), wk = 0.0037175 k( 135) = ( 0.5000000 0.2015802 -0.0000000), wk = 0.0037175 k( 136) = ( 0.4920799 0.2212252 0.0211815), wk = 0.0037175 k( 137) = ( 0.4841598 0.2408702 0.0423629), wk = 0.0037175 k( 138) = ( 0.4762397 0.2605153 0.0635444), wk = 0.0037175 k( 139) = ( 0.4683196 0.2801603 0.0847259), wk = 0.0037175 k( 140) = ( 0.4603995 0.2998053 0.1059074), wk = 0.0037175 k( 141) = ( 0.4524794 0.3194503 0.1270888), wk = 0.0037175 k( 142) = ( 0.4445594 0.3390953 0.1482703), wk = 0.0037175 k( 143) = ( 0.4366392 0.3587404 0.1694518), wk = 0.0037175 k( 144) = ( 0.4287192 0.3783854 0.1906332), wk = 0.0037175 k( 145) = ( 0.4207991 0.3980304 0.2118147), wk = 0.0037175 k( 146) = ( 0.4128790 0.4176754 0.2329962), wk = 0.0037175 k( 147) = ( 0.4049589 0.4373204 0.2541776), wk = 0.0037175 k( 148) = ( 0.3970388 0.4569655 0.2753591), wk = 0.0037175 k( 149) = ( 0.3891187 0.4766105 0.2965406), wk = 0.0037175 k( 150) = ( 0.3811986 0.4962555 0.3177220), wk = 0.0037175 k( 151) = ( 0.3732785 0.5159005 0.3389035), wk = 0.0037175 k( 152) = ( 0.3653584 0.5355455 0.3600850), wk = 0.0037175 k( 153) = ( 0.3574383 0.5551905 0.3812664), wk = 0.0037175 k( 154) = ( 0.3495182 0.5748356 0.4024479), wk = 0.0037175 k( 155) = ( 0.3415981 0.5944806 0.4236294), wk = 0.0037175 k( 156) = ( 0.3336780 0.6141256 0.4448108), wk = 0.0037175 k( 157) = ( 0.3257579 0.6337706 0.4659923), wk = 0.0037175 k( 158) = ( 0.3178378 0.6534156 0.4871738), wk = 0.0037175 k( 159) = ( 0.3099178 0.6730606 0.5083552), wk = 0.0037175 k( 160) = ( 0.3019977 0.6927057 0.5295367), wk = 0.0037175 k( 161) = ( 0.2940776 0.7123507 0.5507182), wk = 0.0037175 k( 162) = ( 0.2861575 0.7319957 0.5718996), wk = 0.0037175 k( 163) = ( 0.2782374 0.7516407 0.5930811), wk = 0.0037175 k( 164) = ( 0.2703173 0.7712857 0.6142626), wk = 0.0037175 k( 165) = ( 0.2703173 0.7712857 0.6142626), wk = 0.0037175 k( 166) = ( 0.2432856 0.7662462 0.6196962), wk = 0.0037175 k( 167) = ( 0.2162538 0.7612067 0.6251299), wk = 0.0037175 k( 168) = ( 0.1892221 0.7561672 0.6305635), wk = 0.0037175 k( 169) = ( 0.1621904 0.7511277 0.6359972), wk = 0.0037175 k( 170) = ( 0.1351586 0.7460882 0.6414309), wk = 0.0037175 k( 171) = ( 0.1081269 0.7410487 0.6468645), wk = 0.0037175 k( 172) = ( 0.0810952 0.7360092 0.6522981), wk = 0.0037175 k( 173) = ( 0.0540635 0.7309697 0.6577318), wk = 0.0037175 k( 174) = ( 0.0270317 0.7259302 0.6631654), wk = 0.0037175 k( 175) = ( 0.0000000 0.7208907 0.6685991), wk = 0.0037175 k( 176) = ( 0.0000000 0.7208907 0.6685991), wk = 0.0037175 k( 177) = ( 0.0080645 0.7008874 0.6901668), wk = 0.0037175 k( 178) = ( 0.0161290 0.6808842 0.7117345), wk = 0.0037175 k( 179) = ( 0.0241936 0.6608809 0.7333022), wk = 0.0037175 k( 180) = ( 0.0322581 0.6408777 0.7548699), wk = 0.0037175 k( 181) = ( 0.0403226 0.6208745 0.7764376), wk = 0.0037175 k( 182) = ( 0.0483871 0.6008712 0.7980054), wk = 0.0037175 k( 183) = ( 0.0564516 0.5808680 0.8195731), wk = 0.0037175 k( 184) = ( 0.0645161 0.5608647 0.8411408), wk = 0.0037175 k( 185) = ( 0.0725806 0.5408615 0.8627085), wk = 0.0037175 k( 186) = ( 0.0806452 0.5208582 0.8842762), wk = 0.0037175 k( 187) = ( 0.0887097 0.5008550 0.9058439), wk = 0.0037175 k( 188) = ( 0.0967742 0.4808518 0.9274116), wk = 0.0037175 k( 189) = ( 0.1048387 0.4608485 0.9489793), wk = 0.0037175 k( 190) = ( 0.1129032 0.4408452 0.9705471), wk = 0.0037175 k( 191) = ( 0.1209677 0.4208420 0.9921148), wk = 0.0037175 k( 192) = ( 0.1290323 0.4008388 1.0136825), wk = 0.0037175 k( 193) = ( 0.1370968 0.3808355 1.0352502), wk = 0.0037175 k( 194) = ( 0.1451613 0.3608323 1.0568179), wk = 0.0037175 k( 195) = ( 0.1532258 0.3408290 1.0783856), wk = 0.0037175 k( 196) = ( 0.1612903 0.3208258 1.0999533), wk = 0.0037175 k( 197) = ( 0.1693548 0.3008225 1.1215210), wk = 0.0037175 k( 198) = ( 0.1774194 0.2808193 1.1430887), wk = 0.0037175 k( 199) = ( 0.1854839 0.2608161 1.1646565), wk = 0.0037175 k( 200) = ( 0.1935484 0.2408128 1.1862242), wk = 0.0037175 k( 201) = ( 0.2016129 0.2208096 1.2077919), wk = 0.0037175 k( 202) = ( 0.2096774 0.2008063 1.2293596), wk = 0.0037175 k( 203) = ( 0.2177419 0.1808031 1.2509273), wk = 0.0037175 k( 204) = ( 0.2258064 0.1607998 1.2724950), wk = 0.0037175 k( 205) = ( 0.2338710 0.1407966 1.2940627), wk = 0.0037175 k( 206) = ( 0.2419355 0.1207934 1.3156304), wk = 0.0037175 k( 207) = ( 0.2500000 0.1007901 1.3371982), wk = 0.0037175 k( 208) = ( 0.2500000 0.1007901 1.3371982), wk = 0.0037175 k( 209) = ( 0.2750000 0.1108691 1.3263309), wk = 0.0037175 k( 210) = ( 0.3000000 0.1209481 1.3154636), wk = 0.0037175 k( 211) = ( 0.3250000 0.1310271 1.3045963), wk = 0.0037175 k( 212) = ( 0.3500000 0.1411061 1.2937290), wk = 0.0037175 k( 213) = ( 0.3750000 0.1511852 1.2828617), wk = 0.0037175 k( 214) = ( 0.4000000 0.1612642 1.2719944), wk = 0.0037175 k( 215) = ( 0.4250000 0.1713432 1.2611271), wk = 0.0037175 k( 216) = ( 0.4500000 0.1814222 1.2502598), wk = 0.0037175 k( 217) = ( 0.4750000 0.1915012 1.2393925), wk = 0.0037175 k( 218) = ( 0.5000000 0.2015802 1.2285252), wk = 0.0037175 k( 219) = ( 0.5000000 0.2015802 1.2285252), wk = 0.0037175 k( 220) = ( 0.5000000 0.2015802 1.1978121), wk = 0.0037175 k( 221) = ( 0.5000000 0.2015802 1.1670989), wk = 0.0037175 k( 222) = ( 0.5000000 0.2015802 1.1363858), wk = 0.0037175 k( 223) = ( 0.5000000 0.2015802 1.1056727), wk = 0.0037175 k( 224) = ( 0.5000000 0.2015802 1.0749595), wk = 0.0037175 k( 225) = ( 0.5000000 0.2015802 1.0442464), wk = 0.0037175 k( 226) = ( 0.5000000 0.2015802 1.0135333), wk = 0.0037175 k( 227) = ( 0.5000000 0.2015802 0.9828202), wk = 0.0037175 k( 228) = ( 0.5000000 0.2015802 0.9521070), wk = 0.0037175 k( 229) = ( 0.5000000 0.2015802 0.9213939), wk = 0.0037175 k( 230) = ( 0.5000000 0.2015802 0.8906808), wk = 0.0037175 k( 231) = ( 0.5000000 0.2015802 0.8599676), wk = 0.0037175 k( 232) = ( 0.5000000 0.2015802 0.8292545), wk = 0.0037175 k( 233) = ( 0.5000000 0.2015802 0.7985414), wk = 0.0037175 k( 234) = ( 0.5000000 0.2015802 0.7678283), wk = 0.0037175 k( 235) = ( 0.5000000 0.2015802 0.7371151), wk = 0.0037175 k( 236) = ( 0.5000000 0.2015802 0.7064020), wk = 0.0037175 k( 237) = ( 0.5000000 0.2015802 0.6756889), wk = 0.0037175 k( 238) = ( 0.5000000 0.2015802 0.6449757), wk = 0.0037175 k( 239) = ( 0.5000000 0.2015802 0.6142626), wk = 0.0037175 k( 240) = ( 0.5000000 0.2015802 0.5835495), wk = 0.0037175 k( 241) = ( 0.5000000 0.2015802 0.5528363), wk = 0.0037175 k( 242) = ( 0.5000000 0.2015802 0.5221232), wk = 0.0037175 k( 243) = ( 0.5000000 0.2015802 0.4914101), wk = 0.0037175 k( 244) = ( 0.5000000 0.2015802 0.4606969), wk = 0.0037175 k( 245) = ( 0.5000000 0.2015802 0.4299838), wk = 0.0037175 k( 246) = ( 0.5000000 0.2015802 0.3992707), wk = 0.0037175 k( 247) = ( 0.5000000 0.2015802 0.3685576), wk = 0.0037175 k( 248) = ( 0.5000000 0.2015802 0.3378444), wk = 0.0037175 k( 249) = ( 0.5000000 0.2015802 0.3071313), wk = 0.0037175 k( 250) = ( 0.5000000 0.2015802 0.2764182), wk = 0.0037175 k( 251) = ( 0.5000000 0.2015802 0.2457050), wk = 0.0037175 k( 252) = ( 0.5000000 0.2015802 0.2149919), wk = 0.0037175 k( 253) = ( 0.5000000 0.2015802 0.1842788), wk = 0.0037175 k( 254) = ( 0.5000000 0.2015802 0.1535657), wk = 0.0037175 k( 255) = ( 0.5000000 0.2015802 0.1228525), wk = 0.0037175 k( 256) = ( 0.5000000 0.2015802 0.0921394), wk = 0.0037175 k( 257) = ( 0.5000000 0.2015802 0.0614263), wk = 0.0037175 k( 258) = ( 0.5000000 0.2015802 0.0307131), wk = 0.0037175 k( 259) = ( 0.5000000 0.2015802 -0.0000000), wk = 0.0037175 k( 260) = ( 0.0000000 0.0000000 1.3371982), wk = 0.0037175 k( 261) = ( 0.0277778 0.0111989 1.3371982), wk = 0.0037175 k( 262) = ( 0.0555556 0.0223978 1.3371982), wk = 0.0037175 k( 263) = ( 0.0833333 0.0335967 1.3371982), wk = 0.0037175 k( 264) = ( 0.1111111 0.0447956 1.3371982), wk = 0.0037175 k( 265) = ( 0.1388889 0.0559945 1.3371982), wk = 0.0037175 k( 266) = ( 0.1666667 0.0671934 1.3371982), wk = 0.0037175 k( 267) = ( 0.1944444 0.0783923 1.3371982), wk = 0.0037175 k( 268) = ( 0.2222222 0.0895912 1.3371982), wk = 0.0037175 k( 269) = ( 0.2500000 0.1007901 1.3371982), wk = 0.0037175 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037175 k( 2) = ( 0.0000000 0.0000000 0.0113636), wk = 0.0037175 k( 3) = ( 0.0000000 0.0000000 0.0227273), wk = 0.0037175 k( 4) = ( 0.0000000 0.0000000 0.0340909), wk = 0.0037175 k( 5) = ( 0.0000000 0.0000000 0.0454545), wk = 0.0037175 k( 6) = ( 0.0000000 0.0000000 0.0568182), wk = 0.0037175 k( 7) = ( 0.0000000 0.0000000 0.0681818), wk = 0.0037175 k( 8) = ( 0.0000000 0.0000000 0.0795455), wk = 0.0037175 k( 9) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0037175 k( 10) = ( 0.0000000 0.0000000 0.1022727), wk = 0.0037175 k( 11) = ( 0.0000000 0.0000000 0.1136364), wk = 0.0037175 k( 12) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0037175 k( 13) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0037175 k( 14) = ( 0.0000000 0.0000000 0.1477273), wk = 0.0037175 k( 15) = ( 0.0000000 0.0000000 0.1590909), wk = 0.0037175 k( 16) = ( 0.0000000 0.0000000 0.1704546), wk = 0.0037175 k( 17) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0037175 k( 18) = ( 0.0000000 0.0000000 0.1931818), wk = 0.0037175 k( 19) = ( 0.0000000 0.0000000 0.2045454), wk = 0.0037175 k( 20) = ( 0.0000000 0.0000000 0.2159091), wk = 0.0037175 k( 21) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0037175 k( 22) = ( 0.0000000 0.0000000 0.2386364), wk = 0.0037175 k( 23) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0037175 k( 24) = ( 0.0000000 0.0000000 0.2613636), wk = 0.0037175 k( 25) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0037175 k( 26) = ( 0.0000000 0.0000000 0.2840909), wk = 0.0037175 k( 27) = ( 0.0000000 0.0000000 0.2954545), wk = 0.0037175 k( 28) = ( 0.0000000 0.0000000 0.3068182), wk = 0.0037175 k( 29) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0037175 k( 30) = ( 0.0000000 0.0000000 0.3295455), wk = 0.0037175 k( 31) = ( 0.0000000 0.0000000 0.3409091), wk = 0.0037175 k( 32) = ( 0.0000000 0.0000000 0.3522727), wk = 0.0037175 k( 33) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0037175 k( 34) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0037175 k( 35) = ( 0.0000000 0.0000000 0.3863636), wk = 0.0037175 k( 36) = ( 0.0000000 0.0000000 0.3977273), wk = 0.0037175 k( 37) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0037175 k( 38) = ( 0.0000000 0.0000000 0.4204545), wk = 0.0037175 k( 39) = ( 0.0000000 0.0000000 0.4318182), wk = 0.0037175 k( 40) = ( 0.0000000 0.0000000 0.4431818), wk = 0.0037175 k( 41) = ( 0.0000000 0.0000000 0.4545454), wk = 0.0037175 k( 42) = ( 0.0000000 0.0000000 0.4659091), wk = 0.0037175 k( 43) = ( 0.0000000 0.0000000 0.4772727), wk = 0.0037175 k( 44) = ( 0.0000000 0.0000000 0.4886364), wk = 0.0037175 k( 45) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037175 k( 46) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037175 k( 47) = ( -0.0101586 0.0101586 0.5000000), wk = 0.0037175 k( 48) = ( -0.0203173 0.0203173 0.5000000), wk = 0.0037175 k( 49) = ( -0.0304759 0.0304759 0.5000000), wk = 0.0037175 k( 50) = ( -0.0406346 0.0406346 0.5000000), wk = 0.0037175 k( 51) = ( -0.0406346 0.0406346 0.5000000), wk = 0.0037175 k( 52) = ( -0.0485547 0.0485547 0.4920799), wk = 0.0037175 k( 53) = ( -0.0564748 0.0564748 0.4841598), wk = 0.0037175 k( 54) = ( -0.0643949 0.0643949 0.4762397), wk = 0.0037175 k( 55) = ( -0.0723150 0.0723149 0.4683196), wk = 0.0037175 k( 56) = ( -0.0802351 0.0802350 0.4603995), wk = 0.0037175 k( 57) = ( -0.0881551 0.0881551 0.4524794), wk = 0.0037175 k( 58) = ( -0.0960752 0.0960752 0.4445593), wk = 0.0037175 k( 59) = ( -0.1039953 0.1039953 0.4366392), wk = 0.0037175 k( 60) = ( -0.1119154 0.1119154 0.4287192), wk = 0.0037175 k( 61) = ( -0.1198355 0.1198355 0.4207991), wk = 0.0037175 k( 62) = ( -0.1277556 0.1277556 0.4128790), wk = 0.0037175 k( 63) = ( -0.1356757 0.1356757 0.4049589), wk = 0.0037175 k( 64) = ( -0.1435958 0.1435958 0.3970388), wk = 0.0037175 k( 65) = ( -0.1515159 0.1515159 0.3891187), wk = 0.0037175 k( 66) = ( -0.1594360 0.1594360 0.3811986), wk = 0.0037175 k( 67) = ( -0.1673561 0.1673561 0.3732785), wk = 0.0037175 k( 68) = ( -0.1752762 0.1752762 0.3653584), wk = 0.0037175 k( 69) = ( -0.1831963 0.1831963 0.3574383), wk = 0.0037175 k( 70) = ( -0.1911163 0.1911163 0.3495182), wk = 0.0037175 k( 71) = ( -0.1990365 0.1990364 0.3415981), wk = 0.0037175 k( 72) = ( -0.2069565 0.2069565 0.3336780), wk = 0.0037175 k( 73) = ( -0.2148766 0.2148766 0.3257579), wk = 0.0037175 k( 74) = ( -0.2227967 0.2227967 0.3178378), wk = 0.0037175 k( 75) = ( -0.2307168 0.2307168 0.3099178), wk = 0.0037175 k( 76) = ( -0.2386369 0.2386369 0.3019977), wk = 0.0037175 k( 77) = ( -0.2465570 0.2465570 0.2940776), wk = 0.0037175 k( 78) = ( -0.2544771 0.2544771 0.2861575), wk = 0.0037175 k( 79) = ( -0.2623972 0.2623972 0.2782374), wk = 0.0037175 k( 80) = ( -0.2703173 0.2703173 0.2703173), wk = 0.0037175 k( 81) = ( -0.2703173 0.2703173 0.2703173), wk = 0.0037175 k( 82) = ( -0.2623668 0.2623668 0.2623668), wk = 0.0037175 k( 83) = ( -0.2544163 0.2544163 0.2544163), wk = 0.0037175 k( 84) = ( -0.2464658 0.2464658 0.2464658), wk = 0.0037175 k( 85) = ( -0.2385153 0.2385152 0.2385152), wk = 0.0037175 k( 86) = ( -0.2305648 0.2305647 0.2305648), wk = 0.0037175 k( 87) = ( -0.2226142 0.2226142 0.2226142), wk = 0.0037175 k( 88) = ( -0.2146637 0.2146637 0.2146637), wk = 0.0037175 k( 89) = ( -0.2067132 0.2067132 0.2067132), wk = 0.0037175 k( 90) = ( -0.1987627 0.1987627 0.1987627), wk = 0.0037175 k( 91) = ( -0.1908122 0.1908122 0.1908122), wk = 0.0037175 k( 92) = ( -0.1828617 0.1828617 0.1828617), wk = 0.0037175 k( 93) = ( -0.1749112 0.1749112 0.1749112), wk = 0.0037175 k( 94) = ( -0.1669607 0.1669607 0.1669607), wk = 0.0037175 k( 95) = ( -0.1590102 0.1590102 0.1590102), wk = 0.0037175 k( 96) = ( -0.1510597 0.1510597 0.1510597), wk = 0.0037175 k( 97) = ( -0.1431091 0.1431091 0.1431091), wk = 0.0037175 k( 98) = ( -0.1351586 0.1351586 0.1351586), wk = 0.0037175 k( 99) = ( -0.1272081 0.1272081 0.1272081), wk = 0.0037175 k( 100) = ( -0.1192576 0.1192576 0.1192576), wk = 0.0037175 k( 101) = ( -0.1113071 0.1113071 0.1113071), wk = 0.0037175 k( 102) = ( -0.1033566 0.1033566 0.1033566), wk = 0.0037175 k( 103) = ( -0.0954061 0.0954061 0.0954061), wk = 0.0037175 k( 104) = ( -0.0874556 0.0874556 0.0874556), wk = 0.0037175 k( 105) = ( -0.0795051 0.0795051 0.0795051), wk = 0.0037175 k( 106) = ( -0.0715546 0.0715546 0.0715546), wk = 0.0037175 k( 107) = ( -0.0636041 0.0636041 0.0636041), wk = 0.0037175 k( 108) = ( -0.0556536 0.0556536 0.0556536), wk = 0.0037175 k( 109) = ( -0.0477030 0.0477030 0.0477031), wk = 0.0037175 k( 110) = ( -0.0397525 0.0397525 0.0397525), wk = 0.0037175 k( 111) = ( -0.0318020 0.0318020 0.0318020), wk = 0.0037175 k( 112) = ( -0.0238515 0.0238515 0.0238515), wk = 0.0037175 k( 113) = ( -0.0159010 0.0159010 0.0159010), wk = 0.0037175 k( 114) = ( -0.0079505 0.0079505 0.0079505), wk = 0.0037175 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037175 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037175 k( 117) = ( 0.0277778 0.0277778 -0.0277778), wk = 0.0037175 k( 118) = ( 0.0555556 0.0555556 -0.0555556), wk = 0.0037175 k( 119) = ( 0.0833333 0.0833333 -0.0833333), wk = 0.0037175 k( 120) = ( 0.1111111 0.1111111 -0.1111111), wk = 0.0037175 k( 121) = ( 0.1388889 0.1388889 -0.1388889), wk = 0.0037175 k( 122) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0037175 k( 123) = ( 0.1944444 0.1944444 -0.1944444), wk = 0.0037175 k( 124) = ( 0.2222222 0.2222222 -0.2222222), wk = 0.0037175 k( 125) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0037175 k( 126) = ( 0.2777778 0.2777778 -0.2777778), wk = 0.0037175 k( 127) = ( 0.3055556 0.3055556 -0.3055556), wk = 0.0037175 k( 128) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0037175 k( 129) = ( 0.3611111 0.3611111 -0.3611111), wk = 0.0037175 k( 130) = ( 0.3888889 0.3888889 -0.3888889), wk = 0.0037175 k( 131) = ( 0.4166667 0.4166667 -0.4166667), wk = 0.0037175 k( 132) = ( 0.4444444 0.4444444 -0.4444444), wk = 0.0037175 k( 133) = ( 0.4722222 0.4722222 -0.4722222), wk = 0.0037175 k( 134) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0037175 k( 135) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0037175 k( 136) = ( 0.4920799 0.5079201 -0.4920799), wk = 0.0037175 k( 137) = ( 0.4841598 0.5158402 -0.4841598), wk = 0.0037175 k( 138) = ( 0.4762397 0.5237603 -0.4762397), wk = 0.0037175 k( 139) = ( 0.4683196 0.5316804 -0.4683196), wk = 0.0037175 k( 140) = ( 0.4603995 0.5396005 -0.4603995), wk = 0.0037175 k( 141) = ( 0.4524794 0.5475206 -0.4524794), wk = 0.0037175 k( 142) = ( 0.4445594 0.5554406 -0.4445593), wk = 0.0037175 k( 143) = ( 0.4366392 0.5633607 -0.4366392), wk = 0.0037175 k( 144) = ( 0.4287192 0.5712808 -0.4287192), wk = 0.0037175 k( 145) = ( 0.4207991 0.5792009 -0.4207991), wk = 0.0037175 k( 146) = ( 0.4128790 0.5871210 -0.4128790), wk = 0.0037175 k( 147) = ( 0.4049589 0.5950411 -0.4049589), wk = 0.0037175 k( 148) = ( 0.3970388 0.6029612 -0.3970388), wk = 0.0037175 k( 149) = ( 0.3891187 0.6108813 -0.3891187), wk = 0.0037175 k( 150) = ( 0.3811986 0.6188014 -0.3811986), wk = 0.0037175 k( 151) = ( 0.3732785 0.6267215 -0.3732785), wk = 0.0037175 k( 152) = ( 0.3653584 0.6346416 -0.3653584), wk = 0.0037175 k( 153) = ( 0.3574383 0.6425617 -0.3574383), wk = 0.0037175 k( 154) = ( 0.3495182 0.6504818 -0.3495182), wk = 0.0037175 k( 155) = ( 0.3415981 0.6584019 -0.3415981), wk = 0.0037175 k( 156) = ( 0.3336780 0.6663220 -0.3336780), wk = 0.0037175 k( 157) = ( 0.3257579 0.6742421 -0.3257579), wk = 0.0037175 k( 158) = ( 0.3178378 0.6821622 -0.3178378), wk = 0.0037175 k( 159) = ( 0.3099178 0.6900822 -0.3099178), wk = 0.0037175 k( 160) = ( 0.3019977 0.6980023 -0.3019977), wk = 0.0037175 k( 161) = ( 0.2940776 0.7059224 -0.2940776), wk = 0.0037175 k( 162) = ( 0.2861575 0.7138425 -0.2861575), wk = 0.0037175 k( 163) = ( 0.2782374 0.7217626 -0.2782374), wk = 0.0037175 k( 164) = ( 0.2703173 0.7296827 -0.2703173), wk = 0.0037175 k( 165) = ( 0.2703173 0.7296827 -0.2703173), wk = 0.0037175 k( 166) = ( 0.2432856 0.7067144 -0.2432856), wk = 0.0037175 k( 167) = ( 0.2162538 0.6837462 -0.2162538), wk = 0.0037175 k( 168) = ( 0.1892221 0.6607779 -0.1892221), wk = 0.0037175 k( 169) = ( 0.1621904 0.6378096 -0.1621904), wk = 0.0037175 k( 170) = ( 0.1351586 0.6148414 -0.1351586), wk = 0.0037175 k( 171) = ( 0.1081269 0.5918731 -0.1081269), wk = 0.0037175 k( 172) = ( 0.0810952 0.5689048 -0.0810952), wk = 0.0037175 k( 173) = ( 0.0540635 0.5459365 -0.0540635), wk = 0.0037175 k( 174) = ( 0.0270317 0.5229683 -0.0270317), wk = 0.0037175 k( 175) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0037175 k( 176) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0037175 k( 177) = ( 0.0080645 0.4919355 0.0080645), wk = 0.0037175 k( 178) = ( 0.0161290 0.4838710 0.0161290), wk = 0.0037175 k( 179) = ( 0.0241936 0.4758064 0.0241936), wk = 0.0037175 k( 180) = ( 0.0322581 0.4677419 0.0322581), wk = 0.0037175 k( 181) = ( 0.0403226 0.4596774 0.0403226), wk = 0.0037175 k( 182) = ( 0.0483871 0.4516129 0.0483871), wk = 0.0037175 k( 183) = ( 0.0564516 0.4435484 0.0564516), wk = 0.0037175 k( 184) = ( 0.0645161 0.4354839 0.0645161), wk = 0.0037175 k( 185) = ( 0.0725806 0.4274193 0.0725806), wk = 0.0037175 k( 186) = ( 0.0806452 0.4193548 0.0806452), wk = 0.0037175 k( 187) = ( 0.0887097 0.4112903 0.0887097), wk = 0.0037175 k( 188) = ( 0.0967742 0.4032258 0.0967742), wk = 0.0037175 k( 189) = ( 0.1048387 0.3951613 0.1048387), wk = 0.0037175 k( 190) = ( 0.1129032 0.3870968 0.1129032), wk = 0.0037175 k( 191) = ( 0.1209677 0.3790323 0.1209677), wk = 0.0037175 k( 192) = ( 0.1290323 0.3709677 0.1290323), wk = 0.0037175 k( 193) = ( 0.1370968 0.3629032 0.1370968), wk = 0.0037175 k( 194) = ( 0.1451613 0.3548387 0.1451613), wk = 0.0037175 k( 195) = ( 0.1532258 0.3467742 0.1532258), wk = 0.0037175 k( 196) = ( 0.1612903 0.3387097 0.1612903), wk = 0.0037175 k( 197) = ( 0.1693548 0.3306452 0.1693548), wk = 0.0037175 k( 198) = ( 0.1774194 0.3225806 0.1774193), wk = 0.0037175 k( 199) = ( 0.1854839 0.3145161 0.1854839), wk = 0.0037175 k( 200) = ( 0.1935484 0.3064516 0.1935484), wk = 0.0037175 k( 201) = ( 0.2016129 0.2983871 0.2016129), wk = 0.0037175 k( 202) = ( 0.2096774 0.2903226 0.2096774), wk = 0.0037175 k( 203) = ( 0.2177419 0.2822581 0.2177419), wk = 0.0037175 k( 204) = ( 0.2258064 0.2741936 0.2258064), wk = 0.0037175 k( 205) = ( 0.2338710 0.2661290 0.2338710), wk = 0.0037175 k( 206) = ( 0.2419355 0.2580645 0.2419355), wk = 0.0037175 k( 207) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0037175 k( 208) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0037175 k( 209) = ( 0.2750000 0.2750000 0.2209365), wk = 0.0037175 k( 210) = ( 0.3000000 0.3000000 0.1918731), wk = 0.0037175 k( 211) = ( 0.3250000 0.3250000 0.1628096), wk = 0.0037175 k( 212) = ( 0.3500000 0.3500000 0.1337462), wk = 0.0037175 k( 213) = ( 0.3750000 0.3750000 0.1046827), wk = 0.0037175 k( 214) = ( 0.4000000 0.4000000 0.0756193), wk = 0.0037175 k( 215) = ( 0.4250000 0.4250000 0.0465558), wk = 0.0037175 k( 216) = ( 0.4500000 0.4500000 0.0174923), wk = 0.0037175 k( 217) = ( 0.4750000 0.4750000 -0.0115711), wk = 0.0037175 k( 218) = ( 0.5000000 0.5000000 -0.0406346), wk = 0.0037175 k( 219) = ( 0.5000000 0.5000000 -0.0406346), wk = 0.0037175 k( 220) = ( 0.5000000 0.5000000 -0.0521187), wk = 0.0037175 k( 221) = ( 0.5000000 0.5000000 -0.0636028), wk = 0.0037175 k( 222) = ( 0.5000000 0.5000000 -0.0750870), wk = 0.0037175 k( 223) = ( 0.5000000 0.5000000 -0.0865711), wk = 0.0037175 k( 224) = ( 0.5000000 0.5000000 -0.0980553), wk = 0.0037175 k( 225) = ( 0.5000000 0.5000000 -0.1095394), wk = 0.0037175 k( 226) = ( 0.5000000 0.5000000 -0.1210235), wk = 0.0037175 k( 227) = ( 0.5000000 0.5000000 -0.1325077), wk = 0.0037175 k( 228) = ( 0.5000000 0.5000000 -0.1439918), wk = 0.0037175 k( 229) = ( 0.5000000 0.5000000 -0.1554759), wk = 0.0037175 k( 230) = ( 0.5000000 0.5000000 -0.1669601), wk = 0.0037175 k( 231) = ( 0.5000000 0.5000000 -0.1784442), wk = 0.0037175 k( 232) = ( 0.5000000 0.5000000 -0.1899283), wk = 0.0037175 k( 233) = ( 0.5000000 0.5000000 -0.2014125), wk = 0.0037175 k( 234) = ( 0.5000000 0.5000000 -0.2128966), wk = 0.0037175 k( 235) = ( 0.5000000 0.5000000 -0.2243807), wk = 0.0037175 k( 236) = ( 0.5000000 0.5000000 -0.2358649), wk = 0.0037175 k( 237) = ( 0.5000000 0.5000000 -0.2473490), wk = 0.0037175 k( 238) = ( 0.5000000 0.5000000 -0.2588332), wk = 0.0037175 k( 239) = ( 0.5000000 0.5000000 -0.2703173), wk = 0.0037175 k( 240) = ( 0.5000000 0.5000000 -0.2818014), wk = 0.0037175 k( 241) = ( 0.5000000 0.5000000 -0.2932856), wk = 0.0037175 k( 242) = ( 0.5000000 0.5000000 -0.3047697), wk = 0.0037175 k( 243) = ( 0.5000000 0.5000000 -0.3162538), wk = 0.0037175 k( 244) = ( 0.5000000 0.5000000 -0.3277380), wk = 0.0037175 k( 245) = ( 0.5000000 0.5000000 -0.3392221), wk = 0.0037175 k( 246) = ( 0.5000000 0.5000000 -0.3507062), wk = 0.0037175 k( 247) = ( 0.5000000 0.5000000 -0.3621904), wk = 0.0037175 k( 248) = ( 0.5000000 0.5000000 -0.3736745), wk = 0.0037175 k( 249) = ( 0.5000000 0.5000000 -0.3851586), wk = 0.0037175 k( 250) = ( 0.5000000 0.5000000 -0.3966428), wk = 0.0037175 k( 251) = ( 0.5000000 0.5000000 -0.4081269), wk = 0.0037175 k( 252) = ( 0.5000000 0.5000000 -0.4196110), wk = 0.0037175 k( 253) = ( 0.5000000 0.5000000 -0.4310952), wk = 0.0037175 k( 254) = ( 0.5000000 0.5000000 -0.4425793), wk = 0.0037175 k( 255) = ( 0.5000000 0.5000000 -0.4540635), wk = 0.0037175 k( 256) = ( 0.5000000 0.5000000 -0.4655476), wk = 0.0037175 k( 257) = ( 0.5000000 0.5000000 -0.4770317), wk = 0.0037175 k( 258) = ( 0.5000000 0.5000000 -0.4885159), wk = 0.0037175 k( 259) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0037175 k( 260) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037175 k( 261) = ( 0.0277778 0.0277778 0.4722222), wk = 0.0037175 k( 262) = ( 0.0555556 0.0555556 0.4444444), wk = 0.0037175 k( 263) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0037175 k( 264) = ( 0.1111111 0.1111111 0.3888889), wk = 0.0037175 k( 265) = ( 0.1388889 0.1388889 0.3611111), wk = 0.0037175 k( 266) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0037175 k( 267) = ( 0.1944444 0.1944444 0.3055556), wk = 0.0037175 k( 268) = ( 0.2222222 0.2222222 0.2777778), wk = 0.0037175 k( 269) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0037175 Dense grid: 156017 G-vectors FFT dimensions: ( 108, 108, 108) Smooth grid: 68939 G-vectors FFT dimensions: ( 80, 80, 80) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.26 Mb ( 250, 68) NL pseudopotentials 0.42 Mb ( 125, 222) Each V/rho on FFT grid 0.36 Mb ( 23328) Each G-vector array 0.02 Mb ( 2168) G-vector shells 0.01 Mb ( 1052) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.04 Mb ( 250, 272) Each subspace H/S matrix 0.03 Mb ( 45, 45) Each matrix 0.46 Mb ( 222, 2, 68) The potential is recalculated from file : ./Ba4Sb2O.