Program PWSCF v.5.1.1 starts on 24Nov2015 at 17:12:45 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./Ge2N2O.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 50 29 8 1846 811 126 Max 51 30 9 1853 825 129 Sum 2425 1405 409 88727 39201 6131 bravais-lattice index = 14 lattice parameter (alat) = 10.2583 a.u. unit-cell volume = 900.2903 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.258259 celldm(2)= 1.000000 celldm(3)= 0.934339 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.450848 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.450848 0.892601 0.000000 ) a(3) = ( 0.000000 0.000000 0.934339 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.505095 -0.000000 ) b(2) = ( 0.000000 1.120322 -0.000000 ) b(3) = ( 0.000000 0.000000 1.070276 ) PseudoPot. # 1 for Ge read from file: /home/autes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 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 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for N read from file: /home/autes/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 Ge 4.00 72.64000 Ge( 1.00) O 6.00 15.99940 O( 1.00) N 5.00 14.00670 N( 1.00) 2 Sym. Ops. (no inversion) found ( 1 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 [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.4671694 ) double point group C_2 (2) there are 4 classes and 2 irreducible representations the character table: E -E C2 -C2 G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E C2 -C2 G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 C2 2 -E -1 -C2 -2 Cartesian axes number of k points= 358 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 2) = ( 0.0088366 0.0143631 -0.0000000), wk = 0.0027933 k( 3) = ( 0.0176731 0.0287262 -0.0000000), wk = 0.0027933 k( 4) = ( 0.0265097 0.0430893 -0.0000000), wk = 0.0027933 k( 5) = ( 0.0353463 0.0574524 -0.0000000), wk = 0.0027933 k( 6) = ( 0.0441828 0.0718155 -0.0000000), wk = 0.0027933 k( 7) = ( 0.0530194 0.0861786 -0.0000000), wk = 0.0027933 k( 8) = ( 0.0618559 0.1005417 -0.0000000), wk = 0.0027933 k( 9) = ( 0.0706925 0.1149048 -0.0000000), wk = 0.0027933 k( 10) = ( 0.0795291 0.1292679 -0.0000000), wk = 0.0027933 k( 11) = ( 0.0883656 0.1436310 -0.0000000), wk = 0.0027933 k( 12) = ( 0.0972022 0.1579941 -0.0000000), wk = 0.0027933 k( 13) = ( 0.1060388 0.1723572 -0.0000000), wk = 0.0027933 k( 14) = ( 0.1148753 0.1867203 -0.0000000), wk = 0.0027933 k( 15) = ( 0.1237119 0.2010834 -0.0000000), wk = 0.0027933 k( 16) = ( 0.1325484 0.2154465 -0.0000000), wk = 0.0027933 k( 17) = ( 0.1413850 0.2298096 -0.0000000), wk = 0.0027933 k( 18) = ( 0.1502216 0.2441727 -0.0000000), wk = 0.0027933 k( 19) = ( 0.1590581 0.2585358 -0.0000000), wk = 0.0027933 k( 20) = ( 0.1678947 0.2728989 -0.0000000), wk = 0.0027933 k( 21) = ( 0.1767313 0.2872621 -0.0000000), wk = 0.0027933 k( 22) = ( 0.1855678 0.3016252 -0.0000000), wk = 0.0027933 k( 23) = ( 0.1944044 0.3159883 -0.0000000), wk = 0.0027933 k( 24) = ( 0.2032409 0.3303514 -0.0000000), wk = 0.0027933 k( 25) = ( 0.2120775 0.3447145 -0.0000000), wk = 0.0027933 k( 26) = ( 0.2209141 0.3590776 -0.0000000), wk = 0.0027933 k( 27) = ( 0.2297506 0.3734407 -0.0000000), wk = 0.0027933 k( 28) = ( 0.2385872 0.3878038 -0.0000000), wk = 0.0027933 k( 29) = ( 0.2474237 0.4021669 -0.0000000), wk = 0.0027933 k( 30) = ( 0.2562603 0.4165300 -0.0000000), wk = 0.0027933 k( 31) = ( 0.2650969 0.4308931 -0.0000000), wk = 0.0027933 k( 32) = ( 0.2739334 0.4452562 -0.0000000), wk = 0.0027933 k( 33) = ( 0.2827700 0.4596193 -0.0000000), wk = 0.0027933 k( 34) = ( 0.2916066 0.4739824 -0.0000000), wk = 0.0027933 k( 35) = ( 0.3004431 0.4883455 -0.0000000), wk = 0.0027933 k( 36) = ( 0.3092797 0.5027086 -0.0000000), wk = 0.0027933 k( 37) = ( 0.3181162 0.5170717 -0.0000000), wk = 0.0027933 k( 38) = ( 0.3269528 0.5314348 -0.0000000), wk = 0.0027933 k( 39) = ( 0.3357894 0.5457979 -0.0000000), wk = 0.0027933 k( 40) = ( 0.3446259 0.5601610 -0.0000000), wk = 0.0027933 k( 41) = ( 0.3446259 0.5601610 -0.0000000), wk = 0.0027933 k( 42) = ( 0.3273946 0.5601610 -0.0000000), wk = 0.0027933 k( 43) = ( 0.3101633 0.5601610 -0.0000000), wk = 0.0027933 k( 44) = ( 0.2929320 0.5601610 -0.0000000), wk = 0.0027933 k( 45) = ( 0.2757007 0.5601610 -0.0000000), wk = 0.0027933 k( 46) = ( 0.2584694 0.5601610 -0.0000000), wk = 0.0027933 k( 47) = ( 0.2412382 0.5601610 -0.0000000), wk = 0.0027933 k( 48) = ( 0.2240069 0.5601610 -0.0000000), wk = 0.0027933 k( 49) = ( 0.2067756 0.5601610 -0.0000000), wk = 0.0027933 k( 50) = ( 0.1895443 0.5601610 -0.0000000), wk = 0.0027933 k( 51) = ( 0.1723130 0.5601610 -0.0000000), wk = 0.0027933 k( 52) = ( 0.1550817 0.5601610 -0.0000000), wk = 0.0027933 k( 53) = ( 0.1378504 0.5601610 -0.0000000), wk = 0.0027933 k( 54) = ( 0.1206191 0.5601610 -0.0000000), wk = 0.0027933 k( 55) = ( 0.1033878 0.5601610 -0.0000000), wk = 0.0027933 k( 56) = ( 0.0861565 0.5601610 -0.0000000), wk = 0.0027933 k( 57) = ( 0.0689252 0.5601610 -0.0000000), wk = 0.0027933 k( 58) = ( 0.0516939 0.5601610 -0.0000000), wk = 0.0027933 k( 59) = ( 0.0344626 0.5601610 -0.0000000), wk = 0.0027933 k( 60) = ( 0.0172313 0.5601610 -0.0000000), wk = 0.0027933 k( 61) = ( 0.0000000 0.5601610 -0.0000000), wk = 0.0027933 k( 62) = ( 0.0000000 0.5601610 -0.0000000), wk = 0.0027933 k( 63) = ( 0.0000000 0.5601610 0.0172625), wk = 0.0027933 k( 64) = ( 0.0000000 0.5601610 0.0345250), wk = 0.0027933 k( 65) = ( 0.0000000 0.5601610 0.0517875), wk = 0.0027933 k( 66) = ( 0.0000000 0.5601610 0.0690500), wk = 0.0027933 k( 67) = ( 0.0000000 0.5601610 0.0863125), wk = 0.0027933 k( 68) = ( 0.0000000 0.5601610 0.1035750), wk = 0.0027933 k( 69) = ( 0.0000000 0.5601610 0.1208376), wk = 0.0027933 k( 70) = ( 0.0000000 0.5601610 0.1381001), wk = 0.0027933 k( 71) = ( 0.0000000 0.5601610 0.1553626), wk = 0.0027933 k( 72) = ( 0.0000000 0.5601610 0.1726251), wk = 0.0027933 k( 73) = ( 0.0000000 0.5601610 0.1898876), wk = 0.0027933 k( 74) = ( 0.0000000 0.5601610 0.2071501), wk = 0.0027933 k( 75) = ( 0.0000000 0.5601610 0.2244126), wk = 0.0027933 k( 76) = ( 0.0000000 0.5601610 0.2416751), wk = 0.0027933 k( 77) = ( 0.0000000 0.5601610 0.2589376), wk = 0.0027933 k( 78) = ( 0.0000000 0.5601610 0.2762001), wk = 0.0027933 k( 79) = ( 0.0000000 0.5601610 0.2934626), wk = 0.0027933 k( 80) = ( 0.0000000 0.5601610 0.3107251), wk = 0.0027933 k( 81) = ( 0.0000000 0.5601610 0.3279877), wk = 0.0027933 k( 82) = ( 0.0000000 0.5601610 0.3452502), wk = 0.0027933 k( 83) = ( 0.0000000 0.5601610 0.3625127), wk = 0.0027933 k( 84) = ( 0.0000000 0.5601610 0.3797752), wk = 0.0027933 k( 85) = ( 0.0000000 0.5601610 0.3970377), wk = 0.0027933 k( 86) = ( 0.0000000 0.5601610 0.4143002), wk = 0.0027933 k( 87) = ( 0.0000000 0.5601610 0.4315627), wk = 0.0027933 k( 88) = ( 0.0000000 0.5601610 0.4488252), wk = 0.0027933 k( 89) = ( 0.0000000 0.5601610 0.4660877), wk = 0.0027933 k( 90) = ( 0.0000000 0.5601610 0.4833502), wk = 0.0027933 k( 91) = ( 0.0000000 0.5601610 0.5006127), wk = 0.0027933 k( 92) = ( 0.0000000 0.5601610 0.5178752), wk = 0.0027933 k( 93) = ( 0.0000000 0.5601610 0.5351378), wk = 0.0027933 k( 94) = ( 0.0000000 0.5601610 0.5351378), wk = 0.0027933 k( 95) = ( 0.0172313 0.5601610 0.5351378), wk = 0.0027933 k( 96) = ( 0.0344626 0.5601610 0.5351378), wk = 0.0027933 k( 97) = ( 0.0516939 0.5601610 0.5351378), wk = 0.0027933 k( 98) = ( 0.0689252 0.5601610 0.5351378), wk = 0.0027933 k( 99) = ( 0.0861565 0.5601610 0.5351378), wk = 0.0027933 k( 100) = ( 0.1033878 0.5601610 0.5351378), wk = 0.0027933 k( 101) = ( 0.1206191 0.5601610 0.5351378), wk = 0.0027933 k( 102) = ( 0.1378504 0.5601610 0.5351378), wk = 0.0027933 k( 103) = ( 0.1550817 0.5601610 0.5351378), wk = 0.0027933 k( 104) = ( 0.1723130 0.5601610 0.5351378), wk = 0.0027933 k( 105) = ( 0.1895443 0.5601610 0.5351378), wk = 0.0027933 k( 106) = ( 0.2067756 0.5601610 0.5351378), wk = 0.0027933 k( 107) = ( 0.2240069 0.5601610 0.5351378), wk = 0.0027933 k( 108) = ( 0.2412382 0.5601610 0.5351378), wk = 0.0027933 k( 109) = ( 0.2584694 0.5601610 0.5351378), wk = 0.0027933 k( 110) = ( 0.2757007 0.5601610 0.5351378), wk = 0.0027933 k( 111) = ( 0.2929320 0.5601610 0.5351378), wk = 0.0027933 k( 112) = ( 0.3101633 0.5601610 0.5351378), wk = 0.0027933 k( 113) = ( 0.3273946 0.5601610 0.5351378), wk = 0.0027933 k( 114) = ( 0.3446259 0.5601610 0.5351378), wk = 0.0027933 k( 115) = ( 0.3446259 0.5601610 0.5351378), wk = 0.0027933 k( 116) = ( 0.3357894 0.5457979 0.5351378), wk = 0.0027933 k( 117) = ( 0.3269528 0.5314348 0.5351378), wk = 0.0027933 k( 118) = ( 0.3181162 0.5170717 0.5351378), wk = 0.0027933 k( 119) = ( 0.3092797 0.5027086 0.5351378), wk = 0.0027933 k( 120) = ( 0.3004431 0.4883455 0.5351378), wk = 0.0027933 k( 121) = ( 0.2916066 0.4739824 0.5351378), wk = 0.0027933 k( 122) = ( 0.2827700 0.4596193 0.5351378), wk = 0.0027933 k( 123) = ( 0.2739334 0.4452562 0.5351378), wk = 0.0027933 k( 124) = ( 0.2650969 0.4308931 0.5351378), wk = 0.0027933 k( 125) = ( 0.2562603 0.4165300 0.5351378), wk = 0.0027933 k( 126) = ( 0.2474237 0.4021669 0.5351378), wk = 0.0027933 k( 127) = ( 0.2385872 0.3878038 0.5351378), wk = 0.0027933 k( 128) = ( 0.2297506 0.3734407 0.5351378), wk = 0.0027933 k( 129) = ( 0.2209141 0.3590776 0.5351378), wk = 0.0027933 k( 130) = ( 0.2120775 0.3447145 0.5351378), wk = 0.0027933 k( 131) = ( 0.2032409 0.3303514 0.5351378), wk = 0.0027933 k( 132) = ( 0.1944044 0.3159883 0.5351378), wk = 0.0027933 k( 133) = ( 0.1855678 0.3016252 0.5351378), wk = 0.0027933 k( 134) = ( 0.1767313 0.2872621 0.5351378), wk = 0.0027933 k( 135) = ( 0.1678947 0.2728989 0.5351378), wk = 0.0027933 k( 136) = ( 0.1590581 0.2585358 0.5351378), wk = 0.0027933 k( 137) = ( 0.1502216 0.2441727 0.5351378), wk = 0.0027933 k( 138) = ( 0.1413850 0.2298096 0.5351378), wk = 0.0027933 k( 139) = ( 0.1325484 0.2154465 0.5351378), wk = 0.0027933 k( 140) = ( 0.1237119 0.2010834 0.5351378), wk = 0.0027933 k( 141) = ( 0.1148753 0.1867203 0.5351378), wk = 0.0027933 k( 142) = ( 0.1060388 0.1723572 0.5351378), wk = 0.0027933 k( 143) = ( 0.0972022 0.1579941 0.5351378), wk = 0.0027933 k( 144) = ( 0.0883656 0.1436310 0.5351378), wk = 0.0027933 k( 145) = ( 0.0795291 0.1292679 0.5351378), wk = 0.0027933 k( 146) = ( 0.0706925 0.1149048 0.5351378), wk = 0.0027933 k( 147) = ( 0.0618559 0.1005417 0.5351378), wk = 0.0027933 k( 148) = ( 0.0530194 0.0861786 0.5351378), wk = 0.0027933 k( 149) = ( 0.0441828 0.0718155 0.5351378), wk = 0.0027933 k( 150) = ( 0.0353463 0.0574524 0.5351378), wk = 0.0027933 k( 151) = ( 0.0265097 0.0430893 0.5351378), wk = 0.0027933 k( 152) = ( 0.0176731 0.0287262 0.5351378), wk = 0.0027933 k( 153) = ( 0.0088366 0.0143631 0.5351378), wk = 0.0027933 k( 154) = ( 0.0000000 0.0000000 0.5351378), wk = 0.0027933 k( 155) = ( 0.0000000 0.0000000 0.5351378), wk = 0.0027933 k( 156) = ( 0.0000000 0.0000000 0.5178752), wk = 0.0027933 k( 157) = ( 0.0000000 0.0000000 0.5006127), wk = 0.0027933 k( 158) = ( 0.0000000 0.0000000 0.4833502), wk = 0.0027933 k( 159) = ( 0.0000000 0.0000000 0.4660877), wk = 0.0027933 k( 160) = ( 0.0000000 0.0000000 0.4488252), wk = 0.0027933 k( 161) = ( 0.0000000 0.0000000 0.4315627), wk = 0.0027933 k( 162) = ( 0.0000000 0.0000000 0.4143002), wk = 0.0027933 k( 163) = ( 0.0000000 0.0000000 0.3970377), wk = 0.0027933 k( 164) = ( 0.0000000 0.0000000 0.3797752), wk = 0.0027933 k( 165) = ( 0.0000000 0.0000000 0.3625127), wk = 0.0027933 k( 166) = ( 0.0000000 0.0000000 0.3452502), wk = 0.0027933 k( 167) = ( 0.0000000 0.0000000 0.3279877), wk = 0.0027933 k( 168) = ( 0.0000000 0.0000000 0.3107251), wk = 0.0027933 k( 169) = ( 0.0000000 0.0000000 0.2934626), wk = 0.0027933 k( 170) = ( 0.0000000 0.0000000 0.2762001), wk = 0.0027933 k( 171) = ( 0.0000000 0.0000000 0.2589376), wk = 0.0027933 k( 172) = ( 0.0000000 0.0000000 0.2416751), wk = 0.0027933 k( 173) = ( 0.0000000 0.0000000 0.2244126), wk = 0.0027933 k( 174) = ( 0.0000000 0.0000000 0.2071501), wk = 0.0027933 k( 175) = ( 0.0000000 0.0000000 0.1898876), wk = 0.0027933 k( 176) = ( 0.0000000 0.0000000 0.1726251), wk = 0.0027933 k( 177) = ( 0.0000000 0.0000000 0.1553626), wk = 0.0027933 k( 178) = ( 0.0000000 0.0000000 0.1381001), wk = 0.0027933 k( 179) = ( 0.0000000 0.0000000 0.1208376), wk = 0.0027933 k( 180) = ( 0.0000000 0.0000000 0.1035750), wk = 0.0027933 k( 181) = ( 0.0000000 0.0000000 0.0863125), wk = 0.0027933 k( 182) = ( 0.0000000 0.0000000 0.0690500), wk = 0.0027933 k( 183) = ( 0.0000000 0.0000000 0.0517875), wk = 0.0027933 k( 184) = ( 0.0000000 0.0000000 0.0345250), wk = 0.0027933 k( 185) = ( 0.0000000 0.0000000 0.0172625), wk = 0.0027933 k( 186) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 187) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 188) = ( -0.0147059 0.0090474 0.0000000), wk = 0.0027933 k( 189) = ( -0.0294118 0.0180949 0.0000000), wk = 0.0027933 k( 190) = ( -0.0441177 0.0271424 0.0000000), wk = 0.0027933 k( 191) = ( -0.0588235 0.0361898 0.0000000), wk = 0.0027933 k( 192) = ( -0.0735294 0.0452372 0.0000000), wk = 0.0027933 k( 193) = ( -0.0882353 0.0542847 0.0000000), wk = 0.0027933 k( 194) = ( -0.1029412 0.0633321 0.0000000), wk = 0.0027933 k( 195) = ( -0.1176471 0.0723796 0.0000000), wk = 0.0027933 k( 196) = ( -0.1323529 0.0814270 0.0000000), wk = 0.0027933 k( 197) = ( -0.1470588 0.0904745 0.0000000), wk = 0.0027933 k( 198) = ( -0.1617647 0.0995219 0.0000000), wk = 0.0027933 k( 199) = ( -0.1764706 0.1085694 0.0000000), wk = 0.0027933 k( 200) = ( -0.1911765 0.1176168 0.0000000), wk = 0.0027933 k( 201) = ( -0.2058823 0.1266643 0.0000000), wk = 0.0027933 k( 202) = ( -0.2205882 0.1357117 0.0000000), wk = 0.0027933 k( 203) = ( -0.2352941 0.1447592 0.0000000), wk = 0.0027933 k( 204) = ( -0.2500000 0.1538066 0.0000000), wk = 0.0027933 k( 205) = ( -0.2647059 0.1628541 0.0000000), wk = 0.0027933 k( 206) = ( -0.2794118 0.1719015 0.0000000), wk = 0.0027933 k( 207) = ( -0.2941177 0.1809490 0.0000000), wk = 0.0027933 k( 208) = ( -0.3088235 0.1899964 0.0000000), wk = 0.0027933 k( 209) = ( -0.3235294 0.1990439 0.0000000), wk = 0.0027933 k( 210) = ( -0.3382353 0.2080913 0.0000000), wk = 0.0027933 k( 211) = ( -0.3529412 0.2171388 0.0000000), wk = 0.0027933 k( 212) = ( -0.3676471 0.2261862 0.0000000), wk = 0.0027933 k( 213) = ( -0.3823529 0.2352337 0.0000000), wk = 0.0027933 k( 214) = ( -0.3970588 0.2442811 0.0000000), wk = 0.0027933 k( 215) = ( -0.4117647 0.2533286 0.0000000), wk = 0.0027933 k( 216) = ( -0.4264706 0.2623760 0.0000000), wk = 0.0027933 k( 217) = ( -0.4411765 0.2714235 0.0000000), wk = 0.0027933 k( 218) = ( -0.4558823 0.2804709 0.0000000), wk = 0.0027933 k( 219) = ( -0.4705882 0.2895184 0.0000000), wk = 0.0027933 k( 220) = ( -0.4852941 0.2985658 0.0000000), wk = 0.0027933 k( 221) = ( -0.5000000 0.3076133 0.0000000), wk = 0.0027933 k( 222) = ( -0.5000000 0.3076133 0.0000000), wk = 0.0027933 k( 223) = ( -0.4913681 0.3216437 -0.0000000), wk = 0.0027933 k( 224) = ( -0.4827362 0.3356741 -0.0000000), wk = 0.0027933 k( 225) = ( -0.4741043 0.3497046 -0.0000000), wk = 0.0027933 k( 226) = ( -0.4654724 0.3637350 -0.0000000), wk = 0.0027933 k( 227) = ( -0.4568405 0.3777654 -0.0000000), wk = 0.0027933 k( 228) = ( -0.4482086 0.3917959 -0.0000000), wk = 0.0027933 k( 229) = ( -0.4395768 0.4058263 -0.0000000), wk = 0.0027933 k( 230) = ( -0.4309449 0.4198567 -0.0000000), wk = 0.0027933 k( 231) = ( -0.4223130 0.4338871 -0.0000000), wk = 0.0027933 k( 232) = ( -0.4136811 0.4479176 -0.0000000), wk = 0.0027933 k( 233) = ( -0.4050492 0.4619480 -0.0000000), wk = 0.0027933 k( 234) = ( -0.3964173 0.4759784 -0.0000000), wk = 0.0027933 k( 235) = ( -0.3877854 0.4900089 -0.0000000), wk = 0.0027933 k( 236) = ( -0.3791535 0.5040393 -0.0000000), wk = 0.0027933 k( 237) = ( -0.3705216 0.5180697 -0.0000000), wk = 0.0027933 k( 238) = ( -0.3618897 0.5321001 -0.0000000), wk = 0.0027933 k( 239) = ( -0.3532578 0.5461306 -0.0000000), wk = 0.0027933 k( 240) = ( -0.3446259 0.5601610 -0.0000000), wk = 0.0027933 k( 241) = ( -0.3446259 0.5601610 -0.0000000), wk = 0.0027933 k( 242) = ( -0.3446259 0.5601610 0.0172625), wk = 0.0027933 k( 243) = ( -0.3446259 0.5601610 0.0345250), wk = 0.0027933 k( 244) = ( -0.3446259 0.5601610 0.0517875), wk = 0.0027933 k( 245) = ( -0.3446259 0.5601610 0.0690500), wk = 0.0027933 k( 246) = ( -0.3446259 0.5601610 0.0863125), wk = 0.0027933 k( 247) = ( -0.3446259 0.5601610 0.1035750), wk = 0.0027933 k( 248) = ( -0.3446259 0.5601610 0.1208376), wk = 0.0027933 k( 249) = ( -0.3446259 0.5601610 0.1381001), wk = 0.0027933 k( 250) = ( -0.3446259 0.5601610 0.1553626), wk = 0.0027933 k( 251) = ( -0.3446259 0.5601610 0.1726251), wk = 0.0027933 k( 252) = ( -0.3446259 0.5601610 0.1898876), wk = 0.0027933 k( 253) = ( -0.3446259 0.5601610 0.2071501), wk = 0.0027933 k( 254) = ( -0.3446259 0.5601610 0.2244126), wk = 0.0027933 k( 255) = ( -0.3446259 0.5601610 0.2416751), wk = 0.0027933 k( 256) = ( -0.3446259 0.5601610 0.2589376), wk = 0.0027933 k( 257) = ( -0.3446259 0.5601610 0.2762001), wk = 0.0027933 k( 258) = ( -0.3446259 0.5601610 0.2934626), wk = 0.0027933 k( 259) = ( -0.3446259 0.5601610 0.3107251), wk = 0.0027933 k( 260) = ( -0.3446259 0.5601610 0.3279877), wk = 0.0027933 k( 261) = ( -0.3446259 0.5601610 0.3452502), wk = 0.0027933 k( 262) = ( -0.3446259 0.5601610 0.3625127), wk = 0.0027933 k( 263) = ( -0.3446259 0.5601610 0.3797752), wk = 0.0027933 k( 264) = ( -0.3446259 0.5601610 0.3970377), wk = 0.0027933 k( 265) = ( -0.3446259 0.5601610 0.4143002), wk = 0.0027933 k( 266) = ( -0.3446259 0.5601610 0.4315627), wk = 0.0027933 k( 267) = ( -0.3446259 0.5601610 0.4488252), wk = 0.0027933 k( 268) = ( -0.3446259 0.5601610 0.4660877), wk = 0.0027933 k( 269) = ( -0.3446259 0.5601610 0.4833502), wk = 0.0027933 k( 270) = ( -0.3446259 0.5601610 0.5006127), wk = 0.0027933 k( 271) = ( -0.3446259 0.5601610 0.5178752), wk = 0.0027933 k( 272) = ( -0.3446259 0.5601610 0.5351378), wk = 0.0027933 k( 273) = ( -0.3446259 0.5601610 0.5351378), wk = 0.0027933 k( 274) = ( -0.3532578 0.5461306 0.5351378), wk = 0.0027933 k( 275) = ( -0.3618897 0.5321001 0.5351378), wk = 0.0027933 k( 276) = ( -0.3705216 0.5180697 0.5351378), wk = 0.0027933 k( 277) = ( -0.3791535 0.5040393 0.5351378), wk = 0.0027933 k( 278) = ( -0.3877854 0.4900089 0.5351378), wk = 0.0027933 k( 279) = ( -0.3964173 0.4759784 0.5351378), wk = 0.0027933 k( 280) = ( -0.4050492 0.4619480 0.5351378), wk = 0.0027933 k( 281) = ( -0.4136811 0.4479176 0.5351378), wk = 0.0027933 k( 282) = ( -0.4223130 0.4338871 0.5351378), wk = 0.0027933 k( 283) = ( -0.4309449 0.4198567 0.5351378), wk = 0.0027933 k( 284) = ( -0.4395768 0.4058263 0.5351378), wk = 0.0027933 k( 285) = ( -0.4482086 0.3917959 0.5351378), wk = 0.0027933 k( 286) = ( -0.4568405 0.3777654 0.5351378), wk = 0.0027933 k( 287) = ( -0.4654724 0.3637350 0.5351378), wk = 0.0027933 k( 288) = ( -0.4741043 0.3497046 0.5351378), wk = 0.0027933 k( 289) = ( -0.4827362 0.3356741 0.5351378), wk = 0.0027933 k( 290) = ( -0.4913681 0.3216437 0.5351378), wk = 0.0027933 k( 291) = ( -0.5000000 0.3076133 0.5351378), wk = 0.0027933 k( 292) = ( -0.5000000 0.3076133 0.5351378), wk = 0.0027933 k( 293) = ( -0.5000000 0.3076133 0.5178752), wk = 0.0027933 k( 294) = ( -0.5000000 0.3076133 0.5006127), wk = 0.0027933 k( 295) = ( -0.5000000 0.3076133 0.4833502), wk = 0.0027933 k( 296) = ( -0.5000000 0.3076133 0.4660877), wk = 0.0027933 k( 297) = ( -0.5000000 0.3076133 0.4488252), wk = 0.0027933 k( 298) = ( -0.5000000 0.3076133 0.4315627), wk = 0.0027933 k( 299) = ( -0.5000000 0.3076133 0.4143002), wk = 0.0027933 k( 300) = ( -0.5000000 0.3076133 0.3970377), wk = 0.0027933 k( 301) = ( -0.5000000 0.3076133 0.3797752), wk = 0.0027933 k( 302) = ( -0.5000000 0.3076133 0.3625127), wk = 0.0027933 k( 303) = ( -0.5000000 0.3076133 0.3452502), wk = 0.0027933 k( 304) = ( -0.5000000 0.3076133 0.3279877), wk = 0.0027933 k( 305) = ( -0.5000000 0.3076133 0.3107251), wk = 0.0027933 k( 306) = ( -0.5000000 0.3076133 0.2934626), wk = 0.0027933 k( 307) = ( -0.5000000 0.3076133 0.2762001), wk = 0.0027933 k( 308) = ( -0.5000000 0.3076133 0.2589376), wk = 0.0027933 k( 309) = ( -0.5000000 0.3076133 0.2416751), wk = 0.0027933 k( 310) = ( -0.5000000 0.3076133 0.2244126), wk = 0.0027933 k( 311) = ( -0.5000000 0.3076133 0.2071501), wk = 0.0027933 k( 312) = ( -0.5000000 0.3076133 0.1898876), wk = 0.0027933 k( 313) = ( -0.5000000 0.3076133 0.1726251), wk = 0.0027933 k( 314) = ( -0.5000000 0.3076133 0.1553626), wk = 0.0027933 k( 315) = ( -0.5000000 0.3076133 0.1381001), wk = 0.0027933 k( 316) = ( -0.5000000 0.3076133 0.1208376), wk = 0.0027933 k( 317) = ( -0.5000000 0.3076133 0.1035750), wk = 0.0027933 k( 318) = ( -0.5000000 0.3076133 0.0863125), wk = 0.0027933 k( 319) = ( -0.5000000 0.3076133 0.0690500), wk = 0.0027933 k( 320) = ( -0.5000000 0.3076133 0.0517875), wk = 0.0027933 k( 321) = ( -0.5000000 0.3076133 0.0345250), wk = 0.0027933 k( 322) = ( -0.5000000 0.3076133 0.0172625), wk = 0.0027933 k( 323) = ( -0.5000000 0.3076133 0.0000000), wk = 0.0027933 k( 324) = ( 0.0000000 0.0000000 0.5351378), wk = 0.0027933 k( 325) = ( -0.0147059 0.0090474 0.5351378), wk = 0.0027933 k( 326) = ( -0.0294118 0.0180949 0.5351378), wk = 0.0027933 k( 327) = ( -0.0441177 0.0271424 0.5351378), wk = 0.0027933 k( 328) = ( -0.0588235 0.0361898 0.5351378), wk = 0.0027933 k( 329) = ( -0.0735294 0.0452372 0.5351378), wk = 0.0027933 k( 330) = ( -0.0882353 0.0542847 0.5351378), wk = 0.0027933 k( 331) = ( -0.1029412 0.0633321 0.5351378), wk = 0.0027933 k( 332) = ( -0.1176471 0.0723796 0.5351378), wk = 0.0027933 k( 333) = ( -0.1323529 0.0814270 0.5351378), wk = 0.0027933 k( 334) = ( -0.1470588 0.0904745 0.5351378), wk = 0.0027933 k( 335) = ( -0.1617647 0.0995219 0.5351378), wk = 0.0027933 k( 336) = ( -0.1764706 0.1085694 0.5351378), wk = 0.0027933 k( 337) = ( -0.1911765 0.1176168 0.5351378), wk = 0.0027933 k( 338) = ( -0.2058823 0.1266643 0.5351378), wk = 0.0027933 k( 339) = ( -0.2205882 0.1357117 0.5351378), wk = 0.0027933 k( 340) = ( -0.2352941 0.1447592 0.5351378), wk = 0.0027933 k( 341) = ( -0.2500000 0.1538066 0.5351378), wk = 0.0027933 k( 342) = ( -0.2647059 0.1628541 0.5351378), wk = 0.0027933 k( 343) = ( -0.2794118 0.1719015 0.5351378), wk = 0.0027933 k( 344) = ( -0.2941177 0.1809490 0.5351378), wk = 0.0027933 k( 345) = ( -0.3088235 0.1899964 0.5351378), wk = 0.0027933 k( 346) = ( -0.3235294 0.1990439 0.5351378), wk = 0.0027933 k( 347) = ( -0.3382353 0.2080913 0.5351378), wk = 0.0027933 k( 348) = ( -0.3529412 0.2171388 0.5351378), wk = 0.0027933 k( 349) = ( -0.3676471 0.2261862 0.5351378), wk = 0.0027933 k( 350) = ( -0.3823529 0.2352337 0.5351378), wk = 0.0027933 k( 351) = ( -0.3970588 0.2442811 0.5351378), wk = 0.0027933 k( 352) = ( -0.4117647 0.2533286 0.5351378), wk = 0.0027933 k( 353) = ( -0.4264706 0.2623760 0.5351378), wk = 0.0027933 k( 354) = ( -0.4411765 0.2714235 0.5351378), wk = 0.0027933 k( 355) = ( -0.4558823 0.2804709 0.5351378), wk = 0.0027933 k( 356) = ( -0.4705882 0.2895184 0.5351378), wk = 0.0027933 k( 357) = ( -0.4852941 0.2985658 0.5351378), wk = 0.0027933 k( 358) = ( -0.5000000 0.3076133 0.5351378), wk = 0.0027933 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 2) = ( 0.0088366 0.0088366 0.0000000), wk = 0.0027933 k( 3) = ( 0.0176731 0.0176731 0.0000000), wk = 0.0027933 k( 4) = ( 0.0265097 0.0265097 0.0000000), wk = 0.0027933 k( 5) = ( 0.0353463 0.0353463 0.0000000), wk = 0.0027933 k( 6) = ( 0.0441828 0.0441828 0.0000000), wk = 0.0027933 k( 7) = ( 0.0530194 0.0530194 0.0000000), wk = 0.0027933 k( 8) = ( 0.0618559 0.0618559 0.0000000), wk = 0.0027933 k( 9) = ( 0.0706925 0.0706925 0.0000000), wk = 0.0027933 k( 10) = ( 0.0795291 0.0795291 0.0000000), wk = 0.0027933 k( 11) = ( 0.0883656 0.0883656 0.0000000), wk = 0.0027933 k( 12) = ( 0.0972022 0.0972022 0.0000000), wk = 0.0027933 k( 13) = ( 0.1060388 0.1060388 0.0000000), wk = 0.0027933 k( 14) = ( 0.1148753 0.1148753 0.0000000), wk = 0.0027933 k( 15) = ( 0.1237119 0.1237119 0.0000000), wk = 0.0027933 k( 16) = ( 0.1325484 0.1325484 0.0000000), wk = 0.0027933 k( 17) = ( 0.1413850 0.1413850 0.0000000), wk = 0.0027933 k( 18) = ( 0.1502216 0.1502216 0.0000000), wk = 0.0027933 k( 19) = ( 0.1590581 0.1590581 0.0000000), wk = 0.0027933 k( 20) = ( 0.1678947 0.1678947 0.0000000), wk = 0.0027933 k( 21) = ( 0.1767313 0.1767313 0.0000000), wk = 0.0027933 k( 22) = ( 0.1855678 0.1855678 0.0000000), wk = 0.0027933 k( 23) = ( 0.1944044 0.1944044 0.0000000), wk = 0.0027933 k( 24) = ( 0.2032409 0.2032409 -0.0000000), wk = 0.0027933 k( 25) = ( 0.2120775 0.2120775 0.0000000), wk = 0.0027933 k( 26) = ( 0.2209141 0.2209141 0.0000000), wk = 0.0027933 k( 27) = ( 0.2297506 0.2297506 0.0000000), wk = 0.0027933 k( 28) = ( 0.2385872 0.2385872 -0.0000000), wk = 0.0027933 k( 29) = ( 0.2474237 0.2474237 0.0000000), wk = 0.0027933 k( 30) = ( 0.2562603 0.2562603 0.0000000), wk = 0.0027933 k( 31) = ( 0.2650969 0.2650969 0.0000000), wk = 0.0027933 k( 32) = ( 0.2739334 0.2739334 0.0000000), wk = 0.0027933 k( 33) = ( 0.2827700 0.2827700 0.0000000), wk = 0.0027933 k( 34) = ( 0.2916066 0.2916066 0.0000000), wk = 0.0027933 k( 35) = ( 0.3004431 0.3004431 0.0000000), wk = 0.0027933 k( 36) = ( 0.3092797 0.3092797 0.0000000), wk = 0.0027933 k( 37) = ( 0.3181162 0.3181162 0.0000000), wk = 0.0027933 k( 38) = ( 0.3269528 0.3269528 0.0000000), wk = 0.0027933 k( 39) = ( 0.3357894 0.3357894 0.0000000), wk = 0.0027933 k( 40) = ( 0.3446259 0.3446259 0.0000000), wk = 0.0027933 k( 41) = ( 0.3446259 0.3446259 0.0000000), wk = 0.0027933 k( 42) = ( 0.3273946 0.3523946 0.0000000), wk = 0.0027933 k( 43) = ( 0.3101633 0.3601633 0.0000000), wk = 0.0027933 k( 44) = ( 0.2929320 0.3679320 -0.0000000), wk = 0.0027933 k( 45) = ( 0.2757007 0.3757007 0.0000000), wk = 0.0027933 k( 46) = ( 0.2584694 0.3834694 0.0000000), wk = 0.0027933 k( 47) = ( 0.2412382 0.3912381 -0.0000000), wk = 0.0027933 k( 48) = ( 0.2240069 0.3990068 -0.0000000), wk = 0.0027933 k( 49) = ( 0.2067756 0.4067756 0.0000000), wk = 0.0027933 k( 50) = ( 0.1895443 0.4145443 0.0000000), wk = 0.0027933 k( 51) = ( 0.1723130 0.4223130 -0.0000000), wk = 0.0027933 k( 52) = ( 0.1550817 0.4300817 0.0000000), wk = 0.0027933 k( 53) = ( 0.1378504 0.4378504 0.0000000), wk = 0.0027933 k( 54) = ( 0.1206191 0.4456191 -0.0000000), wk = 0.0027933 k( 55) = ( 0.1033878 0.4533878 0.0000000), wk = 0.0027933 k( 56) = ( 0.0861565 0.4611565 0.0000000), wk = 0.0027933 k( 57) = ( 0.0689252 0.4689252 0.0000000), wk = 0.0027933 k( 58) = ( 0.0516939 0.4766939 0.0000000), wk = 0.0027933 k( 59) = ( 0.0344626 0.4844626 -0.0000000), wk = 0.0027933 k( 60) = ( 0.0172313 0.4922313 0.0000000), wk = 0.0027933 k( 61) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027933 k( 62) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027933 k( 63) = ( 0.0000000 0.5000000 0.0161290), wk = 0.0027933 k( 64) = ( 0.0000000 0.5000000 0.0322581), wk = 0.0027933 k( 65) = ( 0.0000000 0.5000000 0.0483871), wk = 0.0027933 k( 66) = ( 0.0000000 0.5000000 0.0645161), wk = 0.0027933 k( 67) = ( 0.0000000 0.5000000 0.0806452), wk = 0.0027933 k( 68) = ( 0.0000000 0.5000000 0.0967742), wk = 0.0027933 k( 69) = ( 0.0000000 0.5000000 0.1129032), wk = 0.0027933 k( 70) = ( 0.0000000 0.5000000 0.1290323), wk = 0.0027933 k( 71) = ( 0.0000000 0.5000000 0.1451613), wk = 0.0027933 k( 72) = ( 0.0000000 0.5000000 0.1612903), wk = 0.0027933 k( 73) = ( 0.0000000 0.5000000 0.1774194), wk = 0.0027933 k( 74) = ( 0.0000000 0.5000000 0.1935484), wk = 0.0027933 k( 75) = ( 0.0000000 0.5000000 0.2096774), wk = 0.0027933 k( 76) = ( 0.0000000 0.5000000 0.2258065), wk = 0.0027933 k( 77) = ( 0.0000000 0.5000000 0.2419355), wk = 0.0027933 k( 78) = ( 0.0000000 0.5000000 0.2580645), wk = 0.0027933 k( 79) = ( 0.0000000 0.5000000 0.2741936), wk = 0.0027933 k( 80) = ( 0.0000000 0.5000000 0.2903226), wk = 0.0027933 k( 81) = ( 0.0000000 0.5000000 0.3064516), wk = 0.0027933 k( 82) = ( 0.0000000 0.5000000 0.3225807), wk = 0.0027933 k( 83) = ( 0.0000000 0.5000000 0.3387097), wk = 0.0027933 k( 84) = ( 0.0000000 0.5000000 0.3548387), wk = 0.0027933 k( 85) = ( 0.0000000 0.5000000 0.3709677), wk = 0.0027933 k( 86) = ( 0.0000000 0.5000000 0.3870968), wk = 0.0027933 k( 87) = ( 0.0000000 0.5000000 0.4032258), wk = 0.0027933 k( 88) = ( 0.0000000 0.5000000 0.4193548), wk = 0.0027933 k( 89) = ( 0.0000000 0.5000000 0.4354839), wk = 0.0027933 k( 90) = ( 0.0000000 0.5000000 0.4516129), wk = 0.0027933 k( 91) = ( 0.0000000 0.5000000 0.4677419), wk = 0.0027933 k( 92) = ( 0.0000000 0.5000000 0.4838710), wk = 0.0027933 k( 93) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027933 k( 94) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027933 k( 95) = ( 0.0172313 0.4922313 0.5000000), wk = 0.0027933 k( 96) = ( 0.0344626 0.4844626 0.5000000), wk = 0.0027933 k( 97) = ( 0.0516939 0.4766939 0.5000000), wk = 0.0027933 k( 98) = ( 0.0689252 0.4689252 0.5000000), wk = 0.0027933 k( 99) = ( 0.0861565 0.4611565 0.5000000), wk = 0.0027933 k( 100) = ( 0.1033878 0.4533878 0.5000000), wk = 0.0027933 k( 101) = ( 0.1206191 0.4456191 0.5000000), wk = 0.0027933 k( 102) = ( 0.1378504 0.4378504 0.5000000), wk = 0.0027933 k( 103) = ( 0.1550817 0.4300817 0.5000000), wk = 0.0027933 k( 104) = ( 0.1723130 0.4223130 0.5000000), wk = 0.0027933 k( 105) = ( 0.1895443 0.4145443 0.5000000), wk = 0.0027933 k( 106) = ( 0.2067756 0.4067756 0.5000000), wk = 0.0027933 k( 