Program PWSCF v.5.4.0 starts on 4Aug2017 at 0:26:52 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 & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./H3C2N.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 87 49 13 4967 2081 316 Max 88 50 14 4970 2114 324 Sum 3153 1767 501 178861 75523 11529 bravais-lattice index = 14 lattice parameter (alat) = 15.5789 a.u. unit-cell volume = 1790.6289 (a.u.)^3 number of atoms/cell = 24 number of atomic types = 3 number of electrons = 64.00 number of Kohn-Sham states= 76 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 15.578901 celldm(2)= 0.497574 celldm(3)= 0.966764 celldm(4)= 0.175367 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 0.497574 0.000000 ) a(3) = ( 0.000000 0.169538 0.951782 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 2.009751 -0.357991 ) b(3) = ( 0.000000 0.000000 1.050661 ) 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 C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential H 1.00 1.00790 H( 1.00) C 4.00 12.01070 C( 1.00) N 5.00 14.00670 N( 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 ) ( 0.0847691 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4758910 ) 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 ) ( 0.0847691 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.4758910 ) 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= 229 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043668 k( 2) = ( 0.0000000 0.0000000 0.0250157), wk = 0.0043668 k( 3) = ( 0.0000000 0.0000000 0.0500315), wk = 0.0043668 k( 4) = ( 0.0000000 0.0000000 0.0750472), wk = 0.0043668 k( 5) = ( 0.0000000 0.0000000 0.1000629), wk = 0.0043668 k( 6) = ( 0.0000000 0.0000000 0.1250787), wk = 0.0043668 k( 7) = ( 0.0000000 0.0000000 0.1500944), wk = 0.0043668 k( 8) = ( 0.0000000 0.0000000 0.1751101), wk = 0.0043668 k( 9) = ( 0.0000000 0.0000000 0.2001259), wk = 0.0043668 k( 10) = ( 0.0000000 0.0000000 0.2251416), wk = 0.0043668 k( 11) = ( 0.0000000 0.0000000 0.2501573), wk = 0.0043668 k( 12) = ( 0.0000000 0.0000000 0.2751731), wk = 0.0043668 k( 13) = ( 0.0000000 0.0000000 0.3001888), wk = 0.0043668 k( 14) = ( 0.0000000 0.0000000 0.3252045), wk = 0.0043668 k( 15) = ( 0.0000000 0.0000000 0.3502203), wk = 0.0043668 k( 16) = ( 0.0000000 0.0000000 0.3752360), wk = 0.0043668 k( 17) = ( 0.0000000 0.0000000 0.4002517), wk = 0.0043668 k( 18) = ( 0.0000000 0.0000000 0.4252675), wk = 0.0043668 k( 19) = ( 0.0000000 0.0000000 0.4502832), wk = 0.0043668 k( 20) = ( 0.0000000 0.0000000 0.4752989), wk = 0.0043668 k( 21) = ( 0.0000000 0.0000000 0.5003147), wk = 0.0043668 k( 22) = ( 0.0000000 0.0000000 0.5253304), wk = 0.0043668 k( 23) = ( 0.0000000 0.0000000 0.5253304), wk = 0.0043668 k( 24) = ( 0.0000000 0.0261996 0.5253304), wk = 0.0043668 k( 25) = ( 0.0000000 0.0523991 0.5253304), wk = 0.0043668 k( 26) = ( 0.0000000 0.0785987 0.5253304), wk = 0.0043668 k( 27) = ( 0.0000000 0.1047982 0.5253304), wk = 0.0043668 k( 28) = ( 0.0000000 0.1309978 0.5253304), wk = 0.0043668 k( 29) = ( 0.0000000 0.1571973 0.5253304), wk = 0.0043668 k( 30) = ( 0.0000000 0.1833969 0.5253304), wk = 0.0043668 k( 31) = ( 0.0000000 0.2095965 0.5253304), wk = 0.0043668 k( 32) = ( 0.0000000 0.2357960 0.5253304), wk = 0.0043668 k( 33) = ( 0.0000000 0.2619956 0.5253304), wk = 0.0043668 k( 34) = ( 0.0000000 0.2881951 0.5253304), wk = 0.0043668 k( 35) = ( 0.0000000 0.3143947 0.5253304), wk = 0.0043668 k( 36) = ( 0.0000000 0.3405942 0.5253304), wk = 0.0043668 k( 37) = ( 0.0000000 0.3667938 0.5253304), wk = 0.0043668 k( 38) = ( 0.0000000 0.3929933 0.5253304), wk = 0.0043668 k( 39) = ( 0.0000000 0.4191929 0.5253304), wk = 0.0043668 k( 40) = ( 0.0000000 0.4453925 0.5253304), wk = 0.0043668 k( 41) = ( 0.0000000 0.4715920 0.5253304), wk = 0.0043668 k( 42) = ( 0.0000000 0.4977916 0.5253304), wk = 0.0043668 k( 43) = ( 0.0000000 0.5239911 0.5253304), wk = 0.0043668 k( 44) = ( 0.0000000 0.5501907 0.5253304), wk = 0.0043668 k( 45) = ( 0.0000000 0.5763903 0.5253304), wk = 0.0043668 k( 46) = ( 0.0000000 0.6025898 0.5253304), wk = 0.0043668 k( 47) = ( 0.0000000 0.6287894 0.5253304), wk = 0.0043668 k( 48) = ( 0.0000000 0.6549889 0.5253304), wk = 0.0043668 k( 49) = ( 0.0000000 0.6811885 0.5253304), wk = 0.0043668 k( 50) = ( 0.0000000 0.7073880 0.5253304), wk = 0.0043668 k( 51) = ( 0.0000000 0.7335876 0.5253304), wk = 0.0043668 k( 52) = ( 0.0000000 0.7597872 0.5253304), wk = 0.0043668 k( 53) = ( 0.0000000 0.7859867 0.5253304), wk = 0.0043668 k( 54) = ( 0.0000000 0.8121863 0.5253304), wk = 0.0043668 k( 55) = ( 0.0000000 0.8383858 0.5253304), wk = 0.0043668 k( 56) = ( 0.0000000 0.8645854 0.5253304), wk = 0.0043668 k( 57) = ( 0.0000000 0.8907849 0.5253304), wk = 0.0043668 k( 58) = ( 0.0000000 0.9169845 0.5253304), wk = 0.0043668 k( 59) = ( 0.0000000 0.9431840 0.5253304), wk = 0.0043668 k( 60) = ( 0.0000000 0.9431840 0.5253304), wk = 0.0043668 k( 61) = ( 0.0000000 0.9508955 0.5029560), wk = 0.0043668 k( 62) = ( 0.0000000 0.9586070 0.4805815), wk = 0.0043668 k( 63) = ( 0.0000000 0.9663184 0.4582071), wk = 0.0043668 k( 64) = ( 0.0000000 0.9740299 0.4358326), wk = 0.0043668 k( 65) = ( 0.0000000 0.9817413 0.4134581), wk = 0.0043668 k( 66) = ( 0.0000000 0.9894528 0.3910837), wk = 0.0043668 k( 67) = ( 0.0000000 0.9971642 0.3687092), wk = 0.0043668 k( 68) = ( 0.0000000 1.0048757 0.3463348), wk = 0.0043668 k( 69) = ( 0.0000000 1.0048757 0.3463348), wk = 0.0043668 k( 70) = ( 0.0250000 1.0048757 0.3463348), wk = 0.0043668 k( 71) = ( 0.0500000 1.0048757 0.3463348), wk = 0.0043668 k( 72) = ( 0.0750000 1.0048757 0.3463348), wk = 0.0043668 k( 73) = ( 0.1000000 1.0048757 0.3463348), wk = 0.0043668 k( 74) = ( 0.1250000 1.0048757 0.3463348), wk = 0.0043668 k( 75) = ( 0.1500000 1.0048757 0.3463348), wk = 0.0043668 k( 76) = ( 0.1750000 1.0048757 0.3463348), wk = 0.0043668 k( 77) = ( 0.2000000 1.0048757 0.3463348), wk = 0.0043668 k( 78) = ( 0.2250000 1.0048757 0.3463348), wk = 0.0043668 k( 79) = ( 0.2500000 1.0048757 0.3463348), wk = 0.0043668 k( 80) = ( 0.2750000 1.0048757 0.3463348), wk = 0.0043668 k( 81) = ( 0.3000000 1.0048757 0.3463348), wk = 0.0043668 k( 82) = ( 0.3250000 1.0048757 0.3463348), wk = 0.0043668 k( 83) = ( 0.3500000 1.0048757 0.3463348), wk = 0.0043668 k( 84) = ( 0.3750000 1.0048757 0.3463348), wk = 0.0043668 k( 85) = ( 0.4000000 1.0048757 0.3463348), wk = 0.0043668 k( 86) = ( 0.4250000 1.0048757 0.3463348), wk = 0.0043668 k( 87) = ( 0.4500000 1.0048757 0.3463348), wk = 0.0043668 k( 88) = ( 0.4750000 1.0048757 0.3463348), wk = 0.0043668 k( 89) = ( 0.5000000 1.0048757 0.3463348), wk = 0.0043668 k( 90) = ( 0.5000000 1.0048757 0.3463348), wk = 0.0043668 k( 91) = ( 0.5000000 1.0125871 0.3239603), wk = 0.0043668 k( 92) = ( 0.5000000 1.0202986 0.3015859), wk = 0.0043668 k( 93) = ( 0.5000000 1.0280100 0.2792114), wk = 0.0043668 k( 94) = ( 0.5000000 1.0357215 0.2568370), wk = 0.0043668 k( 95) = ( 0.5000000 1.0434329 0.2344625), wk = 0.0043668 k( 96) = ( 0.5000000 1.0511444 0.2120881), wk = 0.0043668 k( 97) = ( 0.5000000 1.0588558 0.1897136), wk = 0.0043668 k( 98) = ( 0.5000000 1.0665673 0.1673392), wk = 0.0043668 k( 99) = ( 0.5000000 1.0665673 0.1673392), wk = 0.0043668 k( 100) = ( 0.5000000 1.0621608 0.1426010), wk = 0.0043668 k( 101) = ( 0.5000000 1.0577542 0.1178628), wk = 0.0043668 k( 102) = ( 0.5000000 1.0533477 0.0931246), wk = 0.0043668 k( 103) = ( 0.5000000 1.0489411 0.0683864), wk = 0.0043668 k( 104) = ( 0.5000000 1.0445346 0.0436482), wk = 0.0043668 k( 105) = ( 0.5000000 1.0401280 0.0189100), wk = 0.0043668 k( 106) = ( 0.5000000 1.0357215 -0.0058282), wk = 0.0043668 k( 107) = ( 0.5000000 1.0313149 -0.0305664), wk = 0.0043668 k( 108) = ( 0.5000000 1.0269084 -0.0553046), wk = 0.0043668 k( 109) = ( 0.5000000 1.0225019 -0.0800428), wk = 0.0043668 k( 110) = ( 0.5000000 1.0180953 -0.1047810), wk = 0.0043668 k( 111) = ( 0.5000000 1.0136888 -0.1295192), wk = 0.0043668 k( 112) = ( 0.5000000 1.0092822 -0.1542574), wk = 0.0043668 k( 113) = ( 0.5000000 1.0048757 -0.1789956), wk = 0.0043668 k( 114) = ( 0.5000000 1.0048757 -0.1789956), wk = 0.0043668 k( 115) = ( 0.4750000 1.0048757 -0.1789956), wk = 0.0043668 k( 116) = ( 0.4500000 1.0048757 -0.1789956), wk = 0.0043668 k( 117) = ( 0.4250000 1.0048757 -0.1789956), wk = 0.0043668 k( 118) = ( 0.4000000 1.0048757 -0.1789956), wk = 0.0043668 k( 119) = ( 0.3750000 1.0048757 -0.1789956), wk = 0.0043668 k( 120) = ( 0.3500000 1.0048757 -0.1789956), wk = 0.0043668 k( 121) = ( 0.3250000 1.0048757 -0.1789956), wk = 0.0043668 k( 122) = ( 0.3000000 1.0048757 -0.1789956), wk = 0.0043668 k( 123) = ( 0.2750000 1.0048757 -0.1789956), wk = 0.0043668 k( 124) = ( 0.2500000 1.0048757 -0.1789956), wk = 0.0043668 k( 125) = ( 0.2250000 1.0048757 -0.1789956), wk = 0.0043668 k( 126) = ( 0.2000000 1.0048757 -0.1789956), wk = 0.0043668 k( 127) = ( 0.1750000 1.0048757 -0.1789956), wk = 0.0043668 k( 128) = ( 0.1500000 1.0048757 -0.1789956), wk = 0.0043668 k( 129) = ( 0.1250000 1.0048757 -0.1789956), wk = 0.0043668 k( 130) = ( 0.1000000 1.0048757 -0.1789956), wk = 0.0043668 k( 131) = ( 0.0750000 1.0048757 -0.1789956), wk = 0.0043668 k( 132) = ( 0.0500000 1.0048757 -0.1789956), wk = 0.0043668 k( 133) = ( 0.0250000 1.0048757 -0.1789956), wk = 0.0043668 k( 134) = ( 0.0000000 1.0048757 -0.1789956), wk = 0.0043668 k( 135) = ( 0.0000000 1.0048757 -0.1789956), wk = 0.0043668 k( 136) = ( 0.0000000 1.0092822 -0.1542574), wk = 0.0043668 k( 137) = ( 0.0000000 1.0136888 -0.1295192), wk = 0.0043668 k( 138) = ( 0.0000000 1.0180953 -0.1047810), wk = 0.0043668 k( 139) = ( 0.0000000 1.0225019 -0.0800428), wk = 0.0043668 k( 140) = ( 0.0000000 1.0269084 -0.0553046), wk = 0.0043668 k( 141) = ( 0.0000000 1.0313149 -0.0305664), wk = 0.0043668 k( 142) = ( 0.0000000 1.0357215 -0.0058282), wk = 0.0043668 k( 143) = ( 0.0000000 1.0401280 0.0189100), wk = 0.0043668 k( 144) = ( 0.0000000 1.0445346 0.0436482), wk = 0.0043668 k( 145) = ( 0.0000000 1.0489411 0.0683864), wk = 0.0043668 k( 146) = ( 0.0000000 1.0533477 0.0931246), wk = 0.0043668 k( 147) = ( 0.0000000 1.0577542 0.1178628), wk = 0.0043668 k( 148) = ( 0.0000000 1.0621608 0.1426010), wk = 0.0043668 k( 149) = ( 0.0000000 1.0665673 0.1673392), wk = 0.0043668 k( 150) = ( 0.5000000 0.9431840 0.5253304), wk = 0.0043668 k( 151) = ( 0.5000000 0.9169845 0.5253304), wk = 0.0043668 k( 152) = ( 0.5000000 0.8907849 0.5253304), wk = 0.0043668 k( 153) = ( 0.5000000 0.8645854 0.5253304), wk = 0.0043668 k( 154) = ( 0.5000000 0.8383858 0.5253304), wk = 0.0043668 k( 155) = ( 0.5000000 0.8121863 0.5253304), wk = 0.0043668 k( 156) = ( 0.5000000 0.7859867 0.5253304), wk = 0.0043668 k( 157) = ( 0.5000000 0.7597872 0.5253304), wk = 0.0043668 k( 158) = ( 0.5000000 0.7335876 0.5253304), wk = 0.0043668 k( 159) = ( 0.5000000 0.7073880 0.5253304), wk = 0.0043668 k( 160) = ( 0.5000000 0.6811885 0.5253304), wk = 0.0043668 k( 161) = ( 0.5000000 0.6549889 0.5253304), wk = 0.0043668 k( 162) = ( 0.5000000 0.6287894 0.5253304), wk = 0.0043668 k( 163) = ( 0.5000000 0.6025898 0.5253304), wk = 0.0043668 k( 164) = ( 0.5000000 0.5763903 0.5253304), wk = 0.0043668 k( 165) = ( 0.5000000 0.5501907 0.5253304), wk = 0.0043668 k( 166) = ( 0.5000000 0.5239911 0.5253304), wk = 0.0043668 k( 167) = ( 0.5000000 0.4977916 0.5253304), wk = 0.0043668 k( 168) = ( 0.5000000 0.4715920 0.5253304), wk = 0.0043668 k( 169) = ( 0.5000000 0.4453925 0.5253304), wk = 0.0043668 k( 170) = ( 0.5000000 0.4191929 0.5253304), wk = 0.0043668 k( 171) = ( 0.5000000 0.3929933 0.5253304), wk = 0.0043668 k( 172) = ( 0.5000000 0.3667938 0.5253304), wk = 0.0043668 k( 173) = ( 0.5000000 0.3405942 0.5253304), wk = 0.0043668 k( 174) = ( 0.5000000 0.3143947 0.5253304), wk = 0.0043668 k( 175) = ( 0.5000000 0.2881951 0.5253304), wk = 0.0043668 k( 176) = ( 0.5000000 0.2619956 0.5253304), wk = 0.0043668 k( 177) = ( 0.5000000 0.2357960 0.5253304), wk = 0.0043668 k( 178) = ( 0.5000000 0.2095965 0.5253304), wk = 0.0043668 k( 179) = ( 0.5000000 0.1833969 0.5253304), wk = 0.0043668 k( 180) = ( 0.5000000 0.1571973 0.5253304), wk = 0.0043668 k( 181) = ( 0.5000000 0.1309978 0.5253304), wk = 0.0043668 k( 182) = ( 0.5000000 0.1047982 0.5253304), wk = 0.0043668 k( 183) = ( 0.5000000 0.0785987 0.5253304), wk = 0.0043668 k( 184) = ( 0.5000000 0.0523991 0.5253304), wk = 0.0043668 k( 185) = ( 0.5000000 0.0261996 0.5253304), wk = 0.0043668 k( 186) = ( 0.5000000 -0.0000000 0.5253304), wk = 0.0043668 k( 187) = ( 0.5000000 -0.0000000 0.5253304), wk = 0.0043668 k( 188) = ( 0.5000000 -0.0000000 0.5003147), wk = 0.0043668 k( 189) = ( 0.5000000 -0.0000000 0.4752989), wk = 0.0043668 k( 190) = ( 0.5000000 -0.0000000 0.4502832), wk = 0.0043668 k( 191) = ( 0.5000000 -0.0000000 0.4252675), wk = 0.0043668 k( 192) = ( 0.5000000 -0.0000000 0.4002517), wk = 0.0043668 k( 193) = ( 0.5000000 -0.0000000 0.3752360), wk = 0.0043668 k( 194) = ( 0.5000000 -0.0000000 0.3502203), wk = 0.0043668 k( 195) = ( 0.5000000 -0.0000000 0.3252045), wk = 0.0043668 k( 196) = ( 0.5000000 -0.0000000 0.3001888), wk = 0.0043668 k( 197) = ( 0.5000000 -0.0000000 0.2751731), wk = 0.0043668 k( 198) = ( 0.5000000 -0.0000000 0.2501573), wk = 0.0043668 k( 199) = ( 0.5000000 -0.0000000 0.2251416), wk = 0.0043668 k( 200) = ( 0.5000000 -0.0000000 0.2001259), wk = 0.0043668 k( 201) = ( 0.5000000 -0.0000000 0.1751101), wk = 0.0043668 k( 202) = ( 0.5000000 -0.0000000 0.1500944), wk = 0.0043668 k( 203) = ( 0.5000000 -0.0000000 0.1250787), wk = 0.0043668 k( 204) = ( 0.5000000 -0.0000000 0.1000629), wk = 0.0043668 k( 205) = ( 0.5000000 -0.0000000 0.0750472), wk = 0.0043668 k( 206) = ( 0.5000000 -0.0000000 0.0500315), wk = 0.0043668 k( 207) = ( 0.5000000 -0.0000000 0.0250157), wk = 0.0043668 k( 208) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0043668 k( 209) = ( 0.0000000 0.0000000 0.5253304), wk = 0.0043668 k( 210) = ( 0.0250000 -0.0000000 0.5253304), wk = 0.0043668 k( 211) = ( 0.0500000 -0.0000000 0.5253304), wk = 0.0043668 k( 212) = ( 0.0750000 -0.0000000 0.5253304), wk = 0.0043668 k( 213) = ( 0.1000000 -0.0000000 0.5253304), wk = 0.0043668 k( 214) = ( 0.1250000 -0.0000000 0.5253304), wk = 0.0043668 k( 215) = ( 0.1500000 -0.0000000 0.5253304), wk = 0.0043668 k( 216) = ( 0.1750000 -0.0000000 0.5253304), wk = 0.0043668 k( 217) = ( 0.2000000 -0.0000000 0.5253304), wk = 0.0043668 k( 218) = ( 0.2250000 -0.0000000 0.5253304), wk = 0.0043668 k( 219) = ( 0.2500000 -0.0000000 0.5253304), wk = 0.0043668 k( 220) = ( 0.2750000 -0.0000000 0.5253304), wk = 0.0043668 k( 221) = ( 0.3000000 -0.0000000 0.5253304), wk = 0.0043668 k( 222) = ( 0.3250000 -0.0000000 0.5253304), wk = 0.0043668 k( 223) = ( 0.3500000 -0.0000000 0.5253304), wk = 0.0043668 k( 224) = ( 0.3750000 -0.0000000 0.5253304), wk = 0.0043668 k( 225) = ( 0.4000000 -0.0000000 0.5253304), wk = 0.0043668 k( 226) = ( 0.4250000 -0.0000000 0.5253304), wk = 0.0043668 k( 227) = ( 0.4500000 -0.0000000 0.5253304), wk = 0.0043668 k( 228) = ( 0.4750000 -0.0000000 0.5253304), wk = 0.0043668 k( 229) = ( 0.5000000 -0.0000000 0.5253304), wk = 0.0043668 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043668 k( 2) = ( 0.0000000 0.0000000 0.0238095), wk = 0.0043668 k( 3) = ( 0.0000000 0.0000000 0.0476191), wk = 0.0043668 k( 4) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0043668 k( 5) = ( 0.0000000 0.0000000 0.0952381), wk = 0.0043668 k( 6) = ( 0.0000000 0.0000000 0.1190476), wk = 0.0043668 k( 7) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0043668 k( 8) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0043668 k( 9) = ( 0.0000000 0.0000000 0.1904762), wk = 0.0043668 k( 10) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0043668 k( 11) = ( 0.0000000 0.0000000 0.2380952), wk = 0.0043668 k( 12) = ( 0.0000000 0.0000000 0.2619048), wk = 0.0043668 k( 13) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0043668 k( 14) = ( 0.0000000 0.0000000 0.3095238), wk = 0.0043668 k( 15) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0043668 k( 16) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0043668 k( 17) = ( 0.0000000 0.0000000 0.3809524), wk = 0.0043668 k( 18) = ( 0.0000000 0.0000000 0.4047619), wk = 0.0043668 k( 19) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0043668 k( 20) = ( 0.0000000 0.0000000 0.4523809), wk = 0.0043668 k( 21) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0043668 k( 22) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0043668 k( 23) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0043668 k( 24) = ( 0.0000000 0.0130362 0.5044418), wk = 0.0043668 k( 25) = ( 0.0000000 0.0260724 0.5088836), wk = 0.0043668 k( 26) = ( 0.0000000 0.0391086 0.5133255), wk = 0.0043668 k( 27) = ( 0.0000000 0.0521449 0.5177673), wk = 0.0043668 k( 28) = ( 0.0000000 0.0651811 0.5222091), wk = 0.0043668 k( 29) = ( 0.0000000 0.0782173 0.5266509), wk = 0.0043668 k( 30) = ( 0.0000000 0.0912535 0.5310928), wk = 0.0043668 k( 31) = ( 0.0000000 0.1042897 0.5355346), wk = 0.0043668 k( 32) = ( 0.0000000 0.1173260 0.5399764), wk = 0.0043668 k( 33) = ( 0.0000000 0.1303622 0.5444182), wk = 0.0043668 k( 34) = ( 0.0000000 0.1433984 0.5488601), wk = 0.0043668 k( 35) = ( 0.0000000 0.1564346 0.5533019), wk = 0.0043668 k( 36) = ( 0.0000000 0.1694708 0.5577437), wk = 0.0043668 k( 37) = ( 0.0000000 0.1825070 0.5621855), wk = 0.0043668 k( 38) = ( 0.0000000 0.1955433 0.5666274), wk = 0.0043668 k( 39) = ( 0.0000000 0.2085795 0.5710692), wk = 0.0043668 k( 40) = ( 0.0000000 0.2216157 0.5755110), wk = 0.0043668 k( 41) = ( 0.0000000 0.2346519 0.5799529), wk = 0.0043668 k( 42) = ( 0.0000000 0.2476881 0.5843947), wk = 0.0043668 k( 43) = ( 0.0000000 0.2607244 0.5888365), wk = 0.0043668 k( 44) = ( 0.0000000 0.2737606 0.5932783), wk = 0.0043668 k( 45) = ( 0.0000000 0.2867968 0.5977202), wk = 0.0043668 k( 46) = ( 0.0000000 0.2998330 0.6021620), wk = 0.0043668 k( 47) = ( 0.0000000 0.3128692 0.6066038), wk = 0.0043668 k( 48) = ( 0.0000000 0.3259054 0.6110456), wk = 0.0043668 k( 49) = ( 0.0000000 0.3389417 0.6154875), wk = 0.0043668 k( 50) = ( 0.0000000 0.3519779 0.6199293), wk = 0.0043668 k( 51) = ( 0.0000000 0.3650141 0.6243711), wk = 0.0043668 k( 52) = ( 0.0000000 0.3780503 0.6288129), wk = 0.0043668 k( 53) = ( 0.0000000 0.3910865 0.6332548), wk = 0.0043668 k( 54) = ( 0.0000000 0.4041228 0.6376966), wk = 0.0043668 k( 55) = ( 0.0000000 0.4171590 0.6421384), wk = 0.0043668 k( 56) = ( 0.0000000 0.4301952 0.6465802), wk = 0.0043668 k( 57) = ( 0.0000000 0.4432314 0.6510221), wk = 0.0043668 k( 58) = ( 0.0000000 0.4562676 0.6554639), wk = 0.0043668 k( 59) = ( 0.0000000 0.4693038 0.6599057), wk = 0.0043668 k( 60) = ( 0.0000000 0.4693038 0.6599057), wk = 0.0043668 k( 61) = ( 0.0000000 0.4731409 0.6399175), wk = 0.0043668 k( 62) = ( 0.0000000 0.4769779 0.6199293), wk = 0.0043668 k( 63) = ( 0.0000000 0.4808149 0.5999411), wk = 0.0043668 k( 64) = ( 0.0000000 0.4846519 0.5799529), wk = 0.0043668 k( 65) = ( 0.0000000 0.4884889 0.5599646), wk = 0.0043668 k( 66) = ( 0.0000000 0.4923260 0.5399764), wk = 0.0043668 k( 67) = ( 0.0000000 0.4961630 0.5199882), wk = 0.0043668 k( 68) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0043668 k( 69) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0043668 k( 70) = ( 0.0250000 0.5000000 0.5000000), wk = 0.0043668 k( 71) = ( 0.0500000 0.5000000 0.5000000), wk = 0.0043668 k( 72) = ( 0.0750000 0.5000000 0.5000000), wk = 0.0043668 k( 73) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0043668 k( 74) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0043668 k( 75) = ( 0.1500000 0.5000000 0.5000000), wk = 0.0043668 k( 76) = ( 0.1750000 0.5000000 0.5000000), wk = 0.0043668 k( 77) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0043668 k( 78) = ( 0.2250000 0.5000000 0.5000000), wk = 0.0043668 k( 79) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0043668 k( 80) = ( 0.2750000 0.5000000 0.5000000), wk = 0.0043668 k( 81) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0043668 k( 82) = ( 0.3250000 0.5000000 0.5000000), wk = 0.0043668 k( 83) = ( 0.3500000 0.5000000 0.5000000), wk = 0.0043668 k( 84) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0043668 k( 85) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0043668 k( 86) = ( 0.4250000 0.5000000 0.5000000), wk = 0.0043668 k( 87) = ( 0.4500000 0.5000000 0.5000000), wk = 0.0043668 k( 88) = ( 0.4750000 0.5000000 0.5000000), wk = 0.0043668 k( 89) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0043668 k( 90) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0043668 k( 91) = ( 0.5000000 0.5038370 0.4800118), wk = 0.0043668 k( 92) = ( 0.5000000 0.5076740 0.4600236), wk = 0.0043668 k( 93) = ( 0.5000000 0.5115111 0.4400354), wk = 0.0043668 k( 94) = ( 0.5000000 0.5153481 0.4200471), wk = 0.0043668 k( 95) = ( 0.5000000 0.5191851 0.4000589), wk = 0.0043668 k( 96) = ( 0.5000000 0.5230221 0.3800707), wk = 0.0043668 k( 97) = ( 0.5000000 0.5268591 0.3600825), wk = 0.0043668 k( 98) = ( 0.5000000 0.5306962 0.3400943), wk = 0.0043668 k( 99) = ( 0.5000000 0.5306962 0.3400943), wk = 0.0043668 k( 100) = ( 0.5000000 0.5285036 0.3158018), wk = 0.0043668 k( 101) = ( 0.5000000 0.5263110 0.2915094), wk = 0.0043668 k( 102) = ( 0.5000000 0.5241184 0.2672169), wk = 0.0043668 k( 103) = ( 0.5000000 0.5219258 0.2429245), wk = 0.0043668 k( 104) = ( 0.5000000 0.5197332 0.2186320), wk = 0.0043668 k( 105) = ( 0.5000000 0.5175407 0.1943396), wk = 0.0043668 k( 106) = ( 0.5000000 0.5153481 0.1700471), wk = 0.0043668 k( 107) = ( 0.5000000 0.5131555 0.1457547), wk = 0.0043668 k( 108) = ( 0.5000000 0.5109629 0.1214622), wk = 0.0043668 k( 109) = ( 0.5000000 0.5087703 0.0971698), wk = 0.0043668 k( 110) = ( 0.5000000 0.5065778 0.0728773), wk = 0.0043668 k( 111) = ( 0.5000000 0.5043852 0.0485849), wk = 0.0043668 k( 112) = ( 0.5000000 0.5021926 0.0242924), wk = 0.0043668 k( 113) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0043668 k( 114) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0043668 k( 115) = ( 0.4750000 0.5000000 0.0000000), wk = 0.0043668 k( 116) = ( 0.4500000 0.5000000 0.0000000), wk = 0.0043668 k( 117) = ( 0.4250000 0.5000000 -0.0000000), wk = 0.0043668 k( 118) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0043668 k( 119) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0043668 k( 120) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0043668 k( 121) = ( 0.3250000 0.5000000 -0.0000000), wk = 0.0043668 k( 122) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0043668 k( 123) = ( 0.2750000 0.5000000 -0.0000000), wk = 0.0043668 k( 124) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0043668 k( 125) = ( 0.2250000 0.5000000 -0.0000000), wk = 0.0043668 k( 126) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0043668 k( 127) = ( 0.1750000 0.5000000 -0.0000000), wk = 0.0043668 k( 128) = ( 0.1500000 0.5000000 0.0000000), wk = 0.0043668 k( 129) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0043668 k( 130) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0043668 k( 131) = ( 0.0750000 0.5000000 -0.0000000), wk = 0.0043668 k( 132) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0043668 k( 133) = ( 0.0250000 0.5000000 -0.0000000), wk = 0.0043668 k( 134) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0043668 k( 135) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0043668 k( 136) = ( 0.0000000 0.5021926 0.0242924), wk = 0.0043668 k( 137) = ( 0.0000000 0.5043852 0.0485849), wk = 0.0043668 k( 138) = ( 0.0000000 0.5065778 0.0728773), wk = 0.0043668 k( 139) = ( 0.0000000 0.5087703 0.0971698), wk = 0.0043668 k( 140) = ( 0.0000000 0.5109629 0.1214622), wk = 0.0043668 k( 141) = ( 0.0000000 0.5131555 0.1457547), wk = 0.0043668 k( 142) = ( 0.0000000 0.5153481 0.1700471), wk = 0.0043668 k( 143) = ( 0.0000000 0.5175407 0.1943396), wk = 0.0043668 k( 144) = ( 0.0000000 0.5197332 0.2186320), wk = 0.0043668 k( 145) = ( 0.0000000 0.5219258 0.2429245), wk = 0.0043668 k( 146) = ( 0.0000000 0.5241184 0.2672169), wk = 0.0043668 k( 147) = ( 0.0000000 0.5263110 0.2915094), wk = 0.0043668 k( 148) = ( 0.0000000 0.5285036 0.3158018), wk = 0.0043668 k( 149) = ( 0.0000000 0.5306962 0.3400943), wk = 0.0043668 k( 150) = ( 0.5000000 0.4693038 0.6599057), wk = 0.0043668 k( 151) = ( 0.5000000 0.4562676 0.6554639), wk = 0.0043668 k( 152) = ( 0.5000000 0.4432314 0.6510221), wk = 0.0043668 k( 153) = ( 0.5000000 0.4301952 0.6465802), wk = 0.0043668 k( 154) = ( 0.5000000 0.4171590 0.6421384), wk = 0.0043668 k( 155) = ( 0.5000000 0.4041228 0.6376966), wk = 0.0043668 k( 156) = ( 0.5000000 0.3910865 0.6332548), wk = 0.0043668 k( 157) = ( 0.5000000 0.3780503 0.6288129), wk = 0.0043668 k( 158) = ( 0.5000000 0.3650141 0.6243711), wk = 0.0043668 k( 159) = ( 0.5000000 0.3519779 0.6199293), wk = 0.0043668 k( 160) = ( 0.5000000 0.3389417 0.6154875), wk = 0.0043668 k( 161) = ( 0.5000000 0.3259054 0.6110456), wk = 0.0043668 k( 162) = ( 0.5000000 0.3128692 0.6066038), wk = 0.0043668 k( 163) = ( 0.5000000 0.2998330 