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs + 4 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.5 secs Computing kpt #: 2 total cpu time spent up to now is 7.9 secs Computing kpt #: 3 total cpu time spent up to now is 10.3 secs Computing kpt #: 4 total cpu time spent up to now is 12.7 secs Computing kpt #: 5 total cpu time spent up to now is 15.1 secs Computing kpt #: 6 total cpu time spent up to now is 17.3 secs Computing kpt #: 7 total cpu time spent up to now is 19.5 secs Computing kpt #: 8 total cpu time spent up to now is 21.8 secs Computing kpt #: 9 total cpu time spent up to now is 24.2 secs Computing kpt #: 10 total cpu time spent up to now is 26.4 secs Computing kpt #: 11 total cpu time spent up to now is 28.6 secs Computing kpt #: 12 total cpu time spent up to now is 30.7 secs Computing kpt #: 13 total cpu time spent up to now is 33.0 secs Computing kpt #: 14 total cpu time spent up to now is 35.2 secs Computing kpt #: 15 total cpu time spent up to now is 37.6 secs Computing kpt #: 16 total cpu time spent up to now is 40.0 secs Computing kpt #: 17 total cpu time spent up to now is 42.4 secs Computing kpt #: 18 total cpu time spent up to now is 44.8 secs Computing kpt #: 19 total cpu time spent up to now is 47.0 secs Computing kpt #: 20 total cpu time spent up to now is 49.4 secs Computing kpt #: 21 total cpu time spent up to now is 51.7 secs Computing kpt #: 22 total cpu time spent up to now is 54.0 secs Computing kpt #: 23 total cpu time spent up to now is 56.3 secs Computing kpt #: 24 total cpu time spent up to now is 58.6 secs Computing kpt #: 25 total cpu time spent up to now is 61.0 secs Computing kpt #: 26 total cpu time spent up to now is 63.7 secs Computing kpt #: 27 total cpu time spent up to now is 66.5 secs Computing kpt #: 28 total cpu time spent up to now is 69.4 secs Computing kpt #: 29 total cpu time spent up to now is 71.5 secs Computing kpt #: 30 total cpu time spent up to now is 73.7 secs Computing kpt #: 31 total cpu time spent up to now is 75.9 secs Computing kpt #: 32 total cpu time spent up to now is 78.3 secs Computing kpt #: 33 total cpu time spent up to now is 80.6 secs Computing kpt #: 34 total cpu time spent up to now is 83.0 secs Computing kpt #: 35 total cpu time spent up to now is 85.4 secs Computing kpt #: 36 total cpu time spent up to now is 87.8 secs Computing kpt #: 37 total cpu time spent up to now is 90.1 secs Computing kpt #: 38 total cpu time spent up to now is 92.5 secs Computing kpt #: 39 total cpu time spent up to now is 94.7 secs Computing kpt #: 40 total cpu time spent up to now is 97.0 secs Computing kpt #: 41 total cpu time spent up to now is 99.1 secs Computing kpt #: 42 total cpu time spent up to now is 101.2 secs Computing kpt #: 43 total cpu time spent up to now is 103.3 secs Computing kpt #: 44 total cpu time spent up to now is 105.5 secs Computing kpt #: 45 total cpu time spent up to now is 107.6 secs Computing kpt #: 46 total cpu time spent up to now is 109.6 secs Computing kpt #: 47 total cpu time spent up to now is 111.7 secs Computing kpt #: 48 total cpu time spent up to now is 113.9 secs Computing kpt #: 49 total cpu time spent up to now is 116.1 secs Computing kpt #: 50 total cpu time spent up to now is 118.3 secs Computing kpt #: 51 total cpu time spent up to now is 120.6 secs Computing kpt #: 52 total cpu time spent up to now is 123.0 secs Computing kpt #: 53 total cpu time spent up to now is 125.3 secs Computing kpt #: 54 total cpu time spent up to now is 127.7 secs Computing kpt #: 55 total cpu time spent up to now is 130.2 secs Computing kpt #: 56 total cpu time spent up to now is 132.5 secs Computing kpt #: 57 total cpu time spent up to now is 134.9 secs Computing kpt #: 58 total cpu time spent up to now is 137.3 secs Computing kpt #: 59 total cpu time spent up to now is 139.7 secs Computing kpt #: 60 total cpu time spent up to now is 142.1 secs Computing kpt #: 61 total cpu time spent up to now is 144.8 secs Computing kpt #: 62 total cpu time spent up to now is 147.5 secs Computing kpt #: 63 total cpu time spent up to now is 150.3 secs Computing kpt #: 64 total cpu time spent up to now is 153.6 secs Computing kpt #: 65 total cpu time spent up to now is 156.3 secs Computing kpt #: 66 total cpu time spent up to now is 160.3 secs Computing kpt #: 67 total cpu time spent up to now is 163.3 secs Computing kpt #: 68 total cpu time spent up to now is 166.1 secs Computing kpt #: 69 total cpu time spent up to now is 169.0 secs Computing kpt #: 70 total cpu time spent up to now is 172.0 secs Computing kpt #: 71 total cpu time spent up to now is 175.1 secs Computing kpt #: 72 total cpu time spent up to now is 178.2 secs Computing kpt #: 73 total cpu time spent up to now is 181.3 secs Computing kpt #: 74 total cpu time spent up to now is 184.7 secs Computing kpt #: 75 total cpu time spent up to now is 188.1 secs Computing kpt #: 76 total cpu time spent up to now is 191.1 secs Computing kpt #: 77 total cpu time spent up to now is 193.9 secs Computing kpt #: 78 total cpu time spent up to now is 196.7 secs Computing kpt #: 79 total cpu time spent up to now is 199.5 secs Computing kpt #: 80 total cpu time spent up to now is 201.8 secs Computing kpt #: 81 total cpu time spent up to now is 204.1 secs Computing kpt #: 82 total cpu time spent up to now is 206.9 secs Computing kpt #: 83 total cpu time spent up to now is 209.6 secs Computing kpt #: 84 total cpu time spent up to now is 212.4 secs Computing kpt #: 85 total cpu time spent up to now is 215.1 secs Computing kpt #: 86 total cpu time spent up to now is 217.5 secs Computing kpt #: 87 total cpu time spent up to now is 219.8 secs Computing kpt #: 88 total cpu time spent up to now is 222.3 secs Computing kpt #: 89 total cpu time spent up to now is 225.0 secs Computing kpt #: 90 total cpu time spent up to now is 227.7 secs Computing kpt #: 91 total cpu time spent up to now is 229.9 secs Computing kpt #: 92 total cpu time spent up to now is 232.2 secs Computing kpt #: 93 total cpu time spent up to now is 234.6 secs Computing kpt #: 94 total cpu time spent up to now is 237.0 secs Computing kpt #: 95 total cpu time spent up to now is 239.4 secs Computing kpt #: 96 total cpu time spent up to now is 241.6 secs Computing kpt #: 97 total cpu time spent up to now is 243.8 secs Computing kpt #: 98 total cpu time spent up to now is 245.9 secs Computing kpt #: 99 total cpu time spent up to now is 248.0 secs Computing kpt #: 100 total cpu time spent up to now is 250.2 secs Computing kpt #: 101 total cpu time spent up to now is 252.0 secs Computing kpt #: 102 total cpu time spent up to now is 254.1 secs Computing kpt #: 103 total cpu time spent up to now is 255.9 secs Computing kpt #: 104 total cpu time spent up to now is 257.9 secs Computing kpt #: 105 total cpu time spent up to now is 259.8 secs Computing kpt #: 106 total cpu time spent up to now is 262.0 secs Computing kpt #: 107 total cpu time spent up to now is 264.1 secs Computing kpt #: 108 total cpu time spent up to now is 266.3 secs Computing kpt #: 109 total cpu time spent up to now is 268.4 secs Computing kpt #: 110 total cpu time spent up to now is 270.7 secs Computing kpt #: 111 total cpu time spent up to now is 273.0 secs Computing kpt #: 112 total cpu time spent up to now is 275.5 secs Computing kpt #: 113 total cpu time spent up to now is 277.8 secs Computing kpt #: 114 total cpu time spent up to now is 280.2 secs Computing kpt #: 115 total cpu time spent up to now is 282.3 secs Computing kpt #: 116 total cpu time spent up to now is 284.4 secs Computing kpt #: 117 total cpu time spent up to now is 286.6 secs Computing kpt #: 118 total cpu time spent up to now is 288.7 secs Computing kpt #: 119 total cpu time spent up to now is 290.8 secs Computing kpt #: 120 total cpu time spent up to now is 292.9 secs Computing kpt #: 121 total cpu time spent up to now is 295.0 secs Computing kpt #: 122 total cpu time spent up to now is 297.1 secs Computing kpt #: 123 total cpu time spent up to now is 299.3 secs Computing kpt #: 124 total cpu time spent up to now is 301.5 secs Computing kpt #: 125 total cpu time spent up to now is 303.6 secs Computing kpt #: 126 total cpu time spent up to now is 305.7 secs Computing kpt #: 127 total cpu time spent up to now is 308.0 secs Computing kpt #: 128 total cpu time spent up to now is 310.2 secs Computing kpt #: 129 total cpu time spent up to now is 312.5 secs Computing kpt #: 130 total cpu time spent up to now is 314.7 secs Computing kpt #: 131 total cpu time spent up to now is 317.1 secs Computing kpt #: 132 total cpu time spent up to now is 319.4 secs Computing kpt #: 133 total cpu time spent up to now is 321.6 secs Computing kpt #: 134 total cpu time spent up to now is 323.9 secs Computing kpt #: 135 total cpu time spent up to now is 326.3 secs Computing kpt #: 136 total cpu time spent up to now is 328.8 secs Computing kpt #: 137 total cpu time spent up to now is 331.3 secs Computing kpt #: 138 total cpu time spent up to now is 334.1 secs Computing kpt #: 139 total cpu time spent up to now is 336.9 secs Computing kpt #: 140 total cpu time spent up to now is 339.7 secs Computing kpt #: 141 total cpu time spent up to now is 342.3 secs Computing kpt #: 142 total cpu time spent up to now is 344.8 secs Computing kpt #: 143 total cpu time spent up to now is 347.3 secs Computing kpt #: 144 total cpu time spent up to now is 349.5 secs Computing kpt #: 145 total cpu time spent up to now is 351.8 secs Computing kpt #: 146 total cpu time spent up to now is 354.0 secs Computing kpt #: 147 total cpu time spent up to now is 356.2 secs Computing kpt #: 148 total cpu time spent up to now is 358.3 secs Computing kpt #: 149 total cpu time spent up to now is 360.4 secs Computing kpt #: 150 total cpu time spent up to now is 362.5 secs Computing kpt #: 151 total cpu time spent up to now is 364.6 secs Computing kpt #: 152 total cpu time spent up to now is 366.9 secs Computing kpt #: 153 total cpu time spent up to now is 369.2 secs Computing kpt #: 154 total cpu time spent up to now is 371.7 secs Computing kpt #: 155 total cpu time spent up to now is 374.2 secs Computing kpt #: 156 total cpu time spent up to now is 376.7 secs Computing kpt #: 157 total cpu time spent up to now is 379.6 secs Computing kpt #: 158 total cpu time spent up to now is 382.4 secs Computing kpt #: 159 total cpu time spent up to now is 385.0 secs Computing kpt #: 160 total cpu time spent up to now is 387.5 secs Computing kpt #: 161 total cpu time spent up to now is 389.9 secs Computing kpt #: 162 total cpu time spent up to now is 392.3 secs Computing kpt #: 163 total cpu time spent up to now is 394.7 secs Computing kpt #: 164 total cpu time spent up to now is 396.9 secs Computing kpt #: 165 total cpu time spent up to now is 399.4 secs Computing kpt #: 166 total cpu time spent up to now is 401.8 secs Computing kpt #: 167 total cpu time spent up to now is 404.2 secs Computing kpt #: 168 total cpu time spent up to now is 406.7 secs Computing kpt #: 169 total cpu time spent up to now is 409.2 secs Computing kpt #: 170 total cpu time spent up to now is 411.6 secs Computing kpt #: 171 total cpu time spent up to now is 414.0 secs Computing kpt #: 172 total cpu time spent up to now is 416.5 secs Computing kpt #: 173 total cpu time spent up to now is 418.9 secs Computing kpt #: 174 total cpu time spent up to now is 421.3 secs Computing kpt #: 175 total cpu time spent up to now is 423.6 secs Computing kpt #: 176 total cpu time spent up to now is 426.0 secs Computing kpt #: 177 total cpu time spent up to now is 428.4 secs Computing kpt #: 178 total cpu time spent up to now is 430.8 secs Computing kpt #: 179 total cpu time spent up to now is 433.3 secs Computing kpt #: 180 total cpu time spent up to now is 435.7 secs Computing kpt #: 181 total cpu time spent up to now is 438.1 secs Computing kpt #: 182 total cpu time spent up to now is 440.5 secs Computing kpt #: 183 total cpu time spent up to now is 442.9 secs Computing kpt #: 184 total cpu time spent up to now is 445.8 secs Computing kpt #: 185 total cpu time spent up to now is 448.6 secs Computing kpt #: 186 total cpu time spent up to now is 451.1 secs Computing kpt #: 187 total cpu time spent up to now is 453.5 secs Computing kpt #: 188 total cpu time spent up to now is 455.9 secs Computing kpt #: 189 total cpu time spent up to now is 458.3 secs Computing kpt #: 190 total cpu time spent up to now is 460.7 secs Computing kpt #: 191 total cpu time spent up to now is 463.1 secs Computing kpt #: 192 total cpu time spent up to now is 465.5 secs Computing kpt #: 193 total cpu time spent up to now is 467.9 secs Computing kpt #: 194 total cpu time spent up to now is 470.7 secs Computing kpt #: 195 total cpu time spent up to now is 473.4 secs Computing kpt #: 196 total cpu time spent up to now is 476.3 secs Computing kpt #: 197 total cpu time spent up to now is 479.7 secs Computing kpt #: 198 total cpu time spent up to now is 482.4 secs Computing kpt #: 199 total cpu time spent up to now is 484.8 secs Computing kpt #: 200 total cpu time spent up to now is 487.1 secs Computing kpt #: 201 total cpu time spent up to now is 489.3 secs Computing kpt #: 202 total cpu time spent up to now is 491.4 secs Computing kpt #: 203 total cpu time spent up to now is 493.6 secs Computing kpt #: 204 total cpu time spent up to now is 495.8 secs Computing kpt #: 205 total cpu time spent up to now is 498.0 secs Computing kpt #: 206 total cpu time spent up to now is 500.1 secs Computing kpt #: 207 total cpu time spent up to now is 502.4 secs Computing kpt #: 208 total cpu time spent up to now is 504.6 secs Computing kpt #: 209 total cpu time spent up to now is 506.7 secs Computing kpt #: 210 total cpu time spent up to now is 508.9 secs Computing kpt #: 211 total cpu time spent up to now is 511.1 secs Computing kpt #: 212 total cpu time spent up to now is 513.1 secs Computing kpt #: 213 total cpu time spent up to now is 515.3 secs Computing kpt #: 214 total cpu time spent up to now is 517.4 secs Computing kpt #: 215 total cpu time spent up to now is 519.6 secs Computing kpt #: 216 total cpu time spent up to now is 521.9 secs Computing kpt #: 217 total cpu time spent up to now is 524.3 secs Computing kpt #: 218 total cpu time spent up to now is 526.7 secs Computing kpt #: 219 total cpu time spent up to now is 529.1 secs Computing kpt #: 220 total cpu time spent up to now is 531.5 secs Computing kpt #: 221 total cpu time spent up to now is 533.9 secs Computing kpt #: 222 total cpu time spent up to now is 536.4 secs Computing kpt #: 223 total cpu time spent up to now is 538.7 secs Computing kpt #: 224 total cpu time spent up to now is 541.1 secs Computing kpt #: 225 total cpu time spent up to now is 543.4 secs Computing kpt #: 226 total cpu time spent up to now is 545.6 secs Computing kpt #: 227 total cpu time spent up to now is 547.8 secs Computing kpt #: 228 total cpu time spent up to now is 550.1 secs Computing kpt #: 229 total cpu time spent up to now is 552.2 secs Computing kpt #: 230 total cpu time spent up to now is 554.7 secs Computing kpt #: 231 total cpu time spent up to now is 557.5 secs Computing kpt #: 232 total cpu time spent up to now is 561.1 secs Computing kpt #: 233 total cpu time spent up to now is 563.8 secs Computing kpt #: 234 total cpu time spent up to now is 566.2 secs Computing kpt #: 235 total cpu time spent up to now is 568.6 secs Computing kpt #: 236 total cpu time spent up to now is 570.9 secs Computing kpt #: 237 total cpu time spent up to now is 573.1 secs Computing kpt #: 238 total cpu time spent up to now is 575.5 secs Computing kpt #: 239 total cpu time spent up to now is 578.0 secs Computing kpt #: 240 total cpu time spent up to now is 580.7 secs Computing kpt #: 241 total cpu time spent up to now is 583.5 secs Computing kpt #: 242 total cpu time spent up to now is 585.8 secs Computing kpt #: 243 total cpu time spent up to now is 588.1 secs Computing kpt #: 244 total cpu time spent up to now is 590.5 secs Computing kpt #: 245 total cpu time spent up to now is 592.8 secs Computing kpt #: 246 total cpu time spent up to now is 595.1 secs Computing kpt #: 247 total cpu time spent up to now is 597.3 secs Computing kpt #: 248 total cpu time spent up to now is 599.5 secs Computing kpt #: 249 total cpu time spent up to now is 601.7 secs Computing kpt #: 250 total cpu time spent up to now is 604.0 secs Computing kpt #: 251 total cpu time spent up to now is 606.3 secs Computing kpt #: 252 total cpu time spent up to now is 608.7 secs Computing kpt #: 253 total cpu time spent up to now is 611.1 secs Computing kpt #: 254 total cpu time spent up to now is 613.6 secs Computing kpt #: 255 total cpu time spent up to now is 616.2 secs Computing kpt #: 256 total cpu time spent up to now is 619.0 secs Computing kpt #: 257 total cpu time spent up to now is 621.4 secs Computing kpt #: 258 total cpu time spent up to now is 623.9 secs Computing kpt #: 259 total cpu time spent up to now is 626.1 secs Computing kpt #: 260 total cpu time spent up to now is 628.4 secs Computing kpt #: 261 total cpu time spent up to now is 630.5 secs Computing kpt #: 262 total cpu time spent up to now is 632.8 secs Computing kpt #: 263 total cpu time spent up to now is 635.1 secs Computing kpt #: 264 total cpu time spent up to now is 637.3 secs Computing kpt #: 265 total cpu time spent up to now is 639.4 secs Computing kpt #: 266 total cpu time spent up to now is 641.5 secs Computing kpt #: 267 total cpu time spent up to now is 643.6 secs Computing kpt #: 268 total cpu time spent up to now is 645.7 secs Computing kpt #: 269 total cpu time spent up to now is 647.9 secs ethr = 1.79E-08, avg # of iterations = 34.0 total cpu time spent up to now is 647.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8613 PWs) bands (ev): -19.8651 -19.8651 -19.8362 -19.8362 -19.4024 -19.4024 -19.0419 -19.0419 -9.0206 -9.0206 -6.5217 -6.5217 -6.5192 -6.5192 -6.4198 -6.4198 -5.8108 -5.8108 -4.8605 -4.8605 -4.5506 -4.5506 -4.5307 -4.5307 -4.5138 -4.5138 -4.4058 -4.4058 -4.0382 -4.0382 -3.8425 -3.8425 -3.4200 -3.4200 -0.1230 -0.1230 0.4392 0.4392 5.3055 5.3055 5.8103 5.8103 6.5365 6.5365 6.5797 6.5797 6.9853 6.9853 7.2956 7.2956 7.4191 7.4191 7.9472 7.9472 8.0485 8.0485 8.8818 8.8818 8.9995 8.9995 9.2248 9.2248 9.5724 9.5724 9.6057 9.6057 9.6600 9.6600 k = 0.0000 0.0000 0.0304 ( 8603 PWs) bands (ev): -19.8651 -19.8651 -19.8362 -19.8362 -19.4022 -19.4022 -19.0421 -19.0421 -9.0220 -9.0220 -6.5225 -6.5225 -6.5185 -6.5185 -6.4186 -6.4186 -5.8107 -5.8107 -4.8591 -4.8591 -4.5507 -4.5507 -4.5319 -4.5319 -4.5127 -4.5127 -4.4060 -4.4060 -4.0381 -4.0381 -3.8426 -3.8426 -3.4206 -3.4206 -0.1216 -0.1216 0.4394 0.4394 5.3046 5.3046 5.8121 5.8121 6.5335 6.5335 6.5767 6.5767 6.9831 6.9831 7.2898 7.2898 7.4210 7.4210 7.9442 7.9442 8.0401 8.0401 8.8816 8.8816 9.0045 9.0045 9.2323 9.2323 9.5728 9.5728 9.6058 9.6058 9.6600 9.6600 k = 0.0000 0.0000 0.0608 ( 8595 PWs) bands (ev): -19.8650 -19.8650 -19.8362 -19.8362 -19.4015 -19.4015 -19.0428 -19.0428 -9.0262 -9.0262 -6.5240 -6.5240 -6.5174 -6.5174 -6.4151 -6.4151 -5.8105 -5.8105 -4.8548 -4.8548 -4.5510 -4.5510 -4.5349 -4.5349 -4.5102 -4.5102 -4.4064 -4.4064 -4.0376 -4.0376 -3.8430 -3.8430 -3.4222 -3.4222 -0.1175 -0.1175 0.4399 0.4399 5.3021 5.3021 5.8175 5.8175 6.5247 6.5247 6.5679 6.5679 6.9763 6.9763 7.2750 7.2750 7.4242 7.4242 7.9352 7.9352 8.0159 8.0159 8.8810 8.8810 9.0191 9.0191 9.2547 9.2547 9.5725 9.5725 9.6060 9.6060 9.6622 9.6622 k = 0.0000 0.0000 0.0912 ( 8591 PWs) bands (ev): -19.8648 -19.8648 -19.8363 -19.8363 -19.4003 -19.4003 -19.0439 -19.0439 -9.0331 -9.0331 -6.5256 -6.5256 -6.5162 -6.5162 -6.4092 -6.4092 -5.8101 -5.8101 -4.8478 -4.8478 -4.5514 -4.5514 -4.5388 -4.5388 -4.5070 -4.5070 -4.4072 -4.4072 -4.0369 -4.0369 -3.8436 -3.8436 -3.4247 -3.4247 -0.1107 -0.1107 0.4407 0.4407 5.2979 5.2979 5.8264 5.8264 6.5099 6.5099 6.5535 6.5535 6.9645 6.9645 7.2557 7.2557 7.4239 7.4239 7.9199 7.9199 7.9801 7.9801 8.8803 8.8803 9.0424 9.0424 9.2908 9.2908 9.5683 9.5683 9.6062 9.6062 9.6715 9.6715 k = 0.0000 0.0000 0.1216 ( 8591 PWs) bands (ev): -19.8646 -19.8646 -19.8363 -19.8363 -19.3987 -19.3987 -19.0454 -19.0454 -9.0428 -9.0428 -6.5273 -6.5273 -6.5151 -6.5151 -6.4012 -6.4012 -5.8096 -5.8096 -4.8381 -4.8381 -4.5522 -4.5522 -4.5430 -4.5430 -4.5037 -4.5037 -4.4082 -4.4082 -4.0359 -4.0359 -3.8446 -3.8446 -3.4281 -3.4281 -0.1013 -0.1013 0.4417 0.4417 5.2921 5.2921 5.8388 5.8388 6.4891 6.4891 6.5336 6.5336 6.9477 6.9477 7.2355 7.2355 7.4161 7.4161 7.8940 7.8940 7.9415 7.9415 8.8799 8.8799 9.0733 9.0733 9.3390 9.3390 9.5593 9.5593 9.6067 9.6067 9.6910 9.6910 k = 0.0000 0.0000 0.1520 ( 8599 PWs) bands (ev): -19.8644 -19.8644 -19.8364 -19.8364 -19.3966 -19.3966 -19.0473 -19.0473 -9.0550 -9.0550 -6.5290 -6.5290 -6.5142 -6.5142 -6.3912 -6.3912 -5.8089 -5.8089 -4.8257 -4.8257 -4.5537 -4.5537 -4.5469 -4.5469 -4.5003 -4.5003 -4.4095 -4.4095 -4.0346 -4.0346 -3.8457 -3.8457 -3.4322 -3.4322 -0.0894 -0.0894 0.4430 0.4430 5.2847 5.2847 5.8545 5.8545 6.4624 6.4624 6.5087 6.5087 6.9256 6.9256 7.2164 7.2164 7.3988 7.3988 7.8493 7.8493 7.9130 7.9130 8.8802 8.8802 9.1108 9.1108 9.3976 9.3976 9.5484 9.5484 9.6077 9.6077 9.7200 9.7200 k = 0.0000 0.0000 0.1823 ( 8603 PWs) bands (ev): -19.8640 -19.8640 -19.8364 -19.8364 -19.3941 -19.3941 -19.0497 -19.0497 -9.0697 -9.0697 -6.5307 -6.5307 -6.5134 -6.5134 -6.3794 -6.3794 -5.8080 -5.8080 -4.8108 -4.8108 -4.5568 -4.5568 -4.5496 -4.5496 -4.4972 -4.4972 -4.4109 -4.4109 -4.0330 -4.0330 -3.8471 -3.8471 -3.4369 -3.4369 -0.0752 -0.0752 0.4444 0.4444 5.2757 5.2757 5.8734 5.8734 6.4298 6.4298 6.4792 6.4792 6.8989 6.8989 7.1990 7.1990 7.3713 7.3713 7.7917 7.7917 7.8918 7.8918 8.8818 8.8818 9.1540 9.1540 9.4648 9.4648 9.5398 9.5398 9.6094 9.6094 9.7570 9.7570 k = 0.0000 0.0000 0.2127 ( 8603 PWs) bands (ev): -19.8636 -19.8636 -19.8365 -19.8365 -19.3911 -19.3911 -19.0524 -19.0524 -9.0867 -9.0867 -6.5323 -6.5323 -6.5127 -6.5127 -6.3660 -6.3660 -5.8069 -5.8069 -4.7935 -4.7935 -4.5613 -4.5613 -4.5511 -4.5511 -4.4942 -4.4942 -4.4125 -4.4125 -4.0312 -4.0312 -3.8487 -3.8487 -3.4418 -3.4418 -0.0588 -0.0588 0.4457 0.4457 5.2652 5.2652 5.8953 5.8953 6.3914 6.3914 6.4452 6.4452 6.8683 6.8683 7.1825 7.1825 7.3352 7.3352 7.7297 7.7297 7.8720 7.8720 8.8849 8.8849 9.2023 9.2023 9.5268 9.5268 9.5490 9.5490 9.6120 9.6120 9.8005 9.8005 k = 0.0000 0.0000 0.2431 ( 8603 PWs) bands (ev): -19.8632 -19.8632 -19.8366 -19.8366 -19.3878 -19.3878 -19.0555 -19.0555 -9.1059 -9.1059 -6.5338 -6.5338 -6.5121 -6.5121 -6.3511 -6.3511 -5.8056 -5.8056 -4.7741 -4.7741 -4.5665 -4.5665 -4.5521 -4.5521 -4.4915 -4.4915 -4.4142 -4.4142 -4.0292 -4.0292 -3.8504 -3.8504 -3.4467 -3.4467 -0.0403 -0.0403 0.4470 0.4470 5.2533 5.2533 5.9201 5.9201 6.3477 6.3477 6.4072 6.4072 6.8351 6.8351 7.1640 7.1640 7.2944 7.2944 7.6666 7.6666 7.8511 7.8511 8.8900 8.8900 9.2550 9.2550 9.5356 9.5356 9.6160 9.6160 9.6248 9.6248 9.8496 9.8496 k = 0.0000 0.0000 0.2735 ( 8609 PWs) bands (ev): -19.8627 -19.8627 -19.8368 -19.8368 -19.3840 -19.3840 -19.0590 -19.0590 -9.1271 -9.1271 -6.5353 -6.5353 -6.5116 -6.5116 -6.3351 -6.3351 -5.8040 -5.8040 -4.7527 -4.7527 -4.5720 -4.5720 -4.5528 -4.5528 -4.4890 -4.4890 -4.4158 -4.4158 -4.0269 -4.0269 -3.8522 -3.8522 -3.4515 -3.4515 -0.0201 -0.0201 0.4482 0.4482 5.2400 5.2400 5.9474 5.9474 6.2990 6.2990 6.3653 6.3653 6.8005 6.8005 7.1379 7.1379 7.2561 7.2561 7.6042 7.6042 7.8276 7.8276 8.8974 8.8974 9.3111 9.3111 9.5474 9.5474 9.6222 9.6222 9.7114 9.7114 9.9036 9.9036 k = 0.0000 0.0000 0.3039 ( 8597 PWs) bands (ev): -19.8621 -19.8621 -19.8369 -19.8369 -19.3799 -19.3799 -19.0628 -19.0628 -9.1502 -9.1502 -6.5366 -6.5366 -6.5113 -6.5113 -6.3183 -6.3183 -5.8020 -5.8020 -4.7298 -4.7298 -4.5775 -4.5775 -4.5535 -4.5535 -4.4869 -4.4869 -4.4175 -4.4175 -4.0244 -4.0244 -3.8539 -3.8539 -3.4558 -3.4558 0.0016 0.0016 0.4489 0.4489 5.2254 5.2254 5.9769 5.9769 6.2457 6.2457 6.3198 6.3198 6.7657 6.7657 7.0976 7.0976 7.2285 7.2285 7.5432 7.5432 7.8011 7.8011 8.9072 8.9072 9.3690 9.3690 9.5676 9.5676 9.6316 9.6316 9.8028 9.8028 9.9619 9.9619 k = 0.0000 0.0000 0.3343 ( 8615 PWs) bands (ev): -19.8616 -19.8616 -19.8370 -19.8370 -19.3753 -19.3753 -19.0670 -19.0670 -9.1750 -9.1750 -6.5379 -6.5379 -6.5111 -6.5111 -6.3008 -6.3008 -5.7995 -5.7995 -4.7059 -4.7059 -4.5829 -4.5829 -4.5541 -4.5541 -4.4850 -4.4850 -4.4189 -4.4189 -4.0216 -4.0216 -3.8554 -3.8554 -3.4596 -3.4596 0.0247 0.0247 0.4493 0.4493 5.2096 5.2096 6.0081 6.0081 6.1883 6.1883 6.2713 6.2713 6.7317 6.7317 7.0437 7.0437 7.2127 7.2127 7.4840 7.4840 7.7713 7.7713 8.9195 8.9195 9.4263 9.4263 9.5964 9.5964 9.6466 9.6466 9.8977 9.8977 10.0242 10.0242 k = 0.0000 0.0000 0.3647 ( 8615 PWs) bands (ev): -19.8609 -19.8609 -19.8372 -19.8372 -19.3704 -19.3704 -19.0714 -19.0714 -9.2012 -9.2012 -6.5392 -6.5392 -6.5110 -6.5110 -6.2831 -6.2831 -5.7966 -5.7966 -4.6817 -4.6817 -4.5875 -4.5875 -4.5546 -4.5546 -4.4834 -4.4834 -4.4201 -4.4201 -4.0186 -4.0186 -3.8565 -3.8565 -3.4625 -3.4625 0.0489 0.0489 0.4490 0.4490 5.1927 5.1927 6.0398 6.0398 6.1274 6.1274 6.2208 6.2208 6.6994 6.6994 6.9823 6.9823 7.2041 7.2041 7.4266 7.4266 7.7383 7.7383 8.9344 8.9344 9.4787 9.4787 9.6331 9.6331 9.6708 9.6708 9.9953 9.9953 10.0902 10.0902 k = 0.0000 0.0000 0.3951 ( 8607 PWs) bands (ev): -19.8603 -19.8603 -19.8373 -19.8373 -19.3652 -19.3652 -19.0761 -19.0761 -9.2287 -9.2287 -6.5403 -6.5403 -6.5110 -6.5110 -6.2655 -6.2655 -5.7929 -5.7929 -4.6589 -4.6589 -4.5904 -4.5904 -4.5551 -4.5551 -4.4819 -4.4819 -4.4210 -4.4210 -4.0153 -4.0153 -3.8569 -3.8569 -3.4644 -3.4644 0.0738 0.0738 0.4481 0.4481 5.1748 5.1748 6.0600 6.0600 6.0713 6.0713 6.1723 6.1723 6.6695 6.6695 6.9182 6.9182 7.1994 7.1994 7.3710 7.3710 7.7026 7.7026 8.9518 8.9518 9.5212 9.5212 9.6771 9.6771 9.7086 9.7086 10.0941 10.0941 10.1603 10.1603 k = 0.0000 0.0000 0.4255 ( 8603 PWs) bands (ev): -19.8596 -19.8596 -19.8375 -19.8375 -19.3597 -19.3597 -19.0811 -19.0811 -9.2573 -9.2573 -6.5413 -6.5413 -6.5111 -6.5111 -6.2484 -6.2484 -5.7885 -5.7885 -4.6414 -4.6414 -4.5883 -4.5883 -4.5554 -4.5554 -4.4803 -4.4803 -4.4214 -4.4214 -4.0116 -4.0116 -3.8565 -3.8565 -3.4652 -3.4652 0.0993 0.0993 0.4463 0.4463 5.1560 5.1560 5.9956 5.9956 6.0697 6.0697 6.1495 6.1495 6.6429 6.6429 6.8540 6.8540 7.1969 7.1969 7.3174 7.3174 7.6649 7.6649 8.9715 8.9715 9.5518 9.5518 9.7273 9.7273 9.7606 9.7606 10.1913 10.1913 10.2363 10.2363 k = 0.0000 0.0000 0.4559 ( 8611 PWs) bands (ev): -19.8589 -19.8589 -19.8377 -19.8377 -19.3539 -19.3539 -19.0863 -19.0863 -9.2869 -9.2869 -6.5423 -6.5423 -6.5114 -6.5114 -6.2321 -6.2321 -5.7831 -5.7831 -4.6338 -4.6338 -4.5775 -4.5775 -4.5555 -4.5555 -4.4783 -4.4783 -4.4211 -4.4211 -4.0073 -4.0073 -3.8549 -3.8549 -3.4649 -3.4649 0.1251 0.1251 0.4436 0.4436 5.1364 5.1364 5.9265 5.9265 6.0240 6.0240 6.1717 6.1717 6.6201 6.6201 6.7917 6.7917 7.1954 7.1954 7.2660 7.2660 7.6257 7.6257 8.9935 8.9935 9.5734 9.5734 9.7826 9.7826 9.8226 9.8226 10.2809 10.2809 10.3231 10.3231 k = 0.0000 0.0000 0.4863 ( 8595 PWs) bands (ev): -19.8581 -19.8581 -19.8379 -19.8379 -19.3479 -19.3479 -19.0917 -19.0917 -9.3172 -9.3172 -6.5431 -6.5431 -6.5118 -6.5118 -6.2169 -6.2169 -5.7766 -5.7766 -4.6345 -4.6345 -4.5617 -4.5617 -4.5550 -4.5550 -4.4750 -4.4750 -4.4199 -4.4199 -4.0023 -4.0023 -3.8520 -3.8520 -3.4633 -3.4633 0.1510 0.1510 0.4398 0.4398 5.1160 5.1160 5.8556 5.8556 5.9636 5.9636 6.2065 6.2065 6.6017 6.6017 6.7325 6.7325 7.1927 7.1927 7.2185 7.2185 7.5856 7.5856 9.0174 9.0174 9.5902 9.5902 9.8417 9.8417 9.8891 9.8891 10.3624 10.3624 10.4203 10.4203 k = 0.0000 0.0000 0.5166 ( 8605 PWs) bands (ev): -19.8573 -19.8573 -19.8381 -19.8381 -19.3416 -19.3416 -19.0973 -19.0973 -9.3481 -9.3481 -6.5439 -6.5439 -6.5122 -6.5122 -6.2033 -6.2033 -5.7689 -5.7689 -4.6388 -4.6388 -4.5563 -4.5563 -4.5447 -4.5447 -4.4698 -4.4698 -4.4171 -4.4171 -3.9960 -3.9960 -3.8475 -3.8475 -3.4605 -3.4605 0.1766 0.1766 0.4349 0.4349 5.0951 5.0951 5.7832 5.7832 5.8986 5.8986 6.2439 6.2439 6.5879 6.5879 6.6778 6.6778 7.1635 7.1635 7.2000 7.2000 7.5452 7.5452 9.0430 9.0430 9.6046 9.6046 9.9031 9.9031 9.9555 9.9555 10.4414 10.4414 10.5212 10.5212 k = 0.0000 0.0000 0.5470 ( 8593 PWs) bands (ev): -19.8566 -19.8566 -19.8382 -19.8382 -19.3352 -19.3352 -19.1030 -19.1030 -9.3794 -9.3794 -6.5445 -6.5445 -6.5128 -6.5128 -6.1914 -6.1914 -5.7598 -5.7598 -4.6446 -4.6446 -4.5560 -4.5560 -4.5337 -4.5337 -4.4626 -4.4626 -4.4119 -4.4119 -3.9882 -3.9882 -3.8413 -3.8413 -3.4565 -3.4565 0.2018 0.2018 0.4288 0.4288 5.0737 5.0737 5.7098 5.7098 5.8307 5.8307 6.2814 6.2814 6.5776 6.5776 6.6304 6.6304 7.1185 7.1185 7.1997 7.1997 7.5050 7.5050 9.0700 9.0700 9.6180 9.6180 9.9657 9.9657 10.0180 10.0180 10.5205 10.5205 10.6219 10.6219 k = 0.0000 0.0000 0.5774 ( 8597 PWs) bands (ev): -19.8558 -19.8558 -19.8384 -19.8384 -19.3286 -19.3286 -19.1088 -19.1088 -9.4109 -9.4109 -6.5451 -6.5451 -6.5135 -6.5135 -6.1816 -6.1816 -5.7494 -5.7494 -4.6511 -4.6511 -4.5557 -4.5557 -4.5275 -4.5275 -4.4553 -4.4553 -4.4030 -4.4030 -3.9784 -3.9784 -3.8334 -3.8334 -3.4513 -3.4513 0.2263 0.2263 0.4215 0.4215 5.0520 5.0520 5.6358 5.6358 5.7609 5.7609 6.3174 6.3174 6.5601 6.5601 6.6023 6.6023 7.0743 7.0743 7.2007 7.2007 7.4654 7.4654 9.0979 9.0979 9.6308 9.6308 10.0282 10.0282 10.0733 10.0733 10.6003 10.6003 10.7201 10.7201 k = 0.0000 0.0000 0.6078 ( 8617 PWs) bands (ev): -19.8550 -19.8550 -19.8386 -19.8386 -19.3218 -19.3218 -19.1146 -19.1146 -9.4425 -9.4425 -6.5455 -6.5455 -6.5143 -6.5143 -6.1738 -6.1738 -5.7377 -5.7377 -4.6579 -4.6579 -4.5554 -4.5554 -4.5251 -4.5251 -4.4499 -4.4499 -4.3905 -4.3905 -3.9663 -3.9663 -3.8236 -3.8236 -3.4449 -3.4449 0.2499 0.2499 0.4129 0.4129 5.0300 5.0300 5.5616 5.5616 5.6894 5.6894 6.3508 6.3508 6.5276 6.5276 6.6029 6.6029 7.0318 7.0318 7.2020 7.2020 7.4270 7.4270 9.1266 9.1266 9.6431 9.6431 10.0887 10.0887 10.1190 10.1190 10.6810 10.6810 10.8139 10.8139 k = 0.0000 0.0000 0.6382 ( 8629 PWs) bands (ev): -19.8541 -19.8541 -19.8389 -19.8389 -19.3150 -19.3150 -19.1206 -19.1206 -9.4740 -9.4740 -6.5459 -6.5459 -6.5151 -6.5151 -6.1683 -6.1683 -5.7246 -5.7246 -4.6648 -4.6648 -4.5550 -4.5550 -4.5250 -4.5250 -4.4469 -4.4469 -4.3761 -4.3761 -3.9515 -3.9515 -3.8118 -3.8118 -3.4374 -3.4374 0.2725 0.2725 0.4031 0.4031 5.0078 5.0078 5.4876 5.4876 5.6168 5.6168 6.3797 6.3797 6.4962 6.4962 6.6180 6.6180 6.9913 6.9913 7.2031 7.2031 7.3902 7.3902 9.1554 9.1554 9.6545 9.6545 10.1394 10.1394 10.1602 10.1602 10.7625 10.7625 10.9003 10.9003 k = 0.0000 0.0000 0.6686 ( 8625 PWs) bands (ev): -19.8533 -19.8533 -19.8391 -19.8391 -19.3081 -19.3081 -19.1265 -19.1265 -9.5053 -9.5053 -6.5462 -6.5462 -6.5160 -6.5160 -6.1650 -6.1650 -5.7105 -5.7105 -4.6716 -4.6716 -4.5546 -4.5546 -4.5262 -4.5262 -4.4455 -4.4455 -4.3617 -4.3617 -3.9342 -3.9342 -3.7980 -3.7980 -3.4289 -3.4289 0.2937 0.2937 0.3923 0.3923 4.9855 4.9855 5.4140 5.4140 5.5434 5.5434 6.4001 6.4001 6.4749 6.4749 6.6424 6.6424 6.9529 6.9529 7.2035 7.2035 7.3558 7.3558 9.1842 9.1842 9.6643 9.6643 10.1632 10.1632 10.2123 10.2123 10.8445 10.8445 10.9759 10.9759 k = 0.0000 0.0000 0.6990 ( 8627 PWs) bands (ev): -19.8525 -19.8525 -19.8393 -19.8393 -19.3011 -19.3011 -19.1324 -19.1324 -9.5362 -9.5362 -6.5464 -6.5464 -6.5170 -6.5170 -6.1637 -6.1637 -5.6954 -5.6954 -4.6784 -4.6784 -4.5543 -4.5543 -4.5282 -4.5282 -4.4452 -4.4452 -4.3484 -4.3484 -3.9145 -3.9145 -3.7819 -3.7819 -3.4193 -3.4193 0.3132 0.3132 0.3805 0.3805 4.9634 4.9634 5.3412 5.3412 5.4695 5.4695 6.4033 6.4033 6.4741 6.4741 6.6741 6.6741 6.9169 6.9169 7.2020 7.2020 7.3249 7.3249 9.2126 9.2126 9.6714 9.6714 10.1711 10.1711 10.2653 10.2653 10.9265 10.9265 11.0386 11.0386 k = 0.0000 0.0000 0.7294 ( 8627 PWs) bands (ev): -19.8517 -19.8517 -19.8395 -19.8395 -19.2942 -19.2942 -19.1383 -19.1383 -9.5666 -9.5666 -6.5465 -6.5465 -6.5180 -6.5180 -6.1642 -6.1642 -5.6796 -5.6796 -4.6850 -4.6850 -4.5542 -4.5542 -4.5304 -4.5304 -4.4457 -4.4457 -4.3368 -4.3368 -3.8929 -3.8929 -3.7636 -3.7636 -3.4088 -3.4088 0.3303 0.3303 0.3688 0.3688 4.9413 4.9413 5.2695 5.2695 5.3955 5.3955 6.3927 6.3927 6.4919 6.4919 6.7106 6.7106 6.8839 6.8839 7.1968 7.1968 7.2996 7.2996 9.2402 9.2402 9.6741 9.6741 10.1702 10.1702 10.3150 10.3150 11.0074 11.0074 11.0924 11.0924 k = 0.0000 0.0000 0.7598 ( 8627 PWs) bands (ev): -19.8510 -19.8510 -19.8397 -19.8397 -19.2873 -19.2873 -19.1441 -19.1441 -9.5963 -9.5963 -6.5465 -6.5465 -6.5191 -6.5191 -6.1665 -6.1665 -5.6634 -5.6634 -4.6913 -4.6913 -4.5543 -4.5543 -4.5326 -4.5326 -4.4468 -4.4468 -4.3271 -4.3271 -3.8703 -3.8703 -3.7427 -3.7427 -3.3974 -3.3974 0.3395 0.3395 0.3625 0.3625 4.9195 4.9195 5.1991 5.1991 5.3217 5.3217 6.3803 6.3803 6.5172 6.5172 6.7485 6.7485 6.8562 6.8562 7.1857 7.1857 7.2821 7.2821 9.2668 9.2668 9.6707 9.6707 10.1655 10.1655 10.3606 10.3606 11.0827 11.0827 11.1449 11.1449 k = 0.0000 0.0000 0.7902 ( 8619 PWs) bands (ev): -19.8502 -19.8502 -19.8399 -19.8399 -19.2805 -19.2805 -19.1498 -19.1498 -9.6253 -9.6253 -6.5465 -6.5465 -6.5202 -6.5202 -6.1702 -6.1702 -5.6470 -5.6470 -4.6972 -4.6972 -4.5550 -4.5550 -4.5343 -4.5343 -4.4484 -4.4484 -4.3191 -4.3191 -3.8475 -3.8475 -3.7191 -3.7191 -3.3852 -3.3852 0.3315 0.3315 0.3709 0.3709 4.8981 4.8981 5.1305 5.1305 5.2484 5.2484 6.3707 6.3707 6.5460 6.5460 6.7764 6.7764 6.8440 6.8440 7.1681 7.1681 7.2732 7.2732 9.2921 9.2921 9.6593 9.6593 10.1617 10.1617 10.4019 10.4019 11.1381 11.1381 11.2070 11.2070 k = 0.0000 0.0000 0.8206 ( 8617 PWs) bands (ev): -19.8494 -19.8494 -19.8401 -19.8401 -19.2738 -19.2738 -19.1554 -19.1554 -9.6535 -9.6535 -6.5463 -6.5463 -6.5213 -6.5213 -6.1751 -6.1751 -5.6307 -5.6307 -4.7029 -4.7029 -4.5565 -4.5565 -4.5354 -4.5354 -4.4503 -4.4503 -4.3125 -4.3125 -3.8251 -3.8251 -3.6930 -3.6930 -3.3723 -3.3723 0.3171 0.3171 0.3836 0.3836 4.8771 4.8771 5.0638 5.0638 5.1761 5.1761 6.3649 6.3649 6.5769 6.5769 6.7730 6.7730 6.8679 6.8679 7.1462 7.1462 7.2708 7.2708 9.3159 9.3159 9.6390 9.6390 10.1625 10.1625 10.4387 10.4387 11.1609 11.1609 11.2737 11.2737 k = 0.0000 0.0000 0.8509 ( 8611 PWs) bands (ev): -19.8487 -19.8487 -19.8402 -19.8402 -19.2673 -19.2673 -19.1608 -19.1608 -9.6806 -9.6806 -6.5462 -6.5462 -6.5225 -6.5225 -6.1810 -6.1810 -5.6146 -5.6146 -4.7081 -4.7081 -4.5587 -4.5587 -4.5358 -4.5358 -4.4526 -4.4526 -4.3071 -4.3071 -3.8037 -3.8037 -3.6647 -3.6647 -3.3586 -3.3586 0.3012 0.3012 0.3957 0.3957 4.8566 4.8566 4.9994 4.9994 5.1051 5.1051 6.3629 6.3629 6.6085 6.6085 6.7562 6.7562 6.9103 6.9103 7.1229 7.1229 7.2723 7.2723 9.3381 9.3381 9.6096 9.6096 10.1701 10.1701 10.4712 10.4712 11.1543 11.1543 11.3149 11.3149 k = 0.0000 0.0000 0.8813 ( 8613 PWs) bands (ev): -19.8480 -19.8480 -19.8404 -19.8404 -19.2609 -19.2609 -19.1660 -19.1660 -9.7066 -9.7066 -6.5459 -6.5459 -6.5236 -6.5236 -6.1877 -6.1877 -5.5989 -5.5989 -4.7129 -4.7129 -4.5615 -4.5615 -4.5354 -4.5354 -4.4551 -4.4551 -4.3027 -4.3027 -3.7835 -3.7835 -3.6346 -3.6346 -3.3442 -3.3442 0.2846 0.2846 0.4066 0.4066 4.8367 4.8367 4.9375 4.9375 5.0357 5.0357 6.3645 6.3645 6.6373 6.6373 6.7432 6.7432 6.9561 6.9561 7.1006 7.1006 7.2761 7.2761 9.3585 9.3585 9.5726 9.5726 10.1848 10.1848 10.4996 10.4996 11.1257 11.1257 11.3551 11.3551 k = 0.0000 0.0000 0.9117 ( 8617 PWs) bands (ev): -19.8474 -19.8474 -19.8406 -19.8406 -19.2548 -19.2548 -19.1710 -19.1710 -9.7315 -9.7315 -6.5456 -6.5456 -6.5247 -6.5247 -6.1949 -6.1949 -5.5838 -5.5838 -4.7172 -4.7172 -4.5648 -4.5648 -4.5346 -4.5346 -4.4579 -4.4579 -4.2991 -4.2991 -3.7646 -3.7646 -3.6036 -3.6036 -3.3292 -3.3292 0.2677 0.2677 0.4162 0.4162 4.8173 4.8173 4.8784 4.8784 4.9684 4.9684 6.3693 6.3693 6.6545 6.6545 6.7448 6.7448 6.9993 6.9993 7.0833 7.0833 7.2813 7.2813 9.3771 9.3771 9.5299 9.5299 10.2061 10.2061 10.5240 10.5240 11.0825 11.0825 11.3939 11.3939 k = 0.0000 0.0000 0.9421 ( 8617 PWs) bands (ev): -19.8467 -19.8467 -19.8408 -19.8408 -19.2489 -19.2489 -19.1758 -19.1758 -9.7550 -9.7550 -6.5453 -6.5453 -6.5258 -6.5258 -6.2025 -6.2025 -5.5694 -5.5694 -4.7211 -4.7211 -4.5683 -4.5683 -4.5334 -4.5334 -4.4609 -4.4609 -4.2960 -4.2960 -3.7469 -3.7469 -3.5723 -3.5723 -3.3138 -3.3138 0.2508 0.2508 0.4245 0.4245 4.7980 4.7980 4.8231 4.8231 4.9035 4.9035 6.3765 6.3765 6.6544 6.6544 6.7672 6.7672 7.0236 7.0236 7.0864 7.0864 7.2876 7.2876 9.3940 9.3940 9.4837 9.4837 10.2328 10.2328 10.5448 10.5448 11.0304 11.0304 11.4299 11.4299 k = 0.0000 0.0000 0.9725 ( 8603 PWs) bands (ev): -19.8461 -19.8461 -19.8409 -19.8409 -19.2433 -19.2433 -19.1804 -19.1804 -9.7772 -9.7772 -6.5449 -6.5449 -6.5269 -6.5269 -6.2103 -6.2103 -5.5558 -5.5558 -4.7245 -4.7245 -4.5720 -4.5720 -4.5319 -4.5319 -4.4640 -4.4640 -4.2933 -4.2933 -3.7304 -3.7304 -3.5415 -3.5415 -3.2978 -3.2978 0.2341 0.2341 0.4316 0.4316 4.7656 4.7656 4.7848 4.7848 4.8416 4.8416 6.3855 6.3855 6.6456 6.6456 6.8012 6.8012 7.0174 7.0174 7.1216 7.1216 7.2946 7.2946 9.4091 9.4091 9.4360 9.4360 10.2636 10.2636 10.5620 10.5620 10.9736 10.9736 11.4617 11.4617 k = 0.0000 0.0000 1.0029 ( 8609 PWs) bands (ev): -19.8456 -19.8456 -19.8411 -19.8411 -19.2381 -19.2381 -19.1846 -19.1846 -9.7979 -9.7979 -6.5445 -6.5445 -6.5280 -6.5280 -6.2180 -6.2180 -5.5432 -5.5432 -4.7274 -4.7274 -4.5757 -4.5757 -4.5302 -4.5302 -4.4673 -4.4673 -4.2910 -4.2910 -3.7152 -3.7152 -3.5119 -3.5119 -3.2816 -3.2816 0.2179 0.2179 0.4375 0.4375 4.7173 4.7173 4.7656 4.7656 4.7840 4.7840 6.3954 6.3954 6.6356 6.6356 6.8385 6.8385 7.0036 7.0036 7.1660 7.1660 7.3023 7.3023 9.3882 9.3882 9.4226 9.4226 10.2974 10.2974 10.5759 10.5759 10.9154 10.9154 11.4887 11.4887 k = 0.0000 0.0000 1.0333 ( 8605 PWs) bands (ev): -19.8450 -19.8450 -19.8412 -19.8412 -19.2332 -19.2332 -19.1885 -19.1885 -9.8170 -9.8170 -6.5440 -6.5440 -6.5291 -6.5291 -6.2256 -6.2256 -5.5315 -5.5315 -4.7299 -4.7299 -4.5794 -4.5794 -4.5284 -4.5284 -4.4706 -4.4706 -4.2890 -4.2890 -3.7012 -3.7012 -3.4838 -3.4838 -3.2651 -3.2651 0.2023 0.2023 0.4425 0.4425 4.6714 4.6714 4.7256 4.7256 4.7532 4.7532 6.4052 6.4052 6.6275 6.6275 6.8742 6.8742 6.9918 6.9918 7.2109 7.2109 7.3108 7.3108 9.3421 9.3421 9.4343 9.4343 10.3329 10.3329 10.5865 10.5865 10.8581 10.8581 11.5099 11.5099 k = 0.0000 0.0000 1.0637 ( 8611 PWs) bands (ev): -19.8446 -19.8446 -19.8413 -19.8413 -19.2286 -19.2286 -19.1922 -19.1922 -9.8346 -9.8346 -6.5435 -6.5435 -6.5301 -6.5301 -6.2330 -6.2330 -5.5208 -5.5208 -4.7319 -4.7319 -4.5829 -4.5829 -4.5264 -4.5264 -4.4739 -4.4739 -4.2873 -4.2873 -3.6883 -3.6883 -3.4579 -3.4579 -3.2487 -3.2487 0.1875 0.1875 0.4465 0.4465 4.6290 4.6290 4.6749 4.6749 4.7384 4.7384 6.4140 6.4140 6.6225 6.6225 6.9022 6.9022 6.9877 6.9877 7.2543 7.2543 7.3200 7.3200 9.2987 9.2987 9.4445 9.4445 10.3691 10.3691 10.5940 10.5940 10.8036 10.8036 11.5252 11.5252 k = 0.0000 0.0000 1.0941 ( 8591 PWs) bands (ev): -19.8441 -19.8441 -19.8415 -19.8415 -19.2245 -19.2245 -19.1955 -19.1955 -9.8504 -9.8504 -6.5430 -6.5430 -6.5311 -6.5311 -6.2398 -6.2398 -5.5113 -5.5113 -4.7336 -4.7336 -4.5863 -4.5863 -4.5244 -4.5244 -4.4773 -4.4773 -4.2857 -4.2857 -3.6768 -3.6768 -3.4344 -3.4344 -3.2326 -3.2326 0.1737 0.1737 0.4497 0.4497 4.5905 4.5905 4.6279 4.6279 4.7255 4.7255 6.4209 6.4209 6.6211 6.6211 6.9148 6.9148 6.9985 6.9985 7.2943 7.2943 7.3309 7.3309 9.2587 9.2587 9.4532 9.4532 10.4050 10.4050 10.5987 10.5987 10.7532 10.7532 11.5341 11.5341 k = 0.0000 0.0000 1.1245 ( 8581 PWs) bands (ev): -19.8437 -19.8437 -19.8416 -19.8416 -19.2208 -19.2208 -19.1984 -19.1984 -9.8646 -9.8646 -6.5424 -6.5424 -6.5320 -6.5320 -6.2462 -6.2462 -5.5028 -5.5028 -4.7349 -4.7349 -4.5894 -4.5894 -4.5222 -4.5222 -4.4807 -4.4807 -4.2843 -4.2843 -3.6665 -3.6665 -3.4136 -3.4136 -3.2171 -3.2171 0.1612 0.1612 0.4522 0.4522 4.5561 4.5561 4.5855 4.5855 4.7140 4.7140 6.4255 6.4255 6.6233 6.6233 6.9138 6.9138 7.0213 7.0213 7.3252 7.3252 7.3482 7.3482 9.2229 9.2229 9.4607 9.4607 10.4394 10.4394 10.6006 10.6006 10.7079 10.7079 11.5369 11.5369 k = 0.0000 0.0000 1.1549 ( 8585 PWs) bands (ev): -19.8434 -19.8434 -19.8417 -19.8417 -19.2175 -19.2175 -19.2010 -19.2010 -9.8770 -9.8770 -6.5418 -6.5418 -6.5330 -6.5330 -6.2519 -6.2519 -5.4954 -5.4954 -4.7359 -4.7359 -4.5923 -4.5923 -4.5199 -4.5199 -4.4840 -4.4840 -4.2831 -4.2831 -3.6575 -3.6575 -3.3955 -3.3955 -3.2026 -3.2026 0.1499 0.1499 0.4542 0.4542 4.5260 4.5260 4.5480 4.5480 4.7040 4.7040 6.4280 6.4280 6.6283 6.6283 6.9078 6.9078 7.0470 7.0470 7.3411 7.3411 7.3772 7.3772 9.1917 9.1917 9.4669 9.4669 10.4708 10.4708 10.6003 10.6003 10.6687 10.6687 11.5342 11.5342 k = 0.0000 0.0000 1.1852 ( 8581 PWs) bands (ev): -19.8431 -19.8431 -19.8417 -19.8417 -19.2147 -19.2147 -19.2032 -19.2032 -9.8875 -9.8875 -6.5412 -6.5412 -6.5339 -6.5339 -6.2568 -6.2568 -5.4892 -5.4892 -4.7366 -4.7366 -4.5948 -4.5948 -4.5176 -4.5176 -4.4872 -4.4872 -4.2821 -4.2821 -3.6498 -3.6498 -3.3803 -3.3803 -3.1895 -3.1895 0.1402 0.1402 0.4556 0.4556 4.5001 4.5001 4.5158 4.5158 4.6954 4.6954 6.4288 6.4288 6.6351 6.6351 6.9009 6.9009 7.0706 7.0706 7.3517 7.3517 7.4071 7.4071 9.1654 9.1654 9.4720 9.4720 10.4974 10.4974 10.5984 10.5984 10.6371 10.6371 11.5271 11.5271 k = 0.0000 0.0000 1.2156 ( 8571 PWs) bands (ev): -19.8429 -19.8429 -19.8418 -19.8418 -19.2124 -19.2124 -19.2050 -19.2050 -9.8962 -9.8962 -6.5406 -6.5406 -6.5347 -6.5347 -6.2610 -6.2610 -5.4841 -5.4841 -4.7372 -4.7372 -4.5969 -4.5969 -4.5152 -4.5152 -4.4904 -4.4904 -4.2813 -4.2813 -3.6435 -3.6435 -3.3679 -3.3679 -3.1781 -3.1781 0.1320 0.1320 0.4567 0.4567 4.4788 4.4788 4.4892 4.4892 4.6883 4.6883 6.4285 6.4285 6.6426 6.6426 6.8948 6.8948 7.0905 7.0905 7.3606 7.3606 7.4333 7.4333 9.1440 9.1440 9.4760 9.4760 10.5165 10.5165 10.5955 10.5955 10.6151 10.6151 11.5174 11.5174 k = 0.0000 0.0000 1.2460 ( 8580 PWs) bands (ev): -19.8427 -19.8427 -19.8418 -19.8418 -19.2106 -19.2106 -19.2064 -19.2064 -9.9029 -9.9029 -6.5400 -6.5400 -6.5356 -6.5356 -6.2643 -6.2643 -5.4801 -5.4801 -4.7375 -4.7375 -4.5986 -4.5986 -4.5127 -4.5127 -4.4934 -4.4934 -4.2806 -4.2806 -3.6386 -3.6386 -3.3583 -3.3583 -3.1689 -3.1689 0.1256 0.1256 0.4574 0.4574 4.4618 4.4618 4.4685 4.4685 4.6828 4.6828 6.4276 6.4276 6.6496 6.6496 6.8899 6.8899 7.1059 7.1059 7.3680 7.3680 7.4546 7.4546 9.1276 9.1276 9.4791 9.4791 10.5247 10.5247 10.5927 10.5927 10.6050 10.6050 11.5069 11.5069 k = 0.0000 0.0000 1.2764 ( 8580 PWs) bands (ev): -19.8426 -19.8426 -19.8419 -19.8419 -19.2093 -19.2093 -19.2074 -19.2074 -9.9078 -9.9078 -6.5393 -6.5393 -6.5364 -6.5364 -6.2667 -6.2667 -5.4772 -5.4772 -4.7377 -4.7377 -4.5999 -4.5999 -4.5104 -4.5104 -4.4962 -4.4962 -4.2802 -4.2802 -3.6350 -3.6350 -3.3514 -3.3514 -3.1621 -3.1621 0.1209 0.1209 0.4579 0.4579 4.4492 4.4492 4.4540 4.4540 4.6788 4.6788 6.4266 6.4266 6.6552 6.6552 6.8863 6.8863 7.1169 7.1169 7.3737 7.3737 7.4704 7.4704 9.1161 9.1161 9.4812 9.4812 10.5237 10.5237 10.5898 10.5898 10.6055 10.6055 11.4977 11.4977 k = 0.0000 0.0000 1.3068 ( 8590 PWs) bands (ev): -19.8425 -19.8425 -19.8419 -19.8419 -19.2085 -19.2085 -19.2081 -19.2081 -9.9107 -9.9107 -6.5386 -6.5386 -6.5371 -6.5371 -6.2681 -6.2681 -5.4755 -5.4755 -4.7378 -4.7378 -4.6007 -4.6007 -4.5083 -4.5083 -4.4985 -4.4985 -4.2799 -4.2799 -3.6329 -3.6329 -3.3474 -3.3474 -3.1579 -3.1579 0.1181 0.1181 0.4582 0.4582 4.4412 4.4412 4.4457 4.4457 4.6764 4.6764 6.4260 6.4260 6.6589 6.6589 6.8842 6.8842 7.1234 7.1234 7.3772 7.3772 7.4800 7.4800 9.1092 9.1092 9.4825 9.4825 10.5201 10.5201 10.5875 10.5875 10.6092 10.6092 11.4914 11.4914 k = 0.0000 0.0000 1.3372 ( 8594 PWs) bands (ev): -19.8424 -19.8424 -19.8419 -19.8419 -19.2083 -19.2083 -19.2083 -19.2083 -9.9117 -9.9117 -6.5381 -6.5381 -6.5377 -6.5377 -6.2686 -6.2686 -5.4750 -5.4750 -4.7379 -4.7379 -4.6009 -4.6009 -4.5074 -4.5074 -4.4996 -4.4996 -4.2798 -4.2798 -3.6322 -3.6322 -3.3460 -3.3460 -3.1565 -3.1565 0.1172 0.1172 0.4583 0.4583 4.4384 4.4384 4.4430 4.4430 4.6756 4.6756 6.4257 6.4257 6.6601 6.6601 6.8835 6.8835 7.1256 7.1256 7.3784 7.3784 7.4833 7.4833 9.1069 9.1069 9.4829 9.4829 10.5185 10.5185 10.5866 10.5866 10.6109 10.6109 11.4892 11.4892 k = 0.0000 0.0000 1.3372 ( 8594 PWs) bands (ev): -19.8424 -19.8424 -19.8419 -19.8419 -19.2083 -19.2083 -19.2083 -19.2083 -9.9117 -9.9117 -6.5381 -6.5381 -6.5377 -6.5377 -6.2686 -6.2686 -5.4750 -5.4750 -4.7379 -4.7379 -4.6009 -4.6009 -4.5074 -4.5074 -4.4996 -4.4996 -4.2798 -4.2798 -3.6322 -3.6322 -3.3460 -3.3460 -3.1565 -3.1565 0.1172 0.1172 0.4583 0.4583 4.4384 4.4384 4.4430 4.4430 4.6756 4.6756 6.4257 6.4257 6.6601 6.6601 6.8835 6.8835 7.1256 7.1256 7.3784 7.3784 7.4833 7.4833 9.1069 9.1069 9.4829 9.4829 10.5185 10.5185 10.5866 10.5866 10.6109 10.6109 11.4892 11.4892 k =-0.0102 0.0252 1.3372 ( 8596 PWs) bands (ev): -19.8424 -19.8424 -19.8419 -19.8419 -19.2085 -19.2085 -19.2081 -19.2081 -9.9109 -9.9109 -6.5384 -6.5384 -6.5373 -6.5373 -6.2682 -6.2682 -5.4754 -5.4754 -4.7376 -4.7376 -4.6010 -4.6010 -4.5082 -4.5082 -4.4987 -4.4987 -4.2797 -4.2797 -3.6328 -3.6328 -3.3471 -3.3471 -3.1576 -3.1576 0.1178 0.1178 0.4584 0.4584 4.4406 4.4406 4.4451 4.4451 4.6761 4.6761 6.4240 6.4240 6.6597 6.6597 6.8812 6.8812 7.1267 7.1267 7.3770 7.3770 7.4839 7.4839 9.1076 9.1076 9.4837 9.4837 10.5159 10.5159 10.5891 10.5891 10.6117 10.6117 11.4898 11.4898 k =-0.0203 0.0504 1.3372 ( 8592 PWs) bands (ev): -19.8424 -19.8424 -19.8420 -19.8420 -19.2091 -19.2091 -19.2076 -19.2076 -9.9086 -9.9086 -6.5389 -6.5389 -6.5368 -6.5368 -6.2671 -6.2671 -5.4768 -5.4768 -4.7369 -4.7369 -4.6014 -4.6014 -4.5102 -4.5102 -4.4967 -4.4967 -4.2796 -4.2796 -3.6345 -3.6345 -3.3504 -3.3504 -3.1609 -3.1609 0.1198 0.1198 0.4588 0.4588 4.4471 4.4471 4.4516 4.4516 4.6776 4.6776 6.4190 6.4190 6.6587 6.6587 6.8748 6.8748 7.1297 7.1297 7.3730 7.3730 7.4858 7.4858 9.1097 9.1097 9.4862 9.4862 10.5073 10.5073 10.5966 10.5966 10.6152 10.6152 11.4907 11.4907 k =-0.0305 0.0756 1.3372 ( 8574 PWs) bands (ev): -19.8424 -19.8424 -19.8421 -19.8421 -19.2101 -19.2101 -19.2068 -19.2068 -9.9047 -9.9047 -6.5393 -6.5393 -6.5362 -6.5362 -6.2652 -6.2652 -5.4791 -5.4791 -4.7356 -4.7356 -4.6019 -4.6019 -4.5127 -4.5127 -4.4942 -4.4942 -4.2793 -4.2793 -3.6374 -3.6374 -3.3559 -3.3559 -3.1663 -3.1663 0.1231 0.1231 0.4594 0.4594 4.4572 4.4572 4.4631 4.4631 4.6802 4.6802 6.4106 6.4106 6.6572 6.6572 6.8647 6.8647 7.1338 7.1338 7.3666 7.3666 7.4887 7.4887 9.1131 9.1131 9.4904 9.4904 10.4915 10.4915 10.6087 10.6087 10.6236 10.6236 11.4891 11.4891 k =-0.0406 0.1008 1.3372 ( 8568 PWs) bands (ev): -19.8424 -19.8424 -19.8422 -19.8422 -19.2116 -19.2116 -19.2057 -19.2057 -9.8993 -9.8993 -6.5399 -6.5399 -6.5354 -6.5354 -6.2625 -6.2625 -5.4823 -5.4823 -4.7338 -4.7338 -4.6026 -4.6026 -4.5153 -4.5153 -4.4914 -4.4914 -4.2789 -4.2789 -3.6413 -3.6413 -3.3636 -3.3636 -3.1737 -3.1737 0.1277 0.1277 0.4602 0.4602 4.4708 4.4708 4.4796 4.4796 4.6837 4.6837 6.3987 6.3987 6.6558 6.6558 6.8515 6.8515 7.1383 7.1383 7.3584 7.3584 7.4923 7.4923 9.1179 9.1179 9.4965 9.4965 10.4684 10.4684 10.6250 10.6250 10.6379 10.6379 11.4819 11.4819 k =-0.0406 0.1008 1.3372 ( 8568 PWs) bands (ev): -19.8424 -19.8424 -19.8422 -19.8422 -19.2116 -19.2116 -19.2057 -19.2057 -9.8993 -9.8993 -6.5399 -6.5399 -6.5354 -6.5354 -6.2625 -6.2625 -5.4823 -5.4823 -4.7338 -4.7338 -4.6026 -4.6026 -4.5153 -4.5153 -4.4914 -4.4914 -4.2789 -4.2789 -3.6413 -3.6413 -3.3636 -3.3636 -3.1737 -3.1737 0.1277 0.1277 0.4602 0.4602 4.4708 4.4708 4.4796 4.4796 4.6837 4.6837 6.3987 6.3987 6.6558 6.6558 6.8515 6.8515 7.1383 7.1383 7.3584 7.3584 7.4923 7.4923 9.1179 9.1179 9.4965 9.4965 10.4684 10.4684 10.6250 10.6250 10.6379 10.6379 11.4819 11.4819 k =-0.0486 0.1204 1.3160 ( 8567 PWs) bands (ev): -19.8424 -19.8424 -19.8423 -19.8423 -19.2129 -19.2129 -19.2047 -19.2047 -9.8935 -9.8935 -6.5403 -6.5403 -6.5348 -6.5348 -6.2597 -6.2597 -5.4857 -5.4857 -4.7321 -4.7321 -4.6032 -4.6032 -4.5176 -4.5176 -4.4890 -4.4890 -4.2786 -4.2786 -3.6456 -3.6456 -3.3719 -3.3719 -3.1813 -3.1813 0.1325 0.1325 0.4608 0.4608 4.4776 4.4776 4.5045 4.5045 4.6875 4.6875 6.3872 6.3872 6.6544 6.6544 6.8397 6.8397 7.1407 7.1407 7.3505 7.3505 7.4938 7.4938 9.1237 9.1237 9.5025 9.5025 10.4478 10.4478 10.6404 10.6404 10.6518 10.6518 11.4717 11.4717 k =-0.0565 0.1401 1.2948 ( 8567 PWs) bands (ev): -19.8425 -19.8425 -19.8424 -19.8424 -19.2143 -19.2143 -19.2038 -19.2038 -9.8859 -9.8859 -6.5408 -6.5408 -6.5340 -6.5340 -6.2560 -6.2560 -5.4903 -5.4903 -4.7300 -4.7300 -4.6035 -4.6035 -4.5202 -4.5202 -4.4862 -4.4862 -4.2783 -4.2783 -3.6513 -3.6513 -3.3832 -3.3832 -3.1904 -3.1904 0.1390 0.1390 0.4615 0.4615 4.4829 4.4829 4.5407 4.5407 4.6927 4.6927 6.3738 6.3738 6.6519 6.6519 6.8268 6.8268 7.1410 7.1410 7.3410 7.3410 7.4928 7.4928 9.1321 9.1321 9.5097 9.5097 10.4279 10.4279 10.6563 10.6563 10.6673 10.6673 11.4583 11.4583 k =-0.0644 0.1597 1.2737 ( 8572 PWs) bands (ev): -19.8425 -19.8425 -19.8425 -19.8425 -19.2156 -19.2156 -19.2029 -19.2029 -9.8766 -9.8766 -6.5414 -6.5414 -6.5332 -6.5332 -6.2515 -6.2515 -5.4959 -5.4959 -4.7276 -4.7276 -4.6037 -4.6037 -4.5230 -4.5230 -4.4833 -4.4833 -4.2781 -4.2781 -3.6584 -3.6584 -3.3977 -3.3977 -3.2008 -3.2008 0.1470 0.1470 0.4622 0.4622 4.4890 4.4890 4.5855 4.5855 4.6991 4.6991 6.3585 6.3585 6.6487 6.6487 6.8129 6.8129 7.1391 7.1391 7.3300 7.3300 7.4895 7.4895 9.1430 9.1430 9.5180 9.5180 10.4097 10.4097 10.6700 10.6700 10.6855 10.6855 11.4429 11.4429 k =-0.0723 0.1794 1.2525 ( 8582 PWs) bands (ev): -19.8427 -19.8427 -19.8426 -19.8426 -19.2171 -19.2171 -19.2021 -19.2021 -9.8656 -9.8656 -6.5419 -6.5419 -6.5323 -6.5323 -6.2462 -6.2462 -5.5026 -5.5026 -4.7249 -4.7249 -4.6036 -4.6036 -4.5259 -4.5259 -4.4801 -4.4801 -4.2779 -4.2779 -3.6670 -3.6670 -3.4154 -3.4154 -3.2117 -3.2117 0.1565 0.1565 0.4629 0.4629 4.4962 4.4962 4.6381 4.6381 4.7070 4.7070 6.3414 6.3414 6.6448 6.6448 6.7978 6.7978 7.1349 7.1349 7.3183 7.3183 7.4841 7.4841 9.1562 9.1562 9.5278 9.5278 10.3940 10.3940 10.6809 10.6809 10.7056 10.7056 11.4273 11.4273 k =-0.0802 0.1990 1.2313 ( 8584 PWs) bands (ev): -19.8428 -19.8428 -19.8427 -19.8427 -19.2185 -19.2185 -19.2013 -19.2013 -9.8529 -9.8529 -6.5424 -6.5424 -6.5314 -6.5314 -6.2402 -6.2402 -5.5104 -5.5104 -4.7219 -4.7219 -4.6033 -4.6033 -4.5290 -4.5290 -4.4769 -4.4769 -4.2778 -4.2778 -3.6770 -3.6770 -3.4364 -3.4364 -3.2228 -3.2228 0.1674 0.1674 0.4636 0.4636 4.5042 4.5042 4.6969 4.6969 4.7172 4.7172 6.3225 6.3225 