107) = ( 0.2240069 0.3990068 0.5000000), wk = 0.0027933 k( 108) = ( 0.2412382 0.3912381 0.5000000), wk = 0.0027933 k( 109) = ( 0.2584694 0.3834694 0.5000000), wk = 0.0027933 k( 110) = ( 0.2757007 0.3757007 0.5000000), wk = 0.0027933 k( 111) = ( 0.2929320 0.3679320 0.5000000), wk = 0.0027933 k( 112) = ( 0.3101633 0.3601633 0.5000000), wk = 0.0027933 k( 113) = ( 0.3273946 0.3523946 0.5000000), wk = 0.0027933 k( 114) = ( 0.3446259 0.3446259 0.5000000), wk = 0.0027933 k( 115) = ( 0.3446259 0.3446259 0.5000000), wk = 0.0027933 k( 116) = ( 0.3357894 0.3357894 0.5000000), wk = 0.0027933 k( 117) = ( 0.3269528 0.3269528 0.5000000), wk = 0.0027933 k( 118) = ( 0.3181162 0.3181162 0.5000000), wk = 0.0027933 k( 119) = ( 0.3092797 0.3092797 0.5000000), wk = 0.0027933 k( 120) = ( 0.3004431 0.3004431 0.5000000), wk = 0.0027933 k( 121) = ( 0.2916066 0.2916066 0.5000000), wk = 0.0027933 k( 122) = ( 0.2827700 0.2827700 0.5000000), wk = 0.0027933 k( 123) = ( 0.2739334 0.2739334 0.5000000), wk = 0.0027933 k( 124) = ( 0.2650969 0.2650969 0.5000000), wk = 0.0027933 k( 125) = ( 0.2562603 0.2562603 0.5000000), wk = 0.0027933 k( 126) = ( 0.2474237 0.2474237 0.5000000), wk = 0.0027933 k( 127) = ( 0.2385872 0.2385872 0.5000000), wk = 0.0027933 k( 128) = ( 0.2297506 0.2297506 0.5000000), wk = 0.0027933 k( 129) = ( 0.2209141 0.2209141 0.5000000), wk = 0.0027933 k( 130) = ( 0.2120775 0.2120775 0.5000000), wk = 0.0027933 k( 131) = ( 0.2032409 0.2032409 0.5000000), wk = 0.0027933 k( 132) = ( 0.1944044 0.1944044 0.5000000), wk = 0.0027933 k( 133) = ( 0.1855678 0.1855678 0.5000000), wk = 0.0027933 k( 134) = ( 0.1767313 0.1767313 0.5000000), wk = 0.0027933 k( 135) = ( 0.1678947 0.1678947 0.5000000), wk = 0.0027933 k( 136) = ( 0.1590581 0.1590581 0.5000000), wk = 0.0027933 k( 137) = ( 0.1502216 0.1502216 0.5000000), wk = 0.0027933 k( 138) = ( 0.1413850 0.1413850 0.5000000), wk = 0.0027933 k( 139) = ( 0.1325484 0.1325484 0.5000000), wk = 0.0027933 k( 140) = ( 0.1237119 0.1237119 0.5000000), wk = 0.0027933 k( 141) = ( 0.1148753 0.1148753 0.5000000), wk = 0.0027933 k( 142) = ( 0.1060388 0.1060388 0.5000000), wk = 0.0027933 k( 143) = ( 0.0972022 0.0972022 0.5000000), wk = 0.0027933 k( 144) = ( 0.0883656 0.0883656 0.5000000), wk = 0.0027933 k( 145) = ( 0.0795291 0.0795291 0.5000000), wk = 0.0027933 k( 146) = ( 0.0706925 0.0706925 0.5000000), wk = 0.0027933 k( 147) = ( 0.0618559 0.0618559 0.5000000), wk = 0.0027933 k( 148) = ( 0.0530194 0.0530194 0.5000000), wk = 0.0027933 k( 149) = ( 0.0441828 0.0441828 0.5000000), wk = 0.0027933 k( 150) = ( 0.0353463 0.0353463 0.5000000), wk = 0.0027933 k( 151) = ( 0.0265097 0.0265097 0.5000000), wk = 0.0027933 k( 152) = ( 0.0176731 0.0176731 0.5000000), wk = 0.0027933 k( 153) = ( 0.0088366 0.0088366 0.5000000), wk = 0.0027933 k( 154) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027933 k( 155) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027933 k( 156) = ( 0.0000000 0.0000000 0.4838710), wk = 0.0027933 k( 157) = ( 0.0000000 0.0000000 0.4677419), wk = 0.0027933 k( 158) = ( 0.0000000 0.0000000 0.4516129), wk = 0.0027933 k( 159) = ( 0.0000000 0.0000000 0.4354839), wk = 0.0027933 k( 160) = ( 0.0000000 0.0000000 0.4193548), wk = 0.0027933 k( 161) = ( 0.0000000 0.0000000 0.4032258), wk = 0.0027933 k( 162) = ( 0.0000000 0.0000000 0.3870968), wk = 0.0027933 k( 163) = ( 0.0000000 0.0000000 0.3709677), wk = 0.0027933 k( 164) = ( 0.0000000 0.0000000 0.3548387), wk = 0.0027933 k( 165) = ( 0.0000000 0.0000000 0.3387097), wk = 0.0027933 k( 166) = ( 0.0000000 0.0000000 0.3225807), wk = 0.0027933 k( 167) = ( 0.0000000 0.0000000 0.3064516), wk = 0.0027933 k( 168) = ( 0.0000000 0.0000000 0.2903226), wk = 0.0027933 k( 169) = ( 0.0000000 0.0000000 0.2741936), wk = 0.0027933 k( 170) = ( 0.0000000 0.0000000 0.2580645), wk = 0.0027933 k( 171) = ( 0.0000000 0.0000000 0.2419355), wk = 0.0027933 k( 172) = ( 0.0000000 0.0000000 0.2258065), wk = 0.0027933 k( 173) = ( 0.0000000 0.0000000 0.2096774), wk = 0.0027933 k( 174) = ( 0.0000000 0.0000000 0.1935484), wk = 0.0027933 k( 175) = ( 0.0000000 0.0000000 0.1774194), wk = 0.0027933 k( 176) = ( 0.0000000 0.0000000 0.1612903), wk = 0.0027933 k( 177) = ( 0.0000000 0.0000000 0.1451613), wk = 0.0027933 k( 178) = ( 0.0000000 0.0000000 0.1290323), wk = 0.0027933 k( 179) = ( 0.0000000 0.0000000 0.1129032), wk = 0.0027933 k( 180) = ( 0.0000000 0.0000000 0.0967742), wk = 0.0027933 k( 181) = ( 0.0000000 0.0000000 0.0806452), wk = 0.0027933 k( 182) = ( 0.0000000 0.0000000 0.0645161), wk = 0.0027933 k( 183) = ( 0.0000000 0.0000000 0.0483871), wk = 0.0027933 k( 184) = ( 0.0000000 0.0000000 0.0322581), wk = 0.0027933 k( 185) = ( 0.0000000 0.0000000 0.0161290), wk = 0.0027933 k( 186) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 187) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 188) = ( -0.0147059 0.0147059 -0.0000000), wk = 0.0027933 k( 189) = ( -0.0294118 0.0294118 -0.0000000), wk = 0.0027933 k( 190) = ( -0.0441177 0.0441177 -0.0000000), wk = 0.0027933 k( 191) = ( -0.0588235 0.0588235 -0.0000000), wk = 0.0027933 k( 192) = ( -0.0735294 0.0735294 -0.0000000), wk = 0.0027933 k( 193) = ( -0.0882353 0.0882353 -0.0000000), wk = 0.0027933 k( 194) = ( -0.1029412 0.1029412 -0.0000000), wk = 0.0027933 k( 195) = ( -0.1176471 0.1176471 -0.0000000), wk = 0.0027933 k( 196) = ( -0.1323529 0.1323529 -0.0000000), wk = 0.0027933 k( 197) = ( -0.1470588 0.1470588 -0.0000000), wk = 0.0027933 k( 198) = ( -0.1617647 0.1617647 -0.0000000), wk = 0.0027933 k( 199) = ( -0.1764706 0.1764706 0.0000000), wk = 0.0027933 k( 200) = ( -0.1911765 0.1911765 -0.0000000), wk = 0.0027933 k( 201) = ( -0.2058823 0.2058823 -0.0000000), wk = 0.0027933 k( 202) = ( -0.2205882 0.2205882 -0.0000000), wk = 0.0027933 k( 203) = ( -0.2352941 0.2352941 -0.0000000), wk = 0.0027933 k( 204) = ( -0.2500000 0.2500000 -0.0000000), wk = 0.0027933 k( 205) = ( -0.2647059 0.2647059 -0.0000000), wk = 0.0027933 k( 206) = ( -0.2794118 0.2794118 -0.0000000), wk = 0.0027933 k( 207) = ( -0.2941177 0.2941177 -0.0000000), wk = 0.0027933 k( 208) = ( -0.3088235 0.3088235 -0.0000000), wk = 0.0027933 k( 209) = ( -0.3235294 0.3235294 -0.0000000), wk = 0.0027933 k( 210) = ( -0.3382353 0.3382353 -0.0000000), wk = 0.0027933 k( 211) = ( -0.3529412 0.3529412 0.0000000), wk = 0.0027933 k( 212) = ( -0.3676471 0.3676471 -0.0000000), wk = 0.0027933 k( 213) = ( -0.3823529 0.3823529 -0.0000000), wk = 0.0027933 k( 214) = ( -0.3970588 0.3970588 -0.0000000), wk = 0.0027933 k( 215) = ( -0.4117647 0.4117647 -0.0000000), wk = 0.0027933 k( 216) = ( -0.4264706 0.4264706 -0.0000000), wk = 0.0027933 k( 217) = ( -0.4411765 0.4411765 -0.0000000), wk = 0.0027933 k( 218) = ( -0.4558823 0.4558823 -0.0000000), wk = 0.0027933 k( 219) = ( -0.4705882 0.4705882 -0.0000000), wk = 0.0027933 k( 220) = ( -0.4852941 0.4852941 -0.0000000), wk = 0.0027933 k( 221) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0027933 k( 222) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0027933 k( 223) = ( -0.4913681 0.5086319 -0.0000000), wk = 0.0027933 k( 224) = ( -0.4827362 0.5172638 0.0000000), wk = 0.0027933 k( 225) = ( -0.4741043 0.5258957 -0.0000000), wk = 0.0027933 k( 226) = ( -0.4654724 0.5345276 -0.0000000), wk = 0.0027933 k( 227) = ( -0.4568405 0.5431595 -0.0000000), wk = 0.0027933 k( 228) = ( -0.4482086 0.5517914 -0.0000000), wk = 0.0027933 k( 229) = ( -0.4395768 0.5604233 -0.0000000), wk = 0.0027933 k( 230) = ( -0.4309449 0.5690551 -0.0000000), wk = 0.0027933 k( 231) = ( -0.4223130 0.5776870 -0.0000000), wk = 0.0027933 k( 232) = ( -0.4136811 0.5863189 -0.0000000), wk = 0.0027933 k( 233) = ( -0.4050492 0.5949508 -0.0000000), wk = 0.0027933 k( 234) = ( -0.3964173 0.6035827 -0.0000000), wk = 0.0027933 k( 235) = ( -0.3877854 0.6122146 -0.0000000), wk = 0.0027933 k( 236) = ( -0.3791535 0.6208465 -0.0000000), wk = 0.0027933 k( 237) = ( -0.3705216 0.6294784 -0.0000000), wk = 0.0027933 k( 238) = ( -0.3618897 0.6381103 -0.0000000), wk = 0.0027933 k( 239) = ( -0.3532578 0.6467422 -0.0000000), wk = 0.0027933 k( 240) = ( -0.3446259 0.6553741 -0.0000000), wk = 0.0027933 k( 241) = ( -0.3446259 0.6553741 -0.0000000), wk = 0.0027933 k( 242) = ( -0.3446259 0.6553741 0.0161290), wk = 0.0027933 k( 243) = ( -0.3446259 0.6553741 0.0322581), wk = 0.0027933 k( 244) = ( -0.3446259 0.6553741 0.0483871), wk = 0.0027933 k( 245) = ( -0.3446259 0.6553741 0.0645161), wk = 0.0027933 k( 246) = ( -0.3446259 0.6553741 0.0806452), wk = 0.0027933 k( 247) = ( -0.3446259 0.6553741 0.0967742), wk = 0.0027933 k( 248) = ( -0.3446259 0.6553741 0.1129032), wk = 0.0027933 k( 249) = ( -0.3446259 0.6553741 0.1290323), wk = 0.0027933 k( 250) = ( -0.3446259 0.6553741 0.1451613), wk = 0.0027933 k( 251) = ( -0.3446259 0.6553741 0.1612903), wk = 0.0027933 k( 252) = ( -0.3446259 0.6553741 0.1774194), wk = 0.0027933 k( 253) = ( -0.3446259 0.6553741 0.1935484), wk = 0.0027933 k( 254) = ( -0.3446259 0.6553741 0.2096774), wk = 0.0027933 k( 255) = ( -0.3446259 0.6553741 0.2258065), wk = 0.0027933 k( 256) = ( -0.3446259 0.6553741 0.2419355), wk = 0.0027933 k( 257) = ( -0.3446259 0.6553741 0.2580645), wk = 0.0027933 k( 258) = ( -0.3446259 0.6553741 0.2741936), wk = 0.0027933 k( 259) = ( -0.3446259 0.6553741 0.2903226), wk = 0.0027933 k( 260) = ( -0.3446259 0.6553741 0.3064516), wk = 0.0027933 k( 261) = ( -0.3446259 0.6553741 0.3225807), wk = 0.0027933 k( 262) = ( -0.3446259 0.6553741 0.3387097), wk = 0.0027933 k( 263) = ( -0.3446259 0.6553741 0.3548387), wk = 0.0027933 k( 264) = ( -0.3446259 0.6553741 0.3709677), wk = 0.0027933 k( 265) = ( -0.3446259 0.6553741 0.3870968), wk = 0.0027933 k( 266) = ( -0.3446259 0.6553741 0.4032258), wk = 0.0027933 k( 267) = ( -0.3446259 0.6553741 0.4193548), wk = 0.0027933 k( 268) = ( -0.3446259 0.6553741 0.4354839), wk = 0.0027933 k( 269) = ( -0.3446259 0.6553741 0.4516129), wk = 0.0027933 k( 270) = ( -0.3446259 0.6553741 0.4677419), wk = 0.0027933 k( 271) = ( -0.3446259 0.6553741 0.4838710), wk = 0.0027933 k( 272) = ( -0.3446259 0.6553741 0.5000000), wk = 0.0027933 k( 273) = ( -0.3446259 0.6553741 0.5000000), wk = 0.0027933 k( 274) = ( -0.3532578 0.6467422 0.5000000), wk = 0.0027933 k( 275) = ( -0.3618897 0.6381103 0.5000000), wk = 0.0027933 k( 276) = ( -0.3705216 0.6294784 0.5000000), wk = 0.0027933 k( 277) = ( -0.3791535 0.6208465 0.5000000), wk = 0.0027933 k( 278) = ( -0.3877854 0.6122146 0.5000000), wk = 0.0027933 k( 279) = ( -0.3964173 0.6035827 0.5000000), wk = 0.0027933 k( 280) = ( -0.4050492 0.5949508 0.5000000), wk = 0.0027933 k( 281) = ( -0.4136811 0.5863189 0.5000000), wk = 0.0027933 k( 282) = ( -0.4223130 0.5776870 0.5000000), wk = 0.0027933 k( 283) = ( -0.4309449 0.5690551 0.5000000), wk = 0.0027933 k( 284) = ( -0.4395768 0.5604233 0.5000000), wk = 0.0027933 k( 285) = ( -0.4482086 0.5517914 0.5000000), wk = 0.0027933 k( 286) = ( -0.4568405 0.5431595 0.5000000), wk = 0.0027933 k( 287) = ( -0.4654724 0.5345276 0.5000000), wk = 0.0027933 k( 288) = ( -0.4741043 0.5258957 0.5000000), wk = 0.0027933 k( 289) = ( -0.4827362 0.5172638 0.5000000), wk = 0.0027933 k( 290) = ( -0.4913681 0.5086319 0.5000000), wk = 0.0027933 k( 291) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0027933 k( 292) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0027933 k( 293) = ( -0.5000000 0.5000000 0.4838710), wk = 0.0027933 k( 294) = ( -0.5000000 0.5000000 0.4677419), wk = 0.0027933 k( 295) = ( -0.5000000 0.5000000 0.4516129), wk = 0.0027933 k( 296) = ( -0.5000000 0.5000000 0.4354839), wk = 0.0027933 k( 297) = ( -0.5000000 0.5000000 0.4193548), wk = 0.0027933 k( 298) = ( -0.5000000 0.5000000 0.4032258), wk = 0.0027933 k( 299) = ( -0.5000000 0.5000000 0.3870968), wk = 0.0027933 k( 300) = ( -0.5000000 0.5000000 0.3709677), wk = 0.0027933 k( 301) = ( -0.5000000 0.5000000 0.3548387), wk = 0.0027933 k( 302) = ( -0.5000000 0.5000000 0.3387097), wk = 0.0027933 k( 303) = ( -0.5000000 0.5000000 0.3225807), wk = 0.0027933 k( 304) = ( -0.5000000 0.5000000 0.3064516), wk = 0.0027933 k( 305) = ( -0.5000000 0.5000000 0.2903226), wk = 0.0027933 k( 306) = ( -0.5000000 0.5000000 0.2741936), wk = 0.0027933 k( 307) = ( -0.5000000 0.5000000 0.2580645), wk = 0.0027933 k( 308) = ( -0.5000000 0.5000000 0.2419355), wk = 0.0027933 k( 309) = ( -0.5000000 0.5000000 0.2258065), wk = 0.0027933 k( 310) = ( -0.5000000 0.5000000 0.2096774), wk = 0.0027933 k( 311) = ( -0.5000000 0.5000000 0.1935484), wk = 0.0027933 k( 312) = ( -0.5000000 0.5000000 0.1774194), wk = 0.0027933 k( 313) = ( -0.5000000 0.5000000 0.1612903), wk = 0.0027933 k( 314) = ( -0.5000000 0.5000000 0.1451613), wk = 0.0027933 k( 315) = ( -0.5000000 0.5000000 0.1290323), wk = 0.0027933 k( 316) = ( -0.5000000 0.5000000 0.1129032), wk = 0.0027933 k( 317) = ( -0.5000000 0.5000000 0.0967742), wk = 0.0027933 k( 318) = ( -0.5000000 0.5000000 0.0806452), wk = 0.0027933 k( 319) = ( -0.5000000 0.5000000 0.0645161), wk = 0.0027933 k( 320) = ( -0.5000000 0.5000000 0.0483871), wk = 0.0027933 k( 321) = ( -0.5000000 0.5000000 0.0322581), wk = 0.0027933 k( 322) = ( -0.5000000 0.5000000 0.0161290), wk = 0.0027933 k( 323) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0027933 k( 324) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027933 k( 325) = ( -0.0147059 0.0147059 0.5000000), wk = 0.0027933 k( 326) = ( -0.0294118 0.0294118 0.5000000), wk = 0.0027933 k( 327) = ( -0.0441177 0.0441177 0.5000000), wk = 0.0027933 k( 328) = ( -0.0588235 0.0588235 0.5000000), wk = 0.0027933 k( 329) = ( -0.0735294 0.0735294 0.5000000), wk = 0.0027933 k( 330) = ( -0.0882353 0.0882353 0.5000000), wk = 0.0027933 k( 331) = ( -0.1029412 0.1029412 0.5000000), wk = 0.0027933 k( 332) = ( -0.1176471 0.1176471 0.5000000), wk = 0.0027933 k( 333) = ( -0.1323529 0.1323529 0.5000000), wk = 0.0027933 k( 334) = ( -0.1470588 0.1470588 0.5000000), wk = 0.0027933 k( 335) = ( -0.1617647 0.1617647 0.5000000), wk = 0.0027933 k( 336) = ( -0.1764706 0.1764706 0.5000000), wk = 0.0027933 k( 337) = ( -0.1911765 0.1911765 0.5000000), wk = 0.0027933 k( 338) = ( -0.2058823 0.2058823 0.5000000), wk = 0.0027933 k( 339) = ( -0.2205882 0.2205882 0.5000000), wk = 0.0027933 k( 340) = ( -0.2352941 0.2352941 0.5000000), wk = 0.0027933 k( 341) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0027933 k( 342) = ( -0.2647059 0.2647059 0.5000000), wk = 0.0027933 k( 343) = ( -0.2794118 0.2794118 0.5000000), wk = 0.0027933 k( 344) = ( -0.2941177 0.2941177 0.5000000), wk = 0.0027933 k( 345) = ( -0.3088235 0.3088235 0.5000000), wk = 0.0027933 k( 346) = ( -0.3235294 0.3235294 0.5000000), wk = 0.0027933 k( 347) = ( -0.3382353 0.3382353 0.5000000), wk = 0.0027933 k( 348) = ( -0.3529412 0.3529412 0.5000000), wk = 0.0027933 k( 349) = ( -0.3676471 0.3676471 0.5000000), wk = 0.0027933 k( 350) = ( -0.3823529 0.3823529 0.5000000), wk = 0.0027933 k( 351) = ( -0.3970588 0.3970588 0.5000000), wk = 0.0027933 k( 352) = ( -0.4117647 0.4117647 0.5000000), wk = 0.0027933 k( 353) = ( -0.4264706 0.4264706 0.5000000), wk = 0.0027933 k( 354) = ( -0.4411765 0.4411765 0.5000000), wk = 0.0027933 k( 355) = ( -0.4558823 0.4558823 0.5000000), wk = 0.0027933 k( 356) = ( -0.4705882 0.4705882 0.5000000), wk = 0.0027933 k( 357) = ( -0.4852941 0.4852941 0.5000000), wk = 0.0027933 k( 358) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0027933 Dense grid: 88727 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 39201 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 214, 58) NL pseudopotentials 0.23 Mb ( 107, 140) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1848) G-vector shells 0.01 Mb ( 932) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.76 Mb ( 214, 232) Each subspace H/S matrix 0.82 Mb ( 232, 232) Each matrix 0.25 Mb ( 140, 2, 58) The potential is recalculated from file : ./Ge2N2O.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 39.6 secs Computing kpt #: 2 total cpu time spent up to now is 41.6 secs Computing kpt #: 3 total cpu time spent up to now is 43.6 secs Computing kpt #: 4 total cpu time spent up to now is 45.7 secs Computing kpt #: 5 total cpu time spent up to now is 47.7 secs Computing kpt #: 6 total cpu time spent up to now is 49.7 secs Computing kpt #: 7 total cpu time spent up to now is 51.8 secs Computing kpt #: 8 total cpu time spent up to now is 54.0 secs Computing kpt #: 9 total cpu time spent up to now is 56.2 secs Computing kpt #: 10 total cpu time spent up to now is 58.3 secs Computing kpt #: 11 total cpu time spent up to now is 60.4 secs Computing kpt #: 12 total cpu time spent up to now is 62.4 secs Computing kpt #: 13 total cpu time spent up to now is 64.4 secs Computing kpt #: 14 total cpu time spent up to now is 66.5 secs Computing kpt #: 15 total cpu time spent up to now is 69.3 secs Computing kpt #: 16 total cpu time spent up to now is 72.4 secs Computing kpt #: 17 total cpu time spent up to now is 75.0 secs Computing kpt #: 18 total cpu time spent up to now is 77.0 secs Computing kpt #: 19 total cpu time spent up to now is 79.1 secs Computing kpt #: 20 total cpu time spent up to now is 81.4 secs Computing kpt #: 21 total cpu time spent up to now is 83.9 secs Computing kpt #: 22 total cpu time spent up to now is 86.1 secs Computing kpt #: 23 total cpu time spent up to now is 88.7 secs Computing kpt #: 24 total cpu time spent up to now is 90.9 secs Computing kpt #: 25 total cpu time spent up to now is 93.0 secs Computing kpt #: 26 total cpu time spent up to now is 95.2 secs Computing kpt #: 27 total cpu time spent up to now is 97.4 secs Computing kpt #: 28 total cpu time spent up to now is 99.6 secs Computing kpt #: 29 total cpu time spent up to now is 101.6 secs Computing kpt #: 30 total cpu time spent up to now is 103.4 secs Computing kpt #: 31 total cpu time spent up to now is 105.4 secs Computing kpt #: 32 total cpu time spent up to now is 107.3 secs Computing kpt #: 33 total cpu time spent up to now is 109.3 secs Computing kpt #: 34 total cpu time spent up to now is 111.3 secs Computing kpt #: 35 total cpu time spent up to now is 113.3 secs Computing kpt #: 36 total cpu time spent up to now is 115.3 secs Computing kpt #: 37 total cpu time spent up to now is 117.3 secs Computing kpt #: 38 total cpu time spent up to now is 119.3 secs Computing kpt #: 39 total cpu time spent up to now is 121.3 secs Computing kpt #: 40 total cpu time spent up to now is 123.3 secs Computing kpt #: 41 total cpu time spent up to now is 125.5 secs Computing kpt #: 42 total cpu time spent up to now is 127.5 secs Computing kpt #: 43 total cpu time spent up to now is 129.6 secs Computing kpt #: 44 total cpu time spent up to now is 132.1 secs Computing kpt #: 45 total cpu time spent up to now is 134.3 secs Computing kpt #: 46 total cpu time spent up to now is 136.3 secs Computing kpt #: 47 total cpu time spent up to now is 139.1 secs Computing kpt #: 48 total cpu time spent up to now is 141.2 secs Computing kpt #: 49 total cpu time spent up to now is 143.5 secs Computing kpt #: 50 total cpu time spent up to now is 145.7 secs Computing kpt #: 51 total cpu time spent up to now is 148.1 secs Computing kpt #: 52 total cpu time spent up to now is 150.9 secs Computing kpt #: 53 total cpu time spent up to now is 153.1 secs Computing kpt #: 54 total cpu time spent up to now is 155.3 secs Computing kpt #: 55 total cpu time spent up to now is 157.4 secs Computing kpt #: 56 total cpu time spent up to now is 159.8 secs Computing kpt #: 57 total cpu time spent up to now is 162.2 secs Computing kpt #: 58 total cpu time spent up to now is 164.6 secs Computing kpt #: 59 total cpu time spent up to now is 166.8 secs Computing kpt #: 60 total cpu time spent up to now is 169.2 secs Computing kpt #: 61 total cpu time spent up to now is 171.8 secs Computing kpt #: 62 total cpu time spent up to now is 174.7 secs Computing kpt #: 63 total cpu time spent up to now is 177.1 secs Computing kpt #: 64 total cpu time spent up to now is 180.0 secs Computing kpt #: 65 total cpu time spent up to now is 182.2 secs Computing kpt #: 66 total cpu time spent up to now is 184.7 secs Computing kpt #: 67 total cpu time spent up to now is 187.0 secs Computing kpt #: 68 total cpu time spent up to now is 189.2 secs Computing kpt #: 69 total cpu time spent up to now is 191.6 secs Computing kpt #: 70 total cpu time spent up to now is 193.7 secs Computing kpt #: 71 total cpu time spent up to now is 195.9 secs Computing kpt #: 72 total cpu time spent up to now is 198.1 secs Computing kpt #: 73 total cpu time spent up to now is 200.2 secs Computing kpt #: 74 total cpu time spent up to now is 202.5 secs Computing kpt #: 75 total cpu time spent up to now is 204.8 secs Computing kpt #: 76 total cpu time spent up to now is 207.3 secs Computing kpt #: 77 total cpu time spent up to now is 209.5 secs Computing kpt #: 78 total cpu time spent up to now is 212.3 secs Computing kpt #: 79 total cpu time spent up to now is 215.1 secs Computing kpt #: 80 total cpu time spent up to now is 218.3 secs Computing kpt #: 81 total cpu time spent up to now is 222.1 secs Computing kpt #: 82 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 227.0 secs Computing kpt #: 83 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 231.9 secs Computing kpt #: 84 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 236.6 secs Computing kpt #: 85 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 241.2 secs Computing kpt #: 86 total cpu time spent up to now is 244.1 secs Computing kpt #: 87 total cpu time spent up to now is 247.5 secs Computing kpt #: 88 total cpu time spent up to now is 250.4 secs Computing kpt #: 89 total cpu time spent up to now is 252.7 secs Computing kpt #: 90 total cpu time spent up to now is 256.0 secs Computing kpt #: 91 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 260.7 secs Computing kpt #: 92 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 265.4 secs Computing kpt #: 93 total cpu time spent up to now is 269.1 secs Computing kpt #: 94 total cpu time spent up to now is 271.9 secs Computing kpt #: 95 total cpu time spent up to now is 275.7 secs Computing kpt #: 96 total cpu time spent up to now is 278.9 secs Computing kpt #: 97 total cpu time spent up to now is 281.9 secs Computing kpt #: 98 total cpu time spent up to now is 285.9 secs Computing kpt #: 99 total cpu time spent up to now is 289.0 secs Computing kpt #: 100 total cpu time spent up to now is 291.6 secs Computing kpt #: 101 total cpu time spent up to now is 294.8 secs Computing kpt #: 102 total cpu time spent up to now is 297.6 secs Computing kpt #: 103 total cpu time spent up to now is 300.4 secs Computing kpt #: 104 total cpu time spent up to now is 303.6 secs Computing kpt #: 105 total cpu time spent up to now is 306.5 secs Computing kpt #: 106 total cpu time spent up to now is 309.4 secs Computing kpt #: 107 total cpu time spent up to now is 312.7 secs Computing kpt #: 108 total cpu time spent up to now is 315.6 secs Computing kpt #: 109 total cpu time spent up to now is 318.8 secs Computing kpt #: 110 total cpu time spent up to now is 321.6 secs Computing kpt #: 111 total cpu time spent up to now is 324.8 secs Computing kpt #: 112 total cpu time spent up to now is 328.8 secs Computing kpt #: 113 total cpu time spent up to now is 332.0 secs Computing kpt #: 114 total cpu time spent up to now is 334.8 secs Computing kpt #: 115 total cpu time spent up to now is 338.3 secs Computing kpt #: 116 total cpu time spent up to now is 341.5 secs Computing kpt #: 117 total cpu time spent up to now is 344.6 secs Computing kpt #: 118 total cpu time spent up to now is 347.9 secs Computing kpt #: 119 total cpu time spent up to now is 351.1 secs Computing kpt #: 120 total cpu time spent up to now is 353.8 secs Computing kpt #: 121 total cpu time spent up to now is 357.3 secs Computing kpt #: 122 total cpu time spent up to now is 360.9 secs Computing kpt #: 123 total cpu time spent up to now is 364.1 secs Computing kpt #: 124 total cpu time spent up to now is 367.6 secs Computing kpt #: 125 total cpu time spent up to now is 372.1 secs Computing kpt #: 126 total cpu time spent up to now is 375.9 secs Computing kpt #: 127 total cpu time spent up to now is 379.0 secs Computing kpt #: 128 total cpu time spent up to now is 382.2 secs Computing kpt #: 129 total cpu time spent up to now is 385.0 secs Computing kpt #: 130 total cpu time spent up to now is 387.9 secs Computing kpt #: 131 total cpu time spent up to now is 391.1 secs Computing kpt #: 132 total cpu time spent up to now is 394.4 secs Computing kpt #: 133 total cpu time spent up to now is 397.4 secs Computing kpt #: 134 total cpu time spent up to now is 400.3 secs Computing kpt #: 135 total cpu time spent up to now is 404.5 secs Computing kpt #: 136 total cpu time spent up to now is 407.6 secs Computing kpt #: 137 total cpu time spent up to now is 409.9 secs Computing kpt #: 138 total cpu time spent up to now is 412.8 secs Computing kpt #: 139 total cpu time spent up to now is 416.5 secs Computing kpt #: 140 total cpu time spent up to now is 419.3 secs Computing kpt #: 141 total cpu time spent up to now is 421.5 secs Computing kpt #: 142 total cpu time spent up to now is 424.1 secs Computing kpt #: 143 total cpu time spent up to now is 426.4 secs Computing kpt #: 144 total cpu time spent up to now is 428.7 secs Computing kpt #: 145 total cpu time spent up to now is 431.0 secs Computing kpt #: 146 total cpu time spent up to now is 433.2 secs Computing kpt #: 147 total cpu time spent up to now is 442.0 secs Computing kpt #: 148 total cpu time spent up to now is 451.6 secs Computing kpt #: 149 total cpu time spent up to now is 454.2 secs Computing kpt #: 150 total cpu time spent up to now is 457.1 secs Computing kpt #: 151 total cpu time spent up to now is 460.0 secs Computing kpt #: 152 total cpu time spent up to now is 462.5 secs Computing kpt #: 153 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 467.3 secs Computing kpt #: 154 total cpu time spent up to now is 469.4 secs Computing kpt #: 155 total cpu time spent up to now is 471.1 secs Computing kpt #: 156 total cpu time spent up to now is 473.2 secs Computing kpt #: 157 total cpu time spent up to now is 475.3 secs Computing kpt #: 158 total cpu time spent up to now is 477.1 secs Computing kpt #: 159 total cpu time spent up to now is 479.1 secs Computing kpt #: 160 total cpu time spent up to now is 481.0 secs Computing kpt #: 161 total cpu time spent up to now is 482.7 secs Computing kpt #: 162 total cpu time spent up to now is 485.2 secs Computing kpt #: 163 total cpu time spent up to now is 487.0 secs Computing kpt #: 164 total cpu time spent up to now is 488.7 secs Computing kpt #: 165 total cpu time spent up to now is 490.8 secs Computing kpt #: 166 total cpu time spent up to now is 492.7 secs Computing kpt #: 167 total cpu time spent up to now is 494.6 secs Computing kpt #: 168 total cpu time spent up to now is 496.6 secs Computing kpt #: 169 total cpu time spent up to now is 498.5 secs Computing kpt #: 170 total cpu time spent up to now is 500.3 secs Computing kpt #: 171 total cpu time spent up to now is 502.1 secs Computing kpt #: 172 total cpu time spent up to now is 504.1 secs Computing kpt #: 173 total cpu time spent up to now is 506.2 secs Computing kpt #: 174 total cpu time spent up to now is 508.0 secs Computing kpt #: 175 total cpu time spent up to now is 509.7 secs Computing kpt #: 176 total cpu time spent up to now is 511.5 secs Computing kpt #: 177 total cpu time spent up to now is 513.4 secs Computing kpt #: 178 total cpu time spent up to now is 515.5 secs Computing kpt #: 179 total cpu time spent up to now is 517.9 secs Computing kpt #: 180 total cpu time spent up to now is 519.7 secs Computing kpt #: 181 total cpu time spent up to now is 521.5 secs Computing kpt #: 182 total cpu time spent up to now is 523.7 secs Computing kpt #: 183 total cpu time spent up to now is 525.7 secs Computing kpt #: 184 total cpu time spent up to now is 527.7 secs Computing kpt #: 185 total cpu time spent up to now is 529.8 secs Computing kpt #: 186 total cpu time spent up to now is 532.2 secs Computing kpt #: 187 total cpu time spent up to now is 534.2 secs Computing kpt #: 188 total cpu time spent up to now is 536.2 secs Computing kpt #: 189 total cpu time spent up to now is 538.4 secs Computing kpt #: 190 total cpu time spent up to now is 540.4 secs Computing kpt #: 191 total cpu time spent up to now is 542.4 secs Computing kpt #: 192 total cpu time spent up to now is 545.0 secs Computing kpt #: 193 total cpu time spent up to now is 547.2 secs Computing kpt #: 194 total cpu time spent up to now is 549.4 secs Computing kpt #: 195 total cpu time spent up to now is 551.6 secs Computing kpt #: 196 total cpu time spent up to now is 553.9 secs Computing kpt #: 197 total cpu time spent up to now is 556.1 secs Computing kpt #: 198 total cpu time spent up to now is 558.2 secs Computing kpt #: 199 total cpu time spent up to now is 560.7 secs Computing kpt #: 200 total cpu time spent up to now is 563.7 secs Computing kpt #: 201 total cpu time spent up to now is 565.9 secs Computing kpt #: 202 total cpu time spent up to now is 568.1 secs Computing kpt #: 203 total cpu time spent up to now is 570.2 secs