Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 0: 4:59 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: ./RbBeH3.save/ file Be.rel-pbe-s-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P renormalized file Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 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 148 55 14 15755 3553 501 Max 149 56 15 15761 3593 511 Sum 10667 3971 1079 1134615 257375 36567 bravais-lattice index = 14 lattice parameter (alat) = 10.9413 a.u. unit-cell volume = 2613.7247 (a.u.)^3 number of atoms/cell = 20 number of atomic types = 3 number of electrons = 64.00 number of Kohn-Sham states= 76 kinetic-energy cutoff = 81.0000 Ry charge density cutoff = 871.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.941325 celldm(2)= 1.284824 celldm(3)= 1.633517 celldm(4)= 0.309847 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.284824 0.000000 ) a(3) = ( 0.000000 0.506140 1.553126 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.778317 -0.253642 ) b(3) = ( 0.000000 0.000000 0.643863 ) PseudoPot. # 1 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Be read from file: /users/gautes/Pseudo/Be.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 56f92c253d4d86db330921f37562b9e7 Pseudo is Ultrasoft, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1041 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 Rb read from file: /users/gautes/Pseudo/Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 948b8f0a9070089a35782939cf30e963 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1219 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 H 1.00 1.00790 H( 1.00) Be 4.00 9.01220 Be( 1.00) Rb 9.00 85.46780 Rb( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) 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 [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.2530700 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.7765629 ) 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 [1,0,0] cryst. s( 4) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.2530700 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.7765629 ) 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 [1,0,0] -C2 -2 180 deg rotation - cart. axis [1,0,0] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [1,0,0] -s_h -4 inv. 180 deg rotation - cart. axis [1,0,0] E Cartesian axes number of k points= 207 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0048309 k( 2) = ( 0.0000000 0.0000000 0.0178851), wk = 0.0048309 k( 3) = ( 0.0000000 0.0000000 0.0357702), wk = 0.0048309 k( 4) = ( 0.0000000 0.0000000 0.0536552), wk = 0.0048309 k( 5) = ( 0.0000000 0.0000000 0.0715403), wk = 0.0048309 k( 6) = ( 0.0000000 0.0000000 0.0894254), wk = 0.0048309 k( 7) = ( 0.0000000 0.0000000 0.1073105), wk = 0.0048309 k( 8) = ( 0.0000000 0.0000000 0.1251955), wk = 0.0048309 k( 9) = ( 0.0000000 0.0000000 0.1430806), wk = 0.0048309 k( 10) = ( 0.0000000 0.0000000 0.1609657), wk = 0.0048309 k( 11) = ( 0.0000000 0.0000000 0.1788508), wk = 0.0048309 k( 12) = ( 0.0000000 0.0000000 0.1967359), wk = 0.0048309 k( 13) = ( 0.0000000 0.0000000 0.2146209), wk = 0.0048309 k( 14) = ( 0.0000000 0.0000000 0.2325060), wk = 0.0048309 k( 15) = ( 0.0000000 0.0000000 0.2503911), wk = 0.0048309 k( 16) = ( 0.0000000 0.0000000 0.2682762), wk = 0.0048309 k( 17) = ( 0.0000000 0.0000000 0.2861612), wk = 0.0048309 k( 18) = ( 0.0000000 0.0000000 0.3040463), wk = 0.0048309 k( 19) = ( 0.0000000 0.0000000 0.3219314), wk = 0.0048309 k( 20) = ( 0.0000000 0.0000000 0.3219314), wk = 0.0048309 k( 21) = ( 0.0000000 0.0180875 0.3219314), wk = 0.0048309 k( 22) = ( 0.0000000 0.0361750 0.3219314), wk = 0.0048309 k( 23) = ( 0.0000000 0.0542625 0.3219314), wk = 0.0048309 k( 24) = ( 0.0000000 0.0723500 0.3219314), wk = 0.0048309 k( 25) = ( 0.0000000 0.0904375 0.3219314), wk = 0.0048309 k( 26) = ( 0.0000000 0.1085250 0.3219314), wk = 0.0048309 k( 27) = ( 0.0000000 0.1266125 0.3219314), wk = 0.0048309 k( 28) = ( 0.0000000 0.1447000 0.3219314), wk = 0.0048309 k( 29) = ( 0.0000000 0.1627875 0.3219314), wk = 0.0048309 k( 30) = ( 0.0000000 0.1808750 0.3219314), wk = 0.0048309 k( 31) = ( 0.0000000 0.1989625 0.3219314), wk = 0.0048309 k( 32) = ( 0.0000000 0.2170499 0.3219314), wk = 0.0048309 k( 33) = ( 0.0000000 0.2351374 0.3219314), wk = 0.0048309 k( 34) = ( 0.0000000 0.2532249 0.3219314), wk = 0.0048309 k( 35) = ( 0.0000000 0.2713124 0.3219314), wk = 0.0048309 k( 36) = ( 0.0000000 0.2893999 0.3219314), wk = 0.0048309 k( 37) = ( 0.0000000 0.3074874 0.3219314), wk = 0.0048309 k( 38) = ( 0.0000000 0.3255749 0.3219314), wk = 0.0048309 k( 39) = ( 0.0000000 0.3255749 0.3219314), wk = 0.0048309 k( 40) = ( 0.0000000 0.3335229 0.3060788), wk = 0.0048309 k( 41) = ( 0.0000000 0.3414708 0.2902262), wk = 0.0048309 k( 42) = ( 0.0000000 0.3494188 0.2743736), wk = 0.0048309 k( 43) = ( 0.0000000 0.3573667 0.2585210), wk = 0.0048309 k( 44) = ( 0.0000000 0.3653147 0.2426684), wk = 0.0048309 k( 45) = ( 0.0000000 0.3732626 0.2268158), wk = 0.0048309 k( 46) = ( 0.0000000 0.3812105 0.2109632), wk = 0.0048309 k( 47) = ( 0.0000000 0.3891585 0.1951106), wk = 0.0048309 k( 48) = ( 0.0000000 0.3891585 0.1951106), wk = 0.0048309 k( 49) = ( 0.0178571 0.3891585 0.1951106), wk = 0.0048309 k( 50) = ( 0.0357143 0.3891585 0.1951106), wk = 0.0048309 k( 51) = ( 0.0535714 0.3891585 0.1951106), wk = 0.0048309 k( 52) = ( 0.0714286 0.3891585 0.1951106), wk = 0.0048309 k( 53) = ( 0.0892857 0.3891585 0.1951106), wk = 0.0048309 k( 54) = ( 0.1071429 0.3891585 0.1951106), wk = 0.0048309 k( 55) = ( 0.1250000 0.3891585 0.1951106), wk = 0.0048309 k( 56) = ( 0.1428571 0.3891585 0.1951106), wk = 0.0048309 k( 57) = ( 0.1607143 0.3891585 0.1951106), wk = 0.0048309 k( 58) = ( 0.1785714 0.3891585 0.1951106), wk = 0.0048309 k( 59) = ( 0.1964286 0.3891585 0.1951106), wk = 0.0048309 k( 60) = ( 0.2142857 0.3891585 0.1951106), wk = 0.0048309 k( 61) = ( 0.2321429 0.3891585 0.1951106), wk = 0.0048309 k( 62) = ( 0.2500000 0.3891585 0.1951106), wk = 0.0048309 k( 63) = ( 0.2678571 0.3891585 0.1951106), wk = 0.0048309 k( 64) = ( 0.2857143 0.3891585 0.1951106), wk = 0.0048309 k( 65) = ( 0.3035714 0.3891585 0.1951106), wk = 0.0048309 k( 66) = ( 0.3214286 0.3891585 0.1951106), wk = 0.0048309 k( 67) = ( 0.3392857 0.3891585 0.1951106), wk = 0.0048309 k( 68) = ( 0.3571429 0.3891585 0.1951106), wk = 0.0048309 k( 69) = ( 0.3750000 0.3891585 0.1951106), wk = 0.0048309 k( 70) = ( 0.3928571 0.3891585 0.1951106), wk = 0.0048309 k( 71) = ( 0.4107143 0.3891585 0.1951106), wk = 0.0048309 k( 72) = ( 0.4285714 0.3891585 0.1951106), wk = 0.0048309 k( 73) = ( 0.4464286 0.3891585 0.1951106), wk = 0.0048309 k( 74) = ( 0.4642857 0.3891585 0.1951106), wk = 0.0048309 k( 75) = ( 0.4821429 0.3891585 0.1951106), wk = 0.0048309 k( 76) = ( 0.5000000 0.3891585 0.1951106), wk = 0.0048309 k( 77) = ( 0.5000000 0.3891585 0.1951106), wk = 0.0048309 k( 78) = ( 0.5000000 0.3971064 0.1792580), wk = 0.0048309 k( 79) = ( 0.5000000 0.4050544 0.1634054), wk = 0.0048309 k( 80) = ( 0.5000000 0.4130023 0.1475528), wk = 0.0048309 k( 81) = ( 0.5000000 0.4209503 0.1317002), wk = 0.0048309 k( 82) = ( 0.5000000 0.4288982 0.1158476), wk = 0.0048309 k( 83) = ( 0.5000000 0.4368462 0.0999950), wk = 0.0048309 k( 84) = ( 0.5000000 0.4447941 0.0841424), wk = 0.0048309 k( 85) = ( 0.5000000 0.4527421 0.0682898), wk = 0.0048309 k( 86) = ( 0.5000000 0.4527421 0.0682898), wk = 0.0048309 k( 87) = ( 0.5000000 0.4474434 0.0520305), wk = 0.0048309 k( 88) = ( 0.5000000 0.4421448 0.0357713), wk = 0.0048309 k( 89) = ( 0.5000000 0.4368462 0.0195121), wk = 0.0048309 k( 90) = ( 0.5000000 0.4315475 0.0032529), wk = 0.0048309 k( 91) = ( 0.5000000 0.4262489 -0.0130063), wk = 0.0048309 k( 92) = ( 0.5000000 0.4209503 -0.0292655), wk = 0.0048309 k( 93) = ( 0.5000000 0.4156516 -0.0455247), wk = 0.0048309 k( 94) = ( 0.5000000 0.4103530 -0.0617840), wk = 0.0048309 k( 95) = ( 0.5000000 0.4050544 -0.0780432), wk = 0.0048309 k( 96) = ( 0.5000000 0.3997557 -0.0943024), wk = 0.0048309 k( 97) = ( 0.5000000 0.3944571 -0.1105616), wk = 0.0048309 k( 98) = ( 0.5000000 0.3891585 -0.1268208), wk = 0.0048309 k( 99) = ( 0.5000000 0.3891585 -0.1268208), wk = 0.0048309 k( 100) = ( 0.4821429 0.3891585 -0.1268208), wk = 0.0048309 k( 101) = ( 0.4642857 0.3891585 -0.1268208), wk = 0.0048309 k( 102) = ( 0.4464286 0.3891585 -0.1268208), wk = 0.0048309 k( 103) = ( 0.4285714 0.3891585 -0.1268208), wk = 0.0048309 k( 104) = ( 0.4107143 0.3891585 -0.1268208), wk = 0.0048309 k( 105) = ( 0.3928571 0.3891585 -0.1268208), wk = 0.0048309 k( 106) = ( 0.3750000 0.3891585 -0.1268208), wk = 0.0048309 k( 107) = ( 0.3571429 0.3891585 -0.1268208), wk = 0.0048309 k( 108) = ( 0.3392857 0.3891585 -0.1268208), wk = 0.0048309 k( 109) = ( 0.3214286 0.3891585 -0.1268208), wk = 0.0048309 k( 110) = ( 0.3035714 0.3891585 -0.1268208), wk = 0.0048309 k( 111) = ( 0.2857143 0.3891585 -0.1268208), wk = 0.0048309 k( 112) = ( 0.2678571 0.3891585 -0.1268208), wk = 0.0048309 k( 113) = ( 0.2500000 0.3891585 -0.1268208), wk = 0.0048309 k( 114) = ( 0.2321429 0.3891585 -0.1268208), wk = 0.0048309 k( 115) = ( 0.2142857 0.3891585 -0.1268208), wk = 0.0048309 k( 116) = ( 0.1964286 0.3891585 -0.1268208), wk = 0.0048309 k( 117) = ( 0.1785714 0.3891585 -0.1268208), wk = 0.0048309 k( 118) = ( 0.1607143 0.3891585 -0.1268208), wk = 0.0048309 k( 119) = ( 0.1428571 0.3891585 -0.1268208), wk = 0.0048309 k( 120) = ( 0.1250000 0.3891585 -0.1268208), wk = 0.0048309 k( 121) = ( 0.1071429 0.3891585 -0.1268208), wk = 0.0048309 k( 122) = ( 0.0892857 0.3891585 -0.1268208), wk = 0.0048309 k( 123) = ( 0.0714286 0.3891585 -0.1268208), wk = 0.0048309 k( 124) = ( 0.0535714 0.3891585 -0.1268208), wk = 0.0048309 k( 125) = ( 0.0357143 0.3891585 -0.1268208), wk = 0.0048309 k( 126) = ( 0.0178571 0.3891585 -0.1268208), wk = 0.0048309 k( 127) = ( 0.0000000 0.3891585 -0.1268208), wk = 0.0048309 k( 128) = ( 0.0000000 0.3891585 -0.1268208), wk = 0.0048309 k( 129) = ( 0.0000000 0.3944571 -0.1105616), wk = 0.0048309 k( 130) = ( 0.0000000 0.3997557 -0.0943024), wk = 0.0048309 k( 131) = ( 0.0000000 0.4050544 -0.0780432), wk = 0.0048309 k( 132) = ( 0.0000000 0.4103530 -0.0617840), wk = 0.0048309 k( 133) = ( 0.0000000 0.4156516 -0.0455247), wk = 0.0048309 k( 134) = ( 0.0000000 0.4209503 -0.0292655), wk = 0.0048309 k( 135) = ( 0.0000000 0.4262489 -0.0130063), wk = 0.0048309 k( 136) = ( 0.0000000 0.4315475 0.0032529), wk = 0.0048309 k( 137) = ( 0.0000000 0.4368462 0.0195121), wk = 0.0048309 k( 138) = ( 0.0000000 0.4421448 0.0357713), wk = 0.0048309 k( 139) = ( 0.0000000 0.4474434 0.0520305), wk = 0.0048309 k( 140) = ( 0.0000000 0.4527421 0.0682898), wk = 0.0048309 k( 141) = ( 0.5000000 0.3255749 0.3219314), wk = 0.0048309 k( 142) = ( 0.5000000 0.3074874 0.3219314), wk = 0.0048309 k( 143) = ( 0.5000000 0.2893999 0.3219314), wk = 0.0048309 k( 144) = ( 0.5000000 0.2713124 0.3219314), wk = 0.0048309 k( 145) = ( 0.5000000 0.2532249 0.3219314), wk = 0.0048309 k( 146) = ( 0.5000000 0.2351374 0.3219314), wk = 0.0048309 k( 147) = ( 0.5000000 0.2170499 0.3219314), wk = 0.0048309 k( 148) = ( 0.5000000 0.1989625 0.3219314), wk = 0.0048309 k( 149) = ( 0.5000000 0.1808750 0.3219314), wk = 0.0048309 k( 150) = ( 0.5000000 0.1627875 0.3219314), wk = 0.0048309 k( 151) = ( 0.5000000 0.1447000 0.3219314), wk = 0.0048309 k( 152) = ( 0.5000000 0.1266125 0.3219314), wk = 0.0048309 k( 153) = ( 0.5000000 0.1085250 0.3219314), wk = 0.0048309 k( 154) = ( 0.5000000 0.0904375 0.3219314), wk = 0.0048309 k( 155) = ( 0.5000000 0.0723500 0.3219314), wk = 0.0048309 k( 156) = ( 0.5000000 0.0542625 0.3219314), wk = 0.0048309 k( 157) = ( 0.5000000 0.0361750 0.3219314), wk = 0.0048309 k( 158) = ( 0.5000000 0.0180875 0.3219314), wk = 0.0048309 k( 159) = ( 0.5000000 -0.0000000 0.3219314), wk = 0.0048309 k( 160) = ( 0.5000000 -0.0000000 0.3219314), wk = 0.0048309 k( 161) = ( 0.5000000 -0.0000000 0.3040463), wk = 0.0048309 k( 162) = ( 0.5000000 -0.0000000 0.2861612), wk = 0.0048309 k( 163) = ( 0.5000000 -0.0000000 0.2682762), wk = 0.0048309 k( 164) = ( 0.5000000 -0.0000000 0.2503911), wk = 0.0048309 k( 165) = ( 0.5000000 -0.0000000 0.2325060), wk = 0.0048309 k( 166) = ( 0.5000000 -0.0000000 0.2146209), wk = 0.0048309 k( 167) = ( 0.5000000 -0.0000000 0.1967359), wk = 0.0048309 k( 168) = ( 0.5000000 -0.0000000 0.1788508), wk = 0.0048309 k( 169) = ( 0.5000000 -0.0000000 0.1609657), wk = 0.0048309 k( 170) = ( 0.5000000 -0.0000000 0.1430806), wk = 0.0048309 k( 171) = ( 0.5000000 -0.0000000 0.1251955), wk = 0.0048309 k( 172) = ( 0.5000000 -0.0000000 0.1073105), wk = 0.0048309 k( 173) = ( 0.5000000 -0.0000000 0.0894254), wk = 0.0048309 k( 174) = ( 0.5000000 -0.0000000 0.0715403), wk = 0.0048309 k( 175) = ( 0.5000000 -0.0000000 0.0536552), wk = 0.0048309 k( 176) = ( 0.5000000 -0.0000000 0.0357702), wk = 0.0048309 k( 177) = ( 0.5000000 -0.0000000 0.0178851), wk = 0.0048309 k( 178) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0048309 k( 179) = ( 0.0000000 0.0000000 0.3219314), wk = 0.0048309 k( 180) = ( 0.0178571 -0.0000000 0.3219314), wk = 0.0048309 k( 181) = ( 0.0357143 -0.0000000 0.3219314), wk = 0.0048309 k( 182) = ( 0.0535714 -0.0000000 0.3219314), wk = 0.0048309 k( 183) = ( 0.0714286 -0.0000000 0.3219314), wk = 0.0048309 k( 184) = ( 0.0892857 -0.0000000 0.3219314), wk = 0.0048309 k( 185) = ( 0.1071429 -0.0000000 0.3219314), wk = 0.0048309 k( 186) = ( 0.1250000 -0.0000000 0.3219314), wk = 0.0048309 k( 187) = ( 0.1428571 -0.0000000 0.3219314), wk = 0.0048309 k( 188) = ( 0.1607143 -0.0000000 0.3219314), wk = 0.0048309 k( 189) = ( 0.1785714 -0.0000000 0.3219314), wk = 0.0048309 k( 190) = ( 0.1964286 -0.0000000 0.3219314), wk = 0.0048309 k( 191) = ( 0.2142857 -0.0000000 0.3219314), wk = 0.0048309 k( 192) = ( 0.2321429 -0.0000000 0.3219314), wk = 0.0048309 k( 193) = ( 0.2500000 -0.0000000 0.3219314), wk = 0.0048309 k( 194) = ( 0.2678571 -0.0000000 0.3219314), wk = 0.0048309 k( 195) = ( 0.2857143 -0.0000000 0.3219314), wk = 0.0048309 k( 196) = ( 0.3035714 -0.0000000 0.3219314), wk = 0.0048309 k( 197) = ( 0.3214286 -0.0000000 0.3219314), wk = 0.0048309 k( 198) = ( 0.3392857 -0.0000000 0.3219314), wk = 0.0048309 k( 199) = ( 0.3571429 -0.0000000 0.3219314), wk = 0.0048309 k( 200) = ( 0.3750000 -0.0000000 0.3219314), wk = 0.0048309 k( 201) = ( 0.3928571 -0.0000000 0.3219314), wk = 0.0048309 k( 202) = ( 0.4107143 -0.0000000 0.3219314), wk = 0.0048309 k( 203) = ( 0.4285714 -0.0000000 0.3219314), wk = 0.0048309 k( 204) = ( 0.4464286 -0.0000000 0.3219314), wk = 0.0048309 k( 205) = ( 0.4642857 -0.0000000 0.3219314), wk = 0.0048309 k( 206) = ( 0.4821429 -0.0000000 0.3219314), wk = 0.0048309 k( 207) = ( 0.5000000 -0.0000000 0.3219314), wk = 0.0048309 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0048309 k( 2) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0048309 k( 3) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0048309 k( 4) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0048309 k( 5) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0048309 k( 6) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0048309 k( 7) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0048309 k( 8) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0048309 k( 9) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0048309 k( 10) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0048309 k( 11) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0048309 k( 12) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0048309 k( 13) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0048309 k( 14) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0048309 k( 15) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0048309 k( 16) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0048309 k( 17) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0048309 k( 18) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0048309 k( 19) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0048309 k( 20) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0048309 k( 21) = ( 0.0000000 0.0232392 0.5091548), wk = 0.0048309 k( 22) = ( 0.0000000 0.0464785 0.5183096), wk = 0.0048309 k( 23) = ( 0.0000000 0.0697177 0.5274644), wk = 0.0048309 k( 24) = ( 0.0000000 0.0929570 0.5366192), wk = 0.0048309 k( 25) = ( 0.0000000 0.1161962 0.5457740), wk = 0.0048309 k( 26) = ( 0.0000000 0.1394354 0.5549288), wk = 0.0048309 k( 27) = ( 0.0000000 0.1626747 0.5640836), wk = 0.0048309 k( 28) = ( 0.0000000 0.1859139 0.5732384), wk = 0.0048309 k( 29) = ( 0.0000000 0.2091532 0.5823933), wk = 0.0048309 k( 30) = ( 0.0000000 0.2323924 0.5915481), wk = 0.0048309 k( 31) = ( 0.0000000 0.2556316 0.6007029), wk = 0.0048309 k( 32) = ( 0.0000000 0.2788709 0.6098577), wk = 0.0048309 k( 33) = ( 0.0000000 0.3021101 0.6190125), wk = 0.0048309 k( 34) = ( 0.0000000 0.3253494 0.6281673), wk = 0.0048309 k( 35) = ( 0.0000000 0.3485886 0.6373221), wk = 0.0048309 k( 36) = ( 0.0000000 0.3718279 0.6464769), wk = 0.0048309 k( 37) = ( 0.0000000 0.3950671 0.6556317), wk = 0.0048309 k( 38) = ( 0.0000000 0.4183063 0.6647865), wk = 0.0048309 k( 39) = ( 0.0000000 0.4183063 0.6647865), wk = 0.0048309 k( 40) = ( 0.0000000 0.4285180 0.6441882), wk = 0.0048309 k( 41) = ( 0.0000000 0.4387297 0.6235899), wk = 0.0048309 k( 42) = ( 0.0000000 0.4489415 0.6029916), wk = 0.0048309 k( 43) = ( 0.0000000 0.4591532 0.5823933), wk = 0.0048309 k( 44) = ( 0.0000000 0.4693649 0.5617949), wk = 0.0048309 k( 45) = ( 0.0000000 0.4795766 0.5411966), wk = 0.0048309 k( 46) = ( 0.0000000 0.4897883 0.5205983), wk = 0.0048309 k( 47) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0048309 k( 48) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0048309 k( 49) = ( 0.0178571 0.5000000 0.5000000), wk = 0.0048309 k( 50) = ( 0.0357143 0.5000000 0.5000000), wk = 0.0048309 k( 51) = ( 0.0535714 0.5000000 0.5000000), wk = 0.0048309 k( 52) = ( 0.0714286 0.5000000 0.5000000), wk = 0.0048309 k( 53) = ( 0.0892857 0.5000000 0.5000000), wk = 0.0048309 k( 54) = ( 0.1071429 0.5000000 0.5000000), wk = 0.0048309 k( 55) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0048309 k( 56) = ( 0.1428571 0.5000000 0.5000000), wk = 0.0048309 k( 57) = ( 0.1607143 0.5000000 0.5000000), wk = 0.0048309 k( 58) = ( 0.1785714 0.5000000 0.5000000), wk = 0.0048309 k( 59) = ( 0.1964286 0.5000000 0.5000000), wk = 0.0048309 k( 60) = ( 0.2142857 0.5000000 0.5000000), wk = 0.0048309 k( 61) = ( 0.2321429 0.5000000 0.5000000), wk = 0.0048309 k( 62) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0048309 k( 63) = ( 0.2678571 0.5000000 0.5000000), wk = 0.0048309 k( 64) = ( 0.2857143 0.5000000 0.5000000), wk = 0.0048309 k( 65) = ( 0.3035714 0.5000000 0.5000000), wk = 0.0048309 k( 66) = ( 0.3214286 0.5000000 0.5000000), wk = 0.0048309 k( 67) = ( 0.3392857 0.5000000 0.5000000), wk = 0.0048309 k( 68) = ( 0.3571429 0.5000000 0.5000000), wk = 0.0048309 k( 69) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0048309 k( 70) = ( 0.3928571 0.5000000 0.5000000), wk = 0.0048309 k( 71) = ( 0.4107143 0.5000000 0.5000000), wk = 0.0048309 k( 72) = ( 0.4285714 0.5000000 0.5000000), wk = 0.0048309 k( 73) = ( 0.4464286 0.5000000 0.5000000), wk = 0.0048309 k( 74) = ( 0.4642857 0.5000000 0.5000000), wk = 0.0048309 k( 75) = ( 0.4821429 0.5000000 0.5000000), wk = 0.0048309 k( 76) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0048309 k( 77) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0048309 k( 78) = ( 0.5000000 0.5102117 0.4794017), wk = 0.0048309 k( 79) = ( 0.5000000 0.5204234 0.4588034), wk = 0.0048309 k( 80) = ( 0.5000000 0.5306351 0.4382051), wk = 0.0048309 k( 81) = ( 0.5000000 0.5408468 0.4176067), wk = 0.0048309 k( 82) = ( 0.5000000 0.5510585 0.3970084), wk = 0.0048309 k( 83) = ( 0.5000000 0.5612702 0.3764101), wk = 0.0048309 k( 84) = ( 0.5000000 0.5714820 0.3558118), wk = 0.0048309 k( 85) = ( 0.5000000 0.5816937 0.3352135), wk = 0.0048309 k( 86) = ( 0.5000000 0.5816937 0.3352135), wk = 0.0048309 k( 87) = ( 0.5000000 0.5748859 0.3072790), wk = 0.0048309 k( 88) = ( 0.5000000 0.5680781 0.2793446), wk = 0.0048309 k( 89) = ( 0.5000000 0.5612702 0.2514101), wk = 0.0048309 k( 90) = ( 0.5000000 0.5544624 0.2234757), wk = 0.0048309 k( 91) = ( 0.5000000 0.5476546 0.1955412), wk = 0.0048309 k( 92) = ( 0.5000000 0.5408468 0.1676067), wk = 0.0048309 k( 93) = ( 0.5000000 0.5340390 0.1396723), wk = 0.0048309 k( 94) = ( 0.5000000 0.5272312 0.1117378), wk = 0.0048309 k( 95) = ( 0.5000000 0.5204234 0.0838034), wk = 0.0048309 k( 96) = ( 0.5000000 0.5136156 0.0558689), wk = 0.0048309 k( 97) = ( 0.5000000 0.5068078 0.0279345), wk = 0.0048309 k( 98) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0048309 k( 99) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0048309 k( 100) = ( 0.4821429 0.5000000 0.0000000), wk = 0.0048309 k( 101) = ( 0.4642857 0.5000000 0.0000000), wk = 0.0048309 k( 102) = ( 0.4464286 0.5000000 0.0000000), wk = 0.0048309 k( 103) = ( 0.4285714 0.5000000 0.0000000), wk = 0.0048309 k( 104) = ( 0.4107143 0.5000000 -0.0000000), wk = 0.0048309 k( 105) = ( 0.3928571 0.5000000 -0.0000000), wk = 0.0048309 k( 106) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0048309 k( 107) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0048309 k( 108) = ( 0.3392857 0.5000000 -0.0000000), wk = 0.0048309 