0.6021620), wk = 0.0043668 k( 164) = ( 0.5000000 0.2867968 0.5977202), wk = 0.0043668 k( 165) = ( 0.5000000 0.2737606 0.5932783), wk = 0.0043668 k( 166) = ( 0.5000000 0.2607244 0.5888365), wk = 0.0043668 k( 167) = ( 0.5000000 0.2476881 0.5843947), wk = 0.0043668 k( 168) = ( 0.5000000 0.2346519 0.5799529), wk = 0.0043668 k( 169) = ( 0.5000000 0.2216157 0.5755110), wk = 0.0043668 k( 170) = ( 0.5000000 0.2085795 0.5710692), wk = 0.0043668 k( 171) = ( 0.5000000 0.1955433 0.5666274), wk = 0.0043668 k( 172) = ( 0.5000000 0.1825070 0.5621856), wk = 0.0043668 k( 173) = ( 0.5000000 0.1694708 0.5577437), wk = 0.0043668 k( 174) = ( 0.5000000 0.1564346 0.5533019), wk = 0.0043668 k( 175) = ( 0.5000000 0.1433984 0.5488601), wk = 0.0043668 k( 176) = ( 0.5000000 0.1303622 0.5444182), wk = 0.0043668 k( 177) = ( 0.5000000 0.1173260 0.5399764), wk = 0.0043668 k( 178) = ( 0.5000000 0.1042897 0.5355346), wk = 0.0043668 k( 179) = ( 0.5000000 0.0912535 0.5310928), wk = 0.0043668 k( 180) = ( 0.5000000 0.0782173 0.5266509), wk = 0.0043668 k( 181) = ( 0.5000000 0.0651811 0.5222091), wk = 0.0043668 k( 182) = ( 0.5000000 0.0521449 0.5177673), wk = 0.0043668 k( 183) = ( 0.5000000 0.0391086 0.5133255), wk = 0.0043668 k( 184) = ( 0.5000000 0.0260724 0.5088837), wk = 0.0043668 k( 185) = ( 0.5000000 0.0130362 0.5044418), wk = 0.0043668 k( 186) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0043668 k( 187) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0043668 k( 188) = ( 0.5000000 0.0000000 0.4761905), wk = 0.0043668 k( 189) = ( 0.5000000 0.0000000 0.4523809), wk = 0.0043668 k( 190) = ( 0.5000000 0.0000000 0.4285714), wk = 0.0043668 k( 191) = ( 0.5000000 0.0000000 0.4047619), wk = 0.0043668 k( 192) = ( 0.5000000 0.0000000 0.3809524), wk = 0.0043668 k( 193) = ( 0.5000000 0.0000000 0.3571429), wk = 0.0043668 k( 194) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0043668 k( 195) = ( 0.5000000 0.0000000 0.3095238), wk = 0.0043668 k( 196) = ( 0.5000000 0.0000000 0.2857143), wk = 0.0043668 k( 197) = ( 0.5000000 0.0000000 0.2619048), wk = 0.0043668 k( 198) = ( 0.5000000 0.0000000 0.2380952), wk = 0.0043668 k( 199) = ( 0.5000000 0.0000000 0.2142857), wk = 0.0043668 k( 200) = ( 0.5000000 0.0000000 0.1904762), wk = 0.0043668 k( 201) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0043668 k( 202) = ( 0.5000000 0.0000000 0.1428571), wk = 0.0043668 k( 203) = ( 0.5000000 0.0000000 0.1190476), wk = 0.0043668 k( 204) = ( 0.5000000 0.0000000 0.0952381), wk = 0.0043668 k( 205) = ( 0.5000000 0.0000000 0.0714286), wk = 0.0043668 k( 206) = ( 0.5000000 0.0000000 0.0476191), wk = 0.0043668 k( 207) = ( 0.5000000 0.0000000 0.0238095), wk = 0.0043668 k( 208) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0043668 k( 209) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0043668 k( 210) = ( 0.0250000 0.0000000 0.5000000), wk = 0.0043668 k( 211) = ( 0.0500000 0.0000000 0.5000000), wk = 0.0043668 k( 212) = ( 0.0750000 0.0000000 0.5000000), wk = 0.0043668 k( 213) = ( 0.1000000 0.0000000 0.5000000), wk = 0.0043668 k( 214) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0043668 k( 215) = ( 0.1500000 0.0000000 0.5000000), wk = 0.0043668 k( 216) = ( 0.1750000 -0.0000000 0.5000000), wk = 0.0043668 k( 217) = ( 0.2000000 0.0000000 0.5000000), wk = 0.0043668 k( 218) = ( 0.2250000 0.0000000 0.5000000), wk = 0.0043668 k( 219) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0043668 k( 220) = ( 0.2750000 0.0000000 0.5000000), wk = 0.0043668 k( 221) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0043668 k( 222) = ( 0.3250000 0.0000000 0.5000000), wk = 0.0043668 k( 223) = ( 0.3500000 -0.0000000 0.5000000), wk = 0.0043668 k( 224) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0043668 k( 225) = ( 0.4000000 0.0000000 0.5000000), wk = 0.0043668 k( 226) = ( 0.4250000 0.0000000 0.5000000), wk = 0.0043668 k( 227) = ( 0.4500000 0.0000000 0.5000000), wk = 0.0043668 k( 228) = ( 0.4750000 0.0000000 0.5000000), wk = 0.0043668 k( 229) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0043668 Dense grid: 178861 G-vectors FFT dimensions: ( 90, 45, 90) Smooth grid: 75523 G-vectors FFT dimensions: ( 72, 36, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.63 Mb ( 544, 76) NL pseudopotentials 0.80 Mb ( 272, 192) Each V/rho on FFT grid 0.19 Mb ( 12150) Each G-vector array 0.04 Mb ( 4970) G-vector shells 0.04 Mb ( 4836) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.52 Mb ( 544, 304) Each subspace H/S matrix 0.09 Mb ( 76, 76) Each matrix 0.45 Mb ( 192, 2, 76) Check: negative/imaginary core charge= -0.000008 0.000000 The potential is recalculated from file : ./H3C2N.save/charge-density.dat Starting wfc are 120 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.8 secs Computing kpt #: 2 total cpu time spent up to now is 4.2 secs Computing kpt #: 3 total cpu time spent up to now is 5.4 secs Computing kpt #: 4 total cpu time spent up to now is 6.8 secs Computing kpt #: 5 total cpu time spent up to now is 8.0 secs Computing kpt #: 6 total cpu time spent up to now is 9.4 secs Computing kpt #: 7 total cpu time spent up to now is 10.6 secs Computing kpt #: 8 total cpu time spent up to now is 11.8 secs Computing kpt #: 9 total cpu time spent up to now is 13.1 secs Computing kpt #: 10 total cpu time spent up to now is 14.5 secs Computing kpt #: 11 total cpu time spent up to now is 15.8 secs Computing kpt #: 12 total cpu time spent up to now is 17.0 secs Computing kpt #: 13 total cpu time spent up to now is 18.3 secs Computing kpt #: 14 total cpu time spent up to now is 19.6 secs Computing kpt #: 15 total cpu time spent up to now is 20.9 secs Computing kpt #: 16 total cpu time spent up to now is 22.3 secs Computing kpt #: 17 total cpu time spent up to now is 23.7 secs Computing kpt #: 18 total cpu time spent up to now is 25.0 secs Computing kpt #: 19 total cpu time spent up to now is 26.2 secs Computing kpt #: 20 total cpu time spent up to now is 27.4 secs Computing kpt #: 21 total cpu time spent up to now is 28.7 secs Computing kpt #: 22 total cpu time spent up to now is 29.9 secs Computing kpt #: 23 total cpu time spent up to now is 31.1 secs Computing kpt #: 24 total cpu time spent up to now is 32.4 secs Computing kpt #: 25 total cpu time spent up to now is 33.6 secs Computing kpt #: 26 total cpu time spent up to now is 34.8 secs Computing kpt #: 27 total cpu time spent up to now is 36.0 secs Computing kpt #: 28 total cpu time spent up to now is 37.3 secs Computing kpt #: 29 total cpu time spent up to now is 38.5 secs Computing kpt #: 30 total cpu time spent up to now is 39.8 secs Computing kpt #: 31 total cpu time spent up to now is 41.0 secs Computing kpt #: 32 total cpu time spent up to now is 42.3 secs Computing kpt #: 33 total cpu time spent up to now is 43.6 secs Computing kpt #: 34 total cpu time spent up to now is 44.9 secs Computing kpt #: 35 total cpu time spent up to now is 46.3 secs Computing kpt #: 36 total cpu time spent up to now is 47.7 secs Computing kpt #: 37 total cpu time spent up to now is 49.2 secs Computing kpt #: 38 total cpu time spent up to now is 50.6 secs Computing kpt #: 39 total cpu time spent up to now is 52.0 secs Computing kpt #: 40 total cpu time spent up to now is 53.4 secs Computing kpt #: 41 total cpu time spent up to now is 54.8 secs Computing kpt #: 42 total cpu time spent up to now is 56.2 secs Computing kpt #: 43 total cpu time spent up to now is 57.6 secs Computing kpt #: 44 total cpu time spent up to now is 59.0 secs Computing kpt #: 45 total cpu time spent up to now is 60.4 secs Computing kpt #: 46 total cpu time spent up to now is 61.8 secs Computing kpt #: 47 total cpu time spent up to now is 63.2 secs Computing kpt #: 48 total cpu time spent up to now is 64.6 secs Computing kpt #: 49 total cpu time spent up to now is 66.0 secs Computing kpt #: 50 total cpu time spent up to now is 67.4 secs Computing kpt #: 51 total cpu time spent up to now is 68.7 secs Computing kpt #: 52 total cpu time spent up to now is 70.1 secs Computing kpt #: 53 total cpu time spent up to now is 71.5 secs Computing kpt #: 54 total cpu time spent up to now is 73.0 secs Computing kpt #: 55 total cpu time spent up to now is 74.3 secs Computing kpt #: 56 total cpu time spent up to now is 75.7 secs Computing kpt #: 57 total cpu time spent up to now is 77.1 secs Computing kpt #: 58 total cpu time spent up to now is 78.6 secs Computing kpt #: 59 total cpu time spent up to now is 80.0 secs Computing kpt #: 60 total cpu time spent up to now is 81.4 secs Computing kpt #: 61 total cpu time spent up to now is 82.8 secs Computing kpt #: 62 total cpu time spent up to now is 84.1 secs Computing kpt #: 63 total cpu time spent up to now is 85.5 secs Computing kpt #: 64 total cpu time spent up to now is 86.8 secs Computing kpt #: 65 total cpu time spent up to now is 88.1 secs Computing kpt #: 66 total cpu time spent up to now is 89.4 secs Computing kpt #: 67 total cpu time spent up to now is 90.6 secs Computing kpt #: 68 total cpu time spent up to now is 91.9 secs Computing kpt #: 69 total cpu time spent up to now is 93.1 secs Computing kpt #: 70 total cpu time spent up to now is 94.3 secs Computing kpt #: 71 total cpu time spent up to now is 95.6 secs Computing kpt #: 72 total cpu time spent up to now is 96.9 secs Computing kpt #: 73 total cpu time spent up to now is 98.2 secs Computing kpt #: 74 total cpu time spent up to now is 99.5 secs Computing kpt #: 75 total cpu time spent up to now is 100.8 secs Computing kpt #: 76 total cpu time spent up to now is 102.1 secs Computing kpt #: 77 total cpu time spent up to now is 103.3 secs Computing kpt #: 78 total cpu time spent up to now is 104.6 secs Computing kpt #: 79 total cpu time spent up to now is 105.9 secs Computing kpt #: 80 total cpu time spent up to now is 107.1 secs Computing kpt #: 81 total cpu time spent up to now is 108.4 secs Computing kpt #: 82 total cpu time spent up to now is 109.7 secs Computing kpt #: 83 total cpu time spent up to now is 110.9 secs Computing kpt #: 84 total cpu time spent up to now is 112.1 secs Computing kpt #: 85 total cpu time spent up to now is 113.4 secs Computing kpt #: 86 total cpu time spent up to now is 114.7 secs Computing kpt #: 87 total cpu time spent up to now is 115.9 secs Computing kpt #: 88 total cpu time spent up to now is 117.2 secs Computing kpt #: 89 total cpu time spent up to now is 118.4 secs Computing kpt #: 90 total cpu time spent up to now is 119.7 secs Computing kpt #: 91 total cpu time spent up to now is 121.0 secs Computing kpt #: 92 total cpu time spent up to now is 122.2 secs Computing kpt #: 93 total cpu time spent up to now is 123.5 secs Computing kpt #: 94 total cpu time spent up to now is 124.7 secs Computing kpt #: 95 total cpu time spent up to now is 126.0 secs Computing kpt #: 96 total cpu time spent up to now is 127.3 secs Computing kpt #: 97 total cpu time spent up to now is 128.6 secs Computing kpt #: 98 total cpu time spent up to now is 129.9 secs Computing kpt #: 99 total cpu time spent up to now is 131.3 secs Computing kpt #: 100 total cpu time spent up to now is 132.6 secs Computing kpt #: 101 total cpu time spent up to now is 134.0 secs Computing kpt #: 102 total cpu time spent up to now is 135.4 secs Computing kpt #: 103 total cpu time spent up to now is 136.6 secs Computing kpt #: 104 total cpu time spent up to now is 137.9 secs Computing kpt #: 105 total cpu time spent up to now is 139.1 secs Computing kpt #: 106 total cpu time spent up to now is 140.7 secs Computing kpt #: 107 total cpu time spent up to now is 141.9 secs Computing kpt #: 108 total cpu time spent up to now is 143.2 secs Computing kpt #: 109 total cpu time spent up to now is 144.4 secs Computing kpt #: 110 total cpu time spent up to now is 145.6 secs Computing kpt #: 111 total cpu time spent up to now is 146.8 secs Computing kpt #: 112 total cpu time spent up to now is 148.0 secs Computing kpt #: 113 total cpu time spent up to now is 149.2 secs Computing kpt #: 114 total cpu time spent up to now is 150.4 secs Computing kpt #: 115 total cpu time spent up to now is 151.6 secs Computing kpt #: 116 total cpu time spent up to now is 152.8 secs Computing kpt #: 117 total cpu time spent up to now is 154.0 secs Computing kpt #: 118 total cpu time spent up to now is 155.2 secs Computing kpt #: 119 total cpu time spent up to now is 156.5 secs Computing kpt #: 120 total cpu time spent up to now is 157.9 secs Computing kpt #: 121 total cpu time spent up to now is 159.3 secs Computing kpt #: 122 total cpu time spent up to now is 160.6 secs Computing kpt #: 123 total cpu time spent up to now is 161.8 secs Computing kpt #: 124 total cpu time spent up to now is 163.0 secs Computing kpt #: 125 total cpu time spent up to now is 164.4 secs Computing kpt #: 126 total cpu time spent up to now is 165.6 secs Computing kpt #: 127 total cpu time spent up to now is 167.0 secs Computing kpt #: 128 total cpu time spent up to now is 168.2 secs Computing kpt #: 129 total cpu time spent up to now is 169.6 secs Computing kpt #: 130 total cpu time spent up to now is 171.0 secs Computing kpt #: 131 total cpu time spent up to now is 172.3 secs Computing kpt #: 132 total cpu time spent up to now is 173.6 secs Computing kpt #: 133 total cpu time spent up to now is 175.0 secs Computing kpt #: 134 total cpu time spent up to now is 176.3 secs Computing kpt #: 135 total cpu time spent up to now is 177.7 secs Computing kpt #: 136 total cpu time spent up to now is 179.1 secs Computing kpt #: 137 total cpu time spent up to now is 180.3 secs Computing kpt #: 138 total cpu time spent up to now is 181.6 secs Computing kpt #: 139 total cpu time spent up to now is 183.0 secs Computing kpt #: 140 total cpu time spent up to now is 184.3 secs Computing kpt #: 141 total cpu time spent up to now is 185.7 secs Computing kpt #: 142 total cpu time spent up to now is 187.1 secs Computing kpt #: 143 total cpu time spent up to now is 188.5 secs Computing kpt #: 144 total cpu time spent up to now is 189.9 secs Computing kpt #: 145 total cpu time spent up to now is 191.4 secs Computing kpt #: 146 total cpu time spent up to now is 192.8 secs Computing kpt #: 147 total cpu time spent up to now is 194.2 secs Computing kpt #: 148 total cpu time spent up to now is 195.6 secs Computing kpt #: 149 total cpu time spent up to now is 197.0 secs Computing kpt #: 150 total cpu time spent up to now is 198.4 secs Computing kpt #: 151 total cpu time spent up to now is 199.8 secs Computing kpt #: 152 total cpu time spent up to now is 201.1 secs Computing kpt #: 153 total cpu time spent up to now is 202.3 secs Computing kpt #: 154 total cpu time spent up to now is 203.5 secs Computing kpt #: 155 total cpu time spent up to now is 204.8 secs Computing kpt #: 156 total cpu time spent up to now is 206.2 secs Computing kpt #: 157 total cpu time spent up to now is 207.6 secs Computing kpt #: 158 total cpu time spent up to now is 208.9 secs Computing kpt #: 159 total cpu time spent up to now is 210.3 secs Computing kpt #: 160 total cpu time spent up to now is 211.5 secs Computing kpt #: 161 total cpu time spent up to now is 212.8 secs Computing kpt #: 162 total cpu time spent up to now is 214.1 secs Computing kpt #: 163 total cpu time spent up to now is 216.0 secs Computing kpt #: 164 total cpu time spent up to now is 217.5 secs Computing kpt #: 165 total cpu time spent up to now is 218.7 secs Computing kpt #: 166 total cpu time spent up to now is 220.0 secs Computing kpt #: 167 total cpu time spent up to now is 221.3 secs Computing kpt #: 168 total cpu time spent up to now is 222.5 secs Computing kpt #: 169 total cpu time spent up to now is 223.8 secs Computing kpt #: 170 total cpu time spent up to now is 225.1 secs Computing kpt #: 171 total cpu time spent up to now is 226.4 secs Computing kpt #: 172 total cpu time spent up to now is 227.7 secs Computing kpt #: 173 total cpu time spent up to now is 228.9 secs Computing kpt #: 174 total cpu time spent up to now is 230.2 secs Computing kpt #: 175 total cpu time spent up to now is 231.5 secs Computing kpt #: 176 total cpu time spent up to now is 232.7 secs Computing kpt #: 177 total cpu time spent up to now is 234.0 secs Computing kpt #: 178 total cpu time spent up to now is 235.3 secs Computing kpt #: 179 total cpu time spent up to now is 236.6 secs Computing kpt #: 180 total cpu time spent up to now is 237.9 secs Computing kpt #: 181 total cpu time spent up to now is 239.1 secs Computing kpt #: 182 total cpu time spent up to now is 240.8 secs Computing kpt #: 183 total cpu time spent up to now is 242.1 secs Computing kpt #: 184 total cpu time spent up to now is 243.3 secs Computing kpt #: 185 total cpu time spent up to now is 244.6 secs Computing kpt #: 186 total cpu time spent up to now is 245.8 secs Computing kpt #: 187 total cpu time spent up to now is 247.0 secs Computing kpt #: 188 total cpu time spent up to now is 248.3 secs Computing kpt #: 189 total cpu time spent up to now is 249.5 secs Computing kpt #: 190 total cpu time spent up to now is 250.7 secs Computing kpt #: 191 total cpu time spent up to now is 252.0 secs Computing kpt #: 192 total cpu time spent up to now is 253.2 secs Computing kpt #: 193 total cpu time spent up to now is 254.5 secs Computing kpt #: 194 total cpu time spent up to now is 255.7 secs Computing kpt #: 195 total cpu time spent up to now is 257.0 secs Computing kpt #: 196 total cpu time spent up to now is 258.3 secs Computing kpt #: 197 total cpu time spent up to now is 259.5 secs Computing kpt #: 198 total cpu time spent up to now is 260.7 secs Computing kpt #: 199 total cpu time spent up to now is 262.0 secs Computing kpt #: 200 total cpu time spent up to now is 263.3 secs Computing kpt #: 201 total cpu time spent up to now is 264.5 secs Computing kpt #: 202 total cpu time spent up to now is 265.7 secs Computing kpt #: 203 total cpu time spent up to now is 267.0 secs Computing kpt #: 204 total cpu time spent up to now is 268.2 secs Computing kpt #: 205 total cpu time spent up to now is 269.4 secs Computing kpt #: 206 total cpu time spent up to now is 270.7 secs Computing kpt #: 207 total cpu time spent up to now is 271.9 secs Computing kpt #: 208 total cpu time spent up to now is 273.2 secs Computing kpt #: 209 total cpu time spent up to now is 274.4 secs Computing kpt #: 210 total cpu time spent up to now is 275.8 secs Computing kpt #: 211 total cpu time spent up to now is 277.1 secs Computing kpt #: 212 total cpu time spent up to now is 278.2 secs Computing kpt #: 213 total cpu time spent up to now is 279.4 secs Computing kpt #: 214 total cpu time spent up to now is 280.6 secs Computing kpt #: 215 total cpu time spent up to now is 281.9 secs Computing kpt #: 216 total cpu time spent up to now is 283.1 secs Computing kpt #: 217 total cpu time spent up to now is 284.3 secs Computing kpt #: 218 total cpu time spent up to now is 285.5 secs Computing kpt #: 219 total cpu time spent up to now is 286.7 secs Computing kpt #: 220 total cpu time spent up to now is 288.0 secs Computing kpt #: 221 total cpu time spent up to now is 289.2 secs Computing kpt #: 222 total cpu time spent up to now is 290.5 secs Computing kpt #: 223 total cpu time spent up to now is 291.7 secs Computing kpt #: 224 total cpu time spent up to now is 293.0 secs Computing kpt #: 225 total cpu time spent up to now is 294.3 secs Computing kpt #: 226 total cpu time spent up to now is 295.5 secs Computing kpt #: 227 total cpu time spent up to now is 296.8 secs Computing kpt #: 228 total cpu time spent up to now is 298.1 secs Computing kpt #: 229 total cpu time spent up to now is 299.3 secs ethr = 1.56E-08, avg # of iterations = 20.3 total cpu time spent up to now is 299.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 9441 PWs) bands (ev): -18.0244 -18.0244 -17.9570 -17.9570 -17.9393 -17.9393 -17.9184 -17.9184 -14.4266 -14.4266 -14.3982 -14.3982 -14.3792 -14.3792 -14.3345 -14.3345 -8.0364 -8.0364 -7.9805 -7.9805 -7.9207 -7.9207 -7.8443 -7.8443 -6.5558 -6.5558 -6.5374 -6.5374 -6.5206 -6.5206 -6.5132 -6.5132 -6.1857 -6.1857 -5.7476 -5.7476 -5.6853 -5.6853 -5.3447 -5.3447 -4.0337 -4.0337 -3.9026 -3.9026 -3.8260 -3.8260 -3.7613 -3.7613 -3.4130 -3.4130 -3.4014 -3.4014 -3.3677 -3.3677 -3.3359 -3.3359 -3.2410 -3.2410 -3.0471 -3.0471 -3.0074 -3.0074 -2.9845 -2.9845 4.2744 4.2744 4.4520 4.4520 4.4686 4.4686 4.5937 4.5937 4.6654 4.6654 4.9076 4.9076 k = 0.0000 0.0000 0.0250 ( 9446 PWs) bands (ev): -18.0244 -18.0244 -17.9571 -17.9571 -17.9392 -17.9392 -17.9184 -17.9184 -14.4266 -14.4266 -14.3981 -14.3981 -14.3793 -14.3793 -14.3345 -14.3345 -8.0362 -8.0362 -7.9805 -7.9805 -7.9206 -7.9206 -7.8445 -7.8445 -6.5559 -6.5559 -6.5377 -6.5377 -6.5203 -6.5203 -6.5129 -6.5129 -6.1852 -6.1852 -5.7499 -5.7499 -5.6831 -5.6831 -5.3452 -5.3452 -4.0330 -4.0330 -3.9028 -3.9028 -3.8271 -3.8271 -3.7606 -3.7606 -3.4131 -3.4131 -3.4022 -3.4022 -3.3665 -3.3665 -3.3358 -3.3358 -3.2413 -3.2413 -3.0481 -3.0481 -3.0072 -3.0072 -2.9839 -2.9839 4.2756 4.2756 4.4521 4.4521 4.4694 4.4694 4.5926 4.5926 4.6672 4.6672 4.9071 4.9071 k = 0.0000 0.0000 0.0500 ( 9446 PWs) bands (ev): -18.0241 -18.0241 -17.9574 -17.9574 -17.9391 -17.9391 -17.9184 -17.9184 -14.4266 -14.4266 -14.3977 -14.3977 -14.3796 -14.3796 -14.3347 -14.3347 -8.0357 -8.0357 -7.9803 -7.9803 -7.9206 -7.9206 -7.8452 -7.8452 -6.5563 -6.5563 -6.5386 -6.5386 -6.5193 -6.5193 -6.5121 -6.5121 -6.1839 -6.1839 -5.7562 -5.7562 -5.6774 -5.6774 -5.3467 -5.3467 -4.0310 -4.0310 -3.9033 -3.9033 -3.8303 -3.8303 -3.7589 -3.7589 -3.4134 -3.4134 -3.4043 -3.4043 -3.3633 -3.3633 -3.3357 -3.3357 -3.2419 -3.2419 -3.0509 -3.0509 -3.0066 -3.0066 -2.9822 -2.9822 4.2792 4.2792 4.4525 4.4525 4.4718 4.4718 4.5896 4.5896 4.6722 4.6722 4.9055 4.9055 k = 0.0000 0.0000 0.0750 ( 9450 PWs) bands (ev): -18.0237 -18.0237 -17.9580 -17.9580 -17.9390 -17.9390 -17.9185 -17.9185 -14.4265 -14.4265 -14.3969 -14.3969 -14.3801 -14.3801 -14.3350 -14.3350 -8.0347 -8.0347 -7.9802 -7.9802 -7.9206 -7.9206 -7.8464 -7.8464 -6.5568 -6.5568 -6.5400 -6.5400 -6.5179 -6.5179 -6.5108 -6.5108 -6.1818 -6.1818 -5.7651 -5.7651 -5.6694 -5.6694 -5.3492 -5.3492 -4.0276 -4.0276 -3.9041 -3.9041 -3.8353 -3.8353 -3.7565 -3.7565 -3.4140 -3.4140 -3.4071 -3.4071 -3.3587 -3.3587 -3.3355 -3.3355 -3.2429 -3.2429 -3.0552 -3.0552 -3.0056 -3.0056 -2.9797 -2.9797 4.2850 4.2850 4.4532 4.4532 4.4758 4.4758 4.5855 4.5855 4.6797 4.6797 4.9028 4.9028 k = 0.0000 0.0000 0.1001 ( 9445 PWs) bands (ev): -18.0231 -18.0231 -17.9587 -17.9587 -17.9387 -17.9387 -17.9186 -17.9186 -14.4265 -14.4265 -14.3960 -14.3960 -14.3807 -14.3807 -14.3354 -14.3354 -8.0335 -8.0335 -7.9800 -7.9800 -7.9206 -7.9206 -7.8479 -7.8479 -6.5576 -6.5576 -6.5416 -6.5416 -6.5161 -6.5161 -6.5091 -6.5091 -6.1787 -6.1787 -5.7754 -5.7754 -5.6603 -5.6603 -5.3526 -5.3526 -4.0230 -4.0230 -3.9052 -3.9052 -3.8414 -3.8414 -3.7537 -3.7537 -3.4150 -3.4150 -3.4099 -3.4099 -3.3532 -3.3532 -3.3351 -3.3351 -3.2444 -3.2444 -3.0607 -3.0607 -3.0043 -3.0043 -2.9768 -2.9768 4.2931 4.2931 4.4540 4.4540 4.4816 4.4816 4.5809 4.5809 4.6891 4.6891 4.8989 4.8989 k = 0.0000 0.0000 0.1251 ( 9438 PWs) bands (ev): -18.0223 -18.0223 -17.9597 -17.9597 -17.9384 -17.9384 -17.9188 -17.9188 -14.4263 -14.4263 -14.3947 -14.3947 -14.3816 -14.3816 -14.3359 -14.3359 -8.0318 -8.0318 -7.9797 -7.9797 -7.9205 -7.9205 -7.8500 -7.8500 -6.5585 -6.5585 -6.5434 -6.5434 -6.5141 -6.5141 -6.5070 -6.5070 -6.1748 -6.1748 -5.7867 -5.7867 -5.6505 -5.6505 -5.3569 -5.3569 -4.0172 -4.0172 -3.9066 -3.9066 -3.8485 -3.8485 -3.7511 -3.7511 -3.4168 -3.4168 -3.4121 -3.4121 -3.3470 -3.3470 -3.3346 -3.3346 -3.2461 -3.2461 -3.0672 -3.0672 -3.0026 -3.0026 -2.9736 -2.9736 4.3031 4.3031 4.4551 4.4551 4.4890 4.4890 4.5765 4.5765 4.6997 4.6997 4.8939 4.8939 k = 0.0000 0.0000 0.1501 ( 9444 PWs) bands (ev): -18.0214 -18.0214 -17.9608 -17.9608 -17.9380 -17.9380 -17.9190 -17.9190 -14.4261 -14.4261 -14.3933 -14.3933 -14.3826 -14.3826 -14.3366 -14.3366 -8.0299 -8.0299 -7.9794 -7.9794 -7.9204 -7.9204 -7.8524 -7.8524 -6.5594 -6.5594 -6.5453 -6.5453 -6.5120 -6.5120 -6.5047 -6.5047 -6.1701 -6.1701 -5.7987 -5.7987 -5.6405 -5.6405 -5.3620 -5.3620 -4.0102 -4.0102 -3.9081 -3.9081 -3.8560 -3.8560 -3.7489 -3.7489 -3.4192 -3.4192 -3.4137 -3.4137 -3.3404 -3.3404 -3.3339 -3.3339 -3.2482 -3.2482 -3.0744 -3.0744 -3.0006 -3.0006 -2.9705 -2.9705 4.3148 4.3148 4.4564 4.4564 4.4983 4.4983 4.5727 4.5727 4.7114 4.7114 4.8875 4.8875 k = 0.0000 0.0000 0.1751 ( 9447 PWs) bands (ev): -18.0203 -18.0203 -17.9622 -17.9622 -17.9376 -17.9376 -17.9192 -17.9192 -14.4258 -14.4258 -14.3917 -14.3917 -14.3837 -14.3837 -14.3374 -14.3374 -8.0277 -8.0277 -7.9790 -7.9790 -7.9203 -7.9203 -7.8551 -7.8551 -6.5605 -6.5605 -6.5473 -6.5473 -6.5098 -6.5098 -6.5021 -6.5021 -6.1644 -6.1644 -5.8112 -5.8112 -5.6303 -5.6303 -5.3679 -5.3679 -4.0024 -4.0024 -3.9097 -3.9097 -3.8639 -3.8639 -3.7472 -3.7472 -3.4218 -3.4218 -3.4150 -3.4150 -3.3346 -3.3346 -3.3319 -3.3319 -3.2506 -3.2506 -3.0821 -3.0821 -2.9984 -2.9984 -2.9675 -2.9675 4.3281 4.3281 4.4578 4.4578 4.5092 4.5092 4.5700 4.5700 4.7238 4.7238 4.8798 4.8798 k = 0.0000 0.0000 0.2001 ( 9445 PWs) bands (ev): -18.0190 -18.0190 -17.9637 -17.9637 -17.9371 -17.9371 -17.9195 -17.9195 -14.4254 -14.4254 -14.3899 -14.3899 -14.3851 -14.3851 -14.3383 -14.3383 -8.0251 -8.0251 -7.9787 -7.9787 -7.9201 -7.9201 -7.8582 -7.8582 -6.5615 -6.5615 -6.5492 -6.5492 -6.5075 -6.5075 -6.4995 -6.4995 -6.1580 -6.1580 -5.8241 -5.8241 -5.6200 -5.6200 -5.3745 -5.3745 -3.9937 -3.9937 -3.9113 -3.9113 -3.8719 -3.8719 -3.7463 -3.7463 -3.4244 -3.4244 -3.4162 -3.4162 -3.3328 -3.3328 -3.3255 -3.3255 -3.2531 -3.2531 -3.0902 -3.0902 -2.9959 -2.9959 -2.9647 -2.9647 4.3424 4.3424 4.4593 4.4593 4.5213 4.5213 4.5691 4.5691 4.7370 4.7370 4.8708 4.8708 k = 0.0000 0.0000 0.2251 ( 9440 PWs) bands (ev): -18.0177 -18.0177 -17.9653 -17.9653 -17.9365 -17.9365 -17.9198 -17.9198 -14.4248 -14.4248 -14.3880 -14.3880 -14.3865 -14.3865 -14.3394 -14.3394 -8.0224 -8.0224 -7.9783 -7.9783 -7.9200 -7.9200 -7.8616 -7.8616 -6.5625 -6.5625 -6.5512 -6.5512 -6.5052 -6.5052 -6.4968 -6.4968 -6.1507 -6.1507 -5.8373 -5.8373 -5.6098 -5.6098 -5.3817 -5.3817 -3.9845 -3.9845 -3.9127 -3.9127 -3.8798 -3.8798 -3.7463 -3.7463 -3.4268 -3.4268 -3.4175 -3.4175 -3.3317 -3.3317 -3.3181 -3.3181 -3.2557 -3.2557 -3.0986 -3.0986 -2.9933 -2.9933 -2.9622 -2.9622 4.3575 4.3575 4.4609 4.4609 4.5335 4.5335 4.5717 4.5717 4.7508 4.7508 4.8603 4.8603 k = 0.0000 0.0000 0.2502 ( 9440 PWs) bands (ev): -18.0161 -18.0161 -17.9671 -17.9671 -17.9359 -17.9359 -17.9202 -17.9202 -14.4242 -14.4242 -14.3881 -14.3881 -14.3859 -14.3859 -14.3405 -14.3405 -8.0194 -8.0194 -7.9780 -7.9780 -7.9197 -7.9197 -7.8653 -7.8653 -6.5635 -6.5635 -6.5531 -6.5531 -6.5028 -6.5028 -6.4942 -6.4942 -6.1425 -6.1425 -5.8509 -5.8509 -5.5996 -5.5996 -5.3894 -5.3894 -3.9751 -3.9751 -3.9136 -3.9136 -3.8876 -3.8876 -3.7471 -3.7471 -3.4289 -3.4289 -3.4188 -3.4188 -3.3304 -3.3304 -3.3107 -3.3107 -3.2584 -3.2584 -3.1073 -3.1073 -2.9905 -2.9905 -2.9601 -2.9601 4.3728 4.3728 4.4625 4.4625 4.5429 4.5429 4.5805 4.5805 4.7653 4.7653 4.8483 4.8483 k = 0.0000 0.0000 0.2752 ( 9450 PWs) bands (ev): -18.0145 -18.0145 -17.9691 -17.9691 -17.9353 -17.9353 -17.9206 -17.9206 -14.4234 -14.4234 -14.3898 -14.3898 -14.3838 -14.3838 -14.3418 -14.3418 -8.0162 -8.0162 -7.9778 -7.9778 -7.9194 -7.9194 -7.8691 -7.8691 -6.5645 -6.5645 -6.5550 -6.5550 -6.5005 -6.5005 -6.4917 -6.4917 -6.1336 -6.1336 -5.8647 -5.8647 -5.5894 -5.5894 -5.3976 -5.3976 -3.9659 -3.9659 -3.9136 -3.9136 -3.8951 -3.8951 -3.7489 -3.7489 -3.4307 -3.4307 -3.4202 -3.4202 -3.3289 -3.3289 -3.3035 -3.3035 -3.2608 -3.2608 -3.1162 -3.1162 -2.9876 -2.9876 -2.9583 -2.9583 4.3880 4.3880 4.4641 4.4641 4.5487 4.5487 4.5966 4.5966 4.7805 4.7805 4.8350 4.8350 k = 0.0000 0.0000 0.3002 ( 9452 PWs) bands (ev): -18.0127 -18.0127 -17.9711 -17.9711 -17.9346 -17.9346 -17.9211 -17.9211 -14.4225 -14.4225 -14.3916 -14.3916 -14.3815 -14.3815 -14.3432 -14.3432 -8.0129 -8.0129 -7.9776 -7.9776 -7.9189 -7.9189 -7.8731 -7.8731 -6.5653 -6.5653 -6.5568 -6.5568 -6.4981 -6.4981 -6.4894 -6.4894 -6.1240 -6.1240 -5.8787 -5.8787 -5.5793 -5.5793 -5.4061 -5.4061 -3.9578 -3.9578 -3.9119 -3.9119 -3.9023 -3.9023 -3.7518 -3.7518 -3.4322 -3.4322 -3.4217 -3.4217 -3.3273 -3.3273 -3.2967 -3.2967 -3.2626 -3.2626 -3.1252 -3.1252 -2.9847 -2.9847 -2.9569 -2.9569 4.4027 4.4027 4.4656 4.4656 4.5529 4.5529 4.6181 4.6181 4.7965 4.7965 4.8205 4.8205 k = 0.0000 0.0000 0.3252 ( 9449 PWs) bands (ev): -18.0108 -18.0108 -17.9733 -17.9733 -17.9338 -17.9338 -17.9216 -17.9216 -14.4215 -14.4215 -14.3934 -14.3934 -14.3792 -14.3792 -14.3447 -14.3447 -8.0094 -8.0094 -7.9775 -7.9775 -7.9184 -7.9184 -7.8772 -7.8772 -6.5661 -6.5661 -6.5584 -6.5584 -6.4958 -6.4958 -6.4874 -6.4874 -6.1135 -6.1135 -5.8930 -5.8930 -5.5693 -5.5693 -5.4149 -5.4149 -3.9516 -3.9516 -3.9094 -3.9094 -3.9073 -3.9073 -3.7557 -3.7557 -3.4334 -3.4334 -3.4232 -3.4232 -3.3254 -3.3254 -3.2913 -3.2913 -3.2631 -3.2631 -3.1343 -3.1343 -2.9817 -2.9817 -2.9559 -2.9559 4.4163 4.4163 4.4671 4.4671 4.5574 4.5574 4.6428 4.6428 4.8039 4.8039 4.8146 4.8146 k = 0.0000 0.0000 0.3502 ( 9441 PWs) bands (ev): -18.0087 -18.0087 -17.9755 -17.9755 -17.9331 -17.9331 -17.9222 -17.9222 -14.4203 -14.4203 -14.3953 -14.3953 -14.3769 -14.3769 -14.3463 -14.3463 -8.0060 -8.0060 -7.9776 -7.9776 -7.9177 -7.9177 -7.8813 -7.8813 -6.5668 -6.5668 -6.5600 -6.5600 -6.4936 -6.4936 -6.4855 -6.4855 -6.1024 -6.1024 -5.9074 -5.9074 -5.5593 -5.5593 -5.4240 -5.4240 -3.9477 -3.9477 -3.9153 -3.9153 -3.9006 -3.9006 -3.7606 -3.7606 -3.4343 -3.4343 -3.4247 -3.4247 -3.3233 -3.3233 -3.2882 -3.2882 -3.2612 -3.2612 -3.1434 -3.1434 -2.9787 -2.9787 -2.9553 -2.9553 4.4287 4.4287 4.4684 4.4684 4.5634 4.5634 4.6695 4.6695 4.7875 4.7875 4.8329 4.8329 k = 0.0000 0.0000 0.3752 ( 9445 PWs) bands (ev): -18.0066 -18.0066 -17.9778 -17.9778 -17.9323 -17.9323 -17.9228 -17.9228 -14.4191 -14.4191 -14.3973 -14.3973 -14.3745 -14.3745 -14.3480 -14.3480 -8.0025 -8.0025 -7.9778 -7.9778 -7.9169 -7.9169 -7.8854 -7.8854 -6.5673 -6.5673 -6.5615 -6.5615 -6.4915 -6.4915 -6.4841 -6.4841 -6.0907 -6.0907 -5.9220 -5.9220 -5.5494 -5.5494 -5.4333 -5.4333 -3.9458 -3.9458 -3.9209 -3.9209 -3.8913 -3.8913 -3.7666 -3.7666 -3.4350 -3.4350 -3.4262 -3.4262 -3.3211 -3.3211 -3.2878 -3.2878 -3.2566 -3.2566 -3.1527 -3.1527 -2.9758 -2.9758 -2.9550 -2.9550 4.4393 4.4393 4.4695 4.4695 4.5711 4.5711 4.6970 4.6970 4.7699 4.7699 4.8533 4.8533 k = 0.0000 0.0000 0.4003 ( 9455 PWs) bands (ev): -18.0044 -18.0044 -17.9802 -17.9802 -17.9315 -17.9315 -17.9235 -17.9235 -14.4177 -14.4177 -14.3993 -14.3993 -14.3721 -14.3721 -14.3498 -14.3498 -7.9991 -7.9991 -7.9783 -7.9783 -7.9158 -7.9158 -7.8894 -7.8894 -6.5677 -6.5677 -6.5629 -6.5629 -6.4895 -6.4895 -6.4829 -6.4829 -6.0784 -6.0784 -5.9367 -5.9367 -5.5396 -5.5396 -5.4427 -5.4427 -3.9450 -3.9450 -3.9259 -3.9259 -3.8804 -3.8804 -3.7735 -3.7735 -3.4354 -3.4354 -3.4277 -3.4277 -3.3186 -3.3186 -3.2893 -3.2893 -3.2500 -3.2500 -3.1619 -3.1619 -2.9729 -2.9729 -2.9552 -2.9552 4.4481 4.4481 4.4704 4.4704 4.5810 4.5810 4.7243 4.7243 4.7517 4.7517 4.8761 4.8761 k = 0.0000 0.0000 0.4253 ( 9446 PWs) bands (ev): -18.0022 -18.0022 -17.9826 -17.9826 -17.9306 -17.9306 -17.9242 -17.9242 -14.4162 -14.4162 -14.4013 -14.4013 -14.3697 -14.3697 -14.3518 -14.3518 -7.9958 -7.9958 -7.9790 -7.9790 -7.9146 -7.9146 -7.8933 -7.8933 -6.5680 -6.5680 -6.5641 -6.5641 -6.4877 -6.4877 -6.4822 -6.4822 -6.0655 -6.0655 -5.9514 -5.9514 -5.5297 -5.5297 -5.4522 -5.4522 -3.9446 -3.9446 -3.9303 -3.9303 -3.8687 -3.8687 -3.7814 -3.7814 -3.4355 -3.4355 -3.4291 -3.4291 -3.3160 -3.3160 -3.2917 -3.2917 -3.2423 -3.2423 -3.1711 -3.1711 -2.9702 -2.9702 -2.9557 -2.9557 4.4552 4.4552 4.4710 4.4710 4.5930 4.5930 4.7325 4.7325 4.7508 4.7508 4.8893 4.8893 k = 0.0000 0.0000 0.4503 ( 9442 PWs) bands (ev): -17.9998 -17.9998 -17.9851 -17.9851 -17.9298 -17.9298 -17.9249 -17.9249 -14.4146 -14.4146 -14.4033 -14.4033 -14.3673 -14.3673 -14.3538 -14.3538 -7.9927 -7.9927 -7.9800 -7.9800 -7.9130 -7.9130 -7.8970 -7.8970 -6.5681 -6.5681 -6.5651 -6.5651 -6.4861 -6.4861 -6.4817 -6.4817 -6.0522 -6.0522 -5.9662 -5.9662 -5.5200 -5.5200 -5.4618 -5.4618 -3.9443 -3.9443 -3.9341 -3.9341 -3.8566 -3.8566 -3.7902 -3.7902 -3.4354 -3.4354 -3.4305 -3.4305 -3.3132 -3.3132 -3.2946 -3.2946 -3.2340 -3.2340 -3.1803 -3.1803 -2.9676 -2.9676 -2.9565 -2.9565 4.4606 4.4606 4.4713 4.4713 4.6069 4.6069 4.7137 4.7137 4.7748 4.7748 4.8770 4.8770 k = 0.0000 0.0000 0.4753 ( 9447 PWs) bands (ev): -17.9974 -17.9974 -17.9875 -17.9875 -17.9290 -17.9290 -17.9257 -17.9257 -14.4129 -14.4129 -14.4053 -14.4053 -14.3649 -14.3649 -14.3559 -14.3559 -7.9898 -7.9898 -7.9813 -7.9813 -7.9112 -7.9112 -7.9005 -7.9005 -6.5680 -6.5680 -6.5660 -6.5660 -6.4846 -6.4846 -6.4817 -6.4817 -6.0385 -6.0385 -5.9809 -5.9809 -5.5102 -5.5102 -5.4715 -5.4715 -3.9438 -3.9438 -3.9372 -3.9372 -3.8446 -3.8446 -3.7998 -3.7998 -3.4350 -3.4350 -3.4317 -3.4317 -3.3103 -3.3103 -3.2977 -3.2977 -3.2254 -3.2254 -3.1895 -3.1895 -2.9652 -2.9652 -2.9577 -2.9577 4.4646 4.4646 4.4712 4.4712 4.6225 4.6225 4.6946 4.6946 4.7966 4.7966 4.8637 4.8637 k = 0.0000 0.0000 0.5003 ( 9448 PWs) bands (ev): -17.9950 -17.9950 -17.9900 -17.9900 -17.9281 -17.9281 -17.9265 -17.9265 -14.4111 -14.4111 -14.4073 -14.4073 -14.3626 -14.3626 -14.3580 -14.3580 -7.9872 -7.9872 -7.9829 -7.9829 -7.9090 -7.9090 -7.9036 -7.9036 -6.5678 -6.5678 -6.5668 -6.5668 -6.4834 -6.4834 -6.4819 -6.4819 -6.0244 -6.0244 -5.9956 -5.9956 -5.5005 -5.5005 -5.4811 -5.4811 -3.9429 -3.9429 -3.9397 -3.9397 -3.8327 -3.8327 -3.8102 -3.8102 -3.4345 -3.4345 -3.4328 -3.4328 -3.3072 -3.3072 -3.3009 -3.3009 -3.2166 -3.2166 -3.1986 -3.1986 -2.9629 -2.9629 -2.9592 -2.9592 4.4674 4.4674 4.4705 4.4705 4.6393 4.6393 4.6757 4.6757 4.8161 4.8161 4.8493 4.8493 k = 0.0000 0.0000 0.5253 ( 9450 PWs) bands (ev): -17.9925 -17.9925 -17.9925 -17.9925 -17.9273 -17.9273 -17.9273 -17.9273 -14.4092 -14.4092 -14.4092 -14.4092 -14.3603 -14.3603 -14.3603 -14.3603 -7.9849 -7.9849 -7.9849 -7.9849 -7.9065 -7.9065 -7.9065 -7.9065 -6.5674 -6.5674 -6.5674 -6.5674 -6.4825 -6.4825 -6.4825 -6.4825 -6.0101 -6.0101 -6.0101 -6.0101 -5.4908 -5.4908 -5.4908 -5.4908 -3.9416 -3.9416 -3.9416 -3.9416 -3.8212 -3.8212 -3.8212 -3.8212 -3.4337 -3.4337 -3.4337 -3.4337 -3.3041 -3.3041 -3.3041 -3.3041 -3.2076 -3.2076 -3.2076 -3.2076 -2.9609 -2.9609 -2.9609 -2.9609 4.4693 4.4693 4.4693 4.4693 4.6571 4.6571 4.6571 4.6571 4.8335 4.8335 4.8335 4.8335 k = 0.0000 0.0000 0.5253 ( 9450 PWs) bands (ev): -17.9925 -17.9925 -17.9925 -17.9925 -17.9273 -17.9273 -17.9273 -17.9273 -14.4092 -14.4092 -14.4092 -14.4092 -14.3603 -14.3603 -14.3603 -14.3603 -7.9849 -7.9849 -7.9849 -7.9849 -7.9065 -7.9065 -7.9065 -7.9065 -6.5674 -6.5674 -6.5674 -6.5674 -6.4825 -6.4825 -6.4825 -6.4825 -6.0101 -6.0101 -6.0101 -6.0101 -5.4908 -5.4908 -5.4908 -5.4908 -3.9416 -3.9416 -3.9416 -3.9416 -3.8212 -3.8212 -3.8212 -3.8212 -3.4337 -3.4337 -3.4337 -3.4337 -3.3041 -3.3041 -3.3041 -3.3041 -3.2076 -3.2076 -3.2076 -3.2076 -2.9609 -2.9609 -2.9609 -2.9609 4.4693 4.4693 4.4693 4.4693 4.6571 4.6571 4.6571 4.6571 4.8335 4.8335 4.8335 4.8335 k = 0.0000 0.0262 0.5253 ( 9450 PWs) bands (ev): -17.9926 -17.9926 -17.9923 -17.9923 -17.9275 -17.9275 -17.9270 -17.9270 -14.4106 -14.4106 -14.4076 -14.4076 -14.3606 -14.3606 -14.3598 -14.3598 -7.9897 -7.9897 -7.9804 -7.9804 -7.9076 -7.9076 -7.9056 -7.9056 -6.5720 -6.5720 -6.5646 -6.5646 -6.4841 -6.4841 -6.4825 -6.4825 -6.0098 -6.0098 -6.0096 -6.0096 -5.4933 -5.4933 -5.4880 -5.4880 -3.9424 -3.9424 -3.9408 -3.9408 -3.8270 -3.8270 -3.8154 -3.8154 -3.4370 -3.4370 -3.4305 -3.4305 -3.3062 -3.3062 -3.3020 -3.3020 -3.2108 -3.2108 -3.2046 -3.2046 -2.9622 -2.9622 -2.9600 -2.9600 4.4676 4.4676 4.4723 4.4723 4.6531 4.6531 4.6618 4.6618 4.8207 4.8207 4.8475 4.8475 k = 0.0000 0.0524 0.5253 ( 9451 PWs) bands (ev): -17.9926 -17.9926 -17.9918 -17.9918 -17.9276 -17.9276 -17.9266 -17.9266 -14.4118 -14.4118 -14.4058 -14.4058 -14.3607 -14.3607 -14.3590 -14.3590 -7.9947 -7.9947 -7.9762 -7.9762 -7.9088 -7.9088 -7.9048 -7.9048 -6.5785 -6.5785 -6.5636 -6.5636 -6.4871 -6.4871 -6.4840 -6.4840 -6.0088 -6.0088 -6.0085 -6.0085 -5.4955 -5.4955 -5.4848 -5.4848 -3.9434 -3.9434 -3.9401 -3.9401 -3.8329 -3.8329 -3.8099 -3.8099 -3.4404 -3.4404 -3.4275 -3.4275 -3.3084 -3.3084 -3.3000 -3.3000 -3.2141 -3.2141 -3.2017 -3.2017 -2.9638 -2.9638 -2.9594 -2.9594 4.4672 4.4672 4.4766 4.4766 4.6497 4.6497 4.6668 4.6668 4.8092 4.8092 4.8623 4.8623 k = 0.0000 0.0786 0.5253 ( 9458 PWs) bands (ev): -17.9924 -17.9924 -17.9913 -17.9913 -17.9276 -17.9276 -17.9262 -17.9262 -14.4127 -14.4127 -14.4037 -14.4037 -14.3606 -14.3606 -14.3581 -14.3581 -7.9999 -7.9999 -7.9723 -7.9723 -7.9103 -7.9103 -7.9041 -7.9041 -6.5868 -6.5868 -6.5646 -6.5646 -6.4916 -6.4916 -6.4870 -6.4870 -6.0070 -6.0070 -6.0066 -6.0066 -5.4974 -5.4974 -5.4814 -5.4814 -3.9445 -3.9445 -3.9393 -3.9393 -3.8386 -3.8386 -3.8046 -3.8046 -3.4439 -3.4439 -3.4245 -3.4245 -3.3105 -3.3105 -3.2980 -3.2980 -3.2176 -3.2176 -3.1988 -3.1988 -2.9656 -2.9656 -2.9591 -2.9591 4.4680 4.4680 4.4820 4.4820 4.6470 4.6470 4.6718 4.6718 4.7995 4.7995 4.8776 4.8776 k = 0.0000 0.1048 0.5253 ( 9461 PWs) bands (ev): -17.9921 -17.9921 -17.9906 -17.9906 -17.9276 -17.9276 -17.9256 -17.9256 -14.4135 -14.4135 -14.4015 -14.4015 -14.3603 -14.3603 -14.3569 -14.3569 -8.0053 -8.0053 -7.9688 -7.9688 -7.9120 -7.9120 -7.9035 -7.9035 -6.5968 -6.5968 -6.5675 -6.5675 -6.4975 -6.4975 -6.4916 -6.4916 -6.0044 -6.0044 -6.0041 -6.0041 -5.4990 -5.4990 -5.4776 -5.4776 -3.9460 -3.9460 -3.9385 -3.9385 -3.8440 -3.8440 -3.7997 -3.7997 -3.4476 -3.4476 -3.4216 -3.4216 -3.3128 -3.3128 -3.2961 -3.2961 -3.2212 -3.2212 -3.1961 -3.1961 -2.9677 -2.9677 -2.9591 -2.9591 4.4699 4.4699 4.4885 4.4885 4.6453 4.6453 4.6764 4.6764 4.7924 4.7924 4.8933 4.8933 k = 0.0000 0.1310 0.5253 ( 9455 PWs) bands (ev): -17.9916 -17.9916 -17.9898 -17.9898 -17.9274 -17.9274 -17.9250 -17.9250 -14.4140 -14.4140 -14.3990 -14.3990 -14.3599 -14.3599 -14.3556 -14.3556 -8.0109 -8.0109 -7.9658 -7.9658 -7.9139 -7.9139 -7.9029 -7.9029 -6.6084 -6.6084 -6.5723 -6.5723 -6.5046 -6.5046 -6.4976 -6.4976 -6.0010 -6.0010 -6.0009 -6.0009 -5.5003 -5.5003 -5.4736 -5.4736 -3.9479 -3.9479 -3.9376 -3.9376 -3.8491 -3.8491 -3.7952 -3.7952 -3.4515 -3.4515 -3.4187 -3.4187 -3.3150 -3.3150 -3.2943 -3.2943 -3.2250 -3.2250 -3.1933 -3.1933 -2.9701 -2.9701 -2.9594 -2.9594 4.4730 4.4730 4.4960 4.4960 4.6444 4.6444 4.6800 4.6800 4.7884 4.7884 4.9091 4.9091 k = 0.0000 0.1572 0.5253 ( 9449 PWs) bands (ev): -17.9909 -17.9909 -17.9888 -17.9888 -17.9272 -17.9272 -17.9243 -17.9243 -14.4143 -14.4143 -14.3964 -14.3964 -14.3592 -14.3592 -14.3540 -14.3540 -8.0166 -8.0166 -7.9632 -7.9632 -7.9160 -7.9160 -7.9024 -7.9024 -6.6215 -6.6215 -6.5789 -6.5789 -6.5129 -6.5129 -6.5050 -6.5050 -5.9971 -5.9971 -5.9968 -5.9968 -5.5014 -5.5014 -5.4693 -5.4693 -3.9503 -3.9503 -3.9366 -3.9366 -3.8537 -3.8537 -3.7913 -3.7913 -3.4555 -3.4555 -3.4158 -3.4158 -3.3173 -3.3173 -3.2926 -3.2926 -3.2290 -3.2290 -3.1907 -3.1907 -2.9727 -2.9727 -2.9601 -2.9601 4.4769 4.4769 4.5042 4.5042 4.6445 4.6445 4.6821 4.6821 4.7881 4.7881 4.9250 4.9250 k = 0.0000 0.1834 0.5253 ( 9448 PWs) bands (ev): -17.9902 -17.9902 -17.9877 -17.9877 -17.9269 -17.9269 -17.9235 -17.9235 -14.4144 -14.4144 -14.3936 -14.3936 -14.3584 -14.3584 -14.3522 -14.3522 -8.0224 -8.0224 -7.9611 -7.9611 -7.9184 -7.9184 -7.9019 -7.9019 -6.6360 -6.6360 -6.5873 -6.5873 -6.5224 -6.5224 -6.5137 -6.5137 -5.9927 -5.9927 -5.9918 -5.9918 -5.5022 -5.5022 -5.4647 -5.4647 -3.9532 -3.9532 -3.9355 -3.9355 -3.8578 -3.8578 -3.7880 -3.7880 -3.4596 -3.4596 -3.4130 -3.4130 -3.3197 -3.3197 -3.2910 -3.2910 -3.2332 -3.2332 -3.1880 -3.1880 -2.9755 -2.9755 -2.9610 -2.9610 4.4815 4.4815 4.5130 4.5130 4.6457 4.6457 4.6827 4.6827 4.7919 4.7919 4.9407 4.9407 k = 0.0000 0.2096 0.5253 ( 9450 PWs) bands (ev): -17.9892 -17.9892 -17.9865 -17.9865 -17.9265 -17.9265 -17.9226 -17.9226 -14.4143 -14.4143 -14.3906 -14.3906 -14.3574 -14.3574 -14.3502 -14.3502 -8.0282 -8.0282 -7.9595 -7.9595 -7.9211 -7.9211 -7.9014 -7.9014 -6.6519 -6.6519 -6.5975 -6.5975 -6.5327 -6.5327 -6.5237 -6.5237 -5.9877 -5.9877 -5.9860 -5.9860 -5.5028 -5.5028 -5.4600 -5.4600 -3.9568 -3.9568 -3.9343 -3.9343 -3.8612 -3.8612 -3.7853 -3.7853 -3.4638 -3.4638 -3.4101 -3.4101 -3.3222 -3.3222 -3.2895 -3.2895 -3.2376 -3.2376 -3.1854 -3.1854 -2.9785 -2.9785 -2.9623 -2.9623 4.4863 4.4863 4.5219 4.5219 4.6481 4.6481 4.6820 4.6820 4.7997 4.7997 4.9564 4.9564 k = 0.0000 0.2358 0.5253 ( 9456 PWs) bands (ev): -17.9882 -17.9882 -17.9852 -17.9852 -17.9261 -17.9261 -17.9216 -17.9216 -14.4140 -14.4140 -14.3875 -14.3875 -14.3563 -14.3563 -14.3481 -14.3481 -8.0341 -8.0341 -7.9584 -7.9584 -7.9241 -7.9241 -7.9008 -7.9008 -6.6689 -6.6689 -6.6093 -6.6093 -6.5439 -6.5439 -6.5349 -6.5349 -5.9821 -5.9821 -5.9794 -5.9794 -5.5033 -5.5033 -5.4550 -5.4550 -3.9610 -3.9610 -3.9331 -3.9331 -3.8641 -3.8641 -3.7833 -3.7833 -3.4681 -3.4681 -3.4073 -3.4073 -3.3248 -3.3248 -3.2883 -3.2883 -3.2421 -3.2421 -3.1829 -3.1829 -2.9816 -2.9816 -2.9639 -2.9639 4.4911 4.4911 4.5306 4.5306 4.6519 4.6519 4.6808 4.6808 4.8107 4.8107 4.9720 4.9720 k = 0.0000 0.2620 0.5253 ( 9459 PWs) bands (ev): -17.9870 -17.9870 -17.9837 -17.9837 -17.9256 -17.9256 -17.9206 -17.9206 -14.4135 -14.4135 -14.3842 -14.3842 -14.3550 -14.3550 -14.3457 -14.3457 -8.0401 -8.0401 -7.9579 -7.9579 -7.9272 -7.9272 -7.9003 -7.9003 -6.6869 -6.6869 -6.6226 -6.6226 -6.5559 -6.5559 -6.5472 -6.5472 -5.9759 -5.9759 -5.9721 -5.9721 -5.5035 -5.5035 -5.4499 -5.4499 -3.9657 -3.9657 -3.9318 -3.9318 -3.8663 -3.8663 -3.7820 -3.7820 -3.4724 -3.4724 -3.4045 -3.4045 -3.3275 -3.3275 -3.2871 -3.2871 -3.2468 -3.2468 -3.1803 -3.1803 -2.9848 -2.9848 -2.9658 -2.9658 4.4954 4.4954 4.5387 4.5387 4.6573 4.6573 4.6801 4.6801 4.8245 4.8245 4.9874 4.9874 k = 0.0000 0.2882 0.5253 ( 9456 PWs) bands (ev): -17.9857 -17.9857 -17.9822 -17.9822 -17.9251 -17.9251 -17.9196 -17.9196 -14.4128 -14.4128 -14.3808 -14.3808 -14.3537 -14.3537 -14.3432 -14.3432 -8.0460 -8.0460 -7.9579 -7.9579 -7.9307 -7.9307 -7.8998 -7.8998 -6.7058 -6.7058 -6.6373 -6.6373 -6.5685 -6.5685 -6.5605 -6.5605 -5.9692 -5.9692 -5.9640 -5.9640 -5.5037 -5.5037 -5.4446 -5.4446 -3.9711 -3.9711 -3.9305 -3.9305 -3.8681 -3.8681 -3.7814 -3.7814 -3.4768 -3.4768 -3.4017 -3.4017 -3.3304 -3.3304 -3.2862 -3.2862 -3.2515 -3.2515 -3.1779 -3.1779 -2.9881 -2.9881 -2.9680 -2.9680 4.4987 4.4987 4.5456 4.5456 4.6646 4.6646 4.6806 4.6806 4.8406 4.8406 5.0025 5.0025 k = 0.0000 0.3144 0.5253 ( 9461 PWs) bands (ev): -17.9843 -17.9843 -17.9806 -17.9806 -17.9245 -17.9245 -17.9184 -17.9184 -14.4119 -14.4119 -14.3773 -14.3773 -14.3522 -14.3522 -14.3406 -14.3406 -8.0519 -8.0519 -7.9584 -7.9584 -7.9344 -7.9344 -7.8993 -7.8993 -6.7254 -6.7254 -6.6533 -6.6533 -6.5816 -6.5816 -6.5746 -6.5746 -5.9620 -5.9620 -5.9553 -5.9553 -5.5037 -5.5037 -5.4393 -5.4393 -3.9768 -3.9768 -3.9291 -3.9291 -3.8694 -3.8694 -3.7816 -3.7816 -3.4811 -3.4811 -3.3991 -3.3991 -3.3336 -3.3336 -3.2854 -3.2854 -3.2563 -3.2563 -3.1755 -3.1755 -2.9914 -2.9914 -2.9704 -2.9704 4.5007 4.5007 4.5510 4.5510 4.6738 4.6738 4.6829 4.6829 4.8584 4.8584 5.0153 5.0153 k = 0.0000 0.3406 0.5253 ( 9457 PWs) bands (ev): -17.9828 -17.9828 -17.9789 -17.9789 -17.9238 -17.9238 -17.9173 -17.9173 -14.4109 -14.4109 -14.3736 -14.3736 -14.3506 -14.3506 -14.3377 -14.3377 -8.0578 -8.0578 -7.9593 -7.9593 -7.9383 -7.9383 -7.8989 -7.8989 -6.7456 -6.7456 -6.6703 -6.6703 -6.5951 -6.5951 -6.5895 -6.5895 -5.9544 -5.9544 -5.9458 -5.9458 -5.5036 -5.5036 -5.4339 -5.4339 -3.9828 -3.9828 -3.9277 -3.9277 -3.8704 -3.8704 -3.7824 -3.7824 -3.4853 -3.4853 -3.3967 -3.3967 -3.3370 -3.3370 -3.2849 -3.2849 -3.2610 -3.2610 -3.1731 -3.1731 -2.9947 -2.9947 -2.9730 -2.9730 4.5011 4.5011 4.5546 4.5546 4.6841 4.6841 4.6879 4.6879 4.8776 4.8776 5.0199 5.0199 k = 0.0000 0.3668 0.5253 ( 9444 PWs) bands (ev): -17.9812 -17.9812 -17.9772 -17.9772 -17.9232 -17.9232 -17.9160 -17.9160 -14.4098 -14.4098 -14.3700 -14.3700 -14.3489 -14.3489 -14.3348 -14.3348 -8.0636 -8.0636 -7.9607 -7.9607 -7.9424 -7.9424 -7.8986 -7.8986 -6.7662 -6.7662 -6.6882 -6.6882 -6.6089 -6.6089 -6.6050 -6.6050 -5.9462 -5.9462 -5.9357 -5.9357 -5.5035 -5.5035 -5.4286 -5.4286 -3.9891 -3.9891 -3.9263 -3.9263 -3.8712 -3.8712 -3.7840 -3.7840 -3.4893 -3.4893 -3.3946 -3.3946 -3.3407 -3.3407 -3.2846 -3.2846 -3.2654 -3.2654 -3.1709 -3.1709 -2.9978 -2.9978 -2.9759 -2.9759 4.4998 4.4998 4.5564 4.5564 4.6918 4.6918 4.6993 4.6993 4.8980 4.8980 5.0250 5.0250 k = 0.0000 0.3930 0.5253 ( 9440 PWs) bands (ev): -17.9795 -17.9795 -17.9754 -17.9754 -17.9224 -17.9224 -17.9148 -17.9148 -14.4084 -14.4084 -14.3662 -14.3662 -14.3472 -14.3472 -14.3317 -14.3317 -8.0693 -8.0693 -7.9625 -7.9625 -7.9467 -7.9467 -7.8985 -7.8985 -6.7871 -6.7871 -6.7069 -6.7069 -6.6231 -6.6231 -6.6210 -6.6210 -5.9377 -5.9377 -5.9251 -5.9251 -5.5033 -5.5033 -5.4233 -5.4233 -3.9955 -3.9955 -3.9250 -3.9250 -3.8719 -3.8719 -3.7861 -3.7861 -3.4932 -3.4932 -3.3930 -3.3930 -3.3447 -3.3447 -3.2846 -3.2846 -3.2696 -3.2696 -3.1688 -3.1688 -3.0009 -3.0009 -2.9790 -2.9790 4.4971 4.4971 4.5564 4.5564 4.6994 4.6994 4.7138 4.7138 4.9192 4.9192 5.0307 5.0307 k = 0.0000 0.4192 0.5253 ( 9438 PWs) bands (ev): -17.9777 -17.9777 -17.9736 -17.9736 -17.9217 -17.9217 -17.9135 -17.9135 -14.4070 -14.4070 -14.3625 -14.3625 -14.3454 -14.3454 -14.3285 -14.3285 -8.0748 -8.0748 -7.9646 -7.9646 -7.9512 -7.9512 -7.8986 -7.8986 -6.8081 -6.8081 -6.7262 -6.7262 -6.6375 -6.6375 -6.6372 -6.6372 -5.9287 -5.9287 -5.9140 -5.9140 -5.5031 -5.5031 -5.4180 -5.4180 -4.0018 -4.0018 -3.9237 -3.9237 -3.8726 -3.8726 -3.7889 -3.7889 -3.4968 -3.4968 -3.3921 -3.3921 -3.3491 -3.3491 -3.2848 -3.2848 -3.2733 -3.2733 -3.1669 -3.1669 -3.0038 -3.0038 -2.9822 -2.9822 4.4930 4.4930 4.5549 4.5549 4.7078 4.7078 4.7296 4.7296 4.9411 4.9411 5.0343 5.0343 k = 0.0000 0.4454 0.5253 ( 9443 PWs) bands (ev): -17.9759 -17.9759 -17.9718 -17.9718 -17.9210 -17.9210 -17.9122 -17.9122 -14.4055 -14.4055 -14.3587 -14.3587 -14.3436 -14.3436 -14.3252 -14.3252 -8.0803 -8.0803 -7.9670 -7.9670 -7.9558 -7.9558 -7.8990 -7.8990 -6.8290 -6.8290 -6.7459 -6.7459 -6.6540 -6.6540 -6.6516 -6.6516 -5.9194 -5.9194 -5.9024 -5.9024 -5.5029 -5.5029 -5.4130 -5.4130 -4.0080 -4.0080 -3.9225 -3.9225 -3.8734 -3.8734 -3.7921 -3.7921 -3.5001 -3.5001 -3.3919 -3.3919 -3.3537 -3.3537 -3.2853 -3.2853 -3.2765 -3.2765 -3.1651 -3.1651 -3.0064 -3.0064 -2.9854 -2.9854 4.4880 4.4880 4.5521 4.5521 4.7167 4.7167 4.7461 4.7461 4.9632 4.9632 5.0258 5.0258 k = 0.0000 0.4716 0.5253 ( 9437 PWs) bands (ev): -17.9740 -17.9740 -17.9699 -17.9699 -17.9202 -17.9202 -17.9109 -17.9109 -14.4038 -14.4038 -14.3549 -14.3549 -14.3418 -14.3418 -14.3219 -14.3219 -8.0855 -8.0855 -7.9698 -7.9698 -7.9606 -7.9606 -7.8996 -7.8996 -6.8497 -6.8497 -6.7659 -6.7659 -6.6707 -6.6707 -6.6659 -6.6659 -5.9098 -5.9098 -5.8904 -5.8904 -5.5027 -5.5027 -5.4081 -5.4081 -4.0140 -4.0140 -3.9214 -3.9214 -3.8743 -3.8743 -3.7959 -3.7959 -3.5030 -3.5030 -3.3926 -3.3926 -3.3586 -3.3586 -3.2862 -3.2862 -3.2789 -3.2789 -3.1636 -3.1636 -3.0089 -3.0089 -2.9888 -2.9888 4.4823 4.4823 4.5481 4.5481 4.7257 4.7257 4.7629 4.7629 4.9851 4.9851 5.0162 5.0162 k = 0.0000 0.4978 0.5253 ( 9434 PWs) bands (ev): -17.9721 -17.9721 -17.9681 -17.9681 -17.9194 -17.9194 -17.9096 -17.9096 -14.4021 -14.4021 -14.3512 -14.3512 -14.3399 -14.3399 -14.3185 -14.3185 -8.0905 -8.0905 -7.9728 -7.9728 -7.9654 -7.9654 -7.9005 -7.9005 -6.8700 -6.8700 -6.7860 -6.7860 -6.6874 -6.6874 -6.6801 -6.6801 -5.8999 -5.8999 -5.8782 -5.8782 -5.5025 -5.5025 -5.4035 -5.4035 -4.0197 -4.0197 -3.9205 -3.9205 -3.8754 -3.8754 -3.7999 -3.7999 -3.5055 -3.5055 -3.3945 -3.3945 -3.3637 -3.3637 -3.2873 -3.2873 -3.2805 -3.2805 -3.1623 -3.1623 -3.0111 -3.0111 -2.9921 -2.9921 4.4762 4.4762 4.5431 4.5431 4.7342 4.7342 4.7794 4.7794 5.0056 5.0056 5.0075 5.0075 k = 0.0000 0.5240 0.5253 ( 9434 PWs) bands (ev): -17.9701 -17.9701 -17.9662 -17.9662 -17.9186 -17.9186 -17.9083 -17.9083 -14.4003 -14.4003 -14.3475 -14.3475 -14.3382 -14.3382 -14.3151 -14.3151 -8.0953 -8.0953 -7.9760 -7.9760 -7.9703 -7.9703 -7.9018 -7.9018 -6.8899 -6.8899 -6.8061 -6.8061 -6.7040 -6.7040 -6.6941 -6.6941 -5.8898 -5.8898 -5.8657 -5.8657 -5.5022 -5.5022 -5.3991 -5.3991 -4.0250 -4.0250 -3.9197 -3.9197 -3.8767 -3.8767 -3.8043 -3.8043 -3.5076 -3.5076 -3.3976 -3.3976 -3.3689 -3.3689 -3.2887 -3.2887 -3.2813 -3.2813 -3.1613 -3.1613 -3.0130 -3.0130 -2.9954 -2.9954 4.4698 4.4698 4.5373 4.5373 4.7421 4.7421 4.7950 4.7950 4.9980 4.9980 5.0264 5.0264 k = 0.0000 0.5502 0.5253 ( 9441 PWs) bands (ev): -17.9681 -17.9681 -17.9645 -17.9645 -17.9179 -17.9179 -17.9069 -17.9069 -14.3984 -14.3984 -14.3439 -14.3439 -14.3364 -14.3364 -14.3116 -14.3116 -8.0999 -8.0999 -7.9795 -7.9795 -7.9752 -7.9752 -7.9033 -7.9033 -6.9091 -6.9091 -6.8261 -6.8261 -6.7204 -6.7204 -6.7078 -6.7078 -5.8795 -5.8795 -5.8532 -5.8532 -5.5020 -5.5020 -5.3952 -5.3952 -4.0298 -4.0298 -3.9192 -3.9192 -3.8783 -3.8783 -3.8089 -3.8089 -3.5092 -3.5092 -3.4020 -3.4020 -3.3741 -3.3741 -3.2904 -3.2904 -3.2813 -3.2813 -3.1607 -3.1607 -3.0147 -3.0147 -2.9985 -2.9985 4.4634 4.4634 4.5308 4.5308 4.7490 4.7490 4.8093 4.8093 4.9907 4.9907 5.0444 5.0444 k = 0.0000 0.5764 0.5253 ( 9431 PWs) bands (ev): -17.9661 -17.9661 -17.9627 -17.9627 -17.9171 -17.9171 -17.9057 -17.9057 -14.3965 -14.3965 -14.3404 -14.3404 -14.3347 -14.3347 -14.3082 -14.3082 -8.1041 -8.1041 -7.9831 -7.9831 -7.9800 -7.9800 -7.9052 -7.9052 -6.9275 -6.9275 -6.8458 -6.8458 -6.7364 -6.7364 -6.7212 -6.7212 -5.8690 -5.8690 -5.8406 -5.8406 -5.5017 -5.5017 -5.3916 -5.3916 -4.0341 -4.0341 -3.9189 -3.9189 -3.8801 -3.8801 -3.8136 -3.8136 -3.5102 -3.5102 -3.4075 -3.4075 -3.3792 -3.3792 -3.2923 -3.2923 -3.2805 -3.2805 -3.1604 -3.1604 -3.0161 -3.0161 -3.0015 -3.0015 