Computing kpt #: 204 total cpu time spent up to now is 572.4 secs Computing kpt #: 205 total cpu time spent up to now is 574.7 secs Computing kpt #: 206 total cpu time spent up to now is 576.8 secs Computing kpt #: 207 total cpu time spent up to now is 579.0 secs Computing kpt #: 208 total cpu time spent up to now is 581.1 secs Computing kpt #: 209 total cpu time spent up to now is 583.3 secs Computing kpt #: 210 total cpu time spent up to now is 585.7 secs Computing kpt #: 211 total cpu time spent up to now is 587.9 secs Computing kpt #: 212 total cpu time spent up to now is 589.9 secs Computing kpt #: 213 total cpu time spent up to now is 592.1 secs Computing kpt #: 214 total cpu time spent up to now is 595.1 secs Computing kpt #: 215 total cpu time spent up to now is 597.4 secs Computing kpt #: 216 total cpu time spent up to now is 599.7 secs Computing kpt #: 217 total cpu time spent up to now is 601.9 secs Computing kpt #: 218 total cpu time spent up to now is 603.9 secs Computing kpt #: 219 total cpu time spent up to now is 606.0 secs Computing kpt #: 220 total cpu time spent up to now is 608.3 secs Computing kpt #: 221 total cpu time spent up to now is 610.3 secs Computing kpt #: 222 total cpu time spent up to now is 612.3 secs Computing kpt #: 223 total cpu time spent up to now is 614.7 secs Computing kpt #: 224 total cpu time spent up to now is 616.8 secs Computing kpt #: 225 total cpu time spent up to now is 618.8 secs Computing kpt #: 226 total cpu time spent up to now is 620.8 secs Computing kpt #: 227 total cpu time spent up to now is 622.9 secs Computing kpt #: 228 total cpu time spent up to now is 625.1 secs Computing kpt #: 229 total cpu time spent up to now is 627.4 secs Computing kpt #: 230 total cpu time spent up to now is 629.4 secs Computing kpt #: 231 total cpu time spent up to now is 631.4 secs Computing kpt #: 232 total cpu time spent up to now is 633.5 secs Computing kpt #: 233 total cpu time spent up to now is 636.3 secs Computing kpt #: 234 total cpu time spent up to now is 638.8 secs Computing kpt #: 235 total cpu time spent up to now is 640.6 secs Computing kpt #: 236 total cpu time spent up to now is 642.4 secs Computing kpt #: 237 total cpu time spent up to now is 644.2 secs Computing kpt #: 238 total cpu time spent up to now is 646.3 secs Computing kpt #: 239 total cpu time spent up to now is 648.3 secs Computing kpt #: 240 total cpu time spent up to now is 650.2 secs Computing kpt #: 241 total cpu time spent up to now is 652.3 secs Computing kpt #: 242 total cpu time spent up to now is 654.2 secs Computing kpt #: 243 total cpu time spent up to now is 656.2 secs Computing kpt #: 244 total cpu time spent up to now is 658.2 secs Computing kpt #: 245 total cpu time spent up to now is 660.3 secs Computing kpt #: 246 total cpu time spent up to now is 662.2 secs Computing kpt #: 247 total cpu time spent up to now is 664.0 secs Computing kpt #: 248 total cpu time spent up to now is 665.8 secs Computing kpt #: 249 total cpu time spent up to now is 668.2 secs Computing kpt #: 250 total cpu time spent up to now is 670.9 secs Computing kpt #: 251 total cpu time spent up to now is 673.9 secs Computing kpt #: 252 total cpu time spent up to now is 676.0 secs Computing kpt #: 253 total cpu time spent up to now is 678.2 secs Computing kpt #: 254 total cpu time spent up to now is 680.3 secs Computing kpt #: 255 total cpu time spent up to now is 682.4 secs Computing kpt #: 256 total cpu time spent up to now is 684.6 secs Computing kpt #: 257 total cpu time spent up to now is 687.2 secs Computing kpt #: 258 total cpu time spent up to now is 689.5 secs Computing kpt #: 259 total cpu time spent up to now is 692.1 secs Computing kpt #: 260 total cpu time spent up to now is 694.7 secs Computing kpt #: 261 total cpu time spent up to now is 697.3 secs Computing kpt #: 262 total cpu time spent up to now is 699.9 secs Computing kpt #: 263 total cpu time spent up to now is 702.4 secs Computing kpt #: 264 total cpu time spent up to now is 705.1 secs Computing kpt #: 265 total cpu time spent up to now is 707.7 secs Computing kpt #: 266 total cpu time spent up to now is 710.3 secs Computing kpt #: 267 total cpu time spent up to now is 713.2 secs Computing kpt #: 268 total cpu time spent up to now is 716.1 secs Computing kpt #: 269 total cpu time spent up to now is 718.8 secs Computing kpt #: 270 total cpu time spent up to now is 721.5 secs Computing kpt #: 271 total cpu time spent up to now is 724.3 secs Computing kpt #: 272 total cpu time spent up to now is 727.1 secs Computing kpt #: 273 total cpu time spent up to now is 730.8 secs Computing kpt #: 274 total cpu time spent up to now is 734.1 secs Computing kpt #: 275 total cpu time spent up to now is 737.0 secs Computing kpt #: 276 total cpu time spent up to now is 740.3 secs Computing kpt #: 277 total cpu time spent up to now is 744.0 secs Computing kpt #: 278 total cpu time spent up to now is 747.3 secs Computing kpt #: 279 total cpu time spent up to now is 751.6 secs Computing kpt #: 280 total cpu time spent up to now is 755.6 secs Computing kpt #: 281 total cpu time spent up to now is 759.0 secs Computing kpt #: 282 total cpu time spent up to now is 763.4 secs Computing kpt #: 283 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 768.1 secs Computing kpt #: 284 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 773.1 secs Computing kpt #: 285 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 777.7 secs Computing kpt #: 286 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 782.4 secs Computing kpt #: 287 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 787.1 secs Computing kpt #: 288 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 792.0 secs Computing kpt #: 289 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 796.6 secs Computing kpt #: 290 total cpu time spent up to now is 799.9 secs Computing kpt #: 291 total cpu time spent up to now is 801.7 secs Computing kpt #: 292 total cpu time spent up to now is 803.7 secs Computing kpt #: 293 total cpu time spent up to now is 806.7 secs Computing kpt #: 294 total cpu time spent up to now is 808.9 secs Computing kpt #: 295 total cpu time spent up to now is 810.9 secs Computing kpt #: 296 total cpu time spent up to now is 813.2 secs Computing kpt #: 297 total cpu time spent up to now is 816.6 secs Computing kpt #: 298 total cpu time spent up to now is 818.7 secs Computing kpt #: 299 total cpu time spent up to now is 820.7 secs Computing kpt #: 300 total cpu time spent up to now is 823.2 secs Computing kpt #: 301 total cpu time spent up to now is 825.3 secs Computing kpt #: 302 total cpu time spent up to now is 828.1 secs Computing kpt #: 303 total cpu time spent up to now is 830.2 secs Computing kpt #: 304 total cpu time spent up to now is 832.3 secs Computing kpt #: 305 total cpu time spent up to now is 834.5 secs Computing kpt #: 306 total cpu time spent up to now is 836.8 secs Computing kpt #: 307 total cpu time spent up to now is 839.3 secs Computing kpt #: 308 total cpu time spent up to now is 841.6 secs Computing kpt #: 309 total cpu time spent up to now is 843.9 secs Computing kpt #: 310 total cpu time spent up to now is 846.7 secs Computing kpt #: 311 total cpu time spent up to now is 849.4 secs Computing kpt #: 312 total cpu time spent up to now is 851.8 secs Computing kpt #: 313 total cpu time spent up to now is 854.3 secs Computing kpt #: 314 total cpu time spent up to now is 856.9 secs Computing kpt #: 315 total cpu time spent up to now is 859.3 secs Computing kpt #: 316 total cpu time spent up to now is 861.6 secs Computing kpt #: 317 total cpu time spent up to now is 863.9 secs Computing kpt #: 318 total cpu time spent up to now is 866.0 secs Computing kpt #: 319 total cpu time spent up to now is 867.9 secs Computing kpt #: 320 total cpu time spent up to now is 870.1 secs Computing kpt #: 321 total cpu time spent up to now is 872.1 secs Computing kpt #: 322 total cpu time spent up to now is 874.0 secs Computing kpt #: 323 total cpu time spent up to now is 876.0 secs Computing kpt #: 324 total cpu time spent up to now is 877.8 secs Computing kpt #: 325 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 882.8 secs Computing kpt #: 326 total cpu time spent up to now is 885.3 secs Computing kpt #: 327 total cpu time spent up to now is 887.7 secs Computing kpt #: 328 total cpu time spent up to now is 890.2 secs Computing kpt #: 329 total cpu time spent up to now is 892.9 secs Computing kpt #: 330 total cpu time spent up to now is 896.2 secs Computing kpt #: 331 total cpu time spent up to now is 899.5 secs Computing kpt #: 332 total cpu time spent up to now is 903.7 secs Computing kpt #: 333 total cpu time spent up to now is 908.2 secs Computing kpt #: 334 total cpu time spent up to now is 911.9 secs Computing kpt #: 335 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 916.8 secs Computing kpt #: 336 total cpu time spent up to now is 921.0 secs Computing kpt #: 337 total cpu time spent up to now is 924.5 secs Computing kpt #: 338 total cpu time spent up to now is 927.8 secs Computing kpt #: 339 total cpu time spent up to now is 932.1 secs Computing kpt #: 340 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 936.6 secs Computing kpt #: 341 total cpu time spent up to now is 939.8 secs Computing kpt #: 342 total cpu time spent up to now is 943.2 secs Computing kpt #: 343 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 947.8 secs Computing kpt #: 344 total cpu time spent up to now is 952.3 secs Computing kpt #: 345 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 957.1 secs Computing kpt #: 346 total cpu time spent up to now is 960.4 secs Computing kpt #: 347 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 964.9 secs Computing kpt #: 348 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 969.9 secs Computing kpt #: 349 total cpu time spent up to now is 974.3 secs Computing kpt #: 350 total cpu time spent up to now is 977.8 secs Computing kpt #: 351 total cpu time spent up to now is 980.8 secs Computing kpt #: 352 total cpu time spent up to now is 983.7 secs Computing kpt #: 353 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 988.6 secs Computing kpt #: 354 total cpu time spent up to now is 992.5 secs Computing kpt #: 355 total cpu time spent up to now is 996.0 secs Computing kpt #: 356 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1000.7 secs Computing kpt #: 357 total cpu time spent up to now is 1003.4 secs Computing kpt #: 358 total cpu time spent up to now is 1005.2 secs ethr = 2.08E-11, avg # of iterations = 44.6 total cpu time spent up to now is 1005.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4885 PWs) bands (ev): -13.0928 -13.0928 -12.3647 -12.3647 -10.9932 -10.9932 -9.7823 -9.7823 -9.3938 -9.3938 -9.1963 -9.1963 -4.3561 -4.3561 -3.3462 -3.3462 -2.9631 -2.9631 -0.7773 -0.7773 -0.6963 -0.6963 -0.5693 -0.5693 0.7950 0.7950 1.4171 1.4171 1.6156 1.6156 1.8867 1.8867 2.3118 2.3118 2.3585 2.3585 3.2563 3.2563 3.6358 3.6358 4.1546 4.1546 4.1980 4.1980 4.2673 4.2673 4.2997 4.2997 6.8927 6.8927 8.7914 8.7914 9.4329 9.4329 9.8470 9.8470 11.6980 11.6980 k = 0.0088 0.0144-0.0000 ( 4883 PWs) bands (ev): -13.0923 -13.0923 -12.3647 -12.3647 -10.9930 -10.9927 -9.7913 -9.7871 -9.3912 -9.3856 -9.1965 -9.1956 -4.3555 -4.3552 -3.3552 -3.3534 -2.9544 -2.9510 -0.7824 -0.7752 -0.7193 -0.6852 -0.5816 -0.5439 0.7969 0.7988 1.4142 1.4152 1.6121 1.6147 1.8872 1.8874 2.2936 2.3120 2.3583 2.3783 3.2572 3.2576 3.6337 3.6343 4.1393 4.1490 4.2003 4.2096 4.2648 4.2648 4.3014 4.3018 6.8968 6.8969 8.7923 8.7924 9.4341 9.4355 9.8478 9.8480 11.6953 11.6957 k = 0.0177 0.0287-0.0000 ( 4895 PWs) bands (ev): -13.0908 -13.0907 -12.3649 -12.3649 -10.9919 -10.9915 -9.8125 -9.8049 -9.3784 -9.3680 -9.1963 -9.1945 -4.3535 -4.3528 -3.3779 -3.3749 -2.9269 -2.9207 -0.7929 -0.7753 -0.7436 -0.6958 -0.5719 -0.5136 0.8043 0.8081 1.4067 1.4087 1.6040 1.6093 1.8887 1.8891 2.2727 2.2942 2.3778 2.4026 3.2600 3.2609 3.6281 3.6292 4.1148 4.1271 4.2120 4.2236 4.2585 4.2587 4.3058 4.3064 6.9090 6.9091 8.7952 8.7954 9.4390 9.4417 9.8504 9.8508 11.6877 11.6886 k = 0.0265 0.0431-0.0000 ( 4897 PWs) bands (ev): -13.0882 -13.0881 -12.3653 -12.3652 -10.9902 -10.9896 -9.8434 -9.8334 -9.3578 -9.3437 -9.1956 -9.1929 -4.3501 -4.3490 -3.4093 -3.4058 -2.8853 -2.8770 -0.8128 -0.7772 -0.7622 -0.7213 -0.5471 -0.4813 0.8172 0.8228 1.3944 1.3974 1.5915 1.5994 1.8914 1.8920 2.2526 2.2740 2.4016 2.4277 3.2648 3.2660 3.6189 3.6205 4.0857 4.0989 4.2234 4.2359 4.2500 4.2510 4.3112 4.3119 6.9291 6.9293 8.8001 8.8004 9.4474 9.4514 9.8548 9.8554 11.6755 11.6768 k = 0.0353 0.0575-0.0000 ( 4901 PWs) bands (ev): -13.0846 -13.0845 -12.3657 -12.3657 -10.9877 -10.9868 -9.8812 -9.8698 -9.3322 -9.3153 -9.1944 -9.1908 -4.3452 -4.3438 -3.4455 -3.4419 -2.8340 -2.8241 -0.8411 -0.7809 -0.7747 -0.7527 -0.5162 -0.4480 0.8352 0.8427 1.3775 1.3815 1.5745 1.5850 1.8952 1.8960 2.2345 2.2549 2.4259 2.4528 3.2711 3.2727 3.6061 3.6082 4.0532 4.0669 4.2307 4.2399 4.2443 4.2465 4.3167 4.3175 6.9567 6.9569 8.8068 8.8072 9.4592 9.4645 9.8608 9.8616 11.6588 11.6605 k = 0.0442 0.0718-0.0000 ( 4901 PWs) bands (ev): -13.0800 -13.0799 -12.3663 -12.3662 -10.9844 -10.9834 -9.9240 -9.9118 -9.3037 -9.2848 -9.1928 -9.1883 -4.3389 -4.3371 -3.4837 -3.4803 -2.7760 -2.7647 -0.8736 -0.7902 -0.7849 -0.7822 -0.4825 -0.4140 0.8581 0.8674 1.3560 1.3609 1.5531 1.5661 1.9000 1.9011 2.2186 2.2377 2.4499 2.4773 3.2787 3.2806 3.5897 3.5923 4.0183 4.0322 4.2269 4.2296 4.2462 4.2544 4.3218 4.3227 6.9913 6.9916 8.8154 8.8159 9.4742 9.4806 9.8684 9.8694 11.6381 11.6400 k = 0.0530 0.0862-0.0000 ( 4907 PWs) bands (ev): -13.0744 -13.0743 -12.3670 -12.3669 -10.9804 -10.9791 -9.9705 -9.9579 -9.2741 -9.2535 -9.1907 -9.1853 -4.3312 -4.3291 -3.5223 -3.5193 -2.7131 -2.7006 -0.9078 -0.8230 -0.7948 -0.7909 -0.4470 -0.3791 0.8856 0.8967 1.3299 1.3356 1.5274 1.5428 1.9058 1.9072 2.2052 2.2230 2.4732 2.5008 3.2869 3.2891 3.5700 3.5728 3.9816 3.9957 4.2172 4.2186 4.2518 4.2609 4.3265 4.3274 7.0322 7.0326 8.8258 8.8263 9.4919 9.4995 9.8774 9.8787 11.6137 11.6158 k = 0.0619 0.1005-0.0000 ( 4911 PWs) bands (ev): -13.0679 -13.0677 -12.3678 -12.3677 -10.9756 -10.9741 -10.0195 -10.0070 -9.2445 -9.2225 -9.1880 -9.1818 -4.3221 -4.3196 -3.5602 -3.5576 -2.6464 -2.6329 -0.9425 -0.8583 -0.8054 -0.7986 -0.4102 -0.3434 0.9172 0.9300 1.2994 1.3058 1.4977 1.5153 1.9125 1.9142 2.1943 2.2107 2.4954 2.5232 3.2948 3.2971 3.5475 3.5504 3.9439 3.9579 4.2062 4.2071 4.2572 4.2662 4.3307 4.3315 7.0789 7.0795 8.8377 8.8382 9.5122 9.5208 9.8877 9.8892 11.5860 11.5883 k = 0.0707 0.1149-0.0000 ( 4909 PWs) bands (ev): -13.0603 -13.0601 -12.3688 -12.3686 -10.9700 -10.9683 -10.0706 -10.0581 -9.2157 -9.1926 -9.1846 -9.1776 -4.3116 -4.3088 -3.5970 -3.5949 -2.5767 -2.5623 -0.9772 -0.8937 -0.8167 -0.8073 -0.3720 -0.3067 0.9524 0.9671 1.2647 1.2714 1.4644 1.4838 1.9202 1.9221 2.1857 2.2008 2.5163 2.5442 3.3011 3.3032 3.5233 3.5258 3.9058 3.9197 4.1949 4.1954 4.2622 4.2709 4.3342 4.3351 7.1307 7.1314 8.8512 8.8517 9.5345 9.5441 9.8991 9.9007 11.5555 11.5577 k = 0.0795 0.1293-0.0000 ( 4913 PWs) bands (ev): -13.0519 -13.0517 -12.3698 -12.3697 -10.9637 -10.9618 -10.1231 -10.1108 -9.1908 -9.1782 -9.1750 -9.1620 -4.2997 -4.2966 -3.6322 -3.6306 -2.5046 -2.4893 -1.0114 -0.9288 -0.8289 -0.8172 -0.3325 -0.2687 0.9908 1.0073 1.2260 1.2326 1.4277 1.4485 1.9286 1.9308 2.1794 2.1932 2.5358 2.5637 3.3036 3.3052 3.4995 3.5012 3.8680 3.8815 4.1833 4.1835 4.2671 4.2753 4.3372 4.3381 7.1870 7.1879 8.8661 8.8665 9.5585 9.5690 9.9112 9.9130 11.5224 11.5246 k = 0.0884 0.1436-0.0000 ( 4909 PWs) bands (ev): -13.0425 -13.0423 -12.3710 -12.3708 -10.9565 -10.9544 -10.1766 -10.1647 -9.1807 -9.1700 -9.1579 -9.1350 -4.2864 -4.2830 -3.6656 -3.6645 -2.4304 -2.4142 -1.0449 -0.9631 -0.8421 -0.8281 -0.2916 -0.2295 1.0315 1.0504 1.1838 1.1896 1.3880 1.4097 1.9377 1.9403 2.1749 2.1875 2.5537 2.5817 3.2991 3.2996 3.4793 3.4793 3.8311 3.8440 4.1716 4.1716 4.2722 4.2799 4.3397 4.3405 7.2470 7.2481 8.8822 8.8825 9.5837 9.5950 9.9239 9.9258 11.4873 11.4894 k = 0.0972 0.1580-0.0000 ( 4917 PWs) bands (ev): -13.0323 -13.0320 -12.3723 -12.3721 -10.9486 -10.9463 -10.2310 -10.2195 -9.1759 -9.1650 -9.1337 -9.1095 -4.2719 -4.2682 -3.6971 -3.6965 -2.3544 -2.3374 -1.0772 -0.9964 -0.8562 -0.8400 -0.2492 -0.1888 1.0719 1.0956 1.1404 1.1427 1.3457 1.3678 1.9473 1.9503 2.1720 2.1835 2.5700 2.5979 3.2833 3.2843 3.4637 3.4659 3.7956 3.8078 4.1598 4.1600 4.2777 4.2850 4.3415 4.3423 7.3101 7.3115 8.8994 8.8996 9.6099 9.6218 9.9367 9.9388 11.4505 11.4524 k = 0.1060 0.1724-0.0000 ( 4917 PWs) bands (ev): -13.0212 -13.0209 -12.3737 -12.3735 -10.9398 -10.9373 -10.2859 -10.2748 -9.1714 -9.1598 -9.1108 -9.0858 -4.2560 -4.2520 -3.7268 -3.7266 -2.2769 -2.2591 -1.1083 -1.0283 -0.8711 -0.8528 -0.2053 -0.1465 1.0757 1.0914 1.1319 1.1428 1.3013 1.3232 1.9574 1.9608 2.1703 2.1809 2.5847 2.6125 3.2553 3.2577 3.4556 3.4599 3.7621 3.7733 4.1481 4.1486 4.2840 4.2908 4.3429 4.3437 7.3758 7.3775 8.9175 8.9176 9.6365 9.6490 9.9493 9.9514 11.4124 11.4140 k = 0.1149 0.1867-0.0000 ( 4909 PWs) bands (ev): -13.0093 -13.0090 -12.3752 -12.3750 -10.9303 -10.9274 -10.3412 -10.3305 -9.1667 -9.1543 -9.0898 -9.0642 -4.2389 -4.2346 -3.7547 -3.7545 -2.1981 -2.1795 -1.1377 -1.0587 -0.8868 -0.8664 -0.1598 -0.1026 1.0272 1.0371 1.1722 1.1881 1.2577 1.2777 1.9679 1.9716 2.1696 2.1793 2.5976 2.6253 3.2180 3.2212 3.4530 3.4591 3.7312 3.7414 4.1369 4.1375 4.2911 4.2974 4.3438 4.3445 7.4436 7.4457 8.9363 8.9364 9.6635 9.6763 9.9612 9.9634 11.3735 11.3747 k = 0.1237 0.2011-0.0000 ( 4907 PWs) bands (ev): -12.9967 -12.9964 -12.3768 -12.3766 -10.9198 -10.9168 -10.3967 -10.3863 -9.1617 -9.1486 -9.0708 -9.0447 -4.2205 -4.2159 -3.7810 -3.7804 -2.1182 -2.0989 -1.1652 -1.0872 -0.9032 -0.8809 -0.1126 -0.0570 0.9715 0.9794 1.1922 1.1990 1.2487 1.2545 1.9786 1.9826 2.1695 2.1784 2.6088 2.6363 3.1743 3.1780 3.4525 3.4602 3.7038 3.7127 4.1260 4.1269 4.2990 4.3049 4.3443 4.3450 7.5129 7.5153 8.9556 8.9559 9.6903 9.7034 9.9719 9.9741 11.3341 11.3349 k = 0.1325 0.2154-0.0000 ( 4891 PWs) bands (ev): -12.9834 -12.9830 -12.3785 -12.3783 -10.9085 -10.9052 -10.4521 -10.4422 -9.1566 -9.1426 -9.0539 -9.0275 -4.2009 -4.1961 -3.8054 -3.8045 -2.0375 -2.0174 -1.1906 -1.1136 -0.9203 -0.8960 -0.0637 -0.0096 0.9123 0.9186 1.1452 1.1615 1.2832 1.3013 1.9893 1.9938 2.1699 2.1781 2.6181 2.6454 3.1265 3.1305 3.4511 3.4603 3.6810 3.6885 4.1158 4.1169 4.3076 4.3132 4.3444 4.3452 7.5833 7.5861 8.9753 8.9758 9.7171 9.7303 9.9808 9.9831 11.2948 11.2952 k = 0.1414 0.2298-0.0000 ( 4900 PWs) bands (ev): -12.9693 -12.9689 -12.3803 -12.3801 -10.8964 -10.8928 -10.5075 -10.4980 -9.1513 -9.1365 -9.0391 -9.0124 -4.1802 -4.1751 -3.8282 -3.8270 -1.9560 -1.9352 -1.2136 -1.1376 -0.9381 -0.9118 -0.0133 0.0394 0.8503 0.8551 1.0922 1.1078 1.3326 1.3529 2.0000 2.0048 2.1704 2.1779 2.6254 2.6527 3.0764 3.0805 3.4468 3.4572 3.6636 3.6697 4.1063 4.1075 4.3169 4.3221 4.3442 4.3451 7.6542 7.6576 8.9953 8.9961 9.7435 9.7567 9.9875 9.9897 11.2559 11.2561 k = 0.1502 0.2442-0.0000 ( 4904 PWs) bands (ev): -12.9547 -12.9543 -12.3822 -12.3820 -10.8833 -10.8795 -10.5626 -10.5536 -9.1459 -9.1303 -9.0264 -8.9996 -4.1583 -4.1531 -3.8493 -3.8479 -1.8740 -1.8525 -1.2339 -1.1590 -0.9564 -0.9281 0.0388 0.0900 0.7857 0.7890 1.0366 1.0505 1.3842 1.4057 2.0105 2.0157 2.1709 2.1778 2.6308 2.6580 3.0250 3.0294 3.4384 3.4496 3.6522 3.6573 4.0976 4.0990 4.3264 4.3316 4.3438 4.3450 7.7255 7.7293 9.0155 9.0165 9.7696 9.7828 9.9912 9.9933 11.2176 11.2183 k = 0.1591 0.2585-0.0000 ( 4896 PWs) bands (ev): -12.9395 -12.9390 -12.3842 -12.3840 -10.8694 -10.8653 -10.6174 -10.6088 -9.1403 -9.1239 -9.0159 -8.9889 -4.1354 -4.1299 -3.8691 -3.8674 -1.7918 -1.7694 -1.2513 -1.1776 -0.9751 -0.9449 0.0924 0.1423 0.7189 0.7206 0.9793 0.9909 1.4364 1.4588 2.0208 2.0262 2.1713 2.1776 2.6341 2.6613 2.9731 2.9779 3.4258 3.4375 3.6465 3.6509 4.0899 4.0915 4.3353 4.3412 4.3435 4.3455 7.7965 7.8009 9.0358 9.0371 9.7955 9.8085 9.9913 9.9932 11.1809 11.1821 k = 0.1679 0.2729-0.0000 ( 4902 PWs) bands (ev): -12.9238 -12.9233 -12.3862 -12.3861 -10.8545 -10.8501 -10.6718 -10.6635 -9.1347 -9.1175 -9.0073 -8.9803 -4.1114 -4.1057 -3.8875 -3.8856 -1.7095 -1.6863 -1.2654 -1.1931 -0.9943 -0.9622 0.1474 0.1962 0.6498 0.6499 0.9205 0.9295 1.4888 1.5116 2.0307 2.0364 2.1714 2.1771 2.6350 2.6624 2.9215 2.9268 3.4100 3.4218 3.6454 3.6496 4.0833 4.0850 4.3404 4.3427 4.3500 4.3513 7.8671 7.8721 9.0562 9.0577 9.8212 9.8340 9.9871 9.9890 11.1461 11.1479 k = 0.1767 0.2873-0.0000 ( 4910 PWs) bands (ev): -12.9076 -12.9071 -12.3883 -12.3882 -10.8387 -10.8340 -10.7255 -10.7177 -9.1291 -9.1112 -9.0008 -8.9738 -4.0864 -4.0806 -3.9048 -3.9027 -1.6276 -1.6034 -1.2759 -1.2051 -1.0138 -0.9798 0.2038 0.2514 0.5771 0.5788 0.8607 0.8668 1.5407 1.5639 2.0405 2.0463 2.1712 2.1763 2.6332 2.6610 2.8708 2.8769 3.3924 3.4040 3.6476 3.6518 4.0780 4.0797 4.3412 4.3422 4.3586 4.3609 7.9369 7.9425 9.0766 9.0783 9.8469 9.8596 9.9782 9.9801 11.1136 11.1159 k = 0.1856 0.3016-0.0000 ( 4898 PWs) bands (ev): -12.8910 -12.8905 -12.3905 -12.3903 -10.8220 -10.8170 -10.7786 -10.7712 -9.1236 -9.1049 -8.9962 -8.9693 -4.0605 -4.0545 -3.9211 -3.9189 -1.5467 -1.5211 -1.2820 -1.2132 -1.0335 -0.9976 0.2613 0.3077 0.5025 0.5058 0.8001 0.8031 1.5917 1.6149 2.0500 2.0558 2.1705 2.1749 2.6282 2.6566 2.8220 2.8292 3.3743 3.3854 3.6519 3.6562 4.0739 4.0757 4.3412 4.3419 4.3676 4.3701 8.0057 8.0118 9.0971 9.0989 9.8726 9.8854 9.9642 9.9663 11.0836 11.0865 k = 0.1944 0.3160-0.0000 ( 4896 PWs) bands (ev): -12.8741 -12.8736 -12.3926 -12.3925 -10.8314 -10.8241 -10.8039 -10.7988 -9.1182 -9.0987 -8.9934 -8.9667 -4.0337 -4.0276 -3.9366 -3.9342 -1.4685 -1.4404 -1.2823 -1.2165 -1.0533 -1.0156 0.3195 0.3637 0.4273 0.4313 0.7389 0.7392 1.6412 1.6642 2.0597 2.0652 2.1693 2.1730 2.6189 2.6480 2.7764 2.7848 3.3566 3.3671 3.6572 3.6618 4.0713 4.0731 4.3413 4.3418 4.3761 4.3785 8.0730 8.0798 9.1177 9.1197 9.8974 9.9116 9.9448 9.9484 11.0561 11.0595 k = 0.2032 0.3304-0.0000 ( 4898 PWs) bands (ev): -12.8570 -12.8564 -12.3949 -12.3947 -10.8829 -10.8760 -10.7852 -10.7798 -9.1129 -9.0928 -8.9923 -8.9658 -4.0061 -3.9999 -3.9514 -3.9489 -1.3976 -1.3635 -1.2720 -1.2128 -1.0732 -1.0337 0.3437 0.3488 0.3847 0.4273 0.6746 0.6783 1.6884 1.7108 2.0699 2.0749 2.1675 2.1705 2.6037 2.6329 2.7366 2.7456 3.3400 3.3499 3.6630 3.6678 4.0701 4.0718 4.3417 4.3422 4.3835 4.3858 8.1387 8.1462 9.1385 9.1406 9.9095 9.9189 9.9385 9.9395 11.0309 11.0348 k = 0.2121 0.3447-0.0000 ( 4904 PWs) bands (ev): -12.8396 -12.8390 -12.3971 -12.3970 -10.9336 -10.9271 -10.7655 -10.7597 -9.1080 -9.0871 -8.9928 -8.9666 -3.9779 -3.9716 -3.9655 -3.9629 -1.3459 -1.2979 -1.2393 -1.1946 -1.0930 -1.0518 0.2643 0.2732 0.4419 0.4857 0.6106 0.6177 1.7326 1.7538 2.0815 2.0855 2.1650 2.1671 2.5814 2.6087 2.7056 2.7134 3.3251 3.3342 3.6688 3.6739 4.0703 4.0719 4.3427 4.3431 4.3897 4.3919 8.2026 8.2108 9.1597 9.1618 9.8858 9.8887 9.9599 9.9672 11.0075 11.0118 k = 0.2209 0.3591-0.0000 ( 4900 PWs) bands (ev): -12.8222 -12.8216 -12.3993 -12.3992 -10.9834 -10.9773 -10.7447 -10.7386 -9.1033 -9.0818 -8.9949 -8.9690 -3.9796 -3.9770 -3.9485 -3.9422 -1.3187 -1.2577 -1.1792 -1.1481 -1.1124 -1.0697 0.1821 0.1926 0.5026 0.5456 0.5473 0.5580 1.7724 1.7917 2.0953 2.0978 2.1619 2.1628 2.5518 2.5755 2.6836 2.6884 3.3120 3.3204 3.6742 3.6796 4.0721 4.0735 4.3443 4.3447 4.3943 4.3964 8.2645 8.2733 9.1814 9.1835 9.8512 9.8532 9.9882 9.9962 10.9851 10.9897 k = 0.2298 0.3734-0.0000 ( 4902 PWs) bands (ev): -12.8047 -12.8040 -12.4015 -12.4014 -11.0322 -11.0264 -10.7228 -10.7164 -9.0991 -9.0769 -8.9983 -8.9728 -3.9932 -3.9904 -3.9188 -3.9124 -1.3015 -1.2367 -1.1340 -1.1036 -1.0898 -1.0769 0.0981 0.1101 0.4849 0.4987 0.5640 0.6064 1.8065 1.8230 2.1122 2.1129 2.1573 2.1582 2.5170 2.5372 2.6671 2.6691 3.3010 3.3086 3.6790 3.6848 4.0754 4.0765 4.3467 4.3471 4.3972 4.3992 8.3242 8.3337 9.2037 9.2057 9.8112 9.8129 10.0184 10.0266 10.9628 10.9675 k = 0.2386 0.3878-0.0000 ( 4898 PWs) bands (ev): -12.7872 -12.7865 -12.4037 -12.4036 -11.0799 -11.0744 -10.6999 -10.6931 -9.0953 -9.0726 -9.0029 -8.9779 -4.0066 -4.0038 -3.8884 -3.8821 -1.2853 -1.2199 -1.1517 -1.1055 -1.0276 -1.0027 0.0126 0.0259 0.4239 0.4409 0.6254 0.6672 1.8336 1.8467 2.1303 2.1319 2.1505 2.1565 2.4799 2.4974 2.6531 2.6532 3.2922 3.2990 3.6831 3.6892 4.0801 4.0808 4.3501 4.3505 4.3982 4.4001 8.3816 8.3917 9.2268 9.2287 9.7669 9.7685 10.0502 10.0584 10.9394 10.9440 k = 0.2474 0.4022-0.0000 ( 4904 PWs) bands (ev): -12.7698 -12.7691 -12.4058 -12.4057 -11.1265 -11.1213 -10.6759 -10.6688 -9.0921 -9.0688 -9.0087 -8.9842 -4.0198 -4.0170 -3.8575 -3.8512 -1.2676 -1.2022 -1.1697 -1.1226 -0.9496 -0.9249 -0.0742 -0.0598 0.3643 0.3845 0.6867 0.7278 1.8526 1.8621 2.1353 2.1404 2.1569 2.1710 2.4428 2.4584 2.6392 2.6400 3.2855 3.2915 3.6863 3.6927 4.0861 4.0864 4.3546 4.3549 4.3970 4.3988 8.4366 8.4473 9.2508 9.2525 9.7191 9.7206 10.0834 10.0915 10.9139 10.9181 k = 0.2563 0.4165-0.0000 ( 4904 PWs) bands (ev): -12.7526 -12.7519 -12.4078 -12.4078 -11.1720 -11.1670 -10.6509 -10.6435 -9.0895 -9.0657 -9.0155 -8.9916 -4.0330 -4.0301 -3.8262 -3.8199 -1.2483 -1.1860 -1.1820 -1.1392 -0.8716 -0.8470 -0.1621 -0.1467 0.3065 0.3295 0.7474 0.7879 1.8637 1.8698 2.1270 2.1290 2.1854 2.2007 2.4073 2.4217 2.6263 2.6273 3.2808 3.2861 3.6887 3.6954 4.0932 4.0934 4.3603 4.3605 4.3936 4.3954 8.4892 8.5005 9.2757 9.2772 9.6683 9.6698 10.1181 10.1261 10.8852 10.8887 k = 0.2651 0.4309-0.0000 ( 4888 PWs) bands (ev): -12.7357 -12.7349 -12.4097 -12.4097 -11.2162 -11.2115 -10.6248 -10.6170 -9.0877 -9.0634 -9.0232 -8.9999 -4.0462 -4.0433 -3.7943 -3.7881 -1.2313 -1.1961 -1.1594 -1.1545 -0.7943 -0.7697 -0.2508 -0.2347 0.2503 0.2762 0.8072 0.8471 1.8674 1.8707 2.1136 2.1139 2.2181 2.2358 2.3747 2.3882 2.6141 2.6149 3.2782 3.2827 3.6900 3.6970 4.1011 4.1019 4.3672 4.3673 4.3880 4.3896 8.5394 8.5512 9.3015 9.3028 9.6154 9.6168 10.1541 10.1620 10.8528 10.8551 k = 0.2739 0.4453-0.0000 ( 4894 PWs) bands (ev): -12.7191 -12.7183 -12.4115 -12.4115 -11.2591 -11.2547 -10.5976 -10.5895 -9.0867 -9.0620 -9.0317 -9.0089 -4.0594 -4.0564 -3.7621 -3.7560 -1.2322 -1.1842 -1.1707 -1.1321 -0.7180 -0.6934 -0.3401 -0.3233 0.1960 0.2246 0.8656 0.9050 1.8651 1.8663 2.0950 2.0959 2.2536 2.2736 2.3460 2.3587 2.6028 2.6029 3.2773 3.2811 3.6905 3.6978 4.1100 4.1113 4.3751 4.3752 4.3803 4.3818 8.5872 8.5995 9.3282 9.3292 9.5608 9.5621 10.1914 10.1993 10.8166 10.8176 k = 0.2828 0.4596-0.0000 ( 4898 PWs) bands (ev): -12.7029 -12.7022 -12.4131 -12.4130 -11.3007 -11.2965 -10.5694 -10.5609 -9.0866 -9.0615 -9.0407 -9.0187 -4.0726 -4.0696 -3.7296 -3.7236 -1.2446 -1.1854 -1.1567 -1.1024 -0.6429 -0.6183 -0.4296 -0.4122 0.1436 0.1746 0.9221 0.9610 1.8578 1.8579 2.0720 2.0739 2.2896 2.3125 2.3224 2.3335 2.5916 2.5926 3.2781 3.2812 3.6899 3.6975 4.1197 4.1217 4.3690 4.3706 4.3855 4.3856 8.6327 8.6454 9.3557 9.3564 9.5051 9.5063 10.2300 10.2378 10.7766 10.7771 k = 0.2916 0.4740-0.0000 ( 4894 PWs) bands (ev): -12.6873 -12.6865 -12.4145 -12.4144 -11.3409 -11.3370 -10.5402 -10.5313 -9.0875 -9.0620 -9.0503 -9.0290 -4.0859 -4.0828 -3.6967 -3.6909 -1.2584 -1.1994 -1.1236 -1.0695 -0.5697 -0.5447 -0.5184 -0.5011 0.0929 0.1263 0.9762 1.0144 1.8463 1.8473 2.0452 2.0478 2.2968 2.3118 2.3322 2.3523 2.5815 2.5836 3.2803 3.2828 3.6884 3.6963 4.1302 4.1328 4.3562 4.3577 4.3965 4.3966 8.6760 8.6890 9.3835 9.3841 9.4490 9.4501 10.2698 10.2775 10.7332 10.7352 k = 0.3004 0.4883-0.0000 ( 4892 PWs) bands (ev): -12.6722 -12.6714 -12.4157 -12.4156 -11.3797 -11.3761 -10.5100 -10.5007 -9.0894 -9.0636 -9.0603 -9.0398 -4.0991 -4.0961 -3.6636 -3.6579 -1.2720 -1.2127 -1.0869 -1.0334 -0.6083 -0.5893 -0.4965 -0.4727 0.0439 0.0796 1.0270 1.0645 1.8329 1.8343 2.0152 2.0184 2.2797 2.2937 2.3692 2.3915 2.5729 2.5764 3.2839 3.2858 3.6861 3.6942 4.1414 4.1446 4.3409 4.3424 4.4089 4.4089 8.7172 8.7305 9.3907 9.3928 9.4131 9.4140 10.3105 10.3181 10.6885 10.6918 k = 0.3093 0.5027-0.0000 ( 4896 PWs) bands (ev): -12.6578 -12.6570 -12.4165 -12.4164 -11.4171 -11.4137 -10.4787 -10.4691 -9.0926 -9.0705 -9.0665 -9.0509 -4.1123 -4.1092 -3.6302 -3.6247 -1.2852 -1.2258 -1.0468 -0.9944 -0.6957 -0.6763 -0.4263 -0.4025 -0.0033 0.0345 1.0736 1.1104 1.8189 1.8202 1.9830 1.9865 2.2638 2.2778 2.4067 2.4298 2.5664 2.5711 3.2886 3.2899 3.6829 3.6912 4.1533 4.1571 4.3233 4.3247 4.4225 4.4225 8.7565 8.7700 9.3357 9.3371 9.4409 9.4416 10.3522 10.3596 10.6438 10.6482 k = 0.3181 0.5171-0.0000 ( 4896 PWs) bands (ev): -12.6441 -12.6433 -12.4171 -12.4170 -11.4530 -11.4498 -10.4466 -10.4366 -9.0971 -9.0809 -9.0707 -9.0621 -4.1254 -4.1224 -3.5966 -3.5913 -1.2982 -1.2392 -1.0039 -0.9524 -0.7813 -0.7609 -0.3578 -0.3344 -0.0490 -0.0092 1.1150 1.1508 1.8056 1.8061 1.9495 1.9530 2.2489 2.2630 2.4434 2.4671 2.5621 2.5681 3.2943 3.2950 3.6789 3.6875 4.1658 4.1701 4.3035 4.3048 4.4371 4.4372 8.7940 8.8076 9.2803 9.2816 9.4692 9.4701 10.3946 10.4017 10.6001 10.6054 k = 0.3270 0.5314-0.0000 ( 4894 PWs) bands (ev): -12.6313 -12.6304 -12.4173 -12.4172 -11.4874 -11.4844 -10.4136 -10.4032 -9.1030 -9.0911 -9.0766 -9.0730 -4.1384 -4.1354 -3.5628 -3.5577 -1.3117 -1.2539 -0.9587 -0.9078 -0.8632 -0.8418 -0.2915 -0.2685 -0.0930 -0.0515 1.1497 1.1843 1.7935 1.7943 