6.6401 6.6401 6.7817 6.7817 7.1285 7.1285 7.3061 7.3061 7.4770 7.4770 9.1715 9.1715 9.5391 9.5391 10.3811 10.3811 10.6895 10.6895 10.7261 10.7261 11.4134 11.4134 k =-0.0882 0.2187 1.2101 ( 8588 PWs) bands (ev): -19.8430 -19.8430 -19.8428 -19.8428 -19.2200 -19.2200 -19.2007 -19.2007 -9.8387 -9.8387 -6.5430 -6.5430 -6.5305 -6.5305 -6.2334 -6.2334 -5.5193 -5.5193 -4.7187 -4.7187 -4.6028 -4.6028 -4.5321 -4.5321 -4.4736 -4.4736 -4.2777 -4.2777 -3.6887 -3.6887 -3.4603 -3.4603 -3.2336 -3.2336 0.1796 0.1796 0.4642 0.4642 4.5132 4.5132 4.7244 4.7244 4.7668 4.7668 6.3018 6.3018 6.6347 6.6347 6.7647 6.7647 7.1199 7.1199 7.2940 7.2940 7.4684 7.4684 9.1886 9.1886 9.5520 9.5520 10.3712 10.3712 10.6959 10.6959 10.7456 10.7456 11.4031 11.4031 k =-0.0961 0.2383 1.1889 ( 8598 PWs) bands (ev): -19.8432 -19.8432 -19.8429 -19.8429 -19.2215 -19.2215 -19.2000 -19.2000 -9.8230 -9.8230 -6.5435 -6.5435 -6.5295 -6.5295 -6.2261 -6.2261 -5.5292 -5.5292 -4.7152 -4.7152 -4.6019 -4.6019 -4.5354 -4.5354 -4.4702 -4.4702 -4.2777 -4.2777 -3.7019 -3.7019 -3.4868 -3.4868 -3.2439 -3.2439 0.1929 0.1929 0.4649 0.4649 4.5229 4.5229 4.7358 4.7358 4.8396 4.8396 6.2795 6.2795 6.6282 6.6282 6.7473 6.7473 7.1089 7.1089 7.2827 7.2827 7.4587 7.4587 9.2073 9.2073 9.5666 9.5666 10.3641 10.3641 10.7003 10.7003 10.7630 10.7630 11.3975 11.3975 k =-0.1040 0.2580 1.1677 ( 8606 PWs) bands (ev): -19.8433 -19.8433 -19.8431 -19.8431 -19.2230 -19.2230 -19.1994 -19.1994 -9.8060 -9.8060 -6.5440 -6.5440 -6.5286 -6.5286 -6.2181 -6.2181 -5.5401 -5.5401 -4.7115 -4.7115 -4.6008 -4.6008 -4.5388 -4.5388 -4.4669 -4.4669 -4.2778 -4.2778 -3.7167 -3.7167 -3.5155 -3.5155 -3.2536 -3.2536 0.2073 0.2073 0.4655 0.4655 4.5333 4.5333 4.7479 4.7479 4.9183 4.9183 6.2558 6.2558 6.6200 6.6200 6.7302 6.7302 7.0956 7.0956 7.2725 7.2725 7.4482 7.4482 9.2276 9.2276 9.5828 9.5828 10.3592 10.3592 10.7034 10.7034 10.7776 10.7776 11.3974 11.3974 k =-0.1119 0.2776 1.1466 ( 8606 PWs) bands (ev): -19.8435 -19.8435 -19.8432 -19.8432 -19.2245 -19.2245 -19.1989 -19.1989 -9.7879 -9.7879 -6.5446 -6.5446 -6.5276 -6.5276 -6.2097 -6.2097 -5.5519 -5.5519 -4.7076 -4.7076 -4.5993 -4.5993 -4.5423 -4.5423 -4.4635 -4.4635 -4.2779 -4.2779 -3.7332 -3.7332 -3.5456 -3.5456 -3.2627 -3.2627 0.2226 0.2226 0.4661 0.4661 4.5442 4.5442 4.7607 4.7607 5.0018 5.0018 6.2308 6.2308 6.6091 6.6091 6.7149 6.7149 7.0800 7.0800 7.2637 7.2637 7.4372 7.4372 9.2491 9.2491 9.6005 9.6005 10.3559 10.3559 10.7062 10.7062 10.7888 10.7888 11.4029 11.4029 k =-0.1198 0.2972 1.1254 ( 8606 PWs) bands (ev): -19.8437 -19.8437 -19.8434 -19.8434 -19.2259 -19.2259 -19.1984 -19.1984 -9.7686 -9.7686 -6.5451 -6.5451 -6.5267 -6.5267 -6.2010 -6.2010 -5.5647 -5.5647 -4.7035 -4.7035 -4.5976 -4.5976 -4.5458 -4.5458 -4.4601 -4.4601 -4.2781 -4.2781 -3.7511 -3.7511 -3.5766 -3.5766 -3.2712 -3.2712 0.2388 0.2388 0.4667 0.4667 4.5555 4.5555 4.7742 4.7742 5.0894 5.0894 6.2047 6.2047 6.5945 6.5945 6.7025 6.7025 7.0624 7.0624 7.2563 7.2563 7.4260 7.4260 9.2718 9.2718 9.6197 9.6197 10.3533 10.3533 10.7101 10.7101 10.7960 10.7960 11.4138 11.4138 k =-0.1278 0.3169 1.1042 ( 8608 PWs) bands (ev): -19.8439 -19.8439 -19.8436 -19.8436 -19.2274 -19.2274 -19.1980 -19.1980 -9.7485 -9.7485 -6.5456 -6.5456 -6.5258 -6.5258 -6.1919 -6.1919 -5.5783 -5.5783 -4.6994 -4.6994 -4.5956 -4.5956 -4.5495 -4.5495 -4.4568 -4.4568 -4.2783 -4.2783 -3.7706 -3.7706 -3.6079 -3.6079 -3.2791 -3.2791 0.2555 0.2555 0.4672 0.4672 4.5672 4.5672 4.7883 4.7883 5.1803 5.1803 6.1780 6.1780 6.5758 6.5758 6.6940 6.6940 7.0429 7.0429 7.2503 7.2503 7.4150 7.4150 9.2955 9.2955 9.6402 9.6402 10.3503 10.3503 10.7165 10.7165 10.7994 10.7994 11.4293 11.4293 k =-0.1357 0.3365 1.0830 ( 8609 PWs) bands (ev): -19.8441 -19.8441 -19.8438 -19.8438 -19.2289 -19.2289 -19.1976 -19.1976 -9.7276 -9.7276 -6.5462 -6.5462 -6.5249 -6.5249 -6.1826 -6.1826 -5.5926 -5.5926 -4.6953 -4.6953 -4.5933 -4.5933 -4.5531 -4.5531 -4.4536 -4.4536 -4.2785 -4.2785 -3.7914 -3.7914 -3.6389 -3.6389 -3.2865 -3.2865 0.2727 0.2727 0.4677 0.4677 4.5790 4.5790 4.8028 4.8028 5.2735 5.2735 6.1507 6.1507 6.5532 6.5532 6.6894 6.6894 7.0221 7.0221 7.2453 7.2453 7.4044 7.4044 9.3200 9.3200 9.6617 9.6617 10.3463 10.3463 10.7265 10.7265 10.7992 10.7992 11.4485 11.4485 k =-0.1436 0.3562 1.0618 ( 8609 PWs) bands (ev): -19.8443 -19.8443 -19.8440 -19.8440 -19.2303 -19.2303 -19.1973 -19.1973 -9.7062 -9.7062 -6.5468 -6.5468 -6.5240 -6.5240 -6.1733 -6.1733 -5.6076 -5.6076 -4.6913 -4.6913 -4.5909 -4.5909 -4.5566 -4.5566 -4.4503 -4.4503 -4.2788 -4.2788 -3.8132 -3.8132 -3.6694 -3.6694 -3.2933 -3.2933 0.2902 0.2902 0.4681 0.4681 4.5909 4.5909 4.8178 4.8178 5.3681 5.3681 6.1234 6.1234 6.5279 6.5279 6.6880 6.6880 7.0004 7.0004 7.2409 7.2409 7.3945 7.3945 9.3450 9.3450 9.6840 9.6840 10.3409 10.3409 10.7407 10.7407 10.7963 10.7963 11.4689 11.4689 k =-0.1515 0.3758 1.0407 ( 8606 PWs) bands (ev): -19.8444 -19.8444 -19.8442 -19.8442 -19.2317 -19.2317 -19.1970 -19.1970 -9.6844 -9.6844 -6.5473 -6.5473 -6.5232 -6.5232 -6.1640 -6.1640 -5.6230 -5.6230 -4.6874 -4.6874 -4.5885 -4.5885 -4.5598 -4.5598 -4.4472 -4.4472 -4.2790 -4.2790 -3.8357 -3.8357 -3.6991 -3.6991 -3.2996 -3.2996 0.3079 0.3079 0.4686 0.4686 4.6028 4.6028 4.8329 4.8329 5.4632 5.4632 6.0965 6.0965 6.5007 6.5007 6.6892 6.6892 6.9782 6.9782 7.2367 7.2367 7.3857 7.3857 9.3702 9.3702 9.7067 9.7067 10.3344 10.3344 10.7578 10.7578 10.7929 10.7929 11.4689 11.4689 k =-0.1594 0.3955 1.0195 ( 8598 PWs) bands (ev): -19.8446 -19.8446 -19.8444 -19.8444 -19.2330 -19.2330 -19.1967 -19.1967 -9.6625 -9.6625 -6.5479 -6.5479 -6.5224 -6.5224 -6.1548 -6.1548 -5.6389 -5.6389 -4.6838 -4.6838 -4.5866 -4.5866 -4.5622 -4.5622 -4.4442 -4.4442 -4.2792 -4.2792 -3.8584 -3.8584 -3.7279 -3.7279 -3.3055 -3.3055 0.3255 0.3255 0.4689 0.4689 4.6144 4.6144 4.8481 4.8481 5.5574 5.5574 6.0706 6.0706 6.4728 6.4728 6.6924 6.6924 6.9562 6.9562 7.2322 7.2322 7.3781 7.3781 9.3953 9.3953 9.7295 9.7295 10.3273 10.3273 10.7688 10.7688 10.7987 10.7987 11.4395 11.4395 k =-0.1674 0.4151 0.9983 ( 8608 PWs) bands (ev): -19.8448 -19.8448 -19.8446 -19.8446 -19.2343 -19.2343 -19.1965 -19.1965 -9.6406 -9.6406 -6.5486 -6.5486 -6.5217 -6.5217 -6.1459 -6.1459 -5.6549 -5.6549 -4.6805 -4.6805 -4.5856 -4.5856 -4.5633 -4.5633 -4.4412 -4.4412 -4.2792 -4.2792 -3.8808 -3.8808 -3.7557 -3.7557 -3.3109 -3.3109 0.3429 0.3429 0.4692 0.4692 4.6257 4.6257 4.8631 4.8631 5.6492 5.6492 6.0465 6.0465 6.4447 6.4447 6.6969 6.6969 6.9348 6.9348 7.2268 7.2268 7.3722 7.3722 9.4198 9.4198 9.7519 9.7519 10.3207 10.3207 10.7657 10.7657 10.8220 10.8220 11.4096 11.4096 k =-0.1753 0.4348 0.9771 ( 8611 PWs) bands (ev): -19.8450 -19.8450 -19.8448 -19.8448 -19.2355 -19.2355 -19.1963 -19.1963 -9.6190 -9.6190 -6.5492 -6.5492 -6.5210 -6.5210 -6.1373 -6.1373 -5.6708 -5.6708 -4.6777 -4.6777 -4.5861 -4.5861 -4.5625 -4.5625 -4.4383 -4.4383 -4.2792 -4.2792 -3.9026 -3.9026 -3.7825 -3.7825 -3.3158 -3.3158 0.3599 0.3599 0.4695 0.4695 4.6367 4.6367 4.8779 4.8779 5.7360 5.7360 6.0263 6.0263 6.4170 6.4170 6.7023 6.7023 6.9150 6.9150 7.2204 7.2204 7.3678 7.3678 9.4432 9.4432 9.7734 9.7734 10.3157 10.3157 10.7589 10.7589 10.8524 10.8524 11.3819 11.3819 k =-0.1832 0.4544 0.9559 ( 8623 PWs) bands (ev): -19.8451 -19.8451 -19.8450 -19.8450 -19.2366 -19.2366 -19.1962 -19.1962 -9.5980 -9.5980 -6.5498 -6.5498 -6.5204 -6.5204 -6.1293 -6.1293 -5.6865 -5.6865 -4.6754 -4.6754 -4.5878 -4.5878 -4.5599 -4.5599 -4.4356 -4.4356 -4.2789 -4.2789 -3.9232 -3.9232 -3.8084 -3.8084 -3.3203 -3.3203 0.3763 0.3763 0.4698 0.4698 4.6471 4.6471 4.8923 4.8923 5.8125 5.8125 6.0146 6.0146 6.3904 6.3904 6.7077 6.7077 6.8973 6.8973 7.2126 7.2126 7.3652 7.3652 9.4650 9.4650 9.7937 9.7937 10.3134 10.3134 10.7527 10.7527 10.8857 10.8857 11.3568 11.3568 k =-0.1911 0.4740 0.9348 ( 8625 PWs) bands (ev): -19.8453 -19.8453 -19.8452 -19.8452 -19.2377 -19.2377 -19.1960 -19.1960 -9.5777 -9.5777 -6.5505 -6.5505 -6.5198 -6.5198 -6.1218 -6.1218 -5.7018 -5.7018 -4.6737 -4.6737 -4.5902 -4.5902 -4.5563 -4.5563 -4.4330 -4.4330 -4.2783 -4.2783 -3.9423 -3.9423 -3.8333 -3.8333 -3.3244 -3.3244 0.3919 0.3919 0.4700 0.4700 4.6568 4.6568 4.9061 4.9061 5.8659 5.8659 6.0233 6.0233 6.3651 6.3651 6.7124 6.7124 6.8830 6.8830 7.2034 7.2034 7.3640 7.3640 9.4848 9.4848 9.8122 9.8122 10.3147 10.3147 10.7483 10.7483 10.9198 10.9198 11.3348 11.3348 k =-0.1990 0.4937 0.9136 ( 8627 PWs) bands (ev): -19.8454 -19.8454 -19.8454 -19.8454 -19.2387 -19.2387 -19.1959 -19.1959 -9.5584 -9.5584 -6.5511 -6.5511 -6.5192 -6.5192 -6.1150 -6.1150 -5.7163 -5.7163 -4.6727 -4.6727 -4.5927 -4.5927 -4.5521 -4.5521 -4.4305 -4.4305 -4.2774 -4.2774 -3.9596 -3.9596 -3.8573 -3.8573 -3.3281 -3.3281 0.4067 0.4067 0.4702 0.4702 4.6659 4.6659 4.9192 4.9192 5.8839 5.8839 6.0638 6.0638 6.3418 6.3418 6.7153 6.7153 6.8730 6.8730 7.1930 7.1930 7.3640 7.3640 9.5021 9.5021 9.8285 9.8285 10.3204 10.3204 10.7466 10.7466 10.9532 10.9532 11.3162 11.3162 k =-0.2070 0.5133 0.8924 ( 8629 PWs) bands (ev): -19.8455 -19.8455 -19.8455 -19.8455 -19.2396 -19.2396 -19.1958 -19.1958 -9.5404 -9.5404 -6.5517 -6.5517 -6.5187 -6.5187 -6.1089 -6.1089 -5.7299 -5.7299 -4.6724 -4.6724 -4.5950 -4.5950 -4.5476 -4.5476 -4.4282 -4.4282 -4.2761 -4.2761 -3.9749 -3.9749 -3.8801 -3.8801 -3.3314 -3.3314 0.4203 0.4203 0.4704 0.4704 4.6743 4.6743 4.9314 4.9314 5.8796 5.8796 6.1221 6.1221 6.3210 6.3210 6.7157 6.7157 6.8682 6.8682 7.1814 7.1814 7.3650 7.3650 9.5166 9.5166 9.8426 9.8426 10.3309 10.3309 10.7480 10.7480 10.9839 10.9839 11.3013 11.3013 k =-0.2149 0.5330 0.8712 ( 8623 PWs) bands (ev): -19.8457 -19.8457 -19.8457 -19.8457 -19.2404 -19.2404 -19.1957 -19.1957 -9.5238 -9.5238 -6.5523 -6.5523 -6.5183 -6.5183 -6.1036 -6.1036 -5.7424 -5.7424 -4.6727 -4.6727 -4.5969 -4.5969 -4.5432 -4.5432 -4.4261 -4.4261 -4.2744 -4.2744 -3.9881 -3.9881 -3.9017 -3.9017 -3.3343 -3.3343 0.4326 0.4326 0.4706 0.4706 4.6818 4.6818 4.9425 4.9425 5.8681 5.8681 6.1810 6.1810 6.3042 6.3042 6.7132 6.7132 6.8689 6.8689 7.1691 7.1691 7.3666 7.3666 9.5283 9.5283 9.8542 9.8542 10.3462 10.3462 10.7525 10.7525 11.0094 11.0094 11.2906 11.2906 k =-0.2228 0.5526 0.8500 ( 8615 PWs) bands (ev): -19.8458 -19.8458 -19.8458 -19.8458 -19.2411 -19.2411 -19.1956 -19.1956 -9.5089 -9.5089 -6.5529 -6.5529 -6.5179 -6.5179 -6.0991 -6.0991 -5.7535 -5.7535 -4.6734 -4.6734 -4.5984 -4.5984 -4.5390 -4.5390 -4.4242 -4.4242 -4.2722 -4.2722 -3.9993 -3.9993 -3.9218 -3.9218 -3.3368 -3.3368 0.4435 0.4435 0.4710 0.4710 4.6884 4.6884 4.9525 4.9525 5.8551 5.8551 6.2288 6.2288 6.2970 6.2970 6.7086 6.7086 6.8742 6.8742 7.1562 7.1562 7.3685 7.3685 9.5372 9.5372 9.8634 9.8634 10.3659 10.3659 10.7597 10.7597 11.0265 11.0265 11.2843 11.2843 k =-0.2307 0.5723 0.8288 ( 8627 PWs) bands (ev): -19.8459 -19.8459 -19.8458 -19.8458 -19.2417 -19.2417 -19.1956 -19.1956 -9.4959 -9.4959 -6.5534 -6.5534 -6.5176 -6.5176 -6.0955 -6.0955 -5.7631 -5.7631 -4.6745 -4.6745 -4.5995 -4.5995 -4.5351 -4.5351 -4.4226 -4.4226 -4.2698 -4.2698 -4.0083 -4.0083 -3.9402 -3.9402 -3.3389 -3.3389 0.4527 0.4527 0.4714 0.4714 4.6940 4.6940 4.9611 4.9611 5.8428 5.8428 6.2457 6.2457 6.3163 6.3163 6.7028 6.7028 6.8828 6.8828 7.1433 7.1433 7.3705 7.3705 9.5437 9.5437 9.8704 9.8704 10.3890 10.3890 10.7688 10.7688 11.0314 11.0314 11.2776 11.2776 k =-0.2386 0.5919 0.8077 ( 8621 PWs) bands (ev): -19.8460 -19.8460 -19.8459 -19.8459 -19.2423 -19.2423 -19.1955 -19.1955 -9.4850 -9.4850 -6.5539 -6.5539 -6.5173 -6.5173 -6.0926 -6.0926 -5.7711 -5.7711 -4.6757 -4.6757 -4.6003 -4.6003 -4.5318 -4.5318 -4.4213 -4.4213 -4.2673 -4.2673 -4.0152 -4.0152 -3.9564 -3.9564 -3.3406 -3.3406 0.4599 0.4599 0.4723 0.4723 4.6987 4.6987 4.9684 4.9684 5.8321 5.8321 6.2412 6.2412 6.3515 6.3515 6.6969 6.6969 6.8932 6.8932 7.1307 7.1307 7.3724 7.3724 9.5482 9.5482 9.8755 9.8755 10.4141 10.4141 10.7787 10.7787 11.0228 11.0228 11.2634 11.2634 k =-0.2466 0.6116 0.7865 ( 8627 PWs) bands (ev): -19.8461 -19.8461 -19.8460 -19.8460 -19.2427 -19.2427 -19.1955 -19.1955 -9.4764 -9.4764 -6.5543 -6.5543 -6.5171 -6.5171 -6.0904 -6.0904 -5.7774 -5.7774 -4.6769 -4.6769 -4.6008 -4.6008 -4.5291 -4.5291 -4.4202 -4.4202 -4.2648 -4.2648 -4.0200 -4.0200 -3.9700 -3.9700 -3.3419 -3.3419 0.4645 0.4645 0.4741 0.4741 4.7024 4.7024 4.9741 4.9741 5.8234 5.8234 6.2339 6.2339 6.3832 6.3832 6.6917 6.6917 6.9038 6.9038 7.1192 7.1192 7.3741 7.3741 9.5511 9.5511 9.8790 9.8790 10.4388 10.4388 10.7883 10.7883 11.0044 11.0044 11.2576 11.2576 k =-0.2545 0.6312 0.7653 ( 8616 PWs) bands (ev): -19.8461 -19.8461 -19.8460 -19.8460 -19.2429 -19.2429 -19.1955 -19.1955 -9.4701 -9.4701 -6.5545 -6.5545 -6.5170 -6.5170 -6.0889 -6.0889 -5.7819 -5.7819 -4.6778 -4.6778 -4.6011 -4.6011 -4.5272 -4.5272 -4.4195 -4.4195 -4.2628 -4.2628 -4.0231 -4.0231 -3.9805 -3.9805 -3.3429 -3.3429 0.4667 0.4667 0.4765 0.4765 4.7050 4.7050 4.9782 4.9782 5.8171 5.8171 6.2279 6.2279 6.4069 6.4069 6.6878 6.6878 6.9131 6.9131 7.1098 7.1098 7.3753 7.3753 9.5528 9.5528 9.8812 9.8812 10.4603 10.4603 10.7961 10.7961 10.9838 10.9838 11.2580 11.2580 k =-0.2624 0.6509 0.7441 ( 8615 PWs) bands (ev): -19.8462 -19.8462 -19.8460 -19.8460 -19.2431 -19.2431 -19.1955 -19.1955 -9.4663 -9.4663 -6.5547 -6.5547 -6.5169 -6.5169 -6.0881 -6.0881 -5.7846 -5.7846 -4.6784 -4.6784 -4.6012 -4.6012 -4.5260 -4.5260 -4.4190 -4.4190 -4.2614 -4.2614 -4.0246 -4.0246 -3.9872 -3.9872 -3.3434 -3.3434 0.4675 0.4675 0.4784 0.4784 4.7066 4.7066 4.9808 4.9808 5.8132 5.8132 6.2241 6.2241 6.4214 6.4214 6.6854 6.6854 6.9195 6.9195 7.1035 7.1035 7.3761 7.3761 9.5537 9.5537 9.8824 9.8824 10.4752 10.4752 10.8013 10.8013 10.9680 10.9680 11.2603 11.2603 k =-0.2703 0.6705 0.7229 ( 8621 PWs) bands (ev): -19.8462 -19.8462 -19.8460 -19.8460 -19.2432 -19.2432 -19.1955 -19.1955 -9.4650 -9.4650 -6.5548 -6.5548 -6.5169 -6.5169 -6.0878 -6.0878 -5.7855 -5.7855 -4.6786 -4.6786 -4.6013 -4.6013 -4.5256 -4.5256 -4.4189 -4.4189 -4.2610 -4.2610 -4.0251 -4.0251 -3.9896 -3.9896 -3.3436 -3.3436 0.4678 0.4678 0.4792 0.4792 4.7071 4.7071 4.9816 4.9816 5.8119 5.8119 6.2228 6.2228 6.4262 6.4262 6.6846 6.6846 6.9218 6.9218 7.1012 7.1012 7.3764 7.3764 9.5540 9.5540 9.8828 9.8828 10.4806 10.4806 10.8030 10.8030 10.9622 10.9622 11.2614 11.2614 k =-0.2703 0.6705 0.7229 ( 8621 PWs) bands (ev): -19.8462 -19.8462 -19.8460 -19.8460 -19.2432 -19.2432 -19.1955 -19.1955 -9.4650 -9.4650 -6.5548 -6.5548 -6.5169 -6.5169 -6.0878 -6.0878 -5.7855 -5.7855 -4.6786 -4.6786 -4.6013 -4.6013 -4.5256 -4.5256 -4.4189 -4.4189 -4.2610 -4.2610 -4.0251 -4.0251 -3.9896 -3.9896 -3.3436 -3.3436 0.4678 0.4678 0.4792 0.4792 4.7071 4.7071 4.9816 4.9816 5.8119 5.8119 6.2228 6.2228 6.4262 6.4262 6.6846 6.6846 6.9218 6.9218 7.1012 7.1012 7.3764 7.3764 9.5540 9.5540 9.8828 9.8828 10.4806 10.4806 10.8030 10.8030 10.9622 10.9622 11.2614 11.2614 k =-0.2624 0.6508 0.7017 ( 8611 PWs) bands (ev): -19.8467 -19.8467 -19.8455 -19.8455 -19.2346 -19.2346 -19.2040 -19.2040 -9.4689 -9.4689 -6.5532 -6.5532 -6.5191 -6.5191 -6.0853 -6.0853 -5.7849 -5.7849 -4.6786 -4.6786 -4.6011 -4.6011 -4.5273 -4.5273 -4.4201 -4.4201 -4.2534 -4.2534 -4.0237 -4.0237 -3.9957 -3.9957 -3.3383 -3.3383 0.4700 0.4700 0.4813 0.4813 4.6898 4.6898 4.9814 4.9814 5.7953 5.7953 6.2381 6.2381 6.4268 6.4268 6.6905 6.6905 6.9240 6.9240 7.0833 7.0833 7.3560 7.3560 9.5820 9.5820 9.8468 9.8468 10.5277 10.5277 10.7641 10.7641 10.9807 10.9807 11.3033 11.3033 k =-0.2544 0.6311 0.6804 ( 8619 PWs) bands (ev): -19.8472 -19.8472 -19.8449 -19.8449 -19.2271 -19.2271 -19.2115 -19.2115 -9.4709 -9.4709 -6.5517 -6.5517 -6.5210 -6.5210 -6.0840 -6.0840 -5.7844 -5.7844 -4.6782 -4.6782 -4.6007 -4.6007 -4.5286 -4.5286 -4.4215 -4.4215 -4.2490 -4.2490 -4.0217 -4.0217 -4.0000 -4.0000 -3.3356 -3.3356 0.4695 0.4695 0.4832 0.4832 4.6809 4.6809 4.9825 4.9825 5.7848 5.7848 6.2550 6.2550 6.4280 6.4280 6.6976 6.6976 6.9228 6.9228 7.0679 7.0679 7.3393 7.3393 9.6075 9.6075 9.8101 9.8101 10.5709 10.5709 10.7157 10.7157 10.9927 10.9927 11.3102 11.3102 k =-0.2465 0.6113 0.6591 ( 8621 PWs) bands (ev): -19.8477 -19.8477 -19.8444 -19.8444 -19.2265 -19.2265 -19.2121 -19.2121 -9.4710 -9.4710 -6.5503 -6.5503 -6.5227 -6.5227 -6.0840 -6.0840 -5.7842 -5.7842 -4.6774 -4.6774 -4.6000 -4.6000 -4.5297 -4.5297 -4.4229 -4.4229 -4.2480 -4.2480 -4.0189 -4.0189 -4.0024 -4.0024 -3.3355 -3.3355 0.4659 0.4659 0.4850 0.4850 4.6806 4.6806 4.9850 4.9850 5.7804 5.7804 6.2732 6.2732 6.4297 6.4297 6.7059 6.7059 6.9185 6.9185 7.0550 7.0550 7.3264 7.3264 9.6294 9.6294 9.7730 9.7730 10.6103 10.6103 10.6601 10.6601 10.9962 10.9962 11.2878 11.2878 k =-0.2385 0.5916 0.6379 ( 8625 PWs) bands (ev): -19.8483 -19.8483 -19.8438 -19.8438 -19.2337 -19.2337 -19.2049 -19.2049 -9.4693 -9.4693 -6.5490 -6.5490 -6.5240 -6.5240 -6.0853 -6.0853 -5.7841 -5.7841 -4.6763 -4.6763 -4.5991 -4.5991 -4.5303 -4.5303 -4.4243 -4.4243 -4.2504 -4.2504 -4.0156 -4.0156 -4.0023 -4.0023 -3.3381 -3.3381 0.4596 0.4596 0.4865 0.4865 4.6889 4.6889 4.9887 4.9887 5.7822 5.7822 6.2923 6.2923 6.4320 6.4320 6.7149 6.7149 6.9116 6.9116 7.0450 7.0450 7.3175 7.3175 9.6471 9.6471 9.7360 9.7360 10.5919 10.5919 10.6535 10.6535 10.9892 10.9892 11.2495 11.2495 k =-0.2306 0.5719 0.6166 ( 8641 PWs) bands (ev): -19.8489 -19.8489 -19.8433 -19.8433 -19.2422 -19.2422 -19.1964 -19.1964 -9.4656 -9.4656 -6.5478 -6.5478 -6.5250 -6.5250 -6.0878 -6.0878 -5.7842 -5.7842 -4.6748 -4.6748 -4.5979 -4.5979 -4.5307 -4.5307 -4.4257 -4.4257 -4.2562 -4.2562 -4.0131 -4.0131 -3.9988 -3.9988 -3.3433 -3.3433 0.4506 0.4506 0.4877 0.4877 4.7057 4.7057 4.9936 4.9936 5.7900 5.7900 6.3118 6.3118 6.4350 6.4350 6.7242 6.7242 6.9029 6.9029 7.0379 7.0379 7.3126 7.3126 9.6599 9.6599 9.6995 9.6995 10.5222 10.5222 10.6912 10.6912 10.9701 10.9701 11.2013 11.2013 k =-0.2226 0.5522 0.5954 ( 8645 PWs) bands (ev): -19.8496 -19.8496 -19.8428 -19.8428 -19.2510 -19.2510 -19.1878 -19.1878 -9.4601 -9.4601 -6.5469 -6.5469 -6.5257 -6.5257 -6.0915 -6.0915 -5.7845 -5.7845 -4.6730 -4.6730 -4.5964 -4.5964 -4.5307 -4.5307 -4.4272 -4.4272 -4.2650 -4.2650 -4.0117 -4.0117 -3.9918 -3.9918 -3.3509 -3.3509 0.4390 0.4390 0.4884 0.4884 4.7308 4.7308 4.9998 4.9998 5.8036 5.8036 6.3315 6.3315 6.4387 6.4387 6.7327 6.7327 6.8937 6.8937 7.0342 7.0342 7.3117 7.3117 9.6630 9.6630 9.6686 9.6686 10.4460 10.4460 10.7294 10.7294 10.9376 10.9376 11.1457 11.1457 k =-0.2147 0.5325 0.5741 ( 8647 PWs) bands (ev): -19.8502 -19.8502 -19.8423 -19.8423 -19.2598 -19.2598 -19.1791 -19.1791 -9.4528 -9.4528 -6.5461 -6.5461 -6.5260 -6.5260 -6.0965 -6.0965 -5.7850 -5.7850 -4.6709 -4.6709 -4.5949 -4.5949 -4.5305 -4.5305 -4.4285 -4.4285 -4.2763 -4.2763 -4.0109 -4.0109 -3.9825 -3.9825 -3.3606 -3.3606 0.4250 0.4250 0.4888 0.4888 4.7641 4.7641 5.0070 5.0070 5.8228 5.8228 6.3507 6.3507 6.4432 6.4432 6.7387 6.7387 6.8858 6.8858 7.0343 7.0343 7.3149 7.3149 9.6294 9.6294 9.6710 9.6710 10.3649 10.3649 10.7655 10.7655 10.8917 10.8917 11.0844 11.0844 k =-0.2067 0.5127 0.5528 ( 8649 PWs) bands (ev): -19.8509 -19.8509 -19.8418 -19.8418 -19.2685 -19.2685 -19.1704 -19.1704 -9.4437 -9.4437 -6.5455 -6.5455 -6.5259 -6.5259 -6.1027 -6.1027 -5.7856 -5.7856 -4.6685 -4.6685 -4.5931 -4.5931 -4.5301 -4.5301 -4.4298 -4.4298 -4.2898 -4.2898 -4.0102 -4.0102 -3.9718 -3.9718 -3.3720 -3.3720 0.4087 0.4087 0.4887 0.4887 4.8053 4.8053 5.0154 5.0154 5.8473 5.8473 6.3692 6.3692 6.4487 6.4487 6.7400 6.7400 6.8815 6.8815 7.0387 7.0387 7.3220 7.3220 9.5967 9.5967 9.6698 9.6698 10.2800 10.2800 10.7927 10.7927 10.8346 10.8346 11.0196 11.0196 k =-0.1988 0.4930 0.5316 ( 8647 PWs) bands (ev): -19.8516 -19.8516 -19.8414 -19.8414 -19.2772 -19.2772 -19.1619 -19.1619 -9.4329 -9.4329 -6.5451 -6.5451 -6.5255 -6.5255 -6.1100 -6.1100 -5.7864 -5.7864 -4.6657 -4.6657 -4.5913 -4.5913 -4.5295 -4.5295 -4.4310 -4.4310 -4.3052 -4.3052 -4.0097 -4.0097 -3.9602 -3.9602 -3.3848 -3.3848 0.3903 0.3903 0.4882 0.4882 4.8539 4.8539 5.0248 5.0248 5.8765 5.8765 6.3863 6.3863 6.4553 6.4553 6.7352 6.7352 6.8824 6.8824 7.0481 7.0481 7.3331 7.3331 9.5660 9.5660 9.6651 9.6651 10.1922 10.1922 10.7585 10.7585 10.8053 10.8053 10.9553 10.9553 k =-0.1908 0.4733 0.5103 ( 8651 PWs) bands (ev): -19.8523 -19.8523 -19.8409 -19.8409 -19.2858 -19.2858 -19.1536 -19.1536 -9.4204 -9.4204 -6.5449 -6.5449 -6.5248 -6.5248 -6.1186 -6.1186 -5.7873 -5.7873 -4.6628 -4.6628 -4.5894 -4.5894 -4.5288 -4.5288 -4.4321 -4.4321 -4.3220 -4.3220 -4.0091 -4.0091 -3.9483 -3.9483 -3.3985 -3.3985 0.3698 0.3698 0.4874 0.4874 4.9096 4.9096 5.0352 5.0352 5.9096 5.9096 6.4019 6.4019 6.4634 6.4634 6.7244 6.7244 6.8887 6.8887 7.0628 7.0628 7.3481 7.3481 9.5374 9.5374 9.6577 9.6577 10.1023 10.1023 10.6801 10.6801 10.7684 10.7684 10.8912 10.8912 k =-0.1829 0.4536 0.4890 ( 8653 PWs) bands (ev): -19.8531 -19.8531 -19.8405 -19.8405 -19.2942 -19.2942 -19.1454 -19.1454 -9.4063 -9.4063 -6.5446 -6.5446 -6.5239 -6.5239 -6.1282 -6.1282 -5.7883 -5.7883 -4.6596 -4.6596 -4.5877 -4.5877 -4.5282 -4.5282 -4.4329 -4.4329 -4.3400 -4.3400 -4.0087 -4.0087 -3.9363 -3.9363 -3.4124 -3.4124 0.3476 0.3476 0.4862 0.4862 4.9718 4.9718 5.0465 5.0465 5.9458 5.9458 6.4156 6.4156 6.4731 6.4731 6.7097 6.7097 6.8990 6.8990 7.0828 7.0828 7.3669 7.3669 9.5113 9.5113 9.6485 9.6485 10.0113 10.0113 10.5934 10.5934 10.6978 10.6978 10.8207 10.8207 k =-0.1749 0.4339 0.4678 ( 8651 PWs) bands (ev): -19.8538 -19.8538 -19.8401 -19.8401 -19.3024 -19.3024 -19.1374 -19.1374 -9.3908 -9.3908 -6.5444 -6.5444 -6.5229 -6.5229 -6.1389 -6.1389 -5.7894 -5.7894 -4.6563 -4.6563 -4.5861 -4.5861 -4.5277 -4.5277 -4.4336 -4.4336 -4.3588 -4.3588 -4.0085 -4.0085 -3.9247 -3.9247 -3.4261 -3.4261 0.3237 0.3237 0.4847 0.4847 5.0401 5.0401 5.0586 5.0586 5.9837 5.9837 6.4276 6.4276 6.4846 6.4846 6.6936 6.6936 6.9121 6.9121 7.1079 7.1079 7.3893 7.3893 9.4880 9.4880 9.6382 9.6382 9.9199 9.9199 10.5014 10.5014 10.6132 10.6132 10.7454 10.7454 k =-0.1670 0.4141 0.4465 ( 8655 PWs) bands (ev): -19.8546 -19.8546 -19.8397 -19.8397 -19.3104 -19.3104 -19.1296 -19.1296 -9.3738 -9.3738 -6.5442 -6.5442 -6.5218 -6.5218 -6.1507 -6.1507 -5.7906 -5.7906 -4.6530 -4.6530 -4.5848 -4.5848 -4.5275 -4.5275 -4.4341 -4.4341 -4.3780 -4.3780 -4.0084 -4.0084 -3.9137 -3.9137 -3.4390 -3.4390 0.2985 0.2985 0.4830 0.4830 5.0714 5.0714 5.1140 5.1140 6.0213 6.0213 6.4383 6.4383 6.4983 6.4983 6.6786 6.6786 6.9269 6.9269 7.1375 7.1375 7.4152 7.4152 9.4675 9.4675 9.6274 9.6274 9.8290 9.8290 10.4059 10.4059 10.5244 10.5244 10.6681 10.6681 k =-0.1590 0.3944 0.4253 ( 8647 PWs) bands (ev): -19.8553 -19.8553 -19.8394 -19.8394 -19.3182 -19.3182 -19.1220 -19.1220 -9.3556 -9.3556 -6.5439 -6.5439 -6.5207 -6.5207 -6.1634 -6.1634 -5.7918 -5.7918 -4.6496 -4.6496 -4.5841 -4.5841 -4.5277 -4.5277 -4.4344 -4.4344 -4.3970 -4.3970 -4.0086 -4.0086 -3.9034 -3.9034 -3.4507 -3.4507 0.2721 0.2721 0.4809 0.4809 5.0849 5.0849 5.1927 5.1927 6.0561 6.0561 6.4482 6.4482 6.5147 6.5147 6.6669 6.6669 6.9429 6.9429 7.1710 7.1710 7.4446 7.4446 9.4500 9.4500 9.6160 9.6160 9.7396 9.7396 10.3084 10.3084 10.4350 10.4350 10.5902 10.5902 k =-0.1511 0.3747 0.4040 ( 8649 PWs) bands (ev): -19.8561 -19.8561 -19.8391 -19.8391 -19.3258 -19.3258 -19.1147 -19.1147 -9.3363 -9.3363 -6.5435 -6.5435 -6.5196 -6.5196 -6.1770 -6.1770 -5.7931 -5.7931 -4.6465 -4.6465 -4.5841 -4.5841 -4.5287 -4.5287 -4.4351 -4.4351 -4.4148 -4.4148 -4.0090 -4.0090 -3.8942 -3.8942 -3.4606 -3.4606 0.2449 0.2449 0.4787 0.4787 5.0990 5.0990 5.2755 5.2755 6.0847 6.0847 6.4578 6.4578 6.5356 6.5356 6.6604 6.6604 6.9599 6.9599 7.2076 7.2076 7.4770 7.4770 9.4358 9.4358 9.6015 9.6015 9.6555 9.6555 10.2101 10.2101 10.3470 10.3470 10.5122 10.5122 k =-0.1431 0.3550 0.3827 ( 8633 PWs) bands (ev): -19.8569 -19.8569 -19.8387 -19.8387 -19.3331 -19.3331 -19.1077 -19.1077 -9.3160 -9.3160 -6.5430 -6.5430 -6.5185 -6.5185 -6.1914 -6.1914 -5.7944 -5.7944 -4.6441 -4.6441 -4.5852 -4.5852 -4.5304 -4.5304 -4.4391 -4.4391 -4.4274 -4.4274 -4.0097 -4.0097 -3.8861 -3.8861 -3.4686 -3.4686 0.2170 0.2170 0.4762 0.4762 5.1135 5.1135 5.3618 5.3618 6.1041 6.1041 6.4670 6.4670 6.5638 6.5638 6.6600 6.6600 6.9779 6.9779 7.2465 7.2465 7.5122 7.5122 9.4249 9.4249 9.5531 9.5531 9.6083 9.6083 10.1121 10.1121 10.2612 10.2612 10.4349 10.4349 k =-0.1352 0.3352 0.3615 ( 8629 PWs) bands (ev): -19.8576 -19.8576 -19.8384 -19.8384 -19.3401 -19.3401 -19.1010 -19.1010 -9.2948 -9.2948 -6.5424 -6.5424 -6.5175 -6.5175 -6.2066 -6.2066 -5.7957 -5.7957 -4.6429 -4.6429 -4.5875 -4.5875 -4.5329 -4.5329 -4.4505 -4.4505 -4.4299 -4.4299 -4.0108 -4.0108 -3.8791 -3.8791 -3.4743 -3.4743 0.1888 0.1888 0.4736 0.4736 5.1284 5.1284 5.4508 5.4508 6.1122 6.1122 6.4757 6.4757 6.6017 6.6017 6.6657 6.6657 6.9966 6.9966 7.2871 7.2871 7.5498 7.5498 9.4169 9.4169 9.4741 9.4741 9.5957 9.5957 10.0152 10.0152 10.1782 10.1782 10.3587 10.3587 k =-0.1272 0.3155 0.3402 ( 8621 PWs) bands (ev): -19.8583 -19.8583 -19.8382 -19.8382 -19.3469 -19.3469 -19.0945 -19.0945 -9.2730 -9.2730 -6.5418 -6.5418 -6.5166 -6.5166 -6.2224 -6.2224 -5.7970 -5.7970 -4.6442 -4.6442 -4.5906 -4.5906 -4.5358 -4.5358 -4.4616 -4.4616 -4.4295 -4.4295 -4.0122 -4.0122 -3.8732 -3.8732 -3.4777 -3.4777 0.1604 0.1604 0.4709 0.4709 5.1435 5.1435 5.5417 5.5417 6.1092 6.1092 6.4836 6.4836 6.6501 6.6501 6.6768 6.6768 7.0161 7.0161 7.3289 7.3289 7.5891 7.5891 9.3898 9.3898 9.4176 