4.4572 4.4572 4.5239 4.5239 4.7548 4.7548 4.8215 4.8215 4.9852 4.9852 5.0603 5.0603 k = 0.0000 0.6026 0.5253 ( 9433 PWs) bands (ev): -17.9640 -17.9640 -17.9611 -17.9611 -17.9164 -17.9164 -17.9044 -17.9044 -14.3945 -14.3945 -14.3371 -14.3371 -14.3330 -14.3330 -14.3048 -14.3048 -8.1081 -8.1081 -7.9869 -7.9869 -7.9848 -7.9848 -7.9074 -7.9074 -6.9451 -6.9451 -6.8652 -6.8652 -6.7519 -6.7519 -6.7341 -6.7341 -5.8585 -5.8585 -5.8283 -5.8283 -5.5013 -5.5013 -5.3885 -5.3885 -4.0378 -4.0378 -3.9189 -3.9189 -3.8822 -3.8822 -3.8184 -3.8184 -3.5107 -3.5107 -3.4141 -3.4141 -3.3843 -3.3843 -3.2947 -3.2947 -3.2790 -3.2790 -3.1606 -3.1606 -3.0172 -3.0172 -3.0041 -3.0041 4.4511 4.4511 4.5166 4.5166 4.7595 4.7595 4.8307 4.8307 4.9822 4.9822 5.0745 5.0745 k = 0.0000 0.6288 0.5253 ( 9419 PWs) bands (ev): -17.9620 -17.9620 -17.9595 -17.9595 -17.9156 -17.9156 -17.9032 -17.9032 -14.3925 -14.3925 -14.3338 -14.3338 -14.3315 -14.3315 -14.3015 -14.3015 -8.1117 -8.1117 -7.9909 -7.9909 -7.9894 -7.9894 -7.9098 -7.9098 -6.9616 -6.9616 -6.8840 -6.8840 -6.7669 -6.7669 -6.7466 -6.7466 -5.8480 -5.8480 -5.8161 -5.8161 -5.5007 -5.5007 -5.3859 -5.3859 -4.0407 -4.0407 -3.9192 -3.9192 -3.8845 -3.8845 -3.8231 -3.8231 -3.5106 -3.5106 -3.4216 -3.4216 -3.3892 -3.3892 -3.2973 -3.2973 -3.2771 -3.2771 -3.1611 -3.1611 -3.0181 -3.0181 -3.0065 -3.0065 4.4454 4.4454 4.5091 4.5091 4.7632 4.7632 4.8366 4.8366 4.9822 4.9822 5.0874 5.0874 k = 0.0000 0.6550 0.5253 ( 9410 PWs) bands (ev): -17.9600 -17.9600 -17.9580 -17.9580 -17.9149 -17.9149 -17.9020 -17.9020 -14.3905 -14.3905 -14.3308 -14.3308 -14.3300 -14.3300 -14.2982 -14.2982 -8.1149 -8.1149 -7.9950 -7.9950 -7.9938 -7.9938 -7.9126 -7.9126 -6.9771 -6.9771 -6.9023 -6.9023 -6.7812 -6.7812 -6.7585 -6.7585 -5.8374 -5.8374 -5.8045 -5.8045 -5.4999 -5.4999 -5.3838 -5.3838 -4.0430 -4.0430 -3.9199 -3.9199 -3.8870 -3.8870 -3.8277 -3.8277 -3.5099 -3.5099 -3.4298 -3.4298 -3.3940 -3.3940 -3.3003 -3.3003 -3.2747 -3.2747 -3.1622 -3.1622 -3.0188 -3.0188 -3.0085 -3.0085 4.4401 4.4401 4.5015 4.5015 4.7659 4.7659 4.8387 4.8387 4.9852 4.9852 5.0993 5.0993 k = 0.0000 0.6812 0.5253 ( 9407 PWs) bands (ev): -17.9581 -17.9581 -17.9566 -17.9566 -17.9142 -17.9142 -17.9009 -17.9009 -14.3885 -14.3885 -14.3287 -14.3287 -14.3279 -14.3279 -14.2950 -14.2950 -8.1177 -8.1177 -7.9992 -7.9992 -7.9980 -7.9980 -7.9156 -7.9156 -6.9913 -6.9913 -6.9198 -6.9198 -6.7949 -6.7949 -6.7698 -6.7698 -5.8270 -5.8270 -5.7935 -5.7935 -5.4988 -5.4988 -5.3824 -5.3824 -4.0444 -4.0444 -3.9209 -3.9209 -3.8897 -3.8897 -3.8322 -3.8322 -3.5087 -3.5087 -3.4385 -3.4385 -3.3986 -3.3986 -3.3036 -3.3036 -3.2719 -3.2719 -3.1637 -3.1637 -3.0192 -3.0192 -3.0102 -3.0102 4.4353 4.4353 4.4939 4.4939 4.7678 4.7678 4.8374 4.8374 4.9910 4.9910 5.1102 5.1102 k = 0.0000 0.7074 0.5253 ( 9406 PWs) bands (ev): -17.9561 -17.9561 -17.9554 -17.9554 -17.9136 -17.9136 -17.8998 -17.8998 -14.3865 -14.3865 -14.3275 -14.3275 -14.3252 -14.3252 -14.2919 -14.2919 -8.1201 -8.1201 -8.0035 -8.0035 -8.0019 -8.0019 -7.9188 -7.9188 -7.0044 -7.0044 -6.9366 -6.9366 -6.8077 -6.8077 -6.7805 -6.7805 -5.8166 -5.8166 -5.7833 -5.7833 -5.4974 -5.4974 -5.3816 -5.3816 -4.0450 -4.0450 -3.9223 -3.9223 -3.8925 -3.8925 -3.8365 -3.8365 -3.5069 -3.5069 -3.4476 -3.4476 -3.4029 -3.4029 -3.3072 -3.3072 -3.2690 -3.2690 -3.1657 -3.1657 -3.0195 -3.0195 -3.0113 -3.0113 4.4310 4.4310 4.4864 4.4864 4.7690 4.7690 4.8334 4.8334 4.9988 4.9988 5.1202 5.1202 k = 0.0000 0.7336 0.5253 ( 9409 PWs) bands (ev): -17.9543 -17.9543 -17.9543 -17.9543 -17.9130 -17.9130 -17.8988 -17.8988 -14.3846 -14.3846 -14.3265 -14.3265 -14.3227 -14.3227 -14.2890 -14.2890 -8.1221 -8.1221 -8.0078 -8.0078 -8.0054 -8.0054 -7.9221 -7.9221 -7.0161 -7.0161 -6.9525 -6.9525 -6.8196 -6.8196 -6.7905 -6.7905 -5.8065 -5.8065 -5.7741 -5.7741 -5.4953 -5.4953 -5.3814 -5.3814 -4.0448 -4.0448 -3.9240 -3.9240 -3.8954 -3.8954 -3.8405 -3.8405 -3.5045 -3.5045 -3.4570 -3.4570 -3.4069 -3.4069 -3.3110 -3.3110 -3.2660 -3.2660 -3.1681 -3.1681 -3.0196 -3.0196 -3.0121 -3.0121 4.4274 4.4274 4.4791 4.4791 4.7697 4.7697 4.8274 4.8274 5.0078 5.0078 5.1291 5.1291 k = 0.0000 0.7598 0.5253 ( 9416 PWs) bands (ev): -17.9533 -17.9533 -17.9525 -17.9525 -17.9124 -17.9124 -17.8979 -17.8979 -14.3827 -14.3827 -14.3256 -14.3256 -14.3205 -14.3205 -14.2862 -14.2862 -8.1237 -8.1237 -8.0123 -8.0123 -8.0085 -8.0085 -7.9256 -7.9256 -7.0264 -7.0264 -6.9675 -6.9675 -6.8306 -6.8306 -6.7997 -6.7997 -5.7965 -5.7965 -5.7661 -5.7661 -5.4927 -5.4927 -5.3820 -5.3820 -4.0437 -4.0437 -3.9259 -3.9259 -3.8983 -3.8983 -3.8444 -3.8444 -3.5017 -3.5017 -3.4665 -3.4665 -3.4105 -3.4105 -3.3152 -3.3152 -3.2629 -3.2629 -3.1709 -3.1709 -3.0196 -3.0196 -3.0124 -3.0124 4.4246 4.4246 4.4720 4.4720 4.7700 4.7700 4.8201 4.8201 5.0173 5.0173 5.1370 5.1370 k = 0.0000 0.7860 0.5253 ( 9408 PWs) bands (ev): -17.9525 -17.9525 -17.9507 -17.9507 -17.9118 -17.9118 -17.8970 -17.8970 -14.3808 -14.3808 -14.3249 -14.3249 -14.3185 -14.3185 -14.2835 -14.2835 -8.1247 -8.1247 -8.0168 -8.0168 -8.0112 -8.0112 -7.9292 -7.9292 -7.0353 -7.0353 -6.9815 -6.9815 -6.8407 -6.8407 -6.8082 -6.8082 -5.7869 -5.7869 -5.7595 -5.7595 -5.4893 -5.4893 -5.3833 -5.3833 -4.0417 -4.0417 -3.9282 -3.9282 -3.9011 -3.9011 -3.8481 -3.8481 -3.4983 -3.4983 -3.4761 -3.4761 -3.4136 -3.4136 -3.3196 -3.3196 -3.2598 -3.2598 -3.1740 -3.1740 -3.0194 -3.0194 -3.0123 -3.0123 4.4224 4.4224 4.4653 4.4653 4.7701 4.7701 4.8119 4.8119 5.0267 5.0267 5.1437 5.1437 k = 0.0000 0.8122 0.5253 ( 9412 PWs) bands (ev): -17.9519 -17.9519 -17.9490 -17.9490 -17.9113 -17.9113 -17.8963 -17.8963 -14.3790 -14.3790 -14.3244 -14.3244 -14.3168 -14.3168 -14.2811 -14.2811 -8.1253 -8.1253 -8.0212 -8.0212 -8.0134 -8.0134 -7.9327 -7.9327 -7.0428 -7.0428 -6.9945 -6.9945 -6.8497 -6.8497 -6.8160 -6.8160 -5.7775 -5.7775 -5.7545 -5.7545 -5.4851 -5.4851 -5.3854 -5.3854 -4.0388 -4.0388 -3.9306 -3.9306 -3.9038 -3.9038 -3.8515 -3.8515 -3.4945 -3.4945 -3.4856 -3.4856 -3.4162 -3.4162 -3.3243 -3.3243 -3.2567 -3.2567 -3.1775 -3.1775 -3.0192 -3.0192 -3.0118 -3.0118 4.4211 4.4211 4.4590 4.4590 4.7701 4.7701 4.8032 4.8032 5.0358 5.0358 5.1492 5.1492 k = 0.0000 0.8384 0.5253 ( 9411 PWs) bands (ev): -17.9515 -17.9515 -17.9474 -17.9474 -17.9109 -17.9109 -17.8956 -17.8956 -14.3772 -14.3772 -14.3240 -14.3240 -14.3153 -14.3153 -14.2788 -14.2788 -8.1254 -8.1254 -8.0258 -8.0258 -8.0151 -8.0151 -7.9362 -7.9362 -7.0488 -7.0488 -7.0063 -7.0063 -6.8577 -6.8577 -6.8229 -6.8229 -5.7685 -5.7685 -5.7511 -5.7511 -5.4800 -5.4800 -5.3882 -5.3882 -4.0351 -4.0351 -3.9331 -3.9331 -3.9064 -3.9064 -3.8549 -3.8549 -3.4950 -3.4950 -3.4903 -3.4903 -3.4182 -3.4182 -3.3291 -3.3291 -3.2538 -3.2538 -3.1811 -3.1811 -3.0189 -3.0189 -3.0109 -3.0109 4.4205 4.4205 4.4532 4.4532 4.7700 4.7700 4.7943 4.7943 5.0442 5.0442 5.1535 5.1535 k = 0.0000 0.8646 0.5253 ( 9413 PWs) bands (ev): -17.9513 -17.9513 -17.9460 -17.9460 -17.9105 -17.9105 -17.8950 -17.8950 -14.3755 -14.3755 -14.3239 -14.3239 -14.3142 -14.3142 -14.2767 -14.2767 -8.1251 -8.1251 -8.0302 -8.0302 -8.0162 -8.0162 -7.9396 -7.9396 -7.0533 -7.0533 -7.0169 -7.0169 -6.8646 -6.8646 -6.8290 -6.8290 -5.7599 -5.7599 -5.7495 -5.7495 -5.4740 -5.4740 -5.3918 -5.3918 -4.0305 -4.0305 -3.9358 -3.9358 -3.9086 -3.9086 -3.8581 -3.8581 -3.5042 -3.5042 -3.4856 -3.4856 -3.4197 -3.4197 -3.3341 -3.3341 -3.2510 -3.2510 -3.1849 -3.1849 -3.0186 -3.0186 -3.0097 -3.0097 4.4209 4.4209 4.4478 4.4478 4.7700 4.7700 4.7854 4.7854 5.0518 5.0518 5.1566 5.1566 k = 0.0000 0.8908 0.5253 ( 9427 PWs) bands (ev): -17.9512 -17.9512 -17.9446 -17.9446 -17.9101 -17.9101 -17.8945 -17.8945 -14.3739 -14.3739 -14.3239 -14.3239 -14.3133 -14.3133 -14.2749 -14.2749 -8.1242 -8.1242 -8.0347 -8.0347 -8.0167 -8.0167 -7.9429 -7.9429 -7.0563 -7.0563 -7.0263 -7.0263 -6.8704 -6.8704 -6.8342 -6.8342 -5.7517 -5.7517 -5.7497 -5.7497 -5.4672 -5.4672 -5.3961 -5.3961 -4.0251 -4.0251 -3.9385 -3.9385 -3.9106 -3.9106 -3.8611 -3.8611 -3.5132 -3.5132 -3.4807 -3.4807 -3.4205 -3.4205 -3.3393 -3.3393 -3.2483 -3.2483 -3.1888 -3.1888 -3.0183 -3.0183 -3.0083 -3.0083 4.4221 4.4221 4.4429 4.4429 4.7701 4.7701 4.7766 4.7766 5.0583 5.0583 5.1583 5.1583 k = 0.0000 0.9170 0.5253 ( 9425 PWs) bands (ev): -17.9513 -17.9513 -17.9433 -17.9433 -17.9098 -17.9098 -17.8941 -17.8941 -14.3724 -14.3724 -14.3242 -14.3242 -14.3128 -14.3128 -14.2733 -14.2733 -8.1229 -8.1229 -8.0391 -8.0391 -8.0166 -8.0166 -7.9459 -7.9459 -7.0578 -7.0578 -7.0345 -7.0345 -6.8750 -6.8750 -6.8385 -6.8385 -5.7516 -5.7516 -5.7440 -5.7440 -5.4596 -5.4596 -5.4012 -5.4012 -4.0190 -4.0190 -3.9412 -3.9412 -3.9121 -3.9121 -3.8641 -3.8641 -3.5218 -3.5218 -3.4754 -3.4754 -3.4206 -3.4206 -3.3446 -3.3446 -3.2458 -3.2458 -3.1927 -3.1927 -3.0180 -3.0180 -3.0065 -3.0065 4.4242 4.4242 4.4386 4.4386 4.7674 4.7674 4.7713 4.7713 5.0636 5.0636 5.1587 5.1587 k = 0.0000 0.9432 0.5253 ( 9423 PWs) bands (ev): -17.9517 -17.9517 -17.9421 -17.9421 -17.9096 -17.9096 -17.8938 -17.8938 -14.3710 -14.3710 -14.3247 -14.3247 -14.3125 -14.3125 -14.2720 -14.2720 -8.1211 -8.1211 -8.0434 -8.0434 -8.0159 -8.0159 -7.9487 -7.9487 -7.0579 -7.0579 -7.0413 -7.0413 -6.8786 -6.8786 -6.8420 -6.8420 -5.7552 -5.7552 -5.7368 -5.7368 -5.4514 -5.4514 -5.4071 -5.4071 -4.0121 -4.0121 -3.9438 -3.9438 -3.9132 -3.9132 -3.8669 -3.8669 -3.5300 -3.5300 -3.4699 -3.4699 -3.4201 -3.4201 -3.3500 -3.3500 -3.2434 -3.2434 -3.1964 -3.1964 -3.0176 -3.0176 -3.0046 -3.0046 4.4272 4.4272 4.4348 4.4348 4.7592 4.7592 4.7719 4.7719 5.0677 5.0677 5.1579 5.1579 k = 0.0000 0.9432 0.5253 ( 9423 PWs) bands (ev): -17.9517 -17.9517 -17.9421 -17.9421 -17.9096 -17.9096 -17.8938 -17.8938 -14.3710 -14.3710 -14.3247 -14.3247 -14.3125 -14.3125 -14.2720 -14.2720 -8.1211 -8.1211 -8.0434 -8.0434 -8.0159 -8.0159 -7.9487 -7.9487 -7.0579 -7.0579 -7.0413 -7.0413 -6.8786 -6.8786 -6.8420 -6.8420 -5.7552 -5.7552 -5.7368 -5.7368 -5.4514 -5.4514 -5.4071 -5.4071 -4.0121 -4.0121 -3.9438 -3.9438 -3.9132 -3.9132 -3.8669 -3.8669 -3.5300 -3.5300 -3.4699 -3.4699 -3.4201 -3.4201 -3.3500 -3.3500 -3.2434 -3.2434 -3.1964 -3.1964 -3.0176 -3.0176 -3.0046 -3.0046 4.4272 4.4272 4.4348 4.4348 4.7592 4.7592 4.7719 4.7719 5.0677 5.0677 5.1579 5.1579 k = 0.0000 0.9509 0.5030 ( 9417 PWs) bands (ev): -17.9510 -17.9510 -17.9426 -17.9426 -17.9086 -17.9086 -17.8946 -17.8946 -14.3683 -14.3683 -14.3272 -14.3272 -14.3099 -14.3099 -14.2742 -14.2742 -8.1186 -8.1186 -8.0497 -8.0497 -8.0114 -8.0114 -7.9511 -7.9511 -7.0565 -7.0565 -7.0413 -7.0413 -6.8770 -6.8770 -6.8443 -6.8443 -5.7552 -5.7552 -5.7399 -5.7399 -5.4496 -5.4496 -5.4084 -5.4084 -4.0075 -4.0075 -3.9412 -3.9412 -3.9121 -3.9121 -3.8737 -3.8737 -3.5262 -3.5262 -3.4730 -3.4730 -3.4208 -3.4208 -3.3544 -3.3544 -3.2408 -3.2408 -3.2024 -3.2024 -3.0147 -3.0147 -3.0025 -3.0025 4.4375 4.4375 4.4467 4.4467 4.7535 4.7535 4.7646 4.7646 5.0705 5.0705 5.1502 5.1502 k = 0.0000 0.9586 0.4806 ( 9422 PWs) bands (ev): -17.9503 -17.9503 -17.9432 -17.9432 -17.9076 -17.9076 -17.8955 -17.8955 -14.3656 -14.3656 -14.3298 -14.3298 -14.3074 -14.3074 -14.2765 -14.2765 -8.1158 -8.1158 -8.0560 -8.0560 -8.0068 -8.0068 -7.9540 -7.9540 -7.0550 -7.0550 -7.0414 -7.0414 -6.8752 -6.8752 -6.8468 -6.8468 -5.7553 -5.7553 -5.7428 -5.7428 -5.4473 -5.4473 -5.4102 -5.4102 -4.0020 -4.0020 -3.9393 -3.9393 -3.9111 -3.9111 -3.8806 -3.8806 -3.5224 -3.5224 -3.4763 -3.4763 -3.4203 -3.4203 -3.3594 -3.3594 -3.2384 -3.2384 -3.2076 -3.2076 -3.0118 -3.0118 -3.0008 -3.0008 4.4479 4.4479 4.4578 4.4578 4.7475 4.7475 4.7572 4.7572 5.0737 5.0737 5.1424 5.1424 k = 0.0000 0.9663 0.4582 ( 9436 PWs) bands (ev): -17.9497 -17.9497 -17.9438 -17.9438 -17.9066 -17.9066 -17.8964 -17.8964 -14.3627 -14.3627 -14.3326 -14.3326 -14.3048 -14.3048 -14.2789 -14.2789 -8.1125 -8.1125 -8.0622 -8.0622 -8.0021 -8.0021 -7.9573 -7.9573 -7.0534 -7.0534 -7.0417 -7.0417 -6.8732 -6.8732 -6.8492 -6.8492 -5.7554 -5.7554 -5.7454 -5.7454 -5.4446 -5.4446 -5.4124 -5.4124 -3.9957 -3.9957 -3.9384 -3.9384 -3.9103 -3.9103 -3.8873 -3.8873 -3.5185 -3.5185 -3.4798 -3.4798 -3.4187 -3.4187 -3.3650 -3.3650 -3.2362 -3.2362 -3.2121 -3.2121 -3.0092 -3.0092 -2.9996 -2.9996 4.4579 4.4579 4.4680 4.4680 4.7416 4.7416 4.7501 4.7501 5.0772 5.0772 5.1348 5.1348 k = 0.0000 0.9740 0.4358 ( 9440 PWs) bands (ev): -17.9491 -17.9491 -17.9443 -17.9443 -17.9055 -17.9055 -17.8973 -17.8973 -14.3598 -14.3598 -14.3354 -14.3354 -14.3021 -14.3021 -14.2813 -14.2813 -8.1089 -8.1089 -8.0683 -8.0683 -7.9973 -7.9973 -7.9609 -7.9609 -7.0517 -7.0517 -7.0421 -7.0421 -6.8712 -6.8712 -6.8517 -6.8517 -5.7555 -5.7555 -5.7478 -5.7478 -5.4416 -5.4416 -5.4149 -5.4149 -3.9887 -3.9887 -3.9389 -3.9389 -3.9096 -3.9096 -3.8934 -3.8934 -3.5146 -3.5146 -3.4834 -3.4834 -3.4160 -3.4160 -3.3710 -3.3710 -3.2342 -3.2342 -3.2160 -3.2160 -3.0067 -3.0067 -2.9988 -2.9988 4.4672 4.4672 4.4767 4.4767 4.7362 4.7362 4.7434 4.7434 5.0811 5.0811 5.1273 5.1273 k = 0.0000 0.9817 0.4135 ( 9439 PWs) bands (ev): -17.9484 -17.9484 -17.9449 -17.9449 -17.9045 -17.9045 -17.8983 -17.8983 -14.3567 -14.3567 -14.3383 -14.3383 -14.2995 -14.2995 -14.2838 -14.2838 -8.1049 -8.1049 -8.0742 -8.0742 -7.9924 -7.9924 -7.9648 -7.9648 -7.0501 -7.0501 -7.0428 -7.0428 -6.8690 -6.8690 -6.8543 -6.8543 -5.7554 -5.7554 -5.7498 -5.7498 -5.4383 -5.4383 -5.4178 -5.4178 -3.9812 -3.9812 -3.9410 -3.9410 -3.9090 -3.9090 -3.8986 -3.8986 -3.5106 -3.5106 -3.4871 -3.4871 -3.4123 -3.4123 -3.3774 -3.3774 -3.2323 -3.2323 -3.2193 -3.2193 -3.0045 -3.0045 -2.9985 -2.9985 4.4756 4.4756 4.4836 4.4836 4.7316 4.7316 4.7374 4.7374 5.0854 5.0854 5.1202 5.1202 k = 0.0000 0.9895 0.3911 ( 9443 PWs) bands (ev): -17.9478 -17.9478 -17.9455 -17.9455 -17.9034 -17.9034 -17.8993 -17.8993 -14.3537 -14.3537 -14.3414 -14.3414 -14.2968 -14.2968 -14.2863 -14.2863 -8.1005 -8.1005 -8.0800 -8.0800 -7.9876 -7.9876 -7.9690 -7.9690 -7.0486 -7.0486 -7.0436 -7.0436 -6.8667 -6.8667 -6.8568 -6.8568 -5.7552 -5.7552 -5.7515 -5.7515 -5.4349 -5.4349 -5.4209 -5.4209 -3.9733 -3.9733 -3.9450 -3.9450 -3.9083 -3.9083 -3.9024 -3.9024 -3.5067 -3.5067 -3.4909 -3.4909 -3.4077 -3.4077 -3.3838 -3.3838 -3.2305 -3.2305 -3.2221 -3.2221 -3.0026 -3.0026 -2.9985 -2.9985 4.4825 4.4825 4.4883 4.4883 4.7283 4.7283 4.7324 4.7324 5.0901 5.0901 5.1133 5.1133 k = 0.0000 0.9972 0.3687 ( 9452 PWs) bands (ev): -17.9472 -17.9472 -17.9460 -17.9460 -17.9024 -17.9024 -17.9003 -17.9003 -14.3506 -14.3506 -14.3444 -14.3444 -14.2942 -14.2942 -14.2889 -14.2889 -8.0958 -8.0958 -8.0855 -8.0855 -7.9828 -7.9828 -7.9734 -7.9734 -7.0471 -7.0471 -7.0446 -7.0446 -6.8643 -6.8643 -6.8594 -6.8594 -5.7547 -5.7547 -5.7529 -5.7529 -5.4313 -5.4313 -5.4243 -5.4243 -3.9654 -3.9654 -3.9507 -3.9507 -3.9076 -3.9076 -3.9050 -3.9050 -3.5027 -3.5027 -3.4948 -3.4948 -3.4024 -3.4024 -3.3903 -3.3903 -3.2287 -3.2287 -3.2246 -3.2246 -3.0011 -3.0011 -2.9990 -2.9990 4.4875 4.4875 4.4906 4.4906 4.7267 4.7267 4.7288 4.7288 5.0953 5.0953 5.1069 5.1069 k = 0.0000 1.0049 0.3463 ( 9440 PWs) bands (ev): -17.9466 -17.9466 -17.9466 -17.9466 -17.9013 -17.9013 -17.9013 -17.9013 -14.3475 -14.3475 -14.3475 -14.3475 -14.2915 -14.2915 -14.2915 -14.2915 -8.0908 -8.0908 -8.0908 -8.0908 -7.9780 -7.9780 -7.9780 -7.9780 -7.0458 -7.0458 -7.0458 -7.0458 -6.8618 -6.8618 -6.8618 -6.8618 -5.7540 -5.7540 -5.7540 -5.7540 -5.4278 -5.4278 -5.4278 -5.4278 -3.9577 -3.9577 -3.9577 -3.9577 -3.9066 -3.9066 -3.9066 -3.9066 -3.4988 -3.4988 -3.4988 -3.4988 -3.3966 -3.3966 -3.3966 -3.3966 -3.2267 -3.2267 -3.2267 -3.2267 -2.9998 -2.9998 -2.9998 -2.9998 4.4903 4.4903 4.4903 4.4903 4.7269 4.7269 4.7269 4.7269 5.1008 5.1008 5.1008 5.1008 k = 0.0000 1.0049 0.3463 ( 9440 PWs) bands (ev): -17.9466 -17.9466 -17.9466 -17.9466 -17.9013 -17.9013 -17.9013 -17.9013 -14.3475 -14.3475 -14.3475 -14.3475 -14.2915 -14.2915 -14.2915 -14.2915 -8.0908 -8.0908 -8.0908 -8.0908 -7.9780 -7.9780 -7.9780 -7.9780 -7.0458 -7.0458 -7.0458 -7.0458 -6.8618 -6.8618 -6.8618 -6.8618 -5.7540 -5.7540 -5.7540 -5.7540 -5.4278 -5.4278 -5.4278 -5.4278 -3.9577 -3.9577 -3.9577 -3.9577 -3.9066 -3.9066 -3.9066 -3.9066 -3.4988 -3.4988 -3.4988 -3.4988 -3.3966 -3.3966 -3.3966 -3.3966 -3.2267 -3.2267 -3.2267 -3.2267 -2.9998 -2.9998 -2.9998 -2.9998 4.4903 4.4903 4.4903 4.4903 4.7269 4.7269 4.7269 4.7269 5.1008 5.1008 5.1008 5.1008 k = 0.0250 1.0049 0.3463 ( 9442 PWs) bands (ev): -17.9466 -17.9466 -17.9466 -17.9466 -17.9013 -17.9013 -17.9013 -17.9013 -14.3474 -14.3474 -14.3474 -14.3474 -14.2916 -14.2916 -14.2916 -14.2916 -8.0907 -8.0907 -8.0907 -8.0907 -7.9781 -7.9781 -7.9781 -7.9781 -7.0457 -7.0457 -7.0457 -7.0457 -6.8621 -6.8621 -6.8620 -6.8620 -5.7535 -5.7535 -5.7535 -5.7535 -5.4283 -5.4283 -5.4282 -5.4282 -3.9575 -3.9575 -3.9575 -3.9575 -3.9066 -3.9066 -3.9065 -3.9065 -3.4989 -3.4989 -3.4987 -3.4987 -3.3967 -3.3967 -3.3967 -3.3967 -3.2270 -3.2270 -3.2268 -3.2268 -2.9998 -2.9998 -2.9994 -2.9994 4.4906 4.4906 4.4907 4.4907 4.7273 4.7273 4.7274 4.7274 5.1004 5.1004 5.1004 5.1004 k = 0.0500 1.0049 0.3463 ( 9434 PWs) bands (ev): -17.9466 -17.9466 -17.9466 -17.9466 -17.9014 -17.9014 -17.9014 -17.9014 -14.3472 -14.3472 -14.3472 -14.3472 -14.2919 -14.2919 -14.2919 -14.2919 -8.0905 -8.0905 -8.0905 -8.0905 -7.9781 -7.9781 -7.9781 -7.9781 -7.0455 -7.0455 -7.0455 -7.0455 -6.8627 -6.8627 -6.8626 -6.8626 -5.7521 -5.7521 -5.7520 -5.7520 -5.4297 -5.4297 -5.4296 -5.4296 -3.9570 -3.9570 -3.9569 -3.9569 -3.9066 -3.9066 -3.9065 -3.9065 -3.4992 -3.4992 -3.4986 -3.4986 -3.3972 -3.3972 -3.3971 -3.3971 -3.2276 -3.2276 -3.2273 -3.2273 -2.9995 -2.9995 -2.9987 -2.9987 4.4917 4.4917 4.4918 4.4918 4.7287 4.7287 4.7289 4.7289 5.0991 5.0991 5.0992 5.0992 k = 0.0750 1.0049 0.3463 ( 9424 PWs) bands (ev): -17.9466 -17.9466 -17.9466 -17.9466 -17.9014 -17.9014 -17.9014 -17.9014 -14.3467 -14.3467 -14.3467 -14.3467 -14.2923 -14.2923 -14.2923 -14.2923 -8.0901 -8.0901 -8.0901 -8.0901 -7.9782 -7.9782 -7.9782 -7.9782 -7.0451 -7.0451 -7.0450 -7.0450 -6.8637 -6.8637 -6.8636 -6.8636 -5.7497 -5.7497 -5.7496 -5.7496 -5.4320 -5.4320 -5.4319 -5.4319 -3.9561 -3.9561 -3.9559 -3.9559 -3.9066 -3.9066 -3.9064 -3.9064 -3.4995 -3.4995 -3.4987 -3.4987 -3.3980 -3.3980 -3.3978 -3.3978 -3.2286 -3.2286 -3.2282 -3.2282 -2.9989 -2.9989 -2.9977 -2.9977 4.4934 4.4934 4.4935 4.4935 4.7310 4.7310 4.7314 4.7314 5.0970 5.0970 5.0971 5.0971 k = 0.1000 1.0049 0.3463 ( 9420 PWs) bands (ev): -17.9465 -17.9465 -17.9465 -17.9465 -17.9014 -17.9014 -17.9014 -17.9014 -14.3461 -14.3461 -14.3461 -14.3461 -14.2929 -14.2929 -14.2929 -14.2929 -8.0896 -8.0896 -8.0896 -8.0896 -7.9784 -7.9784 -7.9783 -7.9783 -7.0445 -7.0445 -7.0444 -7.0444 -6.8650 -6.8650 -6.8649 -6.8649 -5.7464 -5.7464 -5.7462 -5.7462 -5.4353 -5.4353 -5.4352 -5.4352 -3.9548 -3.9548 -3.9546 -3.9546 -3.9065 -3.9065 -3.9062 -3.9062 -3.4998 -3.4998 -3.4987 -3.4987 -3.3992 -3.3992 -3.3988 -3.3988 -3.2299 -3.2299 -3.2294 -3.2294 -2.9979 -2.9979 -2.9964 -2.9964 4.4957 4.4957 4.4960 4.4960 4.7343 4.7343 4.7348 4.7348 5.0939 5.0939 5.0941 5.0941 k = 0.1250 1.0049 0.3463 ( 9420 PWs) bands (ev): -17.9465 -17.9465 -17.9465 -17.9465 -17.9015 -17.9015 -17.9015 -17.9015 -14.3454 -14.3454 -14.3454 -14.3454 -14.2937 -14.2937 -14.2937 -14.2937 -8.0890 -8.0890 -8.0890 -8.0890 -7.9785 -7.9785 -7.9785 -7.9785 -7.0438 -7.0438 -7.0437 -7.0437 -6.8667 -6.8667 -6.8665 -6.8665 -5.7422 -5.7422 -5.7420 -5.7420 -5.4395 -5.4395 -5.4393 -5.4393 -3.9533 -3.9533 -3.9530 -3.9530 -3.9064 -3.9064 -3.9061 -3.9061 -3.5001 -3.5001 -3.4988 -3.4988 -3.4008 -3.4008 -3.4002 -3.4002 -3.2314 -3.2314 -3.2308 -3.2308 -2.9967 -2.9967 -2.9948 -2.9948 4.4987 4.4987 4.4990 4.4990 4.7384 4.7384 4.7390 4.7390 5.0900 5.0900 5.0901 5.0901 k = 0.1500 1.0049 0.3463 ( 9414 PWs) bands (ev): -17.9464 -17.9464 -17.9464 -17.9464 -17.9015 -17.9015 -17.9015 -17.9015 -14.3445 -14.3445 -14.3445 -14.3445 -14.2946 -14.2946 -14.2946 -14.2946 -8.0883 -8.0883 -8.0882 -8.0882 -7.9788 -7.9788 -7.9787 -7.9787 -7.0429 -7.0429 -7.0428 -7.0428 -6.8687 -6.8687 -6.8685 -6.8685 -5.7370 -5.7370 -5.7368 -5.7368 -5.4445 -5.4445 -5.4443 -5.4443 -3.9514 -3.9514 -3.9511 -3.9511 -3.9063 -3.9063 -3.9059 -3.9059 -3.5004 -3.5004 -3.4989 -3.4989 -3.4027 -3.4027 -3.4020 -3.4020 -3.2330 -3.2330 -3.2324 -3.2324 -2.9953 -2.9953 -2.9931 -2.9931 4.5022 4.5022 4.5026 4.5026 4.7434 4.7434 4.7441 4.7441 5.0852 5.0852 5.0853 5.0853 k = 0.1750 1.0049 0.3463 ( 9412 PWs) bands (ev): -17.9463 -17.9463 -17.9463 -17.9463 -17.9016 -17.9016 -17.9016 -17.9016 -14.3435 -14.3435 -14.3435 -14.3435 -14.2957 -14.2957 -14.2957 -14.2957 -8.0874 -8.0874 -8.0874 -8.0874 -7.9790 -7.9790 -7.9790 -7.9790 -7.0419 -7.0419 -7.0418 -7.0418 -6.8710 -6.8710 -6.8708 -6.8708 -5.7311 -5.7311 -5.7308 -5.7308 -5.4504 -5.4504 -5.4502 -5.4502 -3.9493 -3.9493 -3.9489 -3.9489 -3.9062 -3.9062 -3.9057 -3.9057 -3.5005 -3.5005 -3.4989 -3.4989 -3.4051 -3.4051 -3.4042 -3.4042 -3.2346 -3.2346 -3.2341 -3.2341 -2.9937 -2.9937 -2.9912 -2.9912 4.5062 4.5062 4.5066 4.5066 4.7492 4.7492 4.7500 4.7500 5.0795 5.0795 5.0796 5.0796 k = 0.2000 1.0049 0.3463 ( 9426 PWs) bands (ev): -17.9463 -17.9463 -17.9463 -17.9463 -17.9017 -17.9017 -17.9017 -17.9017 -14.3423 -14.3423 -14.3423 -14.3423 -14.2970 -14.2970 -14.2970 -14.2970 -8.0865 -8.0865 -8.0865 -8.0865 -7.9793 -7.9793 -7.9792 -7.9792 -7.0408 -7.0408 -7.0406 -7.0406 -6.8735 -6.8735 -6.8733 -6.8733 -5.7243 -5.7243 -5.7240 -5.7240 -5.4571 -5.4571 -5.4569 -5.4569 -3.9470 -3.9470 -3.9466 -3.9466 -3.9061 -3.9061 -3.9055 -3.9055 -3.5006 -3.5006 -3.4987 -3.4987 -3.4080 -3.4080 -3.4068 -3.4068 -3.2363 -3.2363 -3.2358 -3.2358 -2.9920 -2.9920 -2.9892 -2.9892 4.5106 4.5106 4.5110 4.5110 4.7556 4.7556 4.7565 4.7565 5.0729 5.0729 5.0731 5.0731 k = 0.2250 1.0049 0.3463 ( 9422 PWs) bands (ev): -17.9462 -17.9462 -17.9462 -17.9462 -17.9018 -17.9018 -17.9018 -17.9018 -14.3410 -14.3410 -14.3410 -14.3410 -14.2984 -14.2984 -14.2984 -14.2984 -8.0856 -8.0856 -8.0855 -8.0855 -7.9796 -7.9796 -7.9795 -7.9795 -7.0395 -7.0395 -7.0394 -7.0394 -6.8762 -6.8762 -6.8759 -6.8759 -5.7167 -5.7167 -5.7164 -5.7164 -5.4646 -5.4646 -5.4643 -5.4643 -3.9445 -3.9445 -3.9440 -3.9440 -3.9059 -3.9059 -3.9053 -3.9053 -3.5005 -3.5005 -3.4984 -3.4984 -3.4113 -3.4113 -3.4098 -3.4098 -3.2378 -3.2378 -3.2374 -3.2374 -2.9902 -2.9902 -2.9872 -2.9872 4.5153 4.5153 4.5158 4.5158 4.7627 4.7627 4.7637 4.7637 5.0655 5.0655 5.0657 5.0657 k = 0.2500 1.0049 0.3463 ( 9420 PWs) bands (ev): -17.9461 -17.9461 -17.9461 -17.9461 -17.9019 -17.9019 -17.9019 -17.9019 -14.3395 -14.3395 -14.3395 -14.3395 -14.2999 -14.2999 -14.2999 -14.2999 -8.0846 -8.0846 -8.0845 -8.0845 -7.9799 -7.9799 -7.9798 -7.9798 -7.0382 -7.0382 -7.0380 -7.0380 -6.8790 -6.8790 -6.8787 -6.8787 -5.7085 -5.7085 -5.7081 -5.7081 -5.4728 -5.4728 -5.4724 -5.4724 -3.9420 -3.9420 -3.9414 -3.9414 -3.9057 -3.9057 -3.9051 -3.9051 -3.5001 -3.5001 -3.4979 -3.4979 -3.4151 -3.4151 -3.4133 -3.4133 -3.2392 -3.2392 -3.2390 -3.2390 -2.9884 -2.9884 -2.9853 -2.9853 4.5201 4.5201 4.5207 4.5207 4.7702 4.7702 4.7714 4.7714 5.0575 5.0575 5.0577 5.0577 k = 0.2750 1.0049 0.3463 ( 9420 PWs) bands (ev): -17.9460 -17.9460 -17.9460 -17.9460 -17.9019 -17.9019 -17.9019 -17.9019 -14.3379 -14.3379 -14.3379 -14.3379 -14.3015 -14.3015 -14.3015 -14.3015 -8.0836 -8.0836 -8.0835 -8.0835 -7.9802 -7.9802 -7.9801 -7.9801 -7.0368 -7.0368 -7.0366 -7.0366 -6.8819 -6.8819 -6.8815 -6.8815 -5.6996 -5.6996 -5.6992 -5.6992 -5.4816 -5.4816 -5.4812 -5.4812 -3.9394 -3.9394 -3.9387 -3.9387 -3.9056 -3.9056 -3.9049 -3.9049 -3.4995 -3.4995 -3.4972 -3.4972 -3.4193 -3.4193 -3.4172 -3.4172 -3.2404 -3.2404 -3.2403 -3.2403 -2.9867 -2.9867 -2.9834 -2.9834 4.5251 4.5251 4.5256 4.5256 4.7782 4.7782 4.7795 4.7795 5.0488 5.0488 5.0491 5.0491 k = 0.3000 1.0049 0.3463 ( 9422 PWs) bands (ev): -17.9459 -17.9459 -17.9459 -17.9459 -17.9020 -17.9020 -17.9020 -17.9020 -14.3362 -14.3362 -14.3362 -14.3362 -14.3033 -14.3033 -14.3033 -14.3033 -8.0826 -8.0826 -8.0825 -8.0825 -7.9805 -7.9805 -7.9805 -7.9805 -7.0353 -7.0353 -7.0352 -7.0352 -6.8848 -6.8848 -6.8844 -6.8844 -5.6902 -5.6902 -5.6898 -5.6898 -5.4909 -5.4909 -5.4906 -5.4906 -3.9368 -3.9368 -3.9361 -3.9361 -3.9055 -3.9055 -3.9047 -3.9047 -3.4986 -3.4986 -3.4962 -3.4962 -3.4237 -3.4237 -3.4214 -3.4214 -3.2415 -3.2415 -3.2415 -3.2415 -2.9851 -2.9851 -2.9816 -2.9816 4.5299 4.5299 4.5306 4.5306 4.7865 4.7865 4.7879 4.7879 5.0398 5.0398 5.0401 5.0401 k = 0.3250 1.0049 0.3463 ( 9428 PWs) bands (ev): -17.9458 -17.9458 -17.9458 -17.9458 -17.9021 -17.9021 -17.9021 -17.9021 -14.3344 -14.3344 -14.3344 -14.3344 -14.3051 -14.3051 -14.3051 -14.3051 -8.0816 -8.0816 -8.0816 -8.0816 -7.9808 -7.9808 -7.9808 -7.9808 -7.0339 -7.0339 -7.0338 -7.0338 -6.8875 -6.8875 -6.8871 -6.8871 -5.6803 -5.6803 -5.6798 -5.6798 -5.5008 -5.5008 -5.5004 -5.5004 -3.9342 -3.9342 -3.9335 -3.9335 -3.9054 -3.9054 -3.9046 -3.9046 -3.4973 -3.4973 -3.4950 -3.4950 -3.4285 -3.4285 -3.4258 -3.4258 -3.2425 -3.2425 -3.2423 -3.2423 -2.9836 -2.9836 -2.9800 -2.9800 4.5346 4.5346 4.5353 4.5353 4.7948 4.7948 4.7964 4.7964 5.0305 5.0305 5.0309 5.0309 k = 0.3500 1.0049 0.3463 ( 9428 PWs) bands (ev): -17.9458 -17.9458 -17.9458 -17.9458 -17.9022 -17.9022 -17.9022 -17.9022 -14.3325 -14.3325 -14.3325 -14.3325 -14.3071 -14.3071 -14.3071 -14.3071 -8.0808 -8.0808 -8.0807 -8.0807 -7.9811 -7.9811 -7.9811 -7.9811 -7.0326 -7.0326 -7.0324 -7.0324 -6.8902 -6.8902 -6.8898 -6.8898 -5.6700 -5.6700 -5.6696 -5.6696 -5.5109 -5.5109 -5.5106 -5.5106 -3.9319 -3.9319 -3.9310 -3.9310 -3.9053 -3.9053 -3.9045 -3.9045 -3.4958 -3.4958 -3.4934 -3.4934 -3.4334 -3.4334 -3.4303 -3.4303 -3.2433 -3.2433 -3.2430 -3.2430 -2.9822 -2.9822 -2.9785 -2.9785 4.5391 4.5391 4.5397 4.5397 4.8031 4.8031 4.8048 4.8048 5.0213 5.0213 5.0217 5.0217 k = 0.3750 1.0049 0.3463 ( 9424 PWs) bands (ev): -17.9457 -17.9457 -17.9457 -17.9457 -17.9022 -17.9022 -17.9022 -17.9022 -14.3305 -14.3305 -14.3305 -14.3305 -14.3091 -14.3091 -14.3091 -14.3091 -8.0800 -8.0800 -8.0799 -8.0799 -7.9814 -7.9814 -7.9813 -7.9813 -7.0313 -7.0313 -7.0311 -7.0311 -6.8926 -6.8926 -6.8921 -6.8921 -5.6596 -5.6596 -5.6591 -5.6591 -5.5213 -5.5213 -5.5209 -5.5209 -3.9297 -3.9297 -3.9288 -3.9288 -3.9053 -3.9053 -3.9045 -3.9045 -3.4940 -3.4940 -3.4916 -3.4916 -3.4382 -3.4382 -3.4349 -3.4349 -3.2440 -3.2440 -3.2435 -3.2435 -2.9810 -2.9810 -2.9772 -2.9772 4.5430 4.5430 4.5438 4.5438 4.8110 4.8110 4.8129 4.8129 5.0124 5.0124 5.0129 5.0129 k = 0.4000 1.0049 0.3463 ( 9416 PWs) bands (ev): -17.9456 -17.9456 -17.9456 -17.9456 -17.9023 -17.9023 -17.9023 -17.9023 -14.3285 -14.3285 -14.3285 -14.3285 -14.3111 -14.3111 -14.3111 -14.3111 -8.0793 -8.0793 -8.0792 -8.0792 -7.9816 -7.9816 -7.9815 -7.9815 -7.0302 -7.0302 -7.0300 -7.0300 -6.8946 -6.8946 -6.8942 -6.8942 -5.6493 -5.6493 -5.6488 -5.6488 -5.5316 -5.5316 -5.5312 -5.5312 -3.9278 -3.9278 -3.9268 -3.9268 -3.9053 -3.9053 -3.9045 -3.9045 -3.4920 -3.4920 -3.4897 -3.4897 -3.4429 -3.4429 -3.4392 -3.4392 -3.2445 -3.2445 -3.2439 -3.2439 -2.9800 -2.9800 -2.9761 -2.9761 4.5465 4.5465 4.5472 4.5472 4.8183 4.8183 4.8204 4.8204 5.0042 5.0042 5.0048 5.0048 k = 0.4250 1.0049 0.3463 ( 9424 PWs) bands (ev): -17.9456 -17.9456 -17.9456 -17.9456 -17.9023 -17.9023 -17.9023 -17.9023 -14.3264 -14.3264 -14.3264 -14.3264 -14.3133 -14.3133 -14.3133 -14.3133 -8.0788 -8.0788 -8.0787 -8.0787 -7.9818 -7.9818 -7.9817 -7.9817 -7.0292 -7.0292 -7.0291 -7.0291 -6.8964 -6.8964 -6.8959 -6.8959 -5.6394 -5.6394 -5.6389 -5.6389 -5.5414 -5.5414 -5.5411 -5.5411 -3.9262 -3.9262 -3.9252 -3.9252 -3.9054 -3.9054 -3.9045 -3.9045 -3.4899 -3.4899 -3.4877 -3.4877 -3.4472 -3.4472 -3.4432 -3.4432 -3.2448 -3.2448 -3.2442 -3.2442 -2.9791 -2.9791 -2.9752 -2.9752 4.5493 4.5493 4.5500 4.5500 4.8247 4.8247 4.8269 4.8269 4.9971 4.9971 4.9977 4.9977 k = 0.4500 1.0049 0.3463 ( 9424 PWs) bands (ev): -17.9456 -17.9456 -17.9456 -17.9456 -17.9024 -17.9024 -17.9024 -17.9024 -14.3243 -14.3243 -14.3243 -14.3243 -14.3154 -14.3154 -14.3154 -14.3154 -8.0783 -8.0783 -8.0783 -8.0783 -7.9820 -7.9820 -7.9819 -7.9819 -7.0285 -7.0285 -7.0284 -7.0284 -6.8976 -6.8976 -6.8971 -6.8971 -5.6306 -5.6306 -5.6301 -5.6301 -5.5502 -5.5502 -5.5498 -5.5498 -3.9250 -3.9250 -3.9240 -3.9240 -3.9054 -3.9054 -3.9046 -3.9046 -3.4879 -3.4879 -3.4859 -3.4859 -3.4507 -3.4507 -3.4465 -3.4465 -3.2451 -3.2451 -3.2444 -3.2444 -2.9786 -2.9786 -2.9746 -2.9746 4.5514 4.5514 4.5521 4.5521 4.8297 4.8297 4.8320 4.8320 4.9915 4.9915 4.9922 4.9922 k = 0.4750 1.0049 0.3463 ( 9430 PWs) bands (ev): -17.9456 -17.9456 -17.9456 -17.9456 -17.9024 -17.9024 -17.9024 -17.9024 -14.3222 -14.3222 -14.3222 -14.3222 -14.3175 -14.3175 -14.3175 -14.3175 -8.0781 -8.0781 -8.0780 -8.0780 -7.9821 -7.9821 -7.9820 -7.9820 -7.0281 -7.0281 -7.0279 -7.0279 -6.8984 -6.8984 -6.8979 -6.8979 -5.6242 -5.6242 -5.6236 -5.6236 -5.5566 -5.5566 -5.5563 -5.5563 -3.9243 -3.9243 -3.9232 -3.9232 -3.9055 -3.9055 -3.9046 -3.9046 -3.4865 -3.4865 -3.4847 -3.4847 -3.4532 -3.4532 -3.4487 -3.4487 -3.2452 -3.2452 -3.2445 -3.2445 -2.9782 -2.9782 -2.9743 -2.9743 4.5526 4.5526 4.5534 4.5534 4.8329 4.8329 4.8353 4.8353 4.9879 4.9879 4.9887 4.9887 k = 0.5000 1.0049 0.3463 ( 9432 PWs) bands (ev): -17.9456 -17.9456 -17.9455 -17.9455 -17.9024 -17.9024 -17.9024 -17.9024 -14.3207 -14.3207 -14.3207 -14.3207 -14.3191 -14.3191 -14.3191 -14.3191 -8.0780 -8.0780 -8.0780 -8.0780 -7.9821 -7.9821 -7.9820 -7.9820 -7.0279 -7.0279 -7.0278 -7.0278 -6.8987 -6.8987 -6.8982 -6.8982 -5.6217 -5.6217 -5.6211 -5.6211 -5.5591 -5.5591 -5.5587 -5.5587 -3.9240 -3.9240 -3.9230 -3.9230 -3.9055 -3.9055 -3.9046 -3.9046 -3.4859 -3.4859 -3.4842 -3.4842 -3.4540 -3.4540 -3.4494 -3.4494 -3.2453 -3.2453 -3.2445 -3.2445 -2.9781 -2.9781 -2.9741 -2.9741 4.5530 4.5530 4.5538 4.5538 4.8340 4.8340 4.8364 4.8364 4.9866 4.9866 4.9875 4.9875 k = 0.5000 1.0049 0.3463 ( 9432 PWs) bands (ev): -17.9456 -17.9456 -17.9455 -17.9455 -17.9024 -17.9024 -17.9024 -17.9024 -14.3207 -14.3207 -14.3207 -14.3207 -14.3191 -14.3191 -14.3191 -14.3191 -8.0780 -8.0780 -8.0780 -8.0780 -7.9821 -7.9821 -7.9820 -7.9820 -7.0279 -7.0279 -7.0278 -7.0278 -6.8987 -6.8987 -6.8982 -6.8982 -5.6217 -5.6217 -5.6211 -5.6211 -5.5591 -5.5591 -5.5587 -5.5587 -3.9240 -3.9240 -3.9230 -3.9230 -3.9055 -3.9055 -3.9046 -3.9046 -3.4859 -3.4859 -3.4842 -3.4842 -3.4540 -3.4540 -3.4494 -3.4494 -3.2453 -3.2453 -3.2445 -3.2445 -2.9781 -2.9781 -2.9741 -2.9741 4.5530 4.5530 4.5538 4.5538 4.8340 4.8340 4.8364 4.8364 4.9866 4.9866 4.9875 4.9875 k = 0.5000 1.0126 0.3240 ( 9432 PWs) bands (ev): -17.9456 -17.9456 -17.9456 -17.9456 -17.9024 -17.9024 -17.9024 -17.9024 -14.3229 -14.3229 -14.3229 -14.3229 -14.3169 -14.3169 -14.3169 -14.3169 -8.0781 -8.0781 -8.0780 -8.0780 -7.9819 -7.9819 -7.9818 -7.9818 -7.0279 -7.0279 -7.0278 -7.0278 -6.8988 -6.8988 -6.8983 -6.8983 -5.6214 -5.6214 -5.6208 -5.6208 -5.5592 -5.5592 -5.5589 -5.5589 -3.9243 -3.9243 -3.9233 -3.9233 -3.9052 -3.9052 -3.9044 -3.9044 -3.4861 -3.4861 -3.4843 -3.4843 -3.4540 -3.4540 -3.4494 -3.4494 -3.2451 -3.2451 -3.2443 -3.2443 -2.9782 -2.9782 -2.9742 -2.9742 4.5527 4.5527 4.5534 4.5534 4.8330 4.8330 4.8354 4.8354 4.9880 4.9880 4.9889 4.9889 k = 0.5000 1.0203 0.3016 ( 9430 PWs) bands (ev): -17.9456 -17.9456 -17.9456 -17.9456 -17.9024 -17.9024 -17.9024 -17.9024 -14.3257 -14.3257 -14.3257 -14.3257 -14.3141 -14.3141 -14.3141 -14.3141 -8.0783 -8.0783 -8.0783 -8.0783 -7.9815 -7.9815 -7.9814 -7.9814 -7.0279 -7.0279 -7.0277 -7.0277 -6.8990 -6.8990 -6.8985 -6.8985 -5.6205 -5.6205 -5.6199 -5.6199 -5.5597 -5.5597 -5.5594 -5.5594 -3.9251 -3.9251 -3.9243 -3.9243 -3.9043 -3.9043 -3.9037 -3.9037 -3.4864 -3.4864 -3.4847 -3.4847 -3.4537 -3.4537 -3.4492 -3.4492 -3.2445 -3.2445 -3.2436 -3.2436 -2.9785 -2.9785 -2.9745 -2.9745 4.5515 4.5515 4.5523 4.5523 4.8301 4.8301 4.8325 4.8325 4.9920 4.9920 4.9928 4.9928 k = 0.5000 1.0280 0.2792 ( 9430 PWs) bands (ev): -17.9457 -17.9457 -17.9457 -17.9457 -17.9023 -17.9023 -17.9023 -17.9023 -14.3286 -14.3286 -14.3286 -14.3286 -14.3113 -14.3113 -14.3113 -14.3113 -8.0787 -8.0787 -8.0786 -8.0786 -7.9808 -7.9808 -7.9807 -7.9807 -7.0278 -7.0278 -7.0276 -7.0276 -6.8995 -6.8995 -6.8990 -6.8990 -5.6190 -5.6190 -5.6184 -5.6184 -5.5605 -5.5605 -5.5602 -5.5602 -3.9263 -3.9263 -3.9258 -3.9258 -3.9029 -3.9029 -3.9026 -3.9026 -3.4870 -3.4870 -3.4853 -3.4853 -3.4534 -3.4534 -3.4490 -3.4490 -3.2435 -3.2435 -3.2426 -3.2426 -2.9790 -2.9790 -2.9750 -2.9750 4.5496 4.5496 4.5504 4.5504 4.8259 4.8259 4.8283 4.8283 4.9981 4.9981 4.9989 4.9989 k = 0.5000 1.0357 0.2568 ( 9430 PWs) bands (ev): -17.9459 -17.9459 -17.9458 -17.9458 -17.9023 -17.9023 -17.9023 -17.9023 -14.3315 -14.3315 -14.3315 -14.3315 -14.3086 -14.3086 -14.3086 -14.3086 -8.0791 -8.0791 -8.0791 -8.0791 -7.9799 -7.9799 -7.9798 -7.9798 -7.0276 -7.0276 -7.0274 -7.0274 -6.9001 -6.9001 -6.8996 -6.8996 -5.6170 -5.6170 -5.6164 -5.6164 -5.5616 -5.5616 -5.5613 -5.5613 -3.9279 -3.9279 -3.9276 -3.9276 -3.9013 -3.9013 -3.9012 -3.9012 -3.4877 -3.4877 -3.4861 -3.4861 -3.4529 -3.4529 -3.4487 -3.4487 -3.2421 -3.2421 -3.2411 -3.2411 -2.9797 -2.9797 -2.9757 -2.9757 4.5469 4.5469 4.5477 4.5477 4.8207 4.8207 4.8231 4.8231 5.0059 5.0059 5.0066 5.0066 k = 0.5000 1.0434 0.2345 ( 9434 PWs) bands (ev): -17.9460 -17.9460 -17.9460 -17.9460 -17.9022 -17.9022 -17.9022 -17.9022 -14.3343 -14.3343 -14.3343 -14.3343 -14.3059 -14.3059 -14.3059 -14.3059 -8.0797 -8.0797 -8.0796 -8.0796 -7.9787 -7.9787 -7.9787 -7.9787 -7.0273 -7.0273 -7.0272 -7.0272 -6.9009 -6.9009 -6.9004 -6.9004 -5.6144 -5.6144 -5.6138 -5.6138 -5.5631 -5.5631 -5.5627 -5.5627 -3.9297 -3.9297 -3.9297 -3.9297 -3.8996 -3.8996 -3.8994 -3.8994 -3.4887 -3.4887 -3.4871 -3.4871 -3.4523 -3.4523 -3.4483 -3.4483 -3.2404 -3.2404 -3.2393 -3.2393 -2.9805 -2.9805 -2.9766 -2.9766 4.5435 4.5435 4.5442 4.5442 4.8151 4.8151 4.8175 4.8175 5.0147 5.0147 5.0154 5.0154 k = 0.5000 1.0511 0.2121 ( 9436 PWs) bands (ev): -17.9462 -17.9462 -17.9462 -17.9462 -17.9021 -17.9021 -17.9021 -17.9021 -14.3370 -14.3370 -14.3370 -14.3370 -14.3033 -14.3033 -14.3033 -14.3033 -8.0803 -8.0803 -8.0802 -8.0802 -7.9774 -7.9774 -7.9774 -7.9774 -7.0270 -7.0270 -7.0268 -7.0268 -6.9018 -6.9018 -6.9013 -6.9013 -5.6113 -5.6113 -5.6107 -5.6107 -5.5648 -5.5648 -5.5645 -5.5645 -3.9320 -3.9320 -3.9318 -3.9318 -3.8977 -3.8977 -3.8973 -3.8973 -3.4898 -3.4898 -3.4883 -3.4883 -3.4516 -3.4516 -3.4478 -3.4478 -3.2383 -3.2383 -3.2371 -3.2371 -2.9816 -2.9816 -2.9777 -2.9777 4.5393 4.5393 4.5400 4.5400 4.8096 4.8096 4.8120 4.8120 5.0241 5.0241 5.0246 5.0246 k = 0.5000 1.0589 0.1897 ( 9442 PWs) bands (ev): -17.9465 -17.9465 -17.9465 -17.9465 -17.9020 -17.9020 -17.9020 -17.9020 -14.3397 -14.3397 -14.3397 -14.3397 -14.3008 -14.3008 -14.3008 -14.3008 -8.0808 -8.0808 -8.0808 -8.0808 -7.9761 -7.9761 -7.9760 -7.9760 -7.0265 -7.0265 -7.0264 -7.0264 -6.9028 -6.9028 -6.9024 -6.9024 -5.6077 -5.6077 -5.6071 -5.6071 -5.5669 -5.5669 -5.5666 -5.5666 -3.9344 -3.9344 -3.9340 -3.9340 -3.8957 -3.8957 -3.8951 -3.8951 -3.4911 -3.4911 -3.4895 -3.4895 -3.4508 -3.4508 -3.4473 -3.4473 -3.2359 -3.2359 -3.2346 -3.2346 -2.9828 -2.9828 -2.9790 -2.9790 4.5344 4.5344 4.5351 4.5351 4.8044 4.8044 4.8068 4.8068 5.0335 5.0335 5.0340 5.0340 k = 0.5000 1.0666 0.1673 ( 9440 PWs) bands (ev): -17.9467 -17.9467 -17.9467 -17.9467 -17.9019 -17.9019 -17.9019 -17.9019 -14.3423 -14.3423 -14.3423 -14.3423 -14.2985 -14.2985 -14.2985 -14.2985 -8.0814 -8.0814 -8.0813 -8.0813 -7.9746 -7.9746 -7.9745 -7.9745 -7.0259 -7.0259 -7.0257 -7.0257 -6.9040 -6.9040 -6.9036 -6.9036 -5.6037 -5.6037 -5.6031 -5.6031 -5.5693 -5.5693 -5.5689 -5.5689 -3.9368 -3.9368 -3.9363 -3.9363 -3.8936 -3.8936 -3.8928 -3.8928 -3.4925 -3.4925 -3.4910 -3.4910 -3.4499 -3.4499 -3.4466 -3.4466 -3.2333 -3.2333 -3.2318 -3.2318 -2.9843 -2.9843 -2.9805 -2.9805 4.5290 4.5290 4.5296 4.5296 4.7999 4.7999 4.8021 4.8021 5.0428 5.0428 5.0431 5.0431 k = 0.5000 1.0666 0.1673 ( 9440 PWs) bands (ev): -17.9467 -17.9467 -17.9467 -17.9467 -17.9019 -17.9019 -17.9019 -17.9019 -14.3423 -14.3423 -14.3423 -14.3423 -14.2985 -14.2985 -14.2985 -14.2985 -8.0814 -8.0814 -8.0813 -8.0813 -7.9746 -7.9746 -7.9745 -7.9745 -7.0259 -7.0259 -7.0257 -7.0257 -6.9040 -6.9040 -6.9036 -6.9036 -5.6037 -5.6037 -5.6031 -5.6031 -5.5693 -5.5693 -5.5689 -5.5689 -3.9368 -3.9368 -3.9363 -3.9363 -3.8936 -3.8936 -3.8928 -3.8928 -3.4925 -3.4925 -3.4910 -3.4910 -3.4499 -3.4499 -3.4466 -3.4466 -3.2333 -3.2333 -3.2318 -3.2318 -2.9843 -2.9843 -2.9805 -2.9805 4.5290 4.5290 4.5296 4.5296 4.7999 4.7999 4.8021 4.8021 5.0428 5.0428 5.0431 5.0431 k = 0.5000 1.0622 0.1426 ( 9434 PWs) bands (ev): -17.9469 -17.9469 -17.9469 -17.9469 -17.9016 -17.9016 -17.9016 -17.9016 -14.3447 -14.3447 -14.3447 -14.3447 -14.2959 -14.2959 -14.2959 -14.2959 -8.0817 -8.0817 -8.0817 -8.0817 -7.9741 -7.9741 -7.9740 -7.9740 -7.0261 -7.0261 -7.0260 -7.0260 -6.9073 -6.9073 -6.9068 -6.9068 -5.6008 -5.6008 -5.6002 -5.6002 -5.5689 -5.5689 -5.5686 -5.5686 -3.9384 -3.9384 -3.9379 -3.9379 -3.8919 -3.8919 -3.8911 -3.8911 -3.4960 -3.4960 -3.4947 -3.4947 -3.4486 -3.4486 -3.4457 -3.4457 -3.2294 -3.2294 -3.2278 -3.2278 -2.9866 -2.9866 -2.9829 -2.9829 4.5203 4.5203 4.5208 4.5208 4.7968 4.7968 4.7989 4.7989 5.0520 5.0520 5.0522 5.0522 k = 0.5000 1.0578 0.1179 ( 9438 PWs) bands (ev): -17.9472 -17.9472 -17.9472 -17.9472 -17.9012 -17.9012 -17.9012 -17.9012 -14.3470 -14.3470 -14.3470 -14.3470 -14.2934 -14.2934 -14.2934 -14.2934 -8.0820 -8.0820 -8.0820 -8.0820 -7.9736 -7.9736 -7.9735 -7.9735 -7.0262 -7.0262 -7.0260 -7.0260 -6.9108 -6.9108 -6.9104 -6.9104 -5.5992 -5.5992 -5.5987 -5.5987 -5.5671 -5.5671 -5.5668 -5.5668 -3.9400 -3.9400 -3.9394 -3.9394 -3.8902 -3.8902 -3.8893 -3.8893 -3.4997 -3.4997 -3.4986 -3.4986 -3.4473 -3.4473 -3.4448 -3.4448 -3.2252 -3.2252 -3.2235 -3.2235 -2.9892 -2.9892 -2.9856 -2.9856 4.5110 4.5110 4.5115 4.5115 4.7946 4.7946 4.7966 4.7966 5.0605 5.0605 5.0606 5.0606 k = 0.5000 1.0533 0.0931 ( 9436 PWs) bands (ev): -17.9474 -17.9474 -17.9474 -17.9474 -17.9009 -17.9009 -17.9009 -17.9009 -14.3491 -14.3491 -14.3491 -14.3491 -14.2911 -14.2911 -14.2911 -14.2911 -8.0822 -8.0822 -8.0822 -8.0822 -7.9731 -7.9731 -7.9730 -7.9730 -7.0261 -7.0261 -7.0259 -7.0259 -6.9144 -6.9144 -6.9140 -6.9140 -5.5988 -5.5988 -5.5983 -5.5983 -5.5642 -5.5642 -5.5639 -5.5639 -3.9415 -3.9415 -3.9409 -3.9409 -3.8883 -3.8883 -3.8874 -3.8874 -3.5036 -3.5036 -3.5026 -3.5026 -3.4460 -3.4460 -3.4438 -3.4438 -3.2207 -3.2207 -3.2189 -3.2189 -2.9920 -2.9920 -2.9885 -2.9885 4.5013 4.5013 4.5017 4.5017 4.7931 4.7931 4.7950 4.7950 5.0681 5.0681 5.0682 5.0682 k = 0.5000 1.0489 0.0684 ( 9436 PWs) bands (ev): -17.9477 -17.9477 -17.9477 -17.9477 -17.9005 -17.9005 -17.9005 -17.9005 -14.3511 -14.3511 -14.3511 -14.3511 -14.2889 -14.2889 -14.2889 -14.2889 -8.0824 -8.0824 -8.0824 -8.0824 -7.9726 -7.9726 -7.9726 -7.9726 -7.0258 -7.0258 -7.0257 -7.0257 -6.9182 -6.9182 -6.9178 -6.9178 -5.5990 -5.5990 -5.5987 -5.5987 -5.5605 -5.5605 -5.5603 -5.5603 -3.9430 -3.9430 -3.9424 -3.9424 -3.8864 -3.8864 -3.8855 -3.8855 -3.5074 -3.5074 -3.5066 -3.5066 -3.4447 -3.4447 -3.4428 -3.4428 -3.2160 -3.2160 -3.2141 -3.2141 -2.9950 -2.9950 -2.9917 -2.9917 4.4915 4.4915 4.4919 4.4919 4.7924 4.7924 4.7941 4.7941 5.0747 5.0747 5.0749 5.0749 k = 0.5000 1.0445 0.0436 ( 9428 PWs) bands (ev): -17.9480 -17.9480 -17.9480 -17.9480 -17.9002 -17.9002 -17.9002 -17.9002 -14.3529 -14.3529 -14.3529 -14.3529 -14.2869 -14.2869 -14.2869 -14.2869 -8.0826 -8.0826 -8.0825 -8.0825 -7.9722 -7.9722 -7.9722 -7.9722 -7.0254 -7.0254 -7.0252 -7.0252 -6.9220 -6.9220 -6.9217 -6.9217 -5.5997 -5.5997 -5.5994 -5.5994 -5.5565 -5.5565 -5.5563 -5.5563 -3.9444 -3.9444 -3.9438 -3.9438 -3.8845 -3.8845 -3.8836 -3.8836 -3.5112 -3.5112 -3.5105 -3.5105 -3.4435 -3.4435 -3.4419 -3.4419 -3.2111 -3.2111 -3.2093 -3.2093 -2.9982 -2.9982 -2.9950 -2.9950 4.4819 4.4819 4.4822 4.4822 4.7922 4.7922 4.7938 4.7938 5.0804 5.0804 5.0807 5.0807 k = 0.5000 1.0401 0.0189 ( 9424 PWs) bands (ev): -17.9482 -17.9482 -17.9482 -17.9482 -17.8998 -17.8998 -17.8998 -17.8998 -14.3546 -14.3546 -14.3546 -14.3546 -14.2850 -14.2850 -14.2850 -14.2850 -8.0827 -8.0827 -8.0826 -8.0826 -7.9718 -7.9718 -7.9718 -7.9718 -7.0248 -7.0248 -7.0247 -7.0247 -6.9258 -6.9258 -6.9255 -6.9255 -5.6006 -5.6006 -5.6003 -5.6003 -5.5525 -5.5525 -5.5524 -5.5524 -3.9456 -3.9456 -3.9450 -3.9450 -3.8826 -3.8826 -3.8818 -3.8818 -3.5148 -3.5148 -3.5142 -3.5142 -3.4425 -3.4425 -3.4410 -3.4410 -3.2063 -3.2063 -3.2045 -3.2045 -3.0014 -3.0014 -2.9984 -2.9984 4.4727 4.4727 4.4729 4.4729 4.7924 4.7924 4.7939 4.7939 5.0852 5.0852 5.0856 5.0856 k = 0.5000 1.0357-0.0058 ( 9420 PWs) bands (ev): -17.9485 -17.9485 -17.9485 -17.9485 -17.8995 -17.8995 -17.8995 -17.8995 -14.3561 -14.3561 -14.3561 -14.3561 -14.2834 -14.2834 -14.2834 -14.2834 -8.0828 -8.0828 -8.0827 -8.0827 -7.9715 -7.9715 -7.9714 -7.9714 -7.0241 -7.0241 -7.0240 -7.0240 -6.9295 -6.9295 -6.9292 -6.9292 -5.6014 -5.6014 -5.6012 -5.6012 -5.5488 -5.5488 -5.5487 -5.5487 -3.9467 -3.9467 -3.9462 -3.9462 -3.8809 -3.8809 -3.8801 -3.8801 -3.5182 -3.5182 -3.5176 -3.5176 -3.4415 -3.4415 -3.4403 -3.4403 -3.2015 -3.2015 -3.1998 -3.1998 -3.0046 -3.0046 -3.0018 -3.0018 4.4641 4.4641 4.4643 4.4643 4.7930 4.7930 4.7943 4.7943 5.0892 5.0892 5.0896 5.0896 k = 0.5000 1.0313-0.0306 ( 9420 PWs) bands (ev): -17.9487 -17.9487 -17.9487 -17.9487 -17.8992 -17.8992 -17.8992 -17.8992 -14.3574 -14.3574 -14.3574 -14.3574 -14.2819 -14.2819 -14.2819 -14.2819 -8.0828 -8.0828 -8.0828 -8.0828 -7.9712 -7.9712 -7.9711 -7.9711 -7.0234 -7.0234 -7.0232 -7.0232 -6.9329 -6.9329 -6.9326 -6.9326 -5.6022 -5.6022 -5.6021 -5.6021 -5.5453 -5.5453 -5.5453 -5.5453 -3.9477 -3.9477 -3.9473 -3.9473 -3.8792 -3.8792 -3.8785 -3.8785 -3.5212 -3.5212 -3.5207 -3.5207 -3.4406 -3.4406 -3.4396 -3.4396 -3.1970 -3.1970 -3.1954 -3.1954 -3.0076 -3.0076 -3.0051 -3.0051 4.4562 4.4562 4.4564 4.4564 4.7937 4.7937 4.7948 4.7948 5.0924 5.0924 5.0928 5.0928 k = 0.5000 1.0269-0.0553 ( 9414 PWs) bands (ev): -17.9489 -17.9489 -17.9489 -17.9489 -17.8990 -17.8990 -17.8990 -17.8990 -14.3586 -14.3586 -14.3586 -14.3586 -14.2807 -14.2807 -14.2807 -14.2807 -8.0828 -8.0828 -8.0828 -8.0828 -7.9709 -7.9709 -7.9709 -7.9709 -7.0225 -7.0225 -7.0224 -7.0224 -6.9361 -6.9361 -6.9358 -6.9358 -5.6029 -5.6029 -5.6028 -5.6028 -5.5423 -5.5423 -5.5423 -5.5423 -3.9486 -3.9486 -3.9482 -3.9482 -3.8777 -3.8777 -3.8771 -3.8771 -3.5238 -3.5238 -3.5234 -3.5234 -3.4399 -3.4399 -3.4391 -3.4391 -3.1929 -3.1929 -3.1914 -3.1914 -3.0104 -3.0104 -3.0082 -3.0082 4.4493 4.4493 4.4494 4.4494 4.7946 4.7946 4.7955 4.7955 5.0950 5.0950 5.0953 5.0953 k = 0.5000 1.0225-0.0800 ( 9414 PWs) bands (ev): -17.9491 -17.9491 -17.9491 -17.9491 -17.8988 -17.8988 -17.8988 -17.8988 -14.3595 -14.3595 -14.3595 -14.3595 -14.2797 -14.2797 -14.2797 -14.2797 -8.0828 -8.0828 -8.0828 -8.0828 -7.9707 -7.9707 -7.9707 -7.9707 -7.0218 -7.0218 -7.0216 -7.0216 -6.9388 -6.9388 -6.9386 -6.9386 -5.6035 -5.6035 -5.6034 -5.6034 -5.5398 -5.5398 -5.5397 -5.5397 -3.9493 -3.9493 -3.9489 -3.9489 -3.8764 -3.8764 -3.8760 -3.8760 -3.5261 -3.5261 -3.5258 -3.5258 -3.4393 -3.4393 -3.4386 -3.4386 -3.1892 -3.1892 -3.1879 -3.1879 -3.0128 -3.0128 -3.0110 -3.0110 4.4435 4.4435 4.4436 4.4436 4.7954 4.7954 4.7962 4.7962 5.0969 5.0969 5.0973 5.0973 k = 0.5000 1.0181-0.1048 ( 9420 PWs) bands (ev): -17.9493 -17.9493 -17.9493 -17.9493 -17.8986 -17.8986 -17.8986 -17.8986 -14.3602 -14.3602 -14.3602 -14.3602 -14.2789 -14.2789 -14.2789 -14.2789 -8.0828 -8.0828 -8.0828 -8.0828 -7.9705 -7.9705 -7.9705 -7.9705 -7.0211 -7.0211 -7.0210 -7.0210 -6.9411 -6.9411 -6.9409 -6.9409 -5.6039 -5.6039 -5.6039 -5.6039 -5.5377 -5.5377 -5.5377 -5.5377 -3.9498 -3.9498 -3.9496 -3.9496 -3.8754 -3.8754 -3.8750 -3.8750 -3.5279 -3.5279 -3.5276 -3.5276 -3.4388 -3.4388 -3.4383 -3.4383 -3.1861 -3.1861 -3.1851 -3.1851 -3.0148 -3.0148 -3.0134 -3.0134 4.4388 4.4388 4.4389 4.4389 4.7961 4.7961 4.7967 4.7967 5.0984 5.0984 5.0987 5.0987 k = 0.5000 1.0137-0.1295 ( 9416 PWs) bands (ev): -17.9494 -17.9494 -17.9494 -17.9494 -17.8985 -17.8985 -17.8985 -17.8985 -14.3607 -14.3607 -14.3607 -14.3607 -14.2783 -14.2783 -14.2783 -14.2783 -8.0828 -8.0828 -8.0828 -8.0828 -7.9704 -7.9704 -7.9704 -7.9704 -7.0205 -7.0205 -7.0204 -7.0204 -6.9428 -6.9428 -6.9427 -6.9427 -5.6042 -5.6042 -5.6042 -5.6042 -5.5363 -5.5363 -5.5363 -5.5363 -3.9502 -3.9502 -3.9500 -3.9500 -3.8746 -3.8746 -3.8744 -3.8744 -3.5292 -3.5292 -3.5290 -3.5290 -3.4384 -3.4384 -3.4381 -3.4381 -3.1838 -3.1838 -3.1831 -3.1831 -3.0162 -3.0162 -3.0152 -3.0152 4.4355 4.4355 4.4355 4.4355 4.7967 4.7967 4.7971 4.7971 5.0994 5.0994 5.0996 5.0996 k = 0.5000 1.0093-0.1543 ( 9400 PWs) bands (ev): -17.9494 -17.9494 -17.9494 -17.9494 -17.8984 -17.8984 -17.8984 -17.8984 -14.3611 -14.3611 -14.3611 -14.3611 -14.2780 -14.2780 -14.2780 -14.2780 -8.0828 -8.0828 -8.0828 -8.0828 -7.9703 -7.9703 -7.9703 -7.9703 -7.0201 -7.0201 -7.0201 -7.0201 -6.9438 -6.9438 -6.9438 -6.9438 -5.6044 -5.6044 -5.6044 -5.6044 -5.5354 -5.5354 -5.5354 -5.5354 -3.9504 -3.9504 -3.9503 -3.9503 -3.8741 -3.8741 -3.8740 -3.8740 -3.5299 -3.5299 -3.5298 -3.5298 -3.4381 -3.4381 -3.4380 -3.4380 -3.1823 -3.1823 -3.1819 -3.1819 -3.0170 -3.0170 -3.0165 -3.0165 4.4334 4.4334 4.4334 4.4334 4.7972 4.7972 4.7974 4.7974 5.1001 5.1001 5.1001 5.1001 k = 0.5000 1.0049-0.1790 ( 9400 PWs) bands (ev): -17.9494 -17.9494 -17.9494 -17.9494 -17.8984 -17.8984 -17.8984 -17.8984 -14.3612 -14.3612 -14.3612 -14.3612 -14.2779 -14.2779 -14.2779 -14.2779 -8.0828 -8.0828 -8.0828 -8.0828 -7.9703 -7.9703 -7.9703 -7.9703 -7.0200 -7.0200 -7.0200 -7.0200 -6.9441 -6.9441 -6.9441 -6.9441 -5.6045 -5.6045 -5.6045 -5.6045 -5.5351 -5.5351 -5.5351 -5.5351 -3.9504 -3.9504 -3.9504 -3.9504 -3.8739 -3.8739 -3.8739 -3.8739 -3.5301 -3.5301 -3.5301 -3.5301 -3.4380 -3.4380 -3.4380 -3.4380 -3.1816 -3.1816 -3.1816 -3.1816 -3.0171 -3.0171 -3.0171 -3.0171 4.4327 4.4327 4.4327 4.4327 4.7974 4.7974 4.7974 4.7974 5.1003 5.1003 5.1003 5.1003 k = 0.5000 1.0049-0.1790 ( 9400 PWs) bands (ev): -17.9494 -17.9494 -17.9494 -17.9494 -17.8984 -17.8984 -17.8984 -17.8984 -14.3612 -14.3612 -14.3612 -14.3612 -14.2779 -14.2779 -14.2779 -14.2779 -8.0828 -8.0828 -8.0828 -8.0828 -7.9703 -7.9703 -7.9703 -7.9703 -7.0200 -7.0200 -7.0200 -7.0200 -6.9441 -6.9441 -6.9441 -6.9441 -5.6045 -5.6045 -5.6045 -5.6045 -5.5351 -5.5351 -5.5351 -5.5351 -3.9504 -3.9504 -3.9504 -3.9504 -3.8739 -3.8739 -3.8739 -3.8739 -3.5301 -3.5301 -3.5301 -3.5301 -3.4380 -3.4380 -3.4380 -3.4380 -3.1816 -3.1816 -3.1816 -3.1816 -3.0171 -3.0171 -3.0171 -3.0171 4.4327 4.4327 4.4327 4.4327 4.7974 4.7974 4.7974 4.7974 5.1003 5.1003 5.1003 5.1003 k = 0.4750 1.0049-0.1790 ( 9400 PWs) bands (ev): -17.9503 -17.9503 -17.9485 -17.9485 -17.8994 -17.8994 -17.8973 -17.8973 -14.3633 -14.3633 -14.3590 -14.3590 -14.2801 -14.2801 -14.2756 -14.2756 -8.0860 -8.0860 -8.0797 -8.0797 -7.9710 -7.9710 -7.9696 -7.9696 -7.0268 -7.0268 -7.0128 -7.0128 -6.9528 -6.9528 -6.9355 -6.9355 -5.6173 -5.6173 -5.5916 -5.5916 -5.5457 -5.5457 -5.5247 -5.5247 -3.9540 -3.9540 -3.9473 -3.9473 -3.8784 -3.8784 -3.8695 -3.8695 -3.5399 -3.5399 -3.5199 -3.5199 -3.4409 -3.4409 -3.4344 -3.4344 -3.1897 -3.1897 -3.1737 -3.1737 -3.0178 -3.0178 -3.0168 -3.0168 4.4139 4.4139 4.4521 4.4521 4.7732 4.7732 4.8199 4.8199 5.0975 5.0975 5.1033 5.1033 k = 0.4500 1.0049-0.1790 ( 9402 PWs) bands (ev): -17.9512 -17.9512 -17.9476 -17.9476 -17.9005 -17.9005 -17.8963 -17.8963 -14.3654 -14.3654 -14.3569 -14.3569 -14.2824 -14.2824 -14.2734 -14.2734 -8.0892 -8.0892 -8.0767 -8.0767 -7.9718 -7.9718 -7.9690 -7.9690 -7.0334 -7.0334 -7.0054 -7.0054 -6.9614 -6.9614 -6.9269 -6.9269 -5.6300 -5.6300 -5.5787 -5.5787 -5.5563 -5.5563 -5.5145 -5.5145 -3.9580 -3.9580 -3.9447 -3.9447 -3.8830 -3.8830 -3.8650 -3.8650 -3.5490 -3.5490 -3.5094 -3.5094 -3.4431 -3.4431 -3.4302 -3.4302 -3.1978 -3.1978 -3.1661 -3.1661 -3.0188 -3.0188 -3.0170 -3.0170 4.3959 4.3959 4.4720 4.4720 4.7477 4.7477 4.8405 4.8405 5.0950 5.0950 5.1066 5.1066 k = 0.4250 1.0049-0.1790 ( 9408 PWs) bands (ev): -17.9520 -17.9520 -17.9467 -17.9467 -17.9017 -17.9017 -17.8953 -17.8953 -14.3674 -14.3674 -14.3548 -14.3548 -14.2846 -14.2846 -14.2711 -14.2711 -8.0925 -8.0925 -8.0738 -8.0738 -7.9726 -7.9726 -7.9684 -7.9684 -7.0395 -7.0395 -6.9977 -6.9977 -6.9700 -6.9700 -6.9185 -6.9185 -5.6424 -5.6424 -5.5670 -5.5670 -5.5659 -5.5659 -5.5047 -5.5047 -3.9622 -3.9622 -3.9427 -3.9427 -3.8879 -3.8879 -3.8606 -3.8606 -3.5575 -3.5575 -3.4986 -3.4986 -3.4448 -3.4448 -3.4253 -3.4253 -3.2060 -3.2060 -3.1587 -3.1587 -3.0202 -3.0202 -3.0174 -3.0174 4.3787 4.3787 4.4920 4.4920 4.7210 4.7210 4.8587 4.8587 5.0927 5.0927 5.1102 5.1102 k = 0.4000 1.0049-0.1790 ( 9416 PWs) bands (ev): -17.9528 -17.9528 -17.9457 -17.9457 -17.9028 -17.9028 -17.8943 -17.8943 -14.3695 -14.3695 -14.3527 -14.3527 -14.2868 -14.2868 -14.2690 -14.2690 -8.0957 -8.0957 -8.0710 -8.0710 -7.9734 -7.9734 -7.9678 -7.9678 -7.0453 -7.0453 -6.9900 -6.9900 -6.9785 -6.9785 -6.9103 -6.9103 -5.6545 -5.6545 -5.5777 -5.5777 -5.5533 -5.5533 -5.4952 -5.4952 -3.9665 -3.9665 -3.9412 -3.9412 -3.8930 -3.8930 -3.8562 -3.8562 -3.5652 -3.5652 -3.4877 -3.4877 -3.4459 -3.4459 -3.4197 -3.4197 -3.2142 -3.2142 -3.1517 -3.1517 -3.0219 -3.0219 -3.0183 -3.0183 4.3626 4.3626 4.5122 4.5122 4.6935 4.6935 4.8745 4.8745 5.0906 5.0906 5.1140 5.1140 k = 0.3750 1.0049-0.1790 ( 9412 PWs) bands (ev): -17.9535 -17.9535 -17.9447 -17.9447 -17.9039 -17.9039 -17.8934 -17.8934 -14.3714 -14.3714 -14.3507 -14.3507 -14.2889 -14.2889 -14.2668 -14.2668 -8.0989 -8.0989 -8.0684 -8.0684 -7.9743 -7.9743 -7.9672 -7.9672 -7.0506 -7.0506 -6.9868 -6.9868 -6.9821 -6.9821 -6.9023 -6.9023 -5.6663 -5.6663 -5.5882 -5.5882 -5.5409 -5.5409 -5.4862 -5.4862 -3.9709 -3.9709 -3.9403 -3.9403 -3.8984 -3.8984 -3.8517 -3.8517 -3.5721 -3.5721 -3.4769 -3.4769 -3.4466 -3.4466 -3.4136 -3.4136 -3.2222 -3.2222 -3.1451 -3.1451 -3.0239 -3.0239 -3.0195 -3.0195 4.3476 4.3476 4.5323 4.5323 4.6655 4.6655 4.8874 4.8874 5.0888 5.0888 5.1181 5.1181 k = 0.3500 1.0049-0.1790 ( 9406 PWs) bands (ev): -17.9542 -17.9542 -17.9438 -17.9438 -17.9051 -17.9051 -17.8925 -17.8925 -14.3733 -14.3733 -14.3488 -14.3488 -14.2909 -14.2909 -14.2648 -14.2648 -8.1019 -8.1019 -8.0660 -8.0660 -7.9753 -7.9753 -7.9665 -7.9665 -7.0554 -7.0554 -6.9948 -6.9948 -6.9743 -6.9743 -6.8945 -6.8945 -5.6776 -5.6776 -5.5985 -5.5985 -5.5288 -5.5288 -5.4776 -5.4776 -3.9751 -3.9751 -3.9399 -3.9399 -3.9041 -3.9041 -3.8473 -3.8473 -3.5781 -3.5781 -3.4662 -3.4662 -3.4468 -3.4468 -3.4069 -3.4069 -3.2301 -3.2301 -3.1390 -3.1390 -3.0261 -3.0261 -3.0209 -3.0209 4.3339 4.3339 4.5521 4.5521 4.6373 4.6373 4.8973 4.8973 5.0872 5.0872 5.1225 5.1225 k = 0.3250 1.0049-0.1790 ( 9414 PWs) bands (ev): -17.9549 -17.9549 -17.9428 -17.9428 -17.9063 -17.9063 -17.8917 -17.8917 -14.3751 -14.3751 -14.3469 -14.3469 -14.2929 -14.2929 -14.2628 -14.2628 -8.1049 -8.1049 -8.0637 -8.0637 -7.9763 -7.9763 -7.9659 -7.9659 -7.0597 -7.0597 -7.0027 -7.0027 -6.9665 -6.9665 -6.8871 -6.8871 -5.6884 -5.6884 -5.6085 -5.6085 -5.5171 -5.5171 -5.4696 -5.4696 -3.9792 -3.9792 -3.9399 -3.9399 -3.9101 -3.9101 -3.8430 -3.8430 -3.5832 -3.5832 -3.4557 -3.4557 -3.4467 -3.4467 -3.3998 -3.3998 -3.2378 -3.2378 -3.1335 -3.1335 -3.0285 -3.0285 -3.0227 -3.0227 4.3216 4.3216 4.5716 4.5716 4.6090 4.6090 4.9040 4.9040 5.0858 5.0858 5.1271 5.1271 k = 0.3000 1.0049-0.1790 ( 9422 PWs) bands (ev): -17.9555 -17.9555 -17.9418 -17.9418 -17.9074 -17.9074 -17.8909 -17.8909 -14.3768 -14.3768 -14.3451 -14.3451 -14.2948 -14.2948 -14.2609 -14.2609 -8.1078 -8.1078 -8.0617 -8.0617 -7.9773 -7.9773 -7.9652 -7.9652 -7.0636 -7.0636 -7.0103 -7.0103 -6.9589 -6.9589 -6.8801 -6.8801 -5.6987 -5.6987 -5.6181 -5.6181 -5.5059 -5.5059 -5.4622 -5.4622 -3.9830 -3.9830 -3.9402 -3.9402 -3.9164 -3.9164 -3.8389 -3.8389 -3.5876 -3.5876 -3.4464 -3.4464 -3.4452 -3.4452 -3.3925 -3.3925 -3.2452 -3.2452 -3.1286 -3.1286 -3.0309 -3.0309 -3.0246 -3.0246 4.3108 4.3108 4.5806 4.5806 4.5909 4.5909 4.9074 4.9074 5.0846 5.0846 5.1319 5.1319 k = 0.2750 1.0049-0.1790 ( 9434 PWs) bands (ev): -17.9561 -17.9561 -17.9408 -17.9408 -17.9086 -17.9086 -17.8902 -17.8902 -14.3784 -14.3784 -14.3434 -14.3434 -14.2966 -14.2966 -14.2592 -14.2592 -8.1105 -8.1105 -8.0599 -8.0599 -7.9783 -7.9783 -7.9646 -7.9646 -7.0670 -7.0670 -7.0175 -7.0175 -6.9515 -6.9515 -6.8735 -6.8735 -5.7083 -5.7083 -5.6273 -5.6273 -5.4952 -5.4952 -5.4553 -5.4553 -3.9864 -3.9864 -3.9408 -3.9408 -3.9228 -3.9228 -3.8349 -3.8349 -3.5911 -3.5911 -3.4456 -3.4456 -3.4352 -3.4352 -3.3851 -3.3851 -3.2522 -3.2522 -3.1244 -3.1244 -3.0333 -3.0333 -3.0267 -3.0267 4.3015 4.3015 4.5532 4.5532 4.6089 4.6089 4.9078 4.9078 5.0836 5.0836 5.1368 5.1368 k = 0.2500 1.0049-0.1790 ( 9436 PWs) bands (ev): -17.9566 -17.9566 -17.9398 -17.9398 -17.9097 -17.9097 -17.8895 -17.8895 -14.3800 -14.3800 -14.3417 -14.3417 -14.2982 -14.2982 -14.2575 -14.2575 -8.1131 -8.1131 -8.0584 -8.0584 -7.9793 -7.9793 -7.9639 -7.9639 -7.0698 -7.0698 -7.0244 -7.0244 -6.9444 -6.9444 -6.8674 -6.8674 -5.7173 -5.7173 -5.6359 -5.6359 -5.4852 -5.4852 -5.4491 -5.4491 -3.9894 -3.9894 -3.9417 -3.9417 -3.9294 -3.9294 -3.8312 -3.8312 -3.5939 -3.5939 -3.4448 -3.4448 -3.4254 -3.4254 -3.3778 -3.3778 -3.2589 -3.2589 -3.1210 -3.1210 -3.0355 -3.0355 -3.0289 -3.0289 4.2939 4.2939 4.5263 4.5263 4.6265 4.6265 4.9054 4.9054 5.0828 5.0828 5.1418 5.1418 k = 0.2250 1.0049-0.1790 ( 9436 PWs) bands (ev): -17.9571 -17.9571 -17.9388 -17.9388 -17.9108 -17.9108 -17.8889 -17.8889 -14.3814 -14.3814 -14.3402 -14.3402 -14.2997 -14.2997 -14.2559 -14.2559 -8.1154 -8.1154 -8.0570 -8.0570 -7.9803 -7.9803 -7.9632 -7.9632 -7.0722 -7.0722 -7.0309 -7.0309 -6.9377 -6.9377 -6.8617 -6.8617 -5.7256 -5.7256 -5.6440 -5.6440 -5.4758 -5.4758 -5.4435 -5.4435 -3.9919 -3.9919 -3.9427 -3.9427 -3.9360 -3.9360 -3.8277 -3.8277 -3.5961 -3.5961 -3.4438 -3.4438 -3.4159 -3.4159 -3.3709 -3.3709 -3.2650 -3.2650 -3.1184 -3.1184 -3.0375 -3.0375 -3.0312 -3.0312 4.2879 4.2879 4.5002 4.5002 4.6433 4.6433 4.9005 4.9005 5.0821 5.0821 5.1467 5.1467 k = 0.2000 1.0049-0.1790 ( 9440 PWs) bands (ev): -17.9576 -17.9576 -17.9379 -17.9379 -17.9118 -17.9118 -17.8884 -17.8884 -14.3826 -14.3826 -14.3389 -14.3389 -14.3011 -14.3011 -14.2545 -14.2545 -8.1176 -8.1176 -8.0558 -8.0558 -7.9813 -7.9813 -7.9626 -7.9626 -7.0740 -7.0740 -7.0371 -7.0371 -6.9314 -6.9314 -6.8566 -6.8566 -5.7331 -5.7331 -5.6514 -5.6514 -5.4672 -5.4672 -5.4386 -5.4386 -3.9938 -3.9938 -3.9443 -3.9443 -3.9420 -3.9420 -3.8246 -3.8246 -3.5978 -3.5978 -3.4428 -3.4428 -3.4068 -3.4068 -3.3644 -3.3644 -3.2707 -3.2707 -3.1166 -3.1166 -3.0392 -3.0392 -3.0334 -3.0334 4.2836 4.2836 4.4752 4.4752 4.6592 4.6592 4.8939 4.8939 5.0815 5.0815 5.1513 5.1513 k = 0.1750 1.0049-0.1790 ( 9440 PWs) bands (ev): -17.9580 -17.9580 -17.9369 -17.9369 -17.9129 -17.9129 -17.8879 -17.8879 -14.3837 -14.3837 -14.3376 -14.3376 -14.3024 -14.3024 -14.2533 -14.2533 -8.1195 -8.1195 -8.0548 -8.0548 -7.9822 -7.9822 -7.9619 -7.9619 -7.0754 -7.0754 -7.0428 -7.0428 -6.9256 -6.9256 -6.8521 -6.8521 -5.7398 -5.7398 -5.6581 -5.6581 -5.4593 -5.4593 -5.4343 -5.4343 -3.9952 -3.9952 -3.9495 -3.9495 -3.9442 -3.9442 -3.8218 -3.8218 -3.5990 -3.5990 -3.4418 -3.4418 -3.3980 -3.3980 -3.3587 -3.3587 -3.2758 -3.2758 -3.1155 -3.1155 -3.0406 -3.0406 -3.0355 -3.0355 4.2811 4.2811 4.4514 4.4514 4.6741 4.6741 4.8858 4.8858 5.0811 5.0811 5.1555 5.1555 k = 0.1500 1.0049-0.1790 ( 9444 PWs) bands (ev): -17.9583 -17.9583 -17.9361 -17.9361 -17.9138 -17.9138 -17.8874 -17.8874 -14.3847 -14.3847 -14.3366 -14.3366 -14.3035 -14.3035 -14.2522 -14.2522 -8.1212 -8.1212 -8.0540 -8.0540 -7.9830 -7.9830 -7.9613 -7.9613 -7.0762 -7.0762 -7.0481 -7.0481 -6.9205 -6.9205 -6.8481 -6.8481 -5.7457 -5.7457 -5.6640 -5.6640 -5.4523 -5.4523 -5.4308 -5.4308 -3.9960 -3.9960 -3.9557 -3.9557 -3.9453 -3.9453 -3.8193 -3.8193 -3.5998 -3.5998 -3.4409 -3.4409 -3.3898 -3.3898 -3.3537 -3.3537 -3.2802 -3.2802 -3.1151 -3.1151 -3.0416 -3.0416 -3.0374 -3.0374 4.2803 4.2803 4.4290 4.4290 4.6881 4.6881 4.8769 4.8769 5.0807 5.0807 5.1591 5.1591 k = 0.1250 1.0049-0.1790 ( 9440 PWs) bands (ev): -17.9586 -17.9586 -17.9352 -17.9352 -17.9147 -17.9147 -17.8871 -17.8871 -14.3856 -14.3856 -14.3356 -14.3356 -14.3044 -14.3044 -14.2512 -14.2512 -8.1227 -8.1227 -8.0533 -8.0533 -7.9837 -7.9837 -7.9608 -7.9608 -7.0766 -7.0766 -7.0529 -7.0529 -6.9160 -6.9160 -6.8447 -6.8447 -5.7507 -5.7507 -5.6690 -5.6690 -5.4461 -5.4461 -5.4279 -5.4279 -3.9963 -3.9963 -3.9615 -3.9615 -3.9462 -3.9462 -3.8173 -3.8173 -3.6003 -3.6003 -3.4400 -3.4400 -3.3822 -3.3822 -3.3497 -3.3497 -3.2841 -3.2841 -3.1152 -3.1152 -3.0424 -3.0424 -3.0391 -3.0391 4.2812 4.2812 4.4082 4.4082 4.7010 4.7010 4.8676 4.8676 5.0804 5.0804 5.1622 5.1622 k = 0.1000 1.0049-0.1790 ( 9434 PWs) bands (ev): -17.9589 -17.9589 -17.9345 -17.9345 -17.9155 -17.9155 -17.8868 -17.8868 -14.3863 -14.3863 -14.3349 -14.3349 -14.3052 -14.3052 -14.2504 -14.2504 -8.1239 -8.1239 -8.0528 -8.0528 -7.9843 -7.9843 -7.9603 -7.9603 -7.0765 -7.0765 -7.0572 -7.0572 -6.9122 -6.9122 -6.8419 -6.8419 -5.7549 -5.7549 -5.6732 -5.6732 -5.4408 -5.4408 -5.4257 -5.4257 -3.9959 -3.9959 -3.9670 -3.9670 -3.9470 -3.9470 -3.8155 -3.8155 -3.6006 -3.6006 -3.4393 -3.4393 -3.3754 -3.3754 -3.3467 -3.3467 -3.2872 -3.2872 -3.1156 -3.1156 -3.0431 -3.0431 -3.0403 -3.0403 4.2837 4.2837 4.3892 4.3892 4.7127 4.7127 4.8585 4.8585 5.0803 5.0803 5.1646 5.1646 k = 0.0750 1.0049-0.1790 ( 9432 PWs) bands (ev): -17.9590 -17.9590 -17.9339 -17.9339 -17.9162 -17.9162 -17.8865 -17.8865 -14.3868 -14.3868 -14.3343 -14.3343 -14.3058 -14.3058 -14.2498 -14.2498 -8.1248 -8.1248 -8.0524 -8.0524 -7.9848 -7.9848 -7.9599 -7.9599 -7.0760 -7.0760 -7.0610 -7.0610 -6.9092 -6.9092 -6.8397 -6.8397 -5.7581 -5.7581 -5.6766 -5.6766 -5.4365 -5.4365 -5.4242 -5.4242 -3.9950 -3.9950 -3.9719 -3.9719 -3.9477 -3.9477 -3.8142 -3.8142 -3.6008 -3.6008 -3.4387 -3.4387 -3.3696 -3.3696 -3.3447 -3.3447 -3.2897 -3.2897 -3.1162 -3.1162 -3.0437 -3.0437 -3.0411 -3.0411 4.2877 4.2877 4.3724 4.3724 4.7227 4.7227 4.8501 4.8501 5.0801 5.0801 5.1665 5.1665 k = 0.0500 1.0049-0.1790 ( 9428 PWs) bands (ev): -17.9592 -17.9592 -17.9335 -17.9335 -17.9167 -17.9167 -17.8863 -17.8863 -14.3872 -14.3872 -14.3338 -14.3338 -14.3063 -14.3063 -14.2494 -14.2494 -8.1255 -8.1255 -8.0521 -8.0521 -7.9852 -7.9852 -7.9596 -7.9596 -7.0751 -7.0751 -7.0643 -7.0643 -6.9070 -6.9070 -6.8382 -6.8382 -5.7605 -5.7605 -5.6790 -5.6790 -5.4332 -5.4332 -5.4233 -5.4233 -3.9938 -3.9938 -3.9761 -3.9761 -3.9481 -3.9481 -3.8132 -3.8132 -3.6009 -3.6009 -3.4383 -3.4383 -3.3650 -3.3650 -3.3435 -3.3435 -3.2915 -3.2915 -3.1168 -3.1168 -3.0443 -3.0443 -3.0415 -3.0415 4.2925 4.2925 4.3583 4.3583 4.7308 4.7308 4.8431 4.8431 5.0800 5.0800 5.1678 5.1678 k = 0.0250 1.0049-0.1790 ( 9434 PWs) bands (ev): -17.9593 -17.9593 -17.9332 -17.9332 -17.9170 -17.9170 -17.8862 -17.8862 -14.3874 -14.3874 -14.3336 -14.3336 -14.3065 -14.3065 -14.2491 -14.2491 -8.1259 -8.1259 -8.0520 -8.0520 -7.9854 -7.9854 -7.9595 -7.9595 -7.0741 -7.0741 -7.0668 -7.0668 -6.9057 -6.9057 -6.8372 -6.8372 -5.7619 -5.7619 -5.6804 -5.6804 -5.4311 -5.4311 -5.4229 -5.4229 -3.9925 -3.9925 -3.9792 -3.9792 -3.9484 -3.9484 -3.8127 -3.8127 -3.6009 -3.6009 -3.4380 -3.4380 -3.3619 -3.3619 -3.3430 -3.3430 -3.2925 -3.2925 -3.1171 -3.1171 -3.0448 -3.0448 -3.0417 -3.0417 4.2971 4.2971 4.3481 4.3481 4.7361 4.7361 4.8384 4.8384 5.0800 5.0800 5.1686 5.1686 k = 0.0000 1.0049-0.1790 ( 9438 PWs) bands (ev): -17.9593 -17.9593 -17.9331 -17.9331 -17.9171 -17.9171 -17.8862 -17.8862 -14.3875 -14.3875 -14.3335 -14.3335 -14.3066 -14.3066 -14.2490 -14.2490 -8.1261 -8.1261 -8.0519 -8.0519 -7.9855 -7.9855 -7.9594 -7.9594 -7.0735 -7.0735 -7.0679 -7.0679 -6.9053 -6.9053 -6.8369 -6.8369 -5.7624 -5.7624 -5.6809 -5.6809 -5.4304 -5.4304 -5.4228 -5.4228 -3.9918 -3.9918 -3.9804 -3.9804 -3.9485 -3.9485 -3.8125 -3.8125 -3.6010 -3.6010 -3.4379 -3.4379 -3.3609 -3.3609 -3.3429 -3.3429 -3.2929 -3.2929 -3.1173 -3.1173 -3.0449 -3.0449 -3.0417 -3.0417 4.2992 4.2992 4.3442 4.3442 4.7380 4.7380 4.8367 4.8367 5.0799 5.0799 5.1689 5.1689 k = 0.0000 1.0049-0.1790 ( 9438 PWs) bands (ev): -17.9593 -17.9593 -17.9331 -17.9331 -17.9171 -17.9171 -17.8862 -17.8862 -14.3875 -14.3875 -14.3335 -14.3335 -14.3066 -14.3066 -14.2490 -14.2490 -8.1261 -8.1261 -8.0519 -8.0519 -7.9855 -7.9855 -7.9594 -7.9594 -7.0735 -7.0735 -7.0679 -7.0679 -6.9053 -6.9053 -6.8369 -6.8369 -5.7624 -5.7624 -5.6809 -5.6809 -5.4304 -5.4304 -5.4228 -5.4228 -3.9918 -3.9918 -3.9804 -3.9804 -3.9485 -3.9485 -3.8125 -3.8125 -3.6010 -3.6010 -3.4379 -3.4379 -3.3609 -3.3609 -3.3429 -3.3429 -3.2929 -3.2929 -3.1173 -3.1173 -3.0449 -3.0449 -3.0417 -3.0417 4.2992 4.2992 4.3442 4.3442 4.7380 4.7380 4.8367 4.8367 5.0799 5.0799 5.1689 5.1689 k = 0.0000 1.0093-0.1543 ( 9430 PWs) bands (ev): -17.9592 -17.9592 -17.9331 -17.9331 -17.9170 -17.9170 -17.8862 -17.8862 -14.3874 -14.3874 -14.3334 -14.3334 -14.3067 -14.3067 -14.2491 -14.2491 -8.1261 -8.1261 -8.0517 -8.0517 -7.9862 -7.9862 -7.9589 -7.9589 -7.0732 -7.0732 -7.0678 -7.0678 -6.9051 -6.9051 -6.8369 -6.8369 -5.7624 -5.7624 -5.6812 -5.6812 -5.4305 -5.4305 -5.4227 -5.4227 -3.9915 -3.9915 -3.9813 -3.9813 -3.9477 -3.9477 -3.8128 -3.8128 -3.6005 -3.6005 -3.4379 -3.4379 -3.3619 -3.3619 -3.3430 -3.3430 -3.2920 -3.2920 -3.1182 -3.1182 -3.0444 -3.0444 -3.0415 -3.0415 4.3000 4.3000 4.3447 4.3447 4.7383 4.7383 4.8364 4.8364 5.0797 5.0797 5.1689 5.1689 k = 0.0000 1.0137-0.1295 ( 9430 PWs) bands (ev): -17.9591 -17.9591 -17.9333 -17.9333 -17.9169 -17.9169 -17.8864 -17.8864 -14.3871 -14.3871 -14.3330 -14.3330 -14.3070 -14.3070 -14.2495 -14.2495 -8.1261 -8.1261 -8.0510 -8.0510 -7.9882 -7.9882 -7.9577 -7.9577 -7.0725 -7.0725 -7.0677 -7.0677 -6.9046 -6.9046 -6.8370 -6.8370 -5.7624 -5.7624 -5.6821 -5.6821 -5.4309 -5.4309 -5.4224 -5.4224 -3.9905 -3.9905 -3.9835 -3.9835 -3.9457 -3.9457 -3.8139 -3.8139 -3.5991 -3.5991 -3.4380 -3.4380 -3.3646 -3.3646 -3.3431 -3.3431 -3.2896 -3.2896 -3.1209 -3.1209 -3.0431 -3.0431 -3.0405 -3.0405 4.3025 4.3025 4.3461 4.3461 4.7393 4.7393 4.8354 4.8354 5.0788 5.0788 5.1692 5.1692 k = 0.0000 1.0181-0.1048 ( 9439 PWs) bands (ev): -17.9589 -17.9589 -17.9335 -17.9335 -17.9167 -17.9167 -17.8866 -17.8866 -14.3867 -14.3867 -14.3325 -14.3325 -14.3075 -14.3075 -14.2502 -14.2502 -8.1262 -8.1262 -8.0499 -8.0499 -7.9913 -7.9913 -7.9560 -7.9560 -7.0714 -7.0714 -7.0674 -7.0674 -6.9038 -6.9038 -6.8371 -6.8371 -5.7625 -5.7625 -5.6837 -5.6837 -5.4315 -5.4315 -5.4220 -5.4220 -3.9890 -3.9890 -3.9867 -3.9867 -3.9429 -3.9429 -3.8157 -3.8157 -3.5969 -3.5969 -3.4383 -3.4383 -3.3687 -3.3687 -3.3433 -3.3433 -3.2861 -3.2861 -3.1251 -3.1251 -3.0418 -3.0418 -3.0384 -3.0384 4.3066 4.3066 4.3486 4.3486 4.7410 4.7410 4.8337 4.8337 5.0774 5.0774 5.1696 5.1696 k = 0.0000 1.0225-0.0800 ( 9431 PWs) bands (ev): -17.9586 -17.9586 -17.9339 -17.9339 -17.9164 -17.9164 -17.8869 -17.8869 -14.3861 -14.3861 -14.3316 -14.3316 -14.3082 -14.3082 -14.2511 -14.2511 -8.1262 -8.1262 -8.0484 -8.0484 -7.9950 -7.9950 -7.9541 -7.9541 -7.0699 -7.0699 -7.0670 -7.0670 -6.9027 -6.9027 -6.8371 -6.8371 -5.7627 -5.7627 -5.6859 -5.6859 -5.4323 -5.4323 -5.4213 -5.4213 -3.9907 -3.9907 -3.9864 -3.9864 -3.9397 -3.9397 -3.8182 -3.8182 -3.5938 -3.5938 -3.4386 -3.4386 -3.3737 -3.3737 -3.3436 -3.3436 -3.2818 -3.2818 -3.1304 -3.1304 -3.0407 -3.0407 -3.0352 -3.0352 4.3123 4.3123 4.3519 4.3519 4.7432 4.7432 4.8313 4.8313 5.0757 5.0757 5.1701 5.1701 k = 0.0000 1.0269-0.0553 ( 9437 PWs) bands (ev): -17.9582 -17.9582 -17.9343 -17.9343 -17.9160 -17.9160 -17.8873 -17.8873 -14.3853 -14.3853 -14.3306 -14.3306 -14.3091 -14.3091 -14.2522 -14.2522 -8.1263 -8.1263 -8.0465 -8.0465 -7.9991 -7.9991 -7.9523 -7.9523 -7.0680 -7.0680 -7.0664 -7.0664 -6.9013 -6.9013 -6.8373 -6.8373 -5.7627 -5.7627 -5.6887 -5.6887 -5.4334 -5.4334 -5.4204 -5.4204 -3.9945 -3.9945 -3.9836 -3.9836 -3.9364 -3.9364 -3.8212 -3.8212 -3.5899 -3.5899 -3.4393 -3.4393 -3.3793 -3.3793 -3.3440 -3.3440 -3.2771 -3.2771 -3.1365 -3.1365 -3.0394 -3.0394 -3.0316 -3.0316 4.3195 4.3195 4.3562 4.3562 4.7459 4.7459 4.8283 4.8283 5.0737 5.0737 5.1708 5.1708 k = 0.0000 1.0313-0.0306 ( 9442 PWs) bands (ev): -17.9578 -17.9578 -17.9349 -17.9349 -17.9156 -17.9156 -17.8877 -17.8877 -14.3843 -14.3843 -14.3294 -14.3294 -14.3102 -14.3102 -14.2536 -14.2536 -8.1263 -8.1263 -8.0442 -8.0442 -8.0036 -8.0036 -7.9506 -7.9506 -7.0658 -7.0658 -7.0657 -7.0657 -6.8996 -6.8996 -6.8375 -6.8375 -5.7628 -5.7628 -5.6921 -5.6921 -5.4347 -5.4347 -5.4194 -5.4194 -3.9984 -3.9984 -3.9803 -3.9803 -3.9331 -3.9331 -3.8249 -3.8249 -3.5852 -3.5852 -3.4404 -3.4404 -3.3851 -3.3851 -3.3444 -3.3444 -3.2723 -3.2723 -3.1432 -3.1432 -3.0378 -3.0378 -3.0278 -3.0278 4.3282 4.3282 4.3614 4.3614 4.7488 4.7488 4.8246 4.8246 5.0717 5.0717 5.1715 5.1715 k = 0.0000 1.0357-0.0058 ( 9433 PWs) bands (ev): -17.9572 -17.9572 -17.9355 -17.9355 -17.9151 -17.9151 -17.8882 -17.8882 -14.3831 -14.3831 -14.3279 -14.3279 -14.3114 -14.3114 -14.2552 -14.2552 -8.1262 -8.1262 -8.0415 -8.0415 -8.0083 -8.0083 -7.9492 -7.9492 -7.0651 -7.0651 -7.0632 -7.0632 -6.8977 -6.8977 -6.8377 -6.8377 -5.7627 -5.7627 -5.6960 -5.6960 -5.4363 -5.4363 -5.4183 -5.4183 -4.0020 -4.0020 -3.9764 -3.9764 -3.9299 -3.9299 -3.8290 -3.8290 -3.5800 -3.5800 -3.4419 -3.4419 -3.3909 -3.3909 -3.3447 -3.3447 -3.2675 -3.2675 -3.1502 -3.1502 -3.0361 -3.0361 -3.0240 -3.0240 4.3382 4.3382 4.3675 4.3675 4.7519 4.7519 4.8202 4.8202 5.0698 5.0698 5.1724 5.1724 k = 0.0000 1.0401 0.0189 ( 9436 PWs) bands (ev): -17.9566 -17.9566 -17.9362 -17.9362 -17.9145 -17.9145 -17.8888 -17.8888 -14.3818 -14.3818 -14.3262 -14.3262 -14.3128 -14.3128 -14.2570 -14.2570 -8.1260 -8.1260 -8.0386 -8.0386 -8.0132 -8.0132 -7.9481 -7.9481 -7.0642 -7.0642 -7.0604 -7.0604 -6.8955 -6.8955 -6.8380 -6.8380 -5.7624 -5.7624 -5.7005 -5.7005 -5.4380 -5.4380 -5.4170 -5.4170 -4.0052 -4.0052 -3.9722 -3.9722 -3.9269 -3.9269 -3.8335 -3.8335 -3.5741 -3.5741 -3.4440 -3.4440 -3.3965 -3.3965 -3.3451 -3.3451 -3.2629 -3.2629 -3.1574 -3.1574 -3.0341 -3.0341 -3.0203 -3.0203 4.3495 4.3495 4.3744 4.3744 4.7548 4.7548 4.8151 4.8151 5.0681 5.0681 5.1736 5.1736 k = 0.0000 1.0445 0.0436 ( 9437 PWs) bands (ev): -17.9559 -17.9559 -17.9371 -17.9371 -17.9138 -17.9138 -17.8895 -17.8895 -14.3804 -14.3804 -14.3244 -14.3244 -14.3144 -14.3144 -14.2591 -14.2591 -8.1257 -8.1257 -8.0353 -8.0353 -8.0182 -8.0182 -7.9473 -7.9473 -7.0633 -7.0633 -7.0574 -7.0574 -6.8930 -6.8930 -6.8384 -6.8384 -5.7620 -5.7620 -5.7055 -5.7055 -5.4399 -5.4399 -5.4155 -5.4155 -4.0080 -4.0080 -3.9678 -3.9678 -3.9241 -3.9241 -3.8385 -3.8385 -3.5677 -3.5677 -3.4467 -3.4467 -3.4019 -3.4019 -3.3454 -3.3454 -3.2587 -3.2587 -3.1647 -3.1647 -3.0318 -3.0318 -3.0169 -3.0169 4.3619 4.3619 4.3820 4.3820 4.7574 4.7574 4.8093 4.8093 5.0668 5.0668 5.1752 5.1752 k = 0.0000 1.0489 0.0684 ( 9438 PWs) bands (ev): -17.9552 -17.9552 -17.9379 -17.9379 -17.9131 -17.9131 -17.8903 -17.8903 -14.3788 -14.3788 -14.3224 -14.3224 -14.3161 -14.3161 -14.2613 -14.2613 -8.1252 -8.1252 -8.0318 -8.0318 -8.0233 -8.0233 -7.9468 -7.9468 -7.0623 -7.0623 -7.0543 -7.0543 -6.8904 -6.8904 -6.8389 -6.8389 -5.7613 -5.7613 -5.7110 -5.7110 -5.4420 -5.4420 -5.4140 -5.4140 -4.0102 -4.0102 -3.9630 -3.9630 -3.9215 -3.9215 -3.8437 -3.8437 -3.5608 -3.5608 -3.4500 -3.4500 -3.4068 -3.4068 -3.3458 -3.3458 -3.2548 -3.2548 -3.1717 -3.1717 -3.0294 -3.0294 -3.0137 -3.0137 4.3753 4.3753 4.3902 4.3902 4.7595 4.7595 4.8029 4.8029 5.0660 5.0660 5.1775 5.1775 k = 0.0000 1.0533 0.0931 ( 9429 PWs) bands (ev): -17.9544 -17.9544 -17.9389 -17.9389 -17.9123 -17.9123 -17.8911 -17.8911 -14.3770 -14.3770 -14.3204 -14.3204 -14.3178 -14.3178 -14.2638 -14.2638 -8.1245 -8.1245 -8.0284 -8.0284 -8.0281 -8.0281 -7.9467 -7.9467 -7.0613 -7.0613 -7.0510 -7.0510 -6.8876 -6.8876 -6.8394 -6.8394 -5.7603 -5.7603 -5.7169 -5.7169 -5.4442 -5.4442 -5.4124 -5.4124 -4.0118 -4.0118 -3.9582 -3.9582 -3.9191 -3.9191 -3.8492 -3.8492 -3.5535 -3.5535 -3.4541 -3.4541 -3.4111 -3.4111 -3.3464 -3.3464 -3.2513 -3.2513 -3.1786 -3.1786 -3.0267 -3.0267 -3.0109 -3.0109 4.3895 4.3895 4.3990 4.3990 4.7609 4.7609 4.7959 4.7959 5.0657 5.0657 5.1794 5.1794 k = 0.0000 1.0578 0.1179 ( 9423 PWs) bands (ev): -17.9535 -17.9535 -17.9399 -17.9399 -17.9114 -17.9114 -17.8919 -17.8919 -14.3751 -14.3751 -14.3204 -14.3204 -14.3174 -14.3174 -14.2663 -14.2663 -8.1236 -8.1236 -8.0334 -8.0334 -8.0242 -8.0242 -7.9470 -7.9470 -7.0602 -7.0602 -7.0478 -7.0478 -6.8847 -6.8847 -6.8402 -6.8402 -5.7590 -5.7590 -5.7233 -5.7233 -5.4465 -5.4465 -5.4106 -5.4106 -4.0126 -4.0126 -3.9533 -3.9533 -3.9169 -3.9169 -3.8550 -3.8550 -3.5459 -3.5459 -3.4587 -3.4587 -3.4148 -3.4148 -3.3472 -3.3472 -3.2483 -3.2483 -3.1850 -3.1850 -3.0238 -3.0238 -3.0084 -3.0084 4.4042 4.4042 4.4083 4.4083 4.7613 4.7613 4.7883 4.7883 5.0660 5.0660 5.1730 5.1730 k = 0.0000 1.0622 0.1426 ( 9423 PWs) bands (ev): -17.9526 -17.9526 -17.9410 -17.9410 -17.9105 -17.9105 -17.8929 -17.8929 -14.3731 -14.3731 -14.3224 -14.3224 -14.3151 -14.3151 -14.2691 -14.2691 -8.1225 -8.1225 -8.0384 -8.0384 -8.0201 -8.0201 -7.9477 -7.9477 -7.0590 -7.0590 -7.0445 -7.0445 -6.8817 -6.8817 -6.8410 -6.8410 -5.7573 -5.7573 -5.7299 -5.7299 -5.4489 -5.4489 -5.4089 -5.4089 -4.0127 -4.0127 -3.9485 -3.9485 -3.9150 -3.9150 -3.8609 -3.8609 -3.5381 -3.5381 -3.4640 -3.4640 -3.4178 -3.4178 -3.3484 -3.3484 -3.2456 -3.2456 -3.1910 -3.1910 -3.0208 -3.0208 -3.0063 -3.0063 4.4174 4.4174 4.4197 4.4197 4.7607 4.7607 4.7803 4.7803 5.0666 5.0666 5.1656 5.1656 k = 0.0000 1.0666 0.1673 ( 9423 PWs) bands (ev): -17.9517 -17.9517 -17.9421 -17.9421 -17.9096 -17.9096 -17.8938 -17.8938 -14.3710 -14.3710 -14.3247 -14.3247 -14.3125 -14.3125 -14.2720 -14.2720 -8.1211 -8.1211 -8.0434 -8.0434 -8.0159 -8.0159 -7.9487 -7.9487 -7.0579 -7.0579 -7.0413 -7.0413 -6.8786 -6.8786 -6.8420 -6.8420 -5.7552 -5.7552 -5.7368 -5.7368 -5.4514 -5.4514 -5.4071 -5.4071 -4.0121 -4.0121 -3.9438 -3.9438 -3.9132 -3.9132 -3.8669 -3.8669 -3.5300 -3.5300 -3.4699 -3.4699 -3.4201 -3.4201 -3.3500 -3.3500 -3.2434 -3.2434 -3.1964 -3.1964 -3.0176 -3.0176 -3.0046 -3.0046 4.4272 4.4272 4.4348 4.4348 4.7592 4.7592 4.7719 4.7719 5.0677 5.0677 5.1579 5.1579 k = 0.5000 0.9432 0.5253 ( 9440 PWs) bands (ev): -17.9467 -17.9467 -17.9467 -17.9467 -17.9019 -17.9019 -17.9019 -17.9019 -14.3423 -14.3423 -14.3423 -14.3423 -14.2985 -14.2985 -14.2985 -14.2985 -8.0814 -8.0814 -8.0813 -8.0813 -7.9746 -7.9746 -7.9745 -7.9745 -7.0259 -7.0259 -7.0257 -7.0257 -6.9040 -6.9040 -6.9036 -6.9036 -5.6037 -5.6037 -5.6031 -5.6031 -5.5693 -5.5693 -5.5689 -5.5689 -3.9368 -3.9368 -3.9363 -3.9363 -3.8936 -3.8936 -3.8928 -3.8928 -3.4925 -3.4925 -3.4910 -3.4910 -3.4499 -3.4499 -3.4466 -3.4466 -3.2333 -3.2333 -3.2318 -3.2318 -2.9843 -2.9843 -2.9805 -2.9805 4.5290 4.5290 4.5296 4.5296 4.7999 4.7999 4.8021 4.8021 5.0428 5.0428 5.0431 5.0431 k = 0.5000 0.9170 0.5253 ( 9438 PWs) bands (ev): -17.9470 -17.9470 -17.9470 -17.9470 -17.9023 -17.9023 -17.9023 -17.9023 -14.3432 -14.3432 -14.3432 -14.3432 -14.2988 -14.2988 -14.2988 -14.2988 -8.0816 -8.0816 -8.0816 -8.0816 -7.9722 -7.9722 -7.9721 -7.9721 -7.0231 -7.0231 -7.0229 -7.0229 -6.8998 -6.8998 -6.8993 -6.8993 -5.6046 -5.6046 -5.6041 -5.6041 -5.5717 -5.5717 -5.5714 -5.5714 -3.9390 -3.9390 -3.9384 -3.9384 -3.8917 -3.8917 -3.8908 -3.8908 -3.4892 -3.4892 -3.4872 -3.4872 -3.4497 -3.4497 -3.4461 -3.4461 -3.2343 -3.2343 -3.2328 -3.2328 -2.9833 -2.9833 -2.9796 -2.9796 4.5332 4.5332 4.5339 4.5339 4.7975 4.7975 4.7998 4.7998 5.0431 5.0431 5.0435 5.0435 k = 0.5000 0.8908 0.5253 ( 9440 PWs) bands (ev): -17.9475 -17.9475 -17.9475 -17.9475 -17.9027 -17.9027 -17.9027 -17.9027 -14.3444 -14.3444 -14.3444 -14.3444 -14.2994 -14.2994 -14.2994 -14.2994 -8.0815 -8.0815 -8.0815 -8.0815 -7.9694 -7.9694 -7.9693 -7.9693 -7.0189 -7.0189 -7.0187 -7.0187 -6.8944 -6.8944 -6.8939 -6.8939 -5.6112 -5.6112 -5.6109 -5.6109 -5.5695 -5.5695 -5.5694 -5.5694 -3.9410 -3.9410 -3.9404 -3.9404 -3.8894 -3.8894 -3.8885 -3.8885 -3.4862 -3.4862 -3.4839 -3.4839 -3.4482 -3.4482 -3.4443 -3.4443 -3.2352 -3.2352 -3.2337 -3.2337 -2.9824 -2.9824 -2.9787 -2.9787 4.5382 4.5382 4.5389 4.5389 4.7952 4.7952 4.7976 4.7976 5.0427 5.0427 5.0431 5.0431 k = 0.5000 0.8646 0.5253 ( 9430 PWs) bands (ev): -17.9481 -17.9481 -17.9481 -17.9481 -17.9033 -17.9033 -17.9033 -17.9033 -14.3457 -14.3457 -14.3457 -14.3457 -14.3002 -14.3002 -14.3002 -14.3002 -8.0811 -8.0811 -8.0810 -8.0810 -7.9663 -7.9663 -7.9663 -7.9663 -7.0134 -7.0134 -7.0132 -7.0132 -6.8878 -6.8878 -6.8873 -6.8873 -5.6210 -5.6210 -5.6208 -5.6208 -5.5655 -5.5655 -5.5655 -5.5655 -3.9428 -3.9428 -3.9422 -3.9422 -3.8869 -3.8869 -3.8860 -3.8860 -3.4835 -3.4835 -3.4811 -3.4811 -3.4453 -3.4453 -3.4413 -3.4413 -3.2360 -3.2360 -3.2344 -3.2344 -2.9816 -2.9816 -2.9779 -2.9779 4.5439 4.5439 4.5447 4.5447 4.7929 4.7929 4.7954 4.7954 5.0414 5.0414 5.0419 5.0419 k = 0.5000 0.8384 0.5253 ( 9426 PWs) bands (ev): -17.9488 -17.9488 -17.9488 -17.9488 -17.9039 -17.9039 -17.9039 -17.9039 -14.3472 -14.3472 -14.3472 -14.3472 -14.3011 -14.3011 -14.3011 -14.3011 -8.0802 -8.0802 -8.0802 -8.0802 -7.9631 -7.9631 -7.9630 -7.9630 -7.0066 -7.0066 -7.0064 -7.0064 -6.8801 -6.8801 -6.8796 -6.8796 -5.6324 -5.6324 -5.6323 -5.6323 -5.5612 -5.5612 -5.5612 -5.5612 -3.9444 -3.9444 -3.9438 -3.9438 -3.8842 -3.8842 -3.8833 -3.8833 -3.4812 -3.4812 -3.4787 -3.4787 -3.4410 -3.4410 -3.4371 -3.4371 -3.2366 -3.2366 -3.2350 -3.2350 -2.9809 -2.9809 -2.9773 -2.9773 4.5503 4.5503 4.5512 4.5512 4.7905 4.7905 4.7931 4.7931 5.0392 5.0392 5.0397 5.0397 k = 0.5000 0.8122 0.5253 ( 9420 PWs) bands (ev): -17.9497 -17.9497 -17.9497 -17.9497 -17.9046 -17.9046 -17.9046 -17.9046 -14.3489 -14.3489 -14.3489 -14.3489 -14.3023 -14.3023 -14.3023 -14.3023 -8.0790 -8.0790 -8.0789 -8.0789 -7.9596 -7.9596 -7.9596 -7.9596 -6.9985 -6.9985 -6.9983 -6.9983 -6.8712 -6.8712 -6.8708 -6.8708 -5.6445 -5.6445 -5.6445 -5.6445 -5.5572 -5.5572 -5.5572 -5.5572 -3.9458 -3.9458 -3.9451 -3.9451 -3.8814 -3.8814 -3.8804 -3.8804 -3.4791 -3.4791 -3.4767 -3.4767 -3.4357 -3.4357 -3.4320 -3.4320 -3.2371 -3.2371 -3.2354 -3.2354 -2.9803 -2.9803 -2.9767 -2.9767 4.5574 4.5574 4.5583 4.5583 4.7880 4.7880 4.7907 4.7907 5.0361 5.0361 5.0367 5.0367 k = 0.5000 0.7860 0.5253 ( 9426 PWs) bands (ev): -17.9507 -17.9507 -17.9507 -17.9507 -17.9054 -17.9054 -17.9054 -17.9054 -14.3507 -14.3507 -14.3507 -14.3507 -14.3037 -14.3037 -14.3037 -14.3037 -8.0775 -8.0775 -8.0774 -8.0774 -7.9561 -7.9561 -7.9560 -7.9560 -6.9892 -6.9892 -6.9890 -6.9890 -6.8613 -6.8613 -6.8609 -6.8609 -5.6572 -5.6572 -5.6572 -5.6572 -5.5538 -5.5538 -5.5538 -5.5538 -3.9469 -3.9469 -3.9462 -3.9462 -3.8784 -3.8784 -3.8775 -3.8775 -3.4770 -3.4770 -3.4747 -3.4747 -3.4296 -3.4296 -3.4261 -3.4261 -3.2374 -3.2374 -3.2357 -3.2357 -2.9798 -2.9798 -2.9763 -2.9763 4.5651 4.5651 4.5660 4.5660 4.7853 4.7853 4.7882 4.7882 5.0320 5.0320 5.0326 5.0326 k = 0.5000 0.7598 0.5253 ( 9434 PWs) bands (ev): -17.9518 -17.9518 -17.9518 -17.9518 -17.9062 -17.9062 -17.9062 -17.9062 -14.3528 -14.3528 -14.3528 -14.3528 -14.3053 -14.3053 -14.3053 -14.3053 -8.0755 -8.0755 -8.0754 -8.0754 -7.9524 -7.9524 -7.9524 -7.9524 -6.9786 -6.9786 -6.9784 -6.9784 -6.8504 -6.8504 -6.8500 -6.8500 -5.6703 -5.6703 -5.6703 -5.6703 -5.5511 -5.5511 -5.5511 -5.5511 -3.9477 -3.9477 -3.9470 -3.9470 -3.8754 -3.8754 -3.8745 -3.8745 -3.4748 -3.4748 -3.4727 -3.4727 -3.4229 -3.4229 -3.4196 -3.4196 -3.2375 -3.2375 -3.2359 -3.2359 -2.9795 -2.9795 -2.9760 -2.9760 4.5733 4.5733 4.5742 4.5742 4.7825 4.7825 4.7854 4.7854 5.0268 5.0268 5.0275 5.0275 k = 0.5000 0.7336 0.5253 ( 9432 PWs) bands (ev): -17.9531 -17.9531 -17.9531 -17.9531 -17.9071 -17.9071 -17.9071 -17.9071 -14.3549 -14.3549 -14.3549 -14.3549 -14.3071 -14.3071 -14.3071 -14.3071 -8.0732 -8.0732 -8.0732 -8.0732 -7.9487 -7.9487 -7.9487 -7.9487 -6.9669 -6.9669 -6.9667 -6.9667 -6.8385 -6.8385 -6.8380 -6.8380 -5.6836 -5.6836 -5.6835 -5.6835 -5.5491 -5.5491 -5.5491 -5.5491 -3.9483 -3.9483 -3.9476 -3.9476 -3.8724 -3.8724 -3.8714 -3.8714 -3.4724 -3.4724 -3.4705 -3.4705 -3.4158 -3.4158 -3.4127 -3.4127 -3.2374 -3.2374 -3.2358 -3.2358 -2.9792 -2.9792 -2.9759 -2.9759 4.5820 4.5820 4.5830 4.5830 4.7792 4.7792 4.7823 4.7823 5.0205 5.0205 5.0213 5.0213 k = 0.5000 0.7074 0.5253 ( 9428 PWs) bands (ev): -17.9544 -17.9544 -17.9544 -17.9544 -17.9081 -17.9081 -17.9081 -17.9081 -14.3572 -14.3572 -14.3572 -14.3572 -14.3090 -14.3090 -14.3090 -14.3090 -8.0706 -8.0706 -8.0706 -8.0706 -7.9451 -7.9451 -7.9450 -7.9450 -6.9540 -6.9540 -6.9538 -6.9538 -6.8256 -6.8256 -6.8252 -6.8252 -5.6970 -5.6970 -5.6969 -5.6969 -5.5478 -5.5478 -5.5478 -5.5478 -3.9485 -3.9485 -3.9479 -3.9479 -3.8694 -3.8694 -3.8684 -3.8684 -3.4699 -3.4699 -3.4681 -3.4681 -3.4084 -3.4084 -3.4056 -3.4056 -3.2371 -3.2371 -3.2355 -3.2355 -2.9791 -2.9791 -2.9758 -2.9758 4.5911 4.5911 4.5922 4.5922 4.7756 4.7756 4.7787 4.7787 5.0130 5.0130 5.0139 5.0139 k = 0.5000 0.6812 0.5253 ( 9432 PWs) bands (ev): -17.9558 -17.9558 -17.9558 -17.9558 -17.9091 -17.9091 -17.9091 -17.9091 -14.3596 -14.3596 -14.3596 -14.3596 -14.3111 -14.3111 -14.3111 -14.3111 -8.0677 -8.0677 -8.0676 -8.0676 -7.9414 -7.9414 -7.9414 -7.9414 -6.9401 -6.9401 -6.9398 -6.9398 -6.8119 -6.8119 -6.8115 -6.8115 -5.7105 -5.7105 -5.7104 -5.7104 -5.5472 -5.5472 -5.5472 -5.5472 -3.9486 -3.9486 -3.9479 -3.9479 -3.8664 -3.8664 -3.8655 -3.8655 -3.4670 -3.4670 -3.4654 -3.4654 -3.4009 -3.4009 -3.3983 -3.3983 -3.2366 -3.2366 -3.2350 -3.2350 -2.9791 -2.9791 -2.9760 -2.9760 4.6006 4.6006 4.6017 4.6017 4.7714 4.7714 4.7747 4.7747 5.0042 5.0042 5.0052 5.0052 k = 0.5000 0.6550 0.5253 ( 9416 PWs) bands (ev): -17.9574 -17.9574 -17.9574 -17.9574 -17.9102 -17.9102 -17.9102 -17.9102 -14.3620 -14.3620 -14.3620 -14.3620 -14.3133 -14.3133 -14.3133 -14.3133 -8.0646 -8.0646 -8.0645 -8.0645 -7.9379 -7.9379 -7.9379 -7.9379 -6.9251 -6.9251 -6.9248 -6.9248 -6.7974 -6.7974 -6.7970 -6.7970 -5.7239 -5.7239 -5.7239 -5.7239 -5.5473 -5.5473 -5.5473 -5.5473 -3.9483 -3.9483 -3.9477 -3.9477 -3.8635 -3.8635 -3.8626 -3.8626 -3.4639 -3.4639 -3.4625 -3.4625 -3.3934 -3.3934 -3.3910 -3.3910 -3.2357 -3.2357 -3.2342 -3.2342 -2.9793 -2.9793 -2.9762 -2.9762 4.6104 4.6104 4.6116 4.6116 4.7667 4.7667 4.7700 4.7700 4.9940 4.9940 4.9951 4.9951 k = 0.5000 0.6288 0.5253 ( 9420 PWs) bands (ev): -17.9589 -17.9589 -17.9589 -17.9589 -17.9113 -17.9113 -17.9113 -17.9113 -14.3646 -14.3646 -14.3646 -14.3646 -14.3156 -14.3156 -14.3156 -14.3156 -8.0611 -8.0611 -8.0610 -8.0610 -7.9344 -7.9344 -7.9344 -7.9344 -6.9092 -6.9092 -6.9089 -6.9089 -6.7821 -6.7821 -6.7818 -6.7818 -5.7374 -5.7374 -5.7373 -5.7373 -5.5481 -5.5481 -5.5481 -5.5481 -3.9479 -3.9479 -3.9473 -3.9473 -3.8607 -3.8607 -3.8598 -3.8598 -3.4607 -3.4607 -3.4594 -3.4594 -3.3859 -3.3859 -3.3838 -3.3838 -3.2346 -3.2346 -3.2332 -3.2332 -2.9796 -2.9796 -2.9766 -2.9766 4.6203 4.6203 4.6216 4.6216 4.7612 4.7612 4.7647 4.7647 4.9823 4.9823 4.9836 4.9836 k = 0.5000 0.6026 0.5253 ( 9418 PWs) bands (ev): -17.9606 -17.9606 -17.9606 -17.9606 -17.9124 -17.9124 -17.9124 -17.9124 -14.3672 -14.3672 -14.3672 -14.3672 -14.3180 -14.3180 -14.3180 -14.3180 -8.0575 -8.0575 -8.0574 -8.0574 -7.9311 -7.9311 -7.9311 -7.9311 -6.8924 -6.8924 -6.8922 -6.8922 -6.7663 -6.7663 -6.7659 -6.7659 -5.7507 -5.7507 -5.7506 -5.7506 -5.5495 -5.5495 -5.5494 -5.5494 -3.9472 -3.9472 -3.9467 -3.9467 -3.8580 -3.8580 -3.8572 -3.8572 -3.4572 -3.4572 -3.4560 -3.4560 -3.3786 -3.3786 -3.3766 -3.3766 -3.2332 -3.2332 -3.2318 -3.2318 -2.9801 -2.9801 -2.9772 -2.9772 4.6304 4.6304 4.6317 4.6317 4.7549 4.7549 4.7585 4.7585 4.9691 4.9691 4.9705 4.9705 k = 0.5000 0.5764 0.5253 ( 9422 PWs) bands (ev): -17.9623 -17.9623 -17.9623 -17.9623 -17.9136 -17.9136 -17.9136 -17.9136 -14.3699 -14.3699 -14.3699 -14.3699 -14.3205 -14.3205 -14.3205 -14.3205 -8.0537 -8.0537 -8.0536 -8.0536 -7.9280 -7.9280 -7.9280 -7.9280 -6.8749 -6.8749 -6.8747 -6.8747 -6.7498 -6.7498 -6.7494 -6.7494 -5.7638 -5.7638 -5.7637 -5.7637 -5.5514 -5.5514 -5.5514 -5.5514 -3.9463 -3.9463 -3.9459 -3.9459 -3.8555 -3.8555 -3.8547 -3.8547 -3.4535 -3.4535 -3.4526 -3.4526 -3.3714 -3.3714 -3.3697 -3.3697 -3.2314 -3.2314 -3.2301 -3.2301 -2.9807 -2.9807 -2.9779 -2.9779 4.6404 4.6404 4.6418 4.6418 4.7479 4.7479 4.7516 4.7516 4.9543 4.9543 4.9559 4.9559 k = 0.5000 0.5502 0.5253 ( 9416 PWs) bands (ev): -17.9640 -17.9640 -17.9640 -17.9640 -17.9148 -17.9148 -17.9148 -17.9148 -14.3725 -14.3725 -14.3725 -14.3725 -14.3231 -14.3231 -14.3231 -14.3231 -8.0497 -8.0497 -8.0496 -8.0496 -7.9250 -7.9250 -7.9250 -7.9250 -6.8568 -6.8568 -6.8565 -6.8565 -6.7329 -6.7329 -6.7325 -6.7325 -5.7767 -5.7767 -5.7766 -5.7766 -5.5539 -5.5539 -5.5538 -5.5538 -3.9453 -3.9453 -3.9449 -3.9449 -3.8531 -3.8531 -3.8525 -3.8525 -3.4498 -3.4498 -3.4491 -3.4491 -3.3644 -3.3644 -3.3629 -3.3629 -3.2292 -3.2292 -3.2281 -3.2281 -2.9814 -2.9814 -2.9788 -2.9788 4.6502 4.6502 4.6517 4.6517 4.7402 4.7402 4.7439 4.7439 4.9380 4.9380 4.9397 4.9397 k = 0.5000 0.5240 0.5253 ( 9424 PWs) bands (ev): -17.9657 -17.9657 -17.9657 -17.9657 -17.9160 -17.9160 -17.9160 -17.9160 -14.3753 -14.3753 -14.3753 -14.3753 -14.3257 -14.3257 -14.3257 -14.3257 -8.0456 -8.0456 -8.0455 -8.0455 -7.9223 -7.9223 -7.9223 -7.9223 -6.8381 -6.8381 -6.8378 -6.8378 -6.7156 -6.7156 -6.7152 -6.7152 -5.7894 -5.7894 -5.7892 -5.7892 -5.5568 -5.5568 -5.5567 -5.5567 -3.9441 -3.9441 -3.9438 -3.9438 -3.8510 -3.8510 -3.8504 -3.8504 -3.4461 -3.4461 -3.4455 -3.4455 -3.3577 -3.3577 -3.3565 -3.3565 -3.2267 -3.2267 -3.2257 -3.2257 -2.9822 -2.9822 -2.9798 -2.9798 4.6596 4.6596 4.6611 4.6611 4.7319 4.7319 4.7356 4.7356 4.9203 4.9203 4.9221 4.9221 k = 0.5000 0.4978 0.5253 ( 9428 PWs) bands (ev): -17.9674 -17.9674 -17.9674 -17.9674 -17.9172 -17.9172 -17.9172 -17.9172 -14.3779 -14.3779 -14.3779 -14.3779 -14.3283 -14.3283 -14.3283 -14.3283 -8.0414 -8.0414 -8.0413 -8.0413 -7.9197 -7.9197 -7.9197 -7.9197 -6.8189 -6.8189 -6.8187 -6.8187 -6.6980 -6.6980 -6.6977 -6.6977 -5.8017 -5.8017 -5.8016 -5.8016 -5.5601 -5.5601 -5.5600 -5.5600 -3.9428 -3.9428 -3.9426 -3.9426 -3.8490 -3.8490 -3.8485 -3.8485 -3.4424 -3.4424 -3.4420 -3.4420 -3.3513 -3.3513 -3.3503 -3.3503 -3.2239 -3.2239 -3.2230 -3.2230 -2.9832 -2.9832 -2.9809 -2.9809 4.6681 4.6681 4.6696 4.6696 4.7234 4.7234 4.7271 4.7271 4.9015 4.9015 4.9033 4.9033 k = 0.5000 0.4716 0.5253 ( 9428 PWs) bands (ev): -17.9692 -17.9692 -17.9692 -17.9692 -17.9184 -17.9184 -17.9184 -17.9184 -14.3806 -14.3806 -14.3806 -14.3806 -14.3309 -14.3309 -14.3309 -14.3309 -8.0372 -8.0372 -8.0371 -8.0371 -7.9174 -7.9174 -7.9174 -7.9174 -6.7995 -6.7995 -6.7992 -6.7992 -6.6802 -6.6802 -6.6799 -6.6799 -5.8137 -5.8137 -5.8135 -5.8135 -5.5638 -5.5638 -5.5637 -5.5637 -3.9415 -3.9415 -3.9413 -3.9413 -3.8473 -3.8473 -3.8468 -3.8468 -3.4387 -3.4387 -3.4386 -3.4386 -3.3451 -3.3451 -3.3444 -3.3444 -3.2207 -3.2207 -3.2199 -3.2199 -2.9843 -2.9843 -2.9821 -2.9821 4.6748 4.6748 4.6758 4.6758 4.7160 4.7160 4.7193 4.7193 4.8818 4.8818 4.8837 4.8837 k = 0.5000 0.4454 0.5253 ( 9432 PWs) bands (ev): -17.9709 -17.9709 -17.9709 -17.9709 -17.9196 -17.9196 -17.9196 -17.9196 -14.3832 -14.3832 -14.3832 -14.3832 -14.3336 -14.3336 -14.3336 -14.3336 -8.0329 -8.0329 -8.0328 -8.0328 -7.9153 -7.9153 -7.9153 -7.9153 -6.7799 -6.7799 -6.7796 -6.7796 -6.6625 -6.6625 -6.6622 -6.6622 -5.8253 -5.8253 -5.8251 -5.8251 -5.5677 -5.5677 -5.5676 -5.5676 -3.9400 -3.9400 -3.9399 -3.9399 -3.8458 -3.8458 -3.8453 -3.8453 -3.4353 -3.4353 -3.4352 -3.4352 -3.3393 -3.3393 -3.3388 -3.3388 -3.2173 -3.2173 -3.2166 -3.2166 -2.9855 -2.9855 -2.9835 -2.9835 4.6773 4.6773 4.6774 4.6774 4.7123 4.7123 4.7144 4.7144 4.8616 4.8616 4.8635 4.8635 k = 0.5000 0.4192 0.5253 ( 9434 PWs) bands (ev): -17.9726 -17.9726 -17.9726 -17.9726 -17.9207 -17.9207 -17.9207 -17.9207 -14.3858 -14.3858 -14.3858 -14.3858 -14.3362 -14.3362 -14.3362 -14.3362 -8.0287 -8.0287 -8.0286 -8.0286 -7.9134 -7.9134 -7.9134 -7.9134 -6.7603 -6.7603 -6.7600 -6.7600 -6.6447 -6.6447 -6.6444 -6.6444 -5.8364 -5.8364 -5.8362 -5.8362 -5.5719 -5.5719 -5.5717 -5.5717 -3.9385 -3.9385 -3.9385 -3.9385 -3.8444 -3.8444 -3.8441 -3.8441 -3.4321 -3.4321 -3.4319 -3.4319 -3.3338 -3.3338 -3.3335 -3.3335 -3.2135 -3.2135 -3.2130 -3.2130 -2.9868 -2.9868 -2.9850 -2.9850 4.6720 4.6720 4.6736 4.6736 4.7140 4.7140 4.7145 4.7145 4.8414 4.8414 4.8433 4.8433 k = 0.5000 0.3930 0.5253 ( 9438 PWs) bands (ev): -17.9743 -17.9743 -17.9743 -17.9743 -17.9219 -17.9219 -17.9219 -17.9219 -14.3883 -14.3883 -14.3883 -14.3883 -14.3387 -14.3387 -14.3387 -14.3387 -8.0245 -8.0245 -8.0244 -8.0244 -7.9118 -7.9118 -7.9117 -7.9117 -6.7408 -6.7408 -6.7405 -6.7405 -6.6272 -6.6272 -6.6269 -6.6269 -5.8471 -5.8471 -5.8469 -5.8469 -5.5762 -5.5762 -5.5760 -5.5760 -3.9371 -3.9371 -3.9370 -3.9370 -3.8433 -3.8433 -3.8430 -3.8430 -3.4292 -3.4292 -3.4288 -3.4288 -3.3286 -3.3286 -3.3286 -3.3286 -3.2096 -3.2096 -3.2092 -3.2092 -2.9882 -2.9882 -2.9865 -2.9865 4.6623 4.6623 4.6649 4.6649 4.7181 4.7181 4.7187 4.7187 4.8218 4.8218 4.8238 4.8238 k = 0.5000 0.3668 0.5253 ( 9436 PWs) bands (ev): -17.9759 -17.9759 -17.9759 -17.9759 -17.9230 -17.9230 -17.9230 -17.9230 -14.3908 -14.3908 -14.3908 -14.3908 -14.3412 -14.3412 -14.3412 -14.3412 -8.0204 -8.0204 -8.0203 -8.0203 -7.9103 -7.9103 -7.9103 -7.9103 -6.7215 -6.7215 -6.7212 -6.7212 -6.6100 -6.6100 -6.6098 -6.6098 -5.8573 -5.8573 -5.8571 -5.8571 -5.5806 -5.5806 -5.5805 -5.5805 -3.9357 -3.9357 -3.9355 -3.9355 -3.8424 -3.8424 -3.8422 -3.8422 -3.4266 -3.4266 -3.4259 -3.4259 -3.3239 -3.3239 -3.3237 -3.3237 -3.2055 -3.2055 -3.2053 -3.2053 -2.9896 -2.9896 -2.9881 -2.9881 4.6506 4.6506 4.6536 4.6536 4.7221 4.7221 4.7233 4.7233 4.8040 4.8040 4.8060 4.8060 k = 0.5000 0.3406 0.5253 ( 9446 PWs) bands (ev): -17.9774 -17.9774 -17.9774 -17.9774 -17.9241 -17.9241 -17.9241 -17.9241 -14.3931 -14.3931 -14.3931 -14.3931 -14.3435 -14.3435 -14.3435 -14.3435 -8.0164 -8.0164 -8.0163 -8.0163 -7.9091 -7.9091 -7.9091 -7.9091 -6.7027 -6.7027 -6.7024 -6.7024 -6.5933 -6.5933 -6.5930 -6.5930 -5.8669 -5.8669 -5.8667 -5.8667 -5.5851 -5.5851 -5.5849 -5.5849 -3.9343 -3.9343 -3.9339 -3.9339 -3.8417 -3.8417 -3.8416 -3.8416 -3.4241 -3.4241 -3.4233 -3.4233 -3.3196 -3.3196 -3.3191 -3.3191 -3.2013 -3.2013 -3.2013 -3.2013 -2.9911 -2.9911 -2.9898 -2.9898 4.6380 4.6380 4.6413 4.6413 4.7239 4.7239 4.7254 4.7254 4.7897 4.7897 4.7916 4.7916 k = 0.5000 0.3144 0.5253 ( 9444 PWs) bands (ev): -17.9789 -17.9789 -17.9789 -17.9789 -17.9251 -17.9251 -17.9251 -17.9251 -14.3953 -14.3953 -14.3953 -14.3953 -14.3458 -14.3458 -14.3458 -14.3458 -8.0125 -8.0125 -8.0124 -8.0124 -7.9081 -7.9081 -7.9080 -7.9080 -6.6844 -6.6844 -6.6841 -6.6841 -6.5771 -6.5771 -6.5769 -6.5769 -5.8760 -5.8760 -5.8758 -5.8758 -5.5896 -5.5896 -5.5894 -5.5894 -3.9329 -3.9329 -3.9325 -3.9325 -3.8412 -3.8412 -3.8411 -3.8411 -3.4220 -3.4220 -3.4209 -3.4209 -3.3155 -3.3155 -3.3148 -3.3148 -3.1972 -3.1972 -3.1971 -3.1971 -2.9926 -2.9926 -2.9915 -2.9915 4.6251 4.6251 4.6286 4.6286 4.7209 4.7209 4.7222 4.7222 4.7813 4.7813 4.7829 4.7829 k = 0.5000 0.2882 0.5253 ( 9454 PWs) bands (ev): -17.9803 -17.9803 -17.9803 -17.9803 -17.9261 -17.9261 -17.9261 -17.9261 -14.3974 -14.3974 -14.3974 -14.3974 -14.3480 -14.3480 -14.3480 -14.3480 -8.0088 -8.0088 -8.0087 -8.0087 -7.9072 -7.9072 -7.9072 -7.9072 -6.6669 -6.6669 -6.6665 -6.6665 -6.5616 -6.5616 -6.5615 -6.5615 -5.8845 -5.8845 -5.8843 -5.8843 -5.5939 -5.5939 -5.5937 -5.5937 -3.9316 -3.9316 -3.9310 -3.9310 -3.8408 -3.8408 -3.8408 -3.8408 -3.4201 -3.4201 -3.4189 -3.4189 -3.3118 -3.3118 -3.3109 -3.3109 -3.1932 -3.1932 -3.1929 -3.1929 -2.9941 -2.9941 -2.9931 -2.9931 4.6123 4.6123 4.6159 4.6159 4.7122 4.7122 4.7131 4.7131 4.7798 4.7798 4.7807 4.7807 k = 0.5000 0.2620 0.5253 ( 9462 PWs) bands (ev): -17.9816 -17.9816 -17.9816 -17.9816 -17.9270 -17.9270 -17.9270 -17.9270 -14.3994 -14.3994 -14.3994 -14.3994 -14.3500 -14.3500 -14.3500 -14.3500 -8.0053 -8.0053 -8.0052 -8.0052 -7.9065 -7.9065 -7.9065 -7.9065 -6.6502 -6.6502 -6.6498 -6.6498 -6.5470 -6.5470 -6.5469 -6.5469 -5.8923 -5.8923 -5.8921 -5.8921 -5.5982 -5.5982 -5.5979 -5.5979 -3.9303 -3.9303 -3.9297 -3.9297 -3.8407 -3.8407 -3.8406 -3.8406 -3.4184 -3.4184 -3.4171 -3.4171 -3.3083 -3.3083 -3.3072 -3.3072 -3.1893 -3.1893 -3.1888 -3.1888 -2.9955 -2.9955 -2.9948 -2.9948 4.5998 4.5998 4.6035 4.6035 4.6999 4.6999 4.7004 4.7004 4.7827 4.7827 4.7831 4.7831 k = 0.5000 0.2358 0.5253 ( 9460 PWs) bands (ev): -17.9828 -17.9828 -17.9828 -17.9828 -17.9279 -17.9279 -17.9279 -17.9279 -14.4012 -14.4012 -14.4012 -14.4012 -14.3519 -14.3519 -14.3519 -14.3519 -8.0020 -8.0020 -8.0019 -8.0019 -7.9060 -7.9060 -7.9059 -7.9059 -6.6345 -6.6345 -6.6342 -6.6342 -6.5334 -6.5334 -6.5332 -6.5332 -5.8996 -5.8996 -5.8993 -5.8993 -5.6022 -5.6022 -5.6020 -5.6020 -3.9291 -3.9291 -3.9284 -3.9284 -3.8407 -3.8407 -3.8405 -3.8405 -3.4169 -3.4169 -3.4155 -3.4155 -3.3051 -3.3051 -3.3039 -3.3039 -3.1855 -3.1855 -3.1849 -3.1849 -2.9970 -2.9970 -2.9964 -2.9964 4.5879 4.5879 4.5916 4.5916 4.6865 4.6865 4.6868 4.6868 4.7877 4.7877 4.7878 4.7878 k = 0.5000 0.2096 0.5253 ( 9454 PWs) bands (ev): -17.9839 -17.9839 -17.9839 -17.9839 -17.9286 -17.9286 -17.9286 -17.9286 -14.4028 -14.4028 -14.4028 -14.4028 -14.3536 -14.3536 -14.3536 -14.3536 -7.9989 -7.9989 -7.9988 -7.9988 -7.9056 -7.9056 -7.9055 -7.9055 -6.6200 -6.6200 -6.6197 -6.6197 -6.5208 -6.5208 -6.5207 -6.5207 -5.9061 -5.9061 -5.9058 -5.9058 -5.6060 -5.6060 -5.6058 -5.6058 -3.9280 -3.9280 -3.9272 -3.9272 -3.8408 -3.8408 -3.8405 -3.8405 -3.4157 -3.4157 -3.4142 -3.4142 -3.3023 -3.3023 -3.3008 -3.3008 -3.1820 -3.1820 -3.1812 -3.1812 -2.9983 -2.9983 -2.9979 -2.9979 4.5766 4.5766 4.5804 4.5804 4.6732 4.6732 4.6734 4.6734 4.7934 4.7934 4.7936 4.7936 k = 0.5000 0.1834 0.5253 ( 9464 PWs) bands (ev): -17.9849 -17.9849 -17.9849 -17.9849 -17.9293 -17.9293 -17.9293 -17.9293 -14.4043 -14.4043 -14.4043 -14.4043 -14.3551 -14.3551 -14.3551 -14.3551 -7.9961 -7.9961 -7.9960 -7.9960 -7.9053 -7.9053 -7.9053 -7.9053 -6.6069 -6.6069 -6.6065 -6.6065 -6.5094 -6.5094 -6.5093 -6.5093 -5.9119 -5.9119 -5.9117 -5.9117 -5.6095 -5.6095 -5.6092 -5.6092 -3.9270 -3.9270 -3.9261 -3.9261 -3.8409 -3.8409 -3.8406 -3.8406 -3.4147 -3.4147 -3.4131 -3.4131 -3.2997 -3.2997 -3.2981 -3.2981 -3.1788 -3.1788 -3.1777 -3.1777 -2.9996 -2.9996 -2.9993 -2.9993 4.5663 4.5663 4.5702 4.5702 4.6609 4.6609 4.6610 4.6610 4.7994 4.7994 4.7997 4.7997 k = 0.5000 0.1572 0.5253 ( 9464 PWs) bands (ev): -17.9858 -17.9858 -17.9858 -17.9858 -17.9299 -17.9299 -17.9299 -17.9299 -14.4055 -14.4055 -14.4055 -14.4055 -14.3565 -14.3565 -14.3565 -14.3565 -7.9936 -7.9936 -7.9935 -7.9935 -7.9051 -7.9051 -7.9051 -7.9051 -6.5951 -6.5951 -6.5948 -6.5948 -6.4993 -6.4993 -6.4992 -6.4992 -5.9170 -5.9170 -5.9168 -5.9168 -5.6126 -5.6126 -5.6124 -5.6124 -3.9261 -3.9261 -3.9251 -3.9251 -3.8412 -3.8412 -3.8408 -3.8408 -3.4139 -3.4139 -3.4121 -3.4121 -3.2974 -3.2974 -3.2958 -3.2958 -3.1758 -3.1758 -3.1747 -3.1747 -3.0007 -3.0007 -3.0007 -3.0007 4.5571 4.5571 4.5609 4.5609 4.6498 4.6498 4.6499 4.6499 4.8053 4.8053 4.8058 4.8058 k = 0.5000 0.1310 0.5253 ( 9458 PWs) bands (ev): -17.9865 -17.9865 -17.9865 -17.9865 -17.9305 -17.9305 -17.9305 -17.9305 -14.4067 -14.4067 -14.4067 -14.4067 -14.3577 -14.3577 -14.3577 -14.3577 -7.9915 -7.9915 -7.9914 -7.9914 -7.9050 -7.9050 -7.9050 -7.9050 -6.5850 -6.5850 -6.5846 -6.5846 -6.4906 -6.4906 -6.4905 -6.4905 -5.9214 -5.9214 -5.9211 -5.9211 -5.6154 -5.6154 -5.6151 -5.6151 -3.9253 -3.9253 -3.9242 -3.9242 -3.8414 -3.8414 -3.8410 -3.8410 -3.4132 -3.4132 -3.4114 -3.4114 -3.2955 -3.2955 -3.2937 -3.2937 -3.1733 -3.1733 -3.1720 -3.1720 -3.0018 -3.0018 -3.0017 -3.0017 4.5490 4.5490 4.5529 4.5529 4.6403 4.6403 4.6403 4.6403 4.8109 4.8109 4.8115 4.8115 k = 0.5000 0.1048 0.5253 ( 9464 PWs) bands (ev): -17.9871 -17.9871 -17.9871 -17.9871 -17.9309 -17.9309 -17.9309 -17.9309 -14.4076 -14.4076 -14.4076 -14.4076 -14.3586 -14.3586 -14.3586 -14.3586 -7.9897 -7.9897 -7.9896 -7.9896 -7.9050 -7.9050 -7.9049 -7.9049 -6.5765 -6.5765 -6.5762 -6.5762 -6.4833 -6.4833 -6.4833 -6.4833 -5.9250 -5.9250 -5.9247 -5.9247 -5.6177 -5.6177 -5.6174 -5.6174 -3.9246 -3.9246 -3.9235 -3.9235 -3.8417 -3.8417 -3.8412 -3.8412 -3.4127 -3.4127 -3.4108 -3.4108 -3.2939 -3.2939 -3.2921 -3.2921 -3.1712 -3.1712 -3.1697 -3.1697 -3.0028 -3.0028 -3.0026 -3.0026 4.5423 4.5423 4.5462 4.5462 4.6323 4.6323 4.6324 4.6324 4.8161 4.8161 4.8166 4.8166 k = 0.5000 0.0786 0.5253 ( 9468 PWs) bands (ev): -17.9876 -17.9876 -17.9876 -17.9876 -17.9312 -17.9312 -17.9312 -17.9312 -14.4083 -14.4083 -14.4083 -14.4083 -14.3594 -14.3594 -14.3594 -14.3594 -7.9883 -7.9883 -7.9882 -7.9882 -7.9049 -7.9049 -7.9049 -7.9049 -6.5698 -6.5698 -6.5695 -6.5695 -6.4776 -6.4776 -6.4776 -6.4776 -5.9278 -5.9278 -5.9275 -5.9275 -5.6195 -5.6195 -5.6192 -5.6192 -3.9241 -3.9241 -3.9229 -3.9229 -3.8419 -3.8419 -3.8413 -3.8413 -3.4123 -3.4123 -3.4104 -3.4104 -3.2927 -3.2927 -3.2908 -3.2908 -3.1695 -3.1695 -3.1679 -3.1679 -3.0036 -3.0036 -3.0032 -3.0032 4.5370 4.5370 4.5409 4.5409 4.6261 4.6261 4.6261 4.6261 4.8205 4.8205 4.8210 4.8210 k = 0.5000 0.0524 0.5253 ( 9462 PWs) bands (ev): -17.9880 -17.9880 -17.9880 -17.9880 -17.9315 -17.9315 -17.9315 -17.9315 -14.4088 -14.4088 -14.4088 -14.4088 -14.3599 -14.3599 -14.3599 -14.3599 -7.9872 -7.9872 -7.9871 -7.9871 -7.9049 -7.9049 -7.9049 -7.9049 -6.5650 -6.5650 -6.5646 -6.5646 -6.4735 -6.4735 -6.4735 -6.4735 -5.9299 -5.9299 -5.9296 -5.9296 -5.6208 -5.6208 -5.6205 -5.6205 -3.9237 -3.9237 -3.9225 -3.9225 -3.8420 -3.8420 -3.8415 -3.8415 -3.4120 -3.4120 -3.4101 -3.4101 -3.2918 -3.2918 -3.2899 -3.2899 -3.1682 -3.1682 -3.1666 -3.1666 -3.0041 -3.0041 -3.0037 -3.0037 4.5331 4.5331 4.5370 4.5370 4.6216 4.6216 4.6217 4.6217 4.8239 4.8239 4.8244 4.8244 k = 0.5000 0.0262 0.5253 ( 9456 PWs) bands (ev): -17.9882 -17.9882 -17.9882 -17.9882 -17.9316 -17.9316 -17.9316 -17.9316 -14.4091 -14.4091 -14.4091 -14.4091 -14.3603 -14.3603 -14.3603 -14.3603 -7.9866 -7.9866 -7.9865 -7.9865 -7.9049 -7.9049 -7.9049 -7.9049 -6.5620 -6.5620 -6.5617 -6.5617 -6.4710 -6.4710 -6.4710 -6.4710 -5.9311 -5.9311 -5.9308 -5.9308 -5.6216 -5.6216 -5.6213 -5.6213 -3.9235 -3.9235 -3.9223 -3.9223 -3.8421 -3.8421 -3.8416 -3.8416 -3.4118 -3.4118 -3.4099 -3.4099 -3.2913 -3.2913 -3.2893 -3.2893 -3.1675 -3.1675 -3.1658 -3.1658 -3.0045 -3.0045 -3.0040 -3.0040 4.5308 4.5308 4.5347 4.5347 4.6189 4.6189 4.6190 4.6190 4.8260 4.8260 4.8266 4.8266 k = 0.5000-0.0000 0.5253 ( 9452 PWs) bands (ev): -17.9882 -17.9882 -17.9882 -17.9882 -17.9317 -17.9317 -17.9317 -17.9317 -14.4092 -14.4092 -14.4092 -14.4092 -14.3604 -14.3604 -14.3604 -14.3604 -7.9864 -7.9864 -7.9863 -7.9863 -7.9049 -7.9049 -7.9049 -7.9049 -6.5610 -6.5610 -6.5607 -6.5607 -6.4702 -6.4702 -6.4702 -6.4702 -5.9315 -5.9315 -5.9312 -5.9312 -5.6219 -5.6219 -5.6216 -5.6216 -3.9234 -3.9234 -3.9222 -3.9222 -3.8422 -3.8422 -3.8416 -3.8416 -3.4118 -3.4118 -3.4099 -3.4099 -3.2911 -3.2911 -3.2891 -3.2891 -3.1672 -3.1672 -3.1656 -3.1656 -3.0046 -3.0046 -3.0041 -3.0041 4.5300 4.5300 4.5339 4.5339 4.6180 4.6180 4.6181 4.6181 4.8268 4.8268 4.8274 4.8274 k = 0.5000-0.0000 0.5253 ( 9452 PWs) bands (ev): -17.9882 -17.9882 -17.9882 -17.9882 -17.9317 -17.9317 -17.9317 -17.9317 -14.4092 -14.4092 -14.4092 -14.4092 -14.3604 -14.3604 -14.3604 -14.3604 -7.9864 -7.9864 -7.9863 -7.9863 -7.9049 -7.9049 -7.9049 -7.9049 -6.5610 -6.5610 -6.5607 -6.5607 -6.4702 -6.4702 -6.4702 -6.4702 -5.9315 -5.9315 -5.9312 -5.9312 -5.6219 -5.6219 -5.6216 -5.6216 -3.9234 -3.9234 -3.9222 -3.9222 -3.8422 -3.8422 -3.8416 -3.8416 -3.4118 -3.4118 -3.4099 -3.4099 -3.2911 -3.2911 -3.2891 -3.2891 -3.1672 -3.1672 -3.1656 -3.1656 -3.0046 -3.0046 -3.0041 -3.0041 4.5300 4.5300 4.5339 4.5339 4.6180 4.6180 4.6181 4.6181 4.8268 4.8268 4.8274 4.8274 k = 0.5000-0.0000 0.5003 ( 9462 PWs) bands (ev): -17.9883 -17.9883 -17.9883 -17.9883 -17.9316 -17.9316 -17.9316 -17.9316 -14.4092 -14.4092 -14.4092 -14.4092 -14.3603 -14.3603 -14.3603 -14.3603 -7.9866 -7.9866 -7.9865 -7.9865 -7.9048 -7.9048 -7.9047 -7.9047 -6.5610 -6.5610 -6.5607 -6.5607 -6.4704 -6.4704 -6.4704 -6.4704 -5.9321 -5.9321 -5.9318 -5.9318 -5.6211 -5.6211 -5.6208 -5.6208 -3.9237 -3.9237 -3.9225 -3.9225 -3.8418 -3.8418 -3.8413 -3.8413 -3.4116 -3.4116 -3.4097 -3.4097 -3.2914 -3.2914 -3.2895 -3.2895 -3.1670 -3.1670 -3.1653 -3.1653 -3.0047 -3.0047 -3.0042 -3.0042 4.5292 4.5292 4.5332 4.5332 4.6175 4.6175 4.6176 4.6176 4.8276 4.8276 4.8282 4.8282 k = 0.5000-0.0000 0.4753 ( 9450 PWs) bands (ev): -17.9885 -17.9885 -17.9884 -17.9884 -17.9315 -17.9315 -17.9315 -17.9315 -14.4093 -14.4093 -14.4093 -14.4093 -14.3602 -14.3602 -14.3602 -14.3602 -7.9871 -7.9871 -7.9870 -7.9870 -7.9042 -7.9042 -7.9041 -7.9041 -6.5608 -6.5608 -6.5604 -6.5604 -6.4709 -6.4709 -6.4708 -6.4708 -5.9340 -5.9340 -5.9337 -5.9337 -5.6188 -5.6188 -5.6185 -5.6185 -3.9245 -3.9245 -3.9233 -3.9233 -3.8409 -3.8409 -3.8404 -3.8404 -3.4112 -3.4112 -3.4093 -3.4093 -3.2925 -3.2925 -3.2906 -3.2906 -3.1662 -3.1662 -3.1646 -3.1646 -3.0049 -3.0049 -3.0045 -3.0045 4.5270 4.5270 4.5308 4.5308 4.6159 4.6159 4.6160 4.6160 4.8302 4.8302 4.8307 4.8307 k = 0.5000-0.0000 0.4503 ( 9446 PWs) bands (ev): -17.9887 -17.9887 -17.9887 -17.9887 -17.9312 -17.9312 -17.9312 -17.9312 -14.4095 -14.4095 -14.4095 -14.4095 -14.3601 -14.3601 -14.3601 -14.3601 -7.9879 -7.9879 -7.9878 -7.9878 -7.9033 -7.9033 -7.9032 -7.9032 -6.5604 -6.5604 -6.5601 -6.5601 -6.4717 -6.4717 -6.4717 -6.4717 -5.9370 -5.9370 -5.9367 -5.9367 -5.6150 -5.6150 -5.6147 -5.6147 -3.9257 -3.9257 -3.9247 -3.9247 -3.8393 -3.8393 -3.8390 -3.8390 -3.4105 -3.4105 -3.4086 -3.4086 -3.2942 -3.2942 -3.2923 -3.2923 -3.1651 -3.1651 -3.1634 -3.1634 -3.0053 -3.0053 -3.0049 -3.0049 4.5234 4.5234 4.5272 4.5272 4.6133 4.6133 4.6135 4.6135 4.8344 4.8344 4.8347 4.8347 k = 0.5000-0.0000 0.4253 ( 9444 PWs) bands (ev): -17.9890 -17.9890 -17.9890 -17.9890 -17.9309 -17.9309 -17.9309 -17.9309 -14.4097 -14.4097 -14.4097 -14.4097 -14.3598 -14.3598 -14.3598 -14.3598 -7.9890 -7.9890 -7.9889 -7.9889 -7.9020 -7.9020 -7.9020 -7.9020 -6.5600 -6.5600 -6.5596 -6.5596 -6.4728 -6.4728 -6.4728 -6.4728 -5.9411 -5.9411 -5.9408 -5.9408 -5.6099 -5.6099 -5.6096 -5.6096 -3.9274 -3.9274 -3.9264 -3.9264 -3.8373 -3.8373 -3.8371 -3.8371 -3.4095 -3.4095 -3.4077 -3.4077 -3.2965 -3.2965 -3.2946 -3.2946 -3.1635 -3.1635 -3.1618 -3.1618 -3.0059 -3.0059 -3.0054 -3.0054 4.5188 4.5188 4.5224 4.5224 4.6097 4.6097 4.6101 4.6101 4.8400 4.8400 4.8400 4.8400 k = 0.5000-0.0000 0.4003 ( 9448 PWs) bands (ev): -17.9895 -17.9895 -17.9894 -17.9894 -17.9304 -17.9304 -17.9304 -17.9304 -14.4100 -14.4100 -14.4100 -14.4100 -14.3595 -14.3595 -14.3595 -14.3595 -7.9903 -7.9903 -7.9903 -7.9903 -7.9006 -7.9006 -7.9005 -7.9005 -6.5594 -6.5594 -6.5591 -6.5591 -6.4742 -6.4742 -6.4742 -6.4742 -5.9459 -5.9459 -5.9457 -5.9457 -5.6038 -5.6038 -5.6035 -5.6035 -3.9293 -3.9293 -3.9285 -3.9285 -3.8349 -3.8349 -3.8348 -3.8348 -3.4083 -3.4083 -3.4065 -3.4065 -3.2992 -3.2992 -3.2974 -3.2974 -3.1616 -3.1616 -3.1599 -3.1599 -3.0066 -3.0066 -3.0061 -3.0061 4.5133 4.5133 4.5169 4.5169 4.6052 4.6052 4.6056 4.6056 4.8466 4.8466 4.8467 4.8467 k = 0.5000-0.0000 0.3752 ( 9444 PWs) bands (ev): -17.9899 -17.9899 -17.9899 -17.9899 -17.9299 -17.9299 -17.9299 -17.9299 -14.4103 -14.4103 -14.4103 -14.4103 -14.3592 -14.3592 -14.3592 -14.3592 -7.9919 -7.9919 -7.9918 -7.9918 -7.8989 -7.8989 -7.8988 -7.8988 -6.5587 -6.5587 -6.5584 -6.5584 -6.4759 -6.4759 -6.4758 -6.4758 -5.9515 -5.9515 -5.9512 -5.9512 -5.5968 -5.5968 -5.5965 -5.5965 -3.9315 -3.9315 -3.9309 -3.9309 -3.8323 -3.8323 -3.8322 -3.8322 -3.4068 -3.4068 -3.4051 -3.4051 -3.3023 -3.3023 -3.3007 -3.3007 -3.1596 -3.1596 -3.1578 -3.1578 -3.0074 -3.0074 -3.0069 -3.0069 4.5074 4.5074 4.5107 4.5107 4.5999 4.5999 4.6004 4.6004 4.8540 4.8540 4.8544 4.8544 k = 0.5000-0.0000 0.3502 ( 9450 PWs) bands (ev): -17.9905 -17.9905 -17.9905 -17.9905 -17.9294 -17.9294 -17.9294 -17.9294 -14.4107 -14.4107 -14.4107 -14.4107 -14.3588 -14.3588 -14.3588 -14.3588 -7.9935 -7.9935 -7.9934 -7.9934 -7.8971 -7.8971 -7.8970 -7.8970 -6.5579 -6.5579 -6.5576 -6.5576 -6.4777 -6.4777 -6.4777 -6.4777 -5.9575 -5.9575 -5.9572 -5.9572 -5.5891 -5.5891 -5.5888 -5.5888 -3.9339 -3.9339 -3.9334 -3.9334 -3.8295 -3.8295 -3.8293 -3.8293 -3.4051 -3.4051 -3.4034 -3.4034 -3.3058 -3.3058 -3.3042 -3.3042 -3.1574 -3.1574 -3.1556 -3.1556 -3.0083 -3.0083 -3.0078 -3.0078 4.5011 4.5011 4.5043 4.5043 4.5940 4.5940 4.5945 4.5945 4.8621 4.8621 4.8627 4.8627 k = 0.5000-0.0000 0.3252 ( 9454 PWs) bands (ev): -17.9910 -17.9910 -17.9910 -17.9910 -17.9288 -17.9288 -17.9288 -17.9288 -14.4111 -14.4111 -14.4111 -14.4111 -14.3584 -14.3584 -14.3584 -14.3584 -7.9952 -7.9952 -7.9951 -7.9951 -7.8951 -7.8951 -7.8951 -7.8951 -6.5570 -6.5570 -6.5567 -6.5567 -6.4798 -6.4798 -6.4797 -6.4797 -5.9637 -5.9637 -5.9635 -5.9635 -5.5810 -5.5810 -5.5807 -5.5807 -3.9363 -3.9363 -3.9360 -3.9360 -3.8266 -3.8266 -3.8263 -3.8263 -3.4032 -3.4032 -3.4016 -3.4016 -3.3094 -3.3094 -3.3079 -3.3079 -3.1552 -3.1552 -3.1534 -3.1534 -3.0092 -3.0092 -3.0087 -3.0087 4.4948 4.4948 4.4979 4.4979 4.5875 4.5875 4.5881 4.5881 4.8706 4.8706 4.8714 4.8714 k = 0.5000-0.0000 0.3002 ( 9448 PWs) bands (ev): -17.9916 -17.9916 -17.9916 -17.9916 -17.9282 -17.9282 -17.9282 -17.9282 -14.4115 -14.4115 -14.4115 -14.4115 -14.3580 -14.3580 -14.3580 -14.3580 -7.9970 -7.9970 -7.9969 -7.9969 -7.8932 -7.8932 -7.8931 -7.8931 -6.5560 -6.5560 -6.5557 -6.5557 -6.4820 -6.4820 -6.4819 -6.4819 -5.9701 -5.9701 -5.9699 -5.9699 -5.5726 -5.5726 -5.5723 -5.5723 -3.9388 -3.9388 -3.9386 -3.9386 -3.8237 -3.8237 -3.8233 -3.8233 -3.4011 -3.4011 -3.3996 -3.3996 -3.3131 -3.3131 -3.3117 -3.3117 -3.1530 -3.1530 -3.1512 -3.1512 -3.0103 -3.0103 -3.0097 -3.0097 4.4887 4.4887 4.4915 4.4915 4.5808 4.5808 4.5815 4.5815 4.8792 4.8792 4.8801 4.8801 k = 0.5000-0.0000 0.2752 ( 9442 PWs) bands (ev): -17.9922 -17.9922 -17.9922 -17.9922 -17.9276 -17.9276 -17.9276 -17.9276 -14.4119 -14.4119 -14.4119 -14.4119 -14.3576 -14.3576 -14.3576 -14.3576 -7.9987 -7.9987 -7.9986 -7.9986 -7.8912 -7.8912 -7.8911 -7.8911 -6.5550 -6.5550 -6.5547 -6.5547 -6.4843 -6.4843 -6.4842 -6.4842 -5.9765 -5.9765 -5.9763 -5.9763 -5.5642 -5.5642 -5.5640 -5.5640 -3.9413 -3.9413 -3.9412 -3.9412 -3.8208 -3.8208 -3.8203 -3.8203 -3.3988 -3.3988 -3.3974 -3.3974 -3.3169 -3.3169 -3.3156 -3.3156 -3.1508 -3.1508 -3.1491 -3.1491 -3.0113 -3.0113 -3.0107 -3.0107 4.4828 4.4828 4.4854 4.4854 4.5740 4.5740 4.5746 4.5746 4.8876 4.8876 4.8886 4.8886 k = 0.5000-0.0000 0.2502 ( 9444 PWs) bands (ev): -17.9928 -17.9928 -17.9928 -17.9928 -17.9270 -17.9270 -17.9270 -17.9270 -14.4123 -14.4123 -14.4123 -14.4123 -14.3572 -14.3572 -14.3572 -14.3572 -8.0004 -8.0004 -8.0004 -8.0004 -7.8892 -7.8892 -7.8892 -7.8892 -6.5539 -6.5539 -6.5536 -6.5536 -6.4866 -6.4866 -6.4865 -6.4865 -5.9827 -5.9827 -5.9825 -5.9825 -5.5560 -5.5560 -5.5557 -5.5557 -3.9437 -3.9437 -3.9437 -3.9437 -3.8180 -3.8180 -3.8174 -3.8174 -3.3965 -3.3965 -3.3952 -3.3952 -3.3206 -3.3206 -3.3195 -3.3195 -3.1488 -3.1488 -3.1472 -3.1472 -3.0123 -3.0123 -3.0118 -3.0118 4.4773 4.4773 4.4797 4.4797 4.5672 4.5672 4.5679 4.5679 4.8956 4.8956 4.8966 4.8966 k = 0.5000-0.0000 0.2251 ( 9446 PWs) bands (ev): -17.9934 -17.9934 -17.9934 -17.9934 -17.9264 -17.9264 -17.9264 -17.9264 -14.4127 -14.4127 -14.4127 -14.4127 -14.3568 -14.3568 -14.3568 -14.3568 -8.0020 -8.0020 -8.0020 -8.0020 -7.8874 -7.8874 -7.8874 -7.8874 -6.5528 -6.5528 -6.5526 -6.5526 -6.4889 -6.4889 -6.4888 -6.4888 -5.9886 -5.9886 -5.9884 -5.9884 -5.5480 -5.5480 -5.5478 -5.5478 -3.9461 -3.9461 -3.9460 -3.9460 -3.8154 -3.8154 -3.8147 -3.8147 -3.3940 -3.3940 -3.3929 -3.3929 -3.3243 -3.3243 -3.3232 -3.3232 -3.1470 -3.1470 -3.1454 -3.1454 -3.0133 -3.0133 -3.0128 -3.0128 4.4722 4.4722 4.4744 4.4744 4.5607 4.5607 4.5613 4.5613 4.9030 4.9030 4.9039 4.9039 k = 0.5000-0.0000 0.2001 ( 9456 PWs) bands (ev): -17.9940 -17.9940 -17.9940 -17.9940 -17.9258 -17.9258 -17.9258 -17.9258 -14.4131 -14.4131 -14.4131 -14.4131 -14.3564 -14.3564 -14.3564 -14.3564 -8.0036 -8.0036 -8.0035 -8.0035 -7.8856 -7.8856 -7.8856 -7.8856 -6.5518 -6.5518 -6.5515 -6.5515 -6.4912 -6.4912 -6.4911 -6.4911 -5.9942 -5.9942 -5.9940 -5.9940 -5.5406 -5.5406 -5.5403 -5.5403 -3.9483 -3.9483 -3.9482 -3.9482 -3.8128 -3.8128 -3.8122 -3.8122 -3.3916 -3.3916 -3.3905 -3.3905 -3.3278 -3.3278 -3.3268 -3.3268 -3.1454 -3.1454 -3.1439 -3.1439 -3.0143 -3.0143 -3.0138 -3.0138 4.4677 4.4677 4.4697 4.4697 4.5545 4.5545 4.5550 4.5550 4.9094 4.9094 4.9102 4.9102 k = 0.5000-0.0000 0.1751 ( 9454 PWs) bands (ev): -17.9945 -17.9945 -17.9945 -17.9945 -17.9253 -17.9253 -17.9253 -17.9253 -14.4134 -14.4134 -14.4134 -14.4134 -14.3560 -14.3560 -14.3560 -14.3560 -8.0050 -8.0050 -8.0049 -8.0049 -7.8840 -7.8840 -7.8840 -7.8840 -6.5507 -6.5507 -6.5505 -6.5505 -6.4933 -6.4933 -6.4933 -6.4933 -5.9992 -5.9992 -5.9991 -5.9991 -5.5336 -5.5336 -5.5334 -5.5334 -3.9503 -3.9503 -3.9501 -3.9501 -3.8105 -3.8105 -3.8099 -3.8099 -3.3892 -3.3892 -3.3882 -3.3882 -3.3310 -3.3310 -3.3302 -3.3302 -3.1439 -3.1439 -3.1425 -3.1425 -3.0152 -3.0152 -3.0147 -3.0147 4.4637 4.4637 4.4655 4.4655 4.5488 4.5488 4.5493 4.5493 4.9148 4.9148 4.9155 4.9155 k = 0.5000-0.0000 0.1501 ( 9450 PWs) bands (ev): -17.9949 -17.9949 -17.9949 -17.9949 -17.9248 -17.9248 -17.9248 -17.9248 -14.4137 -14.4137 -14.4137 -14.4137 -14.3557 -14.3557 -14.3557 -14.3557 -8.0062 -8.0062 -8.0062 -8.0062 -7.8826 -7.8826 -7.8826 -7.8826 -6.5497 -6.5497 -6.5495 -6.5495 -6.4954 -6.4954 -6.4953 -6.4953 -6.0038 -6.0038 -6.0037 -6.0037 -5.5274 -5.5274 -5.5272 -5.5272 -3.9521 -3.9521 -3.9519 -3.9519 -3.8085 -3.8085 -3.8079 -3.8079 -3.3868 -3.3868 -3.3860 -3.3860 -3.3340 -3.3340 -3.3333 -3.3333 -3.1427 -3.1427 -3.1414 -3.1414 -3.0159 -3.0159 -3.0155 -3.0155 4.4603 4.4603 4.4618 4.4618 4.5436 4.5436 4.5441 4.5441 4.9191 4.9191 4.9196 4.9196 k = 0.5000-0.0000 0.1251 ( 9454 PWs) bands (ev): -17.9953 -17.9953 -17.9953 -17.9953 -17.9244 -17.9244 -17.9244 -17.9244 -14.4140 -14.4140 -14.4140 -14.4140 -14.3554 -14.3554 -14.3554 -14.3554 -8.0073 -8.0073 -8.0073 -8.0073 -7.8814 -7.8814 -7.8813 -7.8813 -6.5488 -6.5488 -6.5486 -6.5486 -6.4972 -6.4972 -6.4971 -6.4971 -6.0077 -6.0077 -6.0076 -6.0076 -5.5220 -5.5220 -5.5218 -5.5218 -3.9536 -3.9536 -3.9535 -3.9535 -3.8067 -3.8067 -3.8061 -3.8061 -3.3846 -3.3846 -3.3840 -3.3840 -3.3367 -3.3367 -3.3362 -3.3362 -3.1416 -3.1416 -3.1405 -3.1405 -3.0166 -3.0166 -3.0162 -3.0162 4.4574 4.4574 4.4587 4.4587 4.5392 4.5392 4.5396 4.5396 4.9223 4.9223 4.9226 4.9226 k = 0.5000-0.0000 0.1001 ( 9464 PWs) bands (ev): -17.9957 -17.9957 -17.9957 -17.9957 -17.9240 -17.9240 -17.9240 -17.9240 -14.4143 -14.4143 -14.4143 -14.4143 -14.3552 -14.3552 -14.3552 -14.3552 -8.0082 -8.0082 -8.0082 -8.0082 -7.8803 -7.8803 -7.8803 -7.8803 -6.5479 -6.5479 -6.5478 -6.5478 -6.4987 -6.4987 -6.4987 -6.4987 -6.0110 -6.0110 -6.0109 -6.0109 -5.5174 -5.5174 -5.5173 -5.5173 -3.9549 -3.9549 -3.9548 -3.9548 -3.8052 -3.8052 -3.8047 -3.8047 -3.3827 -3.3827 -3.3821 -3.3821 -3.3391 -3.3391 -3.3386 -3.3386 -3.1408 -3.1408 -3.1399 -3.1399 -3.0171 -3.0171 -3.0168 -3.0168 4.4551 4.4551 4.4562 4.4562 4.5355 4.5355 4.5358 4.5358 4.9245 4.9245 4.9247 4.9247 k = 0.5000-0.0000 0.0750 ( 9462 PWs) bands (ev): -17.9960 -17.9960 -17.9960 -17.9960 -17.9237 -17.9237 -17.9237 -17.9237 -14.4145 -14.4145 -14.4145 -14.4145 -14.3550 -14.3550 -14.3550 -14.3550 -8.0089 -8.0089 -8.0089 -8.0089 -7.8795 -7.8795 -7.8795 -7.8795 -6.5472 -6.5472 -6.5471 -6.5471 -6.5000 -6.5000 -6.4999 -6.4999 -6.0136 -6.0136 -6.0136 -6.0136 -5.5138 -5.5138 -5.5137 -5.5137 -3.9560 -3.9560 -3.9558 -3.9558 -3.8039 -3.8039 -3.8036 -3.8036 -3.3810 -3.3810 -3.3806 -3.3806 -3.3410 -3.3410 -3.3407 -3.3407 -3.1401 -3.1401 -3.1394 -3.1394 -3.0176 -3.0176 -3.0173 -3.0173 4.4534 4.4534 4.4542 4.4542 4.5325 4.5325 4.5327 4.5327 4.9258 4.9258 4.9259 4.9259 k = 0.5000-0.0000 0.0500 ( 9460 PWs) bands (ev): -17.9962 -17.9962 -17.9962 -17.9962 -17.9235 -17.9235 -17.9235 -17.9235 -14.4146 -14.4146 -14.4146 -14.4146 -14.3548 -14.3548 -14.3548 -14.3548 -8.0094 -8.0094 -8.0094 -8.0094 -7.8789 -7.8789 -7.8789 -7.8789 -6.5467 -6.5467 -6.5466 -6.5466 -6.5009 -6.5009 -6.5009 -6.5009 -6.0155 -6.0155 -6.0155 -6.0155 -5.5111 -5.5111 -5.5111 -5.5111 -3.9567 -3.9567 -3.9566 -3.9566 -3.8030 -3.8030 -3.8028 -3.8028 -3.3796 -3.3796 -3.3794 -3.3794 -3.3424 -3.3424 -3.3422 -3.3422 -3.1396 -3.1396 -3.1391 -3.1391 -3.0179 -3.0179 -3.0177 -3.0177 4.4522 4.4522 4.4528 4.4528 4.5304 4.5304 4.5306 4.5306 4.9266 4.9266 4.9266 4.9266 k = 0.5000-0.0000 0.0250 ( 9462 PWs) bands (ev): -17.9963 -17.9963 -17.9963 -17.9963 -17.9234 -17.9234 -17.9234 -17.9234 -14.4147 -14.4147 -14.4147 -14.4147 -14.3547 -14.3547 -14.3547 -14.3547 -8.0097 -8.0097 -8.0097 -8.0097 -7.8785 -7.8785 -7.8785 -7.8785 -6.5464 -6.5464 -6.5463 -6.5463 -6.5015 -6.5015 -6.5015 -6.5015 -6.0166 -6.0166 -6.0166 -6.0166 -5.5095 -5.5095 -5.5095 -5.5095 -3.9571 -3.9571 -3.9571 -3.9571 -3.8025 -3.8025 -3.8023 -3.8023 -3.3788 -3.3788 -3.3787 -3.3787 -3.3433 -3.3433 -3.3432 -3.3432 -3.1392 -3.1392 -3.1390 -3.1390 -3.0180 -3.0180 -3.0179 -3.0179 4.4516 4.4516 4.4518 4.4518 4.5291 4.5291 4.5292 4.5292 4.9269 4.9269 4.9270 4.9270 k = 0.5000-0.0000-0.0000 ( 9470 PWs) bands (ev): -17.9963 -17.9963 -17.9963 -17.9963 -17.9234 -17.9234 -17.9234 -17.9234 -14.4147 -14.4147 -14.4147 -14.4147 -14.3547 -14.3547 -14.3547 -14.3547 -8.0098 -8.0098 -8.0098 -8.0098 -7.8784 -7.8784 -7.8784 -7.8784 -6.5463 -6.5463 -6.5463 -6.5463 -6.5017 -6.5017 -6.5017 -6.5017 -6.0170 -6.0170 -6.0170 -6.0170 -5.5090 -5.5090 -5.5090 -5.5090 -3.9572 -3.9572 -3.9572 -3.9572 -3.8022 -3.8022 -3.8022 -3.8022 -3.3785 -3.3785 -3.3785 -3.3785 -3.3436 -3.3436 -3.3436 -3.3436 -3.1390 -3.1390 -3.1390 -3.1390 -3.0180 -3.0180 -3.0180 -3.0180 4.4514 4.4514 4.4514 4.4514 4.5287 4.5287 4.5287 4.5287 4.9270 4.9270 4.9270 4.9270 k = 0.0000 0.0000 0.5253 ( 9450 PWs) bands (ev): -17.9925 -17.9925 -17.9925 -17.9925 -17.9273 -17.9273 -17.9273 -17.9273 -14.4092 -14.4092 -14.4092 -14.4092 -14.3603 -14.3603 -14.3603 -14.3603 -7.9849 -7.9849 -7.9849 -7.9849 -7.9065 -7.9065 -7.9065 -7.9065 -6.5674 -6.5674 -6.5674 -6.5674 -6.4825 -6.4825 -6.4825 -6.4825 -6.0101 -6.0101 -6.0101 -6.0101 -5.4908 -5.4908 -5.4908 -5.4908 -3.9416 -3.9416 -3.9416 -3.9416 -3.8212 -3.8212 -3.8212 -3.8212 -3.4337 -3.4337 -3.4337 -3.4337 -3.3041 -3.3041 -3.3041 -3.3041 -3.2076 -3.2076 -3.2076 -3.2076 -2.9609 -2.9609 -2.9609 -2.9609 4.4693 4.4693 4.4693 4.4693 4.6571 4.6571 4.6571 4.6571 4.8335 4.8335 4.8335 4.8335 k = 0.0250-0.0000 0.5253 ( 9456 PWs) bands (ev): -17.9925 -17.9925 -17.9925 -17.9925 -17.9273 -17.9273 -17.9273 -17.9273 -14.4092 -14.4092 -14.4092 -14.4092 -14.3603 -14.3603 -14.3603 -14.3603 -7.9849 -7.9849 -7.9849 -7.9849 -7.9065 -7.9065 -7.9065 -7.9065 -6.5673 -6.5673 -6.5673 -6.5673 -6.4825 -6.4825 -6.4825 -6.4825 -6.0098 -6.0098 -6.0097 -6.0097 -5.4915 -5.4915 -5.4915 -5.4915 -3.9415 -3.9415 -3.9414 -3.9414 -3.8213 -3.8213 -3.8213 -3.8213 -3.4336 -3.4336 -3.4335 -3.4335 -3.3042 -3.3042 -3.3039 -3.3039 -3.2075 -3.2075 -3.2073 -3.2073 -2.9612 -2.9612 -2.9611 -2.9611 4.4692 4.4692 4.4696 4.4696 4.6570 4.6570 4.6574 4.6574 4.8333 4.8333 4.8336 4.8336 k = 0.0500-0.0000 0.5253 ( 9454 PWs) bands (ev): -17.9924 -17.9924 -17.9924 -17.9924 -17.9274 -17.9274 -17.9274 -17.9274 -14.4092 -14.4092 -14.4092 -14.4092 -14.3603 -14.3603 -14.3603 -14.3603 -7.9849 -7.9849 -7.9849 -7.9849 -7.9064 -7.9064 -7.9064 -7.9064 -6.5672 -6.5672 -6.5672 -6.5672 -6.4822 -6.4822 -6.4822 -6.4822 -6.0087 -6.0087 -6.0087 -6.0087 -5.4935 -5.4935 -5.4935 -5.4935 -3.9412 -3.9412 -3.9410 -3.9410 -3.8217 -3.8217 -3.8216 -3.8216 -3.4331 -3.4331 -3.4329 -3.4329 -3.3042 -3.3042 -3.3037 -3.3037 -3.2070 -3.2070 -3.2066 -3.2066 -2.9618 -2.9618 -2.9618 -2.9618 4.4694 4.4694 4.4701 4.4701 4.6569 4.6569 4.6577 4.6577 4.8327 4.8327 4.8334 4.8334 k = 0.0750-0.0000 0.5253 ( 9452 PWs) bands (ev): -17.9923 -17.9923 -17.9923 -17.9923 -17.9275 -17.9275 -17.9275 -17.9275 -14.4092 -14.4092 -14.4092 -14.4092 -14.3603 -14.3603 -14.3603 -14.3603 -7.9850 -7.9850 -7.9850 -7.9850 -7.9064 -7.9064 -7.9064 -7.9064 -6.5670 -6.5670 -6.5669 -6.5669 -6.4819 -6.4819 -6.4819 -6.4819 -6.0069 -6.0069 -6.0069 -6.0069 -5.4969 -5.4969 -5.4969 -5.4969 -3.9407 -3.9407 -3.9405 -3.9405 -3.8223 -3.8223 -3.8221 -3.8221 -3.4323 -3.4323 -3.4320 -3.4320 -3.3041 -3.3041 -3.3033 -3.3033 -3.2060 -3.2060 -3.2054 -3.2054 -2.9629 -2.9629 -2.9628 -2.9628 4.4697 4.4697 4.4709 4.4709 4.6569 4.6569 4.6580 4.6580 4.8319 4.8319 4.8329 4.8329 k = 0.1000-0.0000 0.5253 ( 9456 PWs) bands (ev): -17.9921 -17.9921 -17.9921 -17.9921 -17.9277 -17.9277 -17.9277 -17.9277 -14.4092 -14.4092 -14.4092 -14.4092 -14.3603 -14.3603 -14.3603 -14.3603 -7.9851 -7.9851 -7.9850 -7.9850 -7.9063 -7.9063 -7.9063 -7.9063 -6.5668 -6.5668 -6.5667 -6.5667 -6.4814 -6.4814 -6.4814 -6.4814 -6.0045 -6.0045 -6.0045 -6.0045 -5.5016 -5.5016 -5.5015 -5.5015 -3.9401 -3.9401 -3.9397 -3.9397 -3.8231 -3.8231 -3.8229 -3.8229 -3.4312 -3.4312 -3.4308 -3.4308 -3.3040 -3.3040 -3.3029 -3.3029 -3.2046 -3.2046 -3.2038 -3.2038 -2.9644 -2.9644 -2.9643 -2.9643 4.4704 4.4704 4.4719 4.4719 4.6570 4.6570 4.6584 4.6584 4.8308 4.8308 4.8321 4.8321 k = 0.1250-0.0000 0.5253 ( 9454 PWs) bands (ev): -17.9919 -17.9919 -17.9919 -17.9919 -17.9279 -17.9279 -17.9279 -17.9279 -14.4092 -14.4092 -14.4092 -14.4092 -14.3603 -14.3603 -14.3603 -14.3603 -7.9851 -7.9851 -7.9851 -7.9851 -7.9062 -7.9062 -7.9062 -7.9062 -6.5664 -6.5664 -6.5663 -6.5663 -6.4807 -6.4807 -6.4807 -6.4807 -6.0014 -6.0014 -6.0014 -6.0014 -5.5074 -5.5074 -5.5073 -5.5073 -3.9392 -3.9392 -3.9388 -3.9388 -3.8241 -3.8241 -3.8239 -3.8239 -3.4299 -3.4299 -3.4293 -3.4293 -3.3037 -3.3037 -3.3024 -3.3024 -3.2029 -3.2029 -3.2019 -3.2019 -2.9663 -2.9663 -2.9661 -2.9661 4.4714 4.4714 4.4732 4.4732 4.6572 4.6572 4.6589 4.6589 4.8293 4.8293 4.8308 4.8308 k = 0.1500-0.0000 0.5253 ( 9440 PWs) bands (ev): -17.9917 -17.9917 -17.9917 -17.9917 -17.9281 -17.9281 -17.9281 -17.9281 -14.4092 -14.4092 -14.4092 -14.4092 -14.3603 -14.3603 -14.3603 -14.3603 -7.9852 -7.9852 -7.9852 -7.9852 -7.9061 -7.9061 -7.9061 -7.9061 -6.5660 -6.5660 -6.5659 -6.5659 -6.4799 -6.4799 -6.4799 -6.4799 -5.9977 -5.9977 -5.9976 -5.9976 -5.5143 -5.5143 -5.5142 -5.5142 -3.9382 -3.9382 -3.9376 -3.9376 -3.8253 -3.8253 -3.8250 -3.8250 -3.4283 -3.4283 -3.4277 -3.4277 -3.3032 -3.3032 -3.3017 -3.3017 -3.2008 -3.2008 -3.1996 -3.1996 -2.9685 -2.9685 -2.9683 -2.9683 4.4728 4.4728 4.4749 4.4749 4.6574 4.6574 4.6593 4.6593 4.8274 4.8274 4.8292 4.8292 k = 0.1750-0.0000 0.5253 ( 9438 PWs) bands (ev): -17.9914 -17.9914 -17.9914 -17.9914 -17.9284 -17.9284 -17.9284 -17.9284 -14.4092 -14.4092 -14.4092 -14.4092 -14.3603 -14.3603 -14.3603 -14.3603 -7.9853 -7.9853 -7.9853 -7.9853 -7.9060 -7.9060 -7.9060 -7.9060 -6.5656 -6.5656 -6.5654 -6.5654 -6.4791 -6.4791 -6.4791 -6.4791 -5.9934 -5.9934 -5.9933 -5.9933 -5.5222 -5.5222 -5.5221 -5.5221 -3.9370 -3.9370 -3.9364 -3.9364 -3.8267 -3.8267 -3.8263 -3.8263 -3.4267 -3.4267 -3.4259 -3.4259 -3.3026 -3.3026 -3.3010 -3.3010 -3.1984 -3.1984 -3.1971 -3.1971 -2.9710 -2.9710 -2.9709 -2.9709 4.4746 4.4746 4.4770 4.4770 4.6576 4.6576 4.6596 4.6596 4.8252 4.8252 4.8272 4.8272 k = 0.2000-0.0000 0.5253 ( 9436 PWs) bands (ev): -17.9911 -17.9911 -17.9911 -17.9911 -17.9287 -17.9287 -17.9287 -17.9287 -14.4092 -14.4092 -14.4092 -14.4092 -14.3603 -14.3603 -14.3603 -14.3603 -7.9854 -7.9854 -7.9854 -7.9854 -7.9059 -7.9059 -7.9059 -7.9059 -6.5651 -6.5651 -6.5649 -6.5649 -6.4782 -6.4782 -6.4782 -6.4782 -5.9885 -5.9885 -5.9884 -5.9884 -5.5309 -5.5309 -5.5308 -5.5308 -3.9358 -3.9358 -3.9351 -3.9351 -3.8281 -3.8281 -3.8277 -3.8277 -3.4249 -3.4249 -3.4240 -3.4240 -3.3019 -3.3019 -3.3001 -3.3001 -3.1957 -3.1957 -3.1943 -3.1943 -2.9739 -2.9739 -2.9737 -2.9737 4.4770 4.4770 4.4796 4.4796 4.6576 4.6576 4.6596 4.6596 4.8229 4.8229 4.8249 4.8249 k = 0.2250-0.0000 0.5253 ( 9426 PWs) bands (ev): -17.9908 -17.9908 -17.9908 -17.9908 -17.9291 -17.9291 -17.9291 -17.9291 -14.4092 -14.4092 -14.4092 -14.4092 -14.3603 -14.3603 -14.3603 -14.3603 -7.9856 -7.9856 -7.9855 -7.9855 -7.9058 -7.9058 -7.9057 -7.9057 -6.5646 -6.5646 -6.5644 -6.5644 -6.4773 -6.4773 -6.4773 -6.4773 -5.9831 -5.9831 -5.9830 -5.9830 -5.5403 -5.5403 -5.5402 -5.5402 -3.9344 -3.9344 -3.9336 -3.9336 -3.8297 -3.8297 -3.8292 -3.8292 -3.4231 -3.4231 -3.4221 -3.4221 -3.3010 -3.3010 -3.2991 -3.2991 -3.1928 -3.1928 -3.1913 -3.1913 -2.9770 -2.9770 -2.9767 -2.9767 4.4799 4.4799 4.4827 4.4827 4.6572 4.6572 4.6592 4.6592 4.8206 4.8206 4.8227 4.8227 k = 0.2500-0.0000 0.5253 ( 9420 PWs) bands (ev): -17.9905 -17.9905 -17.9905 -17.9905 -17.9294 -17.9294 -17.9294 -17.9294 -14.4092 -14.4092 -14.4092 -14.4092 -14.3603 -14.3603 -14.3603 -14.3603 -7.9857 -7.9857 -7.9856 -7.9856 -7.9056 -7.9056 -7.9056 -7.9056 -6.5641 -6.5641 -6.5639 -6.5639 -6.4763 -6.4763 -6.4763 -6.4763 -5.9774 -5.9774 -5.9772 -5.9772 -5.5502 -5.5502 -5.5500 -5.5500 -3.9330 -3.9330 -3.9322 -3.9322 -3.8313 -3.8313 -3.8308 -3.8308 -3.4213 -3.4213 -3.4202 -3.4202 -3.2999 -3.2999 -3.2980 -3.2980 -3.1897 -3.1897 -3.1882 -3.1882 -2.9802 -2.9802 -2.9800 -2.9800 4.4834 4.4834 4.4864 4.4864 4.6563 4.6563 4.6582 4.6582 4.8185 4.8185 4.8206 4.8206 k = 0.2750-0.0000 0.5253 ( 9428 PWs) bands (ev): -17.9901 -17.9901 -17.9901 -17.9901 -17.9297 -17.9297 -17.9297 -17.9297 -14.4092 -14.4092 -14.4092 -14.4092 -14.3603 -14.3603 -14.3603 -14.3603 -7.9858 -7.9858 -7.9857 -7.9857 -7.9055 -7.9055 -7.9055 -7.9055 -6.5636 -6.5636 -6.5634 -6.5634 -6.4753 -6.4753 -6.4753 -6.4753 -5.9713 -5.9713 -5.9711 -5.9711 -5.5603 -5.5603 -5.5602 -5.5602 -3.9316 -3.9316 -3.9307 -3.9307 -3.8329 -3.8329 -3.8324 -3.8324 -3.4196 -3.4196 -3.4184 -3.4184 -3.2988 -3.2988 -3.2968 -3.2968 -3.1866 -3.1866 -3.1850 -3.1850 -2.9836 -2.9836 -2.9834 -2.9834 4.4875 4.4875 4.4907 4.4907 4.6546 4.6546 4.6563 4.6563 4.8170 4.8170 4.8190 4.8190 k = 0.3000-0.0000 0.5253 ( 9440 PWs) bands (ev): -17.9898 -17.9898 -17.9898 -17.9898 -17.9301 -17.9301 -17.9301 -17.9301 -14.4092 -14.4092 -14.4092 -14.4092 -14.3603 -14.3603 -14.3603 -14.3603 -7.9859 -7.9859 -7.9858 -7.9858 -7.9054 -7.9054 -7.9054 -7.9054 -6.5632 -6.5632 -6.5629 -6.5629 -6.4744 -6.4744 -6.4744 -6.4744 -5.9651 -5.9651 -5.9649 -5.9649 -5.5705 -5.5705 -5.5703 -5.5703 -3.9302 -3.9302 -3.9292 -3.9292 -3.8345 -3.8345 -3.8340 -3.8340 -3.4181 -3.4181 -3.4167 -3.4167 -3.2976 -3.2976 -3.2956 -3.2956 -3.1834 -3.1834 -3.1818 -3.1818 -2.9871 -2.9871 -2.9868 -2.9868 4.4923 4.4923 4.4955 4.4955 4.6520 4.6520 4.6535 4.6535 4.8163 4.8163 4.8181 4.8181 k = 0.3250-0.0000 0.5253 ( 9452 PWs) bands (ev): -17.9895 -17.9895 -17.9895 -17.9895 -17.9304 -17.9304 -17.9304 -17.9304 -14.4092 -14.4092 -14.4092 -14.4092 -14.3603 -14.3603 -14.3603 -14.3603 -7.9860 -7.9860 -7.9859 -7.9859 -7.9053 -7.9053 -7.9053 -7.9053 -6.5627 -6.5627 -6.5624 -6.5624 -6.4735 -6.4735 -6.4735 -6.4735 -5.9588 -5.9588 -5.9586 -5.9586 -5.5805 -5.5805 -5.5803 -5.5803 -3.9288 -3.9288 -3.9278 -3.9278 -3.8361 -3.8361 -3.8355 -3.8355 -3.4166 -3.4166 -3.4151 -3.4151 -3.2964 -3.2964 -3.2944 -3.2944 -3.1803 -3.1803 -3.1786 -3.1786 -2.9905 -2.9905 -2.9901 -2.9901 4.4975 4.4975 4.5009 4.5009 4.6485 4.6485 4.6496 4.6496 4.8163 4.8163 4.8179 4.8179 k = 0.3500-0.0000 0.5253 ( 9450 PWs) bands (ev): -17.9892 -17.9892 -17.9892 -17.9892 -17.9307 -17.9307 -17.9307 -17.9307 -14.4092 -14.4092 -14.4092 -14.4092 -14.3603 -14.3603 -14.3603 -14.3603 -7.9861 -7.9861 -7.9860 -7.9860 -7.9052 -7.9052 -7.9052 -7.9052 -6.5623 -6.5623 -6.5620 -6.5620 -6.4727 -6.4727 -6.4727 -6.4727 -5.9527 -5.9527 -5.9525 -5.9525 -5.5901 -5.5901 -5.5899 -5.5899 -3.9275 -3.9275 -3.9264 -3.9264 -3.8375 -3.8375 -3.8370 -3.8370 -3.4154 -3.4154 -3.4137 -3.4137 -3.2952 -3.2952 -3.2931 -3.2931 -3.1773 -3.1773 -3.1756 -3.1756 -2.9937 -2.9937 -2.9933 -2.9933 4.5032 4.5032 4.5067 4.5067 4.6440 4.6440 4.6448 4.6448 4.8173 4.8173 4.8186 4.8186 k = 0.3750-0.0000 0.5253 ( 9450 PWs) bands (ev): -17.9889 -17.9889 -17.9889 -17.9889 -17.9310 -17.9310 -17.9310 -17.9310 -14.4092 -14.4092 -14.4092 -14.4092 -14.3603 -14.3603 -14.3603 -14.3603 -7.9862 -7.9862 -7.9861 -7.9861 -7.9051 -7.9051 -7.9051 -7.9051 -6.5619 -6.5619 -6.5616 -6.5616 -6.4720 -6.4720 -6.4720 -6.4720 -5.9470 -5.9470 -5.9467 -5.9467 -5.5989 -5.5989 -5.5987 -5.5987 -3.9264 -3.9264 -3.9252 -3.9252 -3.8388 -3.8388 -3.8383 -3.8383 -3.4143 -3.4143 -3.4126 -3.4126 -3.2940 -3.2940 -3.2920 -3.2920 -3.1745 -3.1745 -3.1729 -3.1729 -2.9967 -2.9967 -2.9963 -2.9963 4.5092 4.5092 4.5128 4.5128 4.6387 4.6387 4.6393 4.6393 4.8189 4.8189 4.8200 4.8200 k = 0.4000-0.0000 0.5253 ( 9456 PWs) bands (ev): -17.9887 -17.9887 -17.9887 -17.9887 -17.9312 -17.9312 -17.9312 -17.9312 -14.4092 -14.4092 -14.4092 -14.4092 -14.3604 -14.3604 -14.3603 -14.3603 -7.9863 -7.9863 -7.9862 -7.9862 -7.9051 -7.9051 -7.9050 -7.9050 -6.5616 -6.5616 -6.5613 -6.5613 -6.4714 -6.4714 -6.4713 -6.4713 -5.9419 -5.9419 -5.9416 -5.9416 -5.6067 -5.6067 -5.6064 -5.6064 -3.9254 -3.9254 -3.9242 -3.9242 -3.8400 -3.8400 -3.8394 -3.8394 -3.4134 -3.4134 -3.4116 -3.4116 -3.2930 -3.2930 -3.2910 -3.2910 -3.1721 -3.1721 -3.1704 -3.1704 -2.9994 -2.9994 -2.9990 -2.9990 4.5152 4.5152 4.5189 4.5189 4.6330 4.6330 4.6334 4.6334 4.8209 4.8209 4.8219 4.8219 k = 0.4250-0.0000 0.5253 ( 9462 PWs) bands (ev): -17.9885 -17.9885 -17.9885 -17.9885 -17.9314 -17.9314 -17.9314 -17.9314 -14.4092 -14.4092 -14.4092 -14.4092 -14.3604 -14.3604 -14.3604 -14.3604 -7.9863 -7.9863 -7.9862 -7.9862 -7.9050 -7.9050 -7.9050 -7.9050 -6.5614 -6.5614 -6.5611 -6.5611 -6.4709 -6.4709 -6.4708 -6.4708 -5.9375 -5.9375 -5.9372 -5.9372 -5.6131 -5.6131 -5.6128 -5.6128 -3.9245 -3.9245 -3.9233 -3.9233 -3.8409 -3.8409 -3.8404 -3.8404 -3.4127 -3.4127 -3.4108 -3.4108 -3.2922 -3.2922 -3.2902 -3.2902 -3.1700 -3.1700 -3.1684 -3.1684 -3.0016 -3.0016 -3.0011 -3.0011 4.5208 4.5208 4.5246 4.5246 4.6275 4.6275 4.6276 4.6276 4.8231 4.8231 4.8239 4.8239 k = 0.4500-0.0000 0.5253 ( 9462 PWs) bands (ev): -17.9884 -17.9884 -17.9884 -17.9884 -17.9316 -17.9316 -17.9316 -17.9316 -14.4092 -14.4092 -14.4092 -14.4092 -14.3604 -14.3604 -14.3604 -14.3604 -7.9864 -7.9864 -7.9863 -7.9863 -7.9050 -7.9050 -7.9049 -7.9049 -6.5612 -6.5612 -6.5609 -6.5609 -6.4705 -6.4705 -6.4705 -6.4705 -5.9342 -5.9342 -5.9339 -5.9339 -5.6179 -5.6179 -5.6176 -5.6176 -3.9239 -3.9239 -3.9227 -3.9227 -3.8416 -3.8416 -3.8410 -3.8410 -3.4122 -3.4122 -3.4103 -3.4103 -3.2916 -3.2916 -3.2896 -3.2896 -3.1685 -3.1685 -3.1669 -3.1669 -3.0032 -3.0032 -3.0028 -3.0028 4.5256 4.5256 4.5294 4.5294 4.6226 4.6226 4.6226 4.6226 4.8250 4.8250 4.8257 4.8257 k = 0.4750-0.0000 0.5253 ( 9458 PWs) bands (ev): -17.9883 -17.9883 -17.9883 -17.9883 -17.9317 -17.9317 -17.9317 -17.9317 -14.4092 -14.4092 -14.4092 -14.4092 -14.3604 -14.3604 -14.3604 -14.3604 -7.9864 -7.9864 -7.9863 -7.9863 -7.9049 -7.9049 -7.9049 -7.9049 -6.5611 -6.5611 -6.5608 -6.5608 -6.4703 -6.4703 -6.4703 -6.4703 -5.9322 -5.9322 -5.9319 -5.9319 -5.6209 -5.6209 -5.6206 -5.6206 -3.9236 -3.9236 -3.9223 -3.9223 -3.8420 -3.8420 -3.8415 -3.8415 -3.4119 -3.4119 -3.4100 -3.4100 -3.2912 -3.2912 -3.2892 -3.2892 -3.1676 -3.1676 -3.1659 -3.1659 -3.0042 -3.0042 -3.0038 -3.0038 4.5288 4.5288 4.5327 4.5327 4.6192 4.6192 4.6193 4.6193 4.8263 4.8263 4.8269 4.8269 k = 0.5000-0.0000 0.5253 ( 9452 PWs) bands (ev): -17.9882 -17.9882 -17.9882 -17.9882 -17.9317 -17.9317 -17.9317 -17.9317 -14.4092 -14.4092 -14.4092 -14.4092 -14.3604 -14.3604 -14.3604 -14.3604 -7.9864 -7.9864 -7.9863 -7.9863 -7.9049 -7.9049 -7.9049 -7.9049 -6.5610 -6.5610 -6.5607 -6.5607 -6.4702 -6.4702 -6.4702 -6.4702 -5.9315 -5.9315 -5.9312 -5.9312 -5.6219 -5.6219 -5.6216 -5.6216 -3.9234 -3.9234 -3.9222 -3.9222 -3.8422 -3.8422 -3.8416 -3.8416 -3.4118 -3.4118 -3.4099 -3.4099 -3.2911 -3.2911 -3.2891 -3.2891 -3.1672 -3.1672 -3.1656 -3.1656 -3.0046 -3.0046 -3.0041 -3.0041 4.5300 4.5300 4.5339 4.5339 4.6180 4.6180 4.6181 4.6181 4.8268 4.8268 4.8274 4.8274 Writing output data file H3C2N.save init_run : 1.08s CPU 0.72s WALL ( 1 calls) electrons : 387.24s CPU 297.78s WALL ( 1 calls) Called by init_run: wfcinit : 0.02s CPU 0.02s WALL ( 1 calls) potinit : 0.16s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 387.23s CPU 297.77s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.01s WALL ( 1 calls) newd : 0.07s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.21s CPU 0.24s WALL ( 229 calls) cegterg : 320.80s CPU 259.61s WALL ( 297 calls) Called by sum_band: Called by *egterg: h_psi : 225.99s CPU 147.98s WALL ( 5166 calls) s_psi : 14.50s CPU 11.09s WALL ( 5166 calls) g_psi : 0.60s CPU 0.54s WALL ( 4640 calls) cdiaghg : 88.55s CPU 86.25s WALL ( 4869 calls) cegterg:over : 16.90s CPU 16.28s WALL ( 4640 calls) cegterg:upda : 15.46s CPU 14.90s WALL ( 4640 calls) cegterg:last : 6.59s CPU 6.57s WALL ( 755 calls) cdiaghg:chol : 5.10s CPU 5.05s WALL ( 4869 calls) cdiaghg:inve : 3.84s CPU 3.64s WALL ( 4869 calls) cdiaghg:para : 6.28s CPU 6.48s WALL ( 9738 calls) Called by h_psi: h_psi:vloc : 196.73s CPU 125.25s WALL ( 5166 calls) h_psi:vnl : 28.54s CPU 22.13s WALL ( 5166 calls) add_vuspsi : 13.26s CPU 10.16s WALL ( 5166 calls) General routines calbec : 15.25s CPU 11.95s WALL ( 5166 calls) fft : 0.05s CPU 0.03s WALL ( 19 calls) ffts : 0.04s CPU 0.02s WALL ( 4 calls) fftw : 184.57s CPU 115.65s WALL ( 829716 calls) interpolate : 0.04s CPU 0.02s WALL ( 4 calls) davcio : 0.47s CPU 1.63s WALL ( 458 calls) Parallel routines fft_scatter : 62.80s CPU 48.07s WALL ( 829739 calls) PWSCF : 6m55.00s CPU 5m44.89s WALL This run was terminated on: 0:32:37 4Aug2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=