k( 109) = ( 0.3214286 0.5000000 -0.0000000), wk = 0.0048309 k( 110) = ( 0.3035714 0.5000000 -0.0000000), wk = 0.0048309 k( 111) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0048309 k( 112) = ( 0.2678571 0.5000000 0.0000000), wk = 0.0048309 k( 113) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0048309 k( 114) = ( 0.2321429 0.5000000 -0.0000000), wk = 0.0048309 k( 115) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0048309 k( 116) = ( 0.1964286 0.5000000 -0.0000000), wk = 0.0048309 k( 117) = ( 0.1785714 0.5000000 0.0000000), wk = 0.0048309 k( 118) = ( 0.1607143 0.5000000 0.0000000), wk = 0.0048309 k( 119) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0048309 k( 120) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0048309 k( 121) = ( 0.1071429 0.5000000 0.0000000), wk = 0.0048309 k( 122) = ( 0.0892857 0.5000000 0.0000000), wk = 0.0048309 k( 123) = ( 0.0714286 0.5000000 0.0000000), wk = 0.0048309 k( 124) = ( 0.0535714 0.5000000 0.0000000), wk = 0.0048309 k( 125) = ( 0.0357143 0.5000000 0.0000000), wk = 0.0048309 k( 126) = ( 0.0178571 0.5000000 0.0000000), wk = 0.0048309 k( 127) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0048309 k( 128) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0048309 k( 129) = ( 0.0000000 0.5068078 0.0279345), wk = 0.0048309 k( 130) = ( 0.0000000 0.5136156 0.0558689), wk = 0.0048309 k( 131) = ( 0.0000000 0.5204234 0.0838034), wk = 0.0048309 k( 132) = ( 0.0000000 0.5272312 0.1117378), wk = 0.0048309 k( 133) = ( 0.0000000 0.5340390 0.1396723), wk = 0.0048309 k( 134) = ( 0.0000000 0.5408468 0.1676067), wk = 0.0048309 k( 135) = ( 0.0000000 0.5476546 0.1955412), wk = 0.0048309 k( 136) = ( 0.0000000 0.5544624 0.2234757), wk = 0.0048309 k( 137) = ( 0.0000000 0.5612702 0.2514101), wk = 0.0048309 k( 138) = ( 0.0000000 0.5680781 0.2793446), wk = 0.0048309 k( 139) = ( 0.0000000 0.5748859 0.3072790), wk = 0.0048309 k( 140) = ( 0.0000000 0.5816937 0.3352135), wk = 0.0048309 k( 141) = ( 0.5000000 0.4183063 0.6647865), wk = 0.0048309 k( 142) = ( 0.5000000 0.3950671 0.6556317), wk = 0.0048309 k( 143) = ( 0.5000000 0.3718279 0.6464769), wk = 0.0048309 k( 144) = ( 0.5000000 0.3485886 0.6373221), wk = 0.0048309 k( 145) = ( 0.5000000 0.3253494 0.6281673), wk = 0.0048309 k( 146) = ( 0.5000000 0.3021101 0.6190125), wk = 0.0048309 k( 147) = ( 0.5000000 0.2788709 0.6098577), wk = 0.0048309 k( 148) = ( 0.5000000 0.2556316 0.6007029), wk = 0.0048309 k( 149) = ( 0.5000000 0.2323924 0.5915481), wk = 0.0048309 k( 150) = ( 0.5000000 0.2091532 0.5823933), wk = 0.0048309 k( 151) = ( 0.5000000 0.1859139 0.5732384), wk = 0.0048309 k( 152) = ( 0.5000000 0.1626747 0.5640836), wk = 0.0048309 k( 153) = ( 0.5000000 0.1394354 0.5549288), wk = 0.0048309 k( 154) = ( 0.5000000 0.1161962 0.5457740), wk = 0.0048309 k( 155) = ( 0.5000000 0.0929570 0.5366192), wk = 0.0048309 k( 156) = ( 0.5000000 0.0697177 0.5274644), wk = 0.0048309 k( 157) = ( 0.5000000 0.0464785 0.5183096), wk = 0.0048309 k( 158) = ( 0.5000000 0.0232392 0.5091548), wk = 0.0048309 k( 159) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0048309 k( 160) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0048309 k( 161) = ( 0.5000000 0.0000000 0.4722222), wk = 0.0048309 k( 162) = ( 0.5000000 0.0000000 0.4444444), wk = 0.0048309 k( 163) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0048309 k( 164) = ( 0.5000000 0.0000000 0.3888889), wk = 0.0048309 k( 165) = ( 0.5000000 0.0000000 0.3611111), wk = 0.0048309 k( 166) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0048309 k( 167) = ( 0.5000000 0.0000000 0.3055556), wk = 0.0048309 k( 168) = ( 0.5000000 0.0000000 0.2777778), wk = 0.0048309 k( 169) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0048309 k( 170) = ( 0.5000000 0.0000000 0.2222222), wk = 0.0048309 k( 171) = ( 0.5000000 0.0000000 0.1944444), wk = 0.0048309 k( 172) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0048309 k( 173) = ( 0.5000000 0.0000000 0.1388889), wk = 0.0048309 k( 174) = ( 0.5000000 0.0000000 0.1111111), wk = 0.0048309 k( 175) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0048309 k( 176) = ( 0.5000000 0.0000000 0.0555556), wk = 0.0048309 k( 177) = ( 0.5000000 0.0000000 0.0277778), wk = 0.0048309 k( 178) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0048309 k( 179) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0048309 k( 180) = ( 0.0178571 -0.0000000 0.5000000), wk = 0.0048309 k( 181) = ( 0.0357143 0.0000000 0.5000000), wk = 0.0048309 k( 182) = ( 0.0535714 0.0000000 0.5000000), wk = 0.0048309 k( 183) = ( 0.0714286 -0.0000000 0.5000000), wk = 0.0048309 k( 184) = ( 0.0892857 0.0000000 0.5000000), wk = 0.0048309 k( 185) = ( 0.1071429 0.0000000 0.5000000), wk = 0.0048309 k( 186) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0048309 k( 187) = ( 0.1428571 -0.0000000 0.5000000), wk = 0.0048309 k( 188) = ( 0.1607143 -0.0000000 0.5000000), wk = 0.0048309 k( 189) = ( 0.1785714 0.0000000 0.5000000), wk = 0.0048309 k( 190) = ( 0.1964286 0.0000000 0.5000000), wk = 0.0048309 k( 191) = ( 0.2142857 0.0000000 0.5000000), wk = 0.0048309 k( 192) = ( 0.2321429 0.0000000 0.5000000), wk = 0.0048309 k( 193) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0048309 k( 194) = ( 0.2678571 0.0000000 0.5000000), wk = 0.0048309 k( 195) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0048309 k( 196) = ( 0.3035714 0.0000000 0.5000000), wk = 0.0048309 k( 197) = ( 0.3214286 0.0000000 0.5000000), wk = 0.0048309 k( 198) = ( 0.3392857 -0.0000000 0.5000000), wk = 0.0048309 k( 199) = ( 0.3571429 0.0000000 0.5000000), wk = 0.0048309 k( 200) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0048309 k( 201) = ( 0.3928571 0.0000000 0.5000000), wk = 0.0048309 k( 202) = ( 0.4107143 0.0000000 0.5000000), wk = 0.0048309 k( 203) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0048309 k( 204) = ( 0.4464286 0.0000000 0.5000000), wk = 0.0048309 k( 205) = ( 0.4642857 -0.0000000 0.5000000), wk = 0.0048309 k( 206) = ( 0.4821429 0.0000000 0.5000000), wk = 0.0048309 k( 207) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0048309 Dense grid: 1134615 G-vectors FFT dimensions: ( 108, 135, 180) Smooth grid: 257375 G-vectors FFT dimensions: ( 64, 81, 108) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 1.07 Mb ( 924, 76) NL pseudopotentials 1.52 Mb ( 462, 216) Each V/rho on FFT grid 0.67 Mb ( 43740) Each G-vector array 0.12 Mb ( 15761) G-vector shells 0.12 Mb ( 15322) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 4.29 Mb ( 924, 304) Each subspace H/S matrix 0.04 Mb ( 50, 50) Each matrix 0.50 Mb ( 216, 2, 76) The potential is recalculated from file : ./RbBeH3.save/charge-density.dat Starting wfc are 128 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 6.2 secs Computing kpt #: 2 total cpu time spent up to now is 9.1 secs Computing kpt #: 3 total cpu time spent up to now is 12.0 secs Computing kpt #: 4 total cpu time spent up to now is 14.9 secs Computing kpt #: 5 total cpu time spent up to now is 17.8 secs Computing kpt #: 6 total cpu time spent up to now is 20.6 secs Computing kpt #: 7 total cpu time spent up to now is 23.5 secs Computing kpt #: 8 total cpu time spent up to now is 26.4 secs Computing kpt #: 9 total cpu time spent up to now is 29.3 secs Computing kpt #: 10 total cpu time spent up to now is 32.2 secs Computing kpt #: 11 total cpu time spent up to now is 35.1 secs Computing kpt #: 12 total cpu time spent up to now is 38.1 secs Computing kpt #: 13 total cpu time spent up to now is 41.1 secs Computing kpt #: 14 total cpu time spent up to now is 43.9 secs Computing kpt #: 15 total cpu time spent up to now is 46.8 secs Computing kpt #: 16 total cpu time spent up to now is 49.6 secs Computing kpt #: 17 total cpu time spent up to now is 52.5 secs Computing kpt #: 18 total cpu time spent up to now is 55.3 secs Computing kpt #: 19 total cpu time spent up to now is 58.2 secs Computing kpt #: 20 total cpu time spent up to now is 61.0 secs Computing kpt #: 21 total cpu time spent up to now is 63.8 secs Computing kpt #: 22 total cpu time spent up to now is 66.7 secs Computing kpt #: 23 total cpu time spent up to now is 69.5 secs Computing kpt #: 24 total cpu time spent up to now is 72.3 secs Computing kpt #: 25 total cpu time spent up to now is 75.1 secs Computing kpt #: 26 total cpu time spent up to now is 78.0 secs Computing kpt #: 27 total cpu time spent up to now is 80.9 secs Computing kpt #: 28 total cpu time spent up to now is 83.7 secs Computing kpt #: 29 total cpu time spent up to now is 86.6 secs Computing kpt #: 30 total cpu time spent up to now is 89.5 secs Computing kpt #: 31 total cpu time spent up to now is 92.5 secs Computing kpt #: 32 total cpu time spent up to now is 95.6 secs Computing kpt #: 33 total cpu time spent up to now is 98.9 secs Computing kpt #: 34 total cpu time spent up to now is 103.1 secs Computing kpt #: 35 total cpu time spent up to now is 106.4 secs Computing kpt #: 36 total cpu time spent up to now is 109.6 secs Computing kpt #: 37 total cpu time spent up to now is 112.9 secs Computing kpt #: 38 total cpu time spent up to now is 115.9 secs Computing kpt #: 39 total cpu time spent up to now is 119.0 secs Computing kpt #: 40 total cpu time spent up to now is 122.0 secs Computing kpt #: 41 total cpu time spent up to now is 125.1 secs Computing kpt #: 42 total cpu time spent up to now is 128.2 secs Computing kpt #: 43 total cpu time spent up to now is 131.3 secs Computing kpt #: 44 total cpu time spent up to now is 134.5 secs Computing kpt #: 45 total cpu time spent up to now is 137.8 secs Computing kpt #: 46 total cpu time spent up to now is 141.1 secs Computing kpt #: 47 total cpu time spent up to now is 144.5 secs Computing kpt #: 48 total cpu time spent up to now is 147.7 secs Computing kpt #: 49 total cpu time spent up to now is 151.0 secs Computing kpt #: 50 total cpu time spent up to now is 154.2 secs Computing kpt #: 51 total cpu time spent up to now is 157.4 secs Computing kpt #: 52 total cpu time spent up to now is 160.5 secs Computing kpt #: 53 total cpu time spent up to now is 163.5 secs Computing kpt #: 54 total cpu time spent up to now is 166.5 secs Computing kpt #: 55 total cpu time spent up to now is 169.5 secs Computing kpt #: 56 total cpu time spent up to now is 172.4 secs Computing kpt #: 57 total cpu time spent up to now is 175.4 secs Computing kpt #: 58 total cpu time spent up to now is 178.3 secs Computing kpt #: 59 total cpu time spent up to now is 181.2 secs Computing kpt #: 60 total cpu time spent up to now is 184.1 secs Computing kpt #: 61 total cpu time spent up to now is 186.9 secs Computing kpt #: 62 total cpu time spent up to now is 189.8 secs Computing kpt #: 63 total cpu time spent up to now is 192.7 secs Computing kpt #: 64 total cpu time spent up to now is 195.6 secs Computing kpt #: 65 total cpu time spent up to now is 198.5 secs Computing kpt #: 66 total cpu time spent up to now is 201.4 secs Computing kpt #: 67 total cpu time spent up to now is 204.3 secs Computing kpt #: 68 total cpu time spent up to now is 207.2 secs Computing kpt #: 69 total cpu time spent up to now is 210.1 secs Computing kpt #: 70 total cpu time spent up to now is 213.0 secs Computing kpt #: 71 total cpu time spent up to now is 215.9 secs Computing kpt #: 72 total cpu time spent up to now is 218.8 secs Computing kpt #: 73 total cpu time spent up to now is 221.8 secs Computing kpt #: 74 total cpu time spent up to now is 224.7 secs Computing kpt #: 75 total cpu time spent up to now is 227.6 secs Computing kpt #: 76 total cpu time spent up to now is 230.5 secs Computing kpt #: 77 total cpu time spent up to now is 233.5 secs Computing kpt #: 78 total cpu time spent up to now is 236.3 secs Computing kpt #: 79 total cpu time spent up to now is 239.2 secs Computing kpt #: 80 total cpu time spent up to now is 242.1 secs Computing kpt #: 81 total cpu time spent up to now is 245.0 secs Computing kpt #: 82 total cpu time spent up to now is 247.8 secs Computing kpt #: 83 total cpu time spent up to now is 250.8 secs Computing kpt #: 84 total cpu time spent up to now is 253.3 secs Computing kpt #: 85 total cpu time spent up to now is 255.8 secs Computing kpt #: 86 total cpu time spent up to now is 258.3 secs Computing kpt #: 87 total cpu time spent up to now is 260.7 secs Computing kpt #: 88 total cpu time spent up to now is 263.1 secs Computing kpt #: 89 total cpu time spent up to now is 265.5 secs Computing kpt #: 90 total cpu time spent up to now is 267.8 secs Computing kpt #: 91 total cpu time spent up to now is 270.1 secs Computing kpt #: 92 total cpu time spent up to now is 272.4 secs Computing kpt #: 93 total cpu time spent up to now is 274.6 secs Computing kpt #: 94 total cpu time spent up to now is 276.9 secs Computing kpt #: 95 total cpu time spent up to now is 279.2 secs Computing kpt #: 96 total cpu time spent up to now is 281.4 secs Computing kpt #: 97 total cpu time spent up to now is 283.7 secs Computing kpt #: 98 total cpu time spent up to now is 285.9 secs Computing kpt #: 99 total cpu time spent up to now is 288.2 secs Computing kpt #: 100 total cpu time spent up to now is 290.4 secs Computing kpt #: 101 total cpu time spent up to now is 292.7 secs Computing kpt #: 102 total cpu time spent up to now is 295.0 secs Computing kpt #: 103 total cpu time spent up to now is 297.2 secs Computing kpt #: 104 total cpu time spent up to now is 299.6 secs Computing kpt #: 105 total cpu time spent up to now is 301.8 secs Computing kpt #: 106 total cpu time spent up to now is 304.1 secs Computing kpt #: 107 total cpu time spent up to now is 306.5 secs Computing kpt #: 108 total cpu time spent up to now is 308.8 secs Computing kpt #: 109 total cpu time spent up to now is 311.2 secs Computing kpt #: 110 total cpu time spent up to now is 313.6 secs Computing kpt #: 111 total cpu time spent up to now is 316.0 secs Computing kpt #: 112 total cpu time spent up to now is 318.5 secs Computing kpt #: 113 total cpu time spent up to now is 320.9 secs Computing kpt #: 114 total cpu time spent up to now is 323.7 secs Computing kpt #: 115 total cpu time spent up to now is 326.5 secs Computing kpt #: 116 total cpu time spent up to now is 329.3 secs Computing kpt #: 117 total cpu time spent up to now is 332.1 secs Computing kpt #: 118 total cpu time spent up to now is 335.0 secs Computing kpt #: 119 total cpu time spent up to now is 337.8 secs Computing kpt #: 120 total cpu time spent up to now is 340.7 secs Computing kpt #: 121 total cpu time spent up to now is 343.6 secs Computing kpt #: 122 total cpu time spent up to now is 346.6 secs Computing kpt #: 123 total cpu time spent up to now is 349.5 secs Computing kpt #: 124 total cpu time spent up to now is 352.4 secs Computing kpt #: 125 total cpu time spent up to now is 355.3 secs Computing kpt #: 126 total cpu time spent up to now is 358.2 secs Computing kpt #: 127 total cpu time spent up to now is 361.0 secs Computing kpt #: 128 total cpu time spent up to now is 363.9 secs Computing kpt #: 129 total cpu time spent up to now is 366.8 secs Computing kpt #: 130 total cpu time spent up to now is 369.8 secs Computing kpt #: 131 total cpu time spent up to now is 372.6 secs Computing kpt #: 132 total cpu time spent up to now is 375.6 secs Computing kpt #: 133 total cpu time spent up to now is 378.5 secs Computing kpt #: 134 total cpu time spent up to now is 381.4 secs Computing kpt #: 135 total cpu time spent up to now is 384.3 secs Computing kpt #: 136 total cpu time spent up to now is 387.2 secs Computing kpt #: 137 total cpu time spent up to now is 390.2 secs Computing kpt #: 138 total cpu time spent up to now is 393.2 secs Computing kpt #: 139 total cpu time spent up to now is 396.2 secs Computing kpt #: 140 total cpu time spent up to now is 399.4 secs Computing kpt #: 141 total cpu time spent up to now is 402.2 secs Computing kpt #: 142 total cpu time spent up to now is 405.0 secs Computing kpt #: 143 total cpu time spent up to now is 407.8 secs Computing kpt #: 144 total cpu time spent up to now is 410.7 secs Computing kpt #: 145 total cpu time spent up to now is 413.8 secs Computing kpt #: 146 total cpu time spent up to now is 416.6 secs Computing kpt #: 147 total cpu time spent up to now is 419.5 secs Computing kpt #: 148 total cpu time spent up to now is 422.5 secs Computing kpt #: 149 total cpu time spent up to now is 425.4 secs Computing kpt #: 150 total cpu time spent up to now is 428.3 secs Computing kpt #: 151 total cpu time spent up to now is 431.2 secs Computing kpt #: 152 total cpu time spent up to now is 434.2 secs Computing kpt #: 153 total cpu time spent up to now is 437.2 secs Computing kpt #: 154 total cpu time spent up to now is 440.2 secs Computing kpt #: 155 total cpu time spent up to now is 443.2 secs Computing kpt #: 156 total cpu time spent up to now is 446.2 secs Computing kpt #: 157 total cpu time spent up to now is 449.3 secs Computing kpt #: 158 total cpu time spent up to now is 452.4 secs Computing kpt #: 159 total cpu time spent up to now is 456.3 secs Computing kpt #: 160 total cpu time spent up to now is 460.1 secs Computing kpt #: 161 total cpu time spent up to now is 463.3 secs Computing kpt #: 162 total cpu time spent up to now is 466.4 secs Computing kpt #: 163 total cpu time spent up to now is 469.5 secs Computing kpt #: 164 total cpu time spent up to now is 472.7 secs Computing kpt #: 165 total cpu time spent up to now is 475.8 secs Computing kpt #: 166 total cpu time spent up to now is 478.9 secs Computing kpt #: 167 total cpu time spent up to now is 482.0 secs Computing kpt #: 168 total cpu time spent up to now is 485.1 secs Computing kpt #: 169 total cpu time spent up to now is 488.3 secs Computing kpt #: 170 total cpu time spent up to now is 491.4 secs Computing kpt #: 171 total cpu time spent up to now is 494.5 secs Computing kpt #: 172 total cpu time spent up to now is 497.7 secs Computing kpt #: 173 total cpu time spent up to now is 500.9 secs Computing kpt #: 174 total cpu time spent up to now is 504.1 secs Computing kpt #: 175 total cpu time spent up to now is 507.3 secs Computing kpt #: 176 total cpu time spent up to now is 510.6 secs Computing kpt #: 177 total cpu time spent up to now is 513.9 secs Computing kpt #: 178 total cpu time spent up to now is 517.2 secs Computing kpt #: 179 total cpu time spent up to now is 519.9 secs Computing kpt #: 180 total cpu time spent up to now is 522.7 secs Computing kpt #: 181 total cpu time spent up to now is 525.5 secs Computing kpt #: 182 total cpu time spent up to now is 528.4 secs Computing kpt #: 183 total cpu time spent up to now is 531.2 secs Computing kpt #: 184 total cpu time spent up to now is 534.0 secs Computing kpt #: 185 total cpu time spent up to now is 536.8 secs Computing kpt #: 186 total cpu time spent up to now is 539.6 secs Computing kpt #: 187 total cpu time spent up to now is 542.5 secs Computing kpt #: 188 total cpu time spent up to now is 545.4 secs Computing kpt #: 189 total cpu time spent up to now is 548.3 secs Computing kpt #: 190 total cpu time spent up to now is 551.2 secs Computing kpt #: 191 total cpu time spent up to now is 554.1 secs Computing kpt #: 192 total cpu time spent up to now is 557.0 secs Computing kpt #: 193 total cpu time spent up to now is 560.0 secs Computing kpt #: 194 total cpu time spent up to now is 562.9 secs Computing kpt #: 195 total cpu time spent up to now is 566.0 secs Computing kpt #: 196 total cpu time spent up to now is 569.0 secs Computing kpt #: 197 total cpu time spent up to now is 572.0 secs Computing kpt #: 198 total cpu time spent up to now is 575.1 secs Computing kpt #: 199 total cpu time spent up to now is 578.2 secs Computing kpt #: 200 total cpu time spent up to now is 581.4 secs Computing kpt #: 201 total cpu time spent up to now is 584.5 secs Computing kpt #: 202 total cpu time spent up to now is 587.7 secs Computing kpt #: 203 total cpu time spent up to now is 591.0 secs Computing kpt #: 204 total cpu time spent up to now is 594.7 secs Computing kpt #: 205 total cpu time spent up to now is 598.4 secs Computing kpt #: 206 total cpu time spent up to now is 602.2 secs Computing kpt #: 207 total cpu time spent up to now is 606.0 secs ethr = 1.56E-08, avg # of iterations = 26.1 total cpu time spent up to now is 606.