9.4176 9.5876 9.5876 9.9199 9.9199 10.0984 10.0984 10.2841 10.2841 k =-0.1193 0.2958 0.3189 ( 8631 PWs) bands (ev): -19.8590 -19.8590 -19.8379 -19.8379 -19.3533 -19.3533 -19.0884 -19.0884 -9.2508 -9.2508 -6.5410 -6.5410 -6.5158 -6.5158 -6.2387 -6.2387 -5.7983 -5.7983 -4.6499 -4.6499 -4.5932 -4.5932 -4.5386 -4.5386 -4.4701 -4.4701 -4.4283 -4.4283 -4.0139 -4.0139 -3.8683 -3.8683 -3.4790 -3.4790 0.1322 0.1322 0.4681 0.4681 5.1587 5.1587 5.6337 5.6337 6.0970 6.0970 6.4909 6.4909 6.6917 6.6917 6.7087 6.7087 7.0363 7.0363 7.3717 7.3717 7.6295 7.6295 9.3153 9.3153 9.4152 9.4152 9.5810 9.5810 9.8270 9.8270 10.0220 10.0220 10.2117 10.2117 k =-0.1113 0.2761 0.2977 ( 8623 PWs) bands (ev): -19.8597 -19.8597 -19.8377 -19.8377 -19.3593 -19.3593 -19.0826 -19.0826 -9.2282 -9.2282 -6.5401 -6.5401 -6.5150 -6.5150 -6.2553 -6.2553 -5.7996 -5.7996 -4.6610 -4.6610 -4.5939 -4.5939 -4.5408 -4.5408 -4.4762 -4.4762 -4.4267 -4.4267 -4.0158 -4.0158 -3.8642 -3.8642 -3.4782 -3.4782 0.1043 0.1043 0.4652 0.4652 5.1739 5.1739 5.7258 5.7258 6.0780 6.0780 6.4979 6.4979 6.7109 6.7109 6.7739 6.7739 7.0574 7.0574 7.4150 7.4150 7.6703 7.6703 9.2431 9.2431 9.4182 9.4182 9.5752 9.5752 9.7369 9.7369 9.9493 9.9493 10.1418 10.1418 k =-0.1034 0.2564 0.2764 ( 8617 PWs) bands (ev): -19.8604 -19.8604 -19.8375 -19.8375 -19.3651 -19.3651 -19.0772 -19.0772 -9.2057 -9.2057 -6.5392 -6.5392 -6.5144 -6.5144 -6.2722 -6.2722 -5.8009 -5.8009 -4.6769 -4.6769 -4.5923 -4.5923 -4.5424 -4.5424 -4.4805 -4.4805 -4.4249 -4.4249 -4.0180 -4.0180 -3.8609 -3.8609 -3.4757 -3.4757 0.0772 0.0772 0.4624 0.4624 5.1889 5.1889 5.8169 5.8169 6.0551 6.0551 6.5046 6.5046 6.7325 6.7325 6.8440 6.8440 7.0797 7.0797 7.4588 7.4588 7.7104 7.7104 9.1757 9.1757 9.4248 9.4248 9.5698 9.5698 9.6499 9.6499 9.8805 9.8805 10.0750 10.0750 k =-0.0954 0.2366 0.2552 ( 8633 PWs) bands (ev): -19.8610 -19.8610 -19.8373 -19.8373 -19.3704 -19.3704 -19.0721 -19.0721 -9.1833 -9.1833 -6.5381 -6.5381 -6.5140 -6.5140 -6.2892 -6.2892 -5.8021 -5.8021 -4.6959 -4.6959 -4.5891 -4.5891 -4.5435 -4.5435 -4.4838 -4.4838 -4.4229 -4.4229 -4.0203 -4.0203 -3.8580 -3.8580 -3.4719 -3.4719 0.0509 0.0509 0.4595 0.4595 5.2035 5.2035 5.9045 5.9045 6.0314 6.0314 6.5112 6.5112 6.7563 6.7563 6.9157 6.9157 7.1042 7.1042 7.5030 7.5030 7.7491 7.7491 9.1141 9.1141 9.4346 9.4346 9.5624 9.5624 9.5683 9.5683 9.8160 9.8160 10.0115 10.0115 k =-0.0875 0.2169 0.2339 ( 8627 PWs) bands (ev): -19.8617 -19.8617 -19.8371 -19.8371 -19.3754 -19.3754 -19.0674 -19.0674 -9.1614 -9.1614 -6.5370 -6.5370 -6.5136 -6.5136 -6.3060 -6.3060 -5.8033 -5.8033 -4.7165 -4.7165 -4.5849 -4.5849 -4.5442 -4.5442 -4.4864 -4.4864 -4.4208 -4.4208 -4.0226 -4.0226 -3.8556 -3.8556 -3.4670 -3.4670 0.0257 0.0257 0.4567 0.4567 5.2178 5.2178 5.9712 5.9712 6.0252 6.0252 6.5176 6.5176 6.7816 6.7816 6.9850 6.9850 7.1328 7.1328 7.5475 7.5475 7.7855 7.7855 9.0591 9.0591 9.4473 9.4473 9.4870 9.4870 9.5572 9.5572 9.7569 9.7569 9.9520 9.9520 k =-0.0795 0.1972 0.2126 ( 8621 PWs) bands (ev): -19.8622 -19.8622 -19.8369 -19.8369 -19.3800 -19.3800 -19.0630 -19.0630 -9.1402 -9.1402 -6.5358 -6.5358 -6.5134 -6.5134 -6.3225 -6.3225 -5.8045 -5.8045 -4.7376 -4.7376 -4.5801 -4.5801 -4.5447 -4.5447 -4.4887 -4.4887 -4.4187 -4.4187 -4.0250 -4.0250 -3.8535 -3.8535 -3.4613 -3.4613 0.0019 0.0019 0.4540 0.4540 5.2314 5.2314 5.9637 5.9637 6.0897 6.0897 6.5239 6.5239 6.8080 6.8080 7.0461 7.0461 7.1691 7.1691 7.5926 7.5926 7.8187 7.8187 9.0114 9.0114 9.4118 9.4118 9.4626 9.4626 9.5464 9.5464 9.7050 9.7050 9.8967 9.8967 k =-0.0716 0.1775 0.1914 ( 8615 PWs) bands (ev): -19.8627 -19.8627 -19.8368 -19.8368 -19.3842 -19.3842 -19.0591 -19.0591 -9.1200 -9.1200 -6.5345 -6.5345 -6.5133 -6.5133 -6.3384 -6.3384 -5.8056 -5.8056 -4.7582 -4.7582 -4.5751 -4.5751 -4.5450 -4.5450 -4.4909 -4.4909 -4.4166 -4.4166 -4.0272 -4.0272 -3.8515 -3.8515 -3.4553 -3.4553 -0.0203 -0.0203 0.4515 0.4515 5.2442 5.2442 5.9396 5.9396 6.1674 6.1674 6.5300 6.5300 6.8347 6.8347 7.0936 7.0936 7.2160 7.2160 7.6387 7.6387 7.8484 7.8484 8.9715 8.9715 9.3414 9.3414 9.4796 9.4796 9.5281 9.5281 9.6638 9.6638 9.8459 9.8459 k =-0.0636 0.1578 0.1701 ( 8615 PWs) bands (ev): -19.8632 -19.8632 -19.8367 -19.8367 -19.3879 -19.3879 -19.0555 -19.0555 -9.1010 -9.1010 -6.5331 -6.5331 -6.5134 -6.5134 -6.3536 -6.3536 -5.8066 -5.8066 -4.7778 -4.7778 -4.5699 -4.5699 -4.5452 -4.5452 -4.4932 -4.4932 -4.4146 -4.4146 -4.0294 -4.0294 -3.8498 -3.8498 -3.4492 -3.4492 -0.0408 -0.0408 0.4491 0.4491 5.2562 5.2562 5.9151 5.9151 6.2416 6.2416 6.5358 6.5358 6.8613 6.8613 7.1289 7.1289 7.2696 7.2696 7.6862 7.6862 7.8744 7.8744 8.9397 8.9397 9.2761 9.2761 9.4935 9.4935 9.5034 9.5034 9.6363 9.6363 9.8002 9.8002 k =-0.0557 0.1380 0.1488 ( 8603 PWs) bands (ev): -19.8637 -19.8637 -19.8365 -19.8365 -19.3913 -19.3913 -19.0523 -19.0523 -9.0834 -9.0834 -6.5317 -6.5317 -6.5137 -6.5137 -6.3677 -6.3677 -5.8075 -5.8075 -4.7960 -4.7960 -4.5648 -4.5648 -4.5451 -4.5451 -4.4957 -4.4957 -4.4127 -4.4127 -4.0314 -4.0314 -3.8482 -3.8482 -3.4432 -3.4432 -0.0594 -0.0594 0.4469 0.4469 5.2671 5.2671 5.8921 5.8921 6.3101 6.3101 6.5414 6.5414 6.8870 6.8870 7.1575 7.1575 7.3213 7.3213 7.7356 7.7356 7.8971 7.8971 8.9158 8.9158 9.2162 9.2162 9.4584 9.4584 9.5181 9.5181 9.6210 9.6210 9.7599 9.7599 k =-0.0477 0.1183 0.1276 ( 8611 PWs) bands (ev): -19.8640 -19.8640 -19.8364 -19.8364 -19.3942 -19.3942 -19.0496 -19.0496 -9.0676 -9.0676 -6.5302 -6.5302 -6.5141 -6.5141 -6.3806 -6.3806 -5.8083 -5.8083 -4.8124 -4.8124 -4.5600 -4.5600 -4.5447 -4.5447 -4.4983 -4.4983 -4.4110 -4.4110 -4.0331 -4.0331 -3.8468 -3.8468 -3.4376 -3.4376 -0.0758 -0.0758 0.4450 0.4450 5.2769 5.2769 5.8714 5.8714 6.3715 6.3715 6.5467 6.5467 6.9110 6.9110 7.1832 7.1832 7.3647 7.3647 7.7866 7.7866 7.9176 7.9176 8.8993 8.8993 9.1624 9.1624 9.4142 9.4142 9.5362 9.5362 9.6131 9.6131 9.7255 9.7255 k =-0.0398 0.0986 0.1063 ( 8607 PWs) bands (ev): -19.8644 -19.8644 -19.8364 -19.8364 -19.3967 -19.3967 -19.0472 -19.0472 -9.0537 -9.0537 -6.5287 -6.5287 -6.5146 -6.5146 -6.3920 -6.3920 -5.8091 -5.8091 -4.8267 -4.8267 -4.5560 -4.5560 -4.5436 -4.5436 -4.5011 -4.5011 -4.4095 -4.4095 -4.0347 -4.0347 -3.8455 -3.8455 -3.4325 -3.4325 -0.0899 -0.0899 0.4433 0.4433 5.2854 5.2854 5.8532 5.8532 6.4247 6.4247 6.5519 6.5519 6.9326 6.9326 7.2078 7.2078 7.3964 7.3964 7.8372 7.8372 7.9375 7.9375 8.8891 8.8891 9.1151 9.1151 9.3687 9.3687 9.5523 9.5523 9.6092 9.6092 9.6978 9.6978 k =-0.0318 0.0789 0.0851 ( 8607 PWs) bands (ev): -19.8646 -19.8646 -19.8363 -19.8363 -19.3987 -19.3987 -19.0453 -19.0453 -9.0421 -9.0421 -6.5271 -6.5271 -6.5154 -6.5154 -6.4017 -6.4017 -5.8097 -5.8097 -4.8386 -4.8386 -4.5532 -4.5532 -4.5414 -4.5414 -4.5041 -4.5041 -4.4082 -4.4082 -4.0359 -4.0359 -3.8445 -3.8445 -3.4282 -3.4282 -0.1017 -0.1017 0.4418 0.4418 5.2925 5.2925 5.8380 5.8380 6.4685 6.4685 6.5572 6.5572 6.9511 6.9511 7.2318 7.2318 7.4156 7.4156 7.8824 7.8824 7.9599 7.9599 8.8836 8.8836 9.0750 9.0750 9.3247 9.3247 9.5645 9.5645 9.6073 9.6073 9.6776 9.6776 k =-0.0239 0.0592 0.0638 ( 8605 PWs) bands (ev): -19.8649 -19.8649 -19.8363 -19.8363 -19.4003 -19.4003 -19.0438 -19.0438 -9.0328 -9.0328 -6.5255 -6.5255 -6.5163 -6.5163 -6.4095 -6.4095 -5.8102 -5.8102 -4.8481 -4.8481 -4.5517 -4.5517 -4.5382 -4.5382 -4.5073 -4.5073 -4.4072 -4.4072 -4.0369 -4.0369 -3.8436 -3.8436 -3.4247 -3.4247 -0.1110 -0.1110 0.4407 0.4407 5.2981 5.2981 5.8260 5.8260 6.5016 6.5016 6.5632 6.5632 6.9659 6.9659 7.2547 7.2547 7.4238 7.4238 7.9153 7.9153 7.9879 7.9879 8.8815 8.8815 9.0427 9.0427 9.2851 9.2851 9.5714 9.5714 9.6064 9.6064 9.6656 9.6656 k =-0.0159 0.0394 0.0425 ( 8597 PWs) bands (ev): -19.8650 -19.8650 -19.8362 -19.8362 -19.4015 -19.4015 -19.0427 -19.0427 -9.0261 -9.0261 -6.5239 -6.5239 -6.5174 -6.5174 -6.4152 -6.4152 -5.8105 -5.8105 -4.8550 -4.8550 -4.5510 -4.5510 -4.5347 -4.5347 -4.5103 -4.5103 -4.4064 -4.4064 -4.0376 -4.0376 -3.8430 -3.8430 -3.4221 -3.4221 -0.1176 -0.1176 0.4399 0.4399 5.3022 5.3022 5.8173 5.8173 6.5228 6.5228 6.5703 6.5703 6.9766 6.9766 7.2751 7.2751 7.4242 7.4242 7.9344 7.9344 8.0179 8.0179 8.8812 8.8812 9.0190 9.0190 9.2532 9.2532 9.5733 9.5733 9.6060 9.6060 9.6608 9.6608 k =-0.0080 0.0197 0.0213 ( 8605 PWs) bands (ev): -19.8651 -19.8651 -19.8362 -19.8362 -19.4022 -19.4022 -19.0421 -19.0421 -9.0220 -9.0220 -6.5225 -6.5225 -6.5185 -6.5185 -6.4186 -6.4186 -5.8107 -5.8107 -4.8591 -4.8591 -4.5507 -4.5507 -4.5318 -4.5318 -4.5128 -4.5128 -4.4060 -4.4060 -4.0381 -4.0381 -3.8426 -3.8426 -3.4206 -3.4206 -0.1217 -0.1217 0.4394 0.4394 5.3047 5.3047 5.8120 5.8120 6.5334 6.5334 6.5769 6.5769 6.9832 6.9832 7.2899 7.2899 7.4210 7.4210 7.9442 7.9442 8.0403 8.0403 8.8816 8.8816 9.0044 9.0044 9.2321 9.2321 9.5728 9.5728 9.6058 9.6058 9.6599 9.6599 k = 0.0000 0.0000 0.0000 ( 8613 PWs) bands (ev): -19.8651 -19.8651 -19.8362 -19.8362 -19.4024 -19.4024 -19.0419 -19.0419 -9.0206 -9.0206 -6.5217 -6.5217 -6.5192 -6.5192 -6.4198 -6.4198 -5.8108 -5.8108 -4.8605 -4.8605 -4.5506 -4.5506 -4.5307 -4.5307 -4.5138 -4.5138 -4.4058 -4.4058 -4.0382 -4.0382 -3.8425 -3.8425 -3.4200 -3.4200 -0.1230 -0.1230 0.4392 0.4392 5.3055 5.3055 5.8103 5.8103 6.5365 6.5365 6.5797 6.5797 6.9853 6.9853 7.2956 7.2956 7.4191 7.4191 7.9472 7.9472 8.0485 8.0485 8.8818 8.8818 8.9995 8.9995 9.2248 9.2248 9.5724 9.5724 9.6057 9.6057 9.6600 9.6600 k = 0.0000 0.0000 0.0000 ( 8613 PWs) bands (ev): -19.8651 -19.8651 -19.8362 -19.8362 -19.4024 -19.4024 -19.0419 -19.0419 -9.0206 -9.0206 -6.5217 -6.5217 -6.5192 -6.5192 -6.4198 -6.4198 -5.8108 -5.8108 -4.8605 -4.8605 -4.5506 -4.5506 -4.5307 -4.5307 -4.5138 -4.5138 -4.4058 -4.4058 -4.0382 -4.0382 -3.8425 -3.8425 -3.4200 -3.4200 -0.1230 -0.1230 0.4392 0.4392 5.3055 5.3055 5.8103 5.8103 6.5365 6.5365 6.5797 6.5797 6.9853 6.9853 7.2956 7.2956 7.4191 7.4191 7.9472 7.9472 8.0485 8.0485 8.8818 8.8818 8.9995 8.9995 9.2248 9.2248 9.5724 9.5724 9.6057 9.6057 9.6600 9.6600 k = 0.0278 0.0112-0.0000 ( 8617 PWs) bands (ev): -19.8651 -19.8651 -19.8362 -19.8362 -19.4024 -19.4024 -19.0419 -19.0419 -9.0206 -9.0206 -6.5267 -6.5267 -6.5141 -6.5141 -6.4198 -6.4198 -5.8109 -5.8109 -4.8606 -4.8606 -4.5521 -4.5521 -4.5289 -4.5289 -4.5138 -4.5138 -4.4058 -4.4058 -4.0383 -4.0383 -3.8430 -3.8430 -3.4200 -3.4200 -0.1220 -0.1220 0.4387 0.4387 5.3039 5.3039 5.8138 5.8138 6.5365 6.5365 6.5797 6.5797 6.9839 6.9839 7.2939 7.2939 7.4175 7.4175 7.9435 7.9435 8.0502 8.0502 8.8722 8.8722 8.9997 8.9997 9.2368 9.2368 9.5760 9.5760 9.6031 9.6031 9.6637 9.6637 k = 0.0556 0.0224-0.0000 ( 8609 PWs) bands (ev): -19.8650 -19.8650 -19.8364 -19.8364 -19.4024 -19.4024 -19.0419 -19.0419 -9.0206 -9.0206 -6.5326 -6.5326 -6.5080 -6.5080 -6.4198 -6.4198 -5.8111 -5.8111 -4.8609 -4.8609 -4.5554 -4.5554 -4.5245 -4.5245 -4.5139 -4.5139 -4.4056 -4.4056 -4.0383 -4.0383 -3.8445 -3.8445 -3.4201 -3.4201 -0.1190 -0.1190 0.4371 0.4371 5.2994 5.2994 5.8239 5.8239 6.5364 6.5364 6.5795 6.5795 6.9797 6.9797 7.2889 7.2889 7.4125 7.4125 7.9331 7.9331 8.0550 8.0550 8.8470 8.8470 9.0004 9.0004 9.2693 9.2693 9.5850 9.5850 9.5971 9.5971 9.6748 9.6748 k = 0.0833 0.0336-0.0000 ( 8621 PWs) bands (ev): -19.8648 -19.8648 -19.8366 -19.8366 -19.4024 -19.4024 -19.0419 -19.0419 -9.0205 -9.0205 -6.5384 -6.5384 -6.5017 -6.5017 -6.4198 -6.4198 -5.8114 -5.8114 -4.8613 -4.8613 -4.5594 -4.5594 -4.5188 -4.5188 -4.5140 -4.5140 -4.4053 -4.4053 -4.0385 -4.0385 -3.8470 -3.8470 -3.4201 -3.4201 -0.1141 -0.1141 0.4345 0.4345 5.2927 5.2927 5.8397 5.8397 6.5364 6.5364 6.5793 6.5793 6.9729 6.9729 7.2810 7.2810 7.4035 7.4035 7.9176 7.9176 8.0628 8.0628 8.8126 8.8126 9.0016 9.0016 9.3160 9.3160 9.5768 9.5768 9.6097 9.6097 9.6932 9.6932 k = 0.1111 0.0448-0.0000 ( 8633 PWs) bands (ev): -19.8645 -19.8645 -19.8368 -19.8368 -19.4024 -19.4024 -19.0419 -19.0419 -9.0205 -9.0205 -6.5439 -6.5439 -6.4956 -6.4956 -6.4199 -6.4199 -5.8118 -5.8118 -4.8619 -4.8619 -4.5635 -4.5635 -4.5141 -4.5141 -4.5125 -4.5125 -4.4048 -4.4048 -4.0387 -4.0387 -3.8504 -3.8504 -3.4202 -3.4202 -0.1074 -0.1074 0.4308 0.4308 5.2848 5.2848 5.8598 5.8598 6.5364 6.5364 6.5790 6.5790 6.9640 6.9640 7.2704 7.2704 7.3901 7.3901 7.8993 7.8993 8.0730 8.0730 8.7739 8.7739 9.0031 9.0031 9.3714 9.3714 9.5558 9.5558 9.6361 9.6361 9.7189 9.7189 k = 0.1389 0.0560-0.0000 ( 8621 PWs) bands (ev): -19.8642 -19.8642 -19.8372 -19.8372 -19.4023 -19.4023 -19.0419 -19.0419 -9.0205 -9.0205 -6.5493 -6.5493 -6.4895 -6.4895 -6.4199 -6.4199 -5.8124 -5.8124 -4.8627 -4.8627 -4.5673 -4.5673 -4.5143 -4.5143 -4.5058 -4.5058 -4.4043 -4.4043 -4.0390 -4.0390 -3.8546 -3.8546 -3.4203 -3.4203 -0.0989 -0.0989 0.4261 0.4261 5.2768 5.2768 5.8825 5.8825 6.5364 6.5364 6.5787 6.5787 6.9535 6.9535 7.2579 7.2579 7.3718 7.3718 7.8807 7.8807 8.0852 8.0852 8.7342 8.7342 9.0049 9.0049 9.4324 9.4324 9.5278 9.5278 9.6703 9.6703 9.7516 9.7516 k = 0.1667 0.0672-0.0000 ( 8605 PWs) bands (ev): -19.8638 -19.8638 -19.8376 -19.8376 -19.4023 -19.4023 -19.0419 -19.0419 -9.0204 -9.0204 -6.5543 -6.5543 -6.4835 -6.4835 -6.4199 -6.4199 -5.8130 -5.8130 -4.8636 -4.8636 -4.5710 -4.5710 -4.5145 -4.5145 -4.4988 -4.4988 -4.4037 -4.4037 -4.0393 -4.0393 -3.8596 -3.8596 -3.4203 -3.4203 -0.0888 -0.0888 0.4204 0.4204 5.2695 5.2695 5.9061 5.9061 6.5364 6.5364 6.5782 6.5782 6.9419 6.9419 7.2438 7.2438 7.3487 7.3487 7.8639 7.8639 8.0988 8.0988 8.6951 8.6951 9.0071 9.0071 9.4938 9.4938 9.4967 9.4967 9.7117 9.7117 9.7911 9.7911 k = 0.1944 0.0784-0.0000 ( 8625 PWs) bands (ev): -19.8633 -19.8633 -19.8381 -19.8381 -19.4023 -19.4023 -19.0419 -19.0419 -9.0203 -9.0203 -6.5591 -6.5591 -6.4778 -6.4778 -6.4199 -6.4199 -5.8138 -5.8138 -4.8645 -4.8645 -4.5743 -4.5743 -4.5147 -4.5147 -4.4918 -4.4918 -4.4030 -4.4030 -4.0396 -4.0396 -3.8651 -3.8651 -3.4204 -3.4204 -0.0772 -0.0772 0.4137 0.4137 5.2637 5.2637 5.9291 5.9291 6.5364 6.5364 6.5777 6.5777 6.9298 6.9298 7.2289 7.2289 7.3216 7.3216 7.8503 7.8503 8.1132 8.1132 8.6576 8.6576 9.0094 9.0094 9.4548 9.4548 9.5631 9.5631 9.7598 9.7598 9.8372 9.8372 k = 0.2222 0.0896-0.0000 ( 8641 PWs) bands (ev): -19.8628 -19.8628 -19.8386 -19.8386 -19.4023 -19.4023 -19.0419 -19.0419 -9.0203 -9.0203 -6.5635 -6.5635 -6.4723 -6.4723 -6.4200 -6.4200 -5.8145 -5.8145 -4.8656 -4.8656 -4.5773 -4.5773 -4.5150 -4.5150 -4.4847 -4.4847 -4.4023 -4.4023 -4.0400 -4.0400 -3.8711 -3.8711 -3.4205 -3.4205 -0.0645 -0.0645 0.4060 0.4060 5.2600 5.2600 5.9500 5.9500 6.5363 6.5363 6.5772 6.5772 6.9179 6.9179 7.2136 7.2136 7.2918 7.2918 7.8402 7.8402 8.1280 8.1280 8.6224 8.6224 9.0120 9.0120 9.4119 9.4119 9.6302 9.6302 9.8142 9.8142 9.8895 9.8895 k = 0.2500 0.1008-0.0000 ( 8645 PWs) bands (ev): -19.8623 -19.8623 -19.8392 -19.8392 -19.4022 -19.4022 -19.0419 -19.0419 -9.0202 -9.0202 -6.5676 -6.5676 -6.4671 -6.4671 -6.4200 -6.4200 -5.8153 -5.8153 -4.8666 -4.8666 -4.5801 -4.5801 -4.5152 -4.5152 -4.4777 -4.4777 -4.4015 -4.4015 -4.0403 -4.0403 -3.8773 -3.8773 -3.4206 -3.4206 -0.0508 -0.0508 0.3975 0.3975 5.2585 5.2585 5.9676 5.9676 6.5363 6.5363 6.5766 6.5766 6.9067 6.9067 7.1983 7.1983 7.2611 7.2611 7.8336 7.8336 8.1426 8.1426 8.5899 8.5899 9.0147 9.0147 9.3665 9.3665 9.6971 9.6971 9.8746 9.8746 9.9475 9.9475 k = 0.2778 0.1120-0.0000 ( 8665 PWs) bands (ev): -19.8617 -19.8617 -19.8398 -19.8398 -19.4022 -19.4022 -19.0419 -19.0419 -9.0201 -9.0201 -6.5713 -6.5713 -6.4623 -6.4623 -6.4201 -6.4201 -5.8161 -5.8161 -4.8676 -4.8676 -4.5824 -4.5824 -4.5155 -4.5155 -4.4710 -4.4710 -4.4008 -4.4008 -4.0407 -4.0407 -3.8836 -3.8836 -3.4207 -3.4207 -0.0364 -0.0364 0.3883 0.3883 5.2593 5.2593 5.9808 5.9808 6.5363 6.5363 6.5759 6.5759 6.8966 6.8966 7.1837 7.1837 7.2314 7.2314 7.8299 7.8299 8.1566 8.1566 8.5604 8.5604 9.0173 9.0173 9.3203 9.3203 9.7625 9.7625 9.9403 9.9403 10.0107 10.0107 k = 0.3056 0.1232-0.0000 ( 8673 PWs) bands (ev): -19.8611 -19.8611 -19.8405 -19.8405 -19.4022 -19.4022 -19.0419 -19.0419 -9.0200 -9.0200 -6.5746 -6.5746 -6.4580 -6.4580 -6.4201 -6.4201 -5.8169 -5.8169 -4.8686 -4.8686 -4.5845 -4.5845 -4.5157 -4.5157 -4.4647 -4.4647 -4.4001 -4.4001 -4.0411 -4.0411 -3.8897 -3.8897 -3.4208 -3.4208 -0.0217 -0.0217 0.3787 0.3787 5.2624 5.2624 5.9891 5.9891 6.5363 6.5363 6.5753 6.5753 6.8880 6.8880 7.1699 7.1699 7.2043 7.2043 7.8284 7.8284 8.1698 8.1698 8.5340 8.5340 9.0200 9.0200 9.2747 9.2747 9.8253 9.8253 10.0108 10.0108 10.0784 10.0784 k = 0.3333 0.1344-0.0000 ( 8673 PWs) bands (ev): -19.8605 -19.8605 -19.8411 -19.8411 -19.4022 -19.4022 -19.0419 -19.0419 -9.0200 -9.0200 -6.5775 -6.5775 -6.4540 -6.4540 -6.4201 -6.4201 -5.8177 -5.8177 -4.8696 -4.8696 -4.5863 -4.5863 -4.5159 -4.5159 -4.4588 -4.4588 -4.3994 -4.3994 -4.0414 -4.0414 -3.8956 -3.8956 -3.4209 -3.4209 -0.0072 -0.0072 0.3687 0.3687 5.2673 5.2673 5.9926 5.9926 6.5363 6.5363 6.5747 6.5747 6.8809 6.8809 7.1574 7.1574 7.1810 7.1810 7.8285 7.8285 8.1818 8.1818 8.5109 8.5109 9.0224 9.0224 9.2313 9.2313 9.8843 9.8843 10.0851 10.0851 10.1496 10.1496 k = 0.3611 0.1456-0.0000 ( 8665 PWs) bands (ev): -19.8599 -19.8599 -19.8417 -19.8417 -19.4021 -19.4021 -19.0419 -19.0419 -9.0199 -9.0199 -6.5800 -6.5800 -6.4506 -6.4506 -6.4202 -6.4202 -5.8184 -5.8184 -4.8704 -4.8704 -4.5878 -4.5878 -4.5161 -4.5161 -4.4536 -4.4536 -4.3988 -4.3988 -4.0417 -4.0417 -3.9010 -3.9010 -3.4210 -3.4210 0.0068 0.0068 0.3590 0.3590 5.2736 5.2736 5.9919 5.9919 6.5363 6.5363 6.5743 6.5743 6.8753 6.8753 7.1464 7.1464 7.1620 7.1620 7.8294 7.8294 8.1923 8.1923 8.4912 8.4912 9.0247 9.0247 9.1917 9.1917 9.9379 9.9379 10.1620 10.1620 10.2229 10.2229 k = 0.3889 0.1568-0.0000 ( 8677 PWs) bands (ev): -19.8594 -19.8594 -19.8422 -19.8422 -19.4021 -19.4021 -19.0419 -19.0419 -9.0199 -9.0199 -6.5820 -6.5820 -6.4478 -6.4478 -6.4202 -6.4202 -5.8189 -5.8189 -4.8711 -4.8711 -4.5890 -4.5890 -4.5163 -4.5163 -4.4491 -4.4491 -4.3983 -4.3983 -4.0420 -4.0420 -3.9057 -3.9057 -3.4211 -3.4211 0.0196 0.0196 0.3498 0.3498 5.2804 5.2804 5.9881 5.9881 6.5363 6.5363 6.5739 6.5739 6.8711 6.8711 7.1371 7.1371 7.1476 7.1476 7.8308 7.8308 8.2011 8.2011 8.4749 8.4749 9.0267 9.0267 9.1570 9.1570 9.9847 9.9847 10.2397 10.2397 10.2963 10.2963 k = 0.4167 0.1680-0.0000 ( 8665 PWs) bands (ev): -19.8589 -19.8589 -19.8427 -19.8427 -19.4021 -19.4021 -19.0419 -19.0419 -9.0198 -9.0198 -6.5836 -6.5836 -6.4456 -6.4456 -6.4202 -6.4202 -5.8194 -5.8194 -4.8717 -4.8717 -4.5900 -4.5900 -4.5164 -4.5164 -4.4454 -4.4454 -4.3978 -4.3978 -4.0422 -4.0422 -3.9095 -3.9095 -3.4212 -3.4212 0.0306 0.0306 0.3417 0.3417 5.2871 5.2871 5.9827 5.9827 6.5363 6.5363 6.5735 6.5735 6.8680 6.8680 7.1296 7.1296 7.1373 7.1373 7.8323 7.8323 8.2082 8.2082 8.4623 8.4623 9.0283 9.0283 9.1287 9.1287 10.0232 10.0232 10.3151 10.3151 10.3663 10.3663 k = 0.4444 0.1792-0.0000 ( 8649 PWs) bands (ev): -19.8586 -19.8586 -19.8431 -19.8431 -19.4021 -19.4021 -19.0419 -19.0419 -9.0198 -9.0198 -6.5848 -6.5848 -6.4439 -6.4439 -6.4202 -6.4202 -5.8198 -5.8198 -4.8721 -4.8721 -4.5906 -4.5906 -4.5165 -4.5165 -4.4427 -4.4427 -4.3975 -4.3975 -4.0424 -4.0424 -3.9123 -3.9123 -3.4212 -3.4212 0.0391 0.0391 0.3353 0.3353 5.2927 5.2927 5.9774 5.9774 6.5363 6.5363 6.5733 6.5733 6.8658 6.8658 7.1243 7.1243 7.1307 7.1307 7.8335 7.8335 8.2133 8.2133 8.4532 8.4532 9.0294 9.0294 9.1076 9.1076 10.0519 10.0519 10.3826 10.3826 10.4273 10.4273 k = 0.4722 0.1904-0.0000 ( 8665 PWs) bands (ev): -19.8584 -19.8584 -19.8433 -19.8433 -19.4021 -19.4021 -19.0419 -19.0419 -9.0198 -9.0198 -6.5855 -6.5855 -6.4430 -6.4430 -6.4203 -6.4203 -5.8200 -5.8200 -4.8724 -4.8724 -4.5910 -4.5910 -4.5166 -4.5166 -4.4411 -4.4411 -4.3973 -4.3973 -4.0425 -4.0425 -3.9141 -3.9141 -3.4212 -3.4212 0.0446 0.0446 0.3311 0.3311 5.2964 5.2964 5.9735 5.9735 6.5363 6.5363 6.5732 6.5732 6.8645 6.8645 7.1210 7.1210 7.1271 7.1271 7.8343 7.8343 8.2164 8.2164 8.4477 8.4477 9.0302 9.0302 9.0947 9.0947 10.0697 10.0697 10.4326 10.4326 10.4709 10.4709 k = 0.5000 0.2016-0.0000 ( 8650 PWs) bands (ev): -19.8583 -19.8583 -19.8434 -19.8434 -19.4021 -19.4021 -19.0419 -19.0419 -9.0198 -9.0198 -6.5857 -6.5857 -6.4426 -6.4426 -6.4203 -6.4203 -5.8201 -5.8201 -4.8725 -4.8725 -4.5912 -4.5912 -4.5166 -4.5166 -4.4405 -4.4405 -4.3973 -4.3973 -4.0425 -4.0425 -3.9147 -3.9147 -3.4212 -3.4212 0.0464 0.0464 0.3297 0.3297 5.2977 5.2977 5.9721 5.9721 6.5363 6.5363 6.5732 6.5732 6.8641 6.8641 7.1199 7.1199 7.1259 7.1259 7.8346 7.8346 8.2175 8.2175 8.4459 8.4459 9.0304 9.0304 9.0903 9.0903 10.0757 10.0757 10.4516 10.4516 10.4870 10.4870 k = 0.5000 0.2016-0.0000 ( 8650 PWs) bands (ev): -19.8583 -19.8583 -19.8434 -19.8434 -19.4021 -19.4021 -19.0419 -19.0419 -9.0198 -9.0198 -6.5857 -6.5857 -6.4426 -6.4426 -6.4203 -6.4203 -5.8201 -5.8201 -4.8725 -4.8725 -4.5912 -4.5912 -4.5166 -4.5166 -4.4405 -4.4405 -4.3973 -4.3973 -4.0425 -4.0425 -3.9147 -3.9147 -3.4212 -3.4212 0.0464 0.0464 0.3297 0.3297 5.2977 5.2977 5.9721 5.9721 6.5363 6.5363 6.5732 6.5732 6.8641 6.8641 7.1199 7.1199 7.1259 7.1259 7.8346 7.8346 8.2175 8.2175 8.4459 8.4459 9.0304 9.0304 9.0903 9.0903 10.0757 10.0757 10.4516 10.4516 10.4870 10.4870 k = 0.4921 0.2212 0.0212 ( 8662 PWs) bands (ev): -19.8583 -19.8583 -19.8434 -19.8434 -19.4018 -19.4018 -19.0421 -19.0421 -9.0211 -9.0211 -6.5856 -6.5856 -6.4431 -6.4431 -6.4188 -6.4188 -5.8200 -5.8200 -4.8712 -4.8712 -4.5911 -4.5911 -4.5170 -4.5170 -4.4404 -4.4404 -4.3977 -4.3977 -4.0423 -4.0423 -3.9146 -3.9146 -3.4217 -3.4217 0.0475 0.0475 0.3301 0.3301 5.2966 5.2966 5.9737 5.9737 6.5333 6.5333 6.5704 6.5704 6.8569 6.8569 7.0807 7.0807 7.1715 7.1715 7.8267 7.8267 8.2003 8.2003 8.4639 8.4639 9.0354 9.0354 9.0942 9.0942 10.0760 10.0760 10.4510 10.4510 10.4862 10.4862 k = 0.4842 0.2409 0.0424 ( 8658 PWs) bands (ev): -19.8582 -19.8582 -19.8433 -19.8433 -19.4012 -19.4012 -19.0427 -19.0427 -9.0252 -9.0252 -6.5854 -6.5854 -6.4444 -6.4444 -6.4147 -6.4147 -5.8197 -5.8197 -4.8673 -4.8673 -4.5909 -4.5909 -4.5181 -4.5181 -4.4398 -4.4398 -4.3989 -4.3989 -4.0418 -4.0418 -3.9143 -3.9143 -3.4232 -3.4232 0.0508 0.0508 0.3312 0.3312 5.2934 5.2934 5.9786 5.9786 6.5224 6.5224 6.5640 6.5640 6.8358 6.8358 7.0475 7.0475 7.2235 7.2235 7.8031 7.8031 8.1604 8.1604 8.5064 8.5064 9.0499 9.0499 9.1056 9.1056 10.0769 10.0769 10.4490 10.4490 10.4841 10.4841 k = 0.4762 0.2605 0.0635 ( 8670 PWs) bands (ev): -19.8581 -19.8581 -19.8433 -19.8433 -19.4000 -19.4000 -19.0438 -19.0438 -9.0319 -9.0319 -6.5851 -6.5851 -6.4460 -6.4460 -6.4083 -6.4083 -5.8193 -5.8193 -4.8608 -4.8608 -4.5904 -4.5904 -4.5199 -4.5199 -4.4389 -4.4389 -4.4008 -4.4008 -4.0410 -4.0410 -3.9138 -3.9138 -3.4257 -3.4257 0.0562 0.0562 0.3330 0.3330 5.2881 5.2881 5.9867 5.9867 6.5002 6.5002 6.5575 6.5575 6.8031 6.8031 7.0228 7.0228 7.2758 7.2758 7.7654 7.7654 8.1133 8.1133 8.5583 8.5583 9.0735 9.0735 9.1243 9.1243 10.0780 10.0780 10.4452 10.4452 10.4814 10.4814 k = 0.4683 0.2802 0.0847 ( 8666 PWs) bands (ev): -19.8580 -19.8580 -19.8433 -19.8433 -19.3985 -19.3985 -19.0453 -19.0453 -9.0411 -9.0411 -6.5846 -6.5846 -6.4478 -6.4478 -6.4001 -6.4001 -5.8187 -5.8187 -4.8519 -4.8519 -4.5898 -4.5898 -4.5223 -4.5223 -4.4379 -4.4379 -4.4035 -4.4035 -4.0399 -4.0399 -3.9130 -3.9130 -3.4291 -3.4291 0.0636 0.0636 0.3356 0.3356 5.2807 5.2807 5.9979 5.9979 6.4663 6.4663 6.5522 6.5522 6.7626 6.7626 7.0043 7.0043 7.3251 7.3251 7.7167 7.7167 8.0659 8.0659 8.6127 8.6127 9.1052 9.1052 9.1499 9.1499 10.0790 10.0790 10.4392 10.4392 10.4783 10.4783 k = 0.4604 0.2998 0.1059 ( 8672 PWs) bands (ev): -19.8578 -19.8578 -19.8433 -19.8433 -19.3965 -19.3965 -19.0472 -19.0472 -9.0527 -9.0527 -6.5841 -6.5841 -6.4496 -6.4496 -6.3902 -6.3902 -5.8180 -5.8180 -4.8407 -4.8407 -4.5889 -4.5889 -4.5253 -4.5253 -4.4367 -4.4367 -4.4066 -4.4066 -4.0386 -4.0386 -3.9120 -3.9120 -3.4332 -3.4332 0.0731 0.0731 0.3388 0.3388 5.2715 5.2715 6.0119 6.0119 6.4219 6.4219 6.5473 6.5473 6.7181 6.7181 6.9894 6.9894 7.3655 7.3655 7.6635 7.6635 8.0203 8.0203 8.6668 8.6668 9.1438 9.1438 9.1818 9.1818 10.0795 10.0795 10.4307 10.4307 10.4743 10.4743 k = 0.4525 0.3195 0.1271 ( 8668 PWs) bands (ev): -19.8576 -19.8576 -19.8432 -19.8432 -19.3940 -19.3940 -19.0495 -19.0495 -9.0665 -9.0665 -6.5835 -6.5835 -6.4516 -6.4516 -6.3787 -6.3787 -5.8171 -5.8171 -4.8274 -4.8274 -4.5877 -4.5877 -4.5286 -4.5286 -4.4357 -4.4357 -4.4102 -4.4102 -4.0371 -4.0371 -3.9106 -3.9106 -3.4381 -3.4381 0.0845 0.0845 0.3427 0.3427 5.2605 5.2605 6.0286 6.0286 6.3683 6.3683 6.5424 6.5424 6.6723 6.6723 6.9761 6.9761 7.3855 7.3855 7.6190 7.6190 7.9769 7.9769 8.7197 8.7197 9.1874 9.1874 9.2201 9.2201 10.0795 10.0795 10.4189 10.4189 10.4647 10.4647 k = 0.4446 0.3391 0.1483 ( 8668 PWs) bands (ev): -19.8573 -19.8573 -19.8432 -19.8432 -19.3911 -19.3911 -19.0523 -19.0523 -9.0822 -9.0822 -6.5828 -6.5828 -6.4536 -6.4536 -6.3659 -6.3659 -5.8161 -5.8161 -4.8124 -4.8124 -4.5861 -4.5861 -4.5323 -4.5323 -4.4352 -4.4352 -4.4137 -4.4137 -4.0356 -4.0356 -3.9090 -3.9090 -3.4435 -3.4435 0.0977 0.0977 0.3472 0.3472 5.2479 5.2479 6.0477 6.0477 6.3067 6.3067 6.5373 6.5373 6.6268 6.6268 6.9635 6.9635 7.3678 7.3678 7.6015 7.6015 7.9355 7.9355 8.7713 8.7713 9.2330 9.2330 9.2660 9.2660 10.0793 10.0793 10.4009 10.4009 10.4483 10.4483 k = 0.4366 0.3587 0.1695 ( 8668 PWs) bands (ev): -19.8570 -19.8570 -19.8431 -19.8431 -19.3878 -19.3878 -19.0554 -19.0554 -9.0996 -9.0996 -6.5820 -6.5820 -6.4558 -6.4558 -6.3519 -6.3519 -5.8150 -5.8150 -4.7958 -4.7958 -4.5839 -4.5839 -4.5363 -4.5363 -4.4355 -4.4355 -4.4167 -4.4167 -4.0342 -4.0342 -3.9071 -3.9071 -3.4493 -3.4493 0.1126 0.1126 0.3522 0.3522 5.2340 5.2340 6.0688 6.0688 6.2380 6.2380 6.5318 6.5318 6.5829 6.5829 6.9509 6.9509 7.3129 7.3129 7.6108 7.6108 7.8964 7.8964 8.8218 8.8218 9.2775 9.2775 9.3209 9.3209 10.0802 10.0802 10.3753 10.3753 10.4366 10.4366 k = 0.4287 0.3784 0.1906 ( 8670 PWs) bands (ev): -19.8567 -19.8567 -19.8431 -19.8431 -19.3841 -19.3841 -19.0589 -19.0589 -9.1186 -9.1186 -6.5811 -6.5811 -6.4580 -6.4580 -6.3369 -6.3369 -5.8137 -5.8137 -4.7784 -4.7784 -4.5809 -4.5809 -4.5403 -4.5403 -4.4373 -4.4373 -4.4186 -4.4186 -4.0328 -4.0328 -3.9049 -3.9049 -3.4552 -3.4552 0.1290 0.1290 0.3577 0.3577 5.2190 5.2190 6.0910 6.0910 6.1635 6.1635 6.5255 6.5255 6.5417 6.5417 6.9381 6.9381 7.2387 7.2387 7.6286 7.6286 7.8607 7.8607 8.8713 8.8713 9.3208 9.3208 9.3840 9.3840 10.0839 10.0839 10.3465 10.3465 10.4316 10.4316 k = 0.4208 0.3980 0.2118 ( 8662 PWs) bands (ev): -19.8563 -19.8563 -19.8430 -19.8430 -19.3799 -19.3799 -19.0629 -19.0629 -9.1387 -9.1387 -6.5802 -6.5802 -6.4605 -6.4605 -6.3212 -6.3212 -5.8124 -5.8124 -4.7605 -4.7605 -4.5770 -4.5770 -4.5443 -4.5443 -4.4407 -4.4407 -4.4193 -4.4193 -4.0316 -4.0316 -3.9025 -3.9025 -3.4610 -3.4610 0.1468 0.1468 0.3637 0.3637 5.2030 5.2030 6.0811 6.0811 6.1167 6.1167 6.5013 6.5013 6.5210 6.5210 6.9252 6.9252 7.1568 7.1568 7.6415 7.6415 7.8307 7.8307 8.9198 8.9198 9.3636 9.3636 9.4537 9.4537 10.0922 10.0922 10.3180 10.3180 10.4317 10.4317 k = 0.4129 0.4177 0.2330 ( 8650 PWs) bands (ev): -19.8560 -19.8560 -19.8430 -19.8430 -19.3754 -19.3754 -19.0672 -19.0672 -9.1598 -9.1598 -6.5793 -6.5793 -6.4630 -6.4630 -6.3049 -6.3049 -5.8110 -5.8110 -4.7429 -4.7429 -4.5720 -4.5720 -4.5478 -4.5478 -4.4453 -4.4453 -4.4190 -4.4190 -4.0305 -4.0305 -3.9001 -3.9001 -3.4665 -3.4665 0.1658 0.1658 0.3701 0.3701 5.1864 5.1864 5.9979 5.9979 6.1389 6.1389 6.4662 6.4662 6.5144 6.5144 6.9120 6.9120 7.0726 7.0726 7.6419 7.6419 7.8092 7.8092 8.9673 8.9673 9.4063 9.4063 9.5290 9.5290 10.1069 10.1069 10.2913 10.2913 10.4367 10.4367 k = 0.4050 0.4373 0.2542 ( 8646 PWs) bands (ev): -19.8555 -19.8555 -19.8430 -19.8430 -19.3705 -19.3705 -19.0719 -19.0719 -9.1816 -9.1816 -6.5783 -6.5783 -6.4657 -6.4657 -6.2883 -6.2883 -5.8096 -5.8096 -4.7264 -4.7264 -4.5669 -4.5669 -4.5496 -4.5496 -4.4504 -4.4504 -4.4182 -4.4182 -4.0297 -4.0297 -3.8977 -3.8977 -3.4713 -3.4713 0.1858 0.1858 0.3767 0.3767 5.1693 5.1693 5.9103 5.9103 6.1608 6.1608 6.4348 6.4348 6.5077 6.5077 6.8986 6.8986 6.9893 6.9893 7.6275 7.6275 7.7966 7.7966 9.0135 9.0135 9.4495 9.4495 9.6095 9.6095 10.1291 10.1291 10.2671 10.2671 10.4466 10.4466 k = 0.3970 0.4570 0.2754 ( 8646 PWs) bands (ev): -19.8551 -19.8551 -19.8430 -19.8430 -19.3652 -19.3652 -19.0769 -19.0769 -9.2039 -9.2039 -6.5772 -6.5772 -6.4686 -6.4686 -6.2716 -6.2716 -5.8081 -5.8081 -4.7117 -4.7117 -4.5650 -4.5650 -4.5456 -4.5456 -4.4558 -4.4558 -4.4173 -4.4173 -4.0290 -4.0290 -3.8955 -3.8955 -3.4751 -3.4751 0.2065 0.2065 0.3837 0.3837 5.1520 5.1520 5.8202 5.8202 6.1801 6.1801 6.4079 6.4079 6.5006 6.5006 6.8834 6.8834 6.9112 6.9112 7.6014 7.6014 7.7890 7.7890 9.0579 9.0579 9.4940 9.4940 9.6946 9.6946 10.1593 10.1593 10.2457 10.2457 10.4617 10.4617 k = 0.3891 0.4766 0.2965 ( 8652 PWs) bands (ev): -19.8546 -19.8546 -19.8430 -19.8430 -19.3595 -19.3595 -19.0823 -19.0823 -9.2264 -9.2264 -6.5761 -6.5761 -6.4715 -6.4715 -6.2549 -6.2549 -5.8066 -5.8066 -4.6994 -4.6994 -4.5671 -4.5671 -4.5349 -4.5349 -4.4611 -4.4611 -4.4163 -4.4163 -4.0286 -4.0286 -3.8939 -3.8939 -3.4776 -3.4776 0.2279 0.2279 0.3908 0.3908 5.1348 5.1348 5.7287 5.7287 6.1947 6.1947 6.3858 6.3858 6.4927 6.4927 6.8308 6.8308 6.8766 6.8766 7.5686 7.5686 7.7813 7.7813 9.0999 9.0999 9.5406 9.5406 9.7840 9.7840 10.1942 10.1942 10.2305 10.2305 10.4821 10.4821 k = 0.3812 0.4963 0.3177 ( 8640 PWs) bands (ev): -19.8541 -19.8541 -19.8430 -19.8430 -19.3535 -19.3535 -19.0881 -19.0881 -9.2488 -9.2488 -6.5750 -6.5750 -6.4745 -6.4745 -6.2383 -6.2383 -5.8050 -5.8050 -4.6899 -4.6899 -4.5705 -4.5705 -4.5204 -4.5204 -4.4660 -4.4660 -4.4154 -4.4154 -4.0283 -4.0283 -3.8931 -3.8931 -3.4784 -3.4784 0.2497 0.2497 0.3980 0.3980 5.1177 5.1177 5.6366 5.6366 6.2031 6.2031 6.3673 6.3673 6.4833 6.4833 6.7660 6.7660 6.8642 6.8642 7.5326 7.5326 7.7704 7.7704 9.1392 9.1392 9.5902 9.5902 9.8774 9.8774 10.1995 10.1995 10.2552 10.2552 10.5079 10.5079 k = 0.3733 0.5159 0.3389 ( 8634 PWs) bands (ev): -19.8536 -19.8536 -19.8430 -19.8430 -19.3472 -19.3472 -19.0941 -19.0941 -9.2711 -9.2711 -6.5738 -6.5738 -6.4776 -6.4776 -6.2221 -6.2221 -5.8034 -5.8034 -4.6828 -4.6828 -4.5743 -4.5743 -4.5045 -4.5045 -4.4695 -4.4695 -4.4146 -4.4146 -4.0281 -4.0281 -3.8932 -3.8932 -3.4773 -3.4773 0.2716 0.2716 0.4052 0.4052 5.1012 5.1012 5.5447 5.5447 6.2049 6.2049 6.3492 6.3492 6.4723 6.4723 6.7135 6.7135 6.8538 6.8538 7.4953 7.4953 7.7551 7.7551 9.1755 9.1755 9.6433 9.6433 9.9745 9.9745 10.1849 10.1849 10.3090 10.3090 10.5389 10.5389 k = 0.3654 0.5355 0.3601 ( 8636 PWs) bands (ev): -19.8531 -19.8531 -19.8431 -19.8431 -19.3405 -19.3405 -19.1005 -19.1005 -9.2929 -9.2929 -6.5726 -6.5726 -6.4808 -6.4808 -6.2064 -6.2064 -5.8018 -5.8018 -4.6780 -4.6780 -4.5781 -4.5781 -4.4921 -4.4921 -4.4673 -4.4673 -4.4139 -4.4139 -4.0281 -4.0281 -3.8947 -3.8947 -3.4739 -3.4739 0.2934 0.2934 0.4125 0.4125 5.0852 5.0852 5.4540 5.4540 6.2014 6.2014 6.3253 6.3253 6.4607 6.4607 6.6777 6.6777 6.8454 6.8454 7.4577 7.4577 7.7352 7.7352 9.2088 9.2088 9.7003 9.7003 10.0748 10.0748 10.1695 10.1695 10.3712 10.3712 10.5749 10.5749 k = 0.3574 0.5552 0.3813 ( 8624 PWs) bands (ev): -19.8525 -19.8525 -19.8432 -19.8432 -19.3335 -19.3335 -19.1072 -19.1072 -9.3140 -9.3140 -6.5713 -6.5713 -6.4840 -6.4840 -6.1913 -6.1913 -5.8002 -5.8002 -4.6750 -4.6750 -4.5817 -4.5817 -4.4901 -4.4901 -4.4533 -4.4533 -4.4134 -4.4134 -4.0280 -4.0280 -3.8975 -3.8975 -3.4684 -3.4684 0.3149 0.3149 0.4197 0.4197 5.0700 5.0700 5.3653 5.3653 6.1945 6.1945 6.2908 6.2908 6.4511 6.4511 6.6585 6.6585 6.8393 6.8393 7.4205 7.4205 7.7111 7.7111 9.2395 9.2395 9.7613 9.7613 10.1533 10.1533 10.1787 10.1787 10.4388 10.4388 10.6158 10.6158 k = 0.3495 0.5748 0.4024 ( 8634 PWs) bands (ev): -19.8520 -19.8520 -19.8433 -19.8433 -19.3263 -19.3263 -19.1142 -19.1142 -9.3344 -9.3344 -6.5699 -6.5699 -6.4873 -6.4873 -6.1770 -6.1770 -5.7986 -5.7986 -4.6733 -4.6733 -4.5850 -4.5850 -4.4931 -4.4931 -4.4339 -4.4339 -4.4128 -4.4128 -4.0281 -4.0281 -3.9019 -3.9019 -3.4606 -3.4606 0.3358 0.3358 0.4267 0.4267 5.0556 5.0556 5.2793 5.2793 6.1855 6.1855 6.2470 6.2470 6.4446 6.4446 6.6519 6.6519 6.8361 6.8361 7.3841 7.3841 7.6835 7.6835 9.2683 9.2683 9.8257 9.8257 10.1383 10.1383 10.2834 10.2834 10.5097 10.5097 10.6611 10.6611 k = 0.3416 0.5945 0.4236 ( 8618 PWs) bands (ev): -19.8514 -19.8514 -19.8434 -19.8434 -19.3188 -19.3188 -19.1215 -19.1215 -9.3537 -9.3537 -6.5686 -6.5686 -6.4906 -6.4906 -6.1634 -6.1634 -5.7970 -5.7970 -4.6726 -4.6726 -4.5881 -4.5881 -4.4970 -4.4970 -4.4161 -4.4161 -4.4093 -4.4093 -4.0281 -4.0281 -3.9077 -3.9077 -3.4508 -3.4508 0.3559 0.3559 0.4336 0.4336 5.0421 5.0421 5.1969 5.1969 6.1694 6.1694 6.2044 6.2044 6.4402 6.4402 6.6527 6.6527 6.8364 6.8364 7.3487 7.3487 7.6531 7.6531 9.2956 9.2956 9.8928 9.8928 10.1225 10.1225 10.3895 10.3895 10.5816 10.5816 10.7104 10.7104 k = 0.3337 0.6141 0.4448 ( 8628 PWs) bands (ev): -19.8508 -19.8508 -19.8436 -19.8436 -19.3110 -19.3110 -19.1290 -19.1290 -9.3720 -9.3720 -6.5671 -6.5671 -6.4938 -6.4938 -6.1507 -6.1507 -5.7954 -5.7954 -4.6727 -4.6727 -4.5909 -4.5909 -4.5010 -4.5010 -4.4137 -4.4137 -4.3907 -4.3907 -4.0281 -4.0281 -3.9150 -3.9150 -3.4392 -3.4392 0.3750 0.3750 0.4402 0.4402 5.0295 5.0295 5.1189 5.1189 6.1289 6.1289 6.1854 6.1854 6.4370 6.4370 6.6567 6.6567 6.8406 6.8406 7.3146 7.3146 7.6207 7.6207 9.3224 9.3224 9.9613 9.9613 10.1062 10.1062 10.4947 10.4947 10.6522 10.6522 10.7624 10.7624 k = 0.3258 0.6338 0.4660 ( 8632 PWs) bands (ev): -19.8502 -19.8502 -19.8438 -19.8438 -19.3030 -19.3030 -19.1367 -19.1367 -9.3890 -9.3890 -6.5657 -6.5657 -6.4970 -6.4970 -6.1389 -6.1389 -5.7939 -5.7939 -4.6732 -4.6732 -4.5934 -4.5934 -4.5050 -4.5050 -4.4136 -4.4136 -4.3704 -4.3704 -4.0281 -4.0281 -3.9234 -3.9234 -3.4264 -3.4264 0.3929 0.3929 0.4466 0.4466 5.0155 5.0155 5.0483 5.0483 6.0777 6.0777 6.1795 6.1795 6.4344 6.4344 6.6613 6.6613 6.8484 6.8484 7.2820 7.2820 7.5872 7.5872 9.3493 9.3493 10.0265 10.0265 10.0925 10.0925 10.5951 10.5951 10.7190 10.7190 10.8151 10.8151 k = 0.3178 0.6534 0.4872 ( 8622 PWs) bands (ev): -19.8496 -19.8496 -19.8440 -19.8440 -19.2949 -19.2949 -19.1447 -19.1447 -9.4047 -9.4047 -6.5642 -6.5642 -6.5002 -6.5002 -6.1282 -6.1282 -5.7924 -5.7924 -4.6741 -4.6741 -4.5955 -4.5955 -4.5087 -4.5087 -4.4138 -4.4138 -4.3507 -4.3507 -4.0279 -4.0279 -3.9327 -3.9327 -3.4128 -3.4128 0.4093 0.4093 0.4527 0.4527 4.9720 4.9720 5.0138 5.0138 6.0270 6.0270 6.1777 6.1777 6.4321 6.4321 6.6652 6.6652 6.8592 6.8592 7.2508 7.2508 7.5532 7.5532 9.3766 9.3766 10.0516 10.0516 10.1172 10.1172 10.6838 10.6838 10.7789 10.7789 10.8714 10.8714 k = 0.3099 0.6731 0.5084 ( 8630 PWs) bands (ev): -19.8490 -19.8490 -19.8443 -19.8443 -19.2865 -19.2865 -19.1528 -19.1528 -9.4189 -9.4189 -6.5627 -6.5627 -6.5033 -6.5033 -6.1186 -6.1186 -5.7910 -5.7910 -4.6751 -4.6751 -4.5973 -4.5973 -4.5123 -4.5123 -4.4143 -4.4143 -4.3320 -4.3320 -4.0278 -4.0278 -3.9427 -3.9427 -3.3989 -3.3989 0.4239 0.4239 0.4584 0.4584 4.9116 4.9116 5.0036 5.0036 5.9793 5.9793 6.1789 6.1789 6.4302 6.4302 6.6682 6.6682 6.8718 6.8718 7.2214 7.2214 7.5196 7.5196 9.4047 9.4047 10.0337 10.0337 10.1814 10.1814 10.7535 10.7535 10.8276 10.8276 10.9366 10.9366 k = 0.3020 0.6927 0.5295 ( 8622 PWs) bands (ev): -19.8484 -19.8484 -19.8446 -19.8446 -19.2780 -19.2780 -19.1611 -19.1611 -9.4315 -9.4315 -6.5611 -6.5611 -6.5063 -6.5063 -6.1100 -6.1100 -5.7897 -5.7897 -4.6761 -4.6761 -4.5987 -4.5987 -4.5155 -4.5155 -4.4149 -4.4149 -4.3144 -4.3144 -4.0275 -4.0275 -3.9529 -3.9529 -3.3853 -3.3853 0.4368 0.4368 0.4637 0.4637 4.8563 4.8563 4.9962 4.9962 5.9355 5.9355 6.1828 6.1828 6.4286 6.4286 6.6708 6.6708 6.8848 6.8848 7.1936 7.1936 7.4868 7.4868 9.4338 9.4338 10.0089 10.0089 10.2480 10.2480 10.8032 10.8032 10.8628 10.8628 11.0047 11.0047 k = 0.2941 0.7124 0.5507 ( 8622 PWs) bands (ev): -19.8478 -19.8478 -19.8449 -19.8449 -19.2694 -19.2694 -19.1696 -19.1696 -9.4425 -9.4425 -6.5595 -6.5595 -6.5092 -6.5092 -6.1027 -6.1027 -5.7884 -5.7884 -4.6770 -4.6770 -4.5998 -4.5998 -4.5185 -4.5185 -4.4157 -4.4157 -4.2982 -4.2982 -4.0271 -4.0271 -3.9632 -3.9632 -3.3726 -3.3726 0.4476 0.4476 0.4685 0.4685 4.8076 4.8076 4.9904 4.9904 5.8965 5.8965 6.1892 6.1892 6.4274 6.4274 6.6733 6.6733 6.8973 6.8973 7.1676 7.1676 7.4556 7.4556 9.4637 9.4637 9.9808 9.9808 10.3124 10.3124 10.8339 10.8339 10.8886 10.8886 11.0719 11.0719 k = 0.2862 0.7320 0.5719 ( 8626 PWs) bands (ev): -19.8472 -19.8472 -19.8453 -19.8453 -19.2607 -19.2607 -19.1782 -19.1782 -9.4518 -9.4518 -6.5579 -6.5579 -6.5119 -6.5119 -6.0965 -6.0965 -5.7873 -5.7873 -4.6778 -4.6778 -4.6006 -4.6006 -4.5212 -4.5212 -4.4166 -4.4166 -4.2837 -4.2837 -4.0266 -4.0266 -3.9730 -3.9730 -3.3611 -3.3611 0.4564 0.4564 0.4728 0.4728 4.7663 4.7663 4.9861 4.9861 5.8627 5.8627 6.1982 6.1982 6.4265 6.4265 6.6762 6.6762 6.9080 6.9080 7.1435 7.1435 7.4265 7.4265 9.4941 9.4941 9.9501 9.9501 10.3730 10.3730 10.8423 10.8423 10.9134 10.9134 11.1383 11.1383 k = 0.2782 0.7516 0.5931 ( 8614 PWs) bands (ev): -19.8466 -19.8466 -19.8457 -19.8457 -19.2519 -19.2519 -19.1868 -19.1868 -9.4593 -9.4593 -6.5563 -6.5563 -6.5145 -6.5145 -6.0915 -6.0915 -5.7864 -5.7864 -4.6784 -4.6784 -4.6011 -4.6011 -4.5235 -4.5235 -4.4177 -4.4177 -4.2712 -4.2712 -4.0260 -4.0260 -3.9819 -3.9819 -3.3513 -3.3513 0.4631 0.4631 0.4764 0.4764 4.7327 4.7327 4.9831 4.9831 5.8344 5.8344 6.2094 6.2094 6.4261 6.4261 6.6799 6.6799 6.9164 6.9164 7.1213 7.1213 7.4000 7.4000 9.5244 9.5244 9.9173 9.9173 10.4292 10.4292 10.8302 10.8302 10.9390 10.9390 11.2027 11.2027 k = 0.2703 0.7713 0.6143 ( 8621 PWs) bands (ev): -19.8462 -19.8462 -19.8460 -19.8460 -19.2432 -19.2432 -19.1955 -19.1955 -9.4650 -9.4650 -6.5548 -6.5548 -6.5169 -6.5169 -6.0878 -6.0878 -5.7855 -5.7855 -4.6786 -4.6786 -4.6013 -4.6013 -4.5256 -4.5256 -4.4189 -4.4189 -4.2610 -4.2610 -4.0251 -4.0251 -3.9896 -3.9896 -3.3436 -3.3436 0.4678 0.4678 0.4792 0.4792 4.7071 4.7071 4.9816 4.9816 5.8119 5.8119 6.2228 6.2228 6.4262 6.4262 6.6846 6.6846 6.9218 6.9218 7.1012 7.1012 7.3764 7.3764 9.5540 9.5540 9.8828 9.8828 10.4806 10.4806 10.8030 10.8030 10.9621 10.9622 11.2614 11.2614 k = 0.2703 0.7713 0.6143 ( 8621 PWs) bands (ev): -19.8462 -19.8462 -19.8460 -19.8460 -19.2432 -19.2432 -19.1955 -19.1955 -9.4650 -9.4650 -6.5548 -6.5548 -6.5169 -6.5169 -6.0878 -6.0878 -5.7855 -5.7855 -4.6786 -4.6786 -4.6013 -4.6013 -4.5256 -4.5256 -4.4189 -4.4189 -4.2610 -4.2610 -4.0251 -4.0251 -3.9896 -3.9896 -3.3436 -3.3436 0.4678 0.4678 0.4792 0.4792 4.7071 4.7071 4.9816 4.9816 5.8119 5.8119 6.2228 6.2228 6.4262 6.4262 6.6846 6.6846 6.9218 6.9218 7.1012 7.1012 7.3764 7.3764 9.5540 9.5540 9.8828 9.8828 10.4806 10.4806 10.8030 10.8030 10.9621 10.9621 11.2614 11.2614 k = 0.2433 0.7662 0.6197 ( 8618 PWs) bands (ev): -19.8464 -19.8464 -19.8458 -19.8458 -19.2409 -19.2409 -19.1977 -19.1977 -9.4662 -9.4662 -6.5543 -6.5543 -6.5175 -6.5175 -6.0870 -6.0870 -5.7854 -5.7854 -4.6784 -4.6784 -4.6019 -4.6019 -4.5253 -4.5253 -4.4195 -4.4195 -4.2587 -4.2587 -4.0247 -4.0247 -3.9914 -3.9914 -3.3420 -3.3420 0.4683 0.4683 0.4800 0.4800 4.7019 4.7019 4.9814 4.9814 5.8072 5.8072 6.2267 6.2267 6.4264 6.4264 6.6865 6.6865 6.9235 6.9235 7.0958 7.0958 7.3695 7.3695 9.5628 9.5628 9.8737 9.8737 10.4909 10.4909 10.7933 10.7933 10.9594 10.9594 11.2706 11.2706 k = 0.2163 0.7612 0.6251 ( 8620 PWs) bands (ev): -19.8466 -19.8466 -19.8456 -19.8456 -19.2387 -19.2387 -19.1999 -19.1999 -9.4672 -9.4672 -6.5538 -6.5538 -6.5182 -6.5182 -6.0863 -6.0863 -5.7852 -5.7852 -4.6778 -4.6778 -4.6039 -4.6039 -4.5236 -4.5236 -4.4207 -4.4207 -4.2567 -4.2567 -4.0241 -4.0241 -3.9932 -3.9932 -3.3406 -3.3406 0.4683 0.4683 0.4811 0.4811 4.6972 4.6972 4.9813 4.9813 5.8031 5.8031 6.2308 6.2308 6.4266 6.4266 6.6895 6.6895 6.9268 6.9268 7.0891 7.0891 7.3604 7.3604 9.5741 9.5741 9.8651 9.8651 10.4956 10.4956 10.7828 10.7828 10.9428 10.9428 11.2734 11.2734 k = 0.1892 0.7562 0.6306 ( 8619 PWs) bands (ev): -19.8468 -19.8468 -19.8453 -19.8453 -19.2366 -19.2366 -19.2020 -19.2020 -9.4682 -9.4682 -6.5533 -6.5533 -6.5189 -6.5189 -6.0857 -6.0857 -5.7850 -5.7850 -4.6767 -4.6767 -4.6069 -4.6069 -4.5208 -4.5208 -4.4224 -4.4224 -4.2548 -4.2548 -4.0233 -4.0233 -3.9950 -3.9950 -3.3393 -3.3393 0.4679 0.4679 0.4823 0.4823 4.6931 4.6931 4.9811 4.9811 5.7996 5.7996 6.2348 6.2348 6.4270 6.4270 6.6934 6.6934 6.9316 6.9316 7.0813 7.0813 7.3496 7.3496 9.5874 9.5874 9.8573 9.8573 10.4937 10.4937 10.7741 10.7741 10.9182 10.9182 11.2743 11.2743 k = 0.1622 0.7511 0.6360 ( 8615 PWs) bands (ev): -19.8470 -19.8470 -19.8452 -19.8452 -19.2344 -19.2344 -19.2042 -19.2042 -9.4690 -9.4690 -6.5527 -6.5527 -6.5196 -6.5196 -6.0852 -6.0852 -5.7848 -5.7848 -4.6752 -4.6752 -4.6107 -4.6107 -4.5171 -4.5171 -4.4246 -4.4246 -4.2531 -4.2531 -4.0223 -4.0223 -3.9968 -3.9968 -3.3382 -3.3382 0.4675 0.4675 0.4834 0.4834 4.6895 4.6895 4.9810 4.9810 5.7967 5.7967 6.2387 6.2387 6.4273 6.4273 6.6979 6.6979 6.9380 6.9380 7.0725 7.0725 7.3377 7.3377 9.6021 9.6021 9.8507 9.8507 10.4851 10.4851 10.7688 10.7688 10.8907 10.8907 11.2753 11.2753 k = 0.1352 0.7461 0.6414 ( 8616 PWs) bands (ev): -19.8471 -19.8471 -19.8450 -19.8450 -19.2323 -19.2323 -19.2063 -19.2063 -9.4697 -9.4697 -6.5521 -6.5521 -6.5204 -6.5204 -6.0848 -6.0848 -5.7847 -5.7847 -4.6735 -4.6735 -4.6148 -4.6148 -4.5130 -4.5130 -4.4271 -4.4271 -4.2517 -4.2517 -4.0212 -4.0212 -3.9986 -3.9986 -3.3373 -3.3373 0.4670 0.4670 0.4843 0.4843 4.6865 4.6865 4.9809 4.9809 5.7945 5.7945 6.2421 6.2421 6.4277 6.4277 6.7028 6.7028 6.9460 6.9460 7.0628 7.0628 7.3256 7.3256 9.6173 9.6173 9.8453 9.8453 10.4714 10.4714 10.7669 10.7669 10.8641 10.8641 11.2770 11.2770 k = 0.1081 0.7410 0.6469 ( 8622 PWs) bands (ev): -19.8473 -19.8473 -19.8448 -19.8448 -19.2303 -19.2303 -19.2083 -19.2083 -9.4702 -9.4702 -6.5516 -6.5516 -6.5210 -6.5210 -6.0844 -6.0844 -5.7845 -5.7845 -4.6715 -4.6715 -4.6189 -4.6189 -4.5088 -4.5088 -4.4297 -4.4297 -4.2505 -4.2505 -4.0200 -4.0200 -4.0003 -4.0003 -3.3365 -3.3365 0.4666 0.4666 0.4851 0.4851 4.6840 4.6840 4.9807 4.9807 5.7927 5.7927 6.2449 6.2449 6.4281 6.4281 6.7077 6.7077 6.9553 6.9553 7.0521 7.0521 7.3140 7.3140 9.6321 9.6321 9.8411 9.8411 10.4549 10.4549 10.7672 10.7672 10.8411 10.8411 11.2790 11.2790 k = 0.0811 0.7360 0.6523 ( 8620 PWs) bands (ev): -19.8473 -19.8473 -19.8447 -19.8447 -19.2284 -19.2284 -19.2101 -19.2101 -9.4707 -9.4707 -6.5512 -6.5512 -6.5216 -6.5216 -6.0842 -6.0842 -5.7844 -5.7844 -4.6695 -4.6695 -4.6228 -4.6228 -4.5050 -4.5050 -4.4322 -4.4322 -4.2495 -4.2495 -4.0188 -4.0188 -4.0019 -4.0019 -3.3359 -3.3359 0.4662 0.4662 0.4857 0.4857 4.6821 4.6821 4.9806 4.9806 5.7914 5.7914 6.2472 6.2472 6.4285 6.4285 6.7120 6.7120 6.9659 6.9659 7.0406 7.0406 7.3039 7.3039 9.6452 9.6452 9.8381 9.8381 10.4385 10.4385 10.7675 10.7675 10.8237 10.8237 11.2809 11.2809 k = 0.0541 0.7310 0.6577 ( 8613 PWs) bands (ev): -19.8474 -19.8474 -19.8447 -19.8447 -19.2268 -19.2268 -19.2117 -19.2117 -9.4710 -9.4710 -6.5508 -6.5508 -6.5220 -6.5220 -6.0840 -6.0840 -5.7843 -5.7843 -4.6676 -4.6676 -4.6260 -4.6260 -4.5018 -4.5018 -4.4343 -4.4343 -4.2488 -4.2488 -4.0178 -4.0178 -4.0032 -4.0032 -3.3355 -3.3355 0.4660 0.4660 0.4861 0.4861 4.6807 4.6807 4.9805 4.9805 5.7906 5.7906 6.2489 6.2489 6.4287 6.4287 6.7155 6.7155 6.9775 6.9775 7.0284 7.0284 7.2960 7.2960 9.6556 9.6556 9.8360 9.8360 10.4247 10.4247 10.7664 10.7664 10.8130 10.8130 11.2824 11.2824 k = 0.0270 0.7259 0.6632 ( 8614 PWs) bands (ev): -19.8475 -19.8475 -19.8446 -19.8446 -19.2257 -19.2257 -19.2129 -19.2129 -9.4712 -9.4712 -6.5506 -6.5506 -6.5223 -6.5223 -6.0838 -6.0838 -5.7843 -5.7843 -4.6664 -4.6664 -4.6281 -4.6281 -4.4998 -4.4998 -4.4357 -4.4357 -4.2484 -4.2484 -4.0170 -4.0170 -4.0041 -4.0041 -3.3353 -3.3353 0.4658 0.4658 0.4863 0.4863 4.6799 4.6799 4.9805 4.9805 5.7901 5.7901 6.2498 6.2498 6.4289 6.4289 6.7177 6.7177 6.9899 6.9899 7.0157 7.0157 7.2910 7.2910 9.6624 9.6624 9.8349 9.8349 10.4155 10.4155 10.7642 10.7642 10.8083 10.8083 11.2833 11.2833 k = 0.0000 0.7209 0.6686 ( 8622 PWs) bands (ev): -19.8475 -19.8475 -19.8446 -19.8446 -19.2253 -19.2253 -19.2133 -19.2133 -9.4712 -9.4712 -6.5505 -6.5505 -6.5224 -6.5224 -6.0838 -6.0838 -5.7843 -5.7843 -4.6659 -4.6659 -4.6289 -4.6289 -4.4990 -4.4990 -4.4362 -4.4362 -4.2483 -4.2483 -4.0168 -4.0168 -4.0045 -4.0045 -3.3352 -3.3352 0.4658 0.4658 0.4864 0.4864 4.6796 4.6796 4.9805 4.9805 5.7899 5.7899 6.2502 6.2502 6.4289 6.4289 6.7185 6.7185 7.0023 7.0023 7.0032 7.0032 7.2893 7.2893 9.6647 9.6647 9.8345 9.8345 10.4123 10.4123 10.7632 10.7632 10.8071 10.8071 11.2836 11.2836 k = 0.0000 0.7209 0.6686 ( 8622 PWs) bands (ev): -19.8475 -19.8475 -19.8446 -19.8446 -19.2253 -19.2253 -19.2133 -19.2133 -9.4712 -9.4712 -6.5505 -6.5505 -6.5224 -6.5224 -6.0838 -6.0838 -5.7843 -5.7843 -4.6659 -4.6659 -4.6289 -4.6289 -4.4990 -4.4990 -4.4362 -4.4362 -4.2483 -4.2483 -4.0168 -4.0168 -4.0045 -4.0045 -3.3352 -3.3352 0.4658 0.4658 0.4864 0.4864 4.6796 4.6796 4.9805 4.9805 5.7899 5.7899 6.2502 6.2502 6.4289 6.4289 6.7185 6.7185 7.0023 7.0023 7.0032 7.0032 7.2893 7.2893 9.6647 9.6647 9.8345 9.8345 10.4123 10.4123 10.7632 10.7632 10.8071 10.8071 11.2836 11.2836 k = 0.0081 0.7009 0.6902 ( 8612 PWs) bands (ev): -19.8475 -19.8475 -19.8446 -19.8446 -19.2252 -19.2252 -19.2133 -19.2133 -9.4725 -9.4725 -6.5505 -6.5505 -6.5224 -6.5224 -6.0841 -6.0841 -5.7833 -5.7833 -4.6656 -4.6656 -4.6290 -4.6290 -4.4992 -4.4992 -4.4364 -4.4364 -4.2490 -4.2490 -4.0170 -4.0170 -4.0011 -4.0011 -3.3350 -3.3350 0.4657 0.4657 0.4855 0.4855 4.6791 4.6791 4.9796 4.9796 5.7915 5.7915 6.2516 6.2516 6.4240 6.4240 6.7190 6.7190 6.9812 6.9812 7.0235 7.0235 7.2898 7.2898 9.6622 9.6622 9.8392 9.8392 10.3918 10.3918 10.7729 10.7729 10.8210 10.8210 11.2822 11.2822 k = 0.0161 0.6809 0.7117 ( 8606 PWs) bands (ev): -19.8474 -19.8474 -19.8446 -19.8446 -19.2251 -19.2251 -19.2132 -19.2132 -9.4765 -9.4765 -6.5503 -6.5503 -6.5224 -6.5224 -6.0852 -6.0852 -5.7804 -5.7804 -4.6649 -4.6649 -4.6294 -4.6294 -4.4998 -4.4998 -4.4370 -4.4370 -4.2511 -4.2511 -4.0164 -4.0164 -3.9925 -3.9925 -3.3344 -3.3344 0.4655 0.4655 0.4827 0.4827 4.6774 4.6774 4.9772 4.9772 5.7961 5.7961 6.2556 6.2556 6.4095 6.4095 6.7206 6.7206 6.9593 6.9593 7.0430 7.0430 7.2915 7.2915 9.6554 9.6554 9.8525 9.8525 10.3408 10.3408 10.7853 10.7853 10.8688 10.8688 11.2777 11.2777 k = 0.0242 0.6609 0.7333 ( 8612 PWs) bands (ev): -19.8474 -19.8474 -19.8445 -19.8445 -19.2249 -19.2249 -19.2132 -19.2132 -9.4830 -9.4830 -6.5501 -6.5501 -6.5225 -6.5225 -6.0869 -6.0869 -5.7756 -5.7756 -4.6638 -4.6638 -4.6299 -4.6299 -4.5008 -4.5008 -4.4378 -4.4378 -4.2542 -4.2542 -4.0137 -4.0137 -3.9802 -3.9802 -3.3334 -3.3334 0.4650 0.4650 0.4782 0.4782 4.6747 4.6747 4.9731 4.9731 5.8038 5.8038 6.2614 6.2614 6.3862 6.3862 6.7233 6.7233 6.9374 6.9374 7.0611 7.0611 7.2943 7.2943 9.6459 9.6459 9.8727 9.8727 10.2752 10.2752 10.7953 10.7953 10.9387 10.9387 11.2704 11.2704 k = 0.0323 0.6409 0.7549 ( 8616 PWs) bands (ev): -19.8473 -19.8473 -19.8445 -19.8445 -19.2246 -19.2246 -19.2131 -19.2131 -9.4919 -9.4919 -6.5498 -6.5498 -6.5226 -6.5226 -6.0894 -6.0894 -5.7689 -5.7689 -4.6626 -4.6626 -4.6304 -4.6304 -4.5023 -4.5023 -4.4389 -4.4389 -4.2579 -4.2579 -4.0087 -4.0087 -3.9649 -3.9649 -3.3321 -3.3321 0.4636 0.4636 0.4726 0.4726 4.6709 4.6709 4.9674 4.9674 5.8143 5.8143 6.2664 6.2664 6.3570 6.3570 6.7270 6.7270 6.9160 6.9160 7.0775 7.0775 7.2984 7.2984 9.6350 9.6350 9.8982 9.8982 10.2042 10.2042 10.8060 10.8060 11.0165 11.0165 11.2609 11.2609 k = 0.0403 0.6209 0.7764 ( 8622 PWs) bands (ev): -19.8472 -19.8472 -19.8444 -19.8444 -19.2242 -19.2242 -19.2130 -19.2130 -9.5032 -9.5032 -6.5494 -6.5494 -6.5228 -6.5228 -6.0927 -6.0927 -5.7605 -5.7605 -4.6616 -4.6616 -4.6305 -4.6305 -4.5042 -4.5042 -4.4402 -4.4402 -4.2619 -4.2619 -4.0015 -4.0015 -3.9471 -3.9471 -3.3303 -3.3303 0.4590 0.4590 0.4685 0.4685 4.6660 4.6660 4.9602 4.9602 5.8273 5.8273 6.2597 6.2597 6.3331 6.3331 6.7315 6.7315 6.8959 6.8959 7.0921 7.0921 7.3038 7.3038 9.6236 9.6236 9.9274 9.9274 10.1325 10.1325 10.8176 10.8176 11.0909 11.0909 11.2541 11.2541 k = 0.0484 0.6009 0.7980 ( 8636 PWs) bands (ev): -19.8470 -19.8470 -19.8444 -19.8444 -19.2237 -19.2237 -19.2128 -19.2128 -9.5166 -9.5166 -6.5490 -6.5490 -6.5230 -6.5230 -6.0968 -6.0968 -5.7503 -5.7503 -4.6614 -4.6614 -4.6299 -4.6299 -4.5065 -4.5065 -4.4415 -4.4415 -4.2658 -4.2658 -3.9921 -3.9921 -3.9270 -3.9270 -3.3282 -3.3282 0.4501 0.4501 0.4669 0.4669 4.6601 4.6601 4.9517 4.9517 5.8425 5.8425 6.2248 6.2248 6.3319 6.3319 6.7362 6.7362 6.8777 6.8777 7.1047 7.1047 7.3106 7.3106 9.6122 9.6122 9.9571 9.9571 10.0645 10.0645 10.8296 10.8296 11.1394 11.1394 11.2692 11.2692 k = 0.0565 0.5809 0.8196 ( 8636 PWs) bands (ev): -19.8469 -19.8469 -19.8443 -19.8443 -19.2232 -19.2232 -19.2127 -19.2127 -9.5320 -9.5320 -6.5486 -6.5486 -6.5232 -6.5232 -6.1019 -6.1019 -5.7386 -5.7386 -4.6621 -4.6621 -4.6284 -4.6284 -4.5093 -4.5093 -4.4429 -4.4429 -4.2693 -4.2693 -3.9805 -3.9805 -3.9052 -3.9052 -3.3256 -3.3256 0.4387 0.4387 0.4661 0.4661 4.6533 4.6533 4.9418 4.9418 5.8589 5.8589 6.1703 6.1703 6.3460 6.3460 6.7404 6.7404 6.8625 6.8625 7.1156 7.1156 7.3187 7.3187 9.6009 9.6009 9.9627 9.9627 10.0253 10.0253 10.8407 10.8407 11.1406 11.1406 11.3245 11.3245 k = 0.0645 0.5609 0.8411 ( 8636 PWs) bands (ev): -19.8467 -19.8467 -19.8442 -19.8442 -19.2226 -19.2226 -19.2125 -19.2125 -9.5491 -9.5491 -6.5481 -6.5481 -6.5235 -6.5235 -6.1077 -6.1077 -5.7255 -5.7255 -4.6639 -4.6639 -4.6260 -4.6260 -4.5123 -4.5123 -4.4443 -4.4443 -4.2724 -4.2724 -3.9667 -3.9667 -3.8819 -3.8819 -3.3226 -3.3226 0.4257 0.4257 0.4656 0.4656 4.6455 4.6455 4.9308 4.9308 5.8742 5.8742 6.1081 6.1081 6.3662 6.3662 6.7429 6.7429 6.8514 6.8514 7.1248 7.1248 7.3280 7.3280 9.5899 9.5899 9.9094 9.9094 10.0499 10.0499 10.8490 10.8490 11.1168 11.1168 11.3780 11.3780 k = 0.0726 0.5409 0.8627 ( 8638 PWs) bands (ev): -19.8465 -19.8465 -19.8441 -19.8441 -19.2220 -19.2220 -19.2123 -19.2123 -9.5677 -9.5677 -6.5476 -6.5476 -6.5238 -6.5238 -6.1144 -6.1144 -5.7113 -5.7113 -4.6667 -4.6667 -4.6229 -4.6229 -4.5155 -4.5155 -4.4456 -4.4456 -4.2749 -4.2749 -3.9508 -3.9508 -3.8573 -3.8573 -3.3192 -3.3192 0.4113 0.4113 0.4651 0.4651 4.6369 4.6369 4.9188 4.9188 5.8814 5.8814 6.0482 6.0482 6.3898 6.3898 6.7430 6.7430 6.8455 6.8455 7.1328 7.1328 7.3385 7.3385 9.5790 9.5790 9.8467 9.8467 10.0890 10.0890 10.8525 10.8525 11.0838 11.0838 11.3577 11.3577 k = 0.0806 0.5209 0.8843 ( 8646 PWs) bands (ev): -19.8463 -19.8463 -19.8440 -19.8440 -19.2213 -19.2213 -19.2121 -19.2121 -9.5875 -9.5875 -6.5471 -6.5471 -6.5241 -6.5241 -6.1219 -6.1219 -5.6961 -5.6961 -4.6702 -4.6702 -4.6194 -4.6194 -4.5188 -4.5188 -4.4470 -4.4470 -4.2770 -4.2770 -3.9330 -3.9330 -3.8317 -3.8317 -3.3154 -3.3154 0.3958 0.3958 0.4646 0.4646 4.6274 4.6274 4.9058 4.9058 5.8609 5.8609 6.0119 6.0119 6.4154 6.4154 6.7404 6.7404 6.8449 6.8449 7.1400 7.1400 7.3497 7.3497 9.5680 9.5680 9.7854 9.7854 10.1314 10.1314 10.8492 10.8492 11.0466 11.0466 11.3377 11.3377 k = 0.0887 0.5009 0.9058 ( 8640 PWs) bands (ev): -19.8461 -19.8461 -19.8438 -19.8438 -19.2205 -19.2205 -19.2119 -19.2119 -9.6083 -9.6083 -6.5467 -6.5467 -6.5245 -6.5245 -6.1300 -6.1300 -5.6803 -5.6803 -4.6744 -4.6744 -4.6157 -4.6157 -4.5220 -4.5220 -4.4484 -4.4484 -4.2785 -4.2785 -3.9135 -3.9135 -3.8050 -3.8050 -3.3112 -3.3112 0.3792 0.3792 0.4640 0.4640 4.6173 4.6173 4.8922 4.8922 5.8004 5.8004 6.0123 6.0123 6.4421 6.4421 6.7364 6.7364 6.8488 6.8488 7.1467 7.1467 7.3617 7.3617 9.5568 9.5568 9.7271 9.7271 10.1754 10.1754 10.8382 10.8382 11.0071 11.0071 11.3284 11.3284 k = 0.0968 0.4809 0.9274 ( 8636 PWs) bands (ev): -19.8458 -19.8458 -19.8437 -19.8437 -19.2198 -19.2198 -19.2117 -19.2117 -9.6299 -9.6299 -6.5462 -6.5462 -6.5249 -6.5249 -6.1387 -6.1387 -5.6641 -5.6641 -4.6789 -4.6789 -4.6121 -4.6121 -4.5250 -4.5250 -4.4499 -4.4499 -4.2797 -4.2797 -3.8925 -3.8925 -3.7773 -3.7773 -3.3065 -3.3065 0.3620 0.3620 0.4635 0.4635 4.6065 4.6065 4.8779 4.8779 5.7185 5.7185 6.0319 6.0319 6.4690 6.4690 6.7328 6.7328 6.8558 6.8558 7.1534 7.1534 7.3740 7.3740 9.5452 9.5452 9.6723 9.6723 10.2201 10.2201 10.8200 10.8200 10.9665 10.9665 11.3307 11.3307 k = 0.1048 0.4608 0.9490 ( 8624 PWs) bands (ev): -19.8456 -19.8456 -19.8436 -19.8436 -19.2189 -19.2189 -19.2114 -19.2114 -9.6519 -9.6519 -6.5458 -6.5458 -6.5254 -6.5254 -6.1479 -6.1479 -5.6477 -5.6477 -4.6836 -4.6836 -4.6087 -4.6087 -4.5278 -4.5278 -4.4515 -4.4515 -4.2805 -4.2805 -3.8704 -3.8704 -3.7487 -3.7487 -3.3014 -3.3014 0.3441 0.3441 0.4629 0.4629 4.5952 4.5952 4.8633 4.8633 5.6277 5.6277 6.0589 6.0589 6.4947 6.4947 6.7313 6.7313 6.8646 6.8646 7.1606 7.1606 7.3867 7.3867 9.5330 9.5330 9.6212 9.6212 10.2647 10.2647 10.7963 10.7963 10.9254 10.9254 11.3434 11.3434 k = 0.1129 0.4408 0.9705 ( 8618 PWs) bands (ev): -19.8453 -19.8453 -19.8435 -19.8435 -19.2181 -19.2181 -19.2112 -19.2112 -9.6743 -9.6743 -6.5454 -6.5454 -6.5259 -6.5259 -6.1574 -6.1574 -5.6313 -5.6313 -4.6886 -4.6886 -4.6056 -4.6056 -4.5302 -4.5302 -4.4531 -4.4531 -4.2810 -4.2810 -3.8477 -3.8477 -3.7191 -3.7191 -3.2957 -3.2957 0.3259 0.3259 0.4623 0.4623 4.5835 4.5835 4.8484 4.8484 5.5328 5.5328 6.0890 6.0890 6.5179 6.5179 6.7335 6.7335 6.8746 6.8746 7.1684 7.1684 7.3994 7.3994 9.5198 9.5198 9.5741 9.5741 10.3082 10.3082 10.7699 10.7699 10.8848 10.8848 11.3647 11.3647 k = 0.1210 0.4208 0.9921 ( 8618 PWs) bands (ev): -19.8451 -19.8451 -19.8433 -19.8433 -19.2172 -19.2172 -19.2109 -19.2109 -9.6966 -9.6966 -6.5450 -6.5450 -6.5265 -6.5265 -6.1671 -6.1671 -5.6152 -5.6152 -4.6935 -4.6935 -4.6028 -4.6028 -4.5323 -4.5323 -4.4548 -4.4548 -4.2814 -4.2814 -3.8248 -3.8248 -3.6886 -3.6886 -3.2896 -3.2896 0.3074 0.3074 0.4617 0.4617 4.5715 4.5715 4.8334 4.8334 5.4360 5.4360 6.1209 6.1209 6.5374 6.5374 6.7401 6.7401 6.8857 6.8857 7.1773 7.1773 7.4122 7.4122 9.5048 9.5048 9.5318 9.5318 10.3497 10.3497 10.7431 10.7431 10.8453 10.8453 11.3924 11.3924 k = 0.1290 0.4008 1.0137 ( 8616 PWs) bands (ev): -19.8448 -19.8448 -19.8432 -19.8432 -19.2164 -19.2164 -19.2107 -19.2107 -9.7187 -9.7187 -6.5446 -6.5446 -6.5271 -6.5271 -6.1769 -6.1769 -5.5995 -5.5995 -4.6984 -4.6984 -4.6004 -4.6004 -4.5341 -4.5341 -4.4565 -4.4565 -4.2816 -4.2816 -3.8023 -3.8023 -3.6572 -3.6572 -3.2830 -3.2830 0.2890 0.2890 0.4610 0.4610 4.5593 4.5593 4.8185 4.8185 5.3388 5.3388 6.1535 6.1535 6.5524 6.5524 6.7512 6.7512 6.8980 6.8980 7.1873 7.1873 7.4247 7.4247 9.4837 9.4837 9.4988 9.4988 10.3880 10.3880 10.7180 10.7180 10.8075 10.8075 11.4250 11.4250 k = 0.1371 0.3808 1.0353 ( 8622 PWs) bands (ev): -19.8446 -19.8446 -19.8430 -19.8430 -19.2155 -19.2155 -19.2104 -19.2104 -9.7403 -9.7403 -6.5442 -6.5442 -6.5277 -6.5277 -6.1867 -6.1867 -5.5844 -5.5844 -4.7032 -4.7032 -4.5982 -4.5982 -4.5357 -4.5357 -4.4581 -4.4581 -4.2817 -4.2817 -3.7806 -3.7806 -3.6251 -3.6251 -3.2759 -3.2759 0.2707 0.2707 0.4604 0.4604 4.5471 4.5471 4.8037 4.8037 5.2424 5.2424 6.1861 6.1861 6.5633 6.5633 6.7655 6.7655 6.9122 6.9122 7.1986 7.1986 7.4371 7.4371 9.4523 9.4523 9.4791 9.4791 10.4218 10.4218 10.6967 10.6967 10.7719 10.7719 11.4613 11.4613 k = 0.1452 0.3608 1.0568 ( 8616 PWs) bands (ev): -19.8443 -19.8443 -19.8429 -19.8429 -19.2147 -19.2147 -19.2102 -19.2102 -9.7614 -9.7614 -6.5439 -6.5439 -6.5284 -6.5284 -6.1963 -6.1963 -5.5700 -5.5700 -4.7078 -4.7078 -4.5963 -4.5963 -4.5372 -4.5372 -4.4598 -4.4598 -4.2817 -4.2817 -3.7600 -3.7600 -3.5926 -3.5926 -3.2682 -3.2682 0.2529 0.2529 0.4597 0.4597 4.5350 4.5350 4.7893 4.7893 5.1478 5.1478 6.2181 6.2181 6.5710 6.5710 6.7807 6.7807 6.9289 6.9289 7.2111 7.2111 7.4490 7.4490 9.4216 9.4216 9.4616 9.4616 10.4495 10.4495 10.6805 10.6805 10.7390 10.7390 11.5003 11.5003 k = 0.1532 0.3408 1.0784 ( 8612 PWs) bands (ev): -19.8441 -19.8441 -19.8428 -19.8428 -19.2139 -19.2139 -19.2099 -19.2099 -9.7816 -9.7816 -6.5435 -6.5435 -6.5291 -6.5291 -6.2057 -6.2057 -5.5564 -5.5564 -4.7122 -4.7122 -4.5946 -4.5946 -4.5387 -4.5387 -4.4614 -4.4614 -4.2817 -4.2817 -3.7407 -3.7407 -3.5602 -3.5602 -3.2599 -3.2599 0.2355 0.2355 0.4590 0.4590 4.5231 4.5231 4.7754 4.7754 5.0560 5.0560 6.2490 6.2490 6.5768 6.5768 6.7946 6.7946 6.9487 6.9487 7.2248 7.2248 7.4605 7.4605 9.3943 9.3943 9.4437 9.4437 10.4702 10.4702 10.6704 10.6704 10.7092 10.7092 11.5412 11.5412 k = 0.1613 0.3208 1.1000 ( 8600 PWs) bands (ev): -19.8438 -19.8438 -19.8427 -19.8427 -19.2131 -19.2131 -19.2097 -19.2097 -9.8008 -9.8008 -6.5432 -6.5432 -6.5298 -6.5298 -6.2148 -6.2148 -5.5437 -5.5437 -4.7164 -4.7164 -4.5929 -4.5929 -4.5402 -4.5402 -4.4628 -4.4628 -4.2817 -4.2817 -3.7230 -3.7230 -3.5283 -3.5283 -3.2510 -3.2510 0.2189 0.2189 0.4584 0.4584 4.5115 4.5115 4.7621 4.7621 4.9679 4.9679 6.2782 6.2782 6.5819 6.5819 6.8060 6.8060 6.9714 6.9714 7.2396 7.2396 7.4712 7.4712 9.3707 9.3707 9.4254 9.4254 10.4837 10.4837 10.6660 10.6660 10.6829 10.6829 11.5821 11.5822 k = 0.1694 0.3008 1.1215 ( 8598 PWs) bands (ev): -19.8436 -19.8436 -19.8425 -19.8425 -19.2123 -19.2123 -19.2095 -19.2095 -9.8189 -9.8189 -6.5428 -6.5428 -6.5305 -6.5305 -6.2233 -6.2233 -5.5320 -5.5320 -4.7202 -4.7202 -4.5913 -4.5913 -4.5419 -4.5419 -4.4641 -4.4641 -4.2816 -4.2816 -3.7068 -3.7068 -3.4977 -3.4977 -3.2415 -3.2415 0.2032 0.2032 0.4577 0.4577 4.5005 4.5005 4.7495 4.7495 4.8844 4.8844 6.3052 6.3052 6.5870 6.5870 6.8144 6.8144 6.9963 6.9963 7.2555 7.2555 7.4812 7.4812 9.3505 9.3505 9.4068 9.4068 10.4913 10.4913 10.6576 10.6576 10.6684 10.6684 11.6108 11.6108 k = 0.1774 0.2808 1.1431 ( 8596 PWs) bands (ev): -19.8434 -19.8434 -19.8424 -19.8424 -19.2116 -19.2116 -19.2092 -19.2092 -9.8357 -9.8357 -6.5424 -6.5424 -6.5313 -6.5313 -6.2314 -6.2314 -5.5213 -5.5213 -4.7237 -4.7237 -4.5896 -4.5896 -4.5437 -4.5437 -4.4652 -4.4652 -4.2816 -4.2816 -3.6923 -3.6923 -3.4689 -3.4689 -3.2313 -3.2313 0.1885 0.1885 0.4571 0.4571 4.4901 4.4901 4.7374 4.7374 4.8064 4.8064 6.3296 6.3296 6.5926 6.5926 6.8202 6.8202 7.0218 7.0218 7.2723 7.2723 7.4902 7.4902 9.3337 9.3337 9.3883 9.3883 10.4953 10.4953 10.6387 10.6387 10.6696 10.6696 11.5950 11.5950 k = 0.1855 0.2608 1.1647 ( 8594 PWs) bands (ev): -19.8432 -19.8432 -19.8423 -19.8423 -19.2109 -19.2109 -19.2090 -19.2090 -9.8510 -9.8510 -6.5420 -6.5420 -6.5320 -6.5320 -6.2388 -6.2388 -5.5116 -5.5116 -4.7269 -4.7269 -4.5879 -4.5879 -4.5458 -4.5458 -4.4661 -4.4661 -4.2815 -4.2815 -3.6794 -3.6794 -3.4425 -3.4425 -3.2206 -3.2206 0.1749 0.1749 0.4566 0.4566 4.4804 4.4804 4.7223 4.7223 4.7386 4.7386 6.3511 6.3511 6.5989 6.5989 6.8239 6.8239 7.0468 7.0468 7.2899 7.2899 7.4981 7.4981 9.3199 9.3199 9.3701 9.3701 10.4978 10.4978 10.6226 10.6226 10.6709 10.6709 11.5627 11.5627 k = 0.1935 0.2408 1.1862 ( 8590 PWs) bands (ev): -19.8431 -19.8431 -19.8422 -19.8422 -19.2103 -19.2103 -19.2089 -19.2089 -9.8648 -9.8648 -6.5416 -6.5416 -6.5328 -6.5328 -6.2455 -6.2455 -5.5031 -5.5031 -4.7298 -4.7298 -4.5860 -4.5860 -4.5481 -4.5481 -4.4669 -4.4669 -4.2815 -4.2815 -3.6681 -3.6681 -3.4191 -3.4191 -3.2094 -3.2094 0.1626 0.1626 0.4560 0.4560 4.4716 4.4716 4.6664 4.6664 4.7191 4.7191 6.3694 6.3694 6.6059 6.6059 6.8261 6.8261 7.0700 7.0700 7.3080 7.3080 7.5048 7.5048 9.3088 9.3088 9.3529 9.3529 10.5005 10.5005 10.6099 10.6099 10.6702 10.6702 11.5270 11.5270 k = 0.2016 0.2208 1.2078 ( 8598 PWs) bands (ev): -19.8429 -19.8429 -19.8421 -19.8421 -19.2098 -19.2098 -19.2087 -19.2087 -9.8770 -9.8770 -6.5412 -6.5412 -6.5336 -6.5336 -6.2515 -6.2515 -5.4957 -5.4957 -4.7322 -4.7322 -4.5839 -4.5839 -4.5506 -4.5506 -4.4674 -4.4674 -4.2815 -4.2815 -3.6585 -3.6585 -3.3989 -3.3989 -3.1981 -3.1981 0.1518 0.1518 0.4556 0.4556 4.4637 4.4637 4.6087 4.6087 4.7100 4.7100 6.3845 6.3845 6.6135 6.6135 6.8272 6.8272 7.0907 7.0907 7.3263 7.3263 7.5101 7.5101 9.3000 9.3000 9.3371 9.3371 10.5039 10.5039 10.6007 10.6007 10.6667 10.6667 11.4909 11.4909 k = 0.2097 0.2008 1.2294 ( 8594 PWs) bands (ev): -19.8428 -19.8428 -19.8421 -19.8421 -19.2093 -19.2093 -19.2086 -19.2086 -9.8875 -9.8875 -6.5407 -6.5407 -6.5343 -6.5343 -6.2566 -6.2566 -5.4893 -5.4893 -4.7343 -4.7343 -4.5818 -4.5818 -4.5532 -4.5532 -4.4679 -4.4679 -4.2814 -4.2814 -3.6504 -3.6504 -3.3821 -3.3821 -3.1872 -3.1872 0.1424 0.1424 0.4552 0.4552 4.4568 4.4568 4.5586 4.5586 4.7026 4.7026 6.3967 6.3967 6.6212 6.6212 6.8277 6.8277 7.1084 7.1084 7.3440 7.3440 7.5139 7.5139 9.2930 9.2930 9.3231 9.3231 10.5085 10.5085 10.5946 10.5946 10.6604 10.6604 11.4565 11.4565 k = 0.2177 0.1808 1.2509 ( 8594 PWs) bands (ev): -19.8427 -19.8427 -19.8420 -19.8420 -19.2090 -19.2090 -19.2085 -19.2085 -9.8961 -9.8961 -6.5402 -6.5402 -6.5351 -6.5351 -6.2609 -6.2609 -5.4842 -5.4842 -4.7361 -4.7361 -4.5794 -4.5794 -4.5560 -4.5560 -4.4682 -4.4682 -4.2814 -4.2814 -3.6438 -3.6438 -3.3687 -3.3687 -3.1772 -3.1772 0.1346 0.1346 0.4548 0.4548 4.4511 4.4511 4.5168 4.5168 4.6964 4.6964 6.4060 6.4060 6.6285 6.6285 6.8277 6.8277 7.1228 7.1228 7.3606 7.3606 7.5164 7.5164 9.2874 9.2874 9.3116 9.3116 10.5140 10.5140 10.5917 10.5917 10.6517 10.6517 11.4255 11.4255 k = 0.2258 0.1608 1.2725 ( 8590 PWs) bands (ev): -19.8426 -19.8426 -19.8420 -19.8420 -19.2087 -19.2087 -19.2084 -19.2084 -9.9029 -9.9029 -6.5397 -6.5397 -6.5358 -6.5358 -6.2642 -6.2642 -5.4801 -5.4801 -4.7374 -4.7374 -4.5770 -4.5770 -4.5589 -4.5589 -4.4684 -4.4684 -4.2814 -4.2814 -3.6387 -3.6387 -3.3586 -3.3586 -3.1686 -3.1686 0.1285 0.1285 0.4545 0.4545 4.4466 4.4466 4.4838 4.4838 4.6916 4.6916 6.4129 6.4129 6.6349 6.6349 6.8274 6.8274 7.1339 7.1339 7.3751 7.3751 7.5177 7.5177 9.2827 9.2827 9.3030 9.3030 10.5198 10.5198 10.5916 10.5916 10.6413 10.6413 11.3994 11.3994 k = 0.2339 0.1408 1.2941 ( 8582 PWs) bands (ev): -19.8425 -19.8425 -19.8419 -19.8419 -19.2084 -19.2084 -19.2083 -19.2083 -9.9078 -9.9078 -6.5391 -6.5391 -6.5365 -6.5365 -6.2667 -6.2667 -5.4773 -5.4773 -4.7383 -4.7383 -4.5744 -4.5744 -4.5617 -4.5617 -4.4686 -4.4686 -4.2814 -4.2814 -3.6351 -3.6351 -3.3515 -3.3515 -3.1620 -3.1620 0.1241 0.1241 0.4543 0.4543 4.4431 4.4431 4.4602 4.4602 4.6881 4.6881 6.4176 6.4176 6.6398 6.6398 6.8272 6.8272 7.1418 7.1418 7.3864 7.3864 7.5182 7.5182 9.2789 9.2789 9.2974 9.2974 10.5250 10.5250 10.5945 10.5945 10.6300 10.6300 11.3796 11.3796 k = 0.2419 0.1208 1.3156 ( 8578 PWs) bands (ev): -19.8425 -19.8425 -19.8419 -19.8419 -19.2083 -19.2083 -19.2083 -19.2083 -9.9107 -9.9107 -6.5386 -6.5386 -6.5372 -6.5372 -6.2681 -6.2681 -5.4755 -5.4755 -4.7389 -4.7389 -4.5720 -4.5720 -4.5643 -4.5643 -4.4687 -4.4687 -4.2814 -4.2814 -3.6329 -3.6329 -3.3474 -3.3474 -3.1579 -3.1579 0.1214 0.1214 0.4542 0.4542 4.4404 4.4404 4.4465 4.4465 4.6860 4.6860 6.4204 6.4204 6.6430 6.6430 6.8269 6.8269 7.1464 7.1464 7.3937 7.3937 7.5181 7.5181 9.2762 9.2762 9.2945 9.2945 10.5288 10.5288 10.6002 10.6002 10.6187 10.6187 11.3673 11.3673 k = 0.2500 0.1008 1.3372 ( 8568 PWs) bands (ev): -19.8424 -19.8424 -19.8419 -19.8419 -19.2083 -19.2083 -19.2083 -19.2083 -9.9117 -9.9117 -6.5382 -6.5382 -6.5376 -6.5376 -6.2686 -6.2686 -5.4750 -5.4750 -4.7391 -4.7391 -4.5706 -4.5706 -4.5657 -4.5657 -4.4687 -4.4687 -4.2814 -4.2814 -3.6322 -3.6322 -3.3460 -3.3460 -3.1565 -3.1565 0.1205 0.1205 0.4542 0.4542 4.4384 4.4384 4.4430 4.4430 4.6853 4.6853 6.4213 6.4213 6.6440 6.6440 6.8269 6.8269 7.1480 7.1480 7.3963 7.3963 7.5181 7.5181 9.2752 9.2752 9.2935 9.2935 10.5301 10.5301 10.6079 10.6079 10.6091 10.6091 11.3631 11.3631 k = 0.2500 0.1008 1.3372 ( 8568 PWs) bands (ev): -19.8424 -19.8424 -19.8419 -19.8419 -19.2083 -19.2083 -19.2083 -19.2083 -9.9117 -9.9117 -6.5382 -6.5382 -6.5376 -6.5376 -6.2686 -6.2686 -5.4750 -5.4750 -4.7391 -4.7391 -4.5706 -4.5706 -4.5657 -4.5657 -4.4687 -4.4687 -4.2814 -4.2814 -3.6322 -3.6322 -3.3460 -3.3460 -3.1565 -3.1565 0.1205 0.1205 0.4542 0.4542 4.4384 4.4384 4.4430 4.4430 4.6853 4.6853 6.4213 6.4213 6.6440 6.6440 6.8269 6.8269 7.1480 7.1480 7.3963 7.3963 7.5181 7.5181 9.2752 9.2752 9.2935 9.2935 10.5301 10.5301 10.6079 10.6079 10.6091 10.6091 11.3631 11.3631 k = 0.2750 0.1109 1.3263 ( 8574 PWs) bands (ev): -19.8424 -19.8424 -19.8419 -19.8419 -19.2083 -19.2083 -19.2082 -19.2082 -9.9116 -9.9116 -6.5382 -6.5382 -6.5375 -6.5375 -6.2686 -6.2686 -5.4750 -5.4750 -4.7391 -4.7391 -4.5744 -4.5744 -4.5616 -4.5616 -4.4691 -4.4691 -4.2814 -4.2814 -3.6323 -3.6323 -3.3462 -3.3462 -3.1567 -3.1567 0.1206 0.1206 0.4543 0.4543 4.4388 4.4388 4.4434 4.4434 4.6852 4.6852 6.4213 6.4213 6.6443 6.6443 6.8280 6.8280 7.1474 7.1474 7.3957 7.3957 7.5172 7.5172 9.2541 9.2541 9.3154 9.3154 10.5296 10.5296 10.6051 10.6051 10.6116 10.6116 11.3663 11.3663 k = 0.3000 0.1209 1.3155 ( 8576 PWs) bands (ev): -19.8425 -19.8425 -19.8419 -19.8419 -19.2084 -19.2084 -19.2082 -19.2082 -9.9112 -9.9112 -6.5384 -6.5384 -6.5374 -6.5374 -6.2684 -6.2684 -5.4752 -5.4752 -4.7389 -4.7389 -4.5796 -4.5796 -4.5555 -4.5555 -4.4702 -4.4702 -4.2812 -4.2812 -3.6326 -3.6326 -3.3467 -3.3467 -3.1572 -3.1572 0.1207 0.1207 0.4546 0.4546 4.4399 4.4399 4.4444 4.4444 4.6848 4.6848 6.4212 6.4212 6.6451 6.6451 6.8312 6.8312 7.1459 7.1459 7.3938 7.3938 7.5147 7.5147 9.2273 9.2273 9.3443 9.3443 10.5278 10.5278 10.6024 10.6024 10.6141 10.6141 11.3758 11.3758 k = 0.3250 0.1310 1.3046 ( 8577 PWs) bands (ev): -19.8425 -19.8425 -19.8419 -19.8419 -19.2086 -19.2086 -19.2080 -19.2080 -9.9106 -9.9106 -6.5386 -6.5386 -6.5372 -6.5372 -6.2681 -6.2681 -5.4756 -5.4756 -4.7386 -4.7386 -4.5844 -4.5844 -4.5491 -4.5491 -4.4721 -4.4721 -4.2810 -4.2810 -3.6330 -3.6330 -3.3476 -3.3476 -3.1581 -3.1581 0.1208 0.1208 0.4551 0.4551 4.4416 4.4416 4.4461 4.4461 4.6841 4.6841 6.4207 6.4207 6.6464 6.6464 6.8361 6.8361 7.1436 7.1436 7.3909 7.3909 7.5110 7.5110 9.2020 9.2020 9.3731 9.3731 10.5246 10.5246 10.6008 10.6008 10.6158 10.6158 11.3907 11.3907 k = 0.3500 0.1411 1.2937 ( 8587 PWs) bands (ev): -19.8425 -19.8425 -19.8419 -19.8419 -19.2088 -19.2088 -19.2078 -19.2078 -9.9097 -9.9097 -6.5387 -6.5387 -6.5370 -6.5370 -6.2676 -6.2676 -5.4761 -5.4761 -4.7381 -4.7381 -4.5888 -4.5888 -4.5426 -4.5426 -4.4747 -4.4747 -4.2808 -4.2808 -3.6337 -3.6337 -3.3488 -3.3488 -3.1593 -3.1593 0.1211 0.1211 0.4558 0.4558 4.4441 4.4441 4.4485 4.4485 4.6833 4.6833 6.4198 6.4198 6.6481 6.6481 6.8420 6.8420 7.1409 7.1409 7.3869 7.3869 7.5067 7.5067 9.1792 9.1792 9.4005 9.4005 10.5198 10.5198 10.6006 10.6006 10.6171 10.6171 11.4097 11.4097 k = 0.3750 0.1512 1.2829 ( 8582 PWs) bands (ev): -19.8425 -19.8425 -19.8420 -19.8420 -19.2091 -19.2091 -19.2076 -19.2076 -9.9086 -9.9086 -6.5389 -6.5389 -6.5367 -6.5367 -6.2671 -6.2671 -5.4768 -5.4768 -4.7376 -4.7376 -4.5927 -4.5927 -4.5361 -4.5361 -4.4779 -4.4779 -4.2804 -4.2804 -3.6345 -3.6345 -3.3504 -3.3504 -3.1609 -3.1609 0.1215 0.1215 0.4566 0.4566 4.4471 4.4471 4.4516 4.4516 4.6825 4.6825 6.4182 6.4182 6.6500 6.6500 6.8481 6.8481 7.1383 7.1383 7.3822 7.3822 7.5023 7.5023 9.1594 9.1594 9.4258 9.4258 10.5136 10.5136 10.6017 10.6017 10.6184 10.6184 11.4309 11.4309 k = 0.4000 0.1613 1.2720 ( 8580 PWs) bands (ev): -19.8425 -19.8425 -19.8420 -19.8420 -19.2095 -19.2095 -19.2073 -19.2073 -9.9072 -9.9072 -6.5391 -6.5391 -6.5365 -6.5365 -6.2664 -6.2664 -5.4776 -5.4776 -4.7370 -4.7370 -4.5960 -4.5960 -4.5298 -4.5298 -4.4815 -4.4815 -4.2801 -4.2801 -3.6355 -3.6355 -3.3523 -3.3523 -3.1629 -3.1629 0.1222 0.1222 0.4575 0.4575 4.4508 4.4508 4.4556 4.4556 4.6819 4.6819 6.4158 6.4158 6.6520 6.6520 6.8534 6.8534 7.1362 7.1362 7.3770 7.3770 7.4982 7.4982 9.1430 9.1430 9.4482 9.4482 10.5062 10.5062 10.6041 10.6041 10.6201 10.6201 11.4517 11.4517 k = 0.4250 0.1713 1.2611 ( 8580 PWs) bands (ev): -19.8425 -19.8425 -19.8420 -19.8420 -19.2099 -19.2099 -19.2070 -19.2070 -9.9056 -9.9056 -6.5393 -6.5393 -6.5363 -6.5363 -6.2656 -6.2656 -5.4786 -5.4786 -4.7362 -4.7362 -4.5987 -4.5987 -4.5240 -4.5240 -4.4852 -4.4852 -4.2797 -4.2797 -3.6367 -3.6367 -3.3546 -3.3546 -3.1651 -3.1651 0.1231 0.1231 0.4583 0.4583 4.4550 4.4550 4.4604 4.4604 4.6816 4.6816 6.4126 6.4126 6.6537 6.6537 6.8570 6.8570 7.1351 7.1351 7.3718 7.3718 7.4948 7.4948 9.1304 9.1304 9.4669 9.4669 10.4979 10.4979 10.6076 10.6076 10.6227 10.6227 11.4691 11.4691 k = 0.4500 0.1814 1.2503 ( 8573 PWs) bands (ev): -19.8424 -19.8424 -19.8421 -19.8421 -19.2104 -19.2104 -19.2066 -19.2066 -9.9037 -9.9037 -6.5395 -6.5395 -6.5360 -6.5360 -6.2647 -6.2647 -5.4797 -5.4797 -4.7355 -4.7355 -4.6007 -4.6007 -4.5190 -4.5190 -4.4888 -4.4888 -4.2794 -4.2794 -3.6381 -3.6381 -3.3572 -3.3572 -3.1677 -3.1677 0.1243 0.1243 0.4591 0.4591 4.4597 4.4597 4.4659 4.4659 4.6817 4.6817 6.4087 6.4087 6.6551 6.6551 6.8580 6.8580 7.1353 7.1353 7.3668 7.3668 7.4924 7.4924 9.1220 9.1220 9.4814 9.4814 10.4887 10.4887 10.6122 10.6122 10.6265 10.6265 11.4803 11.4803 k = 0.4750 0.1915 1.2394 ( 8570 PWs) bands (ev): -19.8424 -19.8424 -19.8421 -19.8421 -19.2110 -19.2110 -19.2062 -19.2062 -9.9016 -9.9016 -6.5397 -6.5397 -6.5357 -6.5357 -6.2637 -6.2637 -5.4809 -5.4809 -4.7346 -4.7346 -4.6021 -4.6021 -4.5157 -4.5157 -4.4912 -4.4912 -4.2791 -4.2791 -3.6396 -3.6396 -3.3602 -3.3602 -3.1706 -3.1706 0.1258 0.1258 0.4597 0.4597 4.4650 4.4650 4.4723 4.4723 4.6824 4.6824 6.4040 6.4040 6.6558 6.6558 6.8561 6.8561 7.1365 7.1365 7.3623 7.3623 7.4915 7.4915 9.1177 9.1177 9.4914 9.4914 10.4789 10.4789 10.6181 10.6181 10.6315 10.6315 11.4842 11.4842 k = 0.5000 0.2016 1.2285 ( 8568 PWs) bands (ev): -19.8424 -19.8424 -19.8422 -19.8422 -19.2116 -19.2116 -19.2057 -19.2057 -9.8993 -9.8993 -6.5399 -6.5399 -6.5354 -6.5354 -6.2625 -6.2625 -5.4823 -5.4823 -4.7338 -4.7338 -4.6027 -4.6027 -4.5153 -4.5153 -4.4914 -4.4914 -4.2789 -4.2789 -3.6413 -3.6413 -3.3636 -3.3636 -3.1737 -3.1737 0.1277 0.1277 0.4602 0.4602 4.4708 4.4708 4.4795 4.4795 4.6837 4.6837 6.3988 6.3988 6.6557 6.6557 6.8515 6.8515 7.1383 7.1383 7.3585 7.3585 7.4922 7.4922 9.1178 9.1178 9.4967 9.4967 10.4685 10.4685 10.6250 10.6250 10.6378 10.6378 11.4821 11.4821 k = 0.5000 0.2016 1.2285 ( 8568 PWs) bands (ev): -19.8424 -19.8424 -19.8422 -19.8422 -19.2116 -19.2116 -19.2057 -19.2057 -9.8993 -9.8993 -6.5399 -6.5399 -6.5354 -6.5354 -6.2625 -6.2625 -5.4823 -5.4823 -4.7338 -4.7338 -4.6027 -4.6027 -4.5153 -4.5153 -4.4914 -4.4914 -4.2789 -4.2789 -3.6413 -3.6413 -3.3636 -3.3636 -3.1737 -3.1737 0.1277 0.1277 0.4602 0.4602 4.4708 4.4708 4.4795 4.4795 4.6837 4.6837 6.3988 6.3988 6.6557 6.6557 6.8515 6.8515 7.1383 7.1383 7.3585 7.3585 7.4922 7.4922 9.1178 9.1178 9.4967 9.4967 10.4685 10.4685 10.6250 10.6250 10.6378 10.6378 11.4821 11.4821 k = 0.5000 0.2016 1.1978 ( 8568 PWs) bands (ev): -19.8424 -19.8424 -19.8423 -19.8423 -19.2137 -19.2137 -19.2040 -19.2040 -9.8913 -9.8913 -6.5405 -6.5405 -6.5345 -6.5345 -6.2587 -6.2587 -5.4871 -5.4871 -4.7312 -4.7312 -4.6037 -4.6037 -4.5185 -4.5185 -4.4880 -4.4880 -4.2784 -4.2784 -3.6472 -3.6472 -3.3750 -3.3750 -3.1842 -3.1842 0.1343 0.1343 0.4612 0.4612 4.4903 4.4903 4.5040 4.5040 4.6889 4.6889 6.3815 6.3815 6.6545 6.6545 6.8336 6.8336 7.1431 7.1431 7.3479 7.3479 7.4964 7.4964 9.1249 9.1249 9.5061 9.5061 10.4352 10.4352 10.6483 10.6483 10.6607 10.6607 11.4648 11.4648 k = 0.5000 0.2016 1.1671 ( 8568 PWs) bands (ev): -19.8426 -19.8426 -19.8424 -19.8424 -19.2163 -19.2163 -19.2019 -19.2019 -9.8814 -9.8814 -6.5412 -6.5412 -6.5335 -6.5335 -6.2540 -6.2540 -5.4930 -5.4930 -4.7279 -4.7279 -4.6049 -4.6049 -4.5219 -4.5219 -4.4846 -4.4846 -4.2778 -4.2778 -3.6545 -3.6545 -3.3893 -3.3893 -3.1967 -3.1967 0.1424 0.1424 0.4623 0.4623 4.5142 4.5142 4.5342 4.5342 4.6953 4.6953 6.3604 6.3604 6.6540 6.6540 6.8129 6.8129 7.1472 7.1472 7.3367 7.3367 7.4999 7.4999 9.1339 9.1339 9.5183 9.5183 10.3966 10.3966 10.6764 10.6764 10.6892 10.6892 11.4388 11.4388 k = 0.5000 0.2016 1.1364 ( 8566 PWs) bands (ev): -19.8428 -19.8428 -19.8424 -19.8424 -19.2194 -19.2194 -19.1995 -19.1995 -9.8696 -9.8696 -6.5420 -6.5420 -6.5322 -6.5322 -6.2485 -6.2485 -5.5001 -5.5001 -4.7240 -4.7240 -4.6061 -4.6061 -4.5255 -4.5255 -4.4810 -4.4810 -4.2772 -4.2772 -3.6632 -3.6632 -3.4065 -3.4065 -3.2107 -3.2107 0.1519 0.1519 0.4634 0.4634 4.5426 4.5426 4.5700 4.5700 4.7029 4.7029 6.3364 6.3364 6.6535 6.6535 6.7902 6.7902 7.1507 7.1507 7.3257 7.3257 7.5019 7.5019 9.1446 9.1446 9.5337 9.5337 10.3544 10.3544 10.7082 10.7082 10.7224 10.7224 11.4075 11.4075 k = 0.5000 0.2016 1.1057 ( 8568 PWs) bands (ev): -19.8431 -19.8431 -19.8424 -19.8424 -19.2230 -19.2230 -19.1966 -19.1966 -9.8560 -9.8560 -6.5428 -6.5428 -6.5309 -6.5309 -6.2423 -6.2423 -5.5083 -5.5083 -4.7194 -4.7194 -4.6074 -4.6074 -4.5292 -4.5292 -4.4773 -4.4773 -4.2766 -4.2766 -3.6732 -3.6732 -3.4266 -3.4266 -3.2258 -3.2258 0.1626 0.1626 0.4643 0.4643 4.5752 4.5752 4.6110 4.6110 4.7117 4.7117 6.3106 6.3106 6.6510 6.6510 6.7676 6.7676 7.1541 7.1541 7.3156 7.3156 7.5015 7.5015 9.1572 9.1572 9.5524 9.5524 10.3099 10.3099 10.7423 10.7423 10.7596 10.7596 11.3746 11.3746 k = 0.5000 0.2016 1.0750 ( 8560 PWs) bands (ev): -19.8434 -19.8434 -19.8424 -19.8424 -19.2270 -19.2270 -19.1934 -19.1934 -9.8406 -9.8406 -6.5437 -6.5437 -6.5294 -6.5294 -6.2355 -6.2355 -5.5177 -5.5177 -4.7141 -4.7141 -4.6087 -4.6087 -4.5331 -4.5331 -4.4735 -4.4735 -4.2761 -4.2761 -3.6846 -3.6846 -3.4495 -3.4495 -3.2418 -3.2418 0.1744 0.1744 0.4650 0.4650 4.6121 4.6121 4.6568 4.6568 4.7217 4.7217 6.2841 6.2841 6.6423 6.6423 6.7494 6.7494 7.1576 7.1576 7.3067 7.3067 7.4980 7.4980 9.1717 9.1717 9.5745 9.5745 10.2639 10.2639 10.7772 10.7772 10.7999 10.7999 11.3432 11.3432 k = 0.5000 0.2016 1.0442 ( 8572 PWs) bands (ev): -19.8438 -19.8438 -19.8423 -19.8423 -19.2315 -19.2315 -19.1899 -19.1899 -9.8234 -9.8234 -6.5447 -6.5447 -6.5277 -6.5277 -6.2283 -6.2283 -5.5282 -5.5282 -4.7081 -4.7081 -4.6099 -4.6099 -4.5371 -4.5371 -4.4697 -4.4697 -4.2757 -4.2757 -3.6972 -3.6972 -3.4750 -3.4750 -3.2581 -3.2581 0.1871 0.1871 0.4652 0.4652 4.6530 4.6530 4.7068 4.7068 4.7330 4.7330 6.2581 6.2581 6.6224 6.6224 6.7408 6.7408 7.1614 7.1614 7.2994 7.2994 7.4910 7.4910 9.1881 9.1881 9.6002 9.6002 10.2168 10.2168 10.8119 10.8119 10.8419 10.8419 11.3150 11.3150 k = 0.5000 0.2016 1.0135 ( 8584 PWs) bands (ev): -19.8442 -19.8442 -19.8423 -19.8423 -19.2363 -19.2363 -19.1860 -19.1860 -9.8046 -9.8046 -6.5458 -6.5458 -6.5258 -6.5258 -6.2207 -6.2207 -5.5398 -5.5398 -4.7015 -4.7015 -4.6111 -4.6111 -4.5412 -4.5412 -4.4659 -4.4659 -4.2756 -4.2756 -3.7111 -3.7111 -3.5028 -3.5028 -3.2747 -3.2747 0.2005 0.2005 0.4648 0.4648 4.6976 4.6976 4.7437 4.7437 4.7627 4.7627 6.2336 6.2336 6.5914 6.5914 6.7425 6.7425 7.1650 7.1650 7.2942 7.2942 7.4804 7.4804 9.2063 9.2063 9.6296 9.6296 10.1687 10.1687 10.8456 10.8456 10.8831 10.8831 11.2907 11.2907 k = 0.5000 0.2016 0.9828 ( 8592 PWs) bands (ev): -19.8446 -19.8446 -19.8423 -19.8423 -19.2415 -19.2415 -19.1818 -19.1818 -9.7842 -9.7842 -6.5470 -6.5470 -6.5238 -6.5238 -6.2129 -6.2129 -5.5524 -5.5524 -4.6942 -4.6942 -4.6121 -4.6121 -4.5454 -4.5454 -4.4621 -4.4621 -4.2759 -4.2759 -3.7262 -3.7262 -3.5324 -3.5324 -3.2911 -3.2911 0.2146 0.2146 0.4637 0.4637 4.7456 4.7456 4.7577 4.7577 4.8205 4.8205 6.2114 6.2114 6.5532 6.5532 6.7513 6.7513 7.1675 7.1675 7.2915 7.2915 7.4664 7.4664 9.2265 9.2265 9.6626 9.6626 10.1197 10.1197 10.8775 10.8775 10.9204 10.9204 11.2703 11.2703 k = 0.5000 0.2016 0.9521 ( 8598 PWs) bands (ev): -19.8450 -19.8450 -19.8423 -19.8423 -19.2471 -19.2471 -19.1773 -19.1773 -9.7623 -9.7623 -6.5482 -6.5482 -6.5217 -6.5217 -6.2050 -6.2050 -5.5660 -5.5660 -4.6862 -4.6862 -4.6131 -4.6131 -4.5495 -4.5495 -4.4584 -4.4584 -4.2767 -4.2767 -3.7425 -3.7425 -3.5635 -3.5635 -3.3072 -3.3072 0.2290 0.2290 0.4616 0.4616 4.7709 4.7709 4.7983 4.7983 4.8821 4.8821 6.1924 6.1924 6.5113 6.5113 6.7646 6.7646 7.1677 7.1677 7.2918 7.2918 7.4498 7.4498 9.2487 9.2487 9.6992 9.6992 10.0701 10.0701 10.9069 10.9069 10.9500 10.9500 11.2528 11.2528 k = 0.5000 0.2016 0.9214 ( 8610 PWs) bands (ev): -19.8455 -19.8455 -19.8423 -19.8423 -19.2529 -19.2529 -19.1726 -19.1726 -9.7389 -9.7389 -6.5495 -6.5495 -6.5194 -6.5194 -6.1972 -6.1972 -5.5804 -5.5804 -4.6777 -4.6777 -4.6139 -4.6139 -4.5536 -4.5536 -4.4548 -4.4548 -4.2781 -4.2781 -3.7600 -3.7600 -3.5954 -3.5954 -3.3230 -3.3230 0.2436 0.2436 0.4585 0.4585 4.7859 