1.9157 1.9186 2.2345 2.2487 2.4790 2.5028 2.5605 2.5676 3.3008 3.3010 3.6743 3.6831 4.1789 4.1836 4.2815 4.2828 4.4526 4.4528 8.8298 8.8434 9.2260 9.2271 9.4972 9.4984 10.4374 10.4442 10.5581 10.5641 k = 0.3358 0.5458-0.0000 ( 4892 PWs) bands (ev): -12.6193 -12.6185 -12.4171 -12.4169 -11.5203 -11.5174 -10.3797 -10.3690 -9.1105 -9.1011 -9.0861 -9.0819 -4.1512 -4.1482 -3.5287 -3.5239 -1.3270 -1.2718 -0.9464 -0.9170 -0.9050 -0.8601 -0.2276 -0.2057 -0.1350 -0.0923 1.1763 1.2094 1.7834 1.7865 1.8824 1.8842 2.2201 2.2343 2.5130 2.5368 2.5617 2.5696 3.3078 3.3079 3.6691 3.6781 4.1925 4.1976 4.2576 4.2589 4.4686 4.4690 8.8639 8.8776 9.1729 9.1740 9.5247 9.5262 10.4804 10.4862 10.5188 10.5260 k = 0.3446 0.5602-0.0000 ( 4888 PWs) bands (ev): -12.6083 -12.6075 -12.4165 -12.4163 -11.5515 -11.5489 -10.3451 -10.3340 -9.1195 -9.1109 -9.0972 -9.0903 -4.1638 -4.1609 -3.4944 -3.4899 -1.3467 -1.2962 -1.0142 -0.9825 -0.8566 -0.8104 -0.1819 -0.1679 -0.1392 -0.1302 1.1934 1.2246 1.7763 1.7833 1.8506 1.8512 2.2054 2.2196 2.5453 2.5641 2.5705 2.5742 3.3151 3.3157 3.6634 3.6727 4.2067 4.2120 4.2318 4.2331 4.4850 4.4856 8.8965 8.9101 9.1215 9.1225 9.5515 9.5532 10.4813 10.4865 10.5247 10.5323 k = 0.3446 0.5602-0.0000 ( 4888 PWs) bands (ev): -12.6083 -12.6075 -12.4165 -12.4163 -11.5515 -11.5489 -10.3451 -10.3340 -9.1195 -9.1109 -9.0972 -9.0903 -4.1638 -4.1609 -3.4944 -3.4899 -1.3467 -1.2962 -1.0142 -0.9825 -0.8566 -0.8104 -0.1819 -0.1679 -0.1392 -0.1302 1.1934 1.2246 1.7763 1.7833 1.8506 1.8512 2.2054 2.2196 2.5453 2.5641 2.5705 2.5742 3.3151 3.3157 3.6634 3.6727 4.2067 4.2120 4.2318 4.2331 4.4850 4.4856 8.8965 8.9101 9.1215 9.1225 9.5515 9.5532 10.4813 10.4865 10.5247 10.5323 k = 0.3274 0.5602-0.0000 ( 4890 PWs) bands (ev): -12.6145 -12.6136 -12.4173 -12.4171 -11.5337 -11.5310 -10.3640 -10.3531 -9.1147 -9.1061 -9.0909 -9.0852 -4.1572 -4.1542 -3.5134 -3.5087 -1.3364 -1.2832 -0.9826 -0.9556 -0.8777 -0.8339 -0.1982 -0.1777 -0.1495 -0.1088 1.1854 1.2177 1.7640 1.7840 1.8645 1.8837 2.2128 2.2270 2.5263 2.5497 2.5671 2.5759 3.3116 3.3123 3.6657 3.6748 4.1996 4.2048 4.2454 4.2467 4.4755 4.4760 8.8797 8.8932 9.1447 9.1465 9.5406 9.5429 10.4950 10.5029 10.5050 10.5168 k = 0.3102 0.5602-0.0000 ( 4895 PWs) bands (ev): -12.6214 -12.6206 -12.4190 -12.4188 -11.5130 -11.5101 -10.3835 -10.3728 -9.1106 -9.1018 -9.0841 -9.0794 -4.1506 -4.1476 -3.5332 -3.5284 -1.3299 -1.2754 -0.9634 -0.9474 -0.8753 -0.8458 -0.2242 -0.2007 -0.1269 -0.0841 1.1747 1.2080 1.7439 1.7701 1.8928 1.9186 2.2189 2.2332 2.5054 2.5292 2.5746 2.5831 3.3093 3.3104 3.6659 3.6749 4.1939 4.1990 4.2571 4.2585 4.4649 4.4656 8.8636 8.8770 9.1597 9.1630 9.5371 9.5408 10.4820 10.4877 10.5225 10.5295 k = 0.2929 0.5602-0.0000 ( 4893 PWs) bands (ev): -12.6290 -12.6282 -12.4213 -12.4212 -11.4897 -11.4867 -10.4034 -10.3929 -9.1068 -9.0980 -9.0772 -9.0732 -4.1441 -4.1410 -3.5539 -3.5490 -1.3273 -1.2728 -0.9673 -0.9494 -0.8537 -0.8413 -0.2445 -0.2205 -0.0999 -0.0574 1.1618 1.1961 1.7208 1.7488 1.9253 1.9532 2.2239 2.2383 2.4843 2.5086 2.5869 2.5950 3.3080 3.3098 3.6639 3.6727 4.1900 4.1950 4.2658 4.2673 4.4542 4.4552 8.8486 8.8618 9.1663 9.1710 9.5418 9.5471 10.4662 10.4719 10.5425 10.5501 k = 0.2757 0.5602-0.0000 ( 4895 PWs) bands (ev): -12.6370 -12.6362 -12.4244 -12.4242 -11.4641 -11.4610 -10.4239 -10.4136 -9.1033 -9.0944 -9.0705 -9.0667 -4.1375 -4.1344 -3.5753 -3.5704 -1.3285 -1.2756 -0.9800 -0.9565 -0.8292 -0.8248 -0.2582 -0.2343 -0.0710 -0.0290 1.1471 1.1824 1.6957 1.7240 1.9571 1.9860 2.2278 2.2424 2.4642 2.4887 2.6029 2.6106 3.3077 3.3100 3.6598 3.6684 4.1880 4.1929 4.2703 4.2720 4.4448 4.4462 8.8350 8.8479 9.1650 9.1708 9.5544 9.5610 10.4530 10.4584 10.5630 10.5720 k = 0.2585 0.5602-0.0000 ( 4894 PWs) bands (ev): -12.6451 -12.6444 -12.4280 -12.4278 -11.4365 -11.4333 -10.4450 -10.4349 -9.0999 -9.0911 -9.0639 -9.0602 -4.1307 -4.1276 -3.5973 -3.5924 -1.3333 -1.2835 -0.9910 -0.9665 -0.8077 -0.8045 -0.2646 -0.2413 -0.0407 0.0007 1.1308 1.1671 1.6693 1.6974 1.9857 2.0151 2.2313 2.2461 2.4463 2.4707 2.6220 2.6295 3.3077 3.3106 3.6538 3.6621 4.1881 4.1929 4.2691 4.2711 4.4381 4.4399 8.8230 8.8355 9.1572 9.1638 9.5736 9.5812 10.4425 10.4476 10.5838 10.5944 k = 0.2412 0.5602-0.0000 ( 4897 PWs) bands (ev): -12.6534 -12.6526 -12.4320 -12.4318 -11.4073 -11.4039 -10.4667 -10.4569 -9.0966 -9.0878 -9.0575 -9.0539 -4.1238 -4.1207 -3.6198 -3.6149 -1.3414 -1.2956 -0.9993 -0.9766 -0.7892 -0.7859 -0.2637 -0.2414 -0.0091 0.0317 1.1132 1.1505 1.6426 1.6702 2.0084 2.0377 2.2357 2.2506 2.4316 2.4555 2.6435 2.6508 3.3077 3.3112 3.6465 3.6544 4.1902 4.1947 4.2613 4.2635 4.4351 4.4373 8.8127 8.8247 9.1447 9.1517 9.5977 9.6059 10.4347 10.4393 10.6047 10.6170 k = 0.2240 0.5602-0.0000 ( 4895 PWs) bands (ev): -12.6615 -12.6608 -12.4363 -12.4361 -11.3767 -11.3732 -10.4889 -10.4794 -9.0934 -9.0847 -9.0515 -9.0478 -4.1167 -4.1135 -3.6427 -3.6378 -1.3520 -1.3107 -1.0058 -0.9861 -0.7735 -0.7702 -0.2561 -0.2353 0.0236 0.0638 1.0945 1.1327 1.6164 1.6433 2.0223 2.0507 2.2433 2.2581 2.4208 2.4440 2.6668 2.6741 3.3070 3.3110 3.6388 3.6463 4.1939 4.1982 4.2470 4.2493 4.4360 4.4383 8.8040 8.8155 9.1290 9.1360 9.6252 9.6337 10.4295 10.4337 10.6255 10.6394 k = 0.2068 0.5602-0.0000 ( 4895 PWs) bands (ev): -12.6695 -12.6688 -12.4408 -12.4406 -11.3450 -11.3414 -10.5118 -10.5025 -9.0902 -9.0818 -9.0457 -9.0419 -4.1093 -4.1061 -3.6657 -3.6609 -1.3644 -1.3277 -1.0117 -0.9952 -0.7601 -0.7565 -0.2431 -0.2240 0.0572 0.0969 1.0745 1.1137 1.5916 1.6177 2.0252 2.0514 2.2563 2.2706 2.4140 2.4363 2.6915 2.6988 3.3047 3.3092 3.6316 3.6386 4.1987 4.2024 4.2275 4.2298 4.4399 4.4422 8.7970 8.8080 9.1113 9.1182 9.6546 9.6633 10.4268 10.4306 10.6456 10.6611 k = 0.1895 0.5602-0.0000 ( 4898 PWs) bands (ev): -12.6772 -12.6765 -12.4453 -12.4451 -11.3126 -11.3089 -10.5351 -10.5261 -9.0870 -9.0789 -9.0402 -9.0365 -4.1015 -4.0983 -3.6888 -3.6840 -1.3778 -1.3455 -1.0180 -1.0045 -0.7480 -0.7438 -0.2261 -0.2088 0.0915 0.1306 1.0534 1.0934 1.5690 1.5944 2.0165 2.0399 2.2749 2.2888 2.4108 2.4324 2.7171 2.7244 3.3000 3.3049 3.6263 3.6327 4.1979 4.1987 4.2107 4.2143 4.4457 4.4479 8.7917 8.8020 9.0925 9.0993 9.6850 9.6938 10.4265 10.4300 10.6649 10.6816 k = 0.1723 0.5602-0.0000 ( 4899 PWs) bands (ev): -12.6845 -12.6839 -12.4497 -12.4495 -11.2797 -11.2758 -10.5590 -10.5503 -9.0840 -9.0762 -9.0352 -9.0314 -4.0933 -4.0901 -3.7118 -3.7071 -1.3915 -1.3633 -1.0252 -1.0143 -0.7364 -0.7316 -0.2066 -0.1912 0.1264 0.1648 1.0312 1.0717 1.5496 1.5743 1.9979 2.0188 2.2971 2.3113 2.4106 2.4320 2.7434 2.7507 3.2920 3.2973 3.6241 3.6297 4.1720 4.1742 4.2145 4.2185 4.4524 4.4545 8.7879 8.7975 9.0734 9.0800 9.7156 9.7243 10.4286 10.4317 10.6828 10.7005 k = 0.1551 0.5602-0.0000 ( 4903 PWs) bands (ev): -12.6913 -12.6908 -12.4540 -12.4538 -11.2466 -11.2426 -10.5833 -10.5749 -9.0810 -9.0737 -9.0305 -9.0268 -4.0847 -4.0815 -3.7345 -3.7299 -1.4049 -1.3805 -1.0335 -1.0246 -0.7247 -0.7195 -0.1861 -0.1724 0.1616 0.1992 1.0078 1.0485 1.5342 1.5582 1.9717 1.9908 2.3206 2.3359 2.4129 2.4347 2.7701 2.7774 3.2801 3.2858 3.6258 3.6307 4.1415 4.1438 4.2218 4.2255 4.4594 4.4612 8.7855 8.7944 9.0546 9.0607 9.7458 9.7543 10.4327 10.4356 10.6987 10.7171 k = 0.1379 0.5602-0.0000 ( 4906 PWs) bands (ev): -12.6976 -12.6971 -12.4580 -12.4578 -11.2137 -11.2096 -10.6078 -10.5998 -9.0782 -9.0714 -9.0262 -9.0227 -4.0756 -4.0725 -3.7567 -3.7523 -1.4175 -1.3965 -1.0425 -1.0352 -0.7128 -0.7074 -0.1656 -0.1537 0.1968 0.2334 0.9835 1.0238 1.5234 1.5466 1.9404 1.9582 2.3433 2.3599 2.4179 2.4404 2.7971 2.8043 3.2641 3.2700 3.6321 3.6364 4.1088 4.1110 4.2295 4.2328 4.4661 4.4678 8.7844 8.7926 9.0363 9.0421 9.7749 9.7830 10.4388 10.4415 10.7122 10.7308 k = 0.1206 0.5602-0.0000 ( 4905 PWs) bands (ev): -12.7033 -12.7029 -12.4617 -12.4615 -11.1813 -11.1771 -10.6324 -10.6248 -9.0755 -9.0694 -9.0224 -9.0191 -4.0662 -4.0631 -3.7782 -3.7740 -1.4291 -1.4112 -1.0520 -1.0460 -0.7007 -0.6955 -0.1462 -0.1360 0.2317 0.2670 0.9585 0.9979 1.5177 1.5402 1.9057 1.9228 2.3632 2.3803 2.4268 2.4490 2.8244 2.8315 3.2442 3.2503 3.6431 3.6468 4.0746 4.0768 4.2371 4.2400 4.4724 4.4738 8.7845 8.7919 9.0191 9.0244 9.8024 9.8101 10.4466 10.4491 10.7226 10.7409 k = 0.1034 0.5602-0.0000 ( 4909 PWs) bands (ev): -12.7083 -12.7080 -12.4650 -12.4649 -11.1497 -11.1456 -10.6567 -10.6496 -9.0730 -9.0676 -9.0189 -9.0160 -4.0564 -4.0534 -3.7987 -3.7948 -1.4393 -1.4244 -1.0613 -1.0563 -0.6890 -0.6840 -0.1284 -0.1198 0.2658 0.2993 0.9335 0.9711 1.5174 1.5390 1.8691 1.8858 2.3792 2.3943 2.4407 2.4603 2.8518 2.8588 3.2208 3.2272 3.6585 3.6617 4.0394 4.0416 4.2442 4.2467 4.4779 4.4792 8.7855 8.7921 9.0031 9.0080 9.8278 9.8349 10.4558 10.4580 10.7297 10.7470 k = 0.0862 0.5602-0.0000 ( 4914 PWs) bands (ev): -12.7127 -12.7124 -12.4678 -12.4678 -11.1197 -11.1157 -10.6804 -10.6738 -9.0708 -9.0661 -9.0160 -9.0134 -4.0465 -4.0436 -3.8180 -3.8143 -1.4480 -1.4358 -1.0699 -1.0659 -0.6779 -0.6735 -0.1128 -0.1058 0.2985 0.3296 0.9091 0.9440 1.5223 1.5429 1.8319 1.8482 2.3910 2.4025 2.4581 2.4735 2.8795 2.8864 3.1948 3.2013 3.6778 3.6808 4.0036 4.0058 4.2506 4.2528 4.4827 4.4838 8.7872 8.7929 8.9888 8.9931 9.8506 9.8568 10.4658 10.4679 10.7334 10.7491 k = 0.0689 0.5602-0.0000 ( 4912 PWs) bands (ev): -12.7163 -12.7160 -12.4702 -12.4702 -11.0918 -11.0881 -10.7026 -10.6968 -9.0688 -9.0650 -9.0135 -9.0114 -4.0366 -4.0340 -3.8355 -3.8322 -1.4550 -1.4454 -1.0775 -1.0744 -0.6680 -0.6644 -0.0997 -0.0942 0.3291 0.3567 0.8866 0.9175 1.5322 1.5516 1.7953 1.8112 2.3994 2.4075 2.4755 2.4868 2.9073 2.9141 3.1671 3.1735 3.7006 3.7033 3.9676 3.9699 4.2562 4.2580 4.4867 4.4875 8.7894 8.7941 8.9765 8.9802 9.8702 9.8754 10.4762 10.4780 10.7341 10.7475 k = 0.0517 0.5602-0.0000 ( 4911 PWs) bands (ev): -12.7191 -12.7189 -12.4721 -12.4721 -11.0673 -11.0640 -10.7224 -10.7176 -9.0671 -9.0642 -9.0115 -9.0098 -4.0274 -4.0251 -3.8506 -3.8478 -1.4603 -1.4532 -1.0837 -1.0813 -0.6598 -0.6569 -0.0893 -0.0852 0.3565 0.3794 0.8675 0.8931 1.5463 1.5641 1.7608 1.7759 2.4053 2.4106 2.4907 2.4985 2.9352 2.9417 3.1385 3.1449 3.7261 3.7287 3.9320 3.9343 4.2608 4.2621 4.4898 4.4904 8.7918 8.7954 8.9666 8.9694 9.8862 9.8903 10.4860 10.4875 10.7327 10.7434 k = 0.0345 0.5602-0.0000 ( 4915 PWs) bands (ev): -12.7211 -12.7210 -12.4735 -12.4735 -11.0474 -11.0448 -10.7383 -10.7348 -9.0657 -9.0637 -9.0100 -9.0088 -4.0194 -4.0177 -3.8625 -3.8605 -1.4638 -1.4591 -1.0882 -1.0866 -0.6534 -0.6515 -0.0817 -0.0790 0.3792 0.3958 0.8536 0.8721 1.5631 1.5782 1.7306 1.7438 2.4092 2.4125 2.5024 2.5074 2.9623 2.9684 3.1107 3.1166 3.7534 3.7559 3.8976 3.8999 4.2642 4.2651 4.4920 4.4925 8.7940 8.7965 8.9592 8.9613 9.8981 9.9009 10.4943 10.4954 10.7307 10.7381 k = 0.0172 0.5602-0.0000 ( 4913 PWs) bands (ev): -12.7223 -12.7223 -12.4743 -12.4743 -11.0339 -11.0325 -10.7486 -10.7467 -9.0647 -9.0637 -9.0089 -9.0083 -4.0138 -4.0128 -3.8701 -3.8690 -1.4655 -1.4631 -1.0908 -1.0900 -0.6493 -0.6483 -0.0768 -0.0755 0.3958 0.4046 0.8466 0.8563 1.5800 1.5897 1.7093 1.7180 2.4117 2.4133 2.5102 2.5126 2.9864 2.9909 3.0873 3.0917 3.7805 3.7825 3.8667 3.8686 4.2664 4.2668 4.4934 4.4936 8.7957 8.7970 8.9549 8.9560 9.9057 9.9071 10.5000 10.5006 10.7295 10.7332 k = 0.0000 0.5602-0.0000 ( 4910 PWs) bands (ev): -12.7227 -12.7227 -12.4746 -12.4746 -11.0287 -11.0287 -10.7516 -10.7516 -9.0640 -9.0640 -9.0084 -9.0084 -4.0114 -4.0114 -3.8724 -3.8724 -1.4652 -1.4652 -1.0914 -1.0914 -0.6476 -0.6476 -0.0747 -0.0747 0.4046 0.4046 0.8475 0.8475 1.5910 1.5910 1.7043 1.7043 2.4131 2.4131 2.5136 2.5136 2.9996 2.9996 3.0782 3.0782 3.7969 3.7969 3.8508 3.8508 4.2673 4.2673 4.4940 4.4940 8.7968 8.7968 8.9538 8.9538 9.9087 9.9087 10.5022 10.5022 10.7302 10.7302 k = 0.0000 0.5602-0.0000 ( 4910 PWs) bands (ev): -12.7227 -12.7227 -12.4746 -12.4746 -11.0287 -11.0287 -10.7516 -10.7516 -9.0640 -9.0640 -9.0084 -9.0084 -4.0114 -4.0114 -3.8724 -3.8724 -1.4652 -1.4652 -1.0914 -1.0914 -0.6476 -0.6476 -0.0747 -0.0747 0.4046 0.4046 0.8475 0.8475 1.5910 1.5910 1.7043 1.7043 2.4131 2.4131 2.5136 2.5136 2.9996 2.9996 3.0782 3.0782 3.7969 3.7969 3.8508 3.8508 4.2673 4.2673 4.4940 4.4940 8.7968 8.7968 8.9538 8.9538 9.9087 9.9087 10.5022 10.5022 10.7302 10.7302 k = 0.0000 0.5602 0.0173 ( 4916 PWs) bands (ev): -12.7224 -12.7224 -12.4746 -12.4746 -11.0279 -11.0279 -10.7511 -10.7510 -9.0661 -9.0658 -9.0104 -9.0104 -4.0102 -4.0098 -3.8703 -3.8698 -1.4626 -1.4621 -1.0940 -1.0938 -0.6473 -0.6465 -0.0876 -0.0834 0.4114 0.4161 0.8482 0.8500 1.5904 1.5908 1.7046 1.7051 2.4106 2.4118 2.5133 2.5144 2.9994 3.0003 3.0788 3.0793 3.7959 3.7961 3.8524 3.8532 4.2669 4.2672 4.4934 4.4936 8.7945 8.7962 8.9508 8.9516 9.8969 9.9037 10.5098 10.5150 10.7155 10.7290 k = 0.0000 0.5602 0.0345 ( 4928 PWs) bands (ev): -12.7213 -12.7213 -12.4745 -12.4745 -11.0254 -11.0253 -10.7495 -10.7494 -9.0721 -9.0716 -9.0165 -9.0164 -4.0060 -4.0052 -3.8637 -3.8626 -1.4543 -1.4533 -1.1019 -1.1015 -0.6454 -0.6438 -0.1194 -0.1118 0.4350 0.4434 0.8522 0.8557 1.5889 1.5896 1.7061 1.7070 2.4045 2.4068 2.5136 2.5156 2.9997 3.0014 3.0809 3.0820 3.7929 3.7934 3.8580 3.8595 4.2660 4.2667 4.4920 4.4924 8.7895 8.7929 8.9427 8.9441 9.8704 9.8832 10.5364 10.5455 10.6896 10.7126 k = 0.0000 0.5602 0.0518 ( 4918 PWs) bands (ev): -12.7196 -12.7196 -12.4743 -12.4743 -11.0212 -11.0211 -10.7470 -10.7468 -9.0821 -9.0812 -9.0266 -9.0265 -3.9991 -3.9979 -3.8525 -3.8509 -1.4403 -1.4388 -1.1154 -1.1147 -0.6412 -0.6390 -0.1650 -0.1553 0.4704 0.4814 0.8593 0.8643 1.5866 1.5876 1.7086 1.7100 2.3948 2.3981 2.5143 2.5172 3.0006 3.0032 3.0846 3.0862 3.7880 3.7889 3.8672 3.8693 4.2648 4.2657 4.4898 4.4903 8.7820 8.7871 8.9295 8.9316 9.8340 9.8513 10.5776 10.5886 10.6582 10.6858 k = 0.0000 0.5602 0.0691 ( 4924 PWs) bands (ev): -12.7173 -12.7173 -12.4741 -12.4741 -11.0153 -11.0153 -10.7433 -10.7431 -9.0958 -9.0946 -9.0406 -9.0404 -3.9893 -3.9877 -3.8369 -3.8347 -1.4208 -1.4189 -1.1349 -1.1339 -0.6339 -0.6312 -0.2201 -0.2090 0.5132 0.5259 0.8691 0.8755 1.5834 1.5848 1.7120 1.7137 2.3817 2.3859 2.5153 2.5190 3.0024 3.0057 3.0899 3.0920 3.7814 3.7825 3.8797 3.8825 4.2630 4.2644 4.4866 4.4873 8.7722 8.7789 8.9116 8.9143 9.7919 9.8127 10.6150 10.6283 10.6493 10.6540 k = 0.0000 0.5602 0.0863 ( 4918 PWs) bands (ev): -12.7142 -12.7142 -12.4738 -12.4738 -11.0078 -11.0077 -10.7386 -10.7383 -9.1131 -9.1117 -9.0583 -9.0582 -3.9767 -3.9748 -3.8169 -3.8142 -1.3959 -1.3937 -1.1609 -1.1594 -0.6225 -0.6195 -0.2812 -0.2696 0.5599 0.5737 0.8813 0.8889 1.5795 1.5812 1.7160 1.7179 2.3653 2.3703 2.5166 2.5210 3.0053 3.0091 3.0968 3.0992 3.7729 3.7744 3.8950 3.8983 4.2609 4.2626 4.4826 4.4834 8.7607 8.7690 8.8894 8.8927 9.7478 9.7712 10.5825 10.6181 10.6863 10.7034 k = 0.0000 0.5602 0.1036 ( 4920 PWs) bands (ev): -12.7106 -12.7106 -12.4736 -12.4735 -10.9986 -10.9985 -10.7328 -10.7324 -9.1340 -9.1323 -9.0798 -9.0796 -3.9614 -3.9592 -3.7928 -3.7896 -1.3660 -1.3636 -1.1934 -1.1914 -0.6064 -0.6033 -0.3463 -0.3345 0.6083 0.6229 0.8954 0.9041 1.5748 1.5768 1.7203 1.7224 2.3460 2.3516 2.5177 2.5229 3.0094 3.0137 3.1051 3.1079 3.7628 3.7645 3.9125 3.9162 4.2584 4.2604 4.4777 4.4787 8.7479 8.7577 8.8634 8.8672 9.7038 9.7295 10.5465 10.5826 10.7462 10.7633 k = 0.0000 0.5602 0.1208 ( 4922 PWs) bands (ev): -12.7063 -12.7063 -12.4733 -12.4732 -10.9877 -10.9876 -10.7260 -10.7255 -9.1581 -9.1562 -9.1047 -9.1045 -3.9435 -3.9409 -3.7647 -3.7610 -1.3315 -1.3291 -1.2322 -1.2295 -0.5851 -0.5821 -0.4136 -0.4021 0.6571 0.6722 0.9109 0.9205 1.5696 1.5717 1.7247 1.7268 2.3241 2.3302 2.5185 2.5244 3.0148 3.0194 3.1149 3.1179 3.7510 3.7531 3.9316 3.9357 4.2554 4.2578 4.4719 4.4731 8.7344 8.7456 8.8344 8.8387 9.6617 9.6891 10.5106 10.5471 10.8070 10.8239 k = 0.0000 0.5602 0.1381 ( 4920 PWs) bands (ev): -12.7014 -12.7014 -12.4730 -12.4729 -10.9752 -10.9750 -10.7180 -10.7175 -9.1854 -9.1833 -9.1329 -9.1327 -3.9229 -3.9201 -3.7328 -3.7286 -1.2943 -1.2938 -1.2760 -1.2699 -0.5585 -0.5566 -0.4811 -0.4710 0.7054 0.7209 0.9276 0.9377 1.5637 1.5661 1.7286 1.7307 2.2999 2.3064 2.5186 2.5252 3.0216 3.0265 3.1261 3.1292 3.7377 3.7401 3.9517 3.9560 4.2522 4.2550 4.4653 4.4667 8.7207 8.7333 8.8032 8.8079 9.6223 9.6513 10.4755 10.5121 10.8669 10.8835 k = 0.0000 0.5602 0.1554 ( 4914 PWs) bands (ev): -12.6960 -12.6960 -12.4727 -12.4727 -10.9610 -10.9608 -10.7089 -10.7083 -9.2155 -9.2132 -9.1642 -9.1639 -3.8999 -3.8969 -3.6973 -3.6927 -1.3274 -1.3260 -1.2505 -1.2462 -0.5565 -0.5408 -0.5258 -0.5177 0.7526 0.7683 0.9449 0.9554 1.5573 1.5600 1.7316 1.7336 2.2739 2.2808 2.5175 2.5249 3.0298 3.0347 3.1387 3.1419 3.7231 3.7258 3.9720 3.9764 4.2489 4.2519 4.4578 4.4594 8.7076 8.7215 8.7708 8.7758 9.5862 9.6166 10.4413 10.4778 10.9248 10.9408 k = 0.0000 0.5602 0.1726 ( 4908 PWs) bands (ev): -12.6901 -12.6901 -12.4725 -12.4724 -10.9451 -10.9448 -10.6987 -10.6980 -9.2483 -9.2458 -9.1984 -9.1981 -3.8745 -3.8712 -3.6586 -3.6536 -1.3820 -1.3798 -1.2070 -1.2036 -0.6193 -0.6075 -0.4893 -0.4841 0.7984 0.8142 0.9625 0.9732 1.5506 1.5535 1.7335 1.7353 2.2465 2.2537 2.5149 2.5231 3.0391 3.0441 3.1527 3.1558 3.7072 3.7103 3.9918 3.9963 4.2455 4.2489 4.4495 4.4513 8.6954 8.7107 8.7382 8.7436 9.5536 9.5854 10.4079 10.4443 10.9797 10.9952 k = 0.0000 0.5602 0.1899 ( 4908 PWs) bands (ev): -12.6836 -12.6836 -12.4724 -12.4723 -10.9275 -10.9273 -10.6873 -10.6866 -9.2835 -9.2808 -9.2352 -9.2349 -3.8468 -3.8433 -3.6168 -3.6113 -1.4406 -1.4382 -1.1644 -1.1621 -0.6800 -0.6703 -0.4474 -0.4426 0.8424 0.8583 0.9801 0.9908 1.5435 1.5467 1.7337 1.7354 2.2182 2.2256 2.5102 2.5193 3.0495 3.0545 3.1680 3.1710 3.6904 3.6938 4.0104 4.0148 4.2423 4.2461 4.4404 4.4425 8.6847 8.7014 8.7068 8.7123 9.5248 9.5577 10.3753 10.4115 11.0309 11.0458 k = 0.0000 0.5602 0.2072 ( 4904 PWs) bands (ev): -12.6768 -12.6768 -12.4723 -12.4723 -10.9083 -10.9080 -10.6748 -10.6740 -9.3208 -9.3180 -9.2744 -9.2741 -3.8167 -3.8131 -3.5721 -3.5663 -1.5025 -1.4999 -1.1280 -1.1279 -0.7301 -0.7233 -0.4008 -0.3962 0.8846 0.9004 0.9974 1.0078 1.5362 1.5397 1.7320 1.7334 2.1895 2.1970 2.5030 2.5130 3.0608 3.0656 3.1845 3.1873 3.6729 3.6766 4.0269 4.0311 4.2398 4.2438 4.4306 4.4329 8.6719 8.6814 8.6819 8.6951 9.4997 9.5337 10.3434 10.3793 11.0780 11.0922 k = 0.0000 0.5602 0.2244 ( 4894 PWs) bands (ev): -12.6695 -12.6695 -12.4724 -12.4724 -10.8874 -10.8871 -10.6611 -10.6602 -9.3600 -9.3571 -9.3159 -9.3155 -3.7845 -3.7808 -3.5249 -3.5187 -1.5671 -1.5645 -1.1111 -1.1075 -0.7593 -0.7569 -0.3499 -0.3453 0.9247 0.9402 1.0144 1.0241 1.5288 1.5326 1.7280 1.7292 2.1609 2.1682 2.4929 2.5038 3.0726 3.0773 3.2021 3.2046 3.6549 3.6589 4.0405 4.0444 4.2384 4.2425 4.4201 4.4227 8.6474 8.6552 8.6731 8.6907 9.4782 9.5132 10.3120 10.3476 11.1205 11.1341 k = 0.0000 0.5602 0.2417 ( 4890 PWs) bands (ev): -12.6619 -12.6619 -12.4727 -12.4726 -10.8649 -10.8646 -10.6462 -10.6453 -9.4008 -9.3978 -9.3592 -9.3588 -3.7502 -3.7464 -3.4754 -3.4688 -1.6338 -1.6312 -1.1221 -1.1142 -0.7600 -0.7574 -0.2950 -0.2904 0.9625 0.9774 1.0310 1.0396 1.5213 1.5255 1.7216 1.7225 2.1326 2.1397 2.4794 2.4911 3.0847 3.0893 3.2206 3.2228 3.6369 3.6412 4.0503 4.0538 4.2385 4.2427 4.4091 4.4120 8.6239 8.6320 8.6702 8.6893 9.4604 9.4962 10.2809 10.3162 11.1582 11.1713 k = 0.0000 0.5602 0.2589 ( 4886 PWs) bands (ev): -12.6539 -12.6539 -12.4731 -12.4730 -10.8407 -10.8404 -10.6300 -10.6291 -9.4431 -9.4399 -9.4043 -9.4038 -3.7139 -3.7100 -3.4238 -3.4168 -1.7021 -1.6996 -1.1604 -1.1495 -0.7312 -0.7251 -0.2365 -0.2318 0.9978 1.0109 1.0479 1.0541 1.5138 1.5185 1.7127 1.7132 2.1050 2.1119 2.4623 2.4748 3.0969 3.1014 3.2396 3.2415 3.6194 3.6239 4.0558 4.0586 4.2406 4.2447 4.3978 4.4009 8.6046 8.6131 8.6709 8.6913 9.4460 9.4826 10.2499 10.2848 11.1910 11.2037 k = 0.0000 0.5602 0.2762 ( 4890 PWs) bands (ev): -12.6457 -12.6457 -12.4737 -12.4737 -10.8150 -10.8146 -10.6127 -10.6117 -9.4865 -9.4831 -9.4508 -9.4502 -3.6756 -3.6717 -3.3703 -3.3630 -1.7715 -1.7691 -1.2163 -1.2041 -0.6803 -0.6722 -0.1748 -0.1699 1.0298 1.0380 1.0676 1.0681 1.5064 1.5116 1.7013 1.7014 2.0785 2.0849 2.4412 2.4545 3.1090 3.1134 3.2586 3.2602 3.6029 3.6076 4.0565 4.0586 4.2446 4.2485 4.3861 4.3895 8.5900 8.5991 8.6749 8.6966 9.4352 9.4724 10.2187 10.2532 11.2186 11.2311 k = 0.0000 0.5602 0.2935 ( 4890 PWs) bands (ev): -12.6373 -12.6373 -12.4746 -12.4746 -10.7877 -10.7873 -10.5941 -10.5930 -9.5307 -9.5273 -9.4985 -9.4978 -3.6354 -3.6315 -3.3153 -3.3077 -1.8416 -1.8394 -1.2818 -1.2690 -0.6163 -0.6071 -0.1102 -0.1051 1.0557 1.0560 1.0841 1.0925 1.4992 1.5048 1.6871 1.6877 2.0530 2.0589 2.4161 2.4300 3.1207 3.1250 3.2769 3.2782 3.5883 3.5931 4.0527 4.0541 4.2502 4.2539 4.3744 4.3780 8.5807 8.5904 8.6823 8.7052 9.4277 9.4655 10.1872 10.2212 11.2409 11.2535 k = 0.0000 0.5602 0.3107 ( 4890 PWs) bands (ev): -12.6287 -12.6287 -12.4758 -12.4757 -10.7588 -10.7584 -10.5743 -10.5732 -9.5757 -9.5720 -9.5472 -9.5463 -3.5934 -3.5895 -3.2590 -3.2511 -1.9119 -1.9100 -1.3522 -1.3394 -0.5446 -0.5346 -0.0433 -0.0380 1.0673 1.0715 1.1055 1.1195 1.4921 1.4983 1.6709 1.6721 2.0289 2.0342 2.3870 2.4014 3.1319 3.1361 3.2937 3.2945 3.5766 3.5814 4.0449 4.0455 4.2568 4.2603 4.3627 4.3666 8.5770 8.5874 8.6930 8.7171 9.4235 9.4618 10.1549 10.1885 11.2577 11.2707 k = 0.0000 0.5602 0.3280 ( 4894 PWs) bands (ev): -12.6200 -12.6200 -12.4772 -12.4772 -10.7285 -10.7280 -10.5533 -10.5521 -9.6211 -9.6173 -9.5966 -9.5955 -3.5496 -3.5457 -3.2016 -3.1935 -1.9821 -1.9804 -1.4253 -1.4125 -0.4679 -0.4573 0.0253 0.0310 1.0746 1.0793 1.1299 1.1458 1.4851 1.4921 1.6531 1.6552 2.0060 2.0107 2.3540 2.3688 3.1425 3.1466 3.3076 3.3079 3.5690 3.5736 4.0335 4.0336 4.2637 4.2670 4.3514 4.3555 8.5788 8.5902 8.7065 8.7320 9.4226 9.4613 10.1218 10.1549 11.2686 11.2824 k = 0.0000 0.5602 0.3453 ( 4894 PWs) bands (ev): -12.6112 -12.6112 -12.4790 -12.4790 -10.6967 -10.6962 -10.5311 -10.5299 -9.6668 -9.6627 -9.6464 -9.6451 -3.5041 -3.5003 -3.1436 -3.1352 -2.0516 -2.0502 -1.4999 -1.4872 -0.3880 -0.3769 0.0950 0.1012 1.0783 1.0823 1.1536 1.1701 1.4785 1.4862 1.6343 1.6376 1.9845 1.9886 2.3173 2.3325 3.1523 3.1564 3.3172 3.3176 3.5667 3.5709 4.0189 4.0194 4.2703 4.2736 4.3406 4.3449 8.5862 8.5986 8.7225 8.7493 9.4249 9.4638 10.0876 10.1201 11.2730 11.2884 k = 0.0000 0.5602 0.3625 ( 4894 PWs) bands (ev): -12.6025 -12.6025 -12.4811 -12.4811 -10.6635 -10.6629 -10.5078 -10.5065 -9.7127 -9.7081 -9.6965 -9.6948 -3.4569 -3.4532 -3.0854 -3.0767 -2.1200 -2.1188 -1.5751 -1.5626 -0.3060 -0.2944 0.1649 0.1716 1.0786 1.0814 1.1752 1.1920 1.4722 1.4807 1.6152 1.6198 1.9643 1.9678 2.2774 2.2928 3.1615 3.1655 3.3215 3.3227 3.5704 3.5741 4.0021 4.0030 4.2763 4.2795 4.3304 4.3349 8.5989 8.6123 8.7404 8.7685 9.4303 9.4694 10.0520 10.0840 11.2565 11.2745 k = 0.0000 0.5602 0.3798 ( 4890 PWs) bands (ev): -12.5937 -12.5937 -12.4836 -12.4836 -10.6290 -10.6284 -10.4834 -10.4821 -9.7586 -9.7534 -9.7464 -9.7440 -3.4082 -3.4046 -3.0276 -3.0188 -2.1864 -2.1856 -1.6505 -1.6382 -0.2229 -0.2108 0.2340 0.2414 1.0754 1.0769 1.1938 1.2107 1.4664 1.4757 1.5965 1.6026 1.9457 1.9485 2.2349 2.2503 3.1699 3.1739 3.3209 3.3229 3.5802 3.5833 3.9836 3.9848 4.2812 4.2846 4.3211 4.3258 8.6164 8.6310 8.7596 8.7889 9.4388 9.4779 10.0150 10.0465 11.2121 11.2633 k = 0.0000 0.5602 0.3970 ( 4884 PWs) bands (ev): -12.5851 -12.5851 -12.4865 -12.4864 -10.5933 -10.5927 -10.4581 -10.4567 -9.8048 -9.7992 -9.7950 -9.7921 -3.3581 -3.3546 -2.9711 -2.9622 -2.2498 -2.2494 -1.7258 -1.7137 -0.1394 -0.1269 0.3007 0.3091 1.0692 1.0695 1.2089 1.2258 1.4614 1.4715 1.5787 1.5863 1.9287 1.9309 2.1906 2.2059 3.1777 3.1817 3.3160 3.3188 3.5951 3.5977 3.9639 3.9653 4.2851 4.2886 4.3128 4.3177 8.6380 8.6541 8.7791 8.8097 9.4503 9.4892 9.9764 10.0075 11.1688 11.2217 k = 0.0000 0.5602 0.4143 ( 4888 PWs) bands (ev): -12.5766 -12.5766 -12.4897 -12.4897 -10.5566 -10.5559 -10.4321 -10.4306 -9.8512 -9.8468 -9.8402 -9.8385 -3.3065 -3.3032 -2.9176 -2.9088 -2.3086 -2.3085 -1.8007 -1.7889 -0.0564 -0.0433 0.3632 0.3727 1.0601 1.0609 1.2196 1.2362 1.4575 1.4684 1.5623 1.5715 1.9137 1.9152 2.1454 2.1604 3.1850 3.1891 3.3081 3.3115 3.6141 3.6161 3.9431 3.9446 4.2877 4.2914 4.3056 4.3106 8.6629 8.6806 8.7980 8.8297 9.4647 9.5033 9.9365 9.9670 11.1293 11.1825 k = 0.0000 0.5602 0.4316 ( 4896 PWs) bands (ev): -12.5682 -12.5682 -12.4933 -12.4933 -10.5191 -10.5183 -10.4056 -10.4041 -9.8975 -9.8944 -9.8831 -9.8827 -3.2538 -3.2505 -2.8699 -2.8613 -2.3604 -2.3594 -1.8750 -1.8634 0.0255 0.0391 0.4188 0.4297 1.0505 1.0520 1.2249 1.2409 1.4553 1.4668 1.5476 1.5581 1.9011 1.9019 2.1004 2.1150 3.1919 3.1961 3.2983 3.3021 3.6357 3.6374 3.9215 3.9231 4.2893 4.2931 4.2997 4.3048 8.6903 8.7097 8.8154 8.8481 9.4821 9.5202 9.8953 9.9255 11.0949 11.1482 k = 0.0000 0.5602 0.4488 ( 4896 PWs) bands (ev): -12.5601 -12.5601 -12.4974 -12.4974 -10.4811 -10.4803 -10.3794 -10.3778 -9.9427 -9.9403 -9.9247 -9.9244 -3.1999 -3.1968 -2.8326 -2.8248 -2.3999 -2.3977 -1.9484 -1.9370 0.1054 0.1195 0.4641 0.4765 1.0435 1.0453 1.2239 1.2389 1.4553 1.4671 1.5346 1.5461 1.8913 1.8914 2.0568 2.0708 3.1986 3.2029 3.2875 3.2916 3.6590 3.6605 3.8993 3.9009 4.2897 4.2939 4.2951 4.3002 8.7188 8.7402 8.8302 8.8636 9.5024 9.5398 9.8532 9.8831 11.0668 11.1201 k = 0.0000 0.5602 0.4661 ( 4902 PWs) bands (ev): -12.5523 -12.5523 -12.5019 -12.5019 -10.4430 -10.4421 -10.3543 -10.3527 -9.9852 -9.9834 -9.9642 -9.9635 -3.1452 -3.1423 -2.8128 -2.8062 -2.4202 -2.4163 -2.0206 -2.0095 0.1824 0.1971 0.4949 0.5089 1.0424 1.0444 1.2160 1.2295 1.4577 1.4696 1.5230 1.5353 1.8842 1.8853 2.0161 2.0292 3.2054 3.2097 3.2764 3.2808 3.6834 3.6847 3.8767 3.8783 4.2891 4.2920 4.2936 4.2970 8.7473 8.7707 8.8414 8.8752 9.5257 9.5622 9.8107 9.8406 11.0458 11.0989 k = 0.0000 0.5602 0.4834 ( 4906 PWs) bands (ev): -12.5447 -12.5447 -12.5068 -12.5068 -10.4058 -10.4048 -10.3321 -10.3305 -10.0231 -10.0216 -10.0006 -9.9996 -3.0900 -3.0872 -2.8159 -2.8107 -2.4157 -2.4098 -2.0913 -2.0805 0.2555 0.2707 0.5076 0.5230 1.0502 1.0525 1.2010 1.2126 1.4623 1.4742 1.5125 1.5251 1.8811 1.8835 1.9794 1.9913 3.2123 3.2168 3.2654 3.2700 3.7082 3.7094 3.8536 3.8551 4.2878 4.2903 4.2927 4.2950 8.7744 8.7999 8.8481 8.8819 9.5520 9.5875 9.7683 9.7984 11.0326 11.0854 k = 0.0000 0.5602 0.5006 ( 4904 PWs) bands (ev): -12.5375 -12.5374 -12.5121 -12.5121 -10.3708 -10.3697 -10.3159 -10.3143 -10.0530 -10.0517 -10.0325 -10.0314 -3.0348 -3.0320 -2.8405 -2.8366 -2.3877 -2.3802 -2.1600 -2.1495 0.3233 0.3390 0.5010 0.5172 1.0678 1.0707 1.1794 1.1890 1.4688 1.4807 1.5029 1.5155 1.8827 1.8866 1.9478 1.9584 3.2196 3.2242 3.2549 3.2596 3.7330 3.7342 3.8302 3.8316 4.2868 4.2890 4.2918 4.2937 8.7989 8.8264 8.8495 8.8828 9.5814 9.6157 9.7268 9.7574 11.0274 11.0798 k = 0.0000 0.5602 0.5179 ( 4910 PWs) bands (ev): -12.5305 -12.5305 -12.5179 -12.5179 -10.3405 -10.3393 -10.3104 -10.3088 -10.0704 -10.0692 -10.0575 -10.0563 -2.9803 -2.9776 -2.8800 -2.8768 -2.3429 -2.3342 -2.2258 -2.2158 0.3842 0.4004 0.4761 0.4927 1.0932 1.0973 1.1525 1.1601 1.4765 1.4884 1.4937 1.5061 1.8898 1.8953 1.9222 1.9312 3.2274 3.2321 3.2450 3.2497 3.7578 3.7590 3.8064 3.8078 4.2865 4.2878 4.2915 4.2926 8.8194 8.8452 8.8489 8.8777 9.6138 9.6469 9.6869 9.7181 11.0302 11.0581 k = 0.0000 0.5602 0.5351 ( 4908 PWs) bands (ev): -12.5240 -12.5240 -12.5240 -12.5240 -10.3189 -10.3189 -10.3175 -10.3175 -10.0716 -10.0716 -10.0704 -10.0704 -2.9280 -2.9280 -2.9251 -2.9251 -2.2876 -2.2876 -2.2781 -2.2781 0.4361 0.4361 0.4526 0.4526 1.1227 1.1227 1.1284 1.1284 1.4848 1.4848 1.4971 1.4971 1.9028 1.9028 1.9101 1.9101 3.2359 3.2359 3.2406 3.2406 3.7823 3.7823 3.7835 3.7835 4.2869 4.2869 4.2919 4.2919 8.8351 8.8351 8.8662 8.8662 9.6490 9.6490 9.6811 9.6811 11.0407 11.0407 k = 0.0000 0.5602 0.5351 ( 4908 PWs) bands (ev): -12.5240 -12.5240 -12.5240 -12.5240 -10.3189 -10.3189 -10.3175 -10.3175 -10.0716 -10.0716 -10.0704 -10.0704 -2.9280 -2.9280 -2.9251 -2.9251 -2.2876 -2.2876 -2.2781 -2.2781 0.4361 0.4361 0.4526 0.4526 1.1227 1.1227 1.1284 1.1284 1.4848 1.4848 1.4971 1.4971 1.9028 1.9028 1.9101 1.9101 3.2359 3.2359 3.2406 3.2406 3.7823 3.7823 3.7835 3.7835 4.2869 4.2869 4.2919 4.2919 8.8351 8.8351 8.8662 8.8662 9.6490 9.6490 9.6811 9.6811 11.0407 11.0407 k = 0.0172 0.5602 0.5351 ( 4910 PWs) bands (ev): -12.5238 -12.5238 -12.5237 -12.5237 -10.3205 -10.3205 -10.3190 -10.3190 -10.0704 -10.0704 -10.0692 -10.0692 -2.9273 -2.9273 -2.9242 -2.9242 -2.2880 -2.2880 -2.2786 -2.2786 0.4367 0.4367 0.4532 0.4532 1.1193 1.1193 1.1274 1.1274 1.4859 1.4859 1.4994 1.4994 1.9024 1.9024 1.9100 1.9100 3.2366 3.2366 3.2413 3.2413 3.7827 3.7827 3.7842 3.7842 4.2860 4.2860 4.2909 4.2909 8.8336 8.8336 8.8646 8.8646 9.6502 9.6502 9.6822 9.6822 11.0373 11.0373 k = 0.0345 0.5602 0.5351 ( 4910 PWs) bands (ev): -12.5232 -12.5232 -12.5230 -12.5230 -10.3251 -10.3251 -10.3235 -10.3235 -10.0670 -10.0670 -10.0657 -10.0657 -2.9252 -2.9252 -2.9218 -2.9218 -2.2895 -2.2895 -2.2799 -2.2799 0.4384 0.4384 0.4553 0.4553 1.1104 1.1104 1.1230 1.1230 1.4893 1.4893 1.5058 1.5058 1.9010 1.9010 1.9098 1.9098 3.2387 3.2387 3.2436 3.2436 3.7841 3.7841 3.7862 3.7862 4.2831 4.2831 4.2882 4.2882 8.8292 8.8292 8.8597 8.8597 9.6539 9.6539 9.6855 9.6855 11.0273 11.0273 k = 0.0517 0.5602 0.5351 ( 4892 PWs) bands (ev): -12.5220 -12.5220 -12.5218 -12.5218 -10.3325 -10.3325 -10.3308 -10.3308 -10.0616 -10.0616 -10.0602 -10.0602 -2.9219 -2.9219 -2.9179 -2.9179 -2.2918 -2.2918 -2.2821 -2.2821 0.4414 0.4414 0.4587 0.4587 1.0977 1.0977 1.1147 1.1147 1.4952 1.4952 1.5152 1.5152 1.8991 1.8991 1.9092 1.9092 3.2422 3.2422 3.2472 3.2472 3.7866 3.7866 3.7893 3.7893 