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 32195 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4860 -25.4860 -25.4819 -25.4819 -25.4782 -25.4782 -25.4751 -25.4751 -10.2503 -10.2503 -10.2356 -10.2356 -10.2108 -10.2108 -10.1677 -10.1677 -9.4202 -9.4202 -9.4191 -9.4191 -9.3930 -9.3930 -9.3645 -9.3645 -9.3174 -9.3174 -9.3044 -9.3044 -9.2815 -9.2815 -9.2748 -9.2748 -3.9676 -3.9676 -3.2906 -3.2906 -3.2186 -3.2186 -2.9157 -2.9157 -1.7596 -1.7596 -1.4379 -1.4379 -1.4271 -1.4271 -1.1974 -1.1974 -1.1846 -1.1846 -1.1272 -1.1272 -0.8645 -0.8645 -0.8408 -0.8408 2.4395 2.4395 3.8490 3.8490 4.1038 4.1038 4.4729 4.4729 5.1830 5.1830 5.2291 5.2291 k = 0.0000 0.0000 0.0179 ( 32179 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4860 -25.4860 -25.4819 -25.4819 -25.4782 -25.4782 -25.4751 -25.4751 -10.2503 -10.2503 -10.2357 -10.2357 -10.2107 -10.2107 -10.1678 -10.1678 -9.4201 -9.4201 -9.4190 -9.4190 -9.3928 -9.3928 -9.3645 -9.3645 -9.3175 -9.3175 -9.3044 -9.3044 -9.2815 -9.2815 -9.2750 -9.2750 -3.9665 -3.9665 -3.2900 -3.2900 -3.2207 -3.2207 -2.9166 -2.9166 -1.7573 -1.7573 -1.4375 -1.4375 -1.4265 -1.4265 -1.1978 -1.1978 -1.1847 -1.1847 -1.1268 -1.1268 -0.8656 -0.8656 -0.8415 -0.8415 2.4413 2.4413 3.8438 3.8438 4.1048 4.1048 4.4759 4.4759 5.1838 5.1838 5.2195 5.2195 k = 0.0000 0.0000 0.0358 ( 32199 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4860 -25.4860 -25.4819 -25.4819 -25.4782 -25.4782 -25.4751 -25.4751 -10.2502 -10.2502 -10.2357 -10.2357 -10.2105 -10.2105 -10.1680 -10.1680 -9.4199 -9.4199 -9.4189 -9.4189 -9.3923 -9.3923 -9.3645 -9.3645 -9.3180 -9.3180 -9.3047 -9.3047 -9.2816 -9.2816 -9.2753 -9.2753 -3.9633 -3.9633 -3.2881 -3.2881 -3.2271 -3.2271 -2.9191 -2.9191 -1.7504 -1.7504 -1.4364 -1.4364 -1.4246 -1.4246 -1.1993 -1.1993 -1.1848 -1.1848 -1.1259 -1.1259 -0.8690 -0.8690 -0.8437 -0.8437 2.4466 2.4466 3.8285 3.8285 4.1076 4.1076 4.4847 4.4847 5.1860 5.1860 5.1935 5.1935 k = 0.0000 0.0000 0.0537 ( 32205 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4859 -25.4859 -25.4819 -25.4819 -25.4782 -25.4782 -25.4751 -25.4751 -10.2500 -10.2500 -10.2358 -10.2358 -10.2100 -10.2100 -10.1683 -10.1683 -9.4195 -9.4195 -9.4186 -9.4186 -9.3915 -9.3915 -9.3645 -9.3645 -9.3187 -9.3187 -9.3050 -9.3050 -9.2817 -9.2817 -9.2759 -9.2759 -3.9579 -3.9579 -3.2851 -3.2851 -3.2377 -3.2377 -2.9234 -2.9234 -1.7390 -1.7390 -1.4346 -1.4346 -1.4215 -1.4215 -1.2015 -1.2015 -1.1853 -1.1853 -1.1241 -1.1241 -0.8747 -0.8747 -0.8472 -0.8472 2.4554 2.4554 3.8038 3.8038 4.1124 4.1124 4.4990 4.4990 5.1560 5.1560 5.1896 5.1896 k = 0.0000 0.0000 0.0715 ( 32215 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4859 -25.4859 -25.4820 -25.4820 -25.4781 -25.4781 -25.4752 -25.4752 -10.2497 -10.2497 -10.2359 -10.2359 -10.2094 -10.2094 -10.1689 -10.1689 -9.4191 -9.4191 -9.4183 -9.4183 -9.3904 -9.3904 -9.3645 -9.3645 -9.3198 -9.3198 -9.3056 -9.3056 -9.2818 -9.2818 -9.2766 -9.2766 -3.9504 -3.9504 -3.2808 -3.2808 -3.2520 -3.2520 -2.9292 -2.9292 -1.7235 -1.7235 -1.4321 -1.4321 -1.4172 -1.4172 -1.2043 -1.2043 -1.1863 -1.1863 -1.1216 -1.1216 -0.8828 -0.8828 -0.8518 -0.8518 2.4677 2.4677 3.7707 3.7707 4.1192 4.1192 4.5182 4.5182 5.1113 5.1113 5.1945 5.1945 k = 0.0000 0.0000 0.0894 ( 32215 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4858 -25.4858 -25.4821 -25.4821 -25.4781 -25.4781 -25.4752 -25.4752 -10.2494 -10.2494 -10.2360 -10.2360 -10.2087 -10.2087 -10.1695 -10.1695 -9.4185 -9.4185 -9.4178 -9.4178 -9.3889 -9.3889 -9.3645 -9.3645 -9.3211 -9.3211 -9.3064 -9.3064 -9.2819 -9.2819 -9.2775 -9.2775 -3.9408 -3.9408 -3.2754 -3.2754 -3.2699 -3.2699 -2.9366 -2.9366 -1.7041 -1.7041 -1.4289 -1.4289 -1.4117 -1.4117 -1.2078 -1.2078 -1.1880 -1.1880 -1.1180 -1.1180 -0.8934 -0.8934 -0.8575 -0.8575 2.4836 2.4836 3.7305 3.7305 4.1278 4.1278 4.5419 4.5419 5.0621 5.0621 5.2005 5.2005 k = 0.0000 0.0000 0.1073 ( 32190 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4857 -25.4857 -25.4821 -25.4821 -25.4780 -25.4780 -25.4753 -25.4753 -10.2490 -10.2490 -10.2362 -10.2362 -10.2077 -10.2077 -10.1703 -10.1703 -9.4179 -9.4179 -9.4172 -9.4172 -9.3872 -9.3872 -9.3644 -9.3644 -9.3226 -9.3226 -9.3075 -9.3075 -9.2820 -9.2820 -9.2785 -9.2785 -3.9291 -3.9291 -3.2909 -3.2909 -3.2688 -3.2688 -2.9455 -2.9455 -1.6814 -1.6814 -1.4252 -1.4252 -1.4052 -1.4052 -1.2117 -1.2117 -1.1905 -1.1905 -1.1135 -1.1135 -0.9065 -0.9065 -0.8641 -0.8641 2.5029 2.5029 3.6844 3.6844 4.1385 4.1385 4.5696 4.5696 5.0103 5.0103 5.2074 5.2074 k = 0.0000 0.0000 0.1252 ( 32194 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4856 -25.4856 -25.4822 -25.4822 -25.4779 -25.4779 -25.4754 -25.4754 -10.2486 -10.2486 -10.2365 -10.2365 -10.2067 -10.2067 -10.1712 -10.1712 -9.4173 -9.4173 -9.4165 -9.4165 -9.3852 -9.3852 -9.3642 -9.3642 -9.3244 -9.3244 -9.3089 -9.3089 -9.2822 -9.2822 -9.2794 -9.2794 -3.9154 -3.9154 -3.3147 -3.3147 -3.2611 -3.2611 -2.9557 -2.9557 -1.6558 -1.6558 -1.4208 -1.4208 -1.3978 -1.3978 -1.2160 -1.2160 -1.1939 -1.1939 -1.1079 -1.1079 -0.9218 -0.9218 -0.8716 -0.8716 2.5256 2.5256 3.6334 3.6334 4.1511 4.1511 4.6010 4.6010 4.9570 4.9570 5.2149 5.2149 k = 0.0000 0.0000 0.1431 ( 32186 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4855 -25.4855 -25.4824 -25.4824 -25.4778 -25.4778 -25.4755 -25.4755 -10.2481 -10.2481 -10.2367 -10.2367 -10.2055 -10.2055 -10.1723 -10.1723 -9.4167 -9.4167 -9.4157 -9.4157 -9.3829 -9.3829 -9.3640 -9.3640 -9.3264 -9.3264 -9.3105 -9.3105 -9.2824 -9.2824 -9.2804 -9.2804 -3.8998 -3.8998 -3.3408 -3.3408 -3.2524 -3.2524 -2.9671 -2.9671 -1.6278 -1.6278 -1.4160 -1.4160 -1.3896 -1.3896 -1.2207 -1.2207 -1.1981 -1.1981 -1.1013 -1.1013 -0.9395 -0.9395 -0.8800 -0.8800 2.5516 2.5516 3.5786 3.5786 4.1658 4.1658 4.6358 4.6358 4.9034 4.9034 5.2225 5.2225 k = 0.0000 0.0000 0.1610 ( 32191 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4854 -25.4854 -25.4825 -25.4825 -25.4778 -25.4778 -25.4755 -25.4755 -10.2476 -10.2476 -10.2370 -10.2370 -10.2041 -10.2041 -10.1735 -10.1735 -9.4160 -9.4160 -9.4148 -9.4148 -9.3804 -9.3804 -9.3636 -9.3636 -9.3285 -9.3285 -9.3125 -9.3125 -9.2826 -9.2826 -9.2813 -9.2813 -3.8823 -3.8823 -3.3688 -3.3688 -3.2426 -3.2426 -2.9796 -2.9796 -1.5979 -1.5979 -1.4107 -1.4107 -1.3805 -1.3805 -1.2257 -1.2257 -1.2030 -1.2030 -1.0938 -1.0938 -0.9592 -0.9592 -0.8891 -0.8891 2.5810 2.5810 3.5209 3.5209 4.1825 4.1825 4.6737 4.6737 4.8499 4.8499 5.2296 5.2296 k = 0.0000 0.0000 0.1789 ( 32164 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4853 -25.4853 -25.4826 -25.4826 -25.4777 -25.4777 -25.4756 -25.4756 -10.2470 -10.2470 -10.2374 -10.2374 -10.2026 -10.2026 -10.1748 -10.1748 -9.4153 -9.4153 -9.4139 -9.4139 -9.3777 -9.3777 -9.3631 -9.3631 -9.3308 -9.3308 -9.3149 -9.3149 -9.2828 -9.2828 -9.2821 -9.2821 -3.8629 -3.8629 -3.3984 -3.3984 -3.2318 -3.2318 -2.9931 -2.9931 -1.5668 -1.5668 -1.4050 -1.4050 -1.3709 -1.3709 -1.2308 -1.2308 -1.2086 -1.2086 -1.0854 -1.0854 -0.9809 -0.9809 -0.8990 -0.8990 2.6136 2.6136 3.4612 3.4612 4.2013 4.2013 4.7141 4.7141 4.7976 4.7976 5.2353 5.2353 k = 0.0000 0.0000 0.1967 ( 32181 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4851 -25.4851 -25.4828 -25.4828 -25.4775 -25.4775 -25.4758 -25.4758 -10.2464 -10.2464 -10.2378 -10.2378 -10.2011 -10.2011 -10.1762 -10.1762 -9.4147 -9.4147 -9.4131 -9.4131 -9.3749 -9.3749 -9.3623 -9.3623 -9.3332 -9.3332 -9.3176 -9.3176 -9.2830 -9.2830 -9.2827 -9.2827 -3.8418 -3.8418 -3.4292 -3.4292 -3.2201 -3.2201 -3.0074 -3.0074 -1.5349 -1.5349 -1.3992 -1.3992 -1.3607 -1.3607 -1.2359 -1.2359 -1.2146 -1.2146 -1.0765 -1.0765 -1.0042 -1.0042 -0.9095 -0.9095 2.6494 2.6494 3.4001 3.4001 4.2223 4.2223 4.7398 4.7398 4.7637 4.7637 5.2387 5.2387 k = 0.0000 0.0000 0.2146 ( 32181 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4850 -25.4850 -25.4829 -25.4829 -25.4774 -25.4774 -25.4759 -25.4759 -10.2457 -10.2457 -10.2383 -10.2383 -10.1994 -10.1994 -10.1777 -10.1777 -9.4140 -9.4140 -9.4124 -9.4124 -9.3719 -9.3719 -9.3614 -9.3614 -9.3356 -9.3356 -9.3206 -9.3206 -9.2833 -9.2833 -9.2832 -9.2832 -3.8190 -3.8190 -3.4608 -3.4608 -3.2075 -3.2075 -3.0223 -3.0223 -1.5030 -1.5030 -1.3933 -1.3933 -1.3501 -1.3501 -1.2410 -1.2410 -1.2207 -1.2207 -1.0675 -1.0675 -1.0283 -1.0283 -0.9206 -0.9206 2.6883 2.6883 3.3383 3.3383 4.2454 4.2454 4.6934 4.6934 4.8057 4.8057 5.2383 5.2383 k = 0.0000 0.0000 0.2325 ( 32199 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4848 -25.4848 -25.4831 -25.4831 -25.4773 -25.4773 -25.4760 -25.4760 -10.2451 -10.2451 -10.2387 -10.2387 -10.1976 -10.1976 -10.1793 -10.1793 -9.4133 -9.4133 -9.4118 -9.4118 -9.3689 -9.3689 -9.3602 -9.3602 -9.3379 -9.3379 -9.3238 -9.3238 -9.2837 -9.2837 -9.2834 -9.2834 -3.7947 -3.7947 -3.4930 -3.4930 -3.1942 -3.1942 -3.0378 -3.0378 -1.4720 -1.4720 -1.3875 -1.3875 -1.3392 -1.3392 -1.2460 -1.2460 -1.2262 -1.2262 -1.0651 -1.0651 -1.0465 -1.0465 -0.9322 -0.9322 2.7301 2.7301 3.2764 3.2764 4.2707 4.2707 4.6450 4.6450 4.8532 4.8532 5.2327 5.2327 k = 0.0000 0.0000 0.2504 ( 32169 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4846 -25.4846 -25.4832 -25.4832 -25.4772 -25.4772 -25.4761 -25.4761 -10.2444 -10.2444 -10.2393 -10.2393 -10.1958 -10.1958 -10.1810 -10.1810 -9.4127 -9.4127 -9.4113 -9.4113 -9.3660 -9.3660 -9.3587 -9.3587 -9.3401 -9.3401 -9.3272 -9.3272 -9.2839 -9.2839 -9.2836 -9.2836 -3.7689 -3.7689 -3.5255 -3.5255 -3.1802 -3.1802 -3.0537 -3.0537 -1.4432 -1.4432 -1.3821 -1.3821 -1.3280 -1.3280 -1.2515 -1.2515 -1.2297 -1.2297 -1.0866 -1.0866 -1.0413 -1.0413 -0.9441 -0.9441 2.7748 2.7748 3.2148 3.2148 4.2982 4.2982 4.5981 4.5981 4.9024 4.9024 5.2204 5.2204 k = 0.0000 0.0000 0.2683 ( 32159 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4845 -25.4845 -25.4834 -25.4834 -25.4771 -25.4771 -25.4762 -25.4762 -10.2437 -10.2437 -10.2398 -10.2398 -10.1940 -10.1940 -10.1827 -10.1827 -9.4121 -9.4121 -9.4110 -9.4110 -9.3633 -9.3633 -9.3573 -9.3573 -9.3418 -9.3418 -9.3306 -9.3306 -9.2841 -9.2841 -9.2838 -9.2838 -3.7417 -3.7417 -3.5580 -3.5580 -3.1655 -3.1655 -3.0699 -3.0699 -1.4178 -1.4178 -1.3775 -1.3775 -1.3167 -1.3167 -1.2581 -1.2581 -1.2291 -1.2291 -1.1136 -1.1136 -1.0304 -1.0304 -0.9564 -0.9564 2.8222 2.8222 3.1539 3.1539 4.3279 4.3279 4.5531 4.5531 4.9523 4.9523 5.2003 5.2003 k = 0.0000 0.0000 0.2862 ( 32165 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4843 -25.4843 -25.4836 -25.4836 -25.4769 -25.4769 -25.4764 -25.4764 -10.2430 -10.2430 -10.2404 -10.2404 -10.1921 -10.1921 -10.1846 -10.1846 -9.4116 -9.4116 -9.4108 -9.4108 -9.3609 -9.3609 -9.3561 -9.3561 -9.3427 -9.3427 -9.3341 -9.3341 -9.2842 -9.2842 -9.2840 -9.2840 -3.7133 -3.7133 -3.5902 -3.5902 -3.1503 -3.1503 -3.0862 -3.0862 -1.3977 -1.3977 -1.3744 -1.3744 -1.3055 -1.3055 -1.2659 -1.2659 -1.2229 -1.2229 -1.1410 -1.1410 -1.0187 -1.0187 -0.9689 -0.9689 2.8722 2.8722 3.0941 3.0941 4.3599 4.3599 4.5101 4.5101 5.0020 5.0020 5.1724 5.1724 k = 0.0000 0.0000 0.3040 ( 32168 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4841 -25.4841 -25.4838 -25.4838 -25.4768 -25.4768 -25.4765 -25.4765 -10.2424 -10.2424 -10.2410 -10.2410 -10.1902 -10.1902 -10.1864 -10.1864 -9.4112 -9.4112 -9.4108 -9.4108 -9.3587 -9.3587 -9.3560 -9.3560 -9.3422 -9.3422 -9.3374 -9.3374 -9.2842 -9.2842 -9.2841 -9.2841 -3.6838 -3.6838 -3.6221 -3.6221 -3.1347 -3.1347 -3.1025 -3.1025 -1.3838 -1.3838 -1.3735 -1.3735 -1.2947 -1.2947 -1.2748 -1.2748 -1.2099 -1.2099 -1.1672 -1.1672 -1.0065 -1.0065 -0.9814 -0.9814 2.9246 2.9246 3.0358 3.0358 4.3941 4.3941 4.4692 4.4692 5.0503 5.0503 5.1372 5.1372 k = 0.0000 0.0000 0.3219 ( 32160 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4839 -25.4839 -25.4839 -25.4839 -25.4767 -25.4767 -25.4767 -25.4767 -10.2417 -10.2417 -10.2417 -10.2417 -10.1883 -10.1883 -10.1883 -10.1883 -9.4109 -9.4109 -9.4109 -9.4109 -9.3570 -9.3570 -9.3570 -9.3570 -9.3402 -9.3402 -9.3402 -9.3402 -9.2842 -9.2842 -9.2842 -9.2842 -3.6533 -3.6533 -3.6533 -3.6533 -3.1187 -3.1187 -3.1187 -3.1187 -1.3762 -1.3762 -1.3762 -1.3762 -1.2844 -1.2844 -1.2844 -1.2844 -1.1909 -1.1909 -1.1909 -1.1909 -0.9940 -0.9940 -0.9940 -0.9940 2.9792 2.9792 2.9792 2.9792 4.4306 4.4306 4.4306 4.4306 5.0959 5.0959 5.0959 5.0959 k = 0.0000 0.0000 0.3219 ( 32160 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4839 -25.4839 -25.4839 -25.4839 -25.4767 -25.4767 -25.4767 -25.4767 -10.2417 -10.2417 -10.2417 -10.2417 -10.1883 -10.1883 -10.1883 -10.1883 -9.4109 -9.4109 -9.4109 -9.4109 -9.3570 -9.3570 -9.3570 -9.3570 -9.3402 -9.3402 -9.3402 -9.3402 -9.2842 -9.2842 -9.2842 -9.2842 -3.6533 -3.6533 -3.6533 -3.6533 -3.1187 -3.1187 -3.1187 -3.1187 -1.3762 -1.3762 -1.3762 -1.3762 -1.2844 -1.2844 -1.2844 -1.2844 -1.1909 -1.1909 -1.1909 -1.1909 -0.9940 -0.9940 -0.9940 -0.9940 2.9792 2.9792 2.9792 2.9792 4.4306 4.4306 4.4306 4.4306 5.0959 5.0959 5.0959 5.0959 k = 0.0000 0.0181 0.3219 ( 32145 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4840 -25.4840 -25.4839 -25.4839 -25.4767 -25.4767 -25.4766 -25.4766 -10.2421 -10.2421 -10.2412 -10.2412 -10.1886 -10.1886 -10.1881 -10.1881 -9.4109 -9.4109 -9.4107 -9.4107 -9.3580 -9.3580 -9.3560 -9.3560 -9.3407 -9.3407 -9.3398 -9.3398 -9.2845 -9.2845 -9.2841 -9.2841 -3.6544 -3.6544 -3.6508 -3.6508 -3.1232 -3.1232 -3.1156 -3.1156 -1.3810 -1.3810 -1.3705 -1.3705 -1.2884 -1.2884 -1.2805 -1.2805 -1.1966 -1.1966 -1.1854 -1.1854 -0.9953 -0.9953 -0.9939 -0.9939 2.9655 2.9655 2.9965 2.9965 4.4272 4.4272 4.4284 4.4284 5.0810 5.0810 5.1143 5.1143 k = 0.0000 0.0362 0.3219 ( 32159 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4840 -25.4840 -25.4838 -25.4838 -25.4768 -25.4768 -25.4766 -25.4766 -10.2423 -10.2423 -10.2405 -10.2405 -10.1890 -10.1890 -10.1881 -10.1881 -9.4105 -9.4105 -9.4102 -9.4102 -9.3591 -9.3591 -9.3551 -9.3551 -9.3411 -9.3411 -9.3393 -9.3393 -9.2852 -9.2852 -9.2844 -9.2844 -3.6540 -3.6540 -3.6468 -3.6468 -3.1291 -3.1291 -3.1137 -3.1137 -1.3850 -1.3850 -1.3639 -1.3639 -1.2920 -1.2920 -1.2766 -1.2766 -1.2025 -1.2025 -1.1803 -1.1803 -0.9977 -0.9977 -0.9948 -0.9948 2.9553 2.9553 3.0172 3.0172 4.4185 4.4185 4.4210 4.4210 5.0697 5.0697 5.1362 5.1362 k = 0.0000 0.0543 0.3219 ( 32154 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4840 -25.4840 -25.4837 -25.4837 -25.4769 -25.4769 -25.4765 -25.4765 -10.2424 -10.2424 -10.2396 -10.2396 -10.1895 -10.1895 -10.1883 -10.1883 -9.4098 -9.4098 -9.4094 -9.4094 -9.3603 -9.3603 -9.3543 -9.3543 -9.3414 -9.3414 -9.3388 -9.3388 -9.2863 -9.2863 -9.2851 -9.2851 -3.6521 -3.6521 -3.6415 -3.6415 -3.1365 -3.1365 -3.1128 -3.1128 -1.3881 -1.3881 -1.3566 -1.3566 -1.2953 -1.2953 -1.2732 -1.2732 -1.2085 -1.2085 -1.1756 -1.1756 -1.0012 -1.0012 -0.9969 -0.9969 2.9488 2.9488 3.0414 3.0414 4.4044 4.4044 4.4083 4.4083 5.0619 5.0619 5.1614 5.1614 k = 0.0000 0.0723 0.3219 ( 32153 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4839 -25.4839 -25.4836 -25.4836 -25.4771 -25.4771 -25.4766 -25.4766 -10.2424 -10.2424 -10.2386 -10.2386 -10.1902 -10.1902 -10.1885 -10.1885 -9.4089 -9.4089 -9.4083 -9.4083 -9.3614 -9.3614 -9.3537 -9.3537 -9.3418 -9.3418 -9.3383 -9.3383 -9.2876 -9.2876 -9.2860 -9.2860 -3.6486 -3.6486 -3.6349 -3.6349 -3.1455 -3.1455 -3.1130 -3.1130 -1.3904 -1.3904 -1.3485 -1.3485 -1.2978 -1.2978 -1.2703 -1.2703 -1.2145 -1.2145 -1.1715 -1.1715 -1.0058 -1.0058 -1.0000 -1.0000 2.9459 2.9459 3.0688 3.0688 4.3851 4.3851 4.3906 4.3906 5.0577 5.0577 5.1901 5.1901 k = 0.0000 0.0904 0.3219 ( 32174 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4839 -25.4839 -25.4835 -25.4835 -25.4772 -25.4772 -25.4766 -25.4766 -10.2422 -10.2422 -10.2375 -10.2375 -10.1910 -10.1910 -10.1889 -10.1889 -9.4076 -9.4076 -9.4069 -9.4069 -9.3626 -9.3626 -9.3532 -9.3532 -9.3420 -9.3420 -9.3377 -9.3377 -9.2893 -9.2893 -9.2873 -9.2873 -3.6436 -3.6436 -3.6271 -3.6271 -3.1563 -3.1563 -3.1140 -3.1140 -1.3918 -1.3918 -1.3397 -1.3397 -1.2995 -1.2995 -1.2682 -1.2682 -1.2204 -1.2204 -1.1679 -1.1679 -1.0115 -1.0115 -1.0040 -1.0040 2.9467 2.9467 3.0993 3.0993 4.3608 4.3608 4.3685 4.3685 5.0571 5.0571 5.2221 5.2221 k = 0.0000 0.1085 0.3219 ( 32165 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4838 -25.4838 -25.4833 -25.4833 -25.4774 -25.4774 -25.4766 -25.4766 -10.2419 -10.2419 -10.2362 -10.2362 -10.1919 -10.1919 -10.1894 -10.1894 -9.4061 -9.4061 -9.4053 -9.4053 -9.3637 -9.3637 -9.3529 -9.3529 -9.3422 -9.3422 -9.3371 -9.3371 -9.2912 -9.2912 -9.2889 -9.2889 -3.6370 -3.6370 -3.6182 -3.6182 -3.1688 -3.1688 -3.1158 -3.1158 -1.3923 -1.3923 -1.3302 -1.3302 -1.3002 -1.3002 -1.2671 -1.2671 -1.2261 -1.2261 -1.1649 -1.1649 -1.0182 -1.0182 -1.0090 -1.0090 2.9511 2.9511 3.1329 3.1329 4.3317 4.3317 4.3422 4.3422 5.0601 5.0601 5.2573 5.2573 k = 0.0000 0.1266 0.3219 ( 32174 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4838 -25.4838 -25.4832 -25.4832 -25.4776 -25.4776 -25.4767 -25.4767 -10.2415 -10.2415 -10.2348 -10.2348 -10.1930 -10.1930 -10.1901 -10.1901 -9.4043 -9.4043 -9.4035 -9.4035 -9.3648 -9.3648 -9.3529 -9.3529 -9.3423 -9.3423 -9.3364 -9.3364 -9.2934 -9.2934 -9.2907 -9.2907 -3.6288 -3.6288 -3.6083 -3.6083 -3.1830 -3.1830 -3.1182 -3.1182 -1.3920 -1.3920 -1.3201 -1.3201 -1.2997 -1.2997 -1.2671 -1.2671 -1.2315 -1.2315 -1.1627 -1.1627 -1.0259 -1.0259 -1.0148 -1.0148 2.9591 2.9591 3.1693 3.1693 4.2978 4.2978 4.3124 4.3124 5.0667 5.0667 5.2958 5.2958 k = 0.0000 0.1447 0.3219 ( 32167 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4837 -25.4837 -25.4830 -25.4830 -25.4778 -25.4778 -25.4768 -25.4768 -10.2410 -10.2410 -10.2333 -10.2333 -10.1942 -10.1942 -10.1908 -10.1908 -9.4022 -9.4022 -9.4014 -9.4014 -9.3659 -9.3659 -9.3530 -9.3530 -9.3424 -9.3424 -9.3356 -9.3356 -9.2958 -9.2958 -9.2928 -9.2928 -3.6191 -3.6191 -3.5975 -3.5975 -3.1990 -3.1990 -3.1211 -3.1211 -1.3908 -1.3908 -1.3097 -1.3097 -1.2977 -1.2977 -1.2683 -1.2683 -1.2366 -1.2366 -1.1611 -1.1611 -1.0345 -1.0345 -1.0214 -1.0214 2.9705 2.9705 3.2083 3.2083 4.2595 4.2595 4.2796 4.2796 5.0769 5.0769 5.3374 5.3374 k = 0.0000 0.1628 0.3219 ( 32166 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4835 -25.4835 -25.4828 -25.4828 -25.4780 -25.4780 -25.4768 -25.4768 -10.2403 -10.2403 -10.2316 -10.2316 -10.1954 -10.1954 -10.1917 -10.1917 -9.3998 -9.3998 -9.3991 -9.3991 -9.3669 -9.3669 -9.3533 -9.3533 -9.3424 -9.3424 -9.3348 -9.3348 -9.2985 -9.2985 -9.2952 -9.2952 -3.6079 -3.6079 -3.5858 -3.5858 -3.2167 -3.2167 -3.1244 -3.1244 -1.3889 -1.3889 -1.2998 -1.2998 -1.2934 -1.2934 -1.2706 -1.2706 -1.2413 -1.2413 -1.1603 -1.1603 -1.0440 -1.0440 -1.0285 -1.0285 2.9855 2.9855 3.2499 3.2499 4.2170 4.2170 4.2444 4.2444 5.0906 5.0906 5.3821 5.3821 k = 0.0000 0.1809 0.3219 ( 32194 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4834 -25.4834 -25.4826 -25.4826 -25.4782 -25.4782 -25.4770 -25.4770 -10.2395 -10.2395 -10.2298 -10.2298 -10.1968 -10.1968 -10.1927 -10.1927 -9.3973 -9.3973 -9.3966 -9.3966 -9.3679 -9.3679 -9.3539 -9.3539 -9.3425 -9.3425 -9.3339 -9.3339 -9.3013 -9.3013 -9.2978 -9.2978 -3.5951 -3.5951 -3.5735 -3.5735 -3.2361 -3.2361 -3.1282 -3.1282 -1.3862 -1.3862 -1.2931 -1.2931 -1.2851 -1.2851 -1.2734 -1.2734 -1.2456 -1.2456 -1.1603 -1.1603 -1.0543 -1.0543 -1.0360 -1.0360 3.0037 3.0037 3.2938 3.2938 4.1704 4.1704 4.2075 4.2075 5.1079 5.1079 5.4297 5.4297 k = 0.0000 0.1990 0.3219 ( 32188 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4833 -25.4833 -25.4824 -25.4824 -25.4784 -25.4784 -25.4771 -25.4771 -10.2387 -10.2387 -10.2279 -10.2279 -10.1983 -10.1983 -10.1938 -10.1938 -9.3946 -9.3946 -9.3939 -9.3939 -9.3687 -9.3687 -9.3545 -9.3545 -9.3426 -9.3426 -9.3329 -9.3329 -9.3043 -9.3043 -9.3006 -9.3006 -3.5809 -3.5809 -3.5606 -3.5606 -3.2571 -3.2571 -3.1321 -3.1321 -1.3827 -1.3827 -1.2882 -1.2882 -1.2815 -1.2815 -1.2697 -1.2697 -1.2492 -1.2492 -1.1610 -1.1610 -1.0653 -1.0653 -1.0439 -1.0439 3.0252 3.0252 3.3399 3.3399 4.1200 4.1200 4.1693 4.1693 5.1287 5.1287 5.4800 5.4800 k = 0.0000 0.2170 0.3219 ( 32189 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4831 -25.4831 -25.4821 -25.4821 -25.4787 -25.4787 -25.4772 -25.4772 -10.2377 -10.2377 -10.2259 -10.2259 -10.1999 -10.1999 -10.1950 -10.1950 -9.3920 -9.3920 -9.3909 -9.3909 -9.3694 -9.3694 -9.3553 -9.3553 -9.3427 -9.3427 -9.3319 -9.3319 -9.3073 -9.3073 -9.3036 -9.3036 -3.5653 -3.5653 -3.5473 -3.5473 -3.2795 -3.2795 -3.1363 -3.1363 -1.3786 -1.3786 -1.2901 -1.2901 -1.2792 -1.2792 -1.2589 -1.2589 -1.2509 -1.2509 -1.1625 -1.1625 -1.0769 -1.0769 -1.0519 -1.0519 3.0498 3.0498 3.3879 3.3879 4.0661 4.0661 4.1305 4.1305 5.1529 5.1529 5.5325 5.5325 k = 0.0000 0.2351 0.3219 ( 32193 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4829 -25.4829 -25.4819 -25.4819 -25.4790 -25.4790 -25.4774 -25.4774 -10.2367 -10.2367 -10.2238 -10.2238 -10.2016 -10.2016 -10.1963 -10.1963 -9.3895 -9.3895 -9.3876 -9.3876 -9.3700 -9.3700 -9.3561 -9.3561 -9.3430 -9.3430 -9.3309 -9.3309 -9.3103 -9.3103 -9.3067 -9.3067 -3.5483 -3.5483 -3.5338 -3.5338 -3.3032 -3.3032 -3.1407 -3.1407 -1.3739 -1.3739 -1.2981 -1.2981 -1.2741 -1.2741 -1.2533 -1.2533 -1.2438 -1.2438 -1.1646 -1.1646 -1.0892 -1.0892 -1.0599 -1.0599 3.0774 3.0774 3.4376 3.4376 4.0089 4.0089 4.0915 4.0915 5.1805 5.1805 5.5851 5.5851 k = 0.0000 0.2532 0.3219 ( 32182 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4828 -25.4828 -25.4816 -25.4816 -25.4792 -25.4792 -25.4775 -25.4775 -10.2356 -10.2356 -10.2216 -10.2216 -10.2033 -10.2033 -10.1977 -10.1977 -9.3872 -9.3872 -9.3841 -9.3841 -9.3702 -9.3702 -9.3568 -9.3568 -9.3435 -9.3435 -9.3300 -9.3300 -9.3132 -9.3132 -9.3099 -9.3099 -3.5300 -3.5300 -3.5203 -3.5203 -3.3279 -3.3279 -3.1451 -3.1451 -1.3686 -1.3686 -1.3085 -1.3085 -1.2713 -1.2713 -1.2480 -1.2480 -1.2314 -1.2314 -1.1672 -1.1672 -1.1018 -1.1018 -1.0677 -1.0677 3.1077 3.1077 3.4888 3.4888 3.9488 3.9488 4.0528 4.0528 5.2113 5.2113 5.6256 5.6256 k = 0.0000 0.2713 0.3219 ( 32168 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4826 -25.4826 -25.4814 -25.4814 -25.4795 -25.4795 -25.4777 -25.4777 -10.2345 -10.2345 -10.2193 -10.2193 -10.2051 -10.2051 -10.1992 -10.1992 -9.3854 -9.3854 -9.3805 -9.3805 -9.3701 -9.3701 -9.3575 -9.3575 -9.3442 -9.3442 -9.3292 -9.3292 -9.3157 -9.3157 -9.3132 -9.3132 -3.5104 -3.5104 -3.5072 -3.5072 -3.3532 -3.3532 -3.1495 -3.1495 -1.3628 -1.3628 -1.3208 -1.3208 -1.2711 -1.2711 -1.2384 -1.2384 -1.2192 -1.2192 -1.1697 -1.1697 -1.1148 -1.1148 -1.0752 -1.0752 3.1408 3.1408 3.5413 