4.7859 4.8533 4.8533 4.9468 4.9468 6.1771 6.1771 6.4680 6.4680 6.7811 6.7811 7.1645 7.1645 7.2946 7.2946 7.4323 7.4323 9.2728 9.2728 9.7392 9.7392 10.0200 10.0200 10.9331 10.9331 10.9675 10.9675 11.2361 11.2361 k = 0.5000 0.2016 0.8907 ( 8610 PWs) bands (ev): -19.8460 -19.8460 -19.8423 -19.8423 -19.2590 -19.2590 -19.1676 -19.1676 -9.7142 -9.7142 -6.5508 -6.5508 -6.5170 -6.5170 -6.1898 -6.1898 -5.5957 -5.5957 -4.6685 -4.6685 -4.6146 -4.6146 -4.5575 -4.5575 -4.4512 -4.4512 -4.2804 -4.2804 -3.7786 -3.7786 -3.6274 -3.6274 -3.3383 -3.3383 0.2581 0.2581 0.4543 0.4543 4.8016 4.8016 4.9114 4.9114 5.0141 5.0141 6.1660 6.1660 6.4249 6.4249 6.7999 6.7999 7.1575 7.1575 7.2977 7.2977 7.4167 7.4167 9.2988 9.2988 9.7825 9.7825 9.9698 9.9698 10.9550 10.9550 10.9688 10.9688 11.2173 11.2173 k = 0.5000 0.2016 0.8600 ( 8620 PWs) bands (ev): -19.8466 -19.8466 -19.8423 -19.8423 -19.2654 -19.2654 -19.1624 -19.1624 -9.6882 -9.6882 -6.5522 -6.5522 -6.5144 -6.5144 -6.1828 -6.1828 -5.6116 -5.6116 -4.6589 -4.6589 -4.6152 -4.6152 -4.5612 -4.5612 -4.4478 -4.4478 -4.2837 -4.2837 -3.7983 -3.7983 -3.6589 -3.6589 -3.3530 -3.3530 0.2723 0.2723 0.4487 0.4487 4.8181 4.8181 4.9723 4.9723 5.0836 5.0836 6.1596 6.1596 6.3833 6.3833 6.8206 6.8206 7.1467 7.1467 7.2968 7.2968 7.4076 7.4076 9.3267 9.3267 9.8275 9.8275 9.9211 9.9211 10.9511 10.9511 10.9719 10.9719 11.1917 11.1917 k = 0.5000 0.2016 0.8293 ( 8632 PWs) bands (ev): -19.8471 -19.8471 -19.8423 -19.8423 -19.2719 -19.2719 -19.1570 -19.1570 -9.6611 -9.6611 -6.5537 -6.5537 -6.5117 -6.5117 -6.1765 -6.1765 -5.6280 -5.6280 -4.6487 -4.6487 -4.6158 -4.6158 -4.5647 -4.5647 -4.4446 -4.4446 -4.2884 -4.2884 -3.8190 -3.8190 -3.6892 -3.6892 -3.3671 -3.3671 0.2861 0.2861 0.4418 0.4418 4.8353 4.8353 5.0357 5.0357 5.1549 5.1549 6.1579 6.1579 6.3440 6.3440 6.8429 6.8429 7.1325 7.1325 7.2880 7.2880 7.4092 7.4092 9.3565 9.3565 9.8518 9.8518 9.8964 9.8964 10.9146 10.9146 10.9805 10.9805 11.1255 11.1255 k = 0.5000 0.2016 0.7985 ( 8632 PWs) bands (ev): -19.8477 -19.8477 -19.8423 -19.8423 -19.2786 -19.2786 -19.1514 -19.1514 -9.6329 -9.6329 -6.5552 -6.5552 -6.5090 -6.5090 -6.1712 -6.1712 -5.6448 -5.6448 -4.6382 -4.6382 -4.6164 -4.6164 -4.5676 -4.5676 -4.4416 -4.4416 -4.2947 -4.2947 -3.8405 -3.8405 -3.7176 -3.7176 -3.3805 -3.3805 0.2993 0.2993 0.4335 0.4335 4.8531 4.8531 5.1015 5.1015 5.2276 5.2276 6.1610 6.1610 6.3078 6.3078 6.8663 6.8663 7.1152 7.1152 7.2720 7.2720 7.4211 7.4211 9.3882 9.3882 9.8111 9.8111 9.9401 9.9401 10.8607 10.8607 10.9756 10.9756 11.0433 11.0433 k = 0.5000 0.2016 0.7678 ( 8636 PWs) bands (ev): -19.8482 -19.8482 -19.8423 -19.8423 -19.2855 -19.2855 -19.1456 -19.1456 -9.6038 -9.6038 -6.5567 -6.5567 -6.5061 -6.5061 -6.1671 -6.1671 -5.6616 -5.6616 -4.6276 -4.6276 -4.6169 -4.6169 -4.5701 -4.5701 -4.4387 -4.4387 -4.3029 -4.3029 -3.8625 -3.8625 -3.7437 -3.7437 -3.3931 -3.3931 0.3115 0.3115 0.4238 0.4238 4.8717 4.8717 5.1694 5.1694 5.3014 5.3014 6.1689 6.1689 6.2754 6.2754 6.8902 6.8902 7.0957 7.0957 7.2527 7.2527 7.4398 7.4398 9.4215 9.4215 9.7625 9.7625 9.9952 9.9952 10.7923 10.7923 10.9387 10.9387 10.9782 10.9782 k = 0.5000 0.2016 0.7371 ( 8636 PWs) bands (ev): -19.8488 -19.8488 -19.8423 -19.8423 -19.2924 -19.2924 -19.1398 -19.1398 -9.5739 -9.5739 -6.5582 -6.5582 -6.5031 -6.5031 -6.1643 -6.1643 -5.6784 -5.6784 -4.6198 -4.6198 -4.6148 -4.6148 -4.5717 -4.5717 -4.4361 -4.4361 -4.3134 -4.3134 -3.8843 -3.8843 -3.7674 -3.7674 -3.4049 -3.4049 0.3226 0.3226 0.4127 0.4127 4.8908 4.8908 5.2390 5.2390 5.3758 5.3758 6.1810 6.1810 6.2473 6.2473 6.9133 6.9133 7.0760 7.0760 7.2329 7.2329 7.4624 7.4624 9.4563 9.4563 9.7139 9.7139 10.0537 10.0537 10.7125 10.7125 10.8662 10.8662 10.9310 10.9310 k = 0.5000 0.2016 0.7064 ( 8640 PWs) bands (ev): -19.8494 -19.8494 -19.8423 -19.8423 -19.2994 -19.2994 -19.1339 -19.1339 -9.5433 -9.5433 -6.5598 -6.5598 -6.5000 -6.5000 -6.1632 -6.1632 -5.6948 -5.6948 -4.6201 -4.6201 -4.6050 -4.6050 -4.5724 -4.5724 -4.4338 -4.4338 -4.3263 -4.3263 -3.9053 -3.9053 -3.7886 -3.7886 -3.4159 -3.4159 0.3323 0.3323 0.4004 0.4004 4.9106 4.9106 5.3103 5.3103 5.4506 5.4506 6.1959 6.1959 6.2250 6.2250 6.9324 6.9324 7.0603 7.0603 7.2140 7.2140 7.4871 7.4871 9.4926 9.4926 9.6662 9.6662 10.1142 10.1142 10.6245 10.6245 10.7896 10.7896 10.8729 10.8729 k = 0.5000 0.2016 0.6757 ( 8640 PWs) bands (ev): -19.8500 -19.8500 -19.8423 -19.8423 -19.3064 -19.3064 -19.1279 -19.1279 -9.5121 -9.5121 -6.5614 -6.5614 -6.4969 -6.4969 -6.1640 -6.1640 -5.7105 -5.7105 -4.6218 -4.6218 -4.5951 -4.5951 -4.5715 -4.5715 -4.4317 -4.4317 -4.3418 -4.3418 -3.9247 -3.9247 -3.8075 -3.8075 -3.4259 -3.4259 0.3400 0.3400 0.3874 0.3874 4.9310 4.9310 5.3827 5.3827 5.5254 5.5254 6.1990 6.1990 6.2223 6.2223 6.9418 6.9418 7.0560 7.0560 7.1964 7.1964 7.5130 7.5130 9.5298 9.5298 9.6198 9.6198 10.1757 10.1757 10.5310 10.5310 10.7152 10.7152 10.7824 10.7824 k = 0.5000 0.2016 0.6450 ( 8632 PWs) bands (ev): -19.8506 -19.8506 -19.8423 -19.8423 -19.3134 -19.3134 -19.1219 -19.1219 -9.4805 -9.4805 -6.5630 -6.5630 -6.4938 -6.4938 -6.1668 -6.1668 -5.7254 -5.7254 -4.6242 -4.6242 -4.5870 -4.5870 -4.5682 -4.5682 -4.4301 -4.4301 -4.3596 -4.3596 -3.9421 -3.9421 -3.8243 -3.8243 -3.4349 -3.4349 0.3441 0.3441 0.3754 0.3754 4.9519 4.9519 5.4562 5.4562 5.5998 5.5998 6.1869 6.1869 6.2417 6.2417 6.9381 6.9381 7.0682 7.0682 7.1803 7.1803 7.5392 7.5392 9.5667 9.5667 9.5756 9.5756 10.2359 10.2359 10.4355 10.4355 10.6437 10.6437 10.6799 10.6799 k = 0.5000 0.2016 0.6143 ( 8634 PWs) bands (ev): -19.8512 -19.8512 -19.8424 -19.8424 -19.3203 -19.3203 -19.1159 -19.1159 -9.4487 -9.4487 -6.5646 -6.5646 -6.4906 -6.4906 -6.1717 -6.1717 -5.7392 -5.7392 -4.6272 -4.6272 -4.5816 -4.5816 -4.5616 -4.5616 -4.4289 -4.4289 -4.3792 -4.3792 -3.9571 -3.9571 -3.8391 -3.8391 -3.4429 -3.4429 0.3399 0.3399 0.3691 0.3691 4.9732 4.9732 5.5303 5.5303 5.6735 5.6735 6.1776 6.1776 6.2638 6.2638 6.9276 6.9276 7.0927 7.0927 7.1660 7.1660 7.5649 7.5649 9.5312 9.5312 9.6051 9.6051 10.2804 10.2804 10.3527 10.3527 10.5677 10.5677 10.5826 10.5826 k = 0.5000 0.2016 0.5835 ( 8646 PWs) bands (ev): -19.8517 -19.8517 -19.8424 -19.8424 -19.3272 -19.3272 -19.1099 -19.1099 -9.4167 -9.4167 -6.5662 -6.5662 -6.4874 -6.4874 -6.1789 -6.1789 -5.7518 -5.7518 -4.6311 -4.6311 -4.5781 -4.5781 -4.5532 -4.5532 -4.4290 -4.4290 -4.3992 -4.3992 -3.9698 -3.9698 -3.8520 -3.8520 -3.4497 -3.4497 0.3267 0.3267 0.3693 0.3693 4.9951 4.9951 5.6048 5.6048 5.7462 5.7462 6.1725 6.1725 6.2851 6.2851 6.9183 6.9183 7.1206 7.1206 7.1565 7.1565 7.5894 7.5894 9.4897 9.4897 9.6403 9.6403 10.2240 10.2240 10.3637 10.3637 10.4682 10.4682 10.5164 10.5164 k = 0.5000 0.2016 0.5528 ( 8654 PWs) bands (ev): -19.8523 -19.8523 -19.8425 -19.8425 -19.3339 -19.3339 -19.1041 -19.1041 -9.3848 -9.3848 -6.5678 -6.5678 -6.4842 -6.4842 -6.1883 -6.1883 -5.7630 -5.7630 -4.6360 -4.6360 -4.5751 -4.5751 -4.5450 -4.5450 -4.4335 -4.4335 -4.4151 -4.4151 -3.9803 -3.9803 -3.8633 -3.8633 -3.4553 -3.4553 0.3094 0.3094 0.3713 0.3713 5.0173 5.0173 5.6793 5.6793 5.8176 5.8176 6.1713 6.1713 6.3037 6.3037 6.9157 6.9157 7.1280 7.1280 7.1728 7.1728 7.6122 7.6122 9.4500 9.4500 9.6700 9.6700 10.1358 10.1358 10.3360 10.3360 10.4284 10.4284 10.4602 10.4602 k = 0.5000 0.2016 0.5221 ( 8654 PWs) bands (ev): -19.8529 -19.8529 -19.8425 -19.8425 -19.3404 -19.3404 -19.0983 -19.0983 -9.3531 -9.3531 -6.5693 -6.5693 -6.4811 -6.4811 -6.1998 -6.1998 -5.7728 -5.7728 -4.6423 -4.6423 -4.5721 -4.5721 -4.5385 -4.5385 -4.4471 -4.4471 -4.4202 -4.4202 -3.9890 -3.9890 -3.8728 -3.8728 -3.4597 -3.4597 0.2903 0.2903 0.3729 0.3729 5.0398 5.0398 5.7533 5.7533 5.8873 5.8873 6.1732 6.1732 6.3185 6.3185 6.9232 6.9232 7.1181 7.1181 7.2107 7.2107 7.6325 7.6325 9.4122 9.4122 9.6869 9.6869 10.0582 10.0582 10.2345 10.2345 10.3994 10.3994 10.4395 10.4395 k = 0.5000 0.2016 0.4914 ( 8644 PWs) bands (ev): -19.8534 -19.8534 -19.8426 -19.8426 -19.3468 -19.3468 -19.0926 -19.0926 -9.3218 -9.3218 -6.5709 -6.5709 -6.4779 -6.4779 -6.2131 -6.2131 -5.7812 -5.7812 -4.6504 -4.6504 -4.5688 -4.5688 -4.5358 -4.5358 -4.4606 -4.4606 -4.4211 -4.4211 -3.9962 -3.9962 -3.8809 -3.8809 -3.4628 -3.4628 0.2704 0.2704 0.3735 0.3735 5.0624 5.0624 5.8264 5.8264 5.9549 5.9549 6.1770 6.1770 6.3294 6.3294 6.9425 6.9425 7.1063 7.1063 7.2541 7.2541 7.6497 7.6497 9.3763 9.3763 9.6777 9.6777 10.0068 10.0068 10.1295 10.1295 10.3509 10.3509 10.4050 10.4050 k = 0.5000 0.2016 0.4607 ( 8650 PWs) bands (ev): -19.8540 -19.8540 -19.8426 -19.8426 -19.3529 -19.3529 -19.0872 -19.0872 -9.2911 -9.2911 -6.5724 -6.5724 -6.4749 -6.4749 -6.2281 -6.2281 -5.7883 -5.7883 -4.6610 -4.6610 -4.5654 -4.5654 -4.5390 -4.5390 -4.4675 -4.4675 -4.4213 -4.4213 -4.0024 -4.0024 -3.8875 -3.8875 -3.4647 -3.4647 0.2499 0.2499 0.3732 0.3732 5.0851 5.0851 5.8981 5.8981 6.0203 6.0203 6.1807 6.1807 6.3383 6.3383 6.9738 6.9738 7.0945 7.0945 7.3010 7.3010 7.6630 7.6630 9.3422 9.3422 9.6324 9.6324 9.9896 9.9896 10.0291 10.0291 10.3062 10.3062 10.3628 10.3628 k = 0.5000 0.2016 0.4300 ( 8634 PWs) bands (ev): -19.8545 -19.8545 -19.8427 -19.8427 -19.3588 -19.3588 -19.0819 -19.0819 -9.2610 -9.2610 -6.5739 -6.5739 -6.4719 -6.4719 -6.2443 -6.2443 -5.7943 -5.7943 -4.6743 -4.6743 -4.5618 -4.5618 -4.5468 -4.5468 -4.4673 -4.4673 -4.4215 -4.4215 -4.0077 -4.0077 -3.8929 -3.8929 -3.4653 -3.4653 0.2292 0.2292 0.3719 0.3719 5.1077 5.1077 5.9675 5.9675 6.0826 6.0826 6.1821 6.1821 6.3489 6.3489 7.0158 7.0158 7.0831 7.0831 7.3513 7.3513 7.6717 7.6717 9.3099 9.3099 9.5587 9.5587 9.9217 9.9217 10.0125 10.0125 10.2662 10.2662 10.3247 10.3247 k = 0.5000 0.2016 0.3993 ( 8642 PWs) bands (ev): -19.8550 -19.8550 -19.8428 -19.8428 -19.3643 -19.3643 -19.0768 -19.0768 -9.2319 -9.2319 -6.5753 -6.5753 -6.4689 -6.4689 -6.2614 -6.2614 -5.7992 -5.7992 -4.6905 -4.6905 -4.5592 -4.5592 -4.5549 -4.5549 -4.4629 -4.4629 -4.4218 -4.4218 -4.0125 -4.0125 -3.8972 -3.8972 -3.4647 -3.4647 0.2086 0.2086 0.3697 0.3697 5.1298 5.1298 6.0332 6.0332 6.1398 6.1398 6.1820 6.1820 6.3648 6.3648 7.0652 7.0652 7.0734 7.0734 7.4049 7.4049 7.6756 7.6756 9.2792 9.2792 9.4705 9.4705 9.8257 9.8257 10.0437 10.0437 10.2309 10.2309 10.2940 10.2940 k = 0.5000 0.2016 0.3686 ( 8648 PWs) bands (ev): -19.8554 -19.8554 -19.8428 -19.8428 -19.3696 -19.3696 -19.0720 -19.0720 -9.2039 -9.2039 -6.5766 -6.5766 -6.4661 -6.4661 -6.2790 -6.2790 -5.8033 -5.8033 -4.7090 -4.7090 -4.5652 -4.5652 -4.5532 -4.5532 -4.4567 -4.4567 -4.4221 -4.4221 -4.0168 -4.0168 -3.9006 -3.9006 -3.4629 -3.4629 0.1883 0.1883 0.3668 0.3668 5.1515 5.1515 6.0901 6.0901 6.1686 6.1686 6.2074 6.2074 6.3881 6.3881 7.0612 7.0612 7.1239 7.1239 7.4619 7.4619 7.6742 7.6742 9.2499 9.2499 9.3765 9.3765 9.7330 9.7330 10.0833 10.0833 10.2005 10.2005 10.2724 10.2724 k = 0.5000 0.2016 0.3378 ( 8656 PWs) bands (ev): -19.8559 -19.8559 -19.8429 -19.8429 -19.3746 -19.3746 -19.0675 -19.0675 -9.1772 -9.1772 -6.5779 -6.5779 -6.4634 -6.4634 -6.2967 -6.2967 -5.8067 -5.8067 -4.7292 -4.7292 -4.5718 -4.5718 -4.5492 -4.5492 -4.4501 -4.4501 -4.4224 -4.4224 -4.0208 -4.0208 -3.9033 -3.9033 -3.4601 -3.4601 0.1686 0.1686 0.3632 0.3632 5.1723 5.1723 6.1163 6.1163 6.1914 6.1914 6.2580 6.2580 6.4186 6.4186 7.0514 7.0514 7.1843 7.1843 7.5223 7.5223 7.6679 7.6679 9.2204 9.2204 9.2823 9.2823 9.6448 9.6448 10.1253 10.1253 10.1759 10.1759 10.2611 10.2611 k = 0.5000 0.2016 0.3071 ( 8670 PWs) bands (ev): -19.8563 -19.8563 -19.8430 -19.8430 -19.3792 -19.3792 -19.0633 -19.0633 -9.1520 -9.1520 -6.5792 -6.5792 -6.4608 -6.4608 -6.3143 -6.3143 -5.8095 -5.8095 -4.7499 -4.7499 -4.5769 -4.5769 -4.5451 -4.5451 -4.4439 -4.4439 -4.4225 -4.4225 -4.0244 -4.0244 -3.9054 -3.9054 -3.4565 -3.4565 0.1496 0.1496 0.3593 0.3593 5.1922 5.1922 6.1079 6.1079 6.2397 6.2397 6.3075 6.3075 6.4557 6.4557 7.0424 7.0424 7.2451 7.2451 7.5853 7.5853 7.6585 7.6585 9.1707 9.1707 9.2097 9.2097 9.5612 9.5612 10.1450 10.1450 10.1792 10.1792 10.2607 10.2607 k = 0.5000 0.2016 0.2764 ( 8658 PWs) bands (ev): -19.8566 -19.8566 -19.8430 -19.8430 -19.3834 -19.3834 -19.0594 -19.0594 -9.1285 -9.1285 -6.5803 -6.5803 -6.4584 -6.4584 -6.3313 -6.3313 -5.8118 -5.8118 -4.7704 -4.7704 -4.5808 -4.5808 -4.5409 -4.5409 -4.4389 -4.4389 -4.4217 -4.4217 -4.0277 -4.0277 -3.9072 -3.9072 -3.4523 -3.4523 0.1317 0.1317 0.3551 0.3551 5.2109 5.2109 6.0897 6.0897 6.2918 6.2918 6.3538 6.3538 6.4981 6.4981 7.0342 7.0342 7.3025 7.3025 7.6327 7.6327 7.6663 7.6663 9.0815 9.0815 9.1794 9.1794 9.4825 9.4825 10.1298 10.1298 10.2210 10.2210 10.2718 10.2718 k = 0.5000 0.2016 0.2457 ( 8658 PWs) bands (ev): -19.8570 -19.8570 -19.8431 -19.8431 -19.3872 -19.3872 -19.0558 -19.0558 -9.1069 -9.1069 -6.5814 -6.5814 -6.4561 -6.4561 -6.3475 -6.3475 -5.8137 -5.8137 -4.7900 -4.7900 -4.5838 -4.5838 -4.5368 -4.5368 -4.4361 -4.4361 -4.4194 -4.4194 -4.0308 -4.0308 -3.9088 -3.9088 -3.4476 -3.4476 0.1150 0.1150 0.3508 0.3508 5.2281 5.2281 6.0694 6.0694 6.3412 6.3412 6.3963 6.3963 6.5448 6.5448 7.0272 7.0272 7.3503 7.3503 7.6293 7.6293 7.7309 7.7309 8.9888 8.9888 9.1560 9.1560 9.4088 9.4088 10.1153 10.1153 10.2646 10.2646 10.2941 10.2941 k = 0.5000 0.2016 0.2150 ( 8656 PWs) bands (ev): -19.8573 -19.8573 -19.8431 -19.8431 -19.3906 -19.3906 -19.0526 -19.0526 -9.0873 -9.0873 -6.5823 -6.5823 -6.4539 -6.4539 -6.3626 -6.3626 -5.8153 -5.8153 -4.8081 -4.8081 -4.5860 -4.5860 -4.5328 -4.5328 -4.4353 -4.4353 -4.4157 -4.4157 -4.0335 -4.0335 -3.9101 -3.9101 -3.4427 -3.4427 0.0998 0.0998 0.3465 0.3465 5.2438 5.2438 6.0492 6.0492 6.3861 6.3861 6.4349 6.4349 6.5946 6.5946 7.0216 7.0216 7.3795 7.3795 7.6307 7.6307 7.8040 7.8040 8.8980 8.8980 9.1349 9.1349 9.3404 9.3404 10.1035 10.1035 10.3064 10.3064 10.3274 10.3274 k = 0.5000 0.2016 0.1843 ( 8674 PWs) bands (ev): -19.8575 -19.8575 -19.8432 -19.8432 -19.3936 -19.3936 -19.0498 -19.0498 -9.0699 -9.0699 -6.5832 -6.5832 -6.4518 -6.4518 -6.3763 -6.3763 -5.8167 -5.8167 -4.8245 -4.8245 -4.5876 -4.5876 -4.5290 -4.5290 -4.4357 -4.4357 -4.4115 -4.4115 -4.0358 -4.0358 -3.9112 -3.9112 -3.4379 -3.4379 0.0862 0.0862 0.3425 0.3425 5.2577 5.2577 6.0303 6.0303 6.4259 6.4259 6.4694 6.4694 6.6466 6.6466 7.0178 7.0178 7.3820 7.3820 7.6500 7.6500 7.8791 7.8791 8.8103 8.8103 9.1155 9.1155 9.2776 9.2776 10.0943 10.0943 10.3450 10.3450 10.3705 10.3705 k = 0.5000 0.2016 0.1536 ( 8660 PWs) bands (ev): -19.8578 -19.8578 -19.8432 -19.8432 -19.3962 -19.3962 -19.0474 -19.0474 -9.0549 -9.0549 -6.5839 -6.5839 -6.4498 -6.4498 -6.3885 -6.3885 -5.8177 -5.8177 -4.8388 -4.8388 -4.5889 -4.5889 -4.5256 -4.5256 -4.4366 -4.4366 -4.4075 -4.4075 -4.0378 -4.0378 -3.9122 -3.9122 -3.4333 -3.4333 0.0743 0.0743 0.3389 0.3389 5.2697 5.2697 6.0134 6.0134 6.4597 6.4597 6.4996 6.4996 6.6992 6.6992 7.0168 7.0168 7.3602 7.3602 7.6851 7.6851 7.9540 7.9540 8.7265 8.7265 9.0977 9.0977 9.2212 9.2212 10.0875 10.0875 10.3795 10.3795 10.4212 10.4212 k = 0.5000 0.2016 0.1229 ( 8660 PWs) bands (ev): -19.8580 -19.8580 -19.8433 -19.8433 -19.3983 -19.3983 -19.0454 -19.0454 -9.0424 -9.0424 -6.5846 -6.5846 -6.4479 -6.4479 -6.3990 -6.3990 -5.8186 -5.8186 -4.8507 -4.8507 -4.5898 -4.5898 -4.5226 -4.5226 -4.4378 -4.4378 -4.4039 -4.4039 -4.0395 -4.0395 -3.9131 -3.9131 -3.4292 -3.4292 0.0645 0.0645 0.3357 0.3357 5.2797 5.2797 5.9989 5.9989 6.4875 6.4875 6.5252 6.5252 6.7502 6.7502 7.0198 7.0198 7.3225 7.3225 7.7272 7.7272 8.0265 8.0265 8.6477 8.6477 9.0809 9.0809 9.1726 9.1726 10.0826 10.0826 10.4087 10.4087 10.4706 10.4706 k = 0.5000 0.2016 0.0921 ( 8664 PWs) bands (ev): -19.8581 -19.8581 -19.8433 -19.8433 -19.3999 -19.3999 -19.0439 -19.0439 -9.0326 -9.0326 -6.5850 -6.5850 -6.4461 -6.4461 -6.4077 -6.4077 -5.8192 -5.8192 -4.8602 -4.8602 -4.5904 -4.5904 -4.5200 -4.5200 -4.4389 -4.4389 -4.4011 -4.4011 -4.0408 -4.0408 -3.9138 -3.9138 -3.4259 -3.4259 0.0567 0.0567 0.3332 0.3332 5.2875 5.2875 5.9874 5.9874 6.5090 6.5090 6.5458 6.5458 6.7965 6.7965 7.0292 7.0292 7.2759 7.2759 7.7684 7.7684 8.0943 8.0943 8.5755 8.5755 9.0645 9.0645 9.1341 9.1341 10.0793 10.0793 10.4312 10.4312 10.4890 10.4890 k = 0.5000 0.2016 0.0614 ( 8660 PWs) bands (ev): -19.8582 -19.8582 -19.8433 -19.8433 -19.4011 -19.4011 -19.0428 -19.0428 -9.0255 -9.0255 -6.5854 -6.5854 -6.4444 -6.4444 -6.4144 -6.4144 -5.8197 -5.8197 -4.8670 -4.8670 -4.5908 -4.5908 -4.5181 -4.5181 -4.4398 -4.4398 -4.3990 -4.3990 -4.0418 -4.0418 -3.9143 -3.9143 -3.4233 -3.4233 0.0510 0.0510 0.3313 0.3313 5.2932 5.2932 5.9789 5.9789 6.5242 6.5242 6.5609 6.5609 6.8334 6.8334 7.0485 7.0485 7.2248 7.2248 7.8031 7.8031 8.1538 8.1538 8.5126 8.5126 9.0484 9.0484 9.1082 9.1082 10.0772 10.0772 10.4452 10.4452 10.4869 10.4869 k = 0.5000 0.2016 0.0307 ( 8662 PWs) bands (ev): -19.8583 -19.8583 -19.8434 -19.8434 -19.4018 -19.4018 -19.0421 -19.0421 -9.0212 -9.0212 -6.5856 -6.5856 -6.4431 -6.4431 -6.4187 -6.4187 -5.8200 -5.8200 -4.8711 -4.8711 -4.5911 -4.5911 -4.5170 -4.5170 -4.4403 -4.4403 -4.3977 -4.3977 -4.0423 -4.0423 -3.9146 -3.9146 -3.4218 -3.4218 0.0476 0.0476 0.3301 0.3301 5.2966 5.2966 5.9738 5.9738 6.5333 6.5333 6.5701 6.5701 6.8564 6.8564 7.0801 7.0801 7.1726 7.1726 7.8264 7.8264 8.1991 8.1991 8.4651 8.4651 9.0354 9.0354 9.0945 9.0945 10.0761 10.0761 10.4507 10.4507 10.4864 10.4864 k = 0.5000 0.2016-0.0000 ( 8650 PWs) bands (ev): -19.8583 -19.8583 -19.8434 -19.8434 -19.4021 -19.4021 -19.0419 -19.0419 -9.0198 -9.0198 -6.5857 -6.5857 -6.4426 -6.4426 -6.4203 -6.4203 -5.8201 -5.8201 -4.8725 -4.8725 -4.5912 -4.5912 -4.5166 -4.5166 -4.4405 -4.4405 -4.3973 -4.3973 -4.0425 -4.0425 -3.9147 -3.9147 -3.4212 -3.4212 0.0464 0.0464 0.3297 0.3297 5.2977 5.2977 5.9721 5.9721 6.5363 6.5363 6.5732 6.5732 6.8641 6.8641 7.1199 7.1199 7.1259 7.1259 7.8346 7.8346 8.2175 8.2175 8.4459 8.4459 9.0304 9.0304 9.0903 9.0903 10.0757 10.0757 10.4516 10.4516 10.4870 10.4870 k = 0.0000 0.0000 1.3372 ( 8594 PWs) bands (ev): -19.8424 -19.8424 -19.8419 -19.8419 -19.2083 -19.2083 -19.2083 -19.2083 -9.9117 -9.9117 -6.5381 -6.5381 -6.5377 -6.5377 -6.2686 -6.2686 -5.4750 -5.4750 -4.7379 -4.7379 -4.6009 -4.6009 -4.5074 -4.5074 -4.4996 -4.4996 -4.2798 -4.2798 -3.6322 -3.6322 -3.3460 -3.3460 -3.1565 -3.1565 0.1172 0.1172 0.4583 0.4583 4.4384 4.4384 4.4430 4.4430 4.6756 4.6756 6.4257 6.4257 6.6601 6.6601 6.8835 6.8835 7.1256 7.1256 7.3784 7.3784 7.4833 7.4833 9.1069 9.1069 9.4829 9.4829 10.5185 10.5185 10.5866 10.5866 10.6109 10.6109 11.4892 11.4892 k = 0.0278 0.0112 1.3372 ( 8600 PWs) bands (ev): -19.8424 -19.8424 -19.8419 -19.8419 -19.2083 -19.2083 -19.2083 -19.2083 -9.9117 -9.9117 -6.5381 -6.5381 -6.5377 -6.5377 -6.2686 -6.2686 -5.4750 -5.4750 -4.7379 -4.7379 -4.6005 -4.6005 -4.5114 -4.5114 -4.4959 -4.4959 -4.2799 -4.2799 -3.6322 -3.6322 -3.3460 -3.3460 -3.1565 -3.1565 0.1173 0.1173 0.4582 0.4582 4.4384 4.4384 4.4430 4.4430 4.6759 4.6759 6.4256 6.4256 6.6596 6.6596 6.8814 6.8814 7.1266 7.1266 7.3792 7.3792 7.4842 7.4842 9.1095 9.1095 9.4797 9.4797 10.5188 10.5188 10.5872 10.5872 10.6109 10.6109 11.4847 11.4847 k = 0.0556 0.0224 1.3372 ( 8590 PWs) bands (ev): -19.8424 -19.8424 -19.8419 -19.8419 -19.2083 -19.2083 -19.2083 -19.2083 -9.9117 -9.9117 -6.5381 -6.5381 -6.5377 -6.5377 -6.2686 -6.2686 -5.4750 -5.4750 -4.7380 -4.7380 -4.5991 -4.5991 -4.5181 -4.5181 -4.4904 -4.4904 -4.2800 -4.2800 -3.6322 -3.6322 -3.3460 -3.3460 -3.1565 -3.1565 0.1176 0.1176 0.4578 0.4578 4.4384 4.4384 4.4430 4.4430 4.6767 4.6767 6.4253 6.4253 6.6582 6.6582 6.8755 6.8755 7.1292 7.1292 7.3813 7.3813 7.4868 7.4868 9.1172 9.1172 9.4701 9.4701 10.5199 10.5199 10.5889 10.5889 10.6108 10.6108 11.4721 11.4721 k = 0.0833 0.0336 1.3372 ( 8590 PWs) bands (ev): -19.8424 -19.8424 -19.8419 -19.8419 -19.2083 -19.2083 -19.2083 -19.2083 -9.9117 -9.9117 -6.5381 -6.5381 -6.5377 -6.5377 -6.2686 -6.2686 -5.4750 -5.4750 -4.7382 -4.7382 -4.5969 -4.5969 -4.5252 -4.5252 -4.4851 -4.4851 -4.2802 -4.2802 -3.6322 -3.6322 -3.3460 -3.3460 -3.1565 -3.1565 0.1180 0.1180 0.4573 0.4573 4.4384 4.4384 4.4430 4.4430 4.6780 4.6780 6.4248 6.4248 6.6561 6.6561 6.8670 6.8670 7.1329 7.1329 7.3843 7.3843 7.4910 7.4910 9.1298 9.1298 9.4546 9.4546 10.5215 10.5215 10.5916 10.5916 10.6105 10.6105 11.4537 11.4537 k = 0.1111 0.0448 1.3372 ( 8590 PWs) bands (ev): -19.8424 -19.8424 -19.8419 -19.8419 -19.2083 -19.2083 -19.2083 -19.2083 -9.9117 -9.9117 -6.5381 -6.5381 -6.5377 -6.5377 -6.2686 -6.2686 -5.4750 -5.4750 -4.7384 -4.7384 -4.5938 -4.5938 -4.5326 -4.5326 -4.4803 -4.4803 -4.2805 -4.2805 -3.6322 -3.6322 -3.3460 -3.3460 -3.1565 -3.1565 0.1186 0.1186 0.4566 0.4566 4.4384 4.4384 4.4430 4.4430 4.6796 4.6796 6.4241 6.4241 6.6535 6.6535 6.8572 6.8572 7.1370 7.1370 7.3875 7.3875 7.4964 7.4964 9.1470 9.1470 9.4339 9.4339 10.5234 10.5234 10.5949 10.5949 10.6103 10.6103 11.4323 11.4323 k = 0.1389 0.0560 1.3372 ( 8584 PWs) bands (ev): -19.8424 -19.8424 -19.8419 -19.8419 -19.2083 -19.2083 -19.2083 -19.2083 -9.9117 -9.9117 -6.5381 -6.5381 -6.5376 -6.5376 -6.2686 -6.2686 -5.4750 -5.4750 -4.7386 -4.7386 -4.5900 -4.5900 -4.5399 -4.5399 -4.4763 -4.4763 -4.2807 -4.2807 -3.6322 -3.6322 -3.3460 -3.3460 -3.1565 -3.1565 0.1191 0.1191 0.4559 0.4559 4.4384 4.4384 4.4430 4.4430 4.6813 4.6813 6.4234 6.4234 6.6507 6.6507 6.8475 6.8475 7.1407 7.1407 7.3906 7.3906 7.5025 7.5025 9.1684 9.1684 9.4089 9.4089 10.5254 10.5254 10.5985 10.5985 10.6100 10.6100 11.4107 11.4107 k = 0.1667 0.0672 1.3372 ( 8582 PWs) bands (ev): -19.8424 -19.8424 -19.8419 -19.8419 -19.2083 -19.2083 -19.2083 -19.2083 -9.9117 -9.9117 -6.5381 -6.5381 -6.5376 -6.5376 -6.2686 -6.2686 -5.4750 -5.4750 -4.7388 -4.7388 -4.5855 -4.5855 -4.5473 -4.5473 -4.4730 -4.4730 -4.2810 -4.2810 -3.6322 -3.6322 -3.3460 -3.3460 -3.1565 -3.1565 0.1197 0.1197 0.4552 0.4552 4.4384 4.4384 4.4430 4.4430 4.6829 4.6829 6.4226 6.4226 6.6481 6.6481 6.8390 6.8390 7.1438 7.1438 7.3930 7.3930 7.5085 7.5085 9.1934 9.1934 9.3805 9.3805 10.5273 10.5273 10.6021 10.6021 10.6097 10.6097 11.3913 11.3913 k = 0.1944 0.0784 1.3372 ( 8582 PWs) bands (ev): -19.8424 -19.8424 -19.8419 -19.8419 -19.2083 -19.2083 -19.2083 -19.2083 -9.9117 -9.9117 -6.5382 -6.5382 -6.5376 -6.5376 -6.2686 -6.2686 -5.4750 -5.4750 -4.7390 -4.7390 -4.5804 -4.5804 -4.5544 -4.5544 -4.4706 -4.4706 -4.2812 -4.2812 -3.6322 -3.6322 -3.3460 -3.3460 -3.1565 -3.1565 0.1201 0.1201 0.4547 0.4547 4.4384 4.4384 4.4430 4.4430 4.6842 4.6842 6.4219 6.4219 6.6459 6.6459 6.8324 6.8324 7.1461 7.1461 7.3948 7.3948 7.5136 7.5136 9.2214 9.2214 9.3498 9.3498 10.5288 10.5288 10.6051 10.6051 10.6095 10.6095 11.3761 11.3761 k = 0.2222 0.0896 1.3372 ( 8574 PWs) bands (ev): -19.8424 -19.8424 -19.8419 -19.8419 -19.2083 -19.2083 -19.2083 -19.2083 -9.9117 -9.9117 -6.5382 -6.5382 -6.5376 -6.5376 -6.2686 -6.2686 -5.4750 -5.4750 -4.7391 -4.7391 -4.5748 -4.5748 -4.5611 -4.5611 -4.4692 -4.4692 -4.2814 -4.2814 -3.6322 -3.6322 -3.3460 -3.3460 -3.1565 -3.1565 0.1204 0.1204 0.4543 0.4543 4.4384 4.4384 4.4430 4.4430 4.6850 4.6850 6.4214 6.4214 6.6445 6.6445 6.8283 6.8283 7.1475 7.1475 7.3959 7.3959 7.5169 7.5169 9.2512 9.2512 9.3181 9.3181 10.5298 10.5298 10.6071 10.6071 10.6092 10.6092 11.3664 11.3664 k = 0.2500 0.1008 1.3372 ( 8568 PWs) bands (ev): -19.8424 -19.8424 -19.8419 -19.8419 -19.2083 -19.2083 -19.2083 -19.2083 -9.9117 -9.9117 -6.5382 -6.5382 -6.5376 -6.5376 -6.2686 -6.2686 -5.4750 -5.4750 -4.7391 -4.7391 -4.5706 -4.5706 -4.5657 -4.5657 -4.4687 -4.4687 -4.2814 -4.2814 -3.6322 -3.6322 -3.3460 -3.3460 -3.1565 -3.1565 0.1205 0.1205 0.4542 0.4542 4.4384 4.4384 4.4430 4.4430 4.6853 4.6853 6.4213 6.4213 6.6440 6.6440 6.8269 6.8269 7.1480 7.1480 7.3963 7.3963 7.5181 7.5181 9.2752 9.2752 9.2935 9.2935 10.5301 10.5301 10.6079 10.6079 10.6091 10.6091 11.3631 11.3631 Writing output data file Ba4Sb2O.save init_run : 0.77s CPU 1.05s WALL ( 1 calls) electrons : 638.69s CPU 644.52s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.09s CPU 0.25s WALL ( 1 calls) Called by electrons: c_bands : 638.69s CPU 644.51s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.02s WALL ( 1 calls) newd : 0.11s CPU 0.14s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.08s WALL ( 269 calls) cegterg : 602.17s CPU 607.01s WALL ( 587 calls) Called by sum_band: Called by *egterg: h_psi : 455.18s CPU 460.16s WALL ( 10001 calls) s_psi : 11.86s CPU 12.18s WALL ( 10001 calls) g_psi : 0.32s CPU 0.33s WALL ( 9145 calls) cdiaghg : 131.25s CPU 131.55s WALL ( 9414 calls) cegterg:over : 15.14s CPU 15.06s WALL ( 9145 calls) cegterg:upda : 10.62s CPU 10.58s WALL ( 9145 calls) cegterg:last : 5.99s CPU 5.87s WALL ( 1394 calls) cdiaghg:chol : 5.73s CPU 5.64s WALL ( 9414 calls) cdiaghg:inve : 3.72s CPU 3.67s WALL ( 9414 calls) cdiaghg:para : 7.67s CPU 7.54s WALL ( 18828 calls) Called by h_psi: h_psi:vloc : 427.90s CPU 432.98s WALL ( 10001 calls) h_psi:vnl : 26.88s CPU 26.82s WALL ( 10001 calls) add_vuspsi : 14.28s CPU 14.16s WALL ( 10001 calls) General routines calbec : 12.58s CPU 12.62s WALL ( 10001 calls) fft : 0.03s CPU 0.03s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 405.30s CPU 409.94s WALL ( 1058992 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.18s CPU 0.26s WALL ( 538 calls) Parallel routines fft_scatter : 183.62s CPU 186.32s WALL ( 1059015 calls) PWSCF : 11m18.14s CPU 11m48.93s WALL This run was terminated on: 23: 8:15 30Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=