4.2784 4.2784 4.2835 4.2835 8.8222 8.8222 8.8518 8.8518 9.6599 9.6599 9.6908 9.6908 11.0115 11.0115 k = 0.0689 0.5602 0.5351 ( 4892 PWs) bands (ev): -12.5205 -12.5205 -12.5202 -12.5202 -10.3423 -10.3423 -10.3404 -10.3404 -10.0544 -10.0544 -10.0530 -10.0530 -2.9174 -2.9174 -2.9127 -2.9127 -2.2948 -2.2948 -2.2849 -2.2849 0.4456 0.4456 0.4635 0.4635 1.0819 1.0819 1.1027 1.1027 1.5033 1.5033 1.5265 1.5265 1.8967 1.8967 1.9085 1.9085 3.2469 3.2469 3.2520 3.2520 3.7902 3.7902 3.7937 3.7937 4.2718 4.2718 4.2771 4.2771 8.8126 8.8126 8.8411 8.8411 9.6681 9.6681 9.6982 9.6982 10.9908 10.9908 k = 0.0862 0.5602 0.5351 ( 4886 PWs) bands (ev): -12.5185 -12.5185 -12.5182 -12.5182 -10.3541 -10.3541 -10.3521 -10.3521 -10.0458 -10.0458 -10.0443 -10.0443 -2.9121 -2.9121 -2.9066 -2.9066 -2.2982 -2.2982 -2.2881 -2.2881 0.4510 0.4510 0.4696 0.4696 1.0638 1.0638 1.0877 1.0877 1.5130 1.5130 1.5390 1.5390 1.8941 1.8941 1.9076 1.9076 3.2525 3.2525 3.2579 3.2579 3.7950 3.7950 3.7992 3.7992 4.2633 4.2633 4.2688 4.2688 8.8009 8.8009 8.8281 8.8281 9.6783 9.6783 9.7074 9.7074 10.9663 10.9663 k = 0.1034 0.5602 0.5351 ( 4888 PWs) bands (ev): -12.5162 -12.5162 -12.5158 -12.5158 -10.3676 -10.3676 -10.3655 -10.3655 -10.0362 -10.0362 -10.0346 -10.0346 -2.9061 -2.9061 -2.8998 -2.8998 -2.3019 -2.3019 -2.2914 -2.2914 0.4577 0.4577 0.4770 0.4770 1.0439 1.0439 1.0703 1.0703 1.5238 1.5238 1.5519 1.5519 1.8916 1.8916 1.9066 1.9066 3.2589 3.2589 3.2644 3.2644 3.8011 3.8011 3.8059 3.8059 4.2531 4.2531 4.2588 4.2588 8.7874 8.7874 8.8131 8.8131 9.6904 9.6904 9.7184 9.7184 10.9391 10.9391 k = 0.1206 0.5602 0.5351 ( 4884 PWs) bands (ev): -12.5135 -12.5135 -12.5130 -12.5130 -10.3825 -10.3825 -10.3802 -10.3802 -10.0256 -10.0256 -10.0241 -10.0241 -2.9001 -2.9001 -2.8930 -2.8930 -2.3053 -2.3053 -2.2944 -2.2944 0.4656 0.4656 0.4858 0.4858 1.0228 1.0228 1.0512 1.0512 1.5348 1.5348 1.5646 1.5646 1.8893 1.8893 1.9058 1.9058 3.2657 3.2657 3.2714 3.2714 3.8085 3.8085 3.8139 3.8139 4.2412 4.2412 4.2472 4.2472 8.7725 8.7725 8.7967 8.7967 9.7041 9.7041 9.7309 9.7309 10.9101 10.9101 k = 0.1379 0.5602 0.5351 ( 4878 PWs) bands (ev): -12.5105 -12.5105 -12.5100 -12.5100 -10.3984 -10.3984 -10.3960 -10.3960 -10.0145 -10.0145 -10.0129 -10.0129 -2.8944 -2.8944 -2.8865 -2.8865 -2.3080 -2.3080 -2.2967 -2.2967 0.4748 0.4748 0.4959 0.4959 1.0009 1.0009 1.0307 1.0307 1.5457 1.5457 1.5766 1.5766 1.8874 1.8874 1.9051 1.9051 3.2728 3.2728 3.2785 3.2785 3.8172 3.8172 3.8231 3.8231 4.2276 4.2276 4.2338 4.2338 8.7567 8.7567 8.7794 8.7794 9.7193 9.7193 9.7448 9.7448 10.8800 10.8800 k = 0.1551 0.5602 0.5351 ( 4884 PWs) bands (ev): -12.5071 -12.5071 -12.5066 -12.5066 -10.4151 -10.4151 -10.4127 -10.4127 -10.0028 -10.0028 -10.0012 -10.0012 -2.8897 -2.8897 -2.8809 -2.8809 -2.3096 -2.3096 -2.2978 -2.2978 0.4853 0.4853 0.5073 0.5073 0.9784 0.9784 1.0093 1.0093 1.5560 1.5560 1.5875 1.5875 1.8862 1.8862 1.9046 1.9046 3.2797 3.2797 3.2855 3.2855 3.8272 3.8272 3.8337 3.8337 4.2125 4.2125 4.2190 4.2190 8.7405 8.7405 8.7615 8.7615 9.7357 9.7357 9.7599 9.7599 10.8495 10.8495 k = 0.1723 0.5602 0.5351 ( 4880 PWs) bands (ev): -12.5036 -12.5036 -12.5030 -12.5030 -10.4324 -10.4324 -10.4299 -10.4299 -9.9908 -9.9908 -9.9892 -9.9892 -2.8865 -2.8865 -2.8770 -2.8770 -2.3094 -2.3094 -2.2971 -2.2971 0.4970 0.4970 0.5200 0.5200 0.9557 0.9557 0.9874 0.9874 1.5655 1.5655 1.5971 1.5971 1.8857 1.8857 1.9045 1.9045 3.2862 3.2862 3.2920 3.2920 3.8386 3.8386 3.8455 3.8455 4.1960 4.1960 4.2028 4.2028 8.7241 8.7241 8.7437 8.7437 9.7531 9.7531 9.7759 9.7759 10.8192 10.8192 k = 0.1895 0.5602 0.5351 ( 4880 PWs) bands (ev): -12.4999 -12.4999 -12.4992 -12.4992 -10.4501 -10.4501 -10.4475 -10.4475 -9.9786 -9.9786 -9.9769 -9.9769 -2.8855 -2.8855 -2.8752 -2.8752 -2.3069 -2.3069 -2.2942 -2.2942 0.5100 0.5100 0.5340 0.5340 0.9330 0.9330 0.9653 0.9653 1.5739 1.5739 1.6053 1.6053 1.8858 1.8858 1.9045 1.9045 3.2920 3.2920 3.2978 3.2978 3.8513 3.8513 3.8586 3.8586 4.1783 4.1783 4.1853 4.1853 8.7081 8.7081 8.7262 8.7262 9.7713 9.7713 9.7927 9.7927 10.7895 10.7895 k = 0.2068 0.5602 0.5351 ( 4882 PWs) bands (ev): -12.4960 -12.4960 -12.4953 -12.4953 -10.4680 -10.4680 -10.4654 -10.4654 -9.9661 -9.9661 -9.9645 -9.9645 -2.8871 -2.8871 -2.8764 -2.8764 -2.3016 -2.3016 -2.2885 -2.2885 0.5243 0.5243 0.5491 0.5491 0.9106 0.9106 0.9432 0.9432 1.5812 1.5812 1.6120 1.6120 1.8864 1.8864 1.9046 1.9046 3.2970 3.2970 3.3027 3.3027 3.8652 3.8652 3.8728 3.8728 4.1595 4.1595 4.1668 4.1668 8.6928 8.6928 8.7096 8.7096 9.7899 9.7899 9.8099 9.8099 10.7609 10.7609 k = 0.2240 0.5602 0.5351 ( 4884 PWs) bands (ev): -12.4921 -12.4921 -12.4914 -12.4914 -10.4859 -10.4859 -10.4833 -10.4833 -9.9534 -9.9534 -9.9518 -9.9518 -2.8919 -2.8919 -2.8808 -2.8808 -2.2931 -2.2931 -2.2797 -2.2797 0.5399 0.5399 0.5654 0.5654 0.8886 0.8886 0.9214 0.9214 1.5875 1.5875 1.6173 1.6173 1.8874 1.8874 1.9046 1.9046 3.3009 3.3009 3.3066 3.3066 3.8802 3.8802 3.8881 3.8881 4.1400 4.1400 4.1475 4.1475 8.6786 8.6786 8.6942 8.6942 9.8087 9.8087 9.8272 9.8272 10.7339 10.7339 k = 0.2412 0.5602 0.5351 ( 4876 PWs) bands (ev): -12.4881 -12.4881 -12.4874 -12.4874 -10.5038 -10.5038 -10.5012 -10.5012 -9.9406 -9.9406 -9.9390 -9.9390 -2.9001 -2.9001 -2.8888 -2.8888 -2.2813 -2.2813 -2.2676 -2.2676 0.5565 0.5565 0.5827 0.5827 0.8673 0.8673 0.9001 0.9001 1.5927 1.5927 1.6214 1.6214 1.8883 1.8883 1.9042 1.9042 3.3036 3.3036 3.3093 3.3093 3.8962 3.8962 3.9044 3.9044 4.1199 4.1199 4.1276 4.1276 8.6656 8.6656 8.6801 8.6801 9.8273 9.8273 9.8444 9.8444 10.7088 10.7088 k = 0.2585 0.5602 0.5351 ( 4880 PWs) bands (ev): -12.4843 -12.4843 -12.4836 -12.4836 -10.5213 -10.5213 -10.5188 -10.5188 -9.9277 -9.9277 -9.9261 -9.9261 -2.9120 -2.9120 -2.9006 -2.9006 -2.2661 -2.2661 -2.2522 -2.2522 0.5741 0.5741 0.6006 0.6006 0.8471 0.8471 0.8797 0.8797 1.5972 1.5972 1.6245 1.6245 1.8890 1.8890 1.9031 1.9031 3.3051 3.3051 3.3108 3.3108 3.9128 3.9128 3.9213 3.9213 4.0997 4.0997 4.1075 4.1075 8.6541 8.6541 8.6678 8.6678 9.8454 9.8454 9.8609 9.8609 10.6862 10.6862 k = 0.2757 0.5602 0.5351 ( 4886 PWs) bands (ev): -12.4805 -12.4805 -12.4798 -12.4798 -10.5385 -10.5385 -10.5360 -10.5360 -9.9146 -9.9146 -9.9131 -9.9131 -2.9274 -2.9274 -2.9162 -2.9162 -2.2476 -2.2476 -2.2335 -2.2335 0.5923 0.5923 0.6188 0.6188 0.8285 0.8285 0.8606 0.8606 1.6008 1.6008 1.6268 1.6268 1.8889 1.8889 1.9010 1.9010 3.3055 3.3055 3.3112 3.3112 3.9297 3.9297 3.9384 3.9384 4.0798 4.0798 4.0877 4.0877 8.6443 8.6443 8.6573 8.6573 9.8624 9.8624 9.8764 9.8764 10.6665 10.6665 k = 0.2929 0.5602 0.5351 ( 4884 PWs) bands (ev): -12.4770 -12.4770 -12.4763 -12.4763 -10.5552 -10.5552 -10.5527 -10.5527 -9.9015 -9.9015 -9.9000 -9.9000 -2.9463 -2.9463 -2.9352 -2.9352 -2.2260 -2.2260 -2.2119 -2.2119 0.6106 0.6106 0.6365 0.6365 0.8122 0.8122 0.8435 0.8435 1.6039 1.6039 1.6286 1.6286 1.8878 1.8878 1.8975 1.8975 3.3048 3.3048 3.3106 3.3106 3.9461 3.9461 3.9551 3.9551 4.0612 4.0612 4.0688 4.0688 8.6362 8.6362 8.6487 8.6487 9.8779 9.8779 9.8903 9.8903 10.6502 10.6502 k = 0.3102 0.5602 0.5351 ( 4886 PWs) bands (ev): -12.4738 -12.4738 -12.4731 -12.4731 -10.5712 -10.5712 -10.5687 -10.5687 -9.8884 -9.8884 -9.8869 -9.8869 -2.9683 -2.9683 -2.9575 -2.9575 -2.2019 -2.2019 -2.1878 -2.1878 0.6278 0.6278 0.6522 0.6522 0.7997 0.7997 0.8297 0.8297 1.6064 1.6064 1.6299 1.6299 1.8854 1.8854 1.8925 1.8925 3.3031 3.3031 3.3090 3.3090 3.9602 3.9602 3.9694 3.9694 4.0458 4.0458 4.0526 4.0526 8.6300 8.6300 8.6421 8.6421 9.8913 9.8913 9.9023 9.9023 10.6378 10.6378 k = 0.3274 0.5602 0.5351 ( 4892 PWs) bands (ev): -12.4709 -12.4709 -12.4702 -12.4702 -10.5864 -10.5864 -10.5839 -10.5839 -9.8751 -9.8751 -9.8736 -9.8736 -2.9932 -2.9932 -2.9828 -2.9828 -2.1755 -2.1755 -2.1614 -2.1614 0.6418 0.6418 0.6639 0.6639 0.7928 0.7928 0.8214 0.8214 1.6082 1.6082 1.6309 1.6309 1.8814 1.8814 1.8858 1.8858 3.3007 3.3007 3.3068 3.3068 3.9682 3.9682 3.9771 3.9771 4.0382 4.0382 4.0427 4.0427 8.6256 8.6256 8.6375 8.6375 9.9021 9.9021 9.9118 9.9118 10.6297 10.6297 k = 0.3446 0.5602 0.5351 ( 4888 PWs) bands (ev): -12.4684 -12.4684 -12.4678 -12.4678 -10.6006 -10.6006 -10.5983 -10.5983 -9.8618 -9.8618 -9.8603 -9.8603 -3.0207 -3.0207 -3.0107 -3.0107 -2.1474 -2.1474 -2.1332 -2.1332 0.6495 0.6495 0.6700 0.6700 0.7935 0.7935 0.8214 0.8214 1.6093 1.6093 1.6315 1.6315 1.8756 1.8756 1.8778 1.8778 3.2978 3.2978 3.3040 3.3040 3.9651 3.9651 3.9735 3.9735 4.0424 4.0424 4.0446 4.0446 8.6231 8.6231 8.6349 8.6349 9.9095 9.9095 9.9185 9.9185 10.6262 10.6262 k = 0.3446 0.5602 0.5351 ( 4888 PWs) bands (ev): -12.4684 -12.4684 -12.4678 -12.4678 -10.6006 -10.6006 -10.5983 -10.5983 -9.8618 -9.8618 -9.8603 -9.8603 -3.0207 -3.0207 -3.0107 -3.0107 -2.1474 -2.1474 -2.1332 -2.1332 0.6495 0.6495 0.6700 0.6700 0.7935 0.7935 0.8214 0.8214 1.6093 1.6093 1.6315 1.6315 1.8756 1.8756 1.8778 1.8778 3.2978 3.2978 3.3040 3.3040 3.9651 3.9651 3.9735 3.9735 4.0424 4.0424 4.0446 4.0446 8.6231 8.6231 8.6349 8.6349 9.9095 9.9095 9.9185 9.9185 10.6262 10.6262 k = 0.3358 0.5458 0.5351 ( 4892 PWs) bands (ev): -12.4727 -12.4727 -12.4720 -12.4720 -10.5743 -10.5743 -10.5718 -10.5718 -9.8869 -9.8869 -9.8854 -9.8854 -2.9665 -2.9665 -2.9557 -2.9557 -2.2024 -2.2024 -2.1883 -2.1883 0.6425 0.6425 0.6640 0.6640 0.7849 0.7849 0.8125 0.8125 1.6091 1.6091 1.6318 1.6318 1.8880 1.8880 1.8917 1.8917 3.3032 3.3032 3.3092 3.3092 3.9810 3.9810 3.9899 3.9899 4.0268 4.0268 4.0288 4.0288 8.6258 8.6258 8.6376 8.6376 9.8993 9.8993 9.9092 9.9092 10.6300 10.6300 k = 0.3270 0.5314 0.5351 ( 4892 PWs) bands (ev): -12.4773 -12.4773 -12.4765 -12.4765 -10.5467 -10.5467 -10.5442 -10.5442 -9.9123 -9.9123 -9.9108 -9.9108 -2.9111 -2.9111 -2.8996 -2.8996 -2.2592 -2.2592 -2.2452 -2.2452 0.6348 0.6348 0.6571 0.6571 0.7771 0.7771 0.8044 0.8044 1.6107 1.6107 1.6341 1.6341 1.8980 1.8980 1.9031 1.9031 3.3080 3.3080 3.3137 3.3137 3.9953 3.9953 4.0056 4.0056 4.0140 4.0140 4.0148 4.0148 8.6279 8.6279 8.6395 8.6395 9.8897 9.8897 9.9004 9.9004 10.6372 10.6372 k = 0.3181 0.5171 0.5351 ( 4892 PWs) bands (ev): -12.4820 -12.4820 -12.4813 -12.4813 -10.5180 -10.5180 -10.5154 -10.5154 -9.9378 -9.9378 -9.9363 -9.9363 -2.8547 -2.8547 -2.8424 -2.8424 -2.3177 -2.3177 -2.3040 -2.3040 0.6263 0.6263 0.6495 0.6495 0.7702 0.7702 0.7970 0.7970 1.6145 1.6145 1.6384 1.6384 1.9056 1.9056 1.9119 1.9119 3.3122 3.3122 3.3176 3.3176 3.9950 3.9950 4.0002 4.0002 4.0172 4.0172 4.0231 4.0231 8.6293 8.6293 8.6408 8.6408 9.8804 9.8804 9.8920 9.8920 10.6479 10.6479 k = 0.3093 0.5027 0.5351 ( 4896 PWs) bands (ev): -12.4870 -12.4870 -12.4862 -12.4862 -10.4882 -10.4882 -10.4855 -10.4855 -9.9634 -9.9634 -9.9619 -9.9619 -2.7975 -2.7975 -2.7845 -2.7845 -2.3777 -2.3777 -2.3643 -2.3643 0.6171 0.6171 0.6410 0.6410 0.7639 0.7639 0.7903 0.7903 1.6205 1.6205 1.6450 1.6450 1.9107 1.9107 1.9183 1.9183 3.3157 3.3157 3.3208 3.3208 3.9846 3.9846 3.9886 3.9886 4.0318 4.0318 4.0391 4.0391 8.6302 8.6302 8.6414 8.6414 9.8712 9.8712 9.8836 9.8836 10.6619 10.6619 k = 0.3004 0.4883 0.5351 ( 4894 PWs) bands (ev): -12.4922 -12.4922 -12.4914 -12.4914 -10.4574 -10.4574 -10.4546 -10.4546 -9.9889 -9.9889 -9.9874 -9.9874 -2.7399 -2.7399 -2.7261 -2.7261 -2.4390 -2.4390 -2.4260 -2.4260 0.6070 0.6070 0.6316 0.6316 0.7581 0.7581 0.7840 0.7840 1.6288 1.6288 1.6539 1.6539 1.9134 1.9134 1.9222 1.9222 3.3184 3.3184 3.3232 3.3232 3.9749 3.9749 3.9787 3.9787 4.0472 4.0472 4.0550 4.0550 8.6306 8.6306 8.6416 8.6416 9.8618 9.8618 9.8750 9.8750 10.6793 10.6793 k = 0.2916 0.4740 0.5351 ( 4896 PWs) bands (ev): -12.4976 -12.4976 -12.4968 -12.4968 -10.4256 -10.4256 -10.4227 -10.4227 -10.0143 -10.0143 -10.0128 -10.0128 -2.6819 -2.6819 -2.6673 -2.6673 -2.5014 -2.5014 -2.4889 -2.4889 0.5961 0.5961 0.6213 0.6213 0.7527 0.7527 0.7781 0.7781 1.6395 1.6395 1.6651 1.6651 1.9140 1.9140 1.9237 1.9237 3.3204 3.3204 3.3248 3.3248 3.9670 3.9670 3.9707 3.9707 4.0625 4.0625 4.0705 4.0705 8.6308 8.6308 8.6414 8.6414 9.8519 9.8519 9.8658 9.8658 10.6998 10.6998 k = 0.2828 0.4596 0.5351 ( 4908 PWs) bands (ev): -12.5032 -12.5032 -12.5024 -12.5024 -10.3929 -10.3929 -10.3899 -10.3899 -10.0395 -10.0395 -10.0380 -10.0380 -2.6243 -2.6243 -2.6083 -2.6083 -2.5644 -2.5644 -2.5528 -2.5528 0.5843 0.5843 0.6103 0.6103 0.7475 0.7475 0.7723 0.7723 1.6525 1.6525 1.6786 1.6786 1.9125 1.9125 1.9232 1.9232 3.3215 3.3215 3.3256 3.3256 3.9611 3.9611 3.9647 3.9647 4.0775 4.0775 4.0857 4.0857 8.6308 8.6308 8.6410 8.6410 9.8412 9.8412 9.8559 9.8559 10.7231 10.7231 k = 0.2739 0.4453 0.5351 ( 4912 PWs) bands (ev): -12.5090 -12.5090 -12.5082 -12.5082 -10.3593 -10.3593 -10.3563 -10.3563 -10.0643 -10.0643 -10.0629 -10.0629 -2.6306 -2.6306 -2.6178 -2.6178 -2.5643 -2.5643 -2.5493 -2.5493 0.5718 0.5718 0.5984 0.5984 0.7424 0.7424 0.7664 0.7664 1.6678 1.6678 1.6943 1.6943 1.9092 1.9092 1.9206 1.9206 3.3219 3.3219 3.3257 3.3257 3.9571 3.9571 3.9606 3.9606 4.0921 4.0921 4.1005 4.1005 8.6307 8.6307 8.6405 8.6405 9.8295 9.8295 9.8449 9.8449 10.7492 10.7492 k = 0.2651 0.4309 0.5351 ( 4904 PWs) bands (ev): -12.5150 -12.5150 -12.5141 -12.5141 -10.3250 -10.3250 -10.3218 -10.3218 -10.0888 -10.0888 -10.0873 -10.0873 -2.6951 -2.6951 -2.6833 -2.6833 -2.5069 -2.5069 -2.4906 -2.4906 0.5586 0.5586 0.5858 0.5858 0.7372 0.7372 0.7604 0.7604 1.6852 1.6852 1.7123 1.7123 1.9044 1.9044 1.9165 1.9165 3.3216 3.3216 3.3250 3.3250 3.9552 3.9552 3.9587 3.9587 4.1063 4.1063 4.1148 4.1148 8.6308 8.6308 8.6402 8.6402 9.8166 9.8166 9.8326 9.8326 10.7776 10.7776 k = 0.2563 0.4165 0.5351 ( 4908 PWs) bands (ev): -12.5211 -12.5211 -12.5202 -12.5202 -10.2900 -10.2900 -10.2868 -10.2868 -10.1127 -10.1127 -10.1113 -10.1113 -2.7606 -2.7606 -2.7494 -2.7494 -2.4493 -2.4493 -2.4322 -2.4322 0.5447 0.5447 0.5726 0.5726 0.7318 0.7318 0.7541 0.7541 1.7045 1.7045 1.7322 1.7322 1.8984 1.8984 1.9109 1.9109 3.3205 3.3205 3.3237 3.3237 3.9554 3.9554 3.9587 3.9587 4.1199 4.1199 4.1286 4.1286 8.6310 8.6310 8.6400 8.6400 9.8022 9.8022 9.8188 9.8188 10.8080 10.8080 k = 0.2474 0.4022 0.5351 ( 4908 PWs) bands (ev): -12.5273 -12.5273 -12.5264 -12.5264 -10.2543 -10.2543 -10.2511 -10.2511 -10.1361 -10.1361 -10.1348 -10.1348 -2.8265 -2.8265 -2.8159 -2.8159 -2.3923 -2.3923 -2.3745 -2.3745 0.5302 0.5302 0.5588 0.5588 0.7259 0.7259 0.7473 0.7473 1.7256 1.7256 1.7540 1.7540 1.8915 1.8915 1.9042 1.9042 3.3190 3.3190 3.3218 3.3218 3.9574 3.9574 3.9606 3.9606 4.1330 4.1330 4.1419 4.1419 8.6316 8.6316 8.6400 8.6400 9.7864 9.7864 9.8035 9.8035 10.8400 10.8400 k = 0.2386 0.3878 0.5351 ( 4904 PWs) bands (ev): -12.5337 -12.5337 -12.5328 -12.5328 -10.2183 -10.2183 -10.2149 -10.2149 -10.1589 -10.1589 -10.1577 -10.1577 -2.8926 -2.8926 -2.8825 -2.8825 -2.3358 -2.3358 -2.3174 -2.3174 0.5154 0.5154 0.5445 0.5445 0.7194 0.7194 0.7398 0.7398 1.7480 1.7480 1.7772 1.7772 1.8842 1.8842 1.8967 1.8967 3.3170 3.3170 3.3195 3.3195 3.9613 3.9613 3.9643 3.9643 4.1456 4.1456 4.1546 4.1546 8.6324 8.6324 8.6405 8.6405 9.7689 9.7689 9.7865 9.7865 10.8731 10.8731 k = 0.2298 0.3734 0.5351 ( 4904 PWs) bands (ev): -12.5402 -12.5402 -12.5393 -12.5393 -10.1852 -10.1852 -10.1816 -10.1816 -10.1776 -10.1776 -10.1766 -10.1766 -2.9588 -2.9588 -2.9492 -2.9492 -2.2802 -2.2802 -2.2611 -2.2611 0.5002 0.5002 0.5299 0.5299 0.7123 0.7123 0.7316 0.7316 1.7713 1.7713 1.8017 1.8017 1.8771 1.8771 1.8889 1.8889 3.3147 3.3147 3.3170 3.3170 3.9670 3.9670 3.9698 3.9698 4.1576 4.1576 4.1668 4.1668 8.6336 8.6336 8.6412 8.6412 9.7498 9.7498 9.7678 9.7678 10.9069 10.9069 k = 0.2209 0.3591 0.5351 ( 4892 PWs) bands (ev): -12.5467 -12.5467 -12.5458 -12.5458 -10.2032 -10.2032 -10.2017 -10.2017 -10.1442 -10.1442 -10.1411 -10.1411 -3.0247 -3.0247 -3.0156 -3.0156 -2.2255 -2.2255 -2.2059 -2.2059 0.4848 0.4848 0.5150 0.5150 0.7044 0.7044 0.7226 0.7226 1.7944 1.7944 1.8271 1.8271 1.8711 1.8711 1.8809 1.8809 3.3123 3.3123 3.3144 3.3144 3.9742 3.9742 3.9768 3.9768 4.1691 4.1691 4.1785 4.1785 8.6352 8.6352 8.6423 8.6423 9.7290 9.7290 9.7474 9.7474 10.9408 10.9408 k = 0.2121 0.3447 0.5351 ( 4888 PWs) bands (ev): -12.5533 -12.5533 -12.5524 -12.5524 -10.2239 -10.2239 -10.2225 -10.2225 -10.1071 -10.1071 -10.1039 -10.1039 -3.0903 -3.0903 -3.0818 -3.0818 -2.1719 -2.1719 -2.1518 -2.1518 0.4694 0.4694 0.5000 0.5000 0.6956 0.6956 0.7127 0.7127 1.8150 1.8150 1.8525 1.8525 1.8684 1.8684 1.8735 1.8735 3.3100 3.3100 3.3119 3.3119 3.9828 3.9828 3.9852 3.9852 4.1801 4.1801 4.1895 4.1895 8.6370 8.6370 8.6437 8.6437 9.7068 9.7068 9.7253 9.7253 10.9744 10.9744 k = 0.2032 0.3304 0.5351 ( 4880 PWs) bands (ev): -12.5599 -12.5599 -12.5590 -12.5590 -10.2439 -10.2439 -10.2426 -10.2426 -10.0699 -10.0699 -10.0666 -10.0666 -3.1554 -3.1554 -3.1474 -3.1474 -2.1195 -2.1195 -2.0989 -2.0989 0.4540 0.4540 0.4850 0.4850 0.6859 0.6859 0.7019 0.7019 1.8277 1.8277 1.8635 1.8635 1.8744 1.8744 1.8811 1.8811 3.3081 3.3081 3.3099 3.3099 3.9927 3.9927 3.9949 3.9949 4.1905 4.1905 4.2000 4.2000 8.6389 8.6389 8.6453 8.6453 9.6831 9.6831 9.7018 9.7018 11.0070 11.0070 k = 0.1944 0.3160 0.5351 ( 4878 PWs) bands (ev): -12.5665 -12.5665 -12.5656 -12.5656 -10.2632 -10.2632 -10.2620 -10.2620 -10.0326 -10.0326 -10.0293 -10.0293 -3.2198 -3.2198 -3.2123 -3.2123 -2.0684 -2.0684 -2.0474 -2.0474 0.4387 0.4387 0.4700 0.4700 0.6752 0.6752 0.6901 0.6901 1.8298 1.8298 1.8572 1.8572 1.8914 1.8914 1.9063 1.9063 3.3068 3.3068 3.3085 3.3085 4.0037 4.0037 4.0056 4.0056 4.2004 4.2004 4.2100 4.2100 8.6409 8.6409 8.6469 8.6469 9.6581 9.6581 9.6769 9.6769 11.0380 11.0380 k = 0.1856 0.3016 0.5351 ( 4878 PWs) bands (ev): -12.5731 -12.5731 -12.5722 -12.5722 -10.2816 -10.2816 -10.2805 -10.2805 -9.9954 -9.9954 -9.9922 -9.9922 -3.2833 -3.2833 -3.2763 -3.2763 -2.0187 -2.0187 -1.9974 -1.9974 0.4237 0.4237 0.4553 0.4553 0.6636 0.6636 0.6775 0.6775 1.8273 1.8273 1.8510 1.8510 1.9135 1.9135 1.9314 1.9314 3.3065 3.3065 3.3082 3.3082 4.0155 4.0155 4.0172 4.0172 4.2097 4.2097 4.2195 4.2195 8.6429 8.6429 8.6485 8.6485 9.6321 9.6321 9.6508 9.6508 11.0670 11.0670 k = 0.1767 0.2873 0.5351 ( 4882 PWs) bands (ev): -12.5796 -12.5796 -12.5787 -12.5787 -10.2993 -10.2993 -10.2982 -10.2982 -9.9584 -9.9584 -9.9553 -9.9553 -3.3457 -3.3457 -3.3392 -3.3392 -1.9704 -1.9704 -1.9490 -1.9490 0.4090 0.4090 0.4407 0.4407 0.6512 0.6512 0.6639 0.6639 1.8237 1.8237 1.8455 1.8455 1.9365 1.9365 1.9556 1.9556 3.3073 3.3073 3.3091 3.3091 4.0281 4.0281 4.0295 4.0295 4.2186 4.2186 4.2284 4.2284 8.6445 8.6445 8.6499 8.6499 9.6051 9.6051 9.6237 9.6237 11.0933 11.0933 k = 0.1679 0.2729 0.5351 ( 4874 PWs) bands (ev): -12.5860 -12.5860 -12.5852 -12.5852 -10.3160 -10.3160 -10.3150 -10.3150 -9.9219 -9.9219 -9.9188 -9.9188 -3.4069 -3.4069 -3.4008 -3.4008 -1.9238 -1.9238 -1.9022 -1.9022 0.3948 0.3948 0.4265 0.4265 0.6380 0.6380 0.6497 0.6497 1.8203 1.8203 1.8409 1.8409 1.9589 1.9589 1.9783 1.9783 3.3096 3.3096 3.3115 3.3115 4.0412 4.0412 4.0425 4.0425 4.2270 4.2270 4.2368 4.2368 8.6458 8.6458 8.6508 8.6508 9.5775 9.5775 9.5959 9.5959 11.1166 11.1166 k = 0.1591 0.2585 0.5351 ( 4874 PWs) bands (ev): -12.5924 -12.5924 -12.5915 -12.5915 -10.3320 -10.3320 -10.3310 -10.3310 -9.8858 -9.8858 -9.8828 -9.8828 -3.4666 -3.4666 -3.4610 -3.4610 -1.8788 -1.8788 -1.8572 -1.8572 0.3811 0.3811 0.4127 0.4127 0.6241 0.6241 0.6348 0.6348 1.8176 1.8176 1.8372 1.8372 1.9800 1.9800 1.9992 1.9992 3.3135 3.3135 3.3156 3.3156 4.0548 4.0548 4.0558 4.0558 4.2350 4.2350 4.2448 4.2448 8.6464 8.6464 8.6512 8.6512 9.5495 9.5495 9.5676 9.5676 11.1366 11.1366 k = 0.1502 0.2442 0.5351 ( 4882 PWs) bands (ev): -12.5985 -12.5985 -12.5977 -12.5977 -10.3470 -10.3470 -10.3461 -10.3461 -9.8504 -9.8504 -9.8475 -9.8475 -3.5247 -3.5247 -3.5195 -3.5195 -1.8355 -1.8355 -1.8141 -1.8141 0.3681 0.3681 0.3994 0.3994 0.6097 0.6097 0.6195 0.6195 1.8157 1.8157 1.8344 1.8344 1.9993 1.9993 2.0179 2.0179 3.3193 3.3193 3.3217 3.3217 4.0685 4.0685 4.0693 4.0693 4.2425 4.2425 4.2522 4.2522 8.6463 8.6463 8.6509 8.6509 9.5213 9.5213 9.5389 9.5389 11.1533 11.1533 k = 0.1414 0.2298 0.5351 ( 4884 PWs) bands (ev): -12.6046 -12.6046 -12.6038 -12.6038 -10.3612 -10.3612 -10.3604 -10.3604 -9.8159 -9.8159 -9.8130 -9.8130 -3.5809 -3.5809 -3.5761 -3.5761 -1.7942 -1.7942 -1.7729 -1.7729 0.3557 0.3557 0.3866 0.3866 0.5950 0.5950 0.6038 0.6038 1.8147 1.8147 1.8325 1.8325 2.0164 2.0164 2.0342 2.0342 3.3270 3.3270 3.3297 3.3297 4.0824 4.0824 4.0830 4.0830 4.2496 4.2496 4.2592 4.2592 8.6453 8.6453 8.6497 8.6497 9.4932 9.4932 9.5103 9.5103 11.1669 11.1669 k = 0.1325 0.2154 0.5351 ( 4888 PWs) bands (ev): -12.6104 -12.6104 -12.6096 -12.6096 -10.3745 -10.3745 -10.3737 -10.3737 -9.7823 -9.7823 -9.7795 -9.7795 -3.6350 -3.6350 -3.6307 -3.6307 -1.7547 -1.7547 -1.7337 -1.7337 0.3440 0.3440 0.3744 0.3744 0.5801 0.5801 0.5880 0.5880 1.8145 1.8145 1.8314 1.8314 2.0311 2.0311 2.0479 2.0479 3.3367 3.3367 3.3398 3.3398 4.0961 4.0961 4.0966 4.0966 4.2563 4.2563 4.2658 4.2658 8.6433 8.6433 8.6475 8.6475 9.4654 9.4654 9.4819 9.4819 11.1778 11.1778 k = 0.1237 0.2011 0.5351 ( 4880 PWs) bands (ev): -12.6160 -12.6160 -12.6153 -12.6153 -10.3870 -10.3870 -10.3862 -10.3862 -9.7499 -9.7499 -9.7472 -9.7472 -3.6869 -3.6869 -3.6829 -3.6829 -1.7172 -1.7172 -1.6967 -1.6967 0.3331 0.3331 0.3628 0.3628 0.5651 0.5651 0.5722 0.5722 1.8151 1.8151 1.8311 1.8311 2.0433 2.0433 2.0591 2.0591 3.3483 3.3483 3.3518 3.3518 4.1097 4.1097 4.1100 4.1100 4.2626 4.2626 4.2719 4.2719 8.6403 8.6403 8.6443 8.6443 9.4381 9.4381 9.4539 9.4539 11.1863 11.1863 k = 0.1149 0.1867 0.5351 ( 4884 PWs) bands (ev): -12.6213 -12.6213 -12.6206 -12.6206 -10.3985 -10.3985 -10.3978 -10.3978 -9.7187 -9.7187 -9.7161 -9.7161 -3.7363 -3.7363 -3.7327 -3.7327 -1.6818 -1.6818 -1.6619 -1.6619 0.3231 0.3231 0.3519 0.3519 0.5503 0.5503 0.5566 0.5566 1.8163 1.8163 1.8314 1.8314 2.0531 2.0531 2.0676 2.0676 3.3617 3.3617 3.3656 3.3656 4.1229 4.1229 4.1231 4.1231 4.2685 4.2685 4.2775 4.2775 8.6363 8.6363 8.6401 8.6401 9.4116 9.4116 9.4267 9.4267 11.1931 11.1931 k = 0.1060 0.1724 0.5351 ( 4884 PWs) bands (ev): -12.6264 -12.6264 -12.6257 -12.6257 -10.4092 -10.4092 -10.4085 -10.4085 -9.6890 -9.6890 -9.6866 -9.6866 -3.7831 -3.7831 -3.7798 -3.7798 -1.6485 -1.6485 -1.6294 -1.6294 0.3140 0.3140 0.3416 0.3416 0.5359 0.5359 0.5414 0.5414 1.8181 1.8181 1.8322 1.8322 2.0605 2.0605 2.0738 2.0738 3.3766 3.3766 3.3808 3.3808 4.1356 4.1356 4.1357 4.1357 4.2740 4.2740 4.2827 4.2827 8.6312 8.6312 8.6349 8.6349 9.3861 9.3861 9.4004 9.4004 11.1987 11.1987 k = 0.0972 0.1580 0.5351 ( 4876 PWs) bands (ev): -12.6311 -12.6311 -12.6305 -12.6305 -10.4190 -10.4190 -10.4184 -10.4184 -9.6609 -9.6609 -9.6586 -9.6586 -3.8270 -3.8270 -3.8241 -3.8241 -1.6175 -1.6175 -1.5993 -1.5993 0.3057 0.3057 0.3321 0.3321 0.5219 0.5219 0.5267 0.5267 1.8204 1.8204 1.8334 1.8334 2.0657 2.0657 2.0777 2.0777 3.3926 3.3926 3.3972 3.3972 4.1478 4.1478 4.1478 4.1478 4.2791 4.2791 4.2875 4.2875 8.6253 8.6253 8.6289 8.6289 9.3619 9.3619 9.3752 9.3752 11.2036 11.2036 k = 0.0884 0.1436 0.5351 ( 4880 PWs) bands (ev): -12.6355 -12.6355 -12.6350 -12.6350 -10.4279 -10.4279 -10.4273 -10.4273 -9.6346 -9.6346 -9.6325 -9.6325 -3.8678 -3.8678 -3.8653 -3.8653 -1.5888 -1.5888 -1.5716 -1.5716 0.2983 0.2983 0.3232 0.3232 0.5087 0.5087 0.5128 0.5128 1.8230 1.8230 1.8349 1.8349 2.0689 2.0689 2.0797 2.0797 3.4095 3.4095 3.4142 3.4142 4.1592 4.1592 4.1593 4.1593 4.2839 4.2839 4.2919 4.2919 8.6187 8.6187 8.6221 8.6221 9.3391 9.3391 9.3515 9.3515 11.2082 11.2082 k = 0.0795 0.1293 0.5351 ( 4886 PWs) bands (ev): -12.6396 -12.6396 -12.6391 -12.6391 -10.4359 -10.4359 -10.4354 -10.4354 -9.6102 -9.6102 -9.6083 -9.6083 -3.9054 -3.9054 -3.9032 -3.9032 -1.5624 -1.5624 -1.5464 -1.5464 0.2919 0.2919 0.3150 0.3150 0.4962 0.4962 0.4998 0.4998 1.8258 1.8258 1.8366 1.8366 2.0706 2.0706 2.0800 2.0800 3.4266 3.4266 3.4314 3.4314 4.1699 4.1699 4.1700 4.1700 4.2883 4.2883 4.2958 4.2958 8.6116 8.6116 8.6147 8.6147 9.3179 9.3179 9.3292 9.3292 11.2127 11.2127 k = 0.0707 0.1149 0.5351 ( 4886 PWs) bands (ev): -12.6433 -12.6433 -12.6428 -12.6428 -10.4431 -10.4431 -10.4427 -10.4427 -9.5879 -9.5879 -9.5862 -9.5862 -3.9396 -3.9396 -3.9376 -3.9376 -1.5385 -1.5385 -1.5239 -1.5239 0.2863 0.2863 0.3076 0.3076 0.4847 0.4847 0.4877 0.4877 1.8287 1.8287 1.8384 1.8384 2.0709 2.0709 2.0791 2.0791 3.4437 3.4437 3.4484 3.4484 4.1796 4.1796 4.1798 4.1798 4.2924 4.2924 4.2993 4.2993 8.6042 8.6042 8.6071 8.6071 9.2985 9.2985 9.3088 9.3088 11.2173 11.2173 k = 0.0619 0.1005 0.5351 ( 4882 PWs) bands (ev): -12.6466 -12.6466 -12.6462 -12.6462 -10.4494 -10.4494 -10.4490 -10.4490 -9.5679 -9.5679 -9.5663 -9.5663 -3.9702 -3.9702 -3.9685 -3.9685 -1.5171 -1.5171 -1.5039 -1.5039 0.2817 0.2817 0.3008 0.3008 0.4743 0.4743 0.4768 0.4768 1.8315 1.8315 1.8401 1.8401 2.0702 2.0702 2.0773 2.0773 3.4602 3.4602 3.4647 3.4647 4.1885 4.1885 4.1887 4.1887 4.2960 4.2960 4.3023 4.3023 8.5968 8.5968 8.5994 8.5994 9.2811 9.2811 9.2902 9.2902 11.2219 11.2219 k = 0.0530 0.0862 0.5351 ( 4882 PWs) bands (ev): -12.6495 -12.6495 -12.6492 -12.6492 -10.4549 -10.4549 -10.4545 -10.4545 -9.5502 -9.5502 -9.5488 -9.5488 -3.9970 -3.9970 -3.9956 -3.9956 -1.4982 -1.4982 -1.4867 -1.4867 0.2779 0.2779 0.2947 0.2947 0.4651 0.4651 0.4672 0.4672 1.8343 1.8343 1.8417 1.8417 2.0689 2.0689 2.0749 2.0749 3.4756 3.4756 3.4797 3.4797 4.1963 4.1963 4.1965 4.1965 4.2993 4.2993 4.3048 4.3048 8.5897 8.5897 8.5920 8.5920 9.2659 9.2659 9.2737 9.2737 11.2266 11.2266 k = 0.0442 0.0718 0.5351 ( 4862 PWs) bands (ev): -12.6520 -12.6520 -12.6517 -12.6517 -10.4595 -10.4595 -10.4592 -10.4592 -9.5350 -9.5350 -9.5338 -9.5338 -4.0200 -4.0200 -4.0188 -4.0188 -1.4820 -1.4820 -1.4722 -1.4722 0.2750 0.2750 0.2894 0.2894 0.4572 0.4572 0.4588 0.4588 1.8369 1.8369 1.8431 1.8431 2.0673 2.0673 2.0722 2.0722 3.4895 3.4895 3.4932 3.4932 4.2031 4.2031 4.2032 4.2032 4.3022 4.3022 4.3069 4.3069 8.5832 8.5832 8.5851 8.5851 9.2528 9.2528 9.2594 9.2594 11.2312 11.2312 k = 0.0353 0.0575 0.5351 ( 4862 PWs) bands (ev): -12.6540 -12.6540 -12.6538 -12.6538 -10.4632 -10.4632 -10.4630 -10.4630 -9.5223 -9.5223 -9.5214 -9.5214 -4.0389 -4.0389 -4.0380 -4.0380 -1.4684 -1.4684 -1.4604 -1.4604 0.2730 0.2730 0.2847 0.2847 0.4506 0.4506 0.4519 0.4519 1.8393 1.8393 1.8443 1.8443 2.0656 2.0656 2.0695 2.0695 3.5015 3.5015 3.5047 3.5047 4.2086 4.2086 4.2088 4.2088 4.3047 4.3047 4.3086 4.3086 8.5774 8.5774 8.5790 8.5790 9.2421 9.2421 9.2475 9.2475 11.2356 11.2356 k = 0.0265 0.0431 0.5351 ( 4854 PWs) bands (ev): -12.6556 -12.6556 -12.6554 -12.6554 -10.4661 -10.4661 -10.4660 -10.4660 -9.5124 -9.5124 -9.5117 -9.5117 -4.0537 -4.0537 -4.0531 -4.0531 -1.4576 -1.4576 -1.4515 -1.4515 0.2718 0.2718 0.2807 0.2807 0.4455 0.4455 0.4464 0.4464 1.8413 1.8413 1.8451 1.8451 2.0642 2.0642 2.0670 2.0670 3.5114 3.5114 3.5138 3.5138 4.2131 4.2131 4.2132 4.2132 4.3068 4.3068 4.3097 4.3097 8.5727 8.5727 8.5740 8.5740 9.2339 9.2339 9.2379 9.2379 11.2396 11.2396 k = 0.0177 0.0287 0.5351 ( 4858 PWs) bands (ev): -12.6567 -12.6567 -12.6566 -12.6566 -10.4682 -10.4682 -10.4681 -10.4681 -9.5052 -9.5052 -9.5047 -9.5047 -4.0644 -4.0644 -4.0639 -4.0639 -1.4495 -1.4495 -1.4454 -1.4454 0.2714 0.2714 0.2774 0.2774 0.4418 0.4418 0.4424 0.4424 1.8430 1.8430 1.8455 1.8455 2.0631 2.0631 2.0650 2.0650 3.5187 3.5187 3.5204 3.5204 4.2162 4.2162 4.2163 4.2163 4.3084 4.3084 4.3104 4.3104 8.5693 8.5693 8.5702 8.5702 9.2281 9.2281 9.2308 9.2308 11.2429 11.2429 k = 0.0088 0.0144 0.5351 ( 4852 PWs) bands (ev): -12.6574 -12.6574 -12.6573 -12.6573 -10.4694 -10.4694 -10.4694 -10.4694 -9.5008 -9.5008 -9.5006 -9.5006 -4.0707 -4.0707 -4.0705 -4.0705 -1.4442 -1.4442 -1.4422 -1.4422 0.2718 0.2718 0.2748 0.2748 0.4396 0.4396 0.4399 0.4399 1.8443 1.8443 1.8455 1.8455 2.0626 2.0626 2.0636 2.0636 3.5234 3.5234 3.5243 3.5243 4.2182 4.2182 4.2182 4.2182 4.3096 4.3096 4.3106 4.3106 8.5673 8.5673 8.5677 8.5677 9.2249 9.2249 9.2263 9.2263 11.2457 11.2457 k = 0.0000 0.0000 0.5351 ( 4852 PWs) bands (ev): -12.6576 -12.6576 -12.6576 -12.6576 -10.4698 -10.4698 -10.4698 -10.4698 -9.4993 -9.4993 -9.4993 -9.4993 -4.0728 -4.0728 -4.0728 -4.0728 -1.4418 -1.4418 -1.4418 -1.4418 0.2729 0.2729 0.2729 0.2729 0.4390 0.4390 0.4390 0.4390 1.8451 1.8451 1.8451 1.8451 2.0628 2.0628 2.0628 2.0628 3.5253 3.5253 3.5253 3.5253 4.2188 4.2188 4.2188 4.2188 4.3103 4.3103 4.3103 4.3103 8.5667 8.5667 8.5667 8.5667 9.2243 9.2243 9.2243 9.2243 11.2476 11.2476 k = 0.0000 0.0000 0.5351 ( 4852 PWs) bands (ev): -12.6576 -12.6576 -12.6576 -12.6576 -10.4698 -10.4698 -10.4698 -10.4698 -9.4993 -9.4993 -9.4993 -9.4993 -4.0728 -4.0728 -4.0728 -4.0728 -1.4418 -1.4418 -1.4418 -1.4418 0.2729 0.2729 0.2729 0.2729 0.4390 0.4390 0.4390 0.4390 1.8451 1.8451 1.8451 1.8451 2.0628 2.0628 2.0628 2.0628 3.5253 3.5253 3.5253 3.5253 4.2188 4.2188 4.2188 4.2188 4.3103 4.3103 4.3103 4.3103 8.5667 8.5667 8.5667 8.5667 9.2243 9.2243 9.2243 9.2243 11.2476 11.2476 k = 0.0000 0.0000 0.5179 ( 4858 PWs) bands (ev): -12.6767 -12.6767 -12.6389 -12.6389 -10.5080 -10.5080 -10.4301 -10.4301 -9.5100 -9.5100 -9.4890 -9.4890 -4.0812 -4.0812 -4.0607 -4.0607 -1.5707 -1.5707 -1.3148 -1.3148 0.2264 0.2264 0.3197 0.3197 0.4094 0.4094 0.4677 0.4677 1.8382 1.8382 1.8473 1.8473 2.0509 2.0509 2.0769 2.0769 3.5152 3.5152 3.5352 3.5352 4.2166 4.2166 4.2208 4.2208 4.3079 4.3079 4.3104 4.3104 8.5310 8.5310 8.6003 8.6003 9.2257 9.2257 9.2333 9.2333 11.1730 11.1730 k = 0.0000 0.0000 0.5006 ( 4858 PWs) bands (ev): -12.6962 -12.6962 -12.6206 -12.6206 -10.5444 -10.5444 -10.3886 -10.3886 -9.5212 -9.5212 -9.4792 -9.4792 -4.0860 -4.0860 -4.0452 -4.0452 -1.7009 -1.7009 -1.1904 -1.1904 0.1820 0.1820 0.3504 0.3504 0.3953 