3.5413 3.8861 3.8861 4.0149 4.0149 5.2451 5.2451 5.6271 5.6271 k = 0.0000 0.2894 0.3219 ( 32174 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4824 -25.4824 -25.4811 -25.4811 -25.4798 -25.4798 -25.4779 -25.4779 -10.2333 -10.2333 -10.2171 -10.2171 -10.2069 -10.2069 -10.2008 -10.2008 -9.3841 -9.3841 -9.3767 -9.3767 -9.3697 -9.3697 -9.3578 -9.3578 -9.3453 -9.3453 -9.3287 -9.3287 -9.3177 -9.3177 -9.3165 -9.3165 -3.4952 -3.4952 -3.4898 -3.4898 -3.3784 -3.3784 -3.1539 -3.1539 -1.3564 -1.3564 -1.3351 -1.3351 -1.2717 -1.2717 -1.2262 -1.2262 -1.2088 -1.2088 -1.1711 -1.1711 -1.1281 -1.1281 -1.0820 -1.0820 3.1763 3.1763 3.5948 3.5948 3.8211 3.8211 3.9782 3.9782 5.2814 5.2814 5.6138 5.6138 k = 0.0000 0.3075 0.3219 ( 32162 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4822 -25.4822 -25.4808 -25.4808 -25.4801 -25.4801 -25.4781 -25.4781 -10.2321 -10.2321 -10.2149 -10.2149 -10.2087 -10.2087 -10.2024 -10.2024 -9.3834 -9.3834 -9.3728 -9.3728 -9.3693 -9.3693 -9.3575 -9.3575 -9.3468 -9.3468 -9.3285 -9.3285 -9.3198 -9.3198 -9.3188 -9.3188 -3.4861 -3.4861 -3.4680 -3.4680 -3.4016 -3.4016 -3.1582 -3.1582 -1.3510 -1.3510 -1.3495 -1.3495 -1.2723 -1.2723 -1.2125 -1.2125 -1.2028 -1.2028 -1.1690 -1.1690 -1.1413 -1.1413 -1.0880 -1.0880 3.2140 3.2140 3.6489 3.6489 3.7543 3.7543 3.9432 3.9432 5.3198 5.3198 5.5992 5.5992 k = 0.0000 0.3256 0.3219 ( 32173 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4819 -25.4819 -25.4805 -25.4805 -25.4804 -25.4804 -25.4783 -25.4783 -10.2308 -10.2308 -10.2133 -10.2133 -10.2098 -10.2098 -10.2040 -10.2040 -9.3832 -9.3832 -9.3702 -9.3702 -9.3681 -9.3681 -9.3564 -9.3564 -9.3486 -9.3486 -9.3286 -9.3286 -9.3231 -9.3231 -9.3192 -9.3192 -3.4844 -3.4844 -3.4453 -3.4453 -3.4182 -3.4182 -3.1624 -3.1624 -1.3684 -1.3684 -1.3422 -1.3422 -1.2728 -1.2728 -1.2050 -1.2050 -1.1954 -1.1954 -1.1626 -1.1626 -1.1543 -1.1543 -1.0923 -1.0923 3.2539 3.2539 3.6859 3.6859 3.7029 3.7029 3.9110 3.9110 5.3595 5.3595 5.5856 5.5856 k = 0.0000 0.3256 0.3219 ( 32173 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4819 -25.4819 -25.4805 -25.4805 -25.4804 -25.4804 -25.4783 -25.4783 -10.2308 -10.2308 -10.2133 -10.2133 -10.2098 -10.2098 -10.2040 -10.2040 -9.3832 -9.3832 -9.3702 -9.3702 -9.3681 -9.3681 -9.3564 -9.3564 -9.3486 -9.3486 -9.3286 -9.3286 -9.3231 -9.3231 -9.3192 -9.3192 -3.4844 -3.4844 -3.4453 -3.4453 -3.4182 -3.4182 -3.1624 -3.1624 -1.3684 -1.3684 -1.3422 -1.3422 -1.2728 -1.2728 -1.2050 -1.2050 -1.1954 -1.1954 -1.1626 -1.1626 -1.1543 -1.1543 -1.0923 -1.0923 3.2539 3.2539 3.6859 3.6859 3.7029 3.7029 3.9110 3.9110 5.3595 5.3595 5.5856 5.5856 k = 0.0000 0.3335 0.3061 ( 32177 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4817 -25.4817 -25.4805 -25.4805 -25.4805 -25.4805 -25.4785 -25.4785 -10.2295 -10.2295 -10.2127 -10.2127 -10.2096 -10.2096 -10.2059 -10.2059 -9.3810 -9.3810 -9.3681 -9.3681 -9.3663 -9.3663 -9.3554 -9.3554 -9.3500 -9.3500 -9.3311 -9.3311 -9.3249 -9.3249 -9.3214 -9.3214 -3.4759 -3.4759 -3.4530 -3.4530 -3.4073 -3.4073 -3.1737 -3.1737 -1.3729 -1.3729 -1.3507 -1.3507 -1.2691 -1.2691 -1.1926 -1.1926 -1.1873 -1.1873 -1.1660 -1.1660 -1.1525 -1.1525 -1.1014 -1.1014 3.2945 3.2945 3.6763 3.6763 3.6905 3.6905 3.8693 3.8693 5.4187 5.4187 5.6033 5.6033 k = 0.0000 0.3415 0.2902 ( 32182 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4815 -25.4815 -25.4805 -25.4805 -25.4805 -25.4805 -25.4787 -25.4787 -10.2281 -10.2281 -10.2121 -10.2121 -10.2095 -10.2095 -10.2077 -10.2077 -9.3787 -9.3787 -9.3660 -9.3660 -9.3648 -9.3648 -9.3544 -9.3544 -9.3510 -9.3510 -9.3336 -9.3336 -9.3267 -9.3267 -9.3235 -9.3235 -3.4731 -3.4731 -3.4597 -3.4597 -3.3908 -3.3908 -3.1857 -3.1857 -1.3773 -1.3773 -1.3595 -1.3595 -1.2632 -1.2632 -1.1842 -1.1842 -1.1781 -1.1781 -1.1701 -1.1701 -1.1504 -1.1504 -1.1094 -1.1094 3.3351 3.3351 3.6679 3.6679 3.6789 3.6789 3.8283 3.8283 5.4799 5.4799 5.6246 5.6246 k = 0.0000 0.3494 0.2744 ( 32192 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4812 -25.4812 -25.4805 -25.4805 -25.4805 -25.4805 -25.4789 -25.4789 -10.2267 -10.2267 -10.2117 -10.2117 -10.2097 -10.2097 -10.2092 -10.2092 -9.3765 -9.3765 -9.3640 -9.3640 -9.3636 -9.3636 -9.3540 -9.3540 -9.3510 -9.3510 -9.3361 -9.3361 -9.3285 -9.3285 -9.3256 -9.3256 -3.4733 -3.4733 -3.4653 -3.4653 -3.3716 -3.3716 -3.1984 -3.1984 -1.3813 -1.3813 -1.3678 -1.3678 -1.2562 -1.2562 -1.1800 -1.1800 -1.1732 -1.1732 -1.1694 -1.1694 -1.1480 -1.1480 -1.1163 -1.1163 3.3756 3.3756 3.6609 3.6609 3.6681 3.6681 3.7879 3.7879 5.5426 5.5426 5.6493 5.6493 k = 0.0000 0.3574 0.2585 ( 32186 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4810 -25.4810 -25.4805 -25.4805 -25.4805 -25.4805 -25.4791 -25.4791 -10.2252 -10.2252 -10.2120 -10.2120 -10.2107 -10.2107 -10.2092 -10.2092 -9.3743 -9.3743 -9.3630 -9.3630 -9.3620 -9.3620 -9.3540 -9.3540 -9.3501 -9.3501 -9.3386 -9.3386 -9.3301 -9.3301 -9.3276 -9.3276 -3.4746 -3.4746 -3.4698 -3.4698 -3.3515 -3.3515 -3.2119 -3.2119 -1.3849 -1.3849 -1.3751 -1.3751 -1.2484 -1.2484 -1.1839 -1.1839 -1.1698 -1.1698 -1.1629 -1.1629 -1.1453 -1.1453 -1.1219 -1.1219 3.4159 3.4159 3.6554 3.6554 3.6580 3.6580 3.7487 3.7487 5.6060 5.6060 5.6771 5.6771 k = 0.0000 0.3653 0.2427 ( 32173 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4808 -25.4808 -25.4805 -25.4805 -25.4805 -25.4805 -25.4793 -25.4793 -10.2237 -10.2237 -10.2135 -10.2135 -10.2105 -10.2105 -10.2092 -10.2092 -9.3722 -9.3722 -9.3632 -9.3632 -9.3600 -9.3600 -9.3539 -9.3539 -9.3489 -9.3489 -9.3408 -9.3408 -9.3316 -9.3316 -9.3294 -9.3294 -3.4761 -3.4761 -3.4734 -3.4734 -3.3315 -3.3315 -3.2263 -3.2263 -1.3877 -1.3877 -1.3810 -1.3810 -1.2402 -1.2402 -1.1907 -1.1907 -1.1652 -1.1652 -1.1584 -1.1584 -1.1426 -1.1426 -1.1265 -1.1265 3.4560 3.4560 3.6474 3.6474 3.6516 3.6516 3.7114 3.7114 5.6684 5.6684 5.7074 5.7074 k = 0.0000 0.3733 0.2268 ( 32168 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4806 -25.4806 -25.4805 -25.4805 -25.4805 -25.4805 -25.4796 -25.4796 -10.2221 -10.2221 -10.2153 -10.2153 -10.2102 -10.2102 -10.2093 -10.2093 -9.3703 -9.3703 -9.3640 -9.3640 -9.3582 -9.3582 -9.3537 -9.3537 -9.3476 -9.3476 -9.3428 -9.3428 -9.3327 -9.3327 -9.3310 -9.3310 -3.4774 -3.4774 -3.4759 -3.4759 -3.3118 -3.3118 -3.2416 -3.2416 -1.3897 -1.3897 -1.3855 -1.3855 -1.2318 -1.2318 -1.1983 -1.1983 -1.1613 -1.1613 -1.1559 -1.1559 -1.1399 -1.1399 -1.1300 -1.1300 3.4958 3.4958 3.6328 3.6328 3.6497 3.6497 3.6800 3.6800 5.7258 5.7258 5.7386 5.7386 k = 0.0000 0.3812 0.2110 ( 32189 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4805 -25.4805 -25.4805 -25.4805 -25.4803 -25.4803 -25.4798 -25.4798 -10.2205 -10.2205 -10.2171 -10.2171 -10.2099 -10.2099 -10.2094 -10.2094 -9.3684 -9.3684 -9.3652 -9.3652 -9.3564 -9.3564 -9.3540 -9.3540 -9.3465 -9.3465 -9.3443 -9.3443 -9.3332 -9.3332 -9.3323 -9.3323 -3.4781 -3.4781 -3.4775 -3.4775 -3.2929 -3.2929 -3.2578 -3.2578 -1.3905 -1.3905 -1.3885 -1.3885 -1.2233 -1.2233 -1.2064 -1.2064 -1.1583 -1.1583 -1.1553 -1.1553 -1.1374 -1.1374 -1.1327 -1.1327 3.5349 3.5349 3.6074 3.6074 3.6499 3.6499 3.6611 3.6611 5.7654 5.7654 5.7703 5.7703 k = 0.0000 0.3892 0.1951 ( 32184 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4805 -25.4805 -25.4805 -25.4805 -25.4800 -25.4800 -25.4800 -25.4800 -10.2188 -10.2188 -10.2188 -10.2188 -10.2096 -10.2096 -10.2096 -10.2096 -9.3667 -9.3667 -9.3667 -9.3667 -9.3550 -9.3550 -9.3550 -9.3550 -9.3455 -9.3455 -9.3455 -9.3455 -9.3331 -9.3331 -9.3331 -9.3331 -3.4782 -3.4782 -3.4782 -3.4782 -3.2749 -3.2749 -3.2749 -3.2749 -1.3902 -1.3902 -1.3902 -1.3902 -1.2147 -1.2147 -1.2147 -1.2147 -1.1562 -1.1562 -1.1562 -1.1562 -1.1351 -1.1351 -1.1351 -1.1351 3.5728 3.5728 3.5728 3.5728 3.6530 3.6530 3.6530 3.6530 5.7821 5.7821 5.7821 5.7821 k = 0.0000 0.3892 0.1951 ( 32184 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4805 -25.4805 -25.4805 -25.4805 -25.4800 -25.4800 -25.4800 -25.4800 -10.2188 -10.2188 -10.2188 -10.2188 -10.2096 -10.2096 -10.2096 -10.2096 -9.3667 -9.3667 -9.3667 -9.3667 -9.3550 -9.3550 -9.3550 -9.3550 -9.3455 -9.3455 -9.3455 -9.3455 -9.3331 -9.3331 -9.3331 -9.3331 -3.4782 -3.4782 -3.4782 -3.4782 -3.2749 -3.2749 -3.2749 -3.2749 -1.3902 -1.3902 -1.3902 -1.3902 -1.2147 -1.2147 -1.2147 -1.2147 -1.1562 -1.1562 -1.1562 -1.1562 -1.1351 -1.1351 -1.1351 -1.1351 3.5728 3.5728 3.5728 3.5728 3.6530 3.6530 3.6530 3.6530 5.7821 5.7821 5.7821 5.7821 k = 0.0179 0.3892 0.1951 ( 32172 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4805 -25.4805 -25.4805 -25.4805 -25.4800 -25.4800 -25.4800 -25.4800 -10.2190 -10.2190 -10.2185 -10.2185 -10.2099 -10.2099 -10.2094 -10.2094 -9.3674 -9.3674 -9.3668 -9.3668 -9.3550 -9.3550 -9.3548 -9.3548 -9.3457 -9.3457 -9.3453 -9.3453 -9.3328 -9.3328 -9.3326 -9.3326 -3.4778 -3.4778 -3.4777 -3.4777 -3.2746 -3.2746 -3.2746 -3.2746 -1.3920 -1.3920 -1.3910 -1.3910 -1.2143 -1.2143 -1.2140 -1.2140 -1.1565 -1.1565 -1.1562 -1.1562 -1.1357 -1.1357 -1.1353 -1.1353 3.5735 3.5735 3.5736 3.5736 3.6540 3.6540 3.6540 3.6540 5.7639 5.7639 5.7665 5.7665 k = 0.0357 0.3892 0.1951 ( 32180 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4805 -25.4805 -25.4805 -25.4805 -25.4800 -25.4800 -25.4800 -25.4800 -10.2193 -10.2193 -10.2183 -10.2183 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-1.1387 -1.1387 -1.1376 -1.1376 3.5790 3.5790 3.5791 3.5791 3.6621 3.6621 3.6622 3.6622 5.6754 5.6754 5.6796 5.6796 k = 0.0714 0.3892 0.1951 ( 32184 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4805 -25.4805 -25.4805 -25.4805 -25.4800 -25.4800 -25.4800 -25.4800 -10.2200 -10.2200 -10.2180 -10.2180 -10.2111 -10.2111 -10.2091 -10.2091 -9.3724 -9.3724 -9.3704 -9.3704 -9.3574 -9.3574 -9.3562 -9.3562 -9.3444 -9.3444 -9.3433 -9.3433 -9.3293 -9.3293 -9.3283 -9.3283 -3.4709 -3.4709 -3.4703 -3.4703 -3.2707 -3.2707 -3.2707 -3.2707 -1.4107 -1.4107 -1.4072 -1.4072 -1.2080 -1.2080 -1.2074 -1.2074 -1.1596 -1.1596 -1.1589 -1.1589 -1.1407 -1.1407 -1.1392 -1.1392 3.5838 3.5838 3.5840 3.5840 3.6690 3.6690 3.6692 3.6692 5.6250 5.6250 5.6294 5.6294 k = 0.0893 0.3892 0.1951 ( 32180 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4805 -25.4805 -25.4805 -25.4805 -25.4800 -25.4800 -25.4800 -25.4800 -10.2204 -10.2204 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-1.1615 -1.1615 -1.1439 -1.1439 -1.1414 -1.1414 3.5974 3.5974 3.5977 3.5977 3.6882 3.6882 3.6884 3.6884 5.5272 5.5272 5.5313 5.5313 k = 0.1250 0.3892 0.1951 ( 32172 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4805 -25.4805 -25.4805 -25.4805 -25.4800 -25.4800 -25.4800 -25.4800 -10.2212 -10.2212 -10.2178 -10.2178 -10.2128 -10.2128 -10.2094 -10.2094 -9.3789 -9.3789 -9.3760 -9.3760 -9.3636 -9.3636 -9.3616 -9.3616 -9.3397 -9.3397 -9.3377 -9.3377 -9.3245 -9.3245 -9.3224 -9.3224 -3.4560 -3.4560 -3.4549 -3.4549 -3.2626 -3.2626 -3.2626 -3.2626 -1.4420 -1.4420 -1.4372 -1.4372 -1.2101 -1.2101 -1.2094 -1.2094 -1.1620 -1.1620 -1.1614 -1.1614 -1.1446 -1.1446 -1.1418 -1.1418 3.6061 3.6061 3.6064 3.6064 3.7000 3.7000 3.7004 3.7004 5.4815 5.4815 5.4854 5.4854 k = 0.1429 0.3892 0.1951 ( 32180 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4805 -25.4805 -25.4805 -25.4805 -25.4800 -25.4800 -25.4800 -25.4800 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-1.1599 -1.1599 -1.1579 -1.1579 -1.1437 -1.1437 -1.1410 -1.1410 3.6268 3.6268 3.6272 3.6272 3.7276 3.7276 3.7279 3.7279 5.3983 5.3983 5.4019 5.4019 k = 0.1786 0.3892 0.1951 ( 32168 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4805 -25.4805 -25.4805 -25.4805 -25.4800 -25.4800 -25.4800 -25.4800 -10.2225 -10.2225 -10.2178 -10.2178 -10.2148 -10.2148 -10.2101 -10.2101 -9.3852 -9.3852 -9.3818 -9.3818 -9.3708 -9.3708 -9.3683 -9.3683 -9.3343 -9.3343 -9.3310 -9.3310 -9.3201 -9.3201 -9.3167 -9.3167 -3.4338 -3.4338 -3.4325 -3.4325 -3.2520 -3.2520 -3.2519 -3.2519 -1.4769 -1.4769 -1.4718 -1.4718 -1.2369 -1.2369 -1.2352 -1.2352 -1.1587 -1.1587 -1.1555 -1.1555 -1.1420 -1.1420 -1.1397 -1.1397 3.6387 3.6387 3.6392 3.6392 3.7429 3.7429 3.7432 3.7432 5.3613 5.3613 5.3647 5.3647 k = 0.1964 0.3892 0.1951 ( 32166 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4804 -25.4804 -25.4804 -25.4804 -25.4800 -25.4800 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-1.2618 -1.2618 -1.1571 -1.1571 -1.1517 -1.1517 -1.1375 -1.1375 -1.1355 -1.1355 3.6649 3.6649 3.6654 3.6654 3.7754 3.7754 3.7758 3.7758 5.2971 5.2971 5.3002 5.3002 k = 0.2321 0.3892 0.1951 ( 32180 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4804 -25.4804 -25.4804 -25.4804 -25.4800 -25.4800 -25.4800 -25.4800 -10.2239 -10.2239 -10.2179 -10.2179 -10.2170 -10.2170 -10.2112 -10.2112 -9.3909 -9.3909 -9.3871 -9.3871 -9.3778 -9.3778 -9.3750 -9.3750 -9.3291 -9.3291 -9.3246 -9.3246 -9.3163 -9.3163 -9.3117 -9.3117 -3.4060 -3.4060 -3.4045 -3.4045 -3.2408 -3.2408 -3.2407 -3.2407 -1.5092 -1.5092 -1.5043 -1.5043 -1.2788 -1.2788 -1.2768 -1.2768 -1.1566 -1.1566 -1.1503 -1.1503 -1.1351 -1.1351 -1.1330 -1.1330 3.6788 3.6788 3.6794 3.6794 3.7923 3.7923 3.7926 3.7926 5.2700 5.2700 5.2729 5.2729 k = 0.2500 0.3892 0.1951 ( 32176 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4804 -25.4804 -25.4804 -25.4804 -25.4800 -25.4800 -25.4800 -25.4800 -10.2243 -10.2243 -10.2180 -10.2180 -10.2178 -10.2178 -10.2116 -10.2116 -9.3926 -9.3926 -9.3887 -9.3887 -9.3801 -9.3801 -9.3772 -9.3772 -9.3274 -9.3274 -9.3226 -9.3226 -9.3152 -9.3152 -9.3102 -9.3102 -3.3958 -3.3958 -3.3942 -3.3942 -3.2373 -3.2373 -3.2372 -3.2372 -1.5186 -1.5186 -1.5139 -1.5139 -1.2946 -1.2946 -1.2926 -1.2926 -1.1561 -1.1561 -1.1491 -1.1491 -1.1329 -1.1329 -1.1305 -1.1305 3.6931 3.6931 3.6937 3.6937 3.8093 3.8093 3.8096 3.8096 5.2464 5.2464 5.2492 5.2492 k = 0.2679 0.3892 0.1951 ( 32166 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4804 -25.4804 -25.4804 -25.4804 -25.4800 -25.4800 -25.4800 -25.4800 -10.2247 -10.2247 -10.2186 -10.2186 -10.2181 -10.2181 -10.2120 -10.2120 -9.3942 -9.3942 -9.3902 -9.3902 -9.3823 -9.3823 -9.3793 -9.3793 -9.3258 -9.3258 -9.3206 -9.3206 -9.3142 -9.3142 -9.3088 -9.3088 -3.3853 -3.3853 -3.3836 -3.3836 -3.2342 -3.2342 -3.2340 -3.2340 -1.5271 -1.5271 -1.5225 -1.5225 -1.3111 -1.3111 -1.3090 -1.3090 -1.1556 -1.1556 -1.1481 -1.1481 -1.1310 -1.1310 -1.1282 -1.1282 3.7075 3.7075 3.7082 3.7082 3.8262 3.8262 3.8264 3.8264 5.2263 5.2263 5.2289 5.2289 k = 0.2857 0.3892 0.1951 ( 32172 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4803 -25.4803 -25.4803 -25.4803 -25.4800 -25.4800 -25.4800 -25.4800 -10.2250 -10.2250 -10.2193 -10.2193 -10.2181 -10.2181 -10.2125 -10.2125 -9.3957 -9.3957 -9.3916 -9.3916 -9.3843 -9.3843 -9.3813 -9.3813 -9.3243 -9.3243 -9.3187 -9.3187 -9.3133 -9.3133 -9.3076 -9.3076 -3.3744 -3.3744 -3.3727 -3.3727 -3.2314 -3.2314 -3.2313 -3.2313 -1.5346 -1.5346 -1.5301 -1.5301 -1.3279 -1.3279 -1.3258 -1.3258 -1.1550 -1.1550 -1.1471 -1.1471 -1.1295 -1.1295 -1.1262 -1.1262 3.7220 3.7220 3.7227 3.7227 3.8427 3.8427 3.8429 3.8429 5.2096 5.2096 5.2121 5.2121 k = 0.3036 0.3892 0.1951 ( 32166 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4803 -25.4803 -25.4803 -25.4803 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-1.5418 -1.3623 -1.3623 -1.3601 -1.3601 -1.1535 -1.1535 -1.1449 -1.1449 -1.1278 -1.1278 -1.1234 -1.1234 3.7500 3.7500 3.7508 3.7508 3.8742 3.8742 3.8742 3.8742 5.1866 5.1866 5.1889 5.1889 k = 0.3393 0.3892 0.1951 ( 32156 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4803 -25.4803 -25.4803 -25.4803 -25.4800 -25.4800 -25.4800 -25.4800 -10.2260 -10.2260 -10.2215 -10.2215 -10.2183 -10.2183 -10.2139 -10.2139 -9.3994 -9.3994 -9.3951 -9.3951 -9.3899 -9.3899 -9.3869 -9.3869 -9.3202 -9.3202 -9.3138 -9.3138 -9.3113 -9.3113 -9.3045 -9.3045 -3.3412 -3.3412 -3.3395 -3.3395 -3.2264 -3.2264 -3.2262 -3.2262 -1.5496 -1.5496 -1.5457 -1.5457 -1.3795 -1.3795 -1.3773 -1.3773 -1.1526 -1.1526 -1.1436 -1.1436 -1.1276 -1.1276 -1.1226 -1.1226 3.7632 3.7632 3.7640 3.7640 3.8886 3.8886 3.8886 3.8886 5.1803 5.1803 5.1825 5.1825 k = 0.3571 0.3892 0.1951 ( 32166 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4802 -25.4802 -25.4802 -25.4802 -25.4800 -25.4800 -25.4800 -25.4800 -10.2262 -10.2262 -10.2222 -10.2222 -10.2183 -10.2183 -10.2144 -10.2144 -9.4003 -9.4003 -9.3961 -9.3961 -9.3915 -9.3915 -9.3885 -9.3885 -9.3190 -9.3190 -9.3123 -9.3123 -9.3108 -9.3108 -9.3037 -9.3037 -3.3302 -3.3302 -3.3285 -3.3285 -3.2261 -3.2261 -3.2258 -3.2258 -1.5519 -1.5519 -1.5483 -1.5483 -1.3965 -1.3965 -1.3942 -1.3942 -1.1515 -1.1515 -1.1423 -1.1423 -1.1277 -1.1277 -1.1222 -1.1222 3.7756 3.7756 3.7764 3.7764 3.9020 3.9020 3.9020 3.9020 5.1774 5.1774 5.1794 5.1794 k = 0.3750 0.3892 0.1951 ( 32166 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4802 -25.4802 -25.4802 -25.4802 -25.4800 -25.4800 -25.4800 -25.4800 -10.2264 -10.2264 -10.2229 -10.2229 -10.2183 -10.2183 -10.2148 -10.2148 -9.4011 -9.4011 -9.3968 -9.3968 -9.3930 -9.3930 -9.3899 -9.3899 -9.3179 -9.3179 -9.3110 -9.3110 -9.3104 -9.3104 -9.3030 -9.3030 -3.3194 -3.3194 -3.3177 -3.3177 -3.2265 -3.2265 -3.2262 -3.2262 -1.5528 -1.5528 -1.5494 -1.5494 -1.4131 -1.4131 -1.4108 -1.4108 -1.1502 -1.1502 -1.1409 -1.1409 -1.1282 -1.1282 -1.1222 -1.1222 3.7871 3.7871 3.7879 3.7879 3.9141 3.9141 3.9142 3.9142 5.1778 5.1778 5.1798 5.1798 k = 0.3929 0.3892 0.1951 ( 32156 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4802 -25.4802 -25.4802 -25.4802 -25.4800 -25.4800 -25.4800 -25.4800 -10.2265 -10.2265 -10.2235 -10.2235 -10.2183 -10.2183 -10.2152 -10.2152 -9.4018 -9.4018 -9.3975 -9.3975 -9.3943 -9.3943 -9.3913 -9.3913 -9.3169 -9.3169 -9.3101 -9.3101 -9.3098 -9.3098 -9.3024 -9.3024 -3.3089 -3.3089 -3.3072 -3.3072 -3.2277 -3.2277 -3.2273 -3.2273 -1.5523 -1.5523 -1.5490 -1.5490 -1.4291 -1.4291 -1.4268 -1.4268 -1.1488 -1.1488 -1.1395 -1.1395 -1.1290 -1.1290 -1.1225 -1.1225 3.7974 3.7974 3.7982 3.7982 3.9249 3.9249 3.9251 3.9251 5.1814 5.1814 5.1833 5.1833 k = 0.4107 0.3892 0.1951 ( 32168 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4802 -25.4802 -25.4802 -25.4802 -25.4800 -25.4800 -25.4800 -25.4800 -10.2266 -10.2266 -10.2240 -10.2240 -10.2182 -10.2182 -10.2157 -10.2157 -9.4024 -9.4024 -9.3980 -9.3980 -9.3954 -9.3954 -9.3925 -9.3925 -9.3160 -9.3160 -9.3099 -9.3099 -9.3088 -9.3088 -9.3020 -9.3020 -3.2987 -3.2987 -3.2970 -3.2970 -3.2298 -3.2298 -3.2294 -3.2294 -1.5504 -1.5504 -1.5473 -1.5473 -1.4445 -1.4445 -1.4421 -1.4421 -1.1473 -1.1473 -1.1379 -1.1379 -1.1301 -1.1301 -1.1232 -1.1232 3.8064 3.8064 3.8072 3.8072 3.9342 3.9342 3.9345 3.9345 5.1883 5.1883 5.1901 5.1901 k = 0.4286 0.3892 0.1951 ( 32168 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4802 -25.4802 -25.4802 -25.4802 -25.4800 -25.4800 -25.4800 -25.4800 -10.2266 -10.2266 -10.2245 -10.2245 -10.2181 -10.2181 -10.2160 -10.2160 -9.4028 -9.4028 -9.3984 -9.3984 -9.3964 -9.3964 -9.3935 -9.3935 -9.3153 -9.3153 -9.3098 -9.3098 -9.3080 -9.3080 -9.3016 -9.3016 -3.2891 -3.2891 -3.2874 -3.2874 -3.2327 -3.2327 -3.2322 -3.2322 -1.5472 -1.5472 -1.5442 -1.5442 -1.4588 -1.4588 -1.4564 -1.4564 -1.1456 -1.1456 -1.1363 -1.1363 -1.1315 -1.1315 -1.1240 -1.1240 3.8140 3.8140 3.8148 3.8148 3.9420 3.9420 3.9423 3.9423 5.1982 5.1982 5.1999 5.1999 k = 0.4464 0.3892 0.1951 ( 32166 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4801 -25.4801 -25.4801 -25.4801 -25.4801 -25.4801 -25.4801 -25.4801 -10.2266 -10.2266 -10.2250 -10.2250 -10.2180 -10.2180 -10.2164 -10.2164 -9.4031 -9.4031 -9.3987 -9.3987 -9.3972 -9.3972 -9.3943 -9.3943 -9.3146 -9.3146 -9.3097 -9.3097 -9.3073 -9.3073 -9.3014 -9.3014 -3.2800 -3.2800 -3.2784 -3.2784 -3.2363 -3.2363 -3.2359 -3.2359 -1.5428 -1.5428 -1.5400 -1.5400 -1.4720 -1.4720 -1.4695 -1.4695 -1.1439 -1.1439 -1.1346 -1.1346 -1.1330 -1.1330 -1.1252 -1.1252 3.8200 3.8200 3.8208 3.8208 3.9481 3.9481 3.9485 3.9485 5.2111 5.2111 5.2128 5.2128 k = 0.4643 0.3892 0.1951 ( 32184 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4801 -25.4801 -25.4801 -25.4801 -25.4801 -25.4801 -25.4801 -25.4801 -10.2265 -10.2265 -10.2254 -10.2254 -10.2179 -10.2179 -10.2167 -10.2167 -9.4033 -9.4033 -9.3988 -9.3988 -9.3978 -9.3978 -9.3949 -9.3949 -9.3142 -9.3142 -9.3097 -9.3097 -9.3067 -9.3067 -9.3012 -9.3012 -3.2719 -3.2719 -3.2701 -3.2701 -3.2406 -3.2406 -3.2402 -3.2402 -1.5378 -1.5378 -1.5352 -1.5352 -1.4834 -1.4834 -1.4808 -1.4808 -1.1421 -1.1421 -1.1346 -1.1346 -1.1329 -1.1329 -1.1265 -1.1265 3.8243 3.8243 3.8251 3.8251 3.9525 3.9525 3.9529 3.9529 5.2270 5.2270 5.2285 5.2285 k = 0.4821 0.3892 0.1951 ( 32182 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4801 -25.4801 -25.4801 -25.4801 -25.4801 -25.4801 -25.4801 -25.4801 -10.2264 -10.2264 -10.2257 -10.2257 -10.2177 -10.2177 -10.2169 -10.2169 -9.4035 -9.4035 -9.3989 -9.3989 -9.3981 -9.3981 -9.3953 -9.3953 -9.3139 -9.3139 -9.3097 -9.3097 -9.3064 -9.3064 -9.3011 -9.3011 -3.2652 -3.2652 -3.2632 -3.2632 -3.2450 -3.2450 -3.2447 -3.2447 -1.5331 -1.5331 -1.5306 -1.5306 -1.4919 -1.4919 -1.4892 -1.4892 -1.1403 -1.1403 -1.1363 -1.1363 -1.1313 -1.1313 -1.1279 -1.1279 3.8270 3.8270 3.8278 3.8278 3.9552 3.9552 3.9556 3.9556 5.2456 5.2456 5.2469 5.2469 k = 0.5000 0.3892 0.1951 ( 32196 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4801 -25.4801 -25.4801 -25.4801 -25.4801 -25.4801 -25.4801 -25.4801 -10.2263 -10.2263 -10.2258 -10.2258 -10.2177 -10.2177 -10.2170 -10.2170 -9.4035 -9.4035 -9.3990 -9.3990 -9.3982 -9.3982 -9.3954 -9.3954 -9.3137 -9.3137 -9.3097 -9.3097 -9.3063 -9.3063 -9.3011 -9.3011 -3.2620 -3.2620 -3.2598 -3.2598 -3.2474 -3.2474 -3.2473 -3.2473 -1.5310 -1.5310 -1.5286 -1.5286 -1.4953 -1.4953 -1.4925 -1.4925 -1.1391 -1.1391 -1.1376 -1.1376 -1.1300 -1.1300 -1.1291 -1.1291 3.8279 3.8279 3.8287 3.8287 3.9561 3.9561 3.9565 3.9565 5.2644 5.2644 5.2647 5.2647 k = 0.5000 0.3892 0.1951 ( 32196 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4801 -25.4801 -25.4801 -25.4801 -25.4801 -25.4801 -25.4801 -25.4801 -10.2263 -10.2263 -10.2258 -10.2258 -10.2177 -10.2177 -10.2170 -10.2170 -9.4035 -9.4035 -9.3990 -9.3990 -9.3982 -9.3982 -9.3954 -9.3954 -9.3137 -9.3137 -9.3097 -9.3097 -9.3063 -9.3063 -9.3011 -9.3011 -3.2620 -3.2620 -3.2598 -3.2598 -3.2474 -3.2474 -3.2473 -3.2473 -1.5310 -1.5310 -1.5286 -1.5286 -1.4953 -1.4953 -1.4925 -1.4925 -1.1391 -1.1391 -1.1376 -1.1376 -1.1300 -1.1300 -1.1291 -1.1291 3.8279 3.8279 3.8287 3.8287 3.9561 3.9561 3.9565 3.9565 5.2644 5.2644 5.2647 5.2647 k = 0.5000 0.3971 0.1793 ( 32172 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4802 -25.4802 -25.4802 -25.4802 -25.4800 -25.4800 -25.4800 -25.4800 -10.2264 -10.2264 -10.2258 -10.2258 -10.2176 -10.2176 -10.2170 -10.2170 -9.4035 -9.4035 -9.3989 -9.3989 -9.3984 -9.3984 -9.3953 -9.3953 -9.3139 -9.3139 -9.3100 -9.3100 -9.3061 -9.3061 -9.3008 -9.3008 -3.2649 -3.2649 -3.2631 -3.2631 -3.2444 -3.2444 -3.2440 -3.2440 -1.5421 -1.5421 -1.5407 -1.5407 -1.4828 -1.4828 -1.4810 -1.4810 -1.1400 -1.1400 -1.1385 -1.1385 -1.1293 -1.1293 -1.1284 -1.1284 3.8270 3.8270 3.8278 3.8278 3.9566 3.9566 3.9570 3.9570 5.2113 5.2113 5.2125 5.2125 k = 0.5000 0.4051 0.1634 ( 32184 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4803 -25.4803 -25.4803 -25.4803 -25.4799 -25.4799 -25.4799 -25.4799 -10.2265 -10.2265 -10.2260 -10.2260 -10.2174 -10.2174 -10.2169 -10.2169 -9.4036 -9.4036 -9.3988 -9.3988 -9.3988 -9.3988 -9.3950 -9.3950 -9.3145 -9.3145 -9.3107 -9.3107 -9.3054 -9.3054 -9.3001 -9.3001 -3.2706 -3.2706 -3.2691 -3.2691 -3.2386 -3.2386 -3.2379 -3.2379 -1.5621 -1.5621 -1.5613 -1.5613 -1.4612 -1.4612 -1.4599 -1.4599 -1.1421 -1.1421 -1.1408 -1.1408 -1.1279 -1.1279 -1.1268 -1.1268 3.8244 3.8244 3.8251 3.8251 3.9583 3.9583 3.9586 3.9586 5.1587 5.1587 5.1601 5.1601 k = 0.5000 0.4130 0.1476 ( 32172 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4804 -25.4804 -25.4804 -25.4804 -25.4797 -25.4797 -25.4797 -25.4797 -10.2267 -10.2267 -10.2263 -10.2263 -10.2172 -10.2172 -10.2167 -10.2167 -9.4037 -9.4037 -9.3994 -9.3994 -9.3987 -9.3987 -9.3946 -9.3946 -9.3152 -9.3152 -9.3117 -9.3117 -9.3044 -9.3044 -9.2991 -9.2991 -3.2768 -3.2768 -3.2755 -3.2755 -3.2322 -3.2322 -3.2313 -3.2313 -1.5832 -1.5832 -1.5827 -1.5827 -1.4382 -1.4382 -1.4370 -1.4370 -1.1448 -1.1448 -1.1436 -1.1436 -1.1263 -1.1263 -1.1251 -1.1251 3.8202 3.8202 3.8208 3.8208 3.9610 3.9610 3.9612 3.9612 5.1095 5.1095 5.1111 5.1111 k = 0.5000 0.4210 0.1317 ( 32180 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4806 -25.4806 -25.4806 -25.4806 -25.4796 -25.4796 -25.4796 -25.4796 -10.2270 -10.2270 -10.2266 -10.2266 -10.2169 -10.2169 -10.2164 -10.2164 -9.4038 -9.4038 -9.4001 -9.4001 -9.3985 -9.3985 -9.3942 -9.3942 -9.3160 -9.3160 -9.3129 -9.3129 -9.3033 -9.3033 -9.2979 -9.2979 -3.2828 -3.2828 -3.2817 -3.2817 -3.2259 -3.2259 -3.2250 -3.2250 -1.6039 -1.6039 -1.6035 -1.6035 -1.4150 -1.4150 -1.4138 -1.4138 -1.1477 -1.1477 -1.1467 -1.1467 -1.1250 -1.1250 -1.1236 -1.1236 3.8145 3.8145 3.8150 3.8150 3.9646 3.9646 3.9648 3.9648 5.0639 5.0639 5.0655 5.0655 k = 0.5000 0.4289 0.1158 ( 32172 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4807 -25.4807 -25.4807 -25.4807 -25.4795 -25.4795 -25.4795 -25.4795 -10.2274 -10.2274 -10.2270 -10.2270 -10.2165 -10.2165 -10.2161 -10.2161 -9.4039 -9.4039 -9.4008 -9.4008 -9.3983 -9.3983 -9.3938 -9.3938 -9.3168 -9.3168 -9.3141 -9.3141 -9.3020 -9.3020 -9.2966 -9.2966 -3.2884 -3.2884 -3.2874 -3.2874 -3.2201 -3.2201 -3.2191 -3.2191 -1.6237 -1.6237 -1.6233 -1.6233 -1.3920 -1.3920 -1.3908 -1.3908 -1.1508 -1.1508 -1.1500 -1.1500 -1.1240 -1.1240 -1.1224 -1.1224 3.8074 3.8074 3.8078 3.8078 3.9692 3.9692 3.9692 3.9692 5.0217 5.0217 5.0234 5.0234 k = 0.5000 0.4368 0.1000 ( 32184 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4808 -25.4808 -25.4808 -25.4808 -25.4794 -25.4794 -25.4794 -25.4794 -10.2277 -10.2277 -10.2275 -10.2275 -10.2161 -10.2161 -10.2158 -10.2158 -9.4041 -9.4041 -9.4016 -9.4016 -9.3980 -9.3980 -9.3934 -9.3934 -9.3176 -9.3176 -9.3154 -9.3154 -9.3007 -9.3007 -9.2954 -9.2954 -3.2935 -3.2935 -3.2926 -3.2926 -3.2148 -3.2148 -3.2138 -3.2138 -1.6421 -1.6421 -1.6418 -1.6418 -1.3696 -1.3696 -1.3683 -1.3683 -1.1539 -1.1539 -1.1532 -1.1532 -1.1235 -1.1235 -1.1218 -1.1218 3.7991 3.7991 3.7994 3.7994 3.9744 3.9744 3.9745 3.9745 4.9830 4.9830 4.9848 4.9848 k = 0.5000 0.4448 0.0841 ( 32178 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4809 -25.4809 -25.4809 -25.4809 -25.4793 -25.4793 -25.4793 -25.4793 -10.2282 -10.2282 -10.2280 -10.2280 -10.2156 -10.2156 -10.2154 -10.2154 -9.4043 -9.4043 -9.4025 -9.4025 -9.3977 -9.3977 -9.3930 -9.3930 -9.3184 -9.3184 -9.3167 -9.3167 -9.2994 -9.2994 -9.2941 -9.2941 -3.2979 -3.2979 -3.2972 -3.2972 -3.2102 -3.2102 -3.2093 -3.2093 -1.6591 -1.6591 -1.6589 -1.6589 -1.3478 -1.3478 -1.3463 -1.3463 -1.1569 -1.1569 -1.1565 -1.1565 -1.1235 -1.1235 -1.1216 -1.1216 3.7898 3.7898 3.7899 3.7899 3.9802 3.9802 3.9805 3.9805 4.9477 4.9477 4.9496 4.9496 k = 0.5000 0.4527 0.0683 ( 32178 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4810 -25.4810 -25.4810 -25.4810 -25.4792 -25.4792 -25.4792 -25.4792 -10.2286 -10.2286 -10.2285 -10.2285 -10.2152 -10.2152 -10.2150 -10.2150 -9.4045 -9.4045 -9.4033 -9.4033 -9.3973 -9.3973 -9.3926 -9.3926 -9.3191 -9.3191 -9.3180 -9.3180 -9.2981 -9.2981 -9.2929 -9.2929 -3.3017 -3.3017 -3.3011 -3.3011 -3.2065 -3.2065 -3.2056 -3.2056 -1.6744 -1.6744 -1.6742 -1.6742 -1.3269 -1.3269 -1.3252 -1.3252 -1.1600 -1.1600 -1.1597 -1.1597 -1.1242 -1.1242 -1.1220 -1.1220 3.7796 3.7796 3.7797 3.7797 3.9868 3.9868 3.9871 3.9871 4.9157 4.9157 4.9177 4.9177 k = 0.5000 0.4527 0.0683 ( 32178 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4810 -25.4810 -25.4810 -25.4810 -25.4792 -25.4792 -25.4792 -25.4792 -10.2286 -10.2286 -10.2285 -10.2285 -10.2152 -10.2152 -10.2150 -10.2150 -9.4045 -9.4045 -9.4033 -9.4033 -9.3973 -9.3973 -9.3926 -9.3926 -9.3191 -9.3191 -9.3180 -9.3180 -9.2981 -9.2981 -9.2929 -9.2929 -3.3017 -3.3017 -3.3011 -3.3011 -3.2065 -3.2065 -3.2056 -3.2056 -1.6744 -1.6744 -1.6742 -1.6742 -1.3269 -1.3269 -1.3252 -1.3252 -1.1600 -1.1600 -1.1597 -1.1597 -1.1242 -1.1242 -1.1220 -1.1220 3.7796 3.7796 3.7797 3.7797 3.9868 3.9868 3.9871 3.9871 4.9157 4.9157 4.9177 4.9177 k = 0.5000 0.4474 0.0520 ( 32198 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4811 -25.4811 -25.4811 -25.4811 -25.4791 -25.4791 -25.4791 -25.4791 -10.2294 -10.2294 -10.2293 -10.2293 -10.2146 -10.2146 -10.2144 -10.2144 -9.4060 -9.4060 -9.4050 -9.4050 -9.3970 -9.3970 -9.3926 -9.3926 -9.3194 -9.3194 -9.3183 -9.3183 -9.2956 -9.2956 -9.2908 -9.2908 -3.3018 -3.3018 -3.3012 -3.3012 -3.2057 -3.2057 -3.2049 -3.2049 -1.6904 -1.6904 -1.6902 -1.6902 -1.3106 -1.3106 -1.3090 -1.3090 -1.1594 -1.1594 -1.1593 -1.1593 -1.1251 -1.1251 -1.1229 -1.1229 3.7802 3.7802 3.7804 3.7804 4.0074 4.0074 4.0078 4.0078 4.8577 4.8577 4.8596 4.8596 k = 0.5000 0.4421 0.0358 ( 32196 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4812 -25.4812 -25.4812 -25.4812 -25.4789 -25.4789 -25.4789 -25.4789 -10.2302 -10.2302 -10.2302 -10.2302 -10.2140 -10.2140 -10.2139 -10.2139 -9.4075 -9.4075 -9.4066 -9.4066 -9.3967 -9.3967 -9.3926 -9.3926 -9.3196 -9.3196 -9.3186 -9.3186 -9.2932 -9.2932 -9.2889 -9.2889 -3.3018 -3.3018 -3.3014 -3.3014 -3.2050 -3.2050 -3.2043 -3.2043 -1.7054 -1.7054 -1.7053 -1.7053 -1.2952 -1.2952 -1.2935 -1.2935 -1.1595 -1.1595 -1.1594 -1.1594 -1.1255 -1.1255 -1.1232 -1.1232 3.7820 3.7820 3.7821 3.7821 4.0280 4.0280 4.0284 4.0284 4.8028 4.8028 4.8046 4.8046 k = 0.5000 0.4368 0.0195 ( 32212 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4814 -25.4814 -25.4814 -25.4814 -25.4788 -25.4788 -25.4788 -25.4788 -10.2310 -10.2310 -10.2310 -10.2310 -10.2135 -10.2135 -10.2134 -10.2134 -9.4090 -9.4090 -9.4082 -9.4082 -9.3964 -9.3964 -9.3927 -9.3927 -9.3197 -9.3197 -9.3188 -9.3188 -9.2909 -9.2909 -9.2870 -9.2870 -3.3019 -3.3019 -3.3015 -3.3015 -3.2044 -3.2044 -3.2037 -3.2037 -1.7194 -1.7194 -1.7193 -1.7193 -1.2806 -1.2806 -1.2790 -1.2790 -1.1602 -1.1602 -1.1601 -1.1601 -1.1253 -1.1253 -1.1230 -1.1230 3.7848 3.7848 3.7850 3.7850 4.0481 4.0481 4.0485 4.0485 4.7514 4.7514 4.7530 4.7530 k = 0.5000 0.4315 0.0033 ( 32214 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4815 -25.4815 -25.4815 -25.4815 -25.4787 -25.4787 -25.4787 -25.4787 -10.2317 -10.2317 -10.2317 -10.2317 -10.2130 -10.2130 -10.2129 -10.2129 -9.4104 -9.4104 -9.4097 -9.4097 -9.3961 -9.3961 -9.3929 -9.3929 -9.3198 -9.3198 -9.3190 -9.3190 -9.2887 -9.2887 -9.2853 -9.2853 -3.3020 -3.3020 -3.3016 -3.3016 -3.2039 -3.2039 -3.2033 -3.2033 -1.7321 -1.7321 -1.7320 -1.7320 -1.2670 -1.2670 -1.2655 -1.2655 -1.1615 -1.1615 -1.1614 -1.1614 -1.1245 -1.1245 -1.1224 -1.1224 3.7885 3.7885 3.7888 3.7888 4.0674 4.0674 4.0678 4.0678 4.7037 4.7037 4.7052 4.7052 k = 0.5000 0.4262-0.0130 ( 32202 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4816 -25.4816 -25.4816 -25.4816 -25.4786 -25.4786 -25.4786 -25.4786 -10.2324 -10.2324 -10.2324 -10.2324 -10.2126 -10.2126 -10.2125 -10.2125 -9.4117 -9.4117 -9.4111 -9.4111 -9.3959 -9.3959 -9.3930 -9.3930 -9.3198 -9.3198 -9.3191 -9.3191 -9.2867 -9.2867 -9.2837 -9.2837 -3.3020 -3.3020 -3.3017 -3.3017 -3.2034 -3.2034 -3.2029 -3.2029 -1.7436 -1.7436 -1.7435 -1.7435 -1.2545 -1.2545 -1.2531 -1.2531 -1.1633 -1.1633 -1.1632 -1.1632 -1.1234 -1.1234 -1.1214 -1.1214 3.7931 3.7931 3.7933 3.7933 4.0854 4.0854 4.0858 4.0858 4.6601 4.6601 4.6615 4.6615 k = 0.5000 0.4210-0.0293 ( 32222 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4817 -25.4817 -25.4817 -25.4817 -25.4785 -25.4785 -25.4785 -25.4785 -10.2330 -10.2330 -10.2330 -10.2330 -10.2122 -10.2122 -10.2121 -10.2121 -9.4128 -9.4128 -9.4123 -9.4123 -9.3956 -9.3956 -9.3932 -9.3932 -9.3198 -9.3198 -9.3192 -9.3192 -9.2848 -9.2848 -9.2822 -9.2822 -3.3021 -3.3021 -3.3017 -3.3017 -3.2030 -3.2030 -3.2025 -3.2025 -1.7537 -1.7537 -1.7536 -1.7536 -1.2431 -1.2431 -1.2418 -1.2418 -1.1654 -1.1654 -1.1654 -1.1654 -1.1220 -1.1220 -1.1202 -1.1202 3.7981 3.7981 3.7984 3.7984 4.1019 4.1019 4.1022 4.1022 4.6210 4.6210 4.6223 4.6223 k = 0.5000 0.4157-0.0455 ( 32226 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4817 -25.4817 -25.4817 -25.4817 -25.4785 -25.4785 -25.4785 -25.4785 -10.2336 -10.2336 -10.2335 -10.2335 -10.2118 -10.2118 -10.2118 -10.2118 -9.4138 -9.4138 -9.4134 -9.4134 -9.3954 -9.3954 -9.3934 -9.3934 -9.3198 -9.3198 -9.3193 -9.3193 -9.2832 -9.2832 -9.2810 -9.2810 -3.3021 -3.3021 -3.3018 -3.3018 -3.2026 -3.2026 -3.2022 -3.2022 -1.7624 -1.7624 -1.7623 -1.7623 -1.2329 -1.2329 -1.2317 -1.2317 -1.1679 -1.1679 -1.1679 -1.1679 -1.1205 -1.1205 -1.1190 -1.1190 3.8033 3.8033 3.8036 3.8036 4.1165 4.1165 4.1168 4.1168 4.5869 4.5869 4.5880 4.5880 k = 0.5000 0.4104-0.0618 ( 32220 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4818 -25.4818 -25.4818 -25.4818 -25.4784 -25.4784 -25.4784 -25.4784 -10.2340 -10.2340 -10.2340 -10.2340 -10.2116 -10.2116 -10.2115 -10.2115 -9.4147 -9.4147 -9.4144 -9.4144 -9.3952 -9.3952 -9.3936 -9.3936 -9.3197 -9.3197 -9.3193 -9.3193 -9.2818 -9.2818 -9.2800 -9.2800 -3.3021 -3.3021 -3.3019 -3.3019 -3.2024 -3.2024 -3.2020 -3.2020 -1.7696 -1.7696 -1.7695 -1.7695 -1.2240 -1.2240 -1.2229 -1.2229 -1.1707 -1.1707 -1.1707 -1.1707 -1.1191 -1.1191 -1.1178 -1.1178 3.8084 3.8084 3.8086 3.8086 4.1289 4.1289 4.1291 4.1291 4.5582 4.5582 4.5591 4.5591 k = 0.5000 0.4051-0.0780 ( 32228 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4818 -25.4818 -25.4818 -25.4818 -25.4783 -25.4783 -25.4783 -25.4783 -10.2344 -10.2344 -10.2344 -10.2344 -10.2113 -10.2113 -10.2113 -10.2113 -9.4153 -9.4153 -9.4151 -9.4151 -9.3950 -9.3950 -9.3938 -9.3938 -9.3196 -9.3196 -9.3193 -9.3193 -9.2806 -9.2806 -9.2793 -9.2793 -3.3021 -3.3021 -3.3019 -3.3019 -3.2021 -3.2021 -3.2019 -3.2019 -1.7752 -1.7752 -1.7752 -1.7752 -1.2163 -1.2163 -1.2154 -1.2154 -1.1736 -1.1736 -1.1735 -1.1735 -1.1178 -1.1178 -1.1168 -1.1168 3.8129 3.8129 3.8131 3.8131 4.1388 4.1388 4.1390 4.1390 4.5353 4.5353 4.5360 4.5360 k = 0.5000 0.3998-0.0943 ( 32224 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4819 -25.4819 -25.4819 -25.4819 -25.4783 -25.4783 -25.4783 -25.4783 -10.2346 -10.2346 -10.2346 -10.2346 -10.2112 -10.2112 -10.2112 -10.2112 -9.4158 -9.4158 -9.4156 -9.4156 -9.3948 -9.3948 -9.3940 -9.3940 -9.3196 -9.3196 -9.3194 -9.3194 -9.2797 -9.2797 -9.2788 -9.2788 -3.3021 -3.3021 -3.3020 -3.3020 -3.2020 -3.2020 -3.2018 -3.2018 -1.7793 -1.7793 -1.7792 -1.7792 -1.2100 -1.2100 -1.2093 -1.2093 -1.1764 -1.1764 -1.1763 -1.1763 -1.1168 -1.1168 -1.1161 -1.1161 3.8165 3.8165 3.8166 3.8166 4.1460 4.1460 4.1462 4.1462 4.5186 4.5186 4.5191 4.5191 k = 0.5000 0.3945-0.1106 ( 32202 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4819 -25.4819 -25.4819 -25.4819 -25.4783 -25.4783 -25.4783 -25.4783 -10.2348 -10.2348 -10.2348 -10.2348 -10.2111 -10.2111 -10.2111 -10.2111 -9.4161 -9.4161 -9.4160 -9.4160 -9.3946 -9.3946 -9.3942 -9.3942 -9.3195 -9.3195 -9.3194 -9.3194 -9.2791 -9.2791 -9.2786 -9.2786 -3.3021 -3.3021 -3.3020 -3.3020 -3.2018 -3.2018 -3.2018 -3.2018 -1.7817 -1.7817 -1.7817 -1.7817 -1.2056 -1.2056 -1.2053 -1.2053 -1.1787 -1.1787 -1.1785 -1.1785 -1.1160 -1.1160 -1.1157 -1.1157 3.8188 3.8188 3.8188 3.8188 4.1505 4.1505 4.1505 4.1505 4.5085 4.5085 4.5088 4.5088 k = 0.5000 0.3892-0.1268 ( 32208 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4819 -25.4819 -25.4819 -25.4819 -25.4783 -25.4783 -25.4783 -25.4783 -10.2348 -10.2348 -10.2348 -10.2348 -10.2110 -10.2110 -10.2110 -10.2110 -9.4161 -9.4161 -9.4161 -9.4161 -9.3944 -9.3944 -9.3944 -9.3944 -9.3195 -9.3195 -9.3195 -9.3195 -9.2787 -9.2787 -9.2787 -9.2787 -3.3021 -3.3021 -3.3021 -3.3021 -3.2018 -3.2018 -3.2018 -3.2018 -1.7825 -1.7825 -1.7825 -1.7825 -1.2039 -1.2039 -1.2039 -1.2039 -1.1795 -1.1795 -1.1795 -1.1795 -1.1157 -1.1157 -1.1157 -1.1157 3.8196 3.8196 3.8196 3.8196 4.1520 4.1520 4.1520 4.1520 4.5052 4.5052 4.5052 4.5052 k = 0.5000 0.3892-0.1268 ( 32208 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4819 -25.4819 -25.4819 -25.4819 -25.4783 -25.4783 -25.4783 -25.4783 -10.2348 -10.2348 -10.2348 -10.2348 -10.2110 -10.2110 -10.2110 -10.2110 -9.4161 -9.4161 -9.4161 -9.4161 -9.3944 -9.3944 -9.3944 -9.3944 -9.3195 -9.3195 -9.3195 -9.3195 -9.2787 -9.2787 -9.2787 -9.2787 -3.3021 -3.3021 -3.3021 -3.3021 -3.2018 -3.2018 -3.2018 -3.2018 -1.7825 -1.7825 -1.7825 -1.7825 -1.2039 -1.2039 -1.2039 -1.2039 -1.1795 -1.1795 -1.1795 -1.1795 -1.1157 -1.1157 -1.1157 -1.1157 3.8196 3.8196 3.8196 3.8196 4.1520 4.1520 4.1520 4.1520 4.5052 4.5052 4.5052 4.5052 k = 0.4821 0.3892-0.1268 ( 32220 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4819 -25.4819 -25.4819 -25.4819 -25.4783 -25.4783 -25.4783 -25.4783 -10.2349 -10.2349 -10.2347 -10.2347 -10.2111 -10.2111 -10.2109 -10.2109 -9.4164 -9.4164 -9.4157 -9.4157 -9.3945 -9.3945 -9.3941 -9.3941 -9.3199 -9.3199 -9.3191 -9.3191 -9.2790 -9.2790 -9.2785 -9.2785 -3.3034 -3.3034 -3.3000 -3.3000 -3.2065 -3.2065 -3.1999 -3.1999 -1.7842 -1.7842 -1.7767 -1.7767 -1.2075 -1.2075 -1.2014 -1.2014 -1.1817 -1.1817 -1.1779 -1.1779 -1.1177 -1.1177 -1.1132 -1.1132 3.8174 3.8174 3.8176 3.8176 4.1488 4.1488 4.1552 4.1552 4.4995 4.4995 4.5148 4.5148 k = 0.4643 0.3892-0.1268 ( 32212 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4819 -25.4819 -25.4819 -25.4819 -25.4783 -25.4783 -25.4783 -25.4783 -10.2349 -10.2349 -10.2346 -10.2346 -10.2110 -10.2110 -10.2108 -10.2108 -9.4166 -9.4166 -9.4152 -9.4152 -9.3945 -9.3945 -9.3937 -9.3937 -9.3205 -9.3205 -9.3188 -9.3188 -9.2794 -9.2794 -9.2785 -9.2785 -3.3041 -3.3041 -3.2973 -3.2973 -3.2141 -3.2141 -3.2009 -3.2009 -1.7819 -1.7819 -1.7671 -1.7671 -1.2119 -1.2119 -1.2007 -1.2007 -1.1836 -1.1836 -1.1771 -1.1771 -1.1193 -1.1193 -1.1104 -1.1104 3.8112 3.8112 3.8117 3.8117 4.1457 4.1457 4.1584 4.1584 4.4976 4.4976 4.5280 4.5280 k = 0.4464 0.3892-0.1268 ( 32200 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4819 -25.4819 -25.4819 -25.4819 -25.4783 -25.4783 -25.4783 -25.4783 -10.2350 -10.2350 -10.2344 -10.2344 -10.2110 -10.2110 -10.2106 -10.2106 -9.4167 -9.4167 -9.4145 -9.4145 -9.3942 -9.3942 -9.3931 -9.3931 -9.3211 -9.3211 -9.3185 -9.3185 -9.2800 -9.2800 -9.2785 -9.2785 -3.3042 -3.3042 -3.2939 -3.2939 -3.2243 -3.2243 -3.2047 -3.2047 -1.7755 -1.7755 -1.7537 -1.7537 -1.2170 -1.2170 -1.2021 -1.2021 -1.1848 -1.1848 -1.1775 -1.1775 -1.1201 -1.1201 -1.1075 -1.1075 3.8009 3.8009 3.8019 3.8019 4.1426 4.1426 4.1618 4.1618 4.4996 4.4996 4.5450 4.5450 k = 0.4286 0.3892-0.1268 ( 32226 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4819 -25.4819 -25.4819 -25.4819 -25.4783 -25.4783 -25.4782 -25.4782 -10.2349 -10.2349 -10.2341 -10.2341 -10.2108 -10.2108 -10.2103 -10.2103 -9.4167 -9.4167 -9.4138 -9.4138 -9.3939 -9.3939 -9.3923 -9.3923 -9.3219 -9.3219 -9.3184 -9.3184 -9.2806 -9.2806 -9.2787 -9.2787 -3.3036 -3.3036 -3.2899 -3.2899 -3.2368 -3.2368 -3.2113 -3.2113 -1.7653 -1.7653 -1.7369 -1.7369 -1.2227 -1.2227 -1.2058 -1.2058 -1.1851 -1.1851 -1.1791 -1.1791 -1.1202 -1.1202 -1.1044 -1.1044 3.7868 3.7868 3.7885 3.7885 4.1395 4.1395 4.1652 4.1652 4.5057 4.5057 4.5658 4.5658 k = 0.4107 0.3892-0.1268 ( 32228 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4819 -25.4819 -25.4819 -25.4819 -25.4784 -25.4784 -25.4782 -25.4782 -10.2349 -10.2349 -10.2339 -10.2339 -10.2106 -10.2106 -10.2100 -10.2100 -9.4166 -9.4166 -9.4130 -9.4130 -9.3933 -9.3933 -9.3914 -9.3914 -9.3226 -9.3226 -9.3183 -9.3183 -9.2813 -9.2813 -9.2789 -9.2789 -3.3024 -3.3024 -3.2853 -3.2853 -3.2514 -3.2514 -3.2203 -3.2203 -1.7514 -1.7514 -1.7170 -1.7170 -1.2289 -1.2289 -1.2110 -1.2110 -1.1851 -1.1851 -1.1818 -1.1818 -1.1196 -1.1196 -1.1012 -1.1012 3.7691 3.7691 3.7719 3.7719 4.1363 4.1363 4.1686 4.1686 4.5159 4.5159 4.5902 4.5902 k = 0.3929 0.3892-0.1268 ( 32224 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4820 -25.4820 -25.4819 -25.4819 -25.4784 -25.4784 -25.4782 -25.4782 -10.2348 -10.2348 -10.2336 -10.2336 -10.2104 -10.2104 -10.2096 -10.2096 -9.4163 -9.4163 -9.4120 -9.4120 -9.3926 -9.3926 -9.3904 -9.3904 -9.3235 -9.3235 -9.3183 -9.3183 -9.2822 -9.2822 -9.2793 -9.2793 -3.3007 -3.3007 -3.2805 -3.2805 -3.2674 -3.2674 -3.2315 -3.2315 -1.7342 -1.7342 -1.6945 -1.6945 -1.2356 -1.2356 -1.2172 -1.2172 -1.1862 -1.1862 -1.1847 -1.1847 -1.1184 -1.1184 -1.0979 -1.0979 3.7483 3.7483 3.7524 3.7524 4.1330 4.1330 4.1721 4.1721 4.5302 4.5302 4.6184 4.6184 k = 0.3750 0.3892-0.1268 ( 32204 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4820 -25.4820 -25.4819 -25.4819 -25.4784 -25.4784 -25.4782 -25.4782 -10.2346 -10.2346 -10.2333 -10.2333 -10.2101 -10.2101 -10.2092 -10.2092 -9.4160 -9.4160 -9.4110 -9.4110 -9.3918 -9.3918 -9.3892 -9.3892 -9.3244 -9.3244 -9.3184 -9.3184 -9.2832 -9.2832 -9.2798 -9.2798 -3.2986 -3.2986 -3.2866 -3.2866 -3.2735 -3.2735 -3.2446 -3.2446 -1.7140 -1.7140 -1.6696 -1.6696 -1.2427 -1.2427 -1.2240 -1.2240 -1.1907 -1.1907 -1.1855 -1.1855 -1.1167 -1.1167 -1.0946 -1.0946 3.7248 3.7248 3.7304 3.7304 4.1296 4.1296 4.1754 4.1754 4.5487 4.5487 4.6502 4.6502 k = 0.3571 0.3892-0.1268 ( 32208 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4820 -25.4820 -25.4819 -25.4819 -25.4784 -25.4784 -25.4782 -25.4782 -10.2345 -10.2345 -10.2329 -10.2329 -10.2097 -10.2097 -10.2087 -10.2087 -9.4155 -9.4155 -9.4100 -9.4100 -9.3908 -9.3908 -9.3879 -9.3879 -9.3254 -9.3254 -9.3186 -9.3186 -9.2842 -9.2842 -9.2804 -9.2804 -3.3053 -3.3053 -3.2963 -3.2963 -3.2676 -3.2676 -3.2589 -3.2589 -1.6912 -1.6912 -1.6429 -1.6429 -1.2501 -1.2501 -1.2314 -1.2314 -1.1961 -1.1961 -1.1865 -1.1865 -1.1147 -1.1147 -1.0913 -1.0913 3.6989 3.6989 3.7065 3.7065 4.1258 4.1258 4.1787 4.1787 4.5713 4.5713 4.6857 4.6857 k = 0.3393 0.3892-0.1268 ( 32218 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4820 -25.4820 -25.4819 -25.4819 -25.4784 -25.4784 -25.4782 -25.4782 -10.2343 -10.2343 -10.2326 -10.2326 -10.2093 -10.2093 -10.2082 -10.2082 -9.4149 -9.4149 -9.4088 -9.4088 -9.3897 -9.3897 -9.3864 -9.3864 -9.3264 -9.3264 -9.3189 -9.3189 -9.2854 -9.2854 -9.2811 -9.2811 -3.3252 -3.3252 -3.2951 -3.2951 -3.2730 -3.2730 -3.2609 -3.2609 -1.6662 -1.6662 -1.6148 -1.6148 -1.2577 -1.2577 -1.2392 -1.2392 -1.2021 -1.2021 -1.1880 -1.1880 -1.1122 -1.1122 -1.0880 -1.0880 3.6713 3.6713 3.6809 3.6809 4.1217 4.1217 4.1818 4.1818 4.5979 4.5979 4.7248 4.7248 k = 0.3214 0.3892-0.1268 ( 32212 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4820 -25.4820 -25.4819 -25.4819 -25.4785 -25.4785 -25.4782 -25.4782 -10.2341 -10.2341 -10.2322 -10.2322 -10.2089 -10.2089 -10.2077 -10.2077 -9.4143 -9.4143 -9.4077 -9.4077 -9.3884 -9.3884 -9.3849 -9.3849 -9.3274 -9.3274 -9.3193 -9.3193 -9.2866 -9.2866 -9.2819 -9.2819 -3.3456 -3.3456 -3.3007 -3.3007 -3.2809 -3.2809 -3.2539 -3.2539 -1.6393 -1.6393 -1.5857 -1.5857 -1.2654 -1.2654 -1.2472 -1.2472 -1.2086 -1.2086 -1.1899 -1.1899 -1.1096 -1.1096 -1.0849 -1.0849 3.6424 3.6424 3.6543 3.6543 4.1171 4.1171 4.1846 4.1846 4.6285 4.6285 4.7673 4.7673 k = 0.3036 0.3892-0.1268 ( 32200 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4820 -25.4820 -25.4819 -25.4819 -25.4785 -25.4785 -25.4782 -25.4782 -10.2339 -10.2339 -10.2318 -10.2318 -10.2085 -10.2085 -10.2072 -10.2072 -9.4135 -9.4135 -9.4064 -9.4064 -9.3870 -9.3870 -9.3832 -9.3832 -9.3285 -9.3285 -9.3197 -9.3197 -9.2880 -9.2880 -9.2828 -9.2828 -3.3664 -3.3664 -3.3156 -3.3156 -3.2799 -3.2799 -3.2464 -3.2464 -1.6111 -1.6111 -1.5561 -1.5561 -1.2732 -1.2732 -1.2552 -1.2552 -1.2153 -1.2153 -1.1923 -1.1923 -1.1066 -1.1066 -1.0818 -1.0818 3.6128 3.6128 3.6270 3.6270 4.1119 4.1119 4.1871 4.1871 4.6630 4.6630 4.8131 4.8131 k = 0.2857 0.3892-0.1268 ( 32196 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4820 -25.4820 -25.4819 -25.4819 -25.4785 -25.4785 -25.4782 -25.4782 -10.2337 -10.2337 -10.2314 -10.2314 -10.2080 -10.2080 -10.2066 -10.2066 -9.4126 -9.4126 -9.4052 -9.4052 -9.3855 -9.3855 -9.3815 -9.3815 -9.3296 -9.3296 -9.3202 -9.3202 -9.2894 -9.2894 -9.2838 -9.2838 -3.3872 -3.3872 -3.3331 -3.3331 -3.2763 -3.2763 -3.2388 -3.2388 -1.5819 -1.5819 -1.5267 -1.5267 -1.2808 -1.2808 -1.2633 -1.2633 -1.2221 -1.2221 -1.1950 -1.1950 -1.1035 -1.1035 -1.0790 -1.0790 3.5827 3.5827 3.5994 3.5994 4.1061 4.1061 4.1891 4.1891 4.7011 4.7011 4.8621 4.8621 k = 0.2679 0.3892-0.1268 ( 32202 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4821 -25.4821 -25.4819 -25.4819 -25.4785 -25.4785 -25.4782 -25.4782 -10.2334 -10.2334 -10.2310 -10.2310 -10.2075 -10.2075 -10.2060 -10.2060 -9.4117 -9.4117 -9.4039 -9.4039 -9.3839 -9.3839 -9.3797 -9.3797 -9.3307 -9.3307 -9.3207 -9.3207 -9.2908 -9.2908 -9.2849 -9.2849 -3.4078 -3.4078 -3.3513 -3.3513 -3.2719 -3.2719 -3.2310 -3.2310 -1.5522 -1.5522 -1.4978 -1.4978 -1.2881 -1.2881 -1.2712 -1.2712 -1.2289 -1.2289 -1.1981 -1.1981 -1.1002 -1.1002 -1.0764 -1.0764 3.5528 3.5528 3.5719 3.5719 4.0996 4.0996 4.1905 4.1905 4.7426 4.7426 4.9140 4.9140 k = 0.2500 0.3892-0.1268 ( 32200 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4821 -25.4821 -25.4819 -25.4819 -25.4785 -25.4785 -25.4782 -25.4782 -10.2332 -10.2332 -10.2306 -10.2306 -10.2070 -10.2070 -10.2054 -10.2054 -9.4107 -9.4107 -9.4027 -9.4027 -9.3822 -9.3822 -9.3778 -9.3778 -9.3319 -9.3319 -9.3214 -9.3214 -9.2924 -9.2924 -9.2860 -9.2860 -3.4279 -3.4279 -3.3696 -3.3696 -3.2672 -3.2672 -3.2231 -3.2231 -1.5224 -1.5224 -1.4701 -1.4701 -1.2949 -1.2949 -1.2787 -1.2787 -1.2354 -1.2354 -1.2014 -1.2014 -1.0966 -1.0966 -1.0741 -1.0741 3.5233 3.5233 3.5448 3.5448 4.0923 4.0923 4.1914 4.1914 4.7875 4.7875 4.9686 4.9686 k = 0.2321 0.3892-0.1268 ( 32198 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4821 -25.4821 -25.4819 -25.4819 -25.4786 -25.4786 -25.4782 -25.4782 -10.2329 -10.2329 -10.2302 -10.2302 -10.2065 -10.2065 -10.2049 -10.2049 -9.4096 -9.4096 -9.4015 -9.4015 -9.3804 -9.3804 -9.3759 -9.3759 -9.3330 -9.3330 -9.3220 -9.3220 -9.2939 -9.2939 -9.2872 -9.2872 -3.4475 -3.4475 -3.3876 -3.3876 -3.2623 -3.2623 -3.2152 -3.2152 -1.4931 -1.4931 -1.4445 -1.4445 -1.3007 -1.3007 -1.2855 -1.2855 -1.2413 -1.2413 -1.2049 -1.2049 -1.0929 -1.0929 -1.0722 -1.0722 3.4947 3.4947 3.5185 3.5185 4.0843 4.0843 4.1917 4.1917 4.8355 4.8355 5.0255 5.0255 k = 0.2143 0.3892-0.1268 ( 32200 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4821 -25.4821 -25.4819 -25.4819 -25.4786 -25.4786 -25.4782 -25.4782 -10.2327 -10.2327 -10.2298 -10.2298 -10.2060 -10.2060 -10.2043 -10.2043 -9.4085 -9.4085 -9.4003 -9.4003 -9.3786 -9.3786 -9.3739 -9.3739 -9.3341 -9.3341 -9.3228 -9.3228 -9.2955 -9.2955 -9.2884 -9.2884 -3.4662 -3.4662 -3.4050 -3.4050 -3.2573 -3.2573 -3.2074 -3.2074 -1.4648 -1.4648 -1.4220 -1.4220 -1.3053 -1.3053 -1.2914 -1.2914 -1.2463 -1.2463 -1.2085 -1.2085 -1.0889 -1.0889 -1.0707 -1.0707 3.4671 3.4671 3.4932 3.4932 4.0756 4.0756 4.1912 4.1912 4.8862 4.8862 5.0844 5.0844 k = 0.1964 0.3892-0.1268 ( 32208 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4821 -25.4821 -25.4820 -25.4820 -25.4786 -25.4786 -25.4782 -25.4782 -10.2324 -10.2324 -10.2295 -10.2295 -10.2055 -10.2055 -10.2038 -10.2038 -9.4073 -9.4073 -9.3992 -9.3992 -9.3767 -9.3767 -9.3720 -9.3720 -9.3352 -9.3352 -9.3235 -9.3235 -9.2972 -9.2972 -9.2897 -9.2897 -3.4839 -3.4839 -3.4217 -3.4217 -3.2524 -3.2524 -3.1998 -3.1998 -1.4385 -1.4385 -1.4038 -1.4038 -1.3081 -1.3081 -1.2956 -1.2956 -1.2498 -1.2498 -1.2121 -1.2121 -1.0847 -1.0847 -1.0697 -1.0697 3.4409 3.4409 3.4691 3.4691 4.0663 4.0663 4.1901 4.1901 4.9394 4.9394 5.1447 5.1447 k = 0.1786 0.3892-0.1268 ( 32196 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4821 -25.4821 -25.4820 -25.4820 -25.4786 -25.4786 -25.4782 -25.4782 -10.2322 -10.2322 -10.2291 -10.2291 -10.2050 -10.2050 -10.2032 -10.2032 -9.4061 -9.4061 -9.3981 -9.3981 -9.3748 -9.3748 -9.3701 -9.3701 -9.3362 -9.3362 -9.3243 -9.3243 -9.2988 -9.2988 -9.2909 -9.2909 -3.5005 -3.5005 -3.4375 -3.4375 -3.2476 -3.2476 -3.1925 -3.1925 -1.4152 -1.4152 -1.3910 -1.3910 -1.3090 -1.3090 -1.2971 -1.2971 -1.2508 -1.2508 -1.2157 -1.2157 -1.0803 -1.0803 -1.0694 -1.0694 3.4162 3.4162 3.4466 3.4466 4.0566 4.0566 4.1883 4.1883 4.9946 4.9946 5.2057 5.2057 k = 0.1607 0.3892-0.1268 ( 32178 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4821 -25.4821 -25.4820 -25.4820 -25.4786 -25.4786 -25.4782 -25.4782 -10.2320 -10.2320 -10.2288 -10.2288 -10.2046 -10.2046 -10.2027 -10.2027 -9.4049 -9.4049 -9.3972 -9.3972 -9.3729 -9.3729 -9.3682 -9.3682 -9.3372 -9.3372 -9.3251 -9.3251 -9.3004 -9.3004 -9.2922 -9.2922 -3.5160 -3.5160 -3.4522 -3.4522 -3.2429 -3.2429 -3.1855 -3.1855 -1.3965 -1.3965 -1.3838 -1.3838 -1.3090 -1.3090 -1.2948 -1.2948 -1.2485 -1.2485 -1.2191 -1.2191 -1.0758 -1.0758 -1.0695 -1.0695 3.3934 3.3934 3.4257 3.4257 4.0466 4.0466 4.1860 4.1860 5.0515 5.0515 5.2661 5.2661 k = 0.1429 0.3892-0.1268 ( 32174 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4822 -25.4822 -25.4820 -25.4820 -25.4786 -25.4786 -25.4783 -25.4783 -10.2318 -10.2318 -10.2285 -10.2285 -10.2041 -10.2041 -10.2023 -10.2023 -9.4037 -9.4037 -9.3963 -9.3963 -9.3710 -9.3710 -9.3664 -9.3664 -9.3381 -9.3381 -9.3259 -9.3259 -9.3019 -9.3019 -9.2935 -9.2935 -3.5300 -3.5300 -3.4658 -3.4658 -3.2386 -3.2386 -3.1790 -3.1790 -1.3838 -1.3838 -1.3810 -1.3810 -1.3093 -1.3093 -1.2874 -1.2874 -1.2426 -1.2426 -1.2221 -1.2221 -1.0723 -1.0723 -1.0692 -1.0692 3.3726 3.3726 3.4066 3.4066 4.0366 4.0366 4.1833 4.1833 5.1094 5.1094 5.3231 5.3231 k = 0.1250 0.3892-0.1268 ( 32174 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4822 -25.4822 -25.4820 -25.4820 -25.4787 -25.4787 -25.4783 -25.4783 -10.2316 -10.2316 -10.2282 -10.2282 -10.2038 -10.2038 -10.2019 -10.2019 -9.4024 -9.4024 -9.3956 -9.3956 -9.3692 -9.3692 -9.3647 -9.3647 -9.3390 -9.3390 -9.3267 -9.3267 -9.3034 -9.3034 -9.2947 -9.2947 -3.5426 -3.5426 -3.4779 -3.4779 -3.2345 -3.2345 -3.1730 -3.1730 -1.3813 -1.3813 -1.3769 -1.3769 -1.3107 -1.3107 -1.2753 -1.2753 -1.2344 -1.2344 -1.2246 -1.2246 -1.0730 -1.0730 -1.0652 -1.0652 3.3539 3.3539 3.3894 3.3894 4.0269 4.0269 4.1803 4.1803 5.1676 5.1676 5.3707 5.3707 k = 0.1071 0.3892-0.1268 ( 32166 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4822 -25.4822 -25.4820 -25.4820 -25.4787 -25.4787 -25.4783 -25.4783 -10.2314 -10.2314 -10.2279 -10.2279 -10.2034 -10.2034 -10.2015 -10.2015 -9.4012 -9.4012 -9.3951 -9.3951 -9.3675 -9.3675 -9.3632 -9.3632 -9.3397 -9.3397 -9.3274 -9.3274 -9.3048 -9.3048 -9.2958 -9.2958 -3.5538 -3.5538 -3.4887 -3.4887 -3.2309 -3.2309 -3.1677 -3.1677 -1.3828 -1.3828 -1.3744 -1.3744 -1.3128 -1.3128 -1.2608 -1.2608 -1.2277 -1.2277 -1.2239 -1.2239 -1.0754 -1.0754 -1.0604 -1.0604 3.3374 3.3374 3.3744 3.3744 4.0177 4.0177 4.1771 4.1771 5.2249 5.2249 5.3981 5.3981 k = 0.0893 0.3892-0.1268 ( 32164 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4822 -25.4822 -25.4820 -25.4820 -25.4787 -25.4787 -25.4783 -25.4783 -10.2313 -10.2313 -10.2277 -10.2277 -10.2031 -10.2031 -10.2012 -10.2012 -9.4001 -9.4001 -9.3947 -9.3947 -9.3659 -9.3659 -9.3618 -9.3618 -9.3404 -9.3404 -9.3281 -9.3281 -9.3061 -9.3061 -9.2969 -9.2969 -3.5633 -3.5633 -3.4979 -3.4979 -3.2277 -3.2277 -3.1630 -3.1630 -1.3848 -1.3848 -1.3743 -1.3743 -1.3153 -1.3153 -1.2473 -1.2473 -1.2264 -1.2264 -1.2157 -1.2157 -1.0786 -1.0786 -1.0556 -1.0556 3.3233 3.3233 3.3615 3.3615 4.0094 4.0094 4.1740 4.1740 5.2800 5.2800 5.4061 5.4061 k = 0.0714 0.3892-0.1268 ( 32178 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4822 -25.4822 -25.4820 -25.4820 -25.4787 -25.4787 -25.4783 -25.4783 -10.2311 -10.2311 -10.2276 -10.2276 -10.2029 -10.2029 -10.2009 -10.2009 -9.3990 -9.3990 -9.3945 -9.3945 -9.3644 -9.3644 -9.3606 -9.3606 -9.3410 -9.3410 -9.3287 -9.3287 -9.3072 -9.3072 -9.2978 -9.2978 -3.5711 -3.5711 -3.5056 -3.5056 -3.2251 -3.2251 -3.1591 -3.1591 -1.3870 -1.3870 -1.3751 -1.3751 -1.3178 -1.3178 -1.2404 -1.2404 -1.2193 -1.2193 -1.2080 -1.2080 -1.0823 -1.0823 -1.0513 -1.0513 3.3117 3.3117 3.3508 3.3508 4.0021 4.0021 4.1711 4.1711 5.3309 5.3309 5.4061 5.4061 k = 0.0536 0.3892-0.1268 ( 32178 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4822 -25.4822 -25.4820 -25.4820 -25.4787 -25.4787 -25.4783 -25.4783 -10.2310 -10.2310 -10.2274 -10.2274 -10.2027 -10.2027 -10.2007 -10.2007 -9.3980 -9.3980 -9.3945 -9.3945 -9.3632 -9.3632 -9.3597 -9.3597 -9.3414 -9.3414 -9.3292 -9.3292 -9.3081 -9.3081 -9.2985 -9.2985 -3.5773 -3.5773 -3.5116 -3.5116 -3.2229 -3.2229 -3.1560 -3.1560 -1.3888 -1.3888 -1.3763 -1.3763 -1.3199 -1.3199 -1.2394 -1.2394 -1.2080 -1.2080 -1.2017 -1.2017 -1.0863 -1.0863 -1.0476 -1.0476 3.3026 3.3026 3.3424 3.3424 3.9962 3.9962 4.1687 4.1687 5.3749 5.3749 5.4042 5.4042 k = 0.0357 0.3892-0.1268 ( 32172 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4822 -25.4822 -25.4820 -25.4820 -25.4787 -25.4787 -25.4783 -25.4783 -10.2310 -10.2310 -10.2273 -10.2273 -10.2025 -10.2025 -10.2005 -10.2005 -9.3970 -9.3970 -9.3947 -9.3947 -9.3623 -9.3623 -9.3590 -9.3590 -9.3418 -9.3418 -9.3296 -9.3296 -9.3087 -9.3087 -9.2991 -9.2991 -3.5817 -3.5817 -3.5159 -3.5159 -3.2214 -3.2214 -3.1538 -3.1538 -1.3903 -1.3903 -1.3774 -1.3774 -1.3215 -1.3215 -1.2397 -1.2397 -1.1980 -1.1980 -1.1969 -1.1969 -1.0901 -1.0901 -1.0447 -1.0447 3.2960 3.2960 3.3364 3.3364 3.9919 3.9919 4.1668 4.1668 5.4023 5.4023 5.4086 5.4086 k = 0.0179 0.3892-0.1268 ( 32170 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4822 -25.4822 -25.4820 -25.4820 -25.4787 -25.4787 -25.4783 -25.4783 -10.2309 -10.2309 -10.2273 -10.2273 -10.2024 -10.2024 -10.2005 -10.2005 -9.3962 -9.3962 -9.3950 -9.3950 -9.3617 -9.3617 -9.3586 -9.3586 -9.3420 -9.3420 -9.3298 -9.3298 -9.3091 -9.3091 -9.2994 -9.2994 -3.5844 -3.5844 -3.5185 -3.5185 -3.2205 -3.2205 -3.1524 -3.1524 -1.3912 -1.3912 -1.3781 -1.3781 -1.3225 -1.3225 -1.2400 -1.2400 -1.1947 -1.1947 -1.1905 -1.1905 -1.0929 -1.0929 -1.0429 -1.0429 3.2921 3.2921 3.3328 3.3328 3.9892 3.9892 4.1656 4.1656 5.4011 5.4011 5.4279 5.4279 k = 0.0000 0.3892-0.1268 ( 32192 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4822 -25.4822 -25.4820 -25.4820 -25.4787 -25.4787 -25.4783 -25.4783 -10.2309 -10.2309 -10.2272 -10.2272 -10.2024 -10.2024 -10.2004 -10.2004 -9.3957 -9.3957 -9.3954 -9.3954 -9.3615 -9.3615 -9.3585 -9.3585 -9.3420 -9.3420 -9.3299 -9.3299 -9.3093 -9.3093 -9.2995 -9.2995 -3.5853 -3.5853 -3.5194 -3.5194 -3.2201 -3.2201 -3.1520 -3.1520 -1.3915 -1.3915 -1.3784 -1.3784 -1.3229 -1.3229 -1.2402 -1.2402 -1.1937 -1.1937 -1.1880 -1.1880 -1.0940 -1.0940 -1.0423 -1.0423 3.2908 3.2908 3.3316 3.3316 3.9883 3.9883 4.1652 4.1652 5.4007 5.4007 5.4335 5.4335 k = 0.0000 0.3892-0.1268 ( 32192 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4822 -25.4822 -25.4820 -25.4820 -25.4787 -25.4787 -25.4783 -25.4783 -10.2309 -10.2309 -10.2272 -10.2272 -10.2024 -10.2024 -10.2004 -10.2004 -9.3957 -9.3957 -9.3954 -9.3954 -9.3615 -9.3615 -9.3585 -9.3585 -9.3420 -9.3420 -9.3299 -9.3299 -9.3093 -9.3093 -9.2995 -9.2995 -3.5853 -3.5853 -3.5194 -3.5194 -3.2201 -3.2201 -3.1520 -3.1520 -1.3915 -1.3915 -1.3784 -1.3784 -1.3229 -1.3229 -1.2402 -1.2402 -1.1937 -1.1937 -1.1880 -1.1880 -1.0940 -1.0940 -1.0423 -1.0423 3.2908 3.2908 3.3316 3.3316 3.9883 3.9883 4.1652 4.1652 5.4007 5.4007 5.4335 5.4335 k = 0.0000 0.3945-0.1106 ( 32183 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4822 -25.4822 -25.4820 -25.4820 -25.4787 -25.4787 -25.4783 -25.4783 -10.2310 -10.2310 -10.2270 -10.2270 -10.2025 -10.2025 -10.2004 -10.2004 -9.3961 -9.3961 -9.3947 -9.3947 -9.3617 -9.3617 -9.3583 -9.3583 -9.3422 -9.3422 -9.3298 -9.3298 -9.3094 -9.3094 -9.2997 -9.2997 -3.5845 -3.5845 -3.5187 -3.5187 -3.2235 -3.2235 -3.1505 -3.1505 -1.3945 -1.3945 -1.3737 -1.3737 -1.3227 -1.3227 -1.2396 -1.2396 -1.1971 -1.1971 -1.1855 -1.1855 -1.0945 -1.0945 -1.0427 -1.0427 3.2839 3.2839 3.3407 3.3407 3.9867 3.9867 4.1625 4.1625 5.3730 5.3730 5.4656 5.4656 k = 0.0000 0.3998-0.0943 ( 32202 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4822 -25.4822 -25.4819 -25.4819 -25.4788 -25.4788 -25.4782 -25.4782 -10.2313 -10.2313 -10.2264 -10.2264 -10.2028 -10.2028 -10.2004 -10.2004 -9.3963 -9.3963 -9.3936 -9.3936 -9.3621 -9.3621 -9.3577 -9.3577 -9.3428 -9.3428 -9.3294 -9.3294 -9.3099 -9.3099 -9.3002 -9.3002 -3.5823 -3.5823 -3.5164 -3.5164 -3.2326 -3.2326 -3.1471 -3.1471 -1.3990 -1.3990 -1.3643 -1.3643 -1.3222 -1.3222 -1.2377 -1.2377 -1.2032 -1.2032 -1.1821 -1.1821 -1.0961 -1.0961 -1.0439 -1.0439 3.2713 3.2713 3.3599 3.3599 3.9819 3.9819 4.1542 4.1542 5.3386 5.3386 5.4749 5.4749 k = 0.0000 0.4051-0.0780 ( 32196 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4822 -25.4822 -25.4818 -25.4818 -25.4789 -25.4789 -25.4782 -25.4782 -10.2315 -10.2315 -10.2255 -10.2255 -10.2032 -10.2032 -10.2005 -10.2005 -9.3962 -9.3962 -9.3922 -9.3922 -9.3627 -9.3627 -9.3570 -9.3570 -9.3436 -9.3436 -9.3289 -9.3289 -9.3108 -9.3108 -9.3010 -9.3010 -3.5786 -3.5786 -3.5127 -3.5127 -3.2459 -3.2459 -3.1430 -3.1430 -1.4025 -1.4025 -1.3527 -1.3527 -1.3214 -1.3214 -1.2347 -1.2347 -1.2102 -1.2102 -1.1794 -1.1794 -1.0988 -1.0988 -1.0458 -1.0458 3.2590 3.2590 3.3834 3.3834 3.9739 3.9739 4.1406 4.1406 5.3096 5.3096 5.4751 5.4751 k = 0.0000 0.4104-0.0618 ( 32189 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4823 -25.4823 -25.4817 -25.4817 -25.4790 -25.4790 -25.4782 -25.4782 -10.2318 -10.2318 -10.2245 -10.2245 -10.2037 -10.2037 -10.2006 -10.2006 -9.3958 -9.3958 -9.3905 -9.3905 -9.3633 -9.3633 -9.3563 -9.3563 -9.3446 -9.3446 -9.3282 -9.3282 -9.3119 -9.3119 -9.3022 -9.3022 -3.5734 -3.5734 -3.5075 -3.5075 -3.2623 -3.2623 -3.1396 -3.1396 -1.4044 -1.4044 -1.3397 -1.3397 -1.3203 -1.3203 -1.2311 -1.2311 -1.2176 -1.2176 -1.1775 -1.1775 -1.1024 -1.1024 -1.0485 -1.0485 3.2484 3.2484 3.4096 3.4096 3.9626 3.9626 4.1218 4.1218 5.2873 5.2873 5.4764 5.4764 k = 0.0000 0.4157-0.0455 ( 32188 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4823 -25.4823 -25.4816 -25.4816 -25.4792 -25.4792 -25.4781 -25.4781 -10.2319 -10.2319 -10.2232 -10.2232 -10.2043 -10.2043 -10.2008 -10.2008 -9.3951 -9.3951 -9.3885 -9.3885 -9.3639 -9.3639 -9.3555 -9.3555 -9.3457 -9.3457 -9.3275 -9.3275 -9.3134 -9.3134 -9.3036 -9.3036 -3.5668 -3.5668 -3.5009 -3.5009 -3.2809 -3.2809 -3.1372 -3.1372 -1.4048 -1.4048 -1.3254 -1.3254 -1.3189 -1.3189 -1.2311 -1.2311 -1.2210 -1.2210 -1.1765 -1.1765 -1.1071 -1.1071 -1.0518 -1.0518 3.2401 3.2401 3.4380 3.4380 3.9479 3.9479 4.0983 4.0983 5.2725 5.2725 5.4797 5.4797 k = 0.0000 0.4210-0.0293 ( 32187 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4822 -25.4822 -25.4815 -25.4815 -25.4793 -25.4793 -25.4781 -25.4781 -10.2320 -10.2320 -10.2219 -10.2219 -10.2051 -10.2051 -10.2010 -10.2010 -9.3942 -9.3942 -9.3863 -9.3863 -9.3644 -9.3644 -9.3548 -9.3548 -9.3469 -9.3469 -9.3268 -9.3268 -9.3151 -9.3151 -9.3053 -9.3053 -3.5588 -3.5588 -3.4929 -3.4929 -3.3013 -3.3013 -3.1364 -3.1364 -1.4035 -1.4035 -1.3177 -1.3177 -1.3097 -1.3097 -1.2389 -1.2389 -1.2163 -1.2163 -1.1762 -1.1762 -1.1127 -1.1127 -1.0559 -1.0559 3.2342 3.2342 3.4683 3.4683 3.9293 3.9293 4.0710 4.0710 5.2653 5.2653 5.4854 5.4854 k = 0.0000 0.4262-0.0130 ( 32193 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4822 -25.4822 -25.4813 -25.4813 -25.4795 -25.4795 -25.4781 -25.4781 -10.2320 -10.2320 -10.2204 -10.2204 -10.2059 -10.2059 -10.2013 -10.2013 -9.3929 -9.3929 -9.3839 -9.3839 -9.3650 -9.3650 -9.3542 -9.3542 -9.3480 -9.3480 -9.3261 -9.3261 -9.3171 -9.3171 -9.3073 -9.3073 -3.5494 -3.5494 -3.4835 -3.4835 -3.3231 -3.3231 -3.1370 -3.1370 -1.4008 -1.4008 -1.3164 -1.3164 -1.2933 -1.2933 -1.2485 -1.2485 -1.2092 -1.2092 -1.1767 -1.1767 -1.1192 -1.1192 -1.0606 -1.0606 3.2308 3.2308 3.5005 3.5005 3.9061 3.9061 4.0415 4.0415 5.2656 5.2656 5.4940 5.4940 k = 0.0000 0.4315 0.0033 ( 32193 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4822 -25.4822 -25.4812 -25.4812 -25.4797 -25.4797 -25.4781 -25.4781 -10.2319 -10.2319 -10.2188 -10.2188 -10.2068 -10.2068 -10.2017 -10.2017 -9.3914 -9.3914 -9.3812 -9.3812 -9.3656 -9.3656 -9.3540 -9.3540 -9.3487 -9.3487 -9.3254 -9.3254 -9.3192 -9.3192 -9.3095 -9.3095 -3.5387 -3.5387 -3.4728 -3.4728 -3.3461 -3.3461 -3.1393 -3.1393 -1.3966 -1.3966 -1.3158 -1.3158 -1.2762 -1.2762 -1.2581 -1.2581 -1.2015 -1.2015 -1.1775 -1.1775 -1.1266 -1.1266 -1.0660 -1.0660 3.2300 3.2300 3.5345 3.5345 3.8774 3.8774 4.0116 4.0116 5.2730 5.2730 5.5058 5.5058 k = 0.0000 0.4368 0.0195 ( 32180 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4821 -25.4821 -25.4810 -25.4810 -25.4799 -25.4799 -25.4782 -25.4782 -10.2317 -10.2317 -10.2172 -10.2172 -10.2078 -10.2078 -10.2022 -10.2022 -9.3896 -9.3896 -9.3784 -9.3784 -9.3662 -9.3662 -9.3544 -9.3544 -9.3489 -9.3489 -9.3248 -9.3248 -9.3215 -9.3215 -9.3118 -9.3118 -3.5268 -3.5268 -3.4609 -3.4609 -3.3700 -3.3700 -3.1430 -3.1430 -1.3911 -1.3911 -1.3169 -1.3169 -1.2666 -1.2666 -1.2584 -1.2584 -1.1941 -1.1941 -1.1777 -1.1777 -1.1347 -1.1347 -1.0719 -1.0719 3.2320 3.2320 3.5700 3.5700 3.8423 3.8423 3.9829 3.9829 5.2870 5.2870 5.5210 5.5210 k = 0.0000 0.4421 0.0358 ( 32174 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4821 -25.4821 -25.4808 -25.4808 -25.4801 -25.4801 -25.4782 -25.4782 -10.2315 -10.2315 -10.2156 -10.2156 -10.2088 -10.2088 -10.2027 -10.2027 -9.3877 -9.3877 -9.3755 -9.3755 -9.3669 -9.3669 -9.3551 -9.3551 -9.3488 -9.3488 -9.3243 -9.3243 -9.3238 -9.3238 -9.3142 -9.3142 -3.5137 -3.5137 -3.4478 -3.4478 -3.3946 -3.3946 -3.1482 -3.1482 -1.3845 -1.3845 -1.3213 -1.3213 -1.2723 -1.2723 -1.2404 -1.2404 -1.1907 -1.1907 -1.1741 -1.1741 -1.1435 -1.1435 -1.0783 -1.0783 3.2366 3.2366 3.6071 3.6071 3.8009 3.8009 3.9565 3.9565 5.3067 5.3067 5.5394 5.5394 k = 0.0000 0.4474 0.0520 ( 32167 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4820 -25.4820 -25.4806 -25.4806 -25.4803 -25.4803 -25.4782 -25.4782 -10.2312 -10.2312 -10.2141 -10.2141 -10.2096 -10.2096 -10.2034 -10.2034 -9.3855 -9.3855 -9.3726 -9.3726 -9.3675 -9.3675 -9.3559 -9.3559 -9.3486 -9.3486 -9.3264 -9.3264 -9.3236 -9.3236 -9.3167 -9.3167 -3.4996 -3.4996 -3.4336 -3.4336 -3.4198 -3.4198 -3.1547 -3.1547 -1.3769 -1.3769 -1.3299 -1.3299 -1.2741 -1.2741 -1.2223 -1.2223 -1.1921 -1.1921 -1.1656 -1.1656 -1.1527 -1.1527 -1.0851 -1.0851 3.2439 3.2439 3.6458 3.6458 3.7540 3.7540 3.9327 3.9327 5.3312 5.3312 5.5611 5.5611 k = 0.0000 0.4527 0.0683 ( 32173 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4819 -25.4819 -25.4805 -25.4805 -25.4804 -25.4804 -25.4783 -25.4783 -10.2308 -10.2308 -10.2133 -10.2133 -10.2098 -10.2098 -10.2040 -10.2040 -9.3832 -9.3832 -9.3702 -9.3702 -9.3681 -9.3681 -9.3564 -9.3564 -9.3486 -9.3486 -9.3286 -9.3286 -9.3231 -9.3231 -9.3192 -9.3192 -3.4844 -3.4844 -3.4453 -3.4453 -3.4182 -3.4182 -3.1624 -3.1624 -1.3684 -1.3684 -1.3422 -1.3422 -1.2728 -1.2728 -1.2050 -1.2050 -1.1954 -1.1954 -1.1626 -1.1626 -1.1543 -1.1543 -1.0923 -1.0923 3.2539 3.2539 3.6859 3.6859 3.7029 3.7029 3.9110 3.9110 5.3595 5.3595 5.5856 5.5856 k = 0.5000 0.3256 0.3219 ( 32178 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4810 -25.4810 -25.4810 -25.4810 -25.4792 -25.4792 -25.4792 -25.4792 -10.2286 -10.2286 -10.2285 -10.2285 -10.2152 -10.2152 -10.2150 -10.2150 -9.4045 -9.4045 -9.4033 -9.4033 -9.3973 -9.3973 -9.3926 -9.3926 -9.3191 -9.3191 -9.3180 -9.3180 -9.2981 -9.2981 -9.2929 -9.2929 -3.3017 -3.3017 -3.3011 -3.3011 -3.2065 -3.2065 -3.2056 -3.2056 -1.6744 -1.6744 -1.6742 -1.6742 -1.3269 -1.3269 -1.3252 -1.3252 -1.1600 -1.1600 -1.1597 -1.1597 -1.1242 -1.1242 -1.1220 -1.1220 3.7796 3.7796 3.7797 3.7797 3.9868 3.9868 3.9871 3.9871 4.9157 4.9157 4.9177 4.9177 k = 0.5000 0.3075 0.3219 ( 32178 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4809 -25.4809 -25.4809 -25.4809 -25.4792 -25.4792 -25.4792 -25.4792 -10.2281 -10.2281 -10.2281 -10.2281 -10.2153 -10.2153 -10.2151 -10.2151 -9.4026 -9.4026 -9.4021 -9.4021 -9.3970 -9.3970 -9.3920 -9.3920 -9.3197 -9.3197 -9.3193 -9.3193 -9.2997 -9.2997 -9.2941 -9.2941 -3.3059 -3.3059 -3.3055 -3.3055 -3.2037 -3.2037 -3.2028 -3.2028 -1.6712 -1.6712 -1.6711 -1.6711 -1.3211 -1.3211 -1.3191 -1.3191 -1.1654 -1.1654 -1.1653 -1.1653 -1.1243 -1.1243 -1.1219 -1.1219 3.7636 3.7636 3.7637 3.7637 3.9672 3.9672 3.9677 3.9677 4.9561 4.9561 4.9582 4.9582 k = 0.5000 0.2894 0.3219 ( 32166 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4809 -25.4809 -25.4809 -25.4809 -25.4793 -25.4793 -25.4793 -25.4793 -10.2276 -10.2276 -10.2276 -10.2276 -10.2154 -10.2154 -10.2153 -10.2153 -9.4008 -9.4008 -9.4007 -9.4007 -9.3965 -9.3965 -9.3912 -9.3912 -9.3208 -9.3208 -9.3206 -9.3206 -9.3015 -9.3015 -9.2956 -9.2956 -3.3097 -3.3097 -3.3094 -3.3094 -3.2020 -3.2020 -3.2011 -3.2011 -1.6661 -1.6661 -1.6660 -1.6660 -1.3154 -1.3154 -1.3131 -1.3131 -1.1710 -1.1710 -1.1709 -1.1709 -1.1251 -1.1251 -1.1224 -1.1224 3.7459 3.7459 3.7461 3.7461 3.9452 3.9452 3.9458 3.9458 5.0004 5.0004 5.0027 5.0027 k = 0.5000 0.2713 0.3219 ( 32168 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4808 -25.4808 -25.4808 -25.4808 -25.4793 -25.4793 -25.4793 -25.4793 -10.2271 -10.2271 -10.2270 -10.2270 -10.2155 -10.2155 -10.2154 -10.2154 -9.3992 -9.3992 -9.3988 -9.3988 -9.3955 -9.3955 -9.3903 -9.3903 -9.3226 -9.3226 -9.3216 -9.3216 -9.3036 -9.3036 -9.2973 -9.2973 -3.3128 -3.3128 -3.3127 -3.3127 -3.2014 -3.2014 -3.2006 -3.2006 -1.6589 -1.6589 -1.6589 -1.6589 -1.3099 -1.3099 -1.3073 -1.3073 -1.1766 -1.1766 -1.1765 -1.1765 -1.1267 -1.1267 -1.1239 -1.1239 3.7272 3.7272 3.7274 3.7274 3.9212 3.9212 3.9219 3.9219 5.0479 5.0479 5.0502 5.0502 k = 0.5000 0.2532 0.3219 ( 32180 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4808 -25.4808 -25.4808 -25.4808 -25.4794 -25.4794 -25.4794 -25.4794 -10.2265 -10.2265 -10.2265 -10.2265 -10.2156 -10.2156 -10.2155 -10.2155 -9.3974 -9.3974 -9.3971 -9.3971 -9.3940 -9.3940 -9.3892 -9.3892 -9.3245 -9.3245 -9.3229 -9.3229 -9.3059 -9.3059 -9.2992 -9.2992 -3.3154 -3.3154 -3.3153 -3.3153 -3.2019 -3.2019 -3.2011 -3.2011 -1.6499 -1.6499 -1.6498 -1.6498 -1.3048 -1.3048 -1.3018 -1.3018 -1.1822 -1.1822 -1.1820 -1.1820 -1.1293 -1.1293 -1.1262 -1.1262 3.7081 3.7081 3.7082 3.7082 3.8956 3.8956 3.8964 3.8964 5.0979 5.0979 5.1002 5.1002 k = 0.5000 0.2351 0.3219 ( 32168 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4808 -25.4808 -25.4808 -25.4808 -25.4794 -25.4794 -25.4794 -25.4794 -10.2259 -10.2259 -10.2258 -10.2258 -10.2157 -10.2157 -10.2156 -10.2156 -9.3957 -9.3957 -9.3955 -9.3955 -9.3918 -9.3918 -9.3879 -9.3879 -9.3267 -9.3267 -9.3244 -9.3244 -9.3083 -9.3083 -9.3014 -9.3014 -3.3173 -3.3173 -3.3172 -3.3172 -3.2034 -3.2034 -3.2028 -3.2028 -1.6390 -1.6390 -1.6388 -1.6388 -1.3003 -1.3003 -1.2970 -1.2970 -1.1875 -1.1875 -1.1873 -1.1873 -1.1327 -1.1327 -1.1294 -1.1294 3.6891 3.6891 3.6892 3.6892 3.8689 3.8689 3.8698 3.8698 5.1499 5.1499 5.1522 5.1522 k = 0.5000 0.2170 0.3219 ( 32156 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4807 -25.4807 -25.4807 -25.4807 -25.4795 -25.4795 -25.4795 -25.4795 -10.2253 -10.2253 -10.2252 -10.2252 -10.2158 -10.2158 -10.2157 -10.2157 -9.3943 -9.3943 -9.3934 -9.3934 -9.3892 -9.3892 -9.3864 -9.3864 -9.3290 -9.3290 -9.3260 -9.3260 -9.3109 -9.3109 -9.3038 -9.3038 -3.3186 -3.3186 -3.3185 -3.3185 -3.2060 -3.2060 -3.2055 -3.2055 -1.6264 -1.6264 -1.6260 -1.6260 -1.2967 -1.2967 -1.2930 -1.2930 -1.1924 -1.1924 -1.1922 -1.1922 -1.1369 -1.1369 -1.1334 -1.1334 3.6706 3.6706 3.6707 3.6707 3.8415 3.8415 3.8424 3.8424 5.2035 5.2035 5.2059 5.2059 k = 0.5000 0.1990 0.3219 ( 32164 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4807 -25.4807 -25.4807 -25.4807 -25.4795 -25.4795 -25.4795 -25.4795 -10.2247 -10.2247 -10.2246 -10.2246 -10.2159 -10.2159 -10.2158 -10.2158 -9.3928 -9.3928 -9.3911 -9.3911 -9.3864 -9.3864 -9.3849 -9.3849 -9.3314 -9.3314 -9.3279 -9.3279 -9.3137 -9.3137 -9.3064 -9.3064 -3.3192 -3.3192 -3.3190 -3.3190 -3.2095 -3.2095 -3.2091 -3.2091 -1.6121 -1.6121 -1.6116 -1.6116 -1.2942 -1.2942 -1.2901 -1.2901 -1.1968 -1.1968 -1.1967 -1.1967 -1.1419 -1.1419 -1.1382 -1.1382 3.6531 3.6531 3.6532 3.6532 3.8138 3.8138 3.8148 3.8148 5.2586 5.2586 5.2610 5.2610 k = 0.5000 0.1809 0.3219 ( 32160 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4806 -25.4806 -25.4806 -25.4806 -25.4796 -25.4796 -25.4796 -25.4796 -10.2241 -10.2241 -10.2239 -10.2239 -10.2160 -10.2160 -10.2159 -10.2159 -9.3912 -9.3912 -9.3887 -9.3887 -9.3834 -9.3834 -9.3831 -9.3831 -9.3340 -9.3340 -9.3298 -9.3298 -9.3167 -9.3167 -9.3091 -9.3091 -3.3191 -3.3191 -3.3188 -3.3188 -3.2139 -3.2139 -3.2135 -3.2135 -1.5963 -1.5963 -1.5956 -1.5956 -1.2933 -1.2933 -1.2888 -1.2888 -1.2005 -1.2005 -1.2004 -1.2004 -1.1474 -1.1474 -1.1435 -1.1435 3.6369 3.6369 3.6369 3.6369 3.7864 3.7864 3.7874 3.7874 5.3150 5.3150 5.3174 5.3174 k = 0.5000 0.1628 0.3219 ( 32152 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4806 -25.4806 -25.4806 -25.4806 -25.4796 -25.4796 -25.4796 -25.4796 -10.2235 -10.2235 -10.2233 -10.2233 -10.2161 -10.2161 -10.2160 -10.2160 -9.3894 -9.3894 -9.3861 -9.3861 -9.3813 -9.3813 -9.3803 -9.3803 -9.3366 -9.3366 -9.3319 -9.3319 -9.3197 -9.3197 -9.3121 -9.3121 -3.3183 -3.3183 -3.3179 -3.3179 -3.2190 -3.2190 -3.2187 -3.2187 -1.5792 -1.5792 -1.5783 -1.5783 -1.2942 -1.2942 -1.2893 -1.2893 -1.2035 -1.2035 -1.2032 -1.2032 -1.1532 -1.1532 -1.1492 -1.1492 3.6221 3.6221 3.6221 3.6221 3.7595 3.7595 3.7606 3.7606 5.3728 5.3728 5.3752 5.3752 k = 0.5000 0.1447 0.3219 ( 32140 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4805 -25.4805 -25.4805 -25.4805 -25.4797 -25.4797 -25.4797 -25.4797 -10.2229 -10.2229 -10.2227 -10.2227 -10.2163 -10.2163 -10.2161 -10.2161 -9.3875 -9.3875 -9.3834 -9.3834 -9.3793 -9.3793 -9.3772 -9.3772 -9.3393 -9.3393 -9.3341 -9.3341 -9.3229 -9.3229 -9.3152 -9.3152 -3.3167 -3.3167 -3.3163 -3.3163 -3.2247 -3.2247 -3.2246 -3.2246 -1.5609 -1.5609 -1.5598 -1.5598 -1.2973 -1.2973 -1.2921 -1.2921 -1.2055 -1.2055 -1.2050 -1.2050 -1.1592 -1.1592 -1.1552 -1.1552 3.6090 3.6090 3.6092 3.6092 3.7337 3.7337 3.7347 3.7347 5.4320 5.4320 5.4343 5.4343 k = 0.5000 0.1266 0.3219 ( 32134 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4805 -25.4805 -25.4805 -25.4805 -25.4797 -25.4797 -25.4797 -25.4797 -10.2222 -10.2222 -10.2220 -10.2220 -10.2164 -10.2164 -10.2163 -10.2163 -9.3854 -9.3854 -9.3807 -9.3807 -9.3772 -9.3772 -9.3739 -9.3739 -9.3420 -9.3420 -9.3363 -9.3363 -9.3261 -9.3261 -9.3184 -9.3184 -3.3145 -3.3145 -3.3139 -3.3139 -3.2310 -3.2310 -3.2309 -3.2309 -1.5417 -1.5417 -1.5404 -1.5404 -1.3027 -1.3027 -1.2975 -1.2975 -1.2064 -1.2064 -1.2059 -1.2059 -1.1651 -1.1651 -1.1611 -1.1611 3.5980 3.5980 3.5982 3.5982 3.7091 3.7091 3.7101 3.7101 5.4925 5.4925 5.4949 5.4949 k = 0.5000 0.1085 0.3219 ( 32126 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4804 -25.4804 -25.4804 -25.4804 -25.4798 -25.4798 -25.4798 -25.4798 -10.2216 -10.2216 -10.2214 -10.2214 -10.2166 -10.2166 -10.2165 -10.2165 -9.3832 -9.3832 -9.3779 -9.3779 -9.3751 -9.3751 -9.3708 -9.3708 -9.3445 -9.3445 -9.3386 -9.3386 -9.3294 -9.3294 -9.3218 -9.3218 -3.3115 -3.3115 -3.3110 -3.3110 -3.2376 -3.2376 -3.2376 -3.2376 -1.5218 -1.5218 -1.5202 -1.5202 -1.3105 -1.3105 -1.3054 -1.3054 -1.2064 -1.2064 -1.2058 -1.2058 -1.1707 -1.1707 -1.1668 -1.1668 3.5890 3.5890 3.5893 3.5893 3.6862 3.6862 3.6872 3.6872 5.5545 5.5545 5.5569 5.5569 k = 0.5000 0.0904 0.3219 ( 32140 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4804 -25.4804 -25.4804 -25.4804 -25.4798 -25.4798 -25.4798 -25.4798 -10.2210 -10.2210 -10.2208 -10.2208 -10.2168 -10.2168 -10.2167 -10.2167 -9.3809 -9.3809 -9.3752 -9.3752 -9.3728 -9.3728 -9.3679 -9.3679 -9.3468 -9.3468 -9.3408 -9.3408 -9.3327 -9.3327 -9.3253 -9.3253 -3.3079 -3.3079 -3.3073 -3.3073 -3.2446 -3.2446 -3.2445 -3.2445 -1.5013 -1.5013 -1.4995 -1.4995 -1.3207 -1.3207 -1.3157 -1.3157 -1.2058 -1.2058 -1.2051 -1.2051 -1.1758 -1.1758 -1.1720 -1.1720 3.5823 3.5823 3.5827 3.5827 3.6653 3.6653 3.6662 3.6662 5.6181 5.6181 5.6205 5.6205 k = 0.5000 0.0723 0.3219 ( 32146 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4803 -25.4803 -25.4803 -25.4803 -25.4799 -25.4799 -25.4799 -25.4799 -10.2205 -10.2205 -10.2203 -10.2203 -10.2171 -10.2171 -10.2169 -10.2169 -9.3784 -9.3784 -9.3725 -9.3725 -9.3706 -9.3706 -9.3655 -9.3655 -9.3486 -9.3486 -9.3429 -9.3429 -9.3359 -9.3359 -9.3288 -9.3288 -3.3037 -3.3037 -3.3031 -3.3031 -3.2517 -3.2517 -3.2515 -3.2515 -1.4806 -1.4806 -1.4785 -1.4785 -1.3330 -1.3330 -1.3283 -1.3283 -1.2047 -1.2047 -1.2040 -1.2040 -1.1803 -1.1803 -1.1767 -1.1767 3.5779 3.5779 3.5783 3.5783 3.6466 3.6466 3.6475 3.6475 5.6832 5.6832 5.6856 5.6856 k = 0.5000 0.0543 0.3219 ( 32122 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4803 -25.4803 -25.4803 -25.4803 -25.4799 -25.4799 -25.4799 -25.4799 -10.2199 -10.2199 -10.2197 -10.2197 -10.2174 -10.2174 -10.2172 -10.2172 -9.3759 -9.3759 -9.3701 -9.3701 -9.3685 -9.3685 -9.3643 -9.3643 -9.3491 -9.3491 -9.3447 -9.3447 -9.3390 -9.3390 -9.3324 -9.3324 -3.2990 -3.2990 -3.2984 -3.2984 -3.2587 -3.2587 -3.2584 -3.2584 -1.4599 -1.4599 -1.4575 -1.4575 -1.3471 -1.3471 -1.3428 -1.3428 -1.2034 -1.2034 -1.2026 -1.2026 -1.1840 -1.1840 -1.1807 -1.1807 3.5758 3.5758 3.5763 3.5763 3.6304 3.6304 3.6313 3.6313 5.7497 5.7497 5.7523 5.7523 k = 0.5000 0.0362 0.3219 ( 32108 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4802 -25.4802 -25.4802 -25.4802 -25.4800 -25.4800 -25.4800 -25.4800 -10.2194 -10.2194 -10.2192 -10.2192 -10.2177 -10.2177 -10.2175 -10.2175 -9.3733 -9.3733 -9.3680 -9.3680 -9.3667 -9.3667 -9.3646 -9.3646 -9.3482 -9.3482 -9.3460 -9.3460 -9.3418 -9.3418 -9.3359 -9.3359 -3.2938 -3.2938 -3.2933 -3.2933 -3.2656 -3.2656 -3.2652 -3.2652 -1.4395 -1.4395 -1.4367 -1.4367 -1.3629 -1.3629 -1.3590 -1.3590 -1.2021 -1.2021 -1.2012 -1.2012 -1.1870 -1.1870 -1.1839 -1.1839 3.5757 3.5757 3.5763 3.5763 3.6173 3.6173 3.6181 3.6181 5.8177 5.8177 5.8204 5.8204 k = 0.5000 0.0181 0.3219 ( 32108 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4801 -25.4801 -25.4801 -25.4801 -25.4800 -25.4800 -25.4800 -25.4800 -10.2190 -10.2190 -10.2187 -10.2187 -10.2180 -10.2180 -10.2179 -10.2179 -9.3707 -9.3707 -9.3664 -9.3664 -9.3660 -9.3660 -9.3656 -9.3656 -9.3465 -9.3465 -9.3459 -9.3459 -9.3442 -9.3442 -9.3394 -9.3394 -3.2887 -3.2887 -3.2883 -3.2883 -3.2717 -3.2717 -3.2712 -3.2712 -1.4197 -1.4197 -1.4165 -1.4165 -1.3799 -1.3799 -1.3765 -1.3765 -1.2010 -1.2010 -1.2000 -1.2000 -1.1890 -1.1890 -1.1860 -1.1860 3.5770 3.5770 3.5776 3.5776 3.6080 3.6080 3.6088 3.6088 5.8867 5.8867 5.8897 5.8897 k = 0.5000-0.0000 0.3219 ( 32124 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4801 -25.4801 -25.4801 -25.4801 -25.4801 -25.4801 -25.4801 -25.4801 -10.2187 -10.2187 -10.2184 -10.2184 -10.2183 -10.2183 -10.2182 -10.2182 -9.3685 -9.3685 -9.3679 -9.3679 -9.3657 -9.3657 -9.3653 -9.3653 -9.3462 -9.3462 -9.3455 -9.3455 -9.3435 -9.3435 -9.3421 -9.3421 -3.2858 -3.2858 -3.2854 -3.2854 -3.2749 -3.2749 -3.2744 -3.2744 -1.4052 -1.4052 -1.4009 -1.4009 -1.3934 -1.3934 -1.3911 -1.3911 -1.2005 -1.2005 -1.1996 -1.1996 -1.1898 -1.1898 -1.1868 -1.1868 3.5779 3.5779 3.5785 3.5785 3.6045 3.6045 3.6053 3.6053 5.9476 5.9476 5.9518 5.9518 k = 0.5000-0.0000 0.3219 ( 32124 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4801 -25.4801 -25.4801 -25.4801 -25.4801 -25.4801 -25.4801 -25.4801 -10.2187 -10.2187 -10.2184 -10.2184 -10.2183 -10.2183 -10.2182 -10.2182 -9.3685 -9.3685 -9.3679 -9.3679 -9.3657 -9.3657 -9.3653 -9.3653 -9.3462 -9.3462 -9.3455 -9.3455 -9.3435 -9.3435 -9.3421 -9.3421 -3.2858 -3.2858 -3.2854 -3.2854 -3.2749 -3.2749 -3.2744 -3.2744 -1.4052 -1.4052 -1.4009 -1.4009 -1.3934 -1.3934 -1.3911 -1.3911 -1.2005 -1.2005 -1.1996 -1.1996 -1.1898 -1.1898 -1.1868 -1.1868 3.5779 3.5779 3.5785 3.5785 3.6045 3.6045 3.6053 3.6053 5.9476 5.9476 5.9518 5.9518 k = 0.5000-0.0000 0.3040 ( 32134 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4803 -25.4803 -25.4803 -25.4803 -25.4799 -25.4799 -25.4799 -25.4799 -10.2196 -10.2196 -10.2194 -10.2194 -10.2174 -10.2174 -10.2172 -10.2172 -9.3691 -9.3691 -9.3677 -9.3677 -9.3663 -9.3663 -9.3653 -9.3653 -9.3480 -9.3480 -9.3450 -9.3450 -9.3432 -9.3432 -9.3403 -9.3403 -3.2890 -3.2890 -3.2886 -3.2886 -3.2717 -3.2717 -3.2712 -3.2712 -1.4103 -1.4103 -1.4067 -1.4067 -1.3893 -1.3893 -1.3863 -1.3863 -1.2020 -1.2020 -1.2006 -1.2006 -1.1874 -1.1874 -1.1849 -1.1849 3.5630 3.5630 3.5637 3.5637 3.6205 3.6205 3.6213 3.6213 5.9193 5.9193 5.9226 5.9226 k = 0.5000-0.0000 0.2862 ( 32124 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4804 -25.4804 -25.4804 -25.4804 -25.4798 -25.4798 -25.4798 -25.4798 -10.2207 -10.2207 -10.2205 -10.2205 -10.2163 -10.2163 -10.2161 -10.2161 -9.3702 -9.3702 -9.3676 -9.3676 -9.3675 -9.3675 -9.3654 -9.3654 -9.3494 -9.3494 -9.3465 -9.3465 -9.3403 -9.3403 -9.3377 -9.3377 -3.2948 -3.2948 -3.2944 -3.2944 -3.2659 -3.2659 -3.2653 -3.2653 -1.4193 -1.4193 -1.4163 -1.4163 -1.3832 -1.3832 -1.3796 -1.3796 -1.2042 -1.2042 -1.2022 -1.2022 -1.1824 -1.1824 -1.1804 -1.1804 3.5411 3.5411 3.5417 3.5417 3.6463 3.6463 3.6470 3.6470 5.8847 5.8847 5.8878 5.8878 k = 0.5000-0.0000 0.2683 ( 32110 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4806 -25.4806 -25.4806 -25.4806 -25.4796 -25.4796 -25.4796 -25.4796 -10.2219 -10.2219 -10.2216 -10.2216 -10.2153 -10.2153 -10.2151 -10.2151 -9.3718 -9.3718 -9.3693 -9.3693 -9.3677 -9.3677 -9.3657 -9.3657 -9.3503 -9.3503 -9.3476 -9.3476 -9.3372 -9.3372 -9.3348 -9.3348 -3.3010 -3.3010 -3.3006 -3.3006 -3.2595 -3.2595 -3.2590 -3.2590 -1.4293 -1.4293 -1.4266 -1.4266 -1.3780 -1.3780 -1.3742 -1.3742 -1.2055 -1.2055 -1.2031 -1.2031 -1.1763 -1.1763 -1.1748 -1.1748 3.5195 3.5195 3.5201 3.5201 3.6740 3.6740 3.6747 3.6747 5.8518 5.8518 5.8548 5.8548 k = 0.5000-0.0000 0.2504 ( 32128 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4807 -25.4807 -25.4807 -25.4807 -25.4795 -25.4795 -25.4795 -25.4795 -10.2230 -10.2230 -10.2227 -10.2227 -10.2143 -10.2143 -10.2141 -10.2141 -9.3736 -9.3736 -9.3714 -9.3714 -9.3679 -9.3679 -9.3661 -9.3661 -9.3507 -9.3507 -9.3483 -9.3483 -9.3340 -9.3340 -9.3318 -9.3318 -3.3071 -3.3071 -3.3067 -3.3067 -3.2532 -3.2532 -3.2527 -3.2527 -1.4396 -1.4396 -1.4372 -1.4372 -1.3743 -1.3743 -1.3703 -1.3703 -1.2055 -1.2055 -1.2028 -1.2028 -1.1698 -1.1698 -1.1686 -1.1686 3.4992 3.4992 3.4997 3.4997 3.7027 3.7027 3.7035 3.7035 5.8212 5.8212 5.8241 5.8241 k = 0.5000-0.0000 0.2325 ( 32150 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4809 -25.4809 -25.4809 -25.4809 -25.4793 -25.4793 -25.4793 -25.4793 -10.2240 -10.2240 -10.2238 -10.2238 -10.2133 -10.2133 -10.2131 -10.2131 -9.3757 -9.3757 -9.3739 -9.3739 -9.3682 -9.3682 -9.3666 -9.3666 -9.3508 -9.3508 -9.3487 -9.3487 -9.3307 -9.3307 -9.3288 -9.3288 -3.3132 -3.3132 -3.3128 -3.3128 -3.2469 -3.2469 -3.2464 -3.2464 -1.4499 -1.4499 -1.4479 -1.4479 -1.3722 -1.3722 -1.3681 -1.3681 -1.2040 -1.2040 -1.2012 -1.2012 -1.1631 -1.1631 -1.1622 -1.1622 3.4802 3.4802 3.4807 3.4807 3.7322 3.7322 3.7330 3.7330 5.7933 5.7933 5.7960 5.7960 k = 0.5000-0.0000 0.2146 ( 32160 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4810 -25.4810 -25.4810 -25.4810 -25.4792 -25.4792 -25.4792 -25.4792 -10.2251 -10.2251 -10.2249 -10.2249 -10.2124 -10.2124 -10.2122 -10.2122 -9.3779 -9.3779 -9.3764 -9.3764 -9.3686 -9.3686 -9.3672 -9.3672 -9.3506 -9.3506 -9.3489 -9.3489 -9.3275 -9.3275 -9.3257 -9.3257 -3.3189 -3.3189 -3.3186 -3.3186 -3.2409 -3.2409 -3.2404 -3.2404 -1.4601 -1.4601 -1.4583 -1.4583 -1.3716 -1.3716 -1.3676 -1.3676 -1.2011 -1.2011 -1.1982 -1.1982 -1.1563 -1.1563 -1.1557 -1.1557 3.4626 3.4626 3.4631 3.4631 3.7621 3.7621 3.7629 3.7629 5.7682 5.7682 5.7708 5.7708 k = 0.5000-0.0000 0.1967 ( 32170 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4811 -25.4811 -25.4811 -25.4811 -25.4791 -25.4791 -25.4791 -25.4791 -10.2261 -10.2261 -10.2259 -10.2259 -10.2115 -10.2115 -10.2114 -10.2114 -9.3802 -9.3802 -9.3789 -9.3789 -9.3691 -9.3691 -9.3678 -9.3678 -9.3503 -9.3503 -9.3488 -9.3488 -9.3243 -9.3243 -9.3228 -9.3228 -3.3245 -3.3245 -3.3241 -3.3241 -3.2351 -3.2351 -3.2346 -3.2346 -1.4700 -1.4700 -1.4684 -1.4684 -1.3724 -1.3724 -1.3686 -1.3686 -1.1970 -1.1970 -1.1942 -1.1942 -1.1498 -1.1498 -1.1493 -1.1493 3.4466 3.4466 3.4470 3.4470 3.7921 3.7921 3.7928 3.7928 5.7460 5.7460 5.7486 5.7486 k = 0.5000-0.0000 0.1789 ( 32160 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4813 -25.4813 -25.4813 -25.4813 -25.4789 -25.4789 -25.4789 -25.4789 -10.2270 -10.2270 -10.2269 -10.2269 -10.2107 -10.2107 -10.2106 -10.2106 -9.3824 -9.3824 -9.3813 -9.3813 -9.3695 -9.3695 -9.3684 -9.3684 -9.3499 -9.3499 -9.3487 -9.3487 -9.3213 -9.3213 -9.3199 -9.3199 -3.3296 -3.3296 -3.3293 -3.3293 -3.2296 -3.2296 -3.2291 -3.2291 -1.4794 -1.4794 -1.4780 -1.4780 -1.3741 -1.3741 -1.3706 -1.3706 -1.1921 -1.1921 -1.1894 -1.1894 -1.1434 -1.1434 -1.1432 -1.1432 3.4320 3.4320 3.4324 3.4324 3.8217 3.8217 3.8225 3.8225 5.7269 5.7269 5.7294 5.7294 k = 0.5000-0.0000 0.1610 ( 32160 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4814 -25.4814 -25.4814 -25.4814 -25.4788 -25.4788 -25.4788 -25.4788 -10.2279 -10.2279 -10.2278 -10.2278 -10.2100 -10.2100 -10.2098 -10.2098 -9.3845 -9.3845 -9.3837 -9.3837 -9.3699 -9.3699 -9.3690 -9.3690 -9.3495 -9.3495 -9.3485 -9.3485 -9.3185 -9.3185 -9.3172 -9.3172 -3.3344 -3.3344 -3.3342 -3.3342 -3.2244 -3.2244 -3.2240 -3.2240 -1.4882 -1.4882 -1.4870 -1.4870 -1.3767 -1.3767 -1.3734 -1.3734 -1.1866 -1.1866 -1.1841 -1.1841 -1.1375 -1.1375 -1.1373 -1.1373 3.4189 3.4189 3.4192 3.4192 3.8507 3.8507 3.8514 3.8514 5.7110 5.7110 5.7133 5.7133 k = 0.5000-0.0000 0.1431 ( 32174 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4815 -25.4815 -25.4815 -25.4815 -25.4787 -25.4787 -25.4787 -25.4787 -10.2288 -10.2288 -10.2286 -10.2286 -10.2093 -10.2093 -10.2092 -10.2092 -9.3865 -9.3865 -9.3858 -9.3858 -9.3704 -9.3704 -9.3695 -9.3695 -9.3491 -9.3491 -9.3482 -9.3482 -9.3158 -9.3158 -9.3148 -9.3148 -3.3388 -3.3388 -3.3386 -3.3386 -3.2197 -3.2197 -3.2193 -3.2193 -1.4963 -1.4963 -1.4952 -1.4952 -1.3796 -1.3796 -1.3767 -1.3767 -1.1809 -1.1809 -1.1787 -1.1787 -1.1319 -1.1319 -1.1319 -1.1319 3.4072 3.4072 3.4075 3.4075 3.8786 3.8786 3.8792 3.8792 5.6981 5.6981 5.7003 5.7003 k = 0.5000-0.0000 0.1252 ( 32170 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4816 -25.4816 -25.4816 -25.4816 -25.4786 -25.4786 -25.4786 -25.4786 -10.2295 -10.2295 -10.2294 -10.2294 -10.2087 -10.2087 -10.2086 -10.2086 -9.3883 -9.3883 -9.3878 -9.3878 -9.3708 -9.3708 -9.3700 -9.3700 -9.3487 -9.3487 -9.3480 -9.3480 -9.3134 -9.3134 -9.3125 -9.3125 -3.3428 -3.3428 -3.3426 -3.3426 -3.2154 -3.2154 -3.2150 -3.2150 -1.5037 -1.5037 -1.5027 -1.5027 -1.3828 -1.3828 -1.3802 -1.3802 -1.1753 -1.1753 -1.1734 -1.1734 -1.1269 -1.1269 -1.1269 -1.1269 3.3970 3.3970 3.3973 3.3973 3.9048 3.9048 3.9054 3.9054 5.6883 5.6883 5.6903 5.6903 k = 0.5000-0.0000 0.1073 ( 32176 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4817 -25.4817 -25.4817 -25.4817 -25.4785 -25.4785 -25.4785 -25.4785 -10.2302 -10.2302 -10.2301 -10.2301 -10.2082 -10.2082 -10.2081 -10.2081 -9.3899 -9.3899 -9.3895 -9.3895 -9.3711 -9.3711 -9.3705 -9.3705 -9.3483 -9.3483 -9.3477 -9.3477 -9.3113 -9.3113 -9.3105 -9.3105 -3.3463 -3.3463 -3.3461 -3.3461 -3.2116 -3.2116 -3.2113 -3.2113 -1.5102 -1.5102 -1.5094 -1.5094 -1.3859 -1.3859 -1.3837 -1.3837 -1.1701 -1.1701 -1.1684 -1.1684 -1.1224 -1.1224 -1.1224 -1.1224 3.3882 3.3882 3.3884 3.3884 3.9290 3.9290 3.9296 3.9296 5.6813 5.6813 5.6832 5.6832 k = 0.5000-0.0000 0.0894 ( 32170 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4817 -25.4817 -25.4817 -25.4817 -25.4785 -25.4785 -25.4785 -25.4785 -10.2308 -10.2308 -10.2307 -10.2307 -10.2077 -10.2077 -10.2077 -10.2077 -9.3913 -9.3913 -9.3910 -9.3910 -9.3714 -9.3714 -9.3709 -9.3709 -9.3480 -9.3480 -9.3475 -9.3475 -9.3094 -9.3094 -9.3088 -9.3088 -3.3492 -3.3492 -3.3491 -3.3491 -3.2083 -3.2083 -3.2080 -3.2080 -1.5157 -1.5157 -1.5151 -1.5151 -1.3888 -1.3888 -1.3869 -1.3869 -1.1654 -1.1654 -1.1640 -1.1640 -1.1185 -1.1185 -1.1185 -1.1185 3.3808 3.3808 3.3810 3.3810 3.9506 3.9506 3.9511 3.9511 5.6770 5.6770 5.6786 5.6786 k = 0.5000-0.0000 0.0715 ( 32158 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4818 -25.4818 -25.4818 -25.4818 -25.4784 -25.4784 -25.4784 -25.4784 -10.2312 -10.2312 -10.2312 -10.2312 -10.2074 -10.2074 -10.2073 -10.2073 -9.3925 -9.3925 -9.3922 -9.3922 -9.3716 -9.3716 -9.3712 -9.3712 -9.3477 -9.3477 -9.3473 -9.3473 -9.3078 -9.3078 -9.3073 -9.3073 -3.3517 -3.3517 -3.3516 -3.3516 -3.2056 -3.2056 -3.2054 -3.2054 -1.5204 -1.5204 -1.5199 -1.5199 -1.3913 -1.3913 -1.3898 -1.3898 -1.1613 -1.1613 -1.1602 -1.1602 -1.1153 -1.1153 -1.1152 -1.1152 3.3747 3.3747 3.3749 3.3749 3.9691 3.9691 3.9695 3.9695 5.6749 5.6749 5.6763 5.6763 k = 0.5000-0.0000 0.0537 ( 32144 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4818 -25.4818 -25.4818 -25.4818 -25.4783 -25.4783 -25.4783 -25.4783 -10.2316 -10.2316 -10.2316 -10.2316 -10.2071 -10.2071 -10.2070 -10.2070 -9.3934 -9.3934 -9.3932 -9.3932 -9.3718 -9.3718 -9.3715 -9.3715 -9.3474 -9.3474 -9.3472 -9.3472 -9.3066 -9.3066 -9.3062 -9.3062 -3.3536 -3.3536 -3.3536 -3.3536 -3.2034 -3.2034 -3.2032 -3.2032 -1.5240 -1.5240 -1.5236 -1.5236 -1.3933 -1.3933 -1.3922 -1.3922 -1.1580 -1.1580 -1.1572 -1.1572 -1.1127 -1.1127 -1.1126 -1.1126 3.3701 3.3701 3.3702 3.3702 3.9841 3.9841 3.9844 3.9844 5.6744 5.6744 5.6755 5.6755 k = 0.5000-0.0000 0.0358 ( 32148 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4819 -25.4819 -25.4819 -25.4819 -25.4783 -25.4783 -25.4783 -25.4783 -10.2319 -10.2319 -10.2318 -10.2318 -10.2069 -10.2069 -10.2068 -10.2068 -9.3941 -9.3941 -9.3939 -9.3939 -9.3719 -9.3719 -9.3717 -9.3717 -9.3472 -9.3472 -9.3471 -9.3471 -9.3057 -9.3057 -9.3054 -9.3054 -3.3550 -3.3550 -3.3550 -3.3550 -3.2018 -3.2018 -3.2017 -3.2017 -1.5266 -1.5266 -1.5263 -1.5263 -1.3948 -1.3948 -1.3940 -1.3940 -1.1555 -1.1555 -1.1550 -1.1550 -1.1108 -1.1108 -1.1108 -1.1108 3.3668 3.3668 3.3668 3.3668 3.9951 3.9951 3.9953 3.9953 5.6749 5.6749 5.6757 5.6757 k = 0.5000-0.0000 0.0179 ( 32136 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4819 -25.4819 -25.4819 -25.4819 -25.4783 -25.4783 -25.4783 -25.4783 -10.2320 -10.2320 -10.2320 -10.2320 -10.2067 -10.2067 -10.2067 -10.2067 -9.3944 -9.3944 -9.3944 -9.3944 -9.3720 -9.3720 -9.3719 -9.3719 -9.3471 -9.3471 -9.3470 -9.3470 -9.3051 -9.3051 -9.3050 -9.3050 -3.3559 -3.3559 -3.3558 -3.3558 -3.2009 -3.2009 -3.2008 -3.2008 -1.5281 -1.5281 -1.5280 -1.5280 -1.3956 -1.3956 -1.3952 -1.3952 -1.1540 -1.1540 -1.1537 -1.1537 -1.1097 -1.1097 -1.1097 -1.1097 3.3648 3.3648 3.3648 3.3648 4.0019 4.0019 4.0020 4.0020 5.6757 5.6757 5.6761 5.6761 k = 0.5000-0.0000-0.0000 ( 32116 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4819 -25.4819 -25.4819 -25.4819 -25.4783 -25.4783 -25.4783 -25.4783 -10.2321 -10.2321 -10.2321 -10.2321 -10.2067 -10.2067 -10.2067 -10.2067 -9.3945 -9.3945 -9.3945 -9.3945 -9.3720 -9.3720 -9.3720 -9.3720 -9.3470 -9.3470 -9.3470 -9.3470 -9.3049 -9.3049 -9.3049 -9.3049 -3.3561 -3.3561 -3.3561 -3.3561 -3.2006 -3.2006 -3.2006 -3.2006 -1.5286 -1.5286 -1.5286 -1.5286 -1.3957 -1.3957 -1.3957 -1.3957 -1.1534 -1.1534 -1.1534 -1.1534 -1.1093 -1.1093 -1.1093 -1.1093 3.3641 3.3641 3.3641 3.3641 4.0042 4.0042 4.0042 4.0042 5.6762 5.6762 5.6762 5.6762 k = 0.0000 0.0000 0.3219 ( 32160 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4839 -25.4839 -25.4839 -25.4839 -25.4767 -25.4767 -25.4767 -25.4767 -10.2417 -10.2417 -10.2417 -10.2417 -10.1883 -10.1883 -10.1883 -10.1883 -9.4109 -9.4109 -9.4109 -9.4109 -9.3570 -9.3570 -9.3570 -9.3570 -9.3402 -9.3402 -9.3402 -9.3402 -9.2842 -9.2842 -9.2842 -9.2842 -3.6533 -3.6533 -3.6533 -3.6533 -3.1187 -3.1187 -3.1187 -3.1187 -1.3762 -1.3762 -1.3762 -1.3762 -1.2844 -1.2844 -1.2844 -1.2844 -1.1909 -1.1909 -1.1909 -1.1909 -0.9940 -0.9940 -0.9940 -0.9940 2.9792 2.9792 2.9792 2.9792 4.4306 4.4306 4.4306 4.4306 5.0959 5.0959 5.0959 5.0959 k = 0.0179-0.0000 0.3219 ( 32158 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4839 -25.4839 -25.4839 -25.4839 -25.4767 -25.4767 -25.4767 -25.4767 -10.2417 -10.2417 -10.2417 -10.2417 -10.1884 -10.1884 -10.1883 -10.1883 -9.4109 -9.4109 -9.4108 -9.4108 -9.3570 -9.3570 -9.3570 -9.3570 -9.3403 -9.3403 -9.3403 -9.3403 -9.2843 -9.2843 -9.2843 -9.2843 -3.6526 -3.6526 -3.6526 -3.6526 -3.1187 -3.1187 -3.1187 -3.1187 -1.3764 -1.3764 -1.3762 -1.3762 -1.2848 -1.2848 -1.2845 -1.2845 -1.1914 -1.1914 -1.1912 -1.1912 -0.9944 -0.9944 -0.9943 -0.9943 2.9802 2.9802 2.9803 2.9803 4.4279 4.4279 4.4280 4.4280 5.0987 5.0987 5.0988 5.0988 k = 0.0357-0.0000 0.3219 ( 32146 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4839 -25.4839 -25.4839 -25.4839 -25.4767 -25.4767 -25.4767 -25.4767 -10.2416 -10.2416 -10.2416 -10.2416 -10.1885 -10.1885 -10.1885 -10.1885 -9.4107 -9.4107 -9.4106 -9.4106 -9.3571 -9.3571 -9.3569 -9.3569 -9.3404 -9.3404 -9.3404 -9.3404 -9.2847 -9.2847 -9.2846 -9.2846 -3.6505 -3.6505 -3.6505 -3.6505 -3.1188 -3.1188 -3.1188 -3.1188 -1.3769 -1.3769 -1.3766 -1.3766 -1.2854 -1.2854 -1.2849 -1.2849 -1.1928 -1.1928 -1.1924 -1.1924 -0.9954 -0.9954 -0.9953 -0.9953 2.9833 2.9833 2.9834 2.9834 4.4202 4.4202 4.4203 4.4203 5.1070 5.1070 5.1072 5.1072 k = 0.0536-0.0000 0.3219 ( 32160 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4839 -25.4839 -25.4839 -25.4839 -25.4767 -25.4767 -25.4767 -25.4767 -10.2414 -10.2414 -10.2414 -10.2414 -10.1888 -10.1888 -10.1887 -10.1887 -9.4104 -9.4104 -9.4102 -9.4102 -9.3572 -9.3572 -9.3569 -9.3569 -9.3406 -9.3406 -9.3405 -9.3405 -9.2854 -9.2854 -9.2853 -9.2853 -3.6471 -3.6471 -3.6471 -3.6471 -3.1190 -3.1190 -3.1189 -3.1189 -1.3777 -1.3777 -1.3773 -1.3773 -1.2865 -1.2865 -1.2857 -1.2857 -1.1950 -1.1950 -1.1944 -1.1944 -0.9970 -0.9970 -0.9969 -0.9969 2.9885 2.9885 2.9885 2.9885 4.4077 4.4077 4.4078 4.4078 5.1208 5.1208 5.1211 5.1211 k = 0.0714-0.0000 0.3219 ( 32170 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4838 -25.4838 -25.4838 -25.4838 -25.4767 -25.4767 -25.4767 -25.4767 -10.2412 -10.2412 -10.2412 -10.2412 -10.1892 -10.1892 -10.1891 -10.1891 -9.4100 -9.4100 -9.4098 -9.4098 -9.3572 -9.3572 -9.3569 -9.3569 -9.3408 -9.3408 -9.3408 -9.3408 -9.2862 -9.2862 -9.2861 -9.2861 -3.6423 -3.6423 -3.6423 -3.6423 -3.1192 -3.1192 -3.1192 -3.1192 -1.3788 -1.3788 -1.3783 -1.3783 -1.2878 -1.2878 -1.2868 -1.2868 -1.1979 -1.1979 -1.1972 -1.1972 -0.9994 -0.9994 -0.9992 -0.9992 2.9957 2.9957 2.9957 2.9957 4.3908 4.3908 4.3908 4.3908 5.1398 5.1398 5.1403 5.1403 k = 0.0893-0.0000 0.3219 ( 32184 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4838 -25.4838 -25.4838 -25.4838 -25.4768 -25.4768 -25.4768 -25.4768 -10.2409 -10.2409 -10.2409 -10.2409 -10.1896 -10.1896 -10.1895 -10.1895 -9.4094 -9.4094 -9.4091 -9.4091 -9.3573 -9.3573 -9.3569 -9.3569 -9.3411 -9.3411 -9.3411 -9.3411 -9.2874 -9.2874 -9.2872 -9.2872 -3.6361 -3.6361 -3.6361 -3.6361 -3.1195 -3.1195 -3.1195 -3.1195 -1.3801 -1.3801 -1.3795 -1.3795 -1.2896 -1.2896 -1.2884 -1.2884 -1.2015 -1.2015 -1.2007 -1.2007 -1.0023 -1.0023 -1.0021 -1.0021 3.0048 3.0048 3.0049 3.0049 4.3699 4.3699 4.3700 4.3700 5.1639 5.1639 5.1645 5.1645 k = 0.1071-0.0000 0.3219 ( 32192 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4837 -25.4837 -25.4837 -25.4837 -25.4768 -25.4768 -25.4768 -25.4768 -10.2406 -10.2406 -10.2405 -10.2405 -10.1902 -10.1902 -10.1901 -10.1901 -9.4087 -9.4087 -9.4084 -9.4084 -9.3573 -9.3573 -9.3568 -9.3568 -9.3415 -9.3415 -9.3414 -9.3414 -9.2887 -9.2887 -9.2885 -9.2885 -3.6287 -3.6287 -3.6287 -3.6287 -3.1200 -3.1200 -3.1200 -3.1200 -1.3817 -1.3817 -1.3810 -1.3810 -1.2916 -1.2916 -1.2904 -1.2904 -1.2056 -1.2056 -1.2048 -1.2048 -1.0060 -1.0060 -1.0057 -1.0057 3.0159 3.0159 3.0160 3.0160 4.3456 4.3456 4.3457 4.3457 5.1928 5.1928 5.1935 5.1935 k = 0.1250-0.0000 0.3219 ( 32192 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4836 -25.4836 -25.4836 -25.4836 -25.4769 -25.4769 -25.4769 -25.4769 -10.2402 -10.2402 -10.2401 -10.2401 -10.1909 -10.1909 -10.1907 -10.1907 -9.4079 -9.4079 -9.4075 -9.4075 -9.3574 -9.3574 -9.3568 -9.3568 -9.3419 -9.3419 -9.3418 -9.3418 -9.2903 -9.2903 -9.2901 -9.2901 -3.6200 -3.6200 -3.6200 -3.6200 -3.1208 -3.1208 -3.1207 -3.1207 -1.3834 -1.3834 -1.3827 -1.3827 -1.2941 -1.2941 -1.2929 -1.2929 -1.2101 -1.2101 -1.2093 -1.2093 -1.0103 -1.0103 -1.0100 -1.0100 3.0289 3.0289 3.0290 3.0290 4.3185 4.3185 4.3185 4.3185 5.2262 5.2262 5.2270 5.2270 k = 0.1429-0.0000 0.3219 ( 32186 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4835 -25.4835 -25.4835 -25.4835 -25.4770 -25.4770 -25.4770 -25.4770 -10.2397 -10.2397 -10.2397 -10.2397 -10.1916 -10.1916 -10.1915 -10.1915 -9.4069 -9.4069 -9.4065 -9.4065 -9.3575 -9.3575 -9.3568 -9.3568 -9.3424 -9.3424 -9.3423 -9.3423 -9.2921 -9.2921 -9.2918 -9.2918 -3.6101 -3.6101 -3.6101 -3.6101 -3.1217 -3.1217 -3.1217 -3.1217 -1.3853 -1.3853 -1.3845 -1.3845 -1.2970 -1.2970 -1.2959 -1.2959 -1.2148 -1.2148 -1.2141 -1.2141 -1.0152 -1.0152 -1.0149 -1.0149 3.0438 3.0438 3.0439 3.0439 4.2889 4.2889 4.2890 4.2890 5.2639 5.2639 5.2647 5.2647 k = 0.1607-0.0000 0.3219 ( 32190 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4834 -25.4834 -25.4834 -25.4834 -25.4771 -25.4771 -25.4771 -25.4771 -10.2392 -10.2392 -10.2391 -10.2391 -10.1925 -10.1925 -10.1923 -10.1923 -9.4058 -9.4058 -9.4053 -9.4053 -9.3575 -9.3575 -9.3568 -9.3568 -9.3429 -9.3429 -9.3428 -9.3428 -9.2941 -9.2941 -9.2938 -9.2938 -3.5991 -3.5991 -3.5991 -3.5991 -3.1230 -3.1230 -3.1229 -3.1229 -1.3872 -1.3872 -1.3865 -1.3865 -1.3003 -1.3003 -1.2993 -1.2993 -1.2195 -1.2195 -1.2190 -1.2190 -1.0208 -1.0208 -1.0205 -1.0205 3.0603 3.0603 3.0605 3.0605 4.2575 4.2575 4.2575 4.2575 5.3056 5.3056 5.3065 5.3065 k = 0.1786-0.0000 0.3219 ( 32200 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4833 -25.4833 -25.4833 -25.4833 -25.4772 -25.4772 -25.4772 -25.4772 -10.2386 -10.2386 -10.2385 -10.2385 -10.1934 -10.1934 -10.1932 -10.1932 -9.4046 -9.4046 -9.4040 -9.4040 -9.3576 -9.3576 -9.3568 -9.3568 -9.3435 -9.3435 -9.3434 -9.3434 -9.2963 -9.2963 -9.2959 -9.2959 -3.5869 -3.5869 -3.5869 -3.5869 -3.1247 -3.1247 -3.1246 -3.1246 -1.3893 -1.3893 -1.3885 -1.3885 -1.3041 -1.3041 -1.3034 -1.3034 -1.2241 -1.2241 -1.2239 -1.2239 -1.0269 -1.0269 -1.0266 -1.0266 3.0786 3.0786 3.0787 3.0787 4.2245 4.2245 4.2246 4.2246 5.3509 5.3509 5.3519 5.3519 k = 0.1964-0.0000 0.3219 ( 32188 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4832 -25.4832 -25.4832 -25.4832 -25.4773 -25.4773 -25.4773 -25.4773 -10.2379 -10.2379 -10.2379 -10.2379 -10.1944 -10.1944 -10.1942 -10.1942 -9.4032 -9.4032 -9.4026 -9.4026 -9.3576 -9.3576 -9.3567 -9.3567 -9.3441 -9.3441 -9.3440 -9.3440 -9.2986 -9.2986 -9.2983 -9.2983 -3.5738 -3.5738 -3.5738 -3.5738 -3.1268 -3.1268 -3.1267 -3.1267 -1.3913 -1.3913 -1.3905 -1.3905 -1.3084 -1.3084 -1.3080 -1.3080 -1.2285 -1.2285 -1.2284 -1.2284 -1.0337 -1.0337 -1.0334 -1.0334 3.0985 3.0985 3.0986 3.0986 4.1904 4.1904 4.1904 4.1904 5.3995 5.3995 5.4006 5.4006 k = 0.2143-0.0000 0.3219 ( 32190 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4831 -25.4831 -25.4831 -25.4831 -25.4774 -25.4774 -25.4774 -25.4774 -10.2372 -10.2372 -10.2371 -10.2371 -10.1955 -10.1955 -10.1953 -10.1953 -9.4018 -9.4018 -9.4011 -9.4011 -9.3576 -9.3576 -9.3567 -9.3567 -9.3448 -9.3448 -9.3447 -9.3447 -9.3011 -9.3011 -9.3007 -9.3007 -3.5597 -3.5597 -3.5597 -3.5597 -3.1294 -3.1294 -3.1293 -3.1293 -1.3933 -1.3933 -1.3926 -1.3926 -1.3132 -1.3132 -1.3131 -1.3131 -1.2326 -1.2326 -1.2323 -1.2323 -1.0411 -1.0411 -1.0408 -1.0408 3.1198 3.1198 3.1200 3.1200 4.1555 4.1555 4.1555 4.1555 5.4509 5.4509 5.4522 5.4522 k = 0.2321-0.0000 0.3219 ( 32198 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4829 -25.4829 -25.4829 -25.4829 -25.4775 -25.4775 -25.4775 -25.4775 -10.2364 -10.2364 -10.2364 -10.2364 -10.1966 -10.1966 -10.1964 -10.1964 -9.4002 -9.4002 -9.3995 -9.3995 -9.3576 -9.3576 -9.3566 -9.3566 -9.3455 -9.3455 -9.3454 -9.3454 -9.3037 -9.3037 -9.3033 -9.3033 -3.5447 -3.5447 -3.5447 -3.5447 -3.1326 -3.1326 -3.1326 -3.1326 -1.3953 -1.3953 -1.3946 -1.3946 -1.3188 -1.3188 -1.3185 -1.3185 -1.2362 -1.2362 -1.2356 -1.2356 -1.0490 -1.0490 -1.0487 -1.0487 3.1426 3.1426 3.1428 3.1428 4.1199 4.1199 4.1199 4.1199 5.5047 5.5047 5.5061 5.5061 k = 0.2500-0.0000 0.3219 ( 32190 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4828 -25.4828 -25.4828 -25.4828 -25.4776 -25.4776 -25.4776 -25.4776 -10.2356 -10.2356 -10.2355 -10.2355 -10.1979 -10.1979 -10.1976 -10.1976 -9.3985 -9.3985 -9.3977 -9.3977 -9.3576 -9.3576 -9.3566 -9.3566 -9.3462 -9.3462 -9.3461 -9.3461 -9.3065 -9.3065 -9.3061 -9.3061 -3.5290 -3.5290 -3.5290 -3.5290 -3.1365 -3.1365 -3.1364 -3.1364 -1.3971 -1.3971 -1.3964 -1.3964 -1.3248 -1.3248 -1.3242 -1.3242 -1.2392 -1.2392 -1.2382 -1.2382 -1.0574 -1.0574 -1.0571 -1.0571 3.1667 3.1667 3.1669 3.1669 4.0840 4.0840 4.0840 4.0840 5.5601 5.5601 5.5617 5.5617 k = 0.2679-0.0000 0.3219 ( 32178 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4826 -25.4826 -25.4826 -25.4826 -25.4778 -25.4778 -25.4778 -25.4778 -10.2347 -10.2347 -10.2346 -10.2346 -10.1991 -10.1991 -10.1989 -10.1989 -9.3966 -9.3966 -9.3959 -9.3959 -9.3575 -9.3575 -9.3565 -9.3565 -9.3469 -9.3469 -9.3468 -9.3468 -9.3093 -9.3093 -9.3089 -9.3089 -3.5125 -3.5125 -3.5125 -3.5125 -3.1411 -3.1411 -3.1410 -3.1410 -1.3989 -1.3989 -1.3982 -1.3982 -1.3312 -1.3312 -1.3304 -1.3304 -1.2413 -1.2413 -1.2402 -1.2402 -1.0663 -1.0663 -1.0660 -1.0660 3.1920 3.1920 3.1922 3.1922 4.0479 4.0479 4.0479 4.0479 5.6162 5.6162 5.6180 5.6180 k = 0.2857-0.0000 0.3219 ( 32180 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4824 -25.4824 -25.4824 -25.4824 -25.4779 -25.4779 -25.4779 -25.4779 -10.2337 -10.2337 -10.2337 -10.2337 -10.2005 -10.2005 -10.2002 -10.2002 -9.3947 -9.3947 -9.3939 -9.3939 -9.3575 -9.3575 -9.3565 -9.3565 -9.3476 -9.3476 -9.3476 -9.3476 -9.3123 -9.3123 -9.3119 -9.3119 -3.4955 -3.4955 -3.4955 -3.4955 -3.1464 -3.1464 -3.1463 -3.1463 -1.4004 -1.4004 -1.3998 -1.3998 -1.3378 -1.3378 -1.3367 -1.3367 -1.2427 -1.2427 -1.2413 -1.2413 -1.0756 -1.0756 -1.0753 -1.0753 3.2185 3.2185 3.2186 3.2186 4.0117 4.0117 4.0117 4.0117 5.6718 5.6718 5.6739 5.6739 k = 0.3036-0.0000 0.3219 ( 32158 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4823 -25.4823 -25.4823 -25.4823 -25.4781 -25.4781 -25.4781 -25.4781 -10.2327 -10.2327 -10.2327 -10.2327 -10.2019 -10.2019 -10.2016 -10.2016 -9.3927 -9.3927 -9.3918 -9.3918 -9.3575 -9.3575 -9.3565 -9.3565 -9.3483 -9.3483 -9.3483 -9.3483 -9.3153 -9.3153 -9.3148 -9.3148 -3.4779 -3.4779 -3.4779 -3.4779 -3.1526 -3.1526 -3.1525 -3.1525 -1.4018 -1.4018 -1.4011 -1.4011 -1.3444 -1.3444 -1.3433 -1.3433 -1.2432 -1.2432 -1.2417 -1.2417 -1.0853 -1.0853 -1.0849 -1.0849 3.2459 3.2459 3.2461 3.2461 3.9756 3.9756 3.9756 3.9756 5.7254 5.7254 5.7278 5.7278 k = 0.3214-0.0000 0.3219 ( 32160 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4821 -25.4821 -25.4821 -25.4821 -25.4782 -25.4782 -25.4782 -25.4782 -10.2316 -10.2316 -10.2316 -10.2316 -10.2033 -10.2033 -10.2030 -10.2030 -9.3906 -9.3906 -9.3897 -9.3897 -9.3575 -9.3575 -9.3565 -9.3565 -9.3489 -9.3489 -9.3489 -9.3489 -9.3183 -9.3183 -9.3179 -9.3179 -3.4600 -3.4600 -3.4600 -3.4600 -3.1596 -3.1596 -3.1595 -3.1595 -1.4030 -1.4030 -1.4023 -1.4023 -1.3510 -1.3510 -1.3498 -1.3498 -1.2429 -1.2429 -1.2414 -1.2414 -1.0952 -1.0952 -1.0948 -1.0948 3.2743 3.2743 3.2745 3.2745 3.9395 3.9395 3.9396 3.9396 5.7748 5.7748 5.7775 5.7775 k = 0.3393-0.0000 0.3219 ( 32160 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4819 -25.4819 -25.4819 -25.4819 -25.4784 -25.4784 -25.4784 -25.4784 -10.2305 -10.2305 -10.2305 -10.2305 -10.2047 -10.2047 -10.2045 -10.2045 -9.3883 -9.3883 -9.3874 -9.3874 -9.3575 -9.3575 -9.3566 -9.3566 -9.3495 -9.3495 -9.3494 -9.3494 -9.3213 -9.3213 -9.3209 -9.3209 -3.4417 -3.4417 -3.4417 -3.4417 -3.1676 -3.1676 -3.1675 -3.1675 -1.4040 -1.4040 -1.4032 -1.4032 -1.3574 -1.3574 -1.3562 -1.3562 -1.2417 -1.2417 -1.2402 -1.2402 -1.1054 -1.1054 -1.1049 -1.1049 3.3035 3.3035 3.3037 3.3037 3.9037 3.9037 3.9038 3.9038 5.8176 5.8176 5.8206 5.8206 k = 0.3571-0.0000 0.3219 ( 32146 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4817 -25.4817 -25.4817 -25.4817 -25.4786 -25.4786 -25.4786 -25.4786 -10.2293 -10.2293 -10.2293 -10.2293 -10.2062 -10.2062 -10.2060 -10.2060 -9.3860 -9.3860 -9.3851 -9.3851 -9.3577 -9.3577 -9.3569 -9.3569 -9.3500 -9.3500 -9.3498 -9.3498 -9.3243 -9.3243 -9.3240 -9.3240 -3.4233 -3.4233 -3.4232 -3.4232 -3.1764 -3.1764 -3.1763 -3.1763 -1.4048 -1.4048 -1.4039 -1.4039 -1.3635 -1.3635 -1.3624 -1.3624 -1.2397 -1.2397 -1.2382 -1.2382 -1.1158 -1.1158 -1.1152 -1.1152 3.3335 3.3335 3.3336 3.3336 3.8681 3.8681 3.8682 3.8682 5.8519 5.8519 5.8551 5.8551 k = 0.3750-0.0000 0.3219 ( 32152 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4815 -25.4815 -25.4815 -25.4815 -25.4787 -25.4787 -25.4787 -25.4787 -10.2281 -10.2281 -10.2281 -10.2281 -10.2077 -10.2077 -10.2075 -10.2075 -9.3837 -9.3837 -9.3828 -9.3828 -9.3580 -9.3580 -9.3573 -9.3573 -9.3502 -9.3502 -9.3500 -9.3500 -9.3273 -9.3273 -9.3270 -9.3270 -3.4047 -3.4047 -3.4047 -3.4047 -3.1862 -3.1862 -3.1861 -3.1861 -1.4054 -1.4054 -1.4043 -1.4043 -1.3692 -1.3692 -1.3682 -1.3682 -1.2369 -1.2369 -1.2355 -1.2355 -1.1262 -1.1262 -1.1255 -1.1255 3.3641 3.3641 3.3642 3.3642 3.8327 3.8327 3.8328 3.8328 5.8776 5.8776 5.8808 5.8808 k = 0.3929-0.0000 0.3219 ( 32128 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4813 -25.4813 -25.4813 -25.4813 -25.4789 -25.4789 -25.4789 -25.4789 -10.2269 -10.2269 -10.2268 -10.2268 -10.2093 -10.2093 -10.2091 -10.2091 -9.3813 -9.3813 -9.3804 -9.3804 -9.3585 -9.3585 -9.3580 -9.3580 -9.3502 -9.3502 -9.3499 -9.3499 -9.3301 -9.3301 -9.3300 -9.3300 -3.3861 -3.3861 -3.3861 -3.3861 -3.1970 -3.1970 -3.1968 -3.1968 -1.4058 -1.4058 -1.4044 -1.4044 -1.3744 -1.3744 -1.3737 -1.3737 -1.2332 -1.2332 -1.2319 -1.2319 -1.1366 -1.1366 -1.1358 -1.1358 3.3952 3.3952 3.3953 3.3953 3.7976 3.7976 3.7977 3.7977 5.8959 5.8959 5.8990 5.8990 k = 0.4107-0.0000 0.3219 ( 32144 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4811 -25.4811 -25.4811 -25.4811 -25.4791 -25.4791 -25.4791 -25.4791 -10.2256 -10.2256 -10.2255 -10.2255 -10.2108 -10.2108 -10.2106 -10.2106 -9.3789 -9.3789 -9.3780 -9.3780 -9.3593 -9.3593 -9.3590 -9.3590 -9.3499 -9.3499 -9.3496 -9.3496 -9.3329 -9.3329 -9.3328 -9.3328 -3.3677 -3.3677 -3.3677 -3.3677 -3.2086 -3.2086 -3.2085 -3.2085 -1.4060 -1.4060 -1.4043 -1.4043 -1.3790 -1.3790 -1.3787 -1.3787 -1.2288 -1.2288 -1.2275 -1.2275 -1.1469 -1.1469 -1.1460 -1.1460 3.4268 3.4268 3.4269 3.4269 3.7628 3.7628 3.7629 3.7629 5.9093 5.9093 5.9122 5.9122 k = 0.4286-0.0000 0.3219 ( 32168 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4809 -25.4809 -25.4809 -25.4809 -25.4793 -25.4793 -25.4793 -25.4793 -10.2242 -10.2242 -10.2241 -10.2241 -10.2123 -10.2123 -10.2122 -10.2122 -9.3765 -9.3765 -9.3756 -9.3756 -9.3603 -9.3603 -9.3601 -9.3601 -9.3494 -9.3494 -9.3491 -9.3491 -9.3355 -9.3355 -9.3354 -9.3354 -3.3495 -3.3495 -3.3495 -3.3495 -3.2212 -3.2212 -3.2211 -3.2211 -1.4060 -1.4060 -1.4039 -1.4039 -1.3831 -1.3831 -1.3831 -1.3831 -1.2235 -1.2235 -1.2225 -1.2225 -1.1570 -1.1570 -1.1560 -1.1560 3.4589 3.4589 3.4589 3.4589 3.7283 3.7283 3.7284 3.7284 5.9197 5.9197 5.9224 5.9224 k = 0.4464-0.0000 0.3219 ( 32146 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4807 -25.4807 -25.4807 -25.4807 -25.4795 -25.4795 -25.4795 -25.4795 -10.2228 -10.2228 -10.2227 -10.2227 -10.2139 -10.2139 -10.2137 -10.2137 -9.3741 -9.3741 -9.3733 -9.3733 -9.3615 -9.3615 -9.3615 -9.3615 -9.3486 -9.3486 -9.3484 -9.3484 -9.3381 -9.3381 -9.3378 -9.3378 -3.3316 -3.3316 -3.3316 -3.3316 -3.2346 -3.2346 -3.2345 -3.2345 -1.4058 -1.4058 -1.4032 -1.4032 -1.3870 -1.3870 -1.3864 -1.3864 -1.2176 -1.2176 -1.2167 -1.2167 -1.1668 -1.1668 -1.1656 -1.1656 3.4912 3.4912 3.4912 3.4912 3.6941 3.6941 3.6942 3.6942 5.9285 5.9285 5.9312 5.9312 k = 0.4643-0.0000 0.3219 ( 32128 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4805 -25.4805 -25.4805 -25.4805 -25.4797 -25.4797 -25.4797 -25.4797 -10.2214 -10.2214 -10.2213 -10.2213 -10.2154 -10.2154 -10.2153 -10.2153 -9.3718 -9.3718 -9.3711 -9.3711 -9.3631 -9.3631 -9.3629 -9.3629 -9.3476 -9.3476 -9.3475 -9.3475 -9.3404 -9.3404 -9.3398 -9.3398 -3.3142 -3.3142 -3.3142 -3.3142 -3.2488 -3.2488 -3.2486 -3.2486 -1.4056 -1.4056 -1.4023 -1.4023 -1.3902 -1.3902 -1.3889 -1.3889 -1.2110 -1.2110 -1.2104 -1.2104 -1.1761 -1.1761 -1.1747 -1.1747 3.5236 3.5236 3.5236 3.5236 3.6603 3.6603 3.6605 3.6605 5.9367 5.9367 5.9395 5.9395 k = 0.4821-0.0000 0.3219 ( 32122 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4803 -25.4803 -25.4803 -25.4803 -25.4799 -25.4799 -25.4799 -25.4799 -10.2200 -10.2200 -10.2198 -10.2198 -10.2169 -10.2169 -10.2168 -10.2168 -9.3697 -9.3697 -9.3691 -9.3691 -9.3647 -9.3647 -9.3644 -9.3644 -9.3467 -9.3467 -9.3464 -9.3464 -9.3424 -9.3424 -9.3414 -9.3414 -3.2976 -3.2976 -3.2975 -3.2975 -3.2635 -3.2635 -3.2633 -3.2633 -1.4053 -1.4053 -1.4014 -1.4014 -1.3925 -1.3925 -1.3905 -1.3905 -1.2042 -1.2042 -1.2041 -1.2041 -1.1847 -1.1847 -1.1826 -1.1826 3.5554 3.5554 3.5556 3.5556 3.6276 3.6276 3.6279 3.6279 5.9439 5.9439 5.9473 5.9473 k = 0.5000-0.0000 0.3219 ( 32124 PWs) bands (ev): -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -97.7214 -25.4801 -25.4801 -25.4801 -25.4801 -25.4801 -25.4801 -25.4801 -25.4801 -10.2187 -10.2187 -10.2184 -10.2184 -10.2183 -10.2183 -10.2182 -10.2182 -9.3685 -9.3685 -9.3679 -9.3679 -9.3657 -9.3657 -9.3653 -9.3653 -9.3462 -9.3462 -9.3455 -9.3455 -9.3435 -9.3435 -9.3421 -9.3421 -3.2858 -3.2858 -3.2854 -3.2854 -3.2749 -3.2749 -3.2744 -3.2744 -1.4052 -1.4052 -1.4009 -1.4009 -1.3934 -1.3934 -1.3911 -1.3911 -1.2005 -1.2005 -1.1996 -1.1996 -1.1898 -1.1898 -1.1868 -1.1868 3.5779 3.5779 3.5785 3.5785 3.6045 3.6045 3.6053 3.6053 5.9476 5.9476 5.9518 5.9518 Writing output data file RbBeH3.save init_run : 1.70s CPU 2.02s WALL ( 1 calls) electrons : 598.05s CPU 602.72s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.21s CPU 0.28s WALL ( 1 calls) Called by electrons: c_bands : 598.04s CPU 602.71s WALL ( 1 calls) v_of_rho : 0.05s CPU 0.06s WALL ( 1 calls) v_h : 0.00s CPU 0.01s WALL ( 1 calls) v_xc : 0.05s CPU 0.05s WALL ( 1 calls) newd : 0.28s CPU 0.45s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.18s CPU 0.26s WALL ( 207 calls) cegterg : 535.17s CPU 538.32s WALL ( 389 calls) Called by sum_band: Called by *egterg: h_psi : 378.02s CPU 381.54s WALL ( 6000 calls) s_psi : 17.12s CPU 16.95s WALL ( 6000 calls) g_psi : 0.88s CPU 0.91s WALL ( 5404 calls) cdiaghg : 109.20s CPU 109.49s WALL ( 5611 calls) cegterg:over : 31.28s CPU 31.25s WALL ( 5404 calls) cegterg:upda : 28.58s CPU 28.52s WALL ( 5404 calls) cegterg:last : 13.91s CPU 13.86s WALL ( 803 calls) cdiaghg:chol : 4.88s CPU 4.92s WALL ( 5611 calls) cdiaghg:inve : 3.40s CPU 3.52s WALL ( 5611 calls) cdiaghg:para : 6.69s CPU 6.74s WALL ( 11222 calls) Called by h_psi: h_psi:vloc : 338.86s CPU 342.17s WALL ( 6000 calls) h_psi:vnl : 37.94s CPU 38.10s WALL ( 6000 calls) add_vuspsi : 17.82s CPU 18.04s WALL ( 6000 calls) General routines calbec : 20.07s CPU 20.04s WALL ( 6000 calls) fft : 0.08s CPU 0.09s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 312.11s CPU 314.66s WALL ( 839292 calls) interpolate : 0.02s CPU 0.02s WALL ( 4 calls) davcio : 0.19s CPU 0.73s WALL ( 414 calls) Parallel routines fft_scatter : 145.27s CPU 146.38s WALL ( 839315 calls) PWSCF : 11m15.89s CPU 11m43.63s WALL This run was terminated on: 0:16:43 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=