0.3953 0.4937 0.4937 1.8272 1.8272 1.8442 1.8442 2.0415 2.0415 2.0933 2.0933 3.5053 3.5053 3.5449 3.5449 4.2142 4.2142 4.2225 4.2225 4.3033 4.3033 4.3079 4.3079 8.4929 8.4929 8.6317 8.6317 9.2378 9.2378 9.2523 9.2523 11.0951 11.0951 k = 0.0000 0.0000 0.4834 ( 4861 PWs) bands (ev): -12.7159 -12.7159 -12.6028 -12.6028 -10.5792 -10.5792 -10.3456 -10.3456 -9.5328 -9.5328 -9.4700 -9.4700 -4.0872 -4.0872 -4.0261 -4.0261 -1.8319 -1.8319 -1.0695 -1.0695 0.1409 0.1409 0.3276 0.3276 0.4339 0.4339 0.5161 0.5161 1.8129 1.8129 1.8357 1.8357 2.0343 2.0343 2.1119 2.1119 3.4957 3.4957 3.5541 3.5541 4.2117 4.2117 4.2239 4.2239 4.2966 4.2966 4.3031 4.3031 8.4523 8.4523 8.6613 8.6613 9.2605 9.2605 9.2809 9.2809 11.0143 11.0143 k = 0.0000 0.0000 0.4661 ( 4867 PWs) bands (ev): -12.7358 -12.7358 -12.5855 -12.5855 -10.6122 -10.6122 -10.3011 -10.3011 -9.5447 -9.5447 -9.4613 -9.4613 -4.0847 -4.0847 -4.0036 -4.0036 -1.9634 -1.9634 -0.9533 -0.9533 0.1043 0.1043 0.2917 0.2917 0.4838 0.4838 0.5352 0.5352 1.7963 1.7963 1.8214 1.8214 2.0294 2.0294 2.1327 2.1327 3.4866 3.4866 3.5626 3.5626 4.2093 4.2093 4.2251 4.2251 4.2879 4.2879 4.2958 4.2958 8.4090 8.4090 8.6890 8.6890 9.2937 9.2937 9.3185 9.3185 10.9312 10.9312 k = 0.0000 0.0000 0.4488 ( 4871 PWs) bands (ev): -12.7559 -12.7559 -12.5689 -12.5689 -10.6437 -10.6437 -10.2550 -10.2550 -9.5568 -9.5568 -9.4532 -9.4532 -4.0787 -4.0787 -3.9778 -3.9778 -2.0948 -2.0948 -0.8438 -0.8438 0.0738 0.0738 0.2532 0.2532 0.5272 0.5272 0.5576 0.5576 1.7785 1.7785 1.8014 1.8014 2.0268 2.0268 2.1554 2.1554 3.4782 3.4782 3.5702 3.5702 4.2069 4.2069 4.2260 4.2260 4.2777 4.2777 4.2862 4.2862 8.3630 8.3630 8.7150 8.7150 9.3371 9.3371 9.3642 9.3642 10.8461 10.8461 k = 0.0000 0.0000 0.4316 ( 4867 PWs) bands (ev): -12.7760 -12.7760 -12.5528 -12.5528 -10.6734 -10.6734 -10.2076 -10.2076 -9.5692 -9.5692 -9.4456 -9.4456 -4.0690 -4.0690 -3.9489 -3.9489 -2.2259 -2.2259 -0.7433 -0.7433 0.0518 0.0518 0.2134 0.2134 0.5425 0.5425 0.6027 0.6027 1.7605 1.7605 1.7758 1.7758 2.0264 2.0264 2.1799 2.1799 3.4707 3.4707 3.5768 3.5768 4.2048 4.2048 4.2267 4.2267 4.2661 4.2661 4.2744 4.2744 8.3141 8.3141 8.7393 8.7393 9.3904 9.3904 9.4172 9.4172 10.7596 10.7596 k = 0.0000 0.0000 0.4143 ( 4869 PWs) bands (ev): -12.7961 -12.7961 -12.5374 -12.5374 -10.7016 -10.7016 -10.1589 -10.1589 -9.5818 -9.5818 -9.4387 -9.4387 -4.0559 -4.0559 -3.9168 -3.9168 -2.3563 -2.3563 -0.6557 -0.6557 0.0416 0.0416 0.1727 0.1727 0.5422 0.5422 0.6569 0.6569 1.7422 1.7422 1.7462 1.7462 2.0282 2.0282 2.2059 2.2059 3.4645 3.4645 3.5820 3.5820 4.2031 4.2031 4.2268 4.2268 4.2538 4.2538 4.2605 4.2605 8.2622 8.2622 8.7621 8.7621 9.4527 9.4527 9.4765 9.4765 10.6721 10.6721 k = 0.0000 0.0000 0.3970 ( 4877 PWs) bands (ev): -12.8160 -12.8160 -12.5226 -12.5226 -10.7282 -10.7282 -10.1089 -10.1089 -9.5945 -9.5945 -9.4324 -9.4324 -4.0394 -4.0394 -3.8818 -3.8818 -2.4857 -2.4857 -0.5853 -0.5853 0.0473 0.0473 0.1318 0.1318 0.5327 0.5327 0.7127 0.7127 1.7082 1.7082 1.7294 1.7294 2.0320 2.0320 2.2331 2.2331 3.4596 3.4596 3.5855 3.5855 4.2017 4.2017 4.2255 4.2255 4.2419 4.2419 4.2452 4.2452 8.2075 8.2075 8.7832 8.7832 9.5227 9.5227 9.5418 9.5418 10.5841 10.5841 k = 0.0000 0.0000 0.3798 ( 4889 PWs) bands (ev): -12.8359 -12.8359 -12.5085 -12.5085 -10.7532 -10.7532 -10.0580 -10.0580 -9.6072 -9.6072 -9.4266 -9.4266 -4.0195 -4.0195 -3.8440 -3.8440 -2.6138 -2.6138 -0.5360 -0.5360 0.0669 0.0669 0.0963 0.0963 0.5145 0.5145 0.7691 0.7691 1.6675 1.6675 1.7177 1.7177 2.0379 2.0379 2.2611 2.2611 3.4566 3.4566 3.5872 3.5872 4.2008 4.2008 4.2185 4.2185 4.2283 4.2283 4.2356 4.2356 8.1498 8.1498 8.8028 8.8028 9.5960 9.5960 9.6153 9.6153 10.4961 10.4961 k = 0.0000 0.0000 0.3625 ( 4879 PWs) bands (ev): -12.8554 -12.8554 -12.4951 -12.4951 -10.7767 -10.7767 -10.0062 -10.0062 -9.6198 -9.6198 -9.4215 -9.4215 -3.9965 -3.9965 -3.8036 -3.8036 -2.7401 -2.7401 -0.5083 -0.5083 0.0421 0.0421 0.1252 0.1252 0.4875 0.4875 0.8256 0.8256 1.6226 1.6226 1.7097 1.7097 2.0456 2.0456 2.2893 2.2893 3.4556 3.4556 3.5868 3.5868 4.1994 4.1994 4.2043 4.2043 4.2135 4.2135 4.2343 4.2343 8.0893 8.0893 8.8207 8.8207 9.6670 9.6670 9.7001 9.7001 10.4087 10.4087 k = 0.0000 0.0000 0.3453 ( 4883 PWs) bands (ev): -12.8746 -12.8746 -12.4824 -12.4824 -10.7988 -10.7988 -9.9536 -9.9536 -9.6324 -9.6324 -9.4169 -9.4169 -3.9704 -3.9704 -3.7609 -3.7609 -2.8645 -2.8645 -0.4991 -0.4991 0.0002 0.0002 0.1880 0.1880 0.4520 0.4520 0.8820 0.8820 1.5742 1.5742 1.7057 1.7057 2.0551 2.0551 2.3173 2.3173 3.4570 3.4570 3.5840 3.5840 4.1846 4.1846 4.1951 4.1951 4.2056 4.2056 4.2347 4.2347 8.0260 8.0260 8.8370 8.8370 9.7352 9.7352 9.7940 9.7940 10.3222 10.3222 k = 0.0000 0.0000 0.3280 ( 4877 PWs) bands (ev): -12.8935 -12.8935 -12.4703 -12.4703 -10.8194 -10.8194 -9.9005 -9.9005 -9.6448 -9.6448 -9.4128 -9.4128 -3.9415 -3.9415 -3.7159 -3.7159 -2.9866 -2.9866 -0.5031 -0.5031 -0.0430 -0.0430 0.2634 0.2634 0.4086 0.4086 0.9381 0.9381 1.5229 1.5229 1.7056 1.7056 2.0662 2.0662 2.3443 2.3443 3.4610 3.4610 3.5786 3.5786 4.1642 4.1642 4.1840 4.1840 4.2057 4.2057 4.2358 4.2358 7.9603 7.9603 8.8515 8.8515 9.8001 9.8001 9.8947 9.8947 10.2372 10.2372 k = 0.0000 0.0000 0.3107 ( 4883 PWs) bands (ev): -12.9118 -12.9118 -12.4590 -12.4590 -10.8387 -10.8387 -9.8472 -9.8472 -9.6570 -9.6570 -9.4092 -9.4092 -3.9100 -3.9100 -3.6690 -3.6690 -3.1061 -3.1061 -0.5156 -0.5156 -0.0867 -0.0867 0.3451 0.3451 0.3589 0.3589 0.9935 0.9935 1.4693 1.4693 1.7093 1.7093 2.0787 2.0787 2.3699 2.3699 3.4680 3.4680 3.5704 3.5704 4.1432 4.1432 4.1731 4.1731 4.2079 4.2079 4.2373 4.2373 7.8922 7.8922 8.8641 8.8641 9.8597 9.8597 10.0009 10.0009 10.1544 10.1544 k = 0.0000 0.0000 0.2935 ( 4883 PWs) bands (ev): -12.9296 -12.9296 -12.4484 -12.4484 -10.8566 -10.8566 -9.7938 -9.7938 -9.6689 -9.6689 -9.4061 -9.4061 -3.8761 -3.8761 -3.6204 -3.6204 -3.2225 -3.2225 -0.5331 -0.5331 -0.1307 -0.1307 0.3011 0.3011 0.4321 0.4321 1.0481 1.0481 1.4142 1.4142 1.7161 1.7161 2.0926 2.0926 2.3932 2.3932 3.4781 3.4781 3.5594 3.5594 4.1223 4.1223 4.1634 4.1634 4.2111 4.2111 4.2389 4.2389 7.8222 7.8222 8.8747 8.8747 9.9119 9.9119 10.0719 10.0719 10.1141 10.1141 k = 0.0000 0.0000 0.2762 ( 4891 PWs) bands (ev): -12.9467 -12.9467 -12.4384 -12.4384 -10.8732 -10.8732 -9.7406 -9.7406 -9.6804 -9.6804 -9.4035 -9.4035 -3.8400 -3.8400 -3.5704 -3.5704 -3.3355 -3.3355 -0.5535 -0.5535 -0.1749 -0.1749 0.2393 0.2393 0.5191 0.5191 1.1017 1.1017 1.3582 1.3582 1.7257 1.7257 2.1076 2.1076 2.4136 2.4136 3.4912 3.4912 3.5458 3.5458 4.1020 4.1020 4.1553 4.1553 4.2153 4.2153 4.2408 4.2408 7.7505 7.7505 8.8832 8.8832 9.9545 9.9545 9.9961 9.9961 10.2277 10.2277 k = 0.0000 0.0000 0.2589 ( 4895 PWs) bands (ev): -12.9632 -12.9632 -12.4292 -12.4292 -10.8886 -10.8886 -9.6938 -9.6938 -9.6857 -9.6857 -9.4012 -9.4012 -3.8021 -3.8021 -3.5194 -3.5194 -3.4448 -3.4448 -0.5752 -0.5752 -0.2192 -0.2192 0.1736 0.1736 0.6056 0.6056 1.1539 1.1539 1.3022 1.3022 1.7373 1.7373 2.1235 2.1235 2.4306 2.4306 3.5064 3.5064 3.5304 3.5304 4.0832 4.0832 4.1489 4.1489 4.2202 4.2202 4.2429 4.2429 7.6776 7.6776 8.8894 8.8894 9.9218 9.9218 9.9873 9.9873 10.3453 10.3453 k = 0.0000 0.0000 0.2417 ( 4895 PWs) bands (ev): -12.9789 -12.9789 -12.4206 -12.4206 -10.9028 -10.9028 -9.7028 -9.7028 -9.6355 -9.6355 -9.3994 -9.3994 -3.7627 -3.7627 -3.5501 -3.5501 -3.4674 -3.4674 -0.5973 -0.5973 -0.2635 -0.2635 0.1051 0.1051 0.6906 0.6906 1.2038 1.2038 1.2476 1.2476 1.7503 1.7503 2.1402 2.1402 2.4437 2.4437 3.5074 3.5074 3.5292 3.5292 4.0667 4.0667 4.1442 4.1442 4.2258 4.2258 4.2451 4.2451 7.6039 7.6039 8.8931 8.8931 9.8525 9.8525 10.0080 10.0080 10.4651 10.4651 k = 0.0000 0.0000 0.2244 ( 4897 PWs) bands (ev): -12.9938 -12.9938 -12.4126 -12.4126 -10.9158 -10.9158 -9.7129 -9.7129 -9.5847 -9.5847 -9.3978 -9.3978 -3.7223 -3.7223 -3.6507 -3.6507 -3.4154 -3.4154 -0.6191 -0.6191 -0.3077 -0.3077 0.0349 0.0349 0.7731 0.7731 1.1909 1.1909 1.2553 1.2553 1.7644 1.7644 2.1573 2.1573 2.4526 2.4526 3.4879 3.4879 3.5481 3.5481 4.0532 4.0532 4.1411 4.1411 4.2321 4.2321 4.2473 4.2473 7.5299 7.5299 8.8943 8.8943 9.7877 9.7877 10.0179 10.0179 10.5860 10.5860 k = 0.0000 0.0000 0.2072 ( 4893 PWs) bands (ev): -13.0078 -13.0078 -12.4053 -12.4053 -10.9277 -10.9277 -9.7226 -9.7226 -9.5354 -9.5354 -9.3966 -9.3966 -3.7467 -3.7467 -3.6808 -3.6808 -3.3634 -3.3634 -0.6401 -0.6401 -0.3516 -0.3516 -0.0358 -0.0358 0.8527 0.8527 1.1390 1.1390 1.3020 1.3020 1.7789 1.7789 2.1748 2.1748 2.4573 2.4573 3.4655 3.4655 3.5687 3.5687 4.0439 4.0439 4.1395 4.1395 4.2388 4.2388 4.2496 4.2496 7.4563 7.4563 8.8929 8.8929 9.7282 9.7282 10.0180 10.0180 10.7070 10.7070 k = 0.0000 0.0000 0.1899 ( 4893 PWs) bands (ev): -13.0209 -13.0209 -12.3987 -12.3987 -10.9385 -10.9385 -9.7317 -9.7317 -9.4880 -9.4880 -9.3955 -9.3955 -3.8370 -3.8370 -3.6396 -3.6396 -3.3120 -3.3120 -0.6602 -0.6602 -0.3949 -0.3949 -0.1060 -0.1060 0.9283 0.9283 1.0896 1.0896 1.3469 1.3469 1.7935 1.7935 2.1923 2.1923 2.4579 2.4579 3.4418 3.4418 3.5885 3.5885 4.0397 4.0397 4.1390 4.1390 4.2458 4.2458 4.2520 4.2520 7.3837 7.3837 8.8888 8.8888 9.6742 9.6742 10.0100 10.0100 10.8273 10.8273 k = 0.0000 0.0000 0.1726 ( 4891 PWs) bands (ev): -13.0330 -13.0330 -12.3927 -12.3927 -10.9483 -10.9483 -9.7401 -9.7401 -9.4429 -9.4429 -9.3945 -9.3945 -3.9215 -3.9215 -3.5986 -3.5986 -3.2618 -3.2618 -0.6790 -0.6790 -0.4374 -0.4374 -0.1746 -0.1746 0.9954 0.9954 1.0480 1.0480 1.3895 1.3895 1.8077 1.8077 2.2096 2.2096 2.4545 2.4545 3.4173 3.4173 3.6060 3.6060 4.0416 4.0416 4.1396 4.1396 4.2529 4.2529 4.2543 4.2543 7.3128 7.3128 8.8821 8.8821 9.6263 9.6263 9.9959 9.9959 10.9457 10.9457 k = 0.0000 0.0000 0.1554 ( 4891 PWs) bands (ev): -13.0441 -13.0441 -12.3873 -12.3873 -10.9570 -10.9570 -9.7479 -9.7479 -9.4032 -9.4032 -9.3909 -9.3909 -3.9999 -3.9999 -3.5585 -3.5585 -3.2132 -3.2132 -0.6965 -0.6965 -0.4787 -0.4787 -0.2406 -0.2406 0.9910 0.9910 1.0771 1.0771 1.4292 1.4292 1.8213 1.8213 2.2264 2.2264 2.4477 2.4477 3.3928 3.3928 3.6201 3.6201 4.0498 4.0498 4.1410 4.1410 4.2564 4.2564 4.2602 4.2602 7.2444 7.2444 8.8732 8.8732 9.5844 9.5844 9.9777 9.9777 11.0612 11.0612 k = 0.0000 0.0000 0.1381 ( 4895 PWs) bands (ev): -13.0541 -13.0541 -12.3825 -12.3825 -10.9647 -10.9647 -9.7549 -9.7549 -9.3951 -9.3951 -9.3590 -9.3590 -4.0715 -4.0715 -3.5199 -3.5199 -3.1670 -3.1670 -0.7124 -0.7124 -0.5182 -0.5182 -0.3030 -0.3030 0.9530 0.9530 1.1391 1.1391 1.4660 1.4660 1.8341 1.8341 2.2425 2.2425 2.4380 2.4380 3.3687 3.3687 3.6302 3.6302 4.0639 4.0639 4.1429 4.1429 4.2584 4.2584 4.2673 4.2673 7.1793 7.1793 8.8625 8.8625 9.5484 9.5484 9.9572 9.9572 11.1724 11.1724 k = 0.0000 0.0000 0.1208 ( 4901 PWs) bands (ev): -13.0631 -13.0631 -12.3782 -12.3782 -10.9715 -10.9715 -9.7612 -9.7612 -9.3944 -9.3944 -9.3232 -9.3232 -4.1360 -4.1360 -3.4835 -3.4835 -3.1238 -3.1238 -0.7267 -0.7267 -0.5555 -0.5555 -0.3608 -0.3608 0.9172 0.9172 1.1980 1.1980 1.4993 1.4993 1.8458 1.8458 2.2576 2.2576 2.4261 2.4261 3.3456 3.3456 3.6364 3.6364 4.0829 4.0829 4.1452 4.1452 4.2604 4.2604 4.2740 4.2740 7.1185 7.1185 8.8505 8.8505 9.5183 9.5183 9.9359 9.9359 11.2781 11.2781 k = 0.0000 0.0000 0.1036 ( 4903 PWs) bands (ev): -13.0709 -13.0709 -12.3746 -12.3746 -10.9773 -10.9773 -9.7668 -9.7668 -9.3941 -9.3941 -9.2910 -9.2910 -4.1929 -4.1929 -3.4501 -3.4501 -3.0843 -3.0843 -0.7394 -0.7394 -0.5898 -0.5898 -0.4132 -0.4132 0.8855 0.8855 1.2516 1.2516 1.5290 1.5290 1.8563 1.8563 2.2713 2.2713 2.4128 2.4128 3.3241 3.3241 3.6395 3.6395 4.1047 4.1047 4.1477 4.1477 4.2621 4.2621 4.2803 4.2803 7.0630 7.0630 8.8379 8.8379 9.4935 9.4935 9.9151 9.9151 11.3765 11.3765 k = 0.0000 0.0000 0.0863 ( 4893 PWs) bands (ev): -13.0775 -13.0775 -12.3716 -12.3716 -10.9822 -10.9822 -9.7715 -9.7715 -9.3939 -9.3939 -9.2629 -9.2629 -4.2419 -4.2419 -3.4202 -3.4202 -3.0492 -3.0492 -0.7504 -0.7504 -0.6205 -0.6205 -0.4591 -0.4591 0.8582 0.8582 1.2993 1.2993 1.5548 1.5548 1.8653 1.8653 2.2835 2.2835 2.3991 2.3991 3.3048 3.3048 3.6402 3.6402 4.1271 4.1271 4.1506 4.1506 4.2636 4.2636 4.2858 4.2858 7.0138 7.0138 8.8256 8.8256 9.4737 9.4737 9.8959 9.8959 11.4659 11.4659 k = 0.0000 0.0000 0.0691 ( 4883 PWs) bands (ev): -13.0830 -13.0830 -12.3691 -12.3691 -10.9862 -10.9862 -9.7754 -9.7754 -9.3939 -9.3939 -9.2394 -9.2394 -4.2825 -4.2825 -3.3946 -3.3946 -3.0193 -3.0193 -0.7597 -0.7597 -0.6468 -0.6468 -0.4978 -0.4978 0.8356 0.8356 1.3400 1.3400 1.5763 1.5763 1.8729 1.8729 2.2937 2.2937 2.3860 2.3860 3.2881 3.2881 3.6396 3.6396 4.1453 4.1453 4.1566 4.1566 4.2649 4.2649 4.2906 4.2906 6.9717 6.9717 8.8143 8.8143 9.4583 9.4583 9.8791 9.8791 11.5441 11.5441 k = 0.0000 0.0000 0.0518 ( 4891 PWs) bands (ev): -13.0873 -13.0873 -12.3671 -12.3671 -10.9893 -10.9893 -9.7784 -9.7784 -9.3938 -9.3938 -9.2208 -9.2208 -4.3145 -4.3145 -3.3739 -3.3739 -2.9952 -2.9952 -0.7671 -0.7671 -0.6681 -0.6681 -0.5287 -0.5287 0.8179 0.8179 1.3729 1.3729 1.5933 1.5933 1.8789 1.8789 2.3017 2.3017 2.3746 2.3746 3.2745 3.2745 3.6383 3.6383 4.1513 4.1513 4.1716 4.1716 4.2659 4.2659 4.2945 4.2945 6.9379 6.9379 8.8047 8.8047 9.4469 9.4469 9.8654 9.8654 11.6087 11.6087 k = 0.0000 0.0000 0.0345 ( 4887 PWs) bands (ev): -13.0903 -13.0903 -12.3658 -12.3658 -10.9915 -10.9915 -9.7806 -9.7806 -9.3938 -9.3938 -9.2072 -9.2072 -4.3375 -4.3375 -3.3587 -3.3587 -2.9776 -2.9776 -0.7727 -0.7727 -0.6836 -0.6836 -0.5511 -0.5511 0.8052 0.8052 1.3971 1.3971 1.6056 1.6056 1.8832 1.8832 2.3074 2.3074 2.3658 2.3658 3.2645 3.2645 3.6370 3.6370 4.1533 4.1533 4.1857 4.1857 4.2667 4.2667 4.2973 4.2973 6.9130 6.9130 8.7975 8.7975 9.4390 9.4390 9.8553 9.8553 11.6574 11.6574 k = 0.0000 0.0000 0.0173 ( 4883 PWs) bands (ev): -13.0922 -13.0922 -12.3649 -12.3649 -10.9928 -10.9928 -9.7819 -9.7819 -9.3938 -9.3938 -9.1991 -9.1991 -4.3514 -4.3514 -3.3494 -3.3494 -2.9668 -2.9668 -0.7761 -0.7761 -0.6931 -0.6931 -0.5647 -0.5647 0.7976 0.7976 1.4121 1.4121 1.6131 1.6131 1.8858 1.8858 2.3107 2.3107 2.3603 2.3603 3.2584 3.2584 3.6361 3.6361 4.1543 4.1543 4.1948 4.1948 4.2672 4.2672 4.2991 4.2991 6.8978 6.8978 8.7929 8.7929 9.4344 9.4344 9.8491 9.8491 11.6877 11.6877 k = 0.0000 0.0000 0.0000 ( 4885 PWs) bands (ev): -13.0928 -13.0928 -12.3647 -12.3647 -10.9932 -10.9932 -9.7823 -9.7823 -9.3938 -9.3938 -9.1963 -9.1963 -4.3561 -4.3561 -3.3462 -3.3462 -2.9631 -2.9631 -0.7773 -0.7773 -0.6963 -0.6963 -0.5693 -0.5693 0.7950 0.7950 1.4171 1.4171 1.6156 1.6156 1.8867 1.8867 2.3118 2.3118 2.3585 2.3585 3.2563 3.2563 3.6358 3.6358 4.1546 4.1546 4.1980 4.1980 4.2673 4.2673 4.2997 4.2997 6.8927 6.8927 8.7914 8.7914 9.4329 9.4329 9.8470 9.8470 11.6980 11.6980 k = 0.0000 0.0000 0.0000 ( 4885 PWs) bands (ev): -13.0928 -13.0928 -12.3647 -12.3647 -10.9932 -10.9932 -9.7823 -9.7823 -9.3938 -9.3938 -9.1963 -9.1963 -4.3561 -4.3561 -3.3462 -3.3462 -2.9631 -2.9631 -0.7773 -0.7773 -0.6963 -0.6963 -0.5693 -0.5693 0.7950 0.7950 1.4171 1.4171 1.6156 1.6156 1.8867 1.8867 2.3118 2.3118 2.3585 2.3585 3.2563 3.2563 3.6358 3.6358 4.1546 4.1546 4.1980 4.1980 4.2673 4.2673 4.2997 4.2997 6.8927 6.8927 8.7914 8.7914 9.4329 9.4329 9.8470 9.8470 11.6980 11.6980 k =-0.0147 0.0090 0.0000 ( 4891 PWs) bands (ev): -13.0921 -13.0921 -12.3648 -12.3646 -10.9947 -10.9946 -9.7824 -9.7823 -9.3945 -9.3936 -9.1967 -9.1954 -4.3562 -4.3559 -3.3456 -3.3451 -2.9619 -2.9617 -0.7754 -0.7751 -0.6971 -0.6962 -0.5708 -0.5693 0.7938 0.7940 1.4170 1.4196 1.6159 1.6172 1.8778 1.8811 2.3147 2.3156 2.3584 2.3593 3.2595 3.2599 3.6353 3.6356 4.1541 4.1542 4.1977 4.1985 4.2622 4.2637 4.2977 4.2979 6.8974 6.8980 8.7927 8.7927 9.4333 9.4363 9.8473 9.8507 11.6943 11.6944 k =-0.0294 0.0181 0.0000 ( 4895 PWs) bands (ev): -13.0898 -13.0898 -12.3649 -12.3647 -10.9990 -10.9988 -9.7826 -9.7823 -9.3957 -9.3939 -9.1965 -9.1939 -4.3564 -4.3558 -3.3433 -3.3424 -2.9580 -2.9577 -0.7695 -0.7691 -0.6987 -0.6970 -0.5736 -0.5707 0.7901 0.7906 1.4192 1.4243 1.6181 1.6208 1.8558 1.8616 2.3241 2.3242 2.3600 2.3605 3.2691 3.2699 3.6341 3.6348 4.1525 4.1527 4.1971 4.1991 4.2485 4.2519 4.2922 4.2926 6.9119 6.9129 8.7966 8.7966 9.4374 9.4432 9.8515 9.8582 11.6834 11.6836 k =-0.0441 0.0271 0.0000 ( 4905 PWs) bands (ev): -13.0862 -13.0861 -12.3651 -12.3647 -11.0060 -11.0057 -9.7829 -9.7824 -9.3972 -9.3946 -9.1958 -9.1920 -4.3566 -4.3556 -3.3394 -3.3380 -2.9516 -2.9510 -0.7602 -0.7596 -0.7006 -0.6980 -0.5779 -0.5735 0.7842 0.7850 1.4237 1.4313 1.6215 1.6263 1.8233 1.8303 2.3329 2.3382 2.3623 2.3655 3.2852 3.2863 3.6322 3.6333 4.1498 4.1501 4.1945 4.1984 4.2283 4.2344 4.2833 4.2839 6.9358 6.9373 8.8030 8.8031 9.4454 9.4538 9.8596 9.8694 11.6651 11.6652 k =-0.0588 0.0362 0.0000 ( 4913 PWs) bands (ev): -13.0810 -13.0810 -12.3653 -12.3649 -11.0158 -11.0154 -9.7833 -9.7826 -9.3992 -9.3958 -9.1946 -9.1897 -4.3567 -4.3555 -3.3339 -3.3320 -2.9425 -2.9418 -0.7484 -0.7480 -0.7015 -0.6983 -0.5835 -0.5776 0.7762 0.7773 1.4305 1.4403 1.6253 1.6333 1.7840 1.7901 2.3377 2.3527 2.3660 2.3769 3.3073 3.3087 3.6295 3.6311 4.1455 4.1461 4.1821 4.1859 4.2130 4.2198 4.2712 4.2719 6.9685 6.9704 8.8118 8.8120 9.4572 9.4680 9.8714 9.8842 11.6390 11.6391 k =-0.0735 0.0452 0.0000 ( 4921 PWs) bands (ev): -13.0744 -13.0743 -12.3656 -12.3651 -11.0283 -11.0278 -9.7837 -9.7829 -9.4013 -9.3973 -9.1930 -9.1871 -4.3568 -4.3553 -3.3267 -3.3245 -2.9309 -2.9300 -0.7381 -0.7376 -0.6975 -0.6946 -0.5902 -0.5830 0.7662 0.7677 1.4394 1.4511 1.6265 1.6410 1.7429 1.7442 2.3385 2.3591 2.3781 2.3921 3.3349 3.3365 3.6261 3.6281 4.1370 4.1386 4.1549 4.1554 4.2122 4.2160 4.2564 4.2573 7.0091 7.0114 8.8226 8.8232 9.4731 9.4858 9.8869 9.9023 11.6045 11.6049 k =-0.0882 0.0543 0.0000 ( 4931 PWs) bands (ev): -13.0663 -13.0663 -12.3659 -12.3653 -11.0434 -11.0428 -9.7842 -9.7833 -9.4037 -9.3990 -9.1912 -9.1842 -4.3568 -4.3550 -3.3181 -3.3155 -2.9168 -2.9157 -0.7355 -0.7329 -0.6831 -0.6817 -0.5981 -0.5894 0.7544 0.7564 1.4502 1.4635 1.6161 1.6436 1.6999 1.7106 2.3369 2.3599 2.3950 2.4084 3.3673 3.3691 3.6217 3.6243 4.1066 4.1071 4.1375 4.1387 4.2153 4.2174 4.2396 4.2406 7.0568 7.0594 8.8354 8.8363 9.4931 9.5073 9.9056 9.9234 11.5616 11.5623 k =-0.1029 0.0633 0.0000 ( 4923 PWs) bands (ev): -13.0568 -13.0568 -12.3663 -12.3656 -11.0609 -11.0603 -9.7848 -9.7838 -9.4061 -9.4009 -9.1891 -9.1813 -4.3567 -4.3547 -3.3080 -3.3050 -2.9003 -2.8991 -0.7392 -0.7349 -0.6597 -0.6593 -0.6067 -0.5967 0.7410 0.7436 1.4627 1.4766 1.5828 1.6149 1.6847 1.7000 2.3335 2.3586 2.4117 2.4243 3.4038 3.4058 3.6163 3.6196 4.0605 4.0612 4.1279 4.1289 4.2182 4.2187 4.2226 4.2253 7.1107 7.1136 8.8498 8.8513 9.5171 9.5323 9.9274 9.9473 11.5101 11.5112 k =-0.1176 0.0724 0.0000 ( 4923 PWs) bands (ev): -13.0458 -13.0458 -12.3667 -12.3659 -11.0809 -11.0802 -9.7855 -9.7844 -9.4086 -9.4028 -9.1869 -9.1783 -4.3564 -4.3542 -3.2966 -3.2933 -2.8816 -2.8801 -0.7458 -0.7404 -0.6324 -0.6319 -0.6141 -0.6033 0.7262 0.7294 1.4768 1.4863 1.5369 1.5599 1.6942 1.7056 2.3282 2.3556 2.4275 2.4392 3.4436 3.4457 3.6096 3.6137 4.0099 4.0110 4.1160 4.1172 4.2033 4.2035 4.2253 4.2270 7.1698 7.1729 8.8656 8.8677 9.5453 9.5609 9.9520 9.9736 11.4504 11.4518 k =-0.1324 0.0814 0.0000 ( 4921 PWs) bands (ev): -13.0335 -13.0335 -12.3672 -12.3663 -11.1031 -11.1023 -9.7863 -9.7851 -9.4109 -9.4047 -9.1848 -9.1755 -4.3559 -4.3535 -3.2839 -3.2804 -2.8606 -2.8589 -0.7541 -0.7476 -0.6298 -0.6197 -0.5929 -0.5908 0.7104 0.7142 1.4594 1.4917 1.4988 1.5212 1.7094 1.7180 2.3210 2.3507 2.4422 2.4529 3.4857 3.4878 3.6011 3.6062 3.9575 3.9586 4.1004 4.1019 4.1871 4.1875 4.2313 4.2325 7.2333 7.2366 8.8825 8.8854 9.5774 9.5931 9.9790 10.0020 11.3831 11.3846 k =-0.1471 0.0905 0.0000 ( 4911 PWs) bands (ev): -13.0198 -13.0198 -12.3676 -12.3667 -11.1275 -11.1266 -9.7872 -9.7860 -9.4130 -9.4065 -9.1827 -9.1728 -4.3552 -4.3526 -3.2701 -3.2663 -2.8375 -2.8356 -0.7633 -0.7560 -0.6402 -0.6276 -0.5555 -0.5549 0.6937 0.6981 1.4003 1.4340 1.5088 1.5350 1.7268 1.7338 2.3115 2.3434 2.4558 2.4656 3.5289 3.5311 3.5902 3.5967 3.9052 3.9058 4.0805 4.0822 4.1738 4.1744 4.2382 4.2390 7.3003 7.3037 8.9002 8.9040 9.6135 9.6287 10.0082 10.0322 11.3093 11.3107 k =-0.1618 0.0995 0.0000 ( 4905 PWs) bands (ev): -13.0048 -13.0048 -12.3682 -12.3671 -11.1538 -11.1530 -9.7883 -9.7869 -9.4149 -9.4081 -9.1809 -9.1704 -4.3542 -4.3514 -3.2553 -3.2513 -2.8124 -2.8104 -0.7731 -0.7651 -0.6516 -0.6377 -0.5140 -0.5137 0.6763 0.6814 1.3357 1.3679 1.5262 1.5528 1.7457 1.7516 2.2994 2.3335 2.4685 2.4775 3.5722 3.5730 3.5758 3.5854 3.8546 3.8550 4.0568 4.0586 4.1639 4.1647 4.2457 4.2463 7.3701 7.3737 8.9185 8.9233 9.6534 9.6675 10.0393 10.0639 11.2301 11.2311 k =-0.1765 0.1086 0.0000 ( 4897 PWs) bands (ev): -12.9885 -12.9885 -12.3687 -12.3676 -11.1821 -11.1812 -9.7894 -9.7880 -9.4165 -9.4094 -9.1793 -9.1684 -4.3529 -4.3500 -3.2396 -3.2355 -2.7856 -2.7833 -0.7834 -0.7747 -0.6634 -0.6483 -0.4693 -0.4691 0.6586 0.6643 1.2691 1.3008 1.5442 1.5718 1.7656 1.7708 2.2845 2.3207 2.4807 2.4888 3.5563 3.5656 3.6140 3.6173 3.8076 3.8093 4.0305 4.0323 4.1575 4.1585 4.2539 4.2543 7.4420 7.4456 8.9372 8.9430 9.6966 9.7092 10.0720 10.0969 11.1467 11.1472 k =-0.1912 0.1176 0.0000 ( 4911 PWs) bands (ev): -12.9710 -12.9710 -12.3693 -12.3681 -11.2120 -11.2111 -9.7907 -9.7892 -9.4177 -9.4104 -9.1780 -9.1667 -4.3512 -4.3483 -3.2231 -3.2189 -2.7571 -2.7546 -0.7939 -0.7846 -0.6753 -0.6592 -0.4218 -0.4215 0.6407 0.6469 1.2014 1.2329 1.5625 1.5914 1.7861 1.7908 2.2665 2.3048 2.4926 2.4999 3.5305 3.5417 3.6524 3.6557 3.7673 3.7705 4.0031 4.0048 4.1548 4.1558 4.2627 4.2629 7.5153 7.5191 8.9560 8.9629 9.7429 9.7537 10.1062 10.1310 11.0603 11.0604 k =-0.2059 0.1267 0.0000 ( 4917 PWs) bands (ev): -12.9522 -12.9522 -12.3699 -12.3687 -11.2434 -11.2425 -9.7920 -9.7905 -9.4185 -9.4110 -9.1772 -9.1656 -4.3493 -4.3462 -3.2060 -3.2017 -2.7272 -2.7245 -0.8045 -0.7946 -0.6871 -0.6701 -0.3719 -0.3714 0.6228 0.6295 1.1331 1.1646 1.5809 1.6112 1.8070 1.8112 2.2454 2.2857 2.5045 2.5111 3.4973 3.5101 3.6849 3.6886 3.7357 3.7401 3.9763 3.9777 4.1563 4.1572 4.2720 4.2721 7.5897 7.5934 8.9748 8.9827 9.7919 9.8003 10.1418 10.1661 10.9715 10.9723 k =-0.2206 0.1357 0.0000 ( 4907 PWs) bands (ev): -12.9323 -12.9323 -12.3705 -12.3693 -11.2763 -11.2753 -9.7934 -9.7920 -9.4189 -9.4112 -9.1767 -9.1649 -4.3470 -4.3439 -3.1885 -3.1841 -2.6959 -2.6931 -0.8151 -0.8047 -0.6986 -0.6807 -0.3200 -0.3193 0.6053 0.6123 1.0647 1.0962 1.5991 1.6308 1.8280 1.8318 2.2213 2.2636 2.5167 2.5227 3.4575 3.4713 3.7063 3.7079 3.7181 3.7207 3.9518 3.9529 4.1628 4.1637 4.2818 4.2818 7.6645 7.6683 8.9934 9.0024 9.8428 9.8485 10.1789 10.2023 10.8819 10.8834 k =-0.2353 0.1448 0.0000 ( 4903 PWs) bands (ev): -12.9113 -12.9113 -12.3711 -12.3699 -11.3103 -11.3094 -9.7949 -9.7935 -9.4187 -9.4109 -9.1768 -9.1647 -4.3444 -4.3412 -3.1706 -3.1663 -2.6637 -2.6606 -0.8255 -0.8147 -0.7096 -0.6909 -0.2665 -0.2654 0.5883 0.5955 0.9965 1.0280 1.6166 1.6499 1.8487 1.8522 2.1944 2.2386 2.5294 2.5349 3.4129 3.4270 3.6951 3.6990 3.7255 3.7286 3.9313 3.9320 4.1754 4.1762 4.2919 4.2920 7.7393 7.7431 9.0116 9.0217 9.8949 9.8976 10.2176 10.2397 10.7925 10.7945 k =-0.2500 0.1538 0.0000 ( 4903 PWs) bands (ev): -12.8893 -12.8892 -12.3717 -12.3705 -11.3453 -11.3444 -9.7965 -9.7950 -9.4181 -9.4102 -9.1773 -9.1651 -4.3414 -4.3383 -3.1525 -3.1483 -2.6306 -2.6274 -0.8355 -0.8245 -0.7199 -0.7005 -0.2120 -0.2104 0.5721 0.5794 0.9287 0.9603 1.6331 1.6679 1.8689 1.8720 2.1653 2.2112 2.5430 2.5480 3.3655 3.3795 3.6844 3.6885 3.7259 3.7294 3.9156 3.9160 4.1947 4.1952 4.3023 4.3025 7.8137 7.8176 9.0295 9.0404 9.9466 9.9473 10.2584 10.2787 10.7039 10.7065 k =-0.2647 0.1629 0.0000 ( 4899 PWs) bands (ev): -12.8663 -12.8663 -12.3723 -12.3711 -11.3811 -11.3802 -9.7981 -9.7967 -9.4170 -9.4090 -9.1783 -9.1661 -4.3382 -4.3350 -3.1344 -3.1303 -2.5970 -2.5936 -0.8450 -0.8339 -0.7294 -0.7093 -0.1568 -0.1547 0.5571 0.5643 0.8617 0.8933 1.6480 1.6844 1.8883 1.8911 2.1346 2.1821 2.5575 2.5621 3.3167 3.3306 3.6772 3.6810 3.7153 3.7189 3.9038 3.9041 4.2203 4.2206 4.3130 4.3133 7.8875 7.8913 9.0468 9.0584 9.9944 9.9987 10.3019 10.3201 10.6171 10.6200 k =-0.2794 0.1719 0.0000 ( 4895 PWs) bands (ev): -12.8425 -12.8425 -12.3729 -12.3717 -11.4176 -11.4167 -9.7997 -9.7984 -9.4154 -9.4074 -9.1799 -9.1676 -4.3346 -4.3316 -3.1165 -3.1125 -2.5630 -2.5595 -0.8541 -0.8429 -0.7379 -0.7172 -0.1018 -0.0989 0.5436 0.5504 0.7958 0.8273 1.6606 1.6984 1.9067 1.9091 2.1035 2.1522 2.5732 2.5774 3.2676 3.2813 3.6722 3.6758 3.6966 3.7002 3.8938 3.8940 4.2513 4.2514 4.3238 4.3242 7.9601 7.9639 9.0634 9.0757 10.0399 10.0477 10.3487 10.3644 10.5328 10.5358 k =-0.2941 0.1809 0.0000 ( 4897 PWs) bands (ev): -12.8180 -12.8180 -12.3735 -12.3724 -11.4544 -11.4536 -9.8014 -9.8001 -9.4134 -9.4053 -9.1819 -9.1697 -4.3309 -4.3279 -3.0988 -3.0950 -2.5291 -2.5255 -0.8624 -0.8514 -0.7452 -0.7240 -0.0477 -0.0439 0.5320 0.5382 0.7313 0.7626 1.6702 1.7090 1.9238 1.9259 2.0736 2.1229 2.5900 2.5940 3.2190 3.2323 3.6673 3.6694 3.6759 3.6782 3.8838 3.8840 4.2860 4.2862 4.3348 4.3352 8.0313 8.0351 9.0793 9.0920 10.0819 10.0931 10.3977 10.4086 10.4554 10.4559 k =-0.3088 0.1900 0.0000 ( 4893 PWs) bands (ev): -12.7929 -12.7928 -12.3741 -12.3730 -11.4914 -11.4906 -9.8030 -9.8018 -9.4108 -9.4027 -9.1843 -9.1723 -4.3270 -4.3241 -3.0816 -3.0780 -2.4954 -2.4917 -0.8701 -0.8593 -0.7513 -0.7296 0.0047 0.0096 0.5229 0.5282 0.6685 0.6995 1.6759 1.7147 1.9396 1.9413 2.0466 2.0955 2.6081 2.6117 3.1711 3.1840 3.6455 3.6476 3.6699 3.6716 3.8728 3.8730 4.3228 4.3232 4.3458 4.3463 8.1008 8.1046 9.0945 9.1074 10.1196 10.1336 10.3671 10.3715 10.4590 10.4719 k =-0.3235 0.1990 0.0000 ( 4897 PWs) bands (ev): -12.7673 -12.7673 -12.3747 -12.3736 -11.5283 -11.5276 -9.8046 -9.8035 -9.4079 -9.3998 -9.1872 -9.1753 -4.3229 -4.3201 -3.0650 -3.0617 -2.4624 -2.4586 -0.8770 -0.8666 -0.7560 -0.7340 0.0542 0.0604 0.5168 0.5210 0.6077 0.6383 1.6767 1.7141 1.9539 1.9551 2.0248 2.0716 2.6272 2.6306 3.1242 3.1367 3.6183 3.6206 3.6688 3.6706 3.8607 3.8609 4.3543 4.3544 4.3633 4.3633 8.1682 8.1719 9.1088 9.1218 10.1526 10.1686 10.2929 10.2970 10.5185 10.5300 k =-0.3382 0.2081 0.0000 ( 4889 PWs) bands (ev): -12.7415 -12.7415 -12.3752 -12.3742 -11.5649 -11.5642 -9.8062 -9.8051 -9.4045 -9.3966 -9.1904 -9.1789 -4.3188 -4.3162 -3.0492 -3.0461 -2.4302 -2.4265 -0.8830 -0.8732 -0.7592 -0.7372 0.0996 0.1072 0.5142 0.5175 0.5494 0.5798 1.6719 1.7061 1.9666 1.9671 2.0099 2.0525 2.6473 2.6505 3.0786 3.0907 3.5911 3.5933 3.6688 3.6705 3.8477 3.8478 4.3658 4.3661 4.3997 4.4002 8.2332 8.2369 9.1222 9.1351 10.1809 10.1976 10.2220 10.2253 10.5834 10.5943 k =-0.3529 0.2171 0.0000 ( 4889 PWs) bands (ev): -12.7157 -12.7157 -12.3757 -12.3748 -11.6009 -11.6002 -9.8077 -9.8067 -9.4009 -9.3931 -9.1939 -9.1827 -4.3147 -4.3122 -3.0343 -3.0314 -2.3993 -2.3957 -0.8883 -0.8791 -0.7610 -0.7391 0.1396 0.1487 0.4938 0.5099 0.5186 0.5304 1.6612 1.6907 1.9774 1.9778 2.0028 2.0391 2.6680 2.6711 3.0345 3.0460 3.5646 3.5666 3.6695 3.6709 3.8339 3.8341 4.3758 4.3761 4.4364 4.4370 8.2954 8.2990 9.1346 9.1472 10.1535 10.1575 10.2049 10.2229 10.6523 10.6634 k =-0.3676 0.2262 0.0000 ( 4899 PWs) bands (ev): -12.6902 -12.6901 -12.3762 -12.3753 -11.6358 -11.6352 -9.8091 -9.8082 -9.3970 -9.3894 -9.1976 -9.1869 -4.3107 -4.3084 -3.0204 -3.0178 -2.3701 -2.3665 -0.8928 -0.8843 -0.7614 -0.7398 0.1730 0.1832 0.4417 0.4661 0.5252 0.5290 1.6451 1.6691 1.9857 1.9876 2.0026 2.0315 2.6891 2.6920 2.9921 3.0030 3.5392 3.5411 3.6706 3.6717 3.8199 3.8201 4.3852 4.3855 4.4714 4.4721 8.3545 8.3579 9.1461 9.1582 10.0905 10.0940 10.2249 10.2425 10.7246 10.7363 k =-0.3824 0.2352 0.0000 ( 4897 PWs) bands (ev): -12.6652 -12.6651 -12.3766 -12.3758 -11.6694 -11.6688 -9.8105 -9.8096 -9.3928 -9.3856 -9.2014 -9.1913 -4.3069 -4.3048 -3.0076 -3.0053 -2.3427 -2.3394 -0.8965 -0.8888 -0.7604 -0.7395 0.1992 0.2099 0.3933 0.4165 0.5376 0.5421 1.6250 1.6436 1.9931 1.9958 2.0071 2.0291 2.7102 2.7128 2.9518 2.9619 3.5154 3.5171 3.6719 3.6729 3.8059 3.8061 4.3939 4.3942 4.5041 4.5048 8.4099 8.4132 9.1566 9.1679 10.0323 10.0354 10.2416 10.2583 10.7994 10.8124 k =-0.3971 0.2443 0.0000 ( 4897 PWs) bands (ev): -12.6411 -12.6411 -12.3770 -12.3763 -11.7011 -11.7006 -9.8116 -9.8109 -9.3887 -9.3818 -9.2052 -9.1958 -4.3033 -4.3014 -2.9961 -2.9940 -2.3176 -2.3145 -0.8994 -0.8927 -0.7582 -0.7384 0.2184 0.2286 0.3495 0.3702 0.5552 0.5604 1.6024 1.6164 2.0003 2.0027 2.0139 2.0307 2.7307 2.7331 2.9140 2.9233 3.4934 3.4950 3.6734 3.6741 3.7924 3.7926 4.4018 4.4021 4.5340 4.5347 8.4612 8.4643 9.1661 9.1765 9.9791 9.9818 10.2552 10.2706 10.8758 10.8908 k =-0.4118 0.2533 0.0000 ( 4897 PWs) bands (ev): -12.6185 -12.6184 -12.3773 -12.3767 -11.7305 -11.7301 -9.8127 -9.8121 -9.3845 -9.3782 -9.2088 -9.2003 -4.2999 -4.2983 -2.9859 -2.9841 -2.2951 -2.2923 -0.9018 -0.8959 -0.7549 -0.7368 0.2318 0.2396 0.3112 0.3280 0.5765 0.5819 1.5792 1.5893 2.0069 2.0085 2.0220 2.0351 2.7501 2.7523 2.8793 2.8877 3.4737 3.4750 3.6748 3.6754 3.7798 3.7799 4.4088 4.4091 4.5606 4.5613 8.5078 8.5106 9.1745 9.1838 9.9316 9.9338 10.2663 10.2801 10.9526 10.9707 k =-0.4265 0.2624 0.0000 ( 4905 PWs) bands (ev): -12.5977 -12.5977 -12.3776 -12.3771 -11.7571 -11.7567 -9.8136 -9.8131 -9.3805 -9.3748 -9.2121 -9.2046 -4.2970 -4.2956 -2.9771 -2.9757 -2.2754 -2.2730 -0.9035 -0.8986 -0.7510 -0.7348 0.2406 0.2425 0.2812 0.2905 0.5993 0.6044 1.5568 1.5639 2.0123 2.0131 2.0309 2.0410 2.7679 2.7697 2.8484 2.8556 3.4563 3.4575 3.6762 3.6766 3.7683 3.7685 4.4150 4.4152 4.5837 4.5843 8.5490 8.5515 9.1818 9.1898 9.8900 9.8918 10.2753 10.2871 11.0244 11.0517 k =-0.4412 0.2714 0.0000 ( 4905 PWs) bands (ev): -12.5795 -12.5795 -12.3778 -12.3774 -11.7801 -11.7797 -9.8144 -9.8139 -9.3768 -9.3720 -9.2149 -9.2086 -4.2944 -4.2933 -2.9699 -2.9687 -2.2589 -2.2569 -0.9046 -0.9007 -0.7467 -0.7330 0.2327 0.2463 0.2584 0.2659 0.6213 0.6257 1.5366 1.5415 2.0165 2.0168 2.0399 2.0473 2.7832 2.7845 2.8223 2.8282 3.4415 3.4425 3.6774 3.6777 3.7583 3.7585 4.4201 4.4203 4.6030 4.6035 8.5843 8.5863 9.1880 9.1946 9.8549 9.8563 10.2824 10.2921 11.0557 11.0679 k =-0.4559 0.2805 0.0000 ( 4909 PWs) bands (ev): -12.5645 -12.5644 -12.3780 -12.3777 -11.7989 -11.7986 -9.8150 -9.8146 -9.3735 -9.3697 -9.2171 -9.2122 -4.2924 -4.2915 -2.9641 -2.9632 -2.2457 -2.2442 -0.9054 -0.9024 -0.7423 -0.7315 0.2156 0.2321 0.2501 0.2619 0.6406 0.6441 1.5197 1.5229 2.0195 2.0196 2.0480 2.0532 2.7917 2.7929 2.8062 2.8086 3.4298 3.4305 3.6784 3.6786 3.7502 3.7504 4.4242 4.4243 4.6182 4.6186 8.6127 8.6143 9.1930 9.1981 9.8269 9.8279 10.2879 10.2953 11.0467 11.0502 k =-0.4706 0.2895 0.0000 ( 4922 PWs) bands (ev): -12.5531 -12.5531 -12.3781 -12.3779 -11.8129 -11.8127 -9.8154 -9.8152 -9.3708 -9.3682 -9.2185 -9.2151 -4.2908 -4.2902 -2.9599 -2.9593 -2.2361 -2.2350 -0.9057 -0.9037 -0.7383 -0.7309 0.2016 0.2122 0.2528 0.2600 0.6556 0.6581 1.5071 1.5090 2.0215 2.0215 2.0546 2.0579 2.7814 2.7844 2.8095 2.8101 3.4212 3.4217 3.6791 3.6793 3.7443 3.7443 4.4271 4.4272 4.6293 4.6295 8.6337 8.6349 9.1969 9.2003 9.8064 9.8071 10.2921 10.2971 11.0359 11.0373 k =-0.4853 0.2986 0.0000 ( 4922 PWs) bands (ev): -12.5461 -12.5461 -12.3781 -12.3780 -11.8215 -11.8215 -9.8156 -9.8155 -9.3688 -9.3675 -9.2191 -9.2173 -4.2898 -4.2895 -2.9573 -2.9571 -2.2302 -2.2296 -0.9057 -0.9047 -0.7349 -0.7311 0.1938 0.1990 0.2548 0.2584 0.6654 0.6666 1.4994 1.5003 2.0227 2.0227 2.0591 2.0607 2.7726 2.7743 2.8148 2.8152 3.4160 3.4162 3.6796 3.6797 3.7406 3.7406 4.4289 4.4289 4.6359 4.6361 8.6467 8.6473 9.1996 9.2013 9.7940 9.7943 10.2950 10.2976 11.0289 11.0294 k =-0.5000 0.3076 0.0000 ( 4924 PWs) bands (ev): -12.5437 -12.5437 -12.3781 -12.3781 -11.8244 -11.8244 -9.8156 -9.8156 -9.3677 -9.3677 -9.2187 -9.2187 -4.2894 -4.2894 -2.9564 -2.9564 -2.2280 -2.2280 -0.9053 -0.9053 -0.7325 -0.7325 0.1928 0.1928 0.2567 0.2567 0.6691 0.6691 1.4970 1.4970 2.0230 2.0230 2.0611 2.0611 2.7701 2.7701 2.8169 2.8169 3.4143 3.4143 3.6798 3.6798 3.7394 3.7394 4.4295 4.4295 4.6382 4.6382 8.6513 8.6513 9.2011 9.2011 9.7899 9.7899 10.2969 10.2969 11.0267 11.0267 k =-0.5000 0.3076 0.0000 ( 4924 PWs) bands (ev): -12.5437 -12.5437 -12.3781 -12.3781 -11.8244 -11.8244 -9.8156 -9.8156 -9.3677 -9.3677 -9.2187 -9.2187 -4.2894 -4.2894 -2.9564 -2.9564 -2.2280 -2.2280 -0.9053 -0.9053 -0.7325 -0.7325 0.1928 0.1928 0.2567 0.2567 0.6691 0.6691 1.4970 1.4970 2.0230 2.0230 2.0611 2.0611 2.7701 2.7701 2.8169 2.8169 3.4143 3.4143 3.6798 3.6798 3.7394 3.7394 4.4295 4.4295 4.6382 4.6382 8.6513 8.6513 9.2011 9.2011 9.7899 9.7899 10.2969 10.2969 11.0267 11.0267 k =-0.4914 0.3216-0.0000 ( 4924 PWs) bands (ev): -12.5438 -12.5437 -12.3783 -12.3783 -11.8236 -11.8235 -9.8207 -9.8176 -9.3672 -9.3630 -9.2187 -9.2178 -4.2890 -4.2888 -2.9607 -2.9605 -2.2225 -2.2210 -0.9232 -0.8978 -0.7387 -0.7145 0.1593 0.1740 0.2722 0.2789 0.6718 0.6763 1.4979 1.4985 2.0234 2.0242 2.0592 2.0601 2.7683 2.7693 2.8152 2.8172 3.4139 3.4141 3.6735 3.6765 3.7454 3.7473 4.4281 4.4285 4.6378 4.6382 8.6528 8.6528 9.1995 9.2007 9.7891 9.7894 10.2966 10.2969 11.0245 11.0247 k =-0.4827 0.3357-0.0000 ( 4924 PWs) bands (ev): -12.5441 -12.5440 -12.3791 -12.3790 -11.8211 -11.8209 -9.8323 -9.8264 -9.3616 -9.3535 -9.2180 -9.2161 -4.2878 -4.2874 -2.9729 -2.9727 -2.2051 -2.2022 -0.9468 -0.9034 -0.7304 -0.6894 0.1078 0.1274 0.3006 0.3043 0.6844 0.6934 1.5011 1.5024 2.0252 2.0268 2.0544 2.0563 2.7639 2.7660 2.8120 2.8161 3.4129 3.4134 3.6625 3.6670 3.7621 3.7646 4.4242 4.4250 4.6369 4.6377 8.6572 8.6573 9.1959 9.1983 9.7869 9.7874 10.2961 10.2967 11.0184 11.0186 k =-0.4741 0.3497-0.0000 ( 4916 PWs) bands (ev): -12.5445 -12.5444 -12.3802 -12.3802 -11.8169 -11.8165 -9.8497 -9.8414 -9.3516 -9.3401 -9.2164 -9.2136 -4.2857 -4.2850 -2.9920 -2.9919 -2.1769 -2.1725 -0.9728 -0.9191 -0.7106 -0.6604 0.0506 0.0732 0.3214 0.3219 0.7070 0.7197 1.5067 1.5086 2.0285 2.0307 2.0467 2.0497 2.7570 2.7601 2.8074 2.8135 3.4114 3.4121 3.6510 3.6567 3.7840 3.7866 4.4181 4.4193 4.6354 4.6365 8.6646 8.6648 9.1904 9.1939 9.7833 9.7840 10.2955 10.2964 11.0082 11.0085 k =-0.4655 0.3637-0.0000 ( 4924 PWs) bands (ev): -12.5452 -12.5450 -12.3818 -12.3818 -11.8109 -11.8104 -9.8718 -9.8618 -9.3380 -9.3236 -9.2141 -9.2104 -4.2827 -4.2818 -3.0166 -3.0165 -2.1392 -2.1337 -0.9995 -0.9401 -0.6838 -0.6292 -0.0097 0.0152 0.3286 0.3330 0.7386 0.7543 1.5146 1.5171 2.0321 2.0341 2.0374 2.0423 2.7479 2.7520 2.8014 2.8095 3.4090 3.4101 3.6410 3.6474 3.8091 3.8115 4.4098 4.4114 4.6332 4.6346 8.6749 8.6752 9.1829 9.1876 9.7783 9.7792 10.2950 10.2963 10.9943 10.9944 k =-0.4568 0.3778-0.0000 ( 4924 PWs) bands (ev): -12.5461 -12.5458 -12.3838 -12.3838 -11.8032 -11.8026 -9.8978 -9.8865 -9.3219 -9.3050 -9.2109 -9.2063 -4.2788 -4.2777 -3.0453 -3.0451 -2.0938 -2.0871 -1.0259 -0.9632 -0.6534 -0.5966 -0.0720 -0.0449 0.3266 0.3341 0.7774 0.7951 1.5247 1.5279 2.0223 2.0258 2.0402 2.0453 2.7368 2.7418 2.7939 2.8039 3.4059 3.4073 3.6328 3.6400 3.8363 3.8384 4.3997 4.4018 4.6301 4.6318 8.6883 8.6886 9.1735 9.1793 9.7718 9.7729 10.2950 10.2966 10.9767 10.9768 k =-0.4482 0.3918-0.0000 ( 4924 PWs) bands (ev): -12.5473 -12.5470 -12.3862 -12.3861 -11.7938 -11.7931 -9.9268 -9.9146 -9.3040 -9.2852 -9.2070 -9.2015 -4.2741 -4.2728 -3.0770 -3.0765 -2.0420 -2.0341 -1.0512 -0.9867 -0.6208 -0.5633 -0.1352 -0.1064 0.3166 0.3266 0.8213 0.8401 1.5371 1.5410 2.0067 2.0112 2.0477 2.0534 2.7240 2.7298 2.7850 2.7968 3.4020 3.4037 3.6268 3.6347 3.8651 3.8671 4.3880 4.3906 4.6260 4.6279 8.7046 8.7050 9.1622 9.1690 9.7639 9.7652 10.2956 10.2976 10.9554 10.9558 k =-0.4396 0.4058-0.0000 ( 4922 PWs) bands (ev): -12.5488 -12.5484 -12.3889 -12.3888 -11.7828 -11.7819 -9.9581 -9.9453 -9.2852 -9.2649 -9.2023 -9.1959 -4.2686 -4.2671 -3.1106 -3.1098 -1.9850 -1.9760 -1.0751 -1.0095 -0.5871 -0.5296 -0.1990 -0.1686 0.2998 0.3119 0.8680 0.8875 1.5518 1.5563 1.9887 1.9939 2.0566 2.0630 2.7098 2.7164 2.7745 2.7881 3.3972 3.3991 3.6230 3.6314 3.8951 3.8969 4.3750 4.3780 4.6207 4.6227 8.7239 8.7244 9.1491 9.1569 9.7545 9.7559 10.2974 10.2998 10.9309 10.9318 k =-0.4309 0.4199-0.0000 ( 4920 PWs) bands (ev): -12.5508 -12.5503 -12.3918 -12.3917 -11.7700 -11.7689 -9.9910 -9.9779 -9.2661 -9.2444 -9.1969 -9.1896 -4.2623 -4.2606 -3.1453 -3.1441 -1.9238 -1.9136 -1.0971 -1.0308 -0.5525 -0.4956 -0.2627 -0.2310 0.2773 0.2910 0.9160 0.9359 1.5685 1.5737 1.9687 1.9743 2.0667 2.0740 2.6947 2.7020 2.7625 2.7777 3.3916 3.3937 3.6212 3.6301 3.9261 3.9278 4.3610 4.3644 4.6142 4.6163 8.7462 8.7467 9.1342 9.1429 9.7435 9.7452 10.3007 10.3035 10.9034 10.9048 k =-0.4223 0.4339-0.0000 ( 4908 PWs) bands (ev): -12.5531 -12.5526 -12.3949 -12.3948 -11.7555 -11.7543 -10.0252 -10.0120 -9.2471 -9.2244 -9.1908 -9.1826 -4.2552 -4.2533 -3.1806 -3.1791 -1.8592 -1.8478 -1.1168 -1.0503 -0.5176 -0.4620 -0.3257 -0.2931 0.2497 0.2648 0.9638 0.9839 1.5874 1.5933 1.9469 1.9528 2.0779 2.0861 2.6789 2.6868 2.7488 2.7655 3.3853 3.3875 3.6212 3.6305 3.9578 3.9593 4.3461 4.3500 4.6063 4.6084 8.7715 8.7721 9.1175 9.1270 9.7310 9.7328 10.3058 10.3090 10.8731 10.8751 k =-0.4137 0.4479-0.0000 ( 4914 PWs) bands (ev): -12.5561 -12.5555 -12.3981 -12.3979 -11.7394 -11.7380 -10.0603 -10.0471 -9.2287 -9.2050 -9.1840 -9.1749 -4.2474 -4.2453 -3.2163 -3.2144 -1.7922 -1.7795 -1.1336 -1.0674 -0.4826 -0.4327 -0.3836 -0.3544 0.2176 0.2339 1.0102 1.0306 1.6082 1.6148 1.9239 1.9299 2.0901 2.0992 2.6628 2.6713 2.7335 2.7516 3.3783 3.3806 3.6229 3.6324 3.9899 3.9913 4.3306 4.3349 4.5970 4.5991 8.7997 8.8003 9.0991 9.1094 9.7169 9.7189 10.3131 10.3168 10.8405 10.8431 k =-0.4050 0.4619-0.0000 ( 4910 PWs) bands (ev): -12.5596 -12.5590 -12.4012 -12.4011 -11.7216 -11.7201 -10.0960 -10.0828 -9.2110 -9.1865 -9.1766 -9.1665 -4.2388 -4.2367 -3.2519 -3.2496 -1.7235 -1.7092 -1.1471 -1.0815 -0.4591 -0.4511 -0.4112 -0.3850 0.1815 0.1988 1.0542 1.0749 1.6308 1.6382 1.9003 1.9060 2.1032 2.1131 2.6468 2.6558 2.7164 2.7357 3.3709 3.3731 3.6258 3.6355 4.0221 4.0234 4.3148 4.3195 4.5864 4.5884 8.8308 8.8315 9.0791 9.0900 9.7013 9.7034 10.3231 10.3272 10.8056 10.8088 k =-0.3964 0.4760-0.0000 ( 4902 PWs) bands (ev): -12.5639 -12.5633 -12.4043 -12.4041 -11.7021 -11.7005 -10.1320 -10.1190 -9.1943 -9.1693 -9.1684 -9.1574 -4.2297 -4.2273 -3.2874 -3.2848 -1.6542 -1.6380 -1.1563 -1.0919 -0.5182 -0.4807 -0.4056 -0.3524 0.1416 0.1599 1.0947 1.1160 1.6551 1.6634 1.8769 1.8818 2.1170 2.1278 2.6313 2.6406 2.6975 2.7179 3.3631 3.3652 3.6298 3.6396 4.0542 4.0555 4.2988 4.3038 4.5745 4.5764 8.8647 8.8654 9.0575 9.0690 9.6842 9.6863 10.3358 10.3404 10.7689 10.7727 k =-0.3878 0.4900-0.0000 ( 4898 PWs) bands (ev): -12.5690 -12.5683 -12.4072 -12.4070 -11.6810 -11.6792 -10.1681 -10.1554 -9.1788 -9.1597 -9.1538 -9.1473 -4.2199 -4.2174 -3.3226 -3.3197 -1.5858 -1.5669 -1.1601 -1.0978 -0.5782 -0.5383 -0.3705 -0.3176 0.0981 0.1173 1.1304 1.1527 1.6808 1.6902 1.8547 1.8583 2.1314 2.1429 2.6165 2.6260 2.6768 2.6982 3.3550 3.3570 3.6346 3.6444 4.0859 4.0872 4.2828 4.2881 4.5615 4.5632 8.9014 8.9021 9.0343 9.0464 9.6655 9.6676 10.3517 10.3567 10.7306 10.7350 k =-0.3792 0.5040-0.0000 ( 4904 PWs) bands (ev): -12.5750 -12.5742 -12.4098 -12.4096 -11.6583 -11.6563 -10.2042 -10.1917 -9.1647 -9.1503 -9.1411 -9.1353 -4.2096 -4.2070 -3.3576 -3.3543 -1.5203 -1.4977 -1.1566 -1.0976 -0.6372 -0.5959 -0.3338 -0.2821 0.0515 0.0714 1.1602 1.1837 1.7074 1.7183 1.8352 1.8366 2.1461 2.1584 2.6028 2.6125 2.6543 2.6764 3.3468 3.3487 3.6400 3.6498 4.1171 4.1183 4.2670 4.2724 4.5475 4.5490 8.9406 8.9415 9.0096 9.0221 9.6453 9.6475 10.3709 10.3762 10.6910 10.6960 k =-0.3705 0.5181-0.0000 ( 4896 PWs) bands (ev): -12.5818 -12.5811 -12.4121 -12.4119 -11.6340 -11.6319 -10.2400 -10.2279 -9.1518 -9.1405 -9.1300 -9.1225 -4.1988 -4.1961 -3.3922 -3.3886 -1.4609 -1.4328 -1.1427 -1.0889 -0.6948 -0.6521 -0.2963 -0.2461 0.0017 0.0224 1.1825 1.2077 1.7337 1.7471 1.8185 1.8207 2.1611 2.1740 2.5905 2.6002 2.6299 2.6527 3.3386 3.3402 3.6458 3.6555 4.1475 4.1487 4.2513 4.2569 4.5326 4.5339 8.9823 8.9834 8.9835 8.9965 9.6237 9.6258 10.3934 10.3990 10.6503 10.6558 k =-0.3619 0.5321-0.0000 ( 4896 PWs) bands (ev): -12.5897 -12.5889 -12.4140 -12.4138 -11.6080 -11.6058 -10.2755 -10.2637 -9.1402 -9.1305 -9.1192 -9.1105 -4.1875 -4.1847 -3.4266 -3.4226 -1.4112 -1.3757 -1.1151 -1.0686 -0.7508 -0.7068 -0.2582 -0.2095 -0.0507 -0.0295 1.1961 1.2232 1.7566 1.7737 1.8082 1.8155 2.1760 2.1895 2.5799 2.5894 2.6037 2.6270 3.3305 3.3318 3.6517 3.6613 4.1769 4.1781 4.2360 4.2416 4.5171 4.5181 8.9559 8.9691 9.0267 9.0276 9.6008 9.6028 10.4194 10.4252 10.6088 10.6149 k =-0.3533 0.5461-0.0000 ( 4884 PWs) bands (ev): -12.5985 -12.5977 -12.4154 -12.4152 -11.5806 -11.5781 -10.3106 -10.2991 -9.1294 -9.1206 -9.1083 -9.0998 -4.1758 -4.1729 -3.4606 -3.4564 -1.3735 -1.3298 -1.0718 -1.0333 -0.8048 -0.7596 -0.2195 -0.1730 -0.1053 -0.0840 1.1999 1.2291 1.7700 1.7836 1.8209 1.8264 2.1909 2.2047 2.5713 2.5748 2.5814 2.5993 3.3226 3.3236 3.6577 3.6671 4.2050 4.2062 4.2212 4.2268 4.5012 4.5020 8.9269 8.9403 9.0731 9.0741 9.5767 9.5785 10.4488 10.4546 10.5668 10.5734 k =-0.3446 0.5602-0.0000 ( 4888 PWs) bands (ev): -12.6083 -12.6075 -12.4165 -12.4163 -11.5515 -11.5489 -10.3451 -10.3340 -9.1195 -9.1109 -9.0972 -9.0903 -4.1638 -4.1609 -3.4944 -3.4899 -1.3467 -1.2962 -1.0142 -0.9825 -0.8566 -0.8104 -0.1819 -0.1679 -0.1392 -0.1302 1.1934 1.2246 1.7763 1.7833 1.8506 1.8512 2.2054 2.2196 2.5453 2.5641 2.5705 2.5742 3.3151 3.3157 3.6634 3.6727 4.2067 4.2120 4.2318 4.2331 4.4850 4.4856 8.8965 8.9101 9.1215 9.1225 9.5515 9.5532 10.4813 10.4865 10.5247 10.5323 k =-0.3446 0.5602-0.0000 ( 4888 PWs) bands (ev): -12.6083 -12.6075 -12.4165 -12.4163 -11.5515 -11.5489 -10.3451 -10.3340 -9.1195 -9.1109 -9.0972 -9.0903 -4.1638 -4.1609 -3.4944 -3.4899 -1.3467 -1.2962 -1.0142 -0.9825 -0.8566 -0.8104 -0.1819 -0.1679 -0.1392 -0.1302 1.1934 1.2246 1.7763 1.7833 1.8506 1.8512 2.2054 2.2196 2.5453 2.5641 2.5705 2.5742 3.3151 3.3157 3.6634 3.6727 4.2067 4.2120 4.2318 4.2331 4.4850 4.4856 8.8965 8.9101 9.1215 9.1225 9.5515 9.5532 10.4813 10.4865 10.5247 10.5323 k =-0.3446 0.5602 0.0173 ( 4890 PWs) bands (ev): -12.6081 -12.6072 -12.4165 -12.4163 -11.5505 -11.5479 -10.3446 -10.3335 -9.1212 -9.1132 -9.0999 -9.0916 -4.1604 -4.1575 -3.4947 -3.4902 -1.3456 -1.2959 -1.0195 -0.9876 -0.8548 -0.8086 -0.1751 -0.1704 -0.1414 -0.1237 1.1940 1.2252 1.7763 1.7833 1.8499 1.8505 2.2029 2.2170 2.5451 2.5657 2.5712 2.5769 3.3151 3.3157 3.6647 3.6739 4.2063 4.2116 4.2319 4.2332 4.4842 4.4848 8.8948 8.9084 9.1199 9.1210 9.5455 9.5472 10.4811 10.4864 10.5298 10.5375 k =-0.3446 0.5602 0.0345 ( 4895 PWs) bands (ev): -12.6074 -12.6065 -12.4166 -12.4164 -11.5473 -11.5447 -10.3432 -10.3321 -9.1270 -9.1190 -9.1080 -9.0955 -4.1500 -4.1473 -3.4955 -3.4910 -1.3429 -1.2964 -1.0338 -1.0009 -0.8494 -0.8031 -0.1789 -0.1638 -0.1399 -0.1041 1.1961 1.2269 1.7761 1.7831 1.8477 1.8484 2.1955 2.2097 2.5444 2.5665 2.5770 2.5847 3.3152 3.3156 3.6683 3.6773 4.2050 4.2102 4.2322 4.2335 4.4816 4.4822 8.8897 8.9033 9.1154 9.1167 9.5281 9.5299 10.4806 10.4862 10.5448 10.5527 k =-0.3446 0.5602 0.0518 ( 4894 PWs) bands (ev): -12.6062 -12.6053 -12.4166 -12.4165 -11.5421 -11.5395 -10.3408 -10.3298 -9.1390 -9.1263 -9.1216 -9.1016 -4.1329 -4.1305 -3.4968 -3.4924 -1.3417 -1.3009 -1.0524 -1.0167 -0.8405 -0.7941 -0.1939 -0.1740 -0.1110 -0.0726 1.1995 1.2297 1.7757 1.7827 1.8440 1.8447 2.1842 2.1985 2.5432 2.5648 2.5888 2.5969 3.3154 3.3156 3.6742 3.6830 4.2028 4.2080 4.2326 4.2338 4.4774 4.4779 8.8812 8.8948 9.1083 9.1099 9.5008 9.5026 10.4798 10.4858 10.5684 10.5766 k =-0.3446 0.5602 0.0691 ( 4898 PWs) bands (ev): -12.6045 -12.6037 -12.4168 -12.4166 -11.5347 -11.5322 -10.3374 -10.3265 -9.1570 -9.1404 -9.1351 -9.1102 -4.1092 -4.1072 -3.4983 -3.4941 -1.3470 -1.3148 -1.0680 -1.0268 -0.8280 -0.7815 -0.2150 -0.1953 -0.0678 -0.0319 1.2042 1.2336 1.7750 1.7821 1.8384 1.8391 2.1703 2.1847 2.5414 2.5617 2.6044 2.6127 3.3156 3.3156 3.6822 3.6907 4.1997 4.2048 4.2331 4.2343 4.4715 4.4720 8.8693 8.8830 9.0992 9.1012 9.4655 9.4673 10.4787 10.4852 10.5987 10.6072 k =-0.3446 0.5602 0.0863 ( 4898 PWs) bands (ev): -12.6024 -12.6016 -12.4169 -12.4168 -11.5253 -11.5228 -10.3331 -10.3223 -9.1804 -9.1643 -9.1457 -9.1210 -4.0791 -4.0777 -3.5000 -3.4960 -1.3651 -1.3429 -1.0720 -1.0241 -0.8120 -0.7657 -0.2418 -0.2229 -0.0173 0.0152 1.2101 1.2386 1.7740 1.7811 1.8307 1.8315 2.1550 2.1697 2.5386 2.5573 2.6228 2.6313 3.3157 3.3160 3.6921 3.7002 4.1956 4.2007 4.2336 4.2347 4.4639 4.4644 8.8540 8.8678 9.0887 9.0912 9.4245 9.4262 10.4774 10.4845 10.6340 10.6427 k =-0.3446 0.5602 0.1036 ( 4900 PWs) bands (ev): -12.5999 -12.5990 -12.4171 -12.4170 -11.5137 -11.5113 -10.3278 -10.3171 -9.2086 -9.1931 -9.1584 -9.1341 -4.0429 -4.0421 -3.5016 -3.4978 -1.3992 -1.3857 -1.0594 -1.0059 -0.7929 -0.7467 -0.2736 -0.2559 0.0375 0.0667 1.2172 1.2445 1.7723 1.7794 1.8207 1.8215 2.1398 2.1547 2.5347 2.5515 2.6431 2.6518 3.3159 3.3164 3.7036 3.7113 4.1906 4.1956 4.2341 4.2350 4.4548 4.4552 8.8354 8.8492 9.0778 9.0809 9.3798 9.3814 10.4759 10.4836 10.6722 10.6812 k =-0.3446 0.5602 0.1208 ( 4900 PWs) bands (ev): -12.5969 -12.5961 -12.4174 -12.4173 -11.5001 -11.4977 -10.3216 -10.3110 -9.2414 -9.2264 -9.1732 -9.1493 -4.0009 -4.0008 -3.5029 -3.4994 -1.4474 -1.4403 -1.0310 -0.9740 -0.7710 -0.7252 -0.3099 -0.2932 0.0947 0.1207 1.2253 1.2514 1.7697 1.7766 1.8084 1.8091 2.1256 2.1407 2.5295 2.5440 2.6649 2.6738 3.3162 3.3170 3.7163 3.7237 4.1847 4.1896 4.2344 4.2352 4.4442 4.4446 8.8135 8.8274 9.0673 9.0711 9.3335 9.3348 10.4743 10.4825 10.7118 10.7208 k =-0.3446 0.5602 0.1381 ( 4906 PWs) bands (ev): -12.5936 -12.5927 -12.4177 -12.4176 -11.4844 -11.4821 -10.3143 -10.3040 -9.2784 -9.2639 -9.1900 -9.1667 -3.9541 -3.9535 -3.5037 -3.5005 -1.5055 -1.5028 -0.9899 -0.9312 -0.7470 -0.7021 -0.3494 -0.3335 0.1529 0.1758 1.2344 1.2592 1.7650 1.7712 1.7949 1.7951 2.1133 2.1285 2.5226 2.5346 2.6878 2.6969 3.3167 3.3178 3.7301 3.7370 4.1778 4.1825 4.2344 4.2350 4.4322 4.4325 8.7884 8.8023 9.0580 9.0627 9.2870 9.2880 10.4725 10.4813 10.7513 10.7602 k =-0.3446 0.5602 0.1554 ( 4914 PWs) bands (ev): -12.5898 -12.5889 -12.4181 -12.4180 -11.4667 -11.4644 -10.3061 -10.2959 -9.3192 -9.3053 -9.2086 -9.1860 -3.9024 -3.9010 -3.5036 -3.5008 -1.5706 -1.5701 -0.9391 -0.8796 -0.7221 -0.6791 -0.3906 -0.3745 0.2112 0.2311 1.2443 1.2678 1.7555 1.7593 1.7816 1.7843 2.1033 2.1185 2.5138 2.5231 2.7114 2.7208 3.3174 3.3188 3.7445 3.7510 4.1700 4.1745 4.2339 4.2344 4.4189 4.4190 8.7605 8.7742 9.0509 9.0565 9.2417 9.2423 10.4706 10.4797 10.7893 10.7979 k =-0.3446 0.5602 0.1726 ( 4912 PWs) bands (ev): -12.5857 -12.5848 -12.4186 -12.4186 -11.4469 -11.4447 -10.2968 -10.2869 -9.3636 -9.3502 -9.2291 -9.2073 -3.8461 -3.8438 -3.5025 -3.5001 -1.6417 -1.6389 -0.8808 -0.8211 -0.6996 -0.6606 -0.4299 -0.4117 0.2686 0.2856 1.2549 1.2770 1.7380 1.7397 1.7723 1.7775 2.0959 2.1107 2.5029 2.5093 2.7356 2.7452 3.3184 3.3200 3.7593 3.7653 4.1612 4.1655 4.2328 4.2331 4.4043 4.4043 8.7300 8.7435 9.0466 9.0531 9.1987 9.1989 10.4685 10.4779 10.8247 10.8327 k =-0.3446 0.5602 0.1899 ( 4908 PWs) bands (ev): -12.5812 -12.5804 -12.4192 -12.4192 -11.4251 -11.4230 -10.2865 -10.2769 -9.4111 -9.3984 -9.2513 -9.2303 -3.7855 -3.7823 -3.5001 -3.4982 -1.7148 -1.7101 -0.8167 -0.7567 -0.6856 -0.6551 -0.4604 -0.4361 0.3246 0.3389 1.2660 1.2867 1.7144 1.7154 1.7656 1.7719 2.0906 2.1050 2.4897 2.4930 2.7604 2.7702 3.3198 3.3215 3.7741 3.7797 4.1516 4.1556 4.2310 4.2311 4.3885 4.3886 8.6976 8.7107 9.0458 9.0534 9.1584 9.1586 10.4660 10.4756 10.8561 10.8633 k =-0.3446 0.5602 0.2072 ( 4900 PWs) bands (ev): -12.5765 -12.5756 -12.4199 -12.4199 -11.4012 -11.3992 -10.2752 -10.2658 -9.4615 -9.4493 -9.2752 -9.2550 -3.7211 -3.7168 -3.4963 -3.4948 -1.7891 -1.7829 -0.7497 -0.6892 -0.6882 -0.6717 -0.4709 -0.4375 0.3788 0.3905 1.2775 1.2966 1.6873 1.6881 1.7594 1.7662 2.0872 2.1007 2.4739 2.4742 2.7856 2.7956 3.3215 3.3233 3.7886 3.7939 4.1413 4.1449 4.2281 4.2282 4.3717 4.3719 8.6640 8.6764 9.0490 9.0576 9.1213 9.1219 10.4629 10.4726 10.8824 10.8884 k =-0.3446 0.5602 0.2244 ( 4896 PWs) bands (ev): -12.5714 -12.5705 -12.4207 -12.4207 -11.3753 -11.3735 -10.2629 -10.2538 -9.5144 -9.5029 -9.3005 -9.2812 -3.6532 -3.6479 -3.4908 -3.4899 -1.8640 -1.8565 -0.7305 -0.7134 -0.6656 -0.6136 -0.4562 -0.4155 0.4308 0.4400 1.2891 1.3066 1.6581 1.6589 1.7528 1.7600 2.0848 2.0973 2.4528 2.4554 2.8114 2.8214 3.3236 3.3255 3.8027 3.8076 4.1303 4.1335 4.2240 4.2244 4.3539 4.3543 8.6300 8.6415 9.0557 9.0658 9.0886 9.0891 10.4591 10.4688 10.9023 10.9070 k =-0.3446 0.5602 0.2417 ( 4894 PWs) bands (ev): -12.5662 -12.5652 -12.4216 -12.4216 -11.3475 -11.3458 -10.2495 -10.2407 -9.5695 -9.5586 -9.3271 -9.3088 -3.5821 -3.5758 -3.4835 -3.4831 -1.9388 -1.9304 -0.7769 -0.7685 -0.5911 -0.5368 -0.4226 -0.3782 0.4805 0.4871 1.3004 1.3163 1.6277 1.6286 1.7456 1.7530 2.0828 2.0940 2.4288 2.4343 2.8376 2.8476 3.3262 3.3281 3.8160 3.8206 4.1188 4.1216 4.2186 4.2193 4.3355 4.3359 8.5967 8.6071 9.0513 9.0561 9.0751 9.0822 10.4542 10.4638 10.9145 10.9178 k =-0.3446 0.5602 0.2589 ( 4895 PWs) bands (ev): -12.5606 -12.5597 -12.4227 -12.4227 -11.3176 -11.3161 -10.2350 -10.2266 -9.6265 -9.6161 -9.3550 -9.3376 -3.5086 -3.5010 -3.4742 -3.4740 -2.0134 -2.0042 -0.8364 -0.8322 -0.5113 -0.4572 -0.3775 -0.3315 0.5275 0.5318 1.3110 1.3252 1.5967 1.5977 1.7377 1.7454 2.0805 2.0901 2.4022 2.4105 2.8643 2.8743 3.3293 3.3311 3.8285 3.8328 4.1069 4.1093 4.2118 4.2128 4.3164 4.3170 8.5649 8.5741 9.0259 9.0293 9.0906 9.1004 10.4480 10.4574 10.9177 10.9200 k =-0.3446 0.5602 0.2762 ( 4891 PWs) bands (ev): -12.5549 -12.5540 -12.4240 -12.4239 -11.2859 -11.2845 -10.2195 -10.2114 -9.6850 -9.6753 -9.3839 -9.3676 -3.4647 -3.4630 -3.4308 -3.4236 -2.0874 -2.0774 -0.9026 -0.9012 -0.4289 -0.3755 -0.3249 -0.2784 0.5719 0.5739 1.3204 1.3326 1.5659 1.5670 1.7295 1.7374 2.0771 2.0847 2.3733 2.3840 2.8917 2.9014 3.3329 3.3346 3.8399 3.8441 4.0950 4.0969 4.2036 4.2050 4.2968 4.2976 8.5358 8.5435 9.0008 9.0043 9.1136 9.1244 10.4401 10.4493 10.9112 10.9131 k =-0.3446 0.5602 0.2935 ( 4891 PWs) bands (ev): -12.5491 -12.5482 -12.4254 -12.4253 -11.2522 -11.2509 -10.2029 -10.1952 -9.7449 -9.7357 -9.4139 -9.3985 -3.4514 -3.4495 -3.3527 -3.3441 -2.1605 -2.1500 -0.9740 -0.9732 -0.3451 -0.2924 -0.2666 -0.2205 0.6132 0.6134 1.3279 1.3380 1.5359 1.5370 1.7213 1.7292 2.0718 2.0773 2.3422 2.3551 2.9195 2.9291 3.3368 3.3383 3.8502 3.8542 4.0832 4.0847 4.1939 4.1957 4.2770 4.2778 8.5100 8.5162 8.9774 8.9812 9.1420 9.1536 10.4301 10.4389 10.8947 10.8971 k =-0.3446 0.5602 0.3107 ( 4895 PWs) bands (ev): -12.5431 -12.5422 -12.4270 -12.4268 -11.2166 -11.2155 -10.1852 -10.1780 -9.8058 -9.7972 -9.4446 -9.4303 -3.4362 -3.4337 -3.2724 -3.2628 -2.2326 -2.2217 -1.0497 -1.0470 -0.2610 -0.2085 -0.2034 -0.1586 0.6496 0.6520 1.3325 1.3402 1.5073 1.5084 1.7136 1.7216 2.0640 2.0670 2.3093 2.3239 2.9480 2.9573 3.3411 3.3423 3.8594 3.8633 4.0718 4.0727 4.1826 4.1849 4.2569 4.2579 8.4883 8.4928 8.9554 8.9597 9.1758 9.1879 10.4176 10.4261 10.8692 10.8730 k =-0.3446 0.5602 0.3280 ( 4895 PWs) bands (ev): -12.5371 -12.5362 -12.4288 -12.4286 -11.1791 -11.1782 -10.1664 -10.1597 -9.8674 -9.8595 -9.4760 -9.4627 -3.4188 -3.4156 -3.1903 -3.1800 -2.3035 -2.2922 -1.1275 -1.1232 -0.1776 -0.1353 -0.1245 -0.0932 0.6829 0.6873 1.3331 1.3381 1.4808 1.4818 1.7073 1.7153 2.0530 2.0533 2.2750 2.2908 2.9770 2.9859 3.3456 3.3464 3.8675 3.8714 4.0611 4.0615 4.1699 4.1726 4.2368 4.2379 8.4712 8.4740 8.9343 8.9393 9.2145 9.2270 10.4021 10.4102 10.8370 10.8427 k =-0.3446 0.5602 0.3453 ( 4900 PWs) bands (ev): -12.5309 -12.5300 -12.4308 -12.4306 -11.1398 -11.1391 -10.1465 -10.1403 -9.9297 -9.9223 -9.5080 -9.4958 -3.3990 -3.3952 -3.1069 -3.0958 -2.3731 -2.3615 -1.2072 -1.2015 -0.0966 -0.0621 -0.0411 -0.0247 0.7128 0.7190 1.3286 1.3306 1.4574 1.4580 1.7031 1.7111 2.0359 2.0384 2.2396 2.2561 3.0064 3.0149 3.3500 3.3503 3.8746 3.8786 4.0511 4.0512 4.1557 4.1590 4.2168 4.2180 8.4592 8.4602 8.9138 8.9193 9.2578 9.2707 10.3833 10.3909 10.8008 10.8085 k =-0.3446 0.5602 0.3625 ( 4891 PWs) bands (ev): -12.5248 -12.5239 -12.4330 -12.4327 -11.0987 -11.0982 -10.1256 -10.1199 -9.9923 -9.9854 -9.5404 -9.5292 -3.3768 -3.3723 -3.0223 -3.0105 -2.4411 -2.4294 -1.2885 -1.2814 -0.0181 0.0157 0.0411 0.0466 0.7387 0.7465 1.3165 1.3176 1.4377 1.4381 1.7021 1.7101 2.0143 2.0198 2.2036 2.2203 3.0361 3.0443 3.3540 3.3542 3.8809 3.8850 4.0418 4.0424 4.1403 4.1443 4.1970 4.1984 8.4517 8.4525 8.8932 8.8995 9.3055 9.3185 10.3606 10.3680 10.7632 10.7725 k =-0.3446 0.5602 0.3798 ( 4897 PWs) bands (ev): -12.5187 -12.5178 -12.4355 -12.4351 -11.0559 -11.0556 -10.1036 -10.0985 -10.0550 -10.0486 -9.5731 -9.5629 -3.3521 -3.3470 -2.9368 -2.9243 -2.5076 -2.4958 -1.3710 -1.3628 0.0590 0.0955 0.1197 0.1218 0.7600 0.7692 1.2949 1.2992 1.4222 1.4240 1.7049 1.7127 1.9885 1.9970 2.1674 2.1837 3.0659 3.0738 3.3569 3.3578 3.8866 3.8910 4.0339 4.0349 4.1238 4.1284 4.1776 4.1791 8.4487 8.4512 8.8722 8.8792 9.3571 9.3701 10.3339 10.3410 10.7265 10.7368 k =-0.3446 0.5602 0.3970 ( 4896 PWs) bands (ev): -12.5126 -12.5117 -12.4381 -12.4378 -11.0113 -11.0112 -10.1179 -10.1123 -10.0801 -10.0758 -9.6059 -9.5968 -3.3250 -3.3193 -2.8505 -2.8375 -2.5724 -2.5606 -1.4546 -1.4453 0.1361 0.1751 0.1952 0.1994 0.7759 0.7861 1.2654 1.2727 1.4126 1.4166 1.7118 1.7192 1.9584 1.9699 2.1313 2.1469 3.0957 3.1032 3.3588 3.3603 3.8920 3.8968 4.0275 4.0289 4.1065 4.1117 4.1587 4.1603 8.4510 8.4552 8.8502 8.8580 9.4121 9.4251 10.3029 10.3098 10.6924 10.7034 k =-0.3446 0.5602 0.4143 ( 4892 PWs) bands (ev): -12.5066 -12.5057 -12.4410 -12.4406 -10.9652 -10.9650 -10.1804 -10.1751 -10.0562 -10.0524 -9.6388 -9.6307 -3.2955 -3.2891 -2.7635 -2.7501 -2.6354 -2.6236 -1.5392 -1.5289 0.2134 0.2530 0.2714 0.2748 0.7856 0.7964 1.2277 1.2382 1.4104 1.4169 1.7226 1.7296 1.9242 1.9384 2.0958 2.1101 3.1251 3.1323 3.3592 3.3615 3.8975 3.9028 4.0228 4.0245 4.0885 4.0943 4.1405 4.1422 8.4587 8.4644 8.8269 8.8355 9.4701 9.4828 10.2675 10.2742 10.6625 10.6737 k =-0.3446 0.5602 0.4316 ( 4893 PWs) bands (ev): -12.5006 -12.4998 -12.4442 -12.4438 -10.9175 -10.9170 -10.2425 -10.2377 -10.0310 -10.0279 -9.6717 -9.6646 -3.2635 -3.2565 -2.6967 -2.6851 -2.6760 -2.6620 -1.6245 -1.6134 0.2904 0.3290 0.3435 0.3518 0.7883 0.7995 1.1822 1.1959 1.4164 1.4259 1.7371 1.7433 1.8861 1.9029 2.0610 2.0738 3.1539 3.1609 3.3579 3.3609 3.9035 3.9093 4.0198 4.0219 4.0701 4.0765 4.1230 4.1248 8.4713 8.4785 8.8020 8.8114 9.5304 9.5427 10.2276 10.2344 10.6377 10.6488 k =-0.3446 0.5602 0.4488 ( 4891 PWs) bands (ev): -12.4948 -12.4940 -12.4476 -12.4471 -10.8683 -10.8675 -10.3042 -10.2998 -10.0049 -10.0024 -9.7043 -9.6983 -3.2290 -3.2215 -2.7558 -2.7443 -2.5883 -2.5741 -1.7106 -1.6987 0.3653 0.4037 0.4101 0.4307 0.7836 0.7949 1.1297 1.1466 1.4311 1.4435 1.7545 1.7600 1.8447 1.8638 2.0272 2.0383 3.1817 3.1886 3.3544 3.3582 3.9103 3.9166 4.0187 4.0210 4.0517 4.0585 4.1065 4.1084 8.4885 8.4969 8.7754 8.7855 9.5926 9.6045 10.1835 10.1904 10.6190 10.6296 k =-0.3446 0.5602 0.4661 ( 4893 PWs) bands (ev): -12.4892 -12.4884 -12.4513 -12.4508 -10.8176 -10.8165 -10.3652 -10.3613 -9.9777 -9.9760 -9.7367 -9.7316 -3.1921 -3.1840 -2.8131 -2.8017 -2.5002 -2.4859 -1.7971 -1.7846 0.4357 0.4720 0.4785 0.5102 0.7716 0.7828 1.0711 1.0911 1.4542 1.4695 1.7739 1.7787 1.8009 1.8220 1.9944 2.0037 3.2084 3.2152 3.3485 3.3529 3.9183 3.9252 4.0190 4.0220 4.0338 4.0405 4.0910 4.0930 8.5098 8.5194 8.7471 8.7579 9.6559 9.6673 10.1353 10.1424 10.6068 10.6169 k =-0.3446 0.5602 0.4834 ( 4888 PWs) bands (ev): -12.4837 -12.4829 -12.4552 -12.4546 -10.7653 -10.7640 -10.4255 -10.4220 -9.9497 -9.9487 -9.7688 -9.7646 -3.1528 -3.1442 -2.8682 -2.8571 -2.4120 -2.3976 -1.8842 -1.8711 0.4995 0.5290 0.5545 0.5895 0.7529 0.7638 1.0071 1.0300 1.4848 1.5026 1.7530 1.7720 1.8013 1.8013 1.9628 1.9703 3.2337 3.2403 3.3399 3.3449 3.9277 3.9351 4.0133 4.0220 4.0242 4.0257 4.0768 4.0788 8.5346 8.5451 8.7173 8.7286 9.7199 9.7307 10.0834 10.0908 10.6015 10.6110 k =-0.3446 0.5602 0.5006 ( 4892 PWs) bands (ev): -12.4784 -12.4777 -12.4594 -12.4588 -10.7117 -10.7101 -10.4849 -10.4818 -9.9207 -9.9205 -9.8003 -9.7971 -3.1111 -3.1020 -2.9213 -2.9105 -2.3238 -2.3093 -1.9716 -1.9581 0.5563 0.5810 0.6300 0.6681 0.7292 0.7385 0.9387 0.9642 1.5218 1.5417 1.7052 1.7270 1.8238 1.8244 1.9325 1.9381 3.2572 3.2637 3.3286 3.3341 3.9386 3.9465 3.9968 4.0054 4.0279 4.0299 4.0638 4.0659 8.5623 8.5734 8.6864 8.6981 9.7839 9.7941 10.0281 10.0360 10.6031 10.6120 k =-0.3446 0.5602 0.5179 ( 4892 PWs) bands (ev): -12.4733 -12.4726 -12.4638 -12.4631 -10.6568 -10.6548 -10.5433 -10.5406 -9.8915 -9.8909 -9.8314 -9.8291 -3.0671 -3.0575 -2.9721 -2.9617 -2.2355 -2.2212 -2.0594 -2.0455 0.6064 0.6281 0.6780 0.7064 0.7266 0.7462 0.8670 0.8944 1.5638 1.5852 1.6569 1.6792 1.8493 1.8499 1.9034 1.9072 3.2786 3.2850 3.3145 3.3204 3.9511 3.9593 3.9805 3.9890 4.0342 4.0363 4.0523 4.0545 8.5920 8.6036 8.6548 8.6666 9.8473 9.8569 9.9700 9.9784 10.6114 10.6198 k =-0.3446 0.5602 0.5351 ( 4888 PWs) bands (ev): -12.4684 -12.4684 -12.4678 -12.4678 -10.6006 -10.6006 -10.5983 -10.5983 -9.8618 -9.8618 -9.8603 -9.8603 -3.0207 -3.0207 -3.0107 -3.0107 -2.1474 -2.1474 -2.1332 -2.1332 0.6495 0.6495 0.6700 0.6700 0.7935 0.7935 0.8214 0.8214 1.6093 1.6093 1.6315 1.6315 1.8756 1.8756 1.8778 1.8778 3.2978 3.2978 3.3040 3.3040 3.9651 3.9651 3.9735 3.9735 4.0424 4.0424 4.0446 4.0446 8.6231 8.6231 8.6349 8.6349 9.9095 9.9095 9.9185 9.9185 10.6262 10.6262 k =-0.3446 0.5602 0.5351 ( 4888 PWs) bands (ev): -12.4684 -12.4684 -12.4678 -12.4678 -10.6006 -10.6006 -10.5983 -10.5983 -9.8618 -9.8618 -9.8603 -9.8603 -3.0207 -3.0207 -3.0107 -3.0107 -2.1474 -2.1474 -2.1332 -2.1332 0.6495 0.6495 0.6700 0.6700 0.7935 0.7935 0.8214 0.8214 1.6093 1.6093 1.6315 1.6315 1.8756 1.8756 1.8778 1.8778 3.2978 3.2978 3.3040 3.3040 3.9651 3.9651 3.9735 3.9735 4.0424 4.0424 4.0446 4.0446 8.6231 8.6231 8.6349 8.6349 9.9095 9.9095 9.9185 9.9185 10.6262 10.6262 k =-0.3533 0.5461 0.5351 ( 4888 PWs) bands (ev): -12.4644 -12.4644 -12.4638 -12.4638 -10.6252 -10.6252 -10.6229 -10.6229 -9.8377 -9.8377 -9.8362 -9.8362 -3.0724 -3.0724 -3.0630 -3.0630 -2.0956 -2.0956 -2.0814 -2.0814 0.6557 0.6557 0.6752 0.6752 0.8029 0.8029 0.8312 0.8312 1.6113 1.6113 1.6328 1.6328 1.8613 1.8613 1.8619 1.8619 3.2921 3.2921 3.2984 3.2984 3.9495 3.9495 3.9576 3.9576 4.0588 4.0588 4.0610 4.0610 8.6197 8.6197 8.6314 8.6314 9.9202 9.9202 9.9284 9.9284 10.6255 10.6255 k =-0.3619 0.5321 0.5351 ( 4880 PWs) bands (ev): -12.4607 -12.4607 -12.4601 -12.4601 -10.6485 -10.6485 -10.6464 -10.6464 -9.8140 -9.8140 -9.8126 -9.8126 -3.1225 -3.1225 -3.1138 -3.1138 -2.0459 -2.0459 -2.0318 -2.0318 0.6613 0.6613 0.6798 0.6798 0.8134 0.8134 0.8419 0.8419 1.6146 1.6146 1.6356 1.6356 1.8438 1.8438 1.8447 1.8447 3.2859 3.2859 3.2925 3.2925 3.9339 3.9339 3.9418 3.9418 4.0759 4.0759 4.0780 4.0780 8.6156 8.6156 8.6273 8.6273 9.9319 9.9319 9.9392 9.9392 10.6279 10.6279 k =-0.3705 0.5181 0.5351 ( 4880 PWs) bands (ev): -12.4572 -12.4572 -12.4566 -12.4566 -10.6706 -10.6706 -10.6686 -10.6686 -9.7910 -9.7910 -9.7896 -9.7896 -3.1708 -3.1708 -3.1628 -3.1628 -1.9984 -1.9984 -1.9844 -1.9844 0.6664 0.6664 0.6838 0.6838 0.8250 0.8250 0.8537 0.8537 1.6192 1.6192 1.6396 1.6396 1.8236 1.8236 1.8262 1.8262 3.2795 3.2795 3.2862 3.2862 3.9186 3.9186 3.9264 3.9264 4.0934 4.0934 4.0955 4.0955 8.6109 8.6109 8.6223 8.6223 9.9445 9.9445 9.9511 9.9511 10.6330 10.6330 k =-0.3792 0.5040 0.5351 ( 4876 PWs) bands (ev): -12.4539 -12.4539 -12.4534 -12.4534 -10.6914 -10.6914 -10.6895 -10.6895 -9.7687 -9.7687 -9.7674 -9.7674 -3.2172 -3.2172 -3.2098 -3.2098 -1.9532 -1.9532 -1.9395 -1.9395 0.6711 0.6711 0.6872 0.6872 0.8377 0.8377 0.8666 0.8666 1.6247 1.6247 1.6445 1.6445 1.8016 1.8016 1.8060 1.8060 3.2729 3.2729 3.2796 3.2796 3.9037 3.9037 3.9112 3.9112 4.1111 4.1111 4.1130 4.1130 8.6057 8.6057 8.6168 8.6168 9.9582 9.9582 9.9640 9.9640 10.6405 10.6405 k =-0.3878 0.4900 0.5351 ( 4876 PWs) bands (ev): -12.4509 -12.4509 -12.4504 -12.4504 -10.7109 -10.7109 -10.7091 -10.7091 -9.7472 -9.7472 -9.7460 -9.7460 -3.2614 -3.2614 -3.2546 -3.2546 -1.9105 -1.9105 -1.8972 -1.8972 0.6753 0.6753 0.6903 0.6903 0.8518 0.8518 0.8806 0.8806 1.6308 1.6308 1.6503 1.6503 1.7779 1.7779 1.7843 1.7843 3.2663 3.2663 3.2729 3.2729 3.8893 3.8893 3.8966 3.8966 4.1287 4.1287 4.1304 4.1304 8.5999 8.5999 8.6107 8.6107 9.9729 9.9729 9.9779 9.9779 10.6501 10.6501 k =-0.3964 0.4760 0.5351 ( 4872 PWs) bands (ev): -12.4481 -12.4481 -12.4476 -12.4476 -10.7290 -10.7290 -10.7274 -10.7274 -9.7267 -9.7267 -9.7255 -9.7255 -3.3033 -3.3033 -3.2971 -3.2971 -1.8704 -1.8704 -1.8575 -1.8575 0.6791 0.6791 0.6929 0.6929 0.8670 0.8670 0.8957 0.8957 1.6371 1.6371 1.6565 1.6565 1.7529 1.7529 1.7615 1.7615 3.2596 3.2596 3.2662 3.2662 3.8754 3.8754 3.8824 3.8824 4.1459 4.1459 4.1475 4.1475 8.5939 8.5939 8.6041 8.6041 9.9886 9.9886 9.9929 9.9929 10.6615 10.6615 k =-0.4050 0.4619 0.5351 ( 4876 PWs) bands (ev): -12.4455 -12.4455 -12.4451 -12.4451 -10.7458 -10.7458 -10.7443 -10.7443 -9.7073 -9.7073 -9.7062 -9.7062 -3.3426 -3.3426 -3.3370 -3.3370 -1.8329 -1.8329 -1.8207 -1.8207 0.6826 0.6826 0.6951 0.6951 0.8835 0.8835 0.9119 0.9119 1.6430 1.6430 1.6627 1.6627 1.7271 1.7271 1.7383 1.7383 3.2531 3.2531 3.2596 3.2596 3.8623 3.8623 3.8690 3.8690 4.1625 4.1625 4.1640 4.1640 8.5876 8.5876 8.5973 8.5973 10.0050 10.0050 10.0086 10.0086 10.6743 10.6743 k =-0.4137 0.4479 0.5351 ( 4878 PWs) bands (ev): -12.4431 -12.4431 -12.4428 -12.4428 -10.7612 -10.7612 -10.7598 -10.7598 -9.6891 -9.6891 -9.6881 -9.6881 -3.3792 -3.3792 -3.3742 -3.3742 -1.7984 -1.7984 -1.7868 -1.7868 0.6858 0.6858 0.6971 0.6971 0.9010 0.9010 0.9289 0.9289 1.6471 1.6471 1.6680 1.6680 1.7016 1.7016 1.7162 1.7162 3.2468 3.2468 3.2530 3.2530 3.8499 3.8499 3.8563 3.8563 4.1783 4.1783 4.1797 4.1797 8.5813 8.5813 8.5903 8.5903 10.0220 10.0220 10.0250 10.0250 10.6880 10.6880 k =-0.4223 0.4339 0.5351 ( 4876 PWs) bands (ev): -12.4410 -12.4410 -12.4407 -12.4407 -10.7751 -10.7751 -10.7739 -10.7739 -9.6723 -9.6723 -9.6713 -9.6713 -3.4129 -3.4129 -3.4084 -3.4084 -1.7667 -1.7667 -1.7559 -1.7559 0.6887 0.6887 0.6987 0.6987 0.9196 0.9196 0.9467 0.9467 1.6460 1.6460 1.6635 1.6635 1.6853 1.6853 1.6986 1.6986 3.2409 3.2409 3.2468 3.2468 3.8384 3.8384 3.8444 3.8444 4.1931 4.1931 4.1944 4.1944 8.5750 8.5750 8.5834 8.5834 10.0393 10.0393 10.0417 10.0417 10.7021 10.7021 k =-0.4309 0.4199 0.5351 ( 4880 PWs) bands (ev): -12.4391 -12.4391 -12.4388 -12.4388 -10.7877 -10.7877 -10.7865 -10.7865 -9.6568 -9.6568 -9.6560 -9.6560 -3.4435 -3.4435 -3.4396 -3.4396 -1.7381 -1.7381 -1.7282 -1.7282 0.6912 0.6912 0.7001 0.7001 0.9388 0.9388 0.9649 0.9649 1.6346 1.6346 1.6405 1.6405 1.6873 1.6873 1.6909 1.6909 3.2353 3.2353 3.2408 3.2408 3.8279 3.8279 3.8334 3.8334 4.2068 4.2068 4.2079 4.2079 8.5690 8.5690 8.5766 8.5766 10.0565 10.0565 10.0583 10.0583 10.7163 10.7163 k =-0.4396 0.4058 0.5351 ( 4888 PWs) bands (ev): -12.4375 -12.4375 -12.4372 -12.4372 -10.7988 -10.7988 -10.7978 -10.7978 -9.6429 -9.6429 -9.6422 -9.6422 -3.4709 -3.4709 -3.4675 -3.4675 -1.7125 -1.7125 -1.7036 -1.7036 0.6936 0.6936 0.7013 0.7013 0.9586 0.9586 0.9832 0.9832 1.6142 1.6142 1.6148 1.6148 1.6914 1.6914 1.6925 1.6925 3.2303 3.2303 3.2353 3.2353 3.8185 3.8185 3.8235 3.8235 4.2192 4.2192 4.2202 4.2202 8.5634 8.5634 8.5702 8.5702 10.0731 10.0731 10.0745 10.0745 10.7301 10.7301 k =-0.4482 0.3918 0.5351 ( 4904 PWs) bands (ev): -12.4360 -12.4360 -12.4358 -12.4358 -10.8084 -10.8084 -10.8075 -10.8075 -9.6307 -9.6307 -9.6300 -9.6300 -3.4949 -3.4949 -3.4920 -3.4920 -1.6901 -1.6901 -1.6823 -1.6823 0.6956 0.6956 0.7022 0.7022 0.9784 0.9784 1.0011 1.0011 1.5884 1.5884 1.5921 1.5921 1.6951 1.6951 1.6978 1.6978 3.2258 3.2258 3.2303 3.2303 3.8102 3.8102 3.8146 3.8146 4.2302 4.2302 4.2311 4.2311 8.5583 8.5583 8.5642 8.5642 10.0889 10.0889 10.0899 10.0899 10.7430 10.7431 k =-0.4568 0.3778 0.5351 ( 4910 PWs) bands (ev): -12.4348 -12.4348 -12.4346 -12.4346 -10.8166 -10.8166 -10.8158 -10.8158 -9.6201 -9.6201 -9.6196 -9.6196 -3.5154 -3.5154 -3.5130 -3.5130 -1.6710 -1.6710 -1.6643 -1.6643 0.6974 0.6974 0.7029 0.7029 0.9977 0.9977 1.0181 1.0181 1.5642 1.5642 1.5693 1.5693 1.6996 1.6996 1.7026 1.7026 3.2219 3.2219 3.2258 3.2258 3.8032 3.8032 3.8069 3.8069 4.2397 4.2397 4.2404 4.2404 8.5538 8.5538 8.5588 8.5588 10.1032 10.1032 10.1039 10.1039 10.7548 10.7548 k =-0.4655 0.3637 0.5351 ( 4910 PWs) bands (ev): -12.4338 -12.4338 -12.4336 -12.4336 -10.8232 -10.8232 -10.8227 -10.8227 -9.6114 -9.6114 -9.6109 -9.6109 -3.5323 -3.5323 -3.5304 -3.5304 -1.6551 -1.6551 -1.6497 -1.6497 0.6990 0.6990 0.7033 0.7033 1.0159 1.0159 1.0335 1.0335 1.5425 1.5425 1.5481 1.5481 1.7039 1.7039 1.7067 1.7067 3.2188 3.2188 3.2220 3.2220 3.7974 3.7974 3.8005 3.8005 4.2476 4.2476 4.2482 4.2482 8.5501 8.5501 8.5541 8.5541 10.1157 10.1157 10.1162 10.1162 10.7649 10.7649 k =-0.4741 0.3497 0.5351 ( 4912 PWs) bands (ev): -12.4330 -12.4330 -12.4329 -12.4329 -10.8284 -10.8284 -10.8280 -10.8280 -9.6045 -9.6045 -9.6042 -9.6042 -3.5454 -3.5454 -3.5440 -3.5440 -1.6425 -1.6425 -1.6385 -1.6385 0.7004 0.7004 0.7036 0.7036 1.0322 1.0322 1.0462 1.0462 1.5244 1.5244 1.5295 1.5295 1.7076 1.7076 1.7098 1.7098 3.2164 3.2164 3.2189 3.2189 3.7929 3.7929 3.7953 3.7953 4.2538 4.2538 4.2542 4.2542 8.5473 8.5473 8.5503 8.5503 10.1259 10.1259 10.1262 10.1262 10.7731 10.7731 k =-0.4827 0.3357 0.5351 ( 4896 PWs) bands (ev): -12.4325 -12.4325 -12.4324 -12.4324 -10.8321 -10.8321 -10.8318 -10.8318 -9.5995 -9.5995 -9.5993 -9.5993 -3.5548 -3.5548 -3.5539 -3.5539 -1.6333 -1.6333 -1.6306 -1.6306 0.7015 0.7015 0.7036 0.7036 1.0457 1.0457 1.0555 1.0555 1.5109 1.5109 1.5148 1.5148 1.7105 1.7105 1.7120 1.7120 3.2148 3.2148 3.2165 3.2165 3.7899 3.7899 3.7914 3.7914 4.2583 4.2583 4.2586 4.2586 8.5453 8.5453 8.5474 8.5474 10.1335 10.1335 10.1337 10.1337 10.7792 10.7793 k =-0.4914 0.3216 0.5351 ( 4896 PWs) bands (ev): -12.4321 -12.4321 -12.4321 -12.4321 -10.8343 -10.8343 -10.8341 -10.8341 -9.5965 -9.5965 -9.5964 -9.5964 -3.5604 -3.5604 -3.5599 -3.5599 -1.6275 -1.6275 -1.6262 -1.6262 0.7023 0.7023 0.7034 0.7034 1.0553 1.0553 1.0604 1.0604 1.5028 1.5028 1.5049 1.5049 1.7124 1.7124 1.7132 1.7132 3.2140 3.2140 3.2149 3.2149 3.7882 3.7882 3.7889 3.7889 4.2611 4.2611 4.2612 4.2612 8.5443 8.5443 8.5454 8.5454 10.1382 10.1382 10.1383 10.1383 10.7829 10.7830 k =-0.5000 0.3076 0.5351 ( 4904 PWs) bands (ev): -12.4320 -12.4320 -12.4320 -12.4320 -10.8350 -10.8350 -10.8350 -10.8350 -9.5955 -9.5955 -9.5955 -9.5955 -3.5621 -3.5621 -3.5621 -3.5621 -1.6251 -1.6251 -1.6251 -1.6251 0.7030 0.7030 0.7030 0.7030 1.0603 1.0603 1.0603 1.0603 1.5008 1.5008 1.5008 1.5008 1.7133 1.7133 1.7133 1.7133 3.2140 3.2140 3.2140 3.2140 3.7878 3.7878 3.7878 3.7878 4.2620 4.2620 4.2620 4.2620 8.5443 8.5443 8.5443 8.5443 10.1398 10.1398 10.1398 10.1398 10.7842 10.7842 k =-0.5000 0.3076 0.5351 ( 4904 PWs) bands (ev): -12.4320 -12.4320 -12.4320 -12.4320 -10.8350 -10.8350 -10.8350 -10.8350 -9.5955 -9.5955 -9.5955 -9.5955 -3.5621 -3.5621 -3.5621 -3.5621 -1.6251 -1.6251 -1.6251 -1.6251 0.7030 0.7030 0.7030 0.7030 1.0603 1.0603 1.0603 1.0603 1.5008 1.5008 1.5008 1.5008 1.7133 1.7133 1.7133 1.7133 3.2140 3.2140 3.2140 3.2140 3.7878 3.7878 3.7878 3.7878 4.2620 4.2620 4.2620 4.2620 8.5443 8.5443 8.5443 8.5443 10.1398 10.1398 10.1398 10.1398 10.7842 10.7842 k =-0.5000 0.3076 0.5179 ( 4900 PWs) bands (ev): -12.4363 -12.4363 -12.4278 -12.4278 -10.8941 -10.8941 -10.7745 -10.7745 -9.6070 -9.6070 -9.5839 -9.5839 -3.5739 -3.5739 -3.5470 -3.5470 -1.7386 -1.7386 -1.5131 -1.5131 0.6845 0.6845 0.7167 0.7167 1.0154 1.0154 1.1039 1.1039 1.4512 1.4512 1.5527 1.5527 1.7015 1.7015 1.7230 1.7230 3.2043 3.2043 3.2218 3.2218 3.7734 3.7734 3.8043 3.8043 4.2542 4.2542 4.2712 4.2712 8.5453 8.5453 8.5490 8.5490 10.0947 10.0947 10.1807 10.1807 10.7446 10.7446 k =-0.5000 0.3076 0.5006 ( 4904 PWs) bands (ev): -12.4407 -12.4407 -12.4238 -12.4238 -10.9519 -10.9519 -10.7128 -10.7128 -9.6185 -9.6185 -9.5724 -9.5724 -3.5823 -3.5823 -3.5287 -3.5287 -1.8533 -1.8533 -1.4026 -1.4026 0.6618 0.6618 0.7251 0.7251 0.9701 0.9701 1.1443 1.1443 1.4060 1.4060 1.6057 1.6057 1.6885 1.6885 1.7300 1.7300 3.1921 3.1921 3.2280 3.2280 3.7613 3.7613 3.8220 3.8220 4.2477 4.2477 4.2817 4.2817 8.5517 8.5517 8.5593 8.5593 10.0456 10.0456 10.2173 10.2173 10.7077 10.7077 k =-0.5000 0.3076 0.4834 ( 4902 PWs) bands (ev): -12.4453 -12.4453 -12.4200 -12.4200 -11.0082 -11.0082 -10.6499 -10.6499 -9.6299 -9.6299 -9.5608 -9.5608 -3.5874 -3.5874 -3.5071 -3.5071 -1.9689 -1.9689 -1.2941 -1.2941 0.6352 0.6352 0.7273 0.7273 0.9250 0.9250 1.1768 1.1768 1.3696 1.3696 1.6545 1.6545 1.6796 1.6796 1.7346 1.7346 3.1772 3.1772 3.2331 3.2331 3.7518 3.7518 3.8404 3.8404 4.2429 4.2429 4.2934 4.2934 8.5633 8.5633 8.5753 8.5753 9.9927 9.9927 10.2494 10.2494 10.6740 10.6740 k =-0.5000 0.3076 0.4661 ( 4908 PWs) bands (ev): -12.4500 -12.4500 -12.4164 -12.4164 -11.0630 -11.0630 -10.5861 -10.5861 -9.6412 -9.6412 -9.5494 -9.5494 -3.5893 -3.5893 -3.4823 -3.4823 -2.0851 -2.0851 -1.1876 -1.1876 0.6048 0.6048 0.7228 0.7228 0.8803 0.8803 1.1913 1.1913 1.3524 1.3524 1.6560 1.6560 1.7139 1.7139 1.7412 1.7412 3.1598 3.1598 3.2378 3.2378 3.7450 3.7450 3.8588 3.8588 4.2395 4.2395 4.3062 4.3062 8.5798 8.5798 8.5969 8.5969 9.9366 9.9366 10.2772 10.2772 10.6439 10.6439 k =-0.5000 0.3076 0.4488 ( 4906 PWs) bands (ev): -12.4548 -12.4548 -12.4129 -12.4129 -11.1161 -11.1161 -10.5213 -10.5213 -9.6523 -9.6523 -9.5380 -9.5380 -3.5878 -3.5878 -3.4543 -3.4543 -2.2018 -2.2018 -1.0834 -1.0834 0.5708 0.5708 0.7106 0.7106 0.8365 0.8365 1.1788 1.1788 1.3631 1.3631 1.6444 1.6444 1.7268 1.7268 1.7814 1.7814 3.1400 3.1400 3.2423 3.2423 3.7407 3.7407 3.8765 3.8765 4.2378 4.2378 4.3199 4.3199 8.6008 8.6008 8.6240 8.6240 9.8774 9.8774 10.3006 10.3006 10.6178 10.6178 k =-0.5000 0.3076 0.4316 ( 4906 PWs) bands (ev): -12.4596 -12.4596 -12.4096 -12.4096 -11.1677 -11.1677 -10.4557 -10.4557 -9.6633 -9.6633 -9.5269 -9.5269 -3.5831 -3.5831 -3.4232 -3.4232 -2.3186 -2.3186 -0.9817 -0.9817 0.5333 0.5333 0.6901 0.6901 0.7935 0.7935 1.1479 1.1479 1.3931 1.3931 1.6344 1.6344 1.7231 1.7231 1.8368 1.8368 3.1181 3.1181 3.2470 3.2470 3.7384 3.7384 3.8930 3.8930 4.2376 4.2376 4.3345 4.3345 8.6257 8.6257 8.6563 8.6563 9.8157 9.8157 10.3200 10.3200 10.5961 10.5961 k =-0.5000 0.3076 0.4143 ( 4912 PWs) bands (ev): -12.4645 -12.4645 -12.4065 -12.4065 -11.2175 -11.2175 -10.3894 -10.3894 -9.6740 -9.6740 -9.5158 -9.5158 -3.5752 -3.5752 -3.3890 -3.3890 -2.4353 -2.4353 -0.8827 -0.8827 0.4923 0.4923 0.6612 0.6612 0.7514 0.7514 1.1099 1.1099 1.4311 1.4311 1.6277 1.6277 1.7156 1.7156 1.8937 1.8937 3.0948 3.0948 3.2521 3.2521 3.7378 3.7378 3.9077 3.9077 4.2391 4.2391 4.3498 4.3498 8.6542 8.6542 8.6937 8.6937 9.7519 9.7519 10.3355 10.3355 10.5793 10.5793 k =-0.5000 0.3076 0.3970 ( 4908 PWs) bands (ev): -12.4694 -12.4694 -12.4036 -12.4036 -11.2656 -11.2656 -10.3226 -10.3226 -9.6845 -9.6845 -9.5050 -9.5050 -3.5642 -3.5642 -3.3519 -3.3519 -2.5517 -2.5517 -0.7867 -0.7867 0.4477 0.4477 0.6242 0.6242 0.7098 0.7098 1.0699 1.0699 1.4719 1.4719 1.6249 1.6249 1.7058 1.7058 1.9511 1.9511 3.0705 3.0705 3.2577 3.2577 3.7382 3.7382 3.9203 3.9203 4.2421 4.2421 4.3658 4.3658 8.6855 8.6855 8.7358 8.7358 9.6865 9.6865 10.3474 10.3474 10.5676 10.5676 k =-0.5000 0.3076 0.3798 ( 4910 PWs) bands (ev): -12.4744 -12.4744 -12.4009 -12.4009 -11.3119 -11.3119 -10.2554 -10.2554 -9.6947 -9.6947 -9.4944 -9.4944 -3.5500 -3.5500 -3.3119 -3.3119 -2.6673 -2.6673 -0.6938 -0.6938 0.3997 0.3997 0.5795 0.5795 0.6688 0.6688 1.0298 1.0298 1.5135 1.5135 1.6265 1.6265 1.6942 1.6942 2.0085 2.0085 3.0457 3.0457 3.2640 3.2640 3.7391 3.7391 3.9305 3.9305 4.2466 4.2466 4.3822 4.3822 8.7192 8.7192 8.7821 8.7821 9.6200 9.6200 10.3561 10.3561 10.5614 10.5614 k =-0.5000 0.3076 0.3625 ( 4916 PWs) bands (ev): -12.4793 -12.4793 -12.3984 -12.3984 -11.3564 -11.3564 -10.1880 -10.1880 -9.7047 -9.7047 -9.4841 -9.4841 -3.5329 -3.5329 -3.2690 -3.2690 -2.7819 -2.7819 -0.6042 -0.6042 0.3481 0.3481 0.5274 0.5274 0.6285 0.6285 0.9906 0.9906 1.5549 1.5549 1.6324 1.6324 1.6815 1.6815 2.0657 2.0657 3.0210 3.0210 3.2709 3.2709 3.7402 3.7402 3.9380 3.9380 4.2525 4.2525 4.3989 4.3989 8.7545 8.7545 8.8323 8.8323 9.5527 9.5527 10.3620 10.3620 10.5610 10.5610 k =-0.5000 0.3076 0.3453 ( 4922 PWs) bands (ev): -12.4842 -12.4842 -12.3961 -12.3961 -11.3990 -11.3990 -10.1206 -10.1206 -9.7143 -9.7143 -9.4741 -9.4741 -3.5129 -3.5129 -3.2235 -3.2235 -2.8952 -2.8952 -0.5182 -0.5182 0.2930 0.2930 0.4685 0.4685 0.5894 0.5894 0.9528 0.9528 1.5954 1.5954 1.6418 1.6418 1.6687 1.6687 2.1223 2.1223 2.9967 2.9967 3.2784 3.2784 3.7411 3.7411 3.9428 3.9428 4.2598 4.2598 4.4159 4.4159 8.7908 8.7908 8.8858 8.8858 9.4853 9.4853 10.3655 10.3655 10.5666 10.5666 k =-0.5000 0.3076 0.3280 ( 4922 PWs) bands (ev): -12.4891 -12.4891 -12.3939 -12.3939 -11.4397 -11.4397 -10.0534 -10.0534 -9.7236 -9.7236 -9.4644 -9.4644 -3.4901 -3.4901 -3.1753 -3.1753 -3.0068 -3.0068 -0.4359 -0.4359 0.2346 0.2346 0.4036 0.4036 0.5519 0.5519 0.9166 0.9166 1.6327 1.6327 1.6493 1.6493 1.6632 1.6632 2.1783 2.1783 2.9731 2.9731 3.2864 3.2864 3.7416 3.7416 3.9447 3.9447 4.2682 4.2682 4.4330 4.4330 8.8275 8.8275 8.9421 8.9421 9.4180 9.4180 10.3668 10.3668 10.5784 10.5784 k =-0.5000 0.3076 0.3107 ( 4912 PWs) bands (ev): -12.4939 -12.4939 -12.3919 -12.3919 -11.4785 -11.4785 -9.9866 -9.9866 -9.7325 -9.7325 -9.4550 -9.4550 -3.4647 -3.4647 -3.1250 -3.1250 -3.1162 -3.1162 -0.3575 -0.3575 0.1728 0.1728 0.3335 0.3335 0.5161 0.5161 0.8824 0.8824 1.6339 1.6339 1.6724 1.6724 1.6802 1.6802 2.2333 2.2333 2.9506 2.9506 3.2949 3.2949 3.7414 3.7414 3.9438 3.9438 4.2777 4.2777 4.4501 4.4501 8.8641 8.8641 9.0006 9.0006 9.3514 9.3514 10.3663 10.3663 10.5966 10.5966 k =-0.5000 0.3076 0.2935 ( 4916 PWs) bands (ev): -12.4985 -12.4985 -12.3901 -12.3901 -11.5153 -11.5153 -9.9205 -9.9205 -9.7411 -9.7411 -9.4461 -9.4461 -3.4369 -3.4369 -3.2238 -3.2238 -3.0718 -3.0718 -0.2833 -0.2833 0.1079 0.1079 0.2593 0.2593 0.4821 0.4821 0.8502 0.8502 1.6205 1.6205 1.6946 1.6946 1.7143 1.7143 2.2873 2.2873 2.9293 2.9293 3.3036 3.3036 3.7404 3.7404 3.9401 3.9401 4.2881 4.2881 4.4670 4.4670 8.8999 8.8999 9.0608 9.0608 9.2860 9.2860 10.3643 10.3643 10.6212 10.6212 k =-0.5000 0.3076 0.2762 ( 4908 PWs) bands (ev): -12.5031 -12.5031 -12.3885 -12.3885 -11.5502 -11.5502 -9.8553 -9.8553 -9.7492 -9.7492 -9.4375 -9.4375 -3.4069 -3.4069 -3.3284 -3.3284 -3.0168 -3.0168 -0.2135 -0.2135 0.0402 0.0402 0.1822 0.1822 0.4498 0.4498 0.8203 0.8203 1.6066 1.6066 1.7168 1.7168 1.7499 1.7499 2.3398 2.3398 2.9094 2.9094 3.3127 3.3127 3.7386 3.7386 3.9339 3.9339 4.2992 4.2992 4.4837 4.4837 8.9345 8.9345 9.1221 9.1221 9.2220 9.2220 10.3611 10.3611 10.6523 10.6523 k =-0.5000 0.3076 0.2589 ( 4908 PWs) bands (ev): -12.5075 -12.5075 -12.3870 -12.3870 -11.5830 -11.5830 -9.7915 -9.7915 -9.7569 -9.7569 -9.4293 -9.4293 -3.4302 -3.4302 -3.3745 -3.3745 -2.9599 -2.9599 -0.1484 -0.1484 -0.0299 -0.0299 0.1031 0.1031 0.4194 0.4194 0.7928 0.7928 1.5932 1.5932 1.7407 1.7407 1.7843 1.7843 2.3908 2.3908 2.8909 2.8909 3.3218 3.3218 3.7360 3.7360 3.9252 3.9252 4.3108 4.3108 4.5001 4.5001 8.9674 8.9674 9.1598 9.1598 9.1840 9.1840 10.3569 10.3569 10.6897 10.6897 k =-0.5000 0.3076 0.2417 ( 4896 PWs) bands (ev): -12.5118 -12.5118 -12.3856 -12.3856 -11.6139 -11.6139 -9.7645 -9.7645 -9.7287 -9.7287 -9.4216 -9.4216 -3.5281 -3.5281 -3.3408 -3.3408 -2.9012 -2.9012 -0.1051 -0.1051 -0.0855 -0.0855 0.0232 0.0232 0.3908 0.3908 0.7678 0.7678 1.5803 1.5803 1.7659 1.7659 1.8172 1.8172 2.4400 2.4400 2.8739 2.8739 3.3310 3.3310 3.7327 3.7327 3.9143 3.9143 4.3227 4.3227 4.5159 4.5159 8.9984 8.9984 9.1001 9.1001 9.2457 9.2457 10.3520 10.3520 10.7331 10.7331 k =-0.5000 0.3076 0.2244 ( 4902 PWs) bands (ev): -12.5158 -12.5158 -12.3844 -12.3844 -11.6426 -11.6426 -9.7713 -9.7713 -9.6682 -9.6682 -9.4143 -9.4143 -3.6222 -3.6222 -3.3056 -3.3056 -2.8412 -2.8412 -0.1772 -0.1772 -0.0615 -0.0615 -0.0278 -0.0278 0.3640 0.3640 0.7454 0.7454 1.5683 1.5683 1.7919 1.7919 1.8484 1.8484 2.4871 2.4871 2.8583 2.8583 3.3401 3.3401 3.7287 3.7287 3.9015 3.9015 4.3347 4.3347 4.5312 4.5312 9.0264 9.0264 9.0439 9.0439 9.3068 9.3068 10.3465 10.3465 10.7821 10.7821 k =-0.5000 0.3076 0.2072 ( 4910 PWs) bands (ev): -12.5197 -12.5197 -12.3834 -12.3834 -11.6694 -11.6694 -9.7777 -9.7777 -9.6098 -9.6098 -9.4074 -9.4074 -3.7120 -3.7120 -3.2694 -3.2694 -2.7800 -2.7800 -0.2524 -0.2524 -0.1386 -0.1386 0.0200 0.0200 0.3391 0.3391 0.7259 0.7259 1.5573 1.5573 1.8182 1.8182 1.8778 1.8778 2.5319 2.5319 2.8442 2.8442 3.3491 3.3491 3.7242 3.7242 3.8872 3.8872 4.3466 4.3466 4.5457 4.5457 8.9881 8.9881 9.0546 9.0546 9.3666 9.3666 10.3408 10.3408 10.8362 10.8362 k =-0.5000 0.3076 0.1899 ( 4910 PWs) bands (ev): -12.5233 -12.5233 -12.3824 -12.3824 -11.6940 -11.6940 -9.7836 -9.7836 -9.5540 -9.5540 -9.4011 -9.4011 -3.7970 -3.7970 -3.2325 -3.2325 -2.7181 -2.7181 -0.3282 -0.3282 -0.2167 -0.2167 0.0649 0.0649 0.3161 0.3161 0.7092 0.7092 1.5472 1.5472 1.8446 1.8446 1.9055 1.9055 2.5742 2.5742 2.8316 2.8316 3.3578 3.3578 3.7194 3.7194 3.8716 3.8716 4.3583 4.3583 4.5595 4.5595 8.9372 8.9372 9.0788 9.0788 9.4246 9.4246 10.3350 10.3350 10.8945 10.8945 k =-0.5000 0.3076 0.1726 ( 4914 PWs) bands (ev): -12.5267 -12.5267 -12.3816 -12.3816 -11.7165 -11.7165 -9.7891 -9.7891 -9.5012 -9.5012 -9.3952 -9.3952 -3.8767 -3.8767 -3.1954 -3.1954 -2.6560 -2.6560 -0.4038 -0.4038 -0.2926 -0.2926 0.1046 0.1046 0.2951 0.2951 0.6956 0.6956 1.5381 1.5381 1.8705 1.8705 1.9311 1.9311 2.6137 2.6137 2.8204 2.8204 3.3662 3.3662 3.7142 3.7142 3.8551 3.8551 4.3695 4.3695 4.5724 4.5724 8.8897 8.8897 9.1007 9.1007 9.4803 9.4803 10.3292 10.3292 10.9564 10.9564 k =-0.5000 0.3076 0.1554 ( 4910 PWs) bands (ev): -12.5298 -12.5298 -12.3809 -12.3809 -11.7369 -11.7369 -9.7941 -9.7941 -9.4519 -9.4519 -9.3896 -9.3896 -3.9507 -3.9507 -3.1588 -3.1588 -2.5942 -2.5942 -0.4785 -0.4785 -0.3654 -0.3654 0.1390 0.1390 0.2760 0.2760 0.6848 0.6848 1.5299 1.5299 1.8956 1.8956 1.9548 1.9548 2.6502 2.6502 2.8106 2.8106 3.3742 3.3742 3.7090 3.7090 3.8382 3.8382 4.3801 4.3801 4.5844 4.5844 8.8459 8.8459 9.1204 9.1204 9.5331 9.5331 10.3236 10.3236 11.0205 11.0205 k =-0.5000 0.3076 0.1381 ( 4898 PWs) bands (ev): -12.5326 -12.5326 -12.3802 -12.3802 -11.7553 -11.7553 -9.7986 -9.7986 -9.4073 -9.4073 -9.3837 -9.3837 -4.0186 -4.0186 -3.1230 -3.1230 -2.5334 -2.5334 -0.5513 -0.5513 -0.4343 -0.4343 0.1680 0.1680 0.2590 0.2590 0.6769 0.6769 1.5228 1.5228 1.9195 1.9195 1.9763 1.9763 2.6835 2.6835 2.8020 2.8020 3.3817 3.3817 3.7038 3.7038 3.8214 3.8214 4.3899 4.3899 4.5953 4.5953 8.8062 8.8062 9.1378 9.1378 9.5824 9.5824 10.3184 10.3184 11.0829 11.0829 k =-0.5000 0.3076 0.1208 ( 4900 PWs) bands (ev): -12.5351 -12.5351 -12.3797 -12.3797 -11.7714 -11.7714 -9.8025 -9.8025 -9.3833 -9.3833 -9.3618 -9.3618 -4.0798 -4.0798 -3.0890 -3.0890 -2.4744 -2.4744 -0.6211 -0.6211 -0.4982 -0.4982 0.1917 0.1917 0.2441 0.2441 0.6716 0.6716 1.5166 1.5166 1.9417 1.9417 1.9956 1.9956 2.7134 2.7134 2.7948 2.7948 3.3887 3.3887 3.6989 3.6989 3.8050 3.8050 4.3988 4.3988 4.6051 4.6051 8.7706 8.7706 9.1529 9.1529 9.6277 9.6277 10.3136 10.3136 11.1021 11.1021 k =-0.5000 0.3076 0.1036 ( 4902 PWs) bands (ev): -12.5374 -12.5374 -12.3793 -12.3793 -11.7855 -11.7855 -9.8060 -9.8060 -9.3784 -9.3784 -9.3260 -9.3260 -4.1339 -4.1339 -3.0572 -3.0572 -2.4184 -2.4184 -0.6868 -0.6868 -0.5563 -0.5563 0.2098 0.2098 0.2321 0.2321 0.6685 0.6685 1.5113 1.5113 1.9619 1.9619 2.0126 2.0126 2.7394 2.7394 2.7889 2.7889 3.3950 3.3950 3.6942 3.6942 3.7895 3.7895 4.4067 4.4067 4.6137 4.6137 8.7394 8.7394 9.1659 9.1659 9.6685 9.6685 10.3093 10.3093 11.0863 11.0863 k =-0.5000 0.3076 0.0863 ( 4904 PWs) bands (ev): -12.5393 -12.5393 -12.3789 -12.3789 -11.7974 -11.7974 -9.8089 -9.8089 -9.3750 -9.3750 -9.2942 -9.2942 -4.1805 -4.1805 -3.0286 -3.0286 -2.3666 -2.3666 -0.7470 -0.7470 -0.6076 -0.6076 0.2155 0.2155 0.2304 0.2304 0.6671 0.6671 1.5068 1.5068 1.9798 1.9798 2.0272 2.0272 2.7608 2.7608 2.7850 2.7850 3.4006 3.4006 3.6901 3.6901 3.7754 3.7754 4.4136 4.4136 4.6211 4.6211 8.7128 8.7128 9.1768 9.1768 9.7042 9.7042 10.3056 10.3056 11.0699 11.0699 k =-0.5000 0.3076 0.0691 ( 4908 PWs) bands (ev): -12.5408 -12.5408 -12.3786 -12.3786 -11.8071 -11.8071 -9.8113 -9.8113 -9.3724 -9.3724 -9.2675 -9.2675 -4.2192 -4.2192 -3.0038 -3.0038 -2.3206 -2.3206 -0.8001 -0.8001 -0.6512 -0.6512 0.2085 0.2085 0.2396 0.2396 0.6670 0.6670 1.5033 1.5033 1.9949 1.9949 2.0393 2.0393 2.7729 2.7729 2.7875 2.7875 3.4053 3.4053 3.6865 3.6865 3.7631 3.7631 4.4192 4.4192 4.6272 4.6272 8.6908 8.6908 9.1856 9.1856 9.7343 9.7343 10.3025 10.3025 11.0552 11.0552 k =-0.5000 0.3076 0.0518 ( 4916 PWs) bands (ev): -12.5421 -12.5421 -12.3784 -12.3784 -11.8147 -11.8147 -9.8132 -9.8132 -9.3703 -9.3703 -9.2463 -9.2463 -4.2497 -4.2497 -2.9836 -2.9836 -2.2820 -2.2820 -0.8441 -0.8441 -0.6861 -0.6861 0.2018 0.2018 0.2473 0.2473 0.6675 0.6675 1.5005 1.5005 2.0070 2.0070 2.0488 2.0488 2.7731 2.7731 2.7988 2.7988 3.4091 3.4091 3.6836 3.6836 3.7530 3.7530 4.4237 4.4237 4.6320 4.6320 8.6736 8.6736 9.1924 9.1924 9.7583 9.7583 10.3000 10.3000 11.0431 11.0431 k =-0.5000 0.3076 0.0345 ( 4924 PWs) bands (ev): -12.5430 -12.5430 -12.3782 -12.3782 -11.8201 -11.8201 -9.8146 -9.8146 -9.3689 -9.3689 -9.2310 -9.2310 -4.2717 -4.2717 -2.9687 -2.9687 -2.2527 -2.2527 -0.8774 -0.8774 -0.7117 -0.7117 0.1968 0.1968 0.2526 0.2526 0.6683 0.6683 1.4986 1.4986 2.0159 2.0159 2.0556 2.0556 2.7716 2.7716 2.8087 2.8087 3.4120 3.4120 3.6815 3.6815 3.7455 3.7455 4.4269 4.4269 4.6355 4.6355 8.6612 8.6612 9.1972 9.1972 9.7757 9.7757 10.2983 10.2983 11.0341 11.0341 k =-0.5000 0.3076 0.0173 ( 4924 PWs) bands (ev): -12.5435 -12.5435 -12.3781 -12.3781 -11.8234 -11.8234 -9.8154 -9.8154 -9.3680 -9.3680 -9.2218 -9.2218 -4.2849 -4.2849 -2.9595 -2.9595 -2.2343 -2.2343 -0.8982 -0.8982 -0.7272 -0.7272 0.1938 0.1938 0.2557 0.2557 0.6689 0.6689 1.4974 1.4974 2.0212 2.0212 2.0597 2.0597 2.7705 2.7705 2.8148 2.8148 3.4137 3.4137 3.6802 3.6802 3.7409 3.7409 4.4288 4.4288 4.6375 4.6375 8.6538 8.6538 9.2001 9.2001 9.7864 9.7864 10.2972 10.2972 11.0286 11.0286 k =-0.5000 0.3076 0.0000 ( 4924 PWs) bands (ev): -12.5437 -12.5437 -12.3781 -12.3781 -11.8244 -11.8244 -9.8156 -9.8156 -9.3677 -9.3677 -9.2187 -9.2187 -4.2894 -4.2894 -2.9564 -2.9564 -2.2280 -2.2280 -0.9053 -0.9053 -0.7325 -0.7325 0.1928 0.1928 0.2567 0.2567 0.6691 0.6691 1.4970 1.4970 2.0230 2.0230 2.0611 2.0611 2.7701 2.7701 2.8169 2.8169 3.4143 3.4143 3.6798 3.6798 3.7394 3.7394 4.4295 4.4295 4.6382 4.6382 8.6513 8.6513 9.2011 9.2011 9.7899 9.7899 10.2969 10.2969 11.0267 11.0267 k = 0.0000 0.0000 0.5351 ( 4852 PWs) bands (ev): -12.6576 -12.6576 -12.6576 -12.6576 -10.4698 -10.4698 -10.4698 -10.4698 -9.4993 -9.4993 -9.4993 -9.4993 -4.0728 -4.0728 -4.0728 -4.0728 -1.4418 -1.4418 -1.4418 -1.4418 0.2729 0.2729 0.2729 0.2729 0.4390 0.4390 0.4390 0.4390 1.8451 1.8451 1.8451 1.8451 2.0628 2.0628 2.0628 2.0628 3.5253 3.5253 3.5253 3.5253 4.2188 4.2188 4.2188 4.2188 4.3103 4.3103 4.3103 4.3103 8.5667 8.5667 8.5667 8.5667 9.2243 9.2243 9.2243 9.2243 11.2476 11.2476 k =-0.0147 0.0090 0.5351 ( 4858 PWs) bands (ev): -12.6572 -12.6572 -12.6571 -12.6571 -10.4706 -10.4706 -10.4705 -10.4705 -9.4995 -9.4995 -9.4994 -9.4994 -4.0720 -4.0720 -4.0717 -4.0717 -1.4422 -1.4422 -1.4420 -1.4420 0.2708 0.2708 0.2773 0.2773 0.4366 0.4366 0.4429 0.4429 1.8426 1.8426 1.8444 1.8444 2.0631 2.0631 2.0649 2.0649 3.5244 3.5244 3.5252 3.5252 4.2083 4.2083 4.2134 4.2134 4.3137 4.3137 4.3179 4.3179 8.5681 8.5681 8.5704 8.5704 9.2220 9.2220 9.2249 9.2249 11.2481 11.2481 k =-0.0294 0.0181 0.5351 ( 4856 PWs) bands (ev): -12.6560 -12.6560 -12.6559 -12.6559 -10.4729 -10.4729 -10.4727 -10.4727 -9.5001 -9.5001 -9.4998 -9.4998 -4.0695 -4.0695 -4.0687 -4.0687 -1.4432 -1.4432 -1.4427 -1.4427 0.2708 0.2708 0.2838 0.2838 0.4359 0.4359 0.4485 0.4485 1.8371 1.8371 1.8406 1.8406 2.0659 2.0659 2.0693 2.0693 3.5226 3.5226 3.5241 3.5241 4.1870 4.1870 4.1949 4.1949 4.3252 4.3252 4.3314 4.3314 8.5744 8.5744 8.5791 8.5791 9.2182 9.2182 9.2240 9.2240 11.2519 11.2519 k =-0.0441 0.0271 0.5351 ( 4868 PWs) bands (ev): -12.6540 -12.6540 -12.6538 -12.6538 -10.4767 -10.4767 -10.4763 -10.4763 -9.5011 -9.5011 -9.5006 -9.5006 -4.0651 -4.0651 -4.0640 -4.0640 -1.4448 -1.4448 -1.4441 -1.4441 0.2729 0.2729 0.2924 0.2924 0.4368 0.4368 0.4556 0.4556 1.8289 1.8289 1.8339 1.8339 2.0707 2.0707 2.0754 2.0754 3.5198 3.5198 3.5220 3.5220 4.1596 4.1596 4.1691 4.1691 4.3393 4.3393 4.3462 4.3462 8.5854 8.5854 8.5926 8.5926 9.2129 9.2129 9.2217 9.2217 11.2588 11.2588 k =-0.0588 0.0362 0.5351 ( 4876 PWs) bands (ev): -12.6512 -12.6512 -12.6509 -12.6509 -10.4818 -10.4818 -10.4813 -10.4813 -9.5024 -9.5024 -9.5018 -9.5018 -4.0589 -4.0589 -4.0574 -4.0574 -1.4469 -1.4469 -1.4460 -1.4460 0.2770 0.2770 0.3028 0.3028 0.4397 0.4397 0.4646 0.4646 1.8187 1.8187 1.8246 1.8246 2.0771 2.0771 2.0828 2.0828 3.5161 3.5161 3.5191 3.5191 4.1286 4.1286 4.1390 4.1390 4.3530 4.3530 4.3601 4.3601 8.6007 8.6007 8.6104 8.6104 9.2065 9.2065 9.2185 9.2185 11.2685 11.2685 k =-0.0735 0.0452 0.5351 ( 4876 PWs) bands (ev): -12.6476 -12.6476 -12.6472 -12.6472 -10.4884 -10.4884 -10.4877 -10.4877 -9.5041 -9.5041 -9.5034 -9.5034 -4.0509 -4.0509 -4.0491 -4.0491 -1.4496 -1.4496 -1.4486 -1.4486 0.2828 0.2828 0.3147 0.3147 0.4449 0.4449 0.4754 0.4754 1.8066 1.8066 1.8131 1.8131 2.0843 2.0843 2.0908 2.0908 3.5117 3.5117 3.5154 3.5154 4.0952 4.0952 4.1064 4.1064 4.3653 4.3653 4.3723 4.3723 8.6196 8.6196 8.6321 8.6321 9.1993 9.1993 9.2147 9.2147 11.2806 11.2806 k =-0.0882 0.0543 0.5351 ( 4872 PWs) bands (ev): -12.6433 -12.6433 -12.6428 -12.6428 -10.4962 -10.4962 -10.4955 -10.4955 -9.5061 -9.5061 -9.5052 -9.5052 -4.0412 -4.0412 -4.0391 -4.0391 -1.4530 -1.4530 -1.4517 -1.4517 0.2903 0.2903 0.3276 0.3276 0.4529 0.4529 0.4885 0.4885 1.7929 1.7929 1.7998 1.7998 2.0918 2.0918 2.0988 2.0988 3.5066 3.5066 3.5109 3.5109 4.0602 4.0602 4.0719 4.0719 4.3757 4.3757 4.3826 4.3826 8.6413 8.6413 8.6568 8.6568 9.1921 9.1921 9.2110 9.2110 11.2945 11.2945 k =-0.1029 0.0633 0.5351 ( 4872 PWs) bands (ev): -12.6382 -12.6382 -12.6376 -12.6376 -10.5054 -10.5054 -10.5045 -10.5045 -9.5084 -9.5084 -9.5074 -9.5074 -4.0298 -4.0298 -4.0274 -4.0274 -1.4569 -1.4569 -1.4555 -1.4555 0.2991 0.2991 0.3409 0.3409 0.4643 0.4643 0.5038 0.5038 1.7780 1.7780 1.7850 1.7850 2.0988 2.0988 2.1064 2.1064 3.5009 3.5009 3.5058 3.5058 4.0242 4.0242 4.0364 4.0364 4.3841 4.3841 4.3908 4.3908 8.6647 8.6647 8.6836 8.6836 9.1857 9.1857 9.2083 9.2083 11.3096 11.3096 k =-0.1176 0.0724 0.5351 ( 4862 PWs) bands (ev): -12.6324 -12.6324 -12.6317 -12.6317 -10.5157 -10.5157 -10.5147 -10.5147 -9.5110 -9.5110 -9.5100 -9.5100 -4.0168 -4.0168 -4.0141 -4.0141 -1.4614 -1.4614 -1.4598 -1.4598 0.3090 0.3090 0.3539 0.3539 0.4797 0.4797 0.5217 0.5217 1.7619 1.7619 1.7690 1.7690 2.1048 2.1048 2.1129 2.1129 3.4949 3.4949 3.5003 3.5003 3.9877 3.9877 4.0003 4.0003 4.3905 4.3905 4.3970 4.3970 8.6888 8.6888 8.7110 8.7110 9.1811 9.1811 9.2076 9.2076 11.3250 11.3250 k =-0.1324 0.0814 0.5351 ( 4866 PWs) bands (ev): -12.6259 -12.6259 -12.6252 -12.6252 -10.5272 -10.5272 -10.5261 -10.5261 -9.5140 -9.5140 -9.5128 -9.5128 -4.0022 -4.0022 -3.9992 -3.9992 -1.4664 -1.4664 -1.4648 -1.4648 0.3199 0.3199 0.3664 0.3664 0.4993 0.4993 0.5423 0.5423 1.7446 1.7446 1.7518 1.7518 2.1093 2.1093 2.1179 2.1179 3.4886 3.4886 3.4945 3.4945 3.9512 3.9512 3.9641 3.9641 4.3949 4.3949 4.4012 4.4012 8.7119 8.7119 8.7374 8.7374 9.1798 9.1798 9.2101 9.2101 11.3399 11.3399 k =-0.1471 0.0905 0.5351 ( 4862 PWs) bands (ev): -12.6187 -12.6187 -12.6180 -12.6180 -10.5397 -10.5397 -10.5385 -10.5385 -9.5172 -9.5172 -9.5160 -9.5160 -3.9862 -3.9862 -3.9829 -3.9829 -1.4720 -1.4720 -1.4703 -1.4703 0.3314 0.3314 0.3781 0.3781 0.5234 0.5234 0.5657 0.5657 1.7262 1.7262 1.7336 1.7336 2.1117 2.1117 2.1211 2.1211 3.4823 3.4823 3.4886 3.4886 3.9153 3.9153 3.9283 3.9283 4.3974 4.3974 4.4036 4.4036 8.7325 8.7325 8.7610 8.7610 9.1834 9.1834 9.2170 9.2170 11.3533 11.3533 k =-0.1618 0.0995 0.5351 ( 4866 PWs) bands (ev): -12.6110 -12.6110 -12.6102 -12.6102 -10.5531 -10.5531 -10.5518 -10.5518 -9.5207 -9.5207 -9.5194 -9.5194 -3.9687 -3.9687 -3.9652 -3.9652 -1.4782 -1.4782 -1.4764 -1.4764 0.3435 0.3435 0.3891 0.3891 0.5516 0.5516 0.5920 0.5920 1.7066 1.7066 1.7145 1.7145 2.1117 2.1117 2.1219 2.1219 3.4761 3.4761 3.4829 3.4829 3.8803 3.8803 3.8934 3.8934 4.3982 4.3982 4.4042 4.4042 8.7492 8.7492 8.7799 8.7799 9.1936 9.1936 9.2297 9.2297 11.3641 11.3641 k =-0.1765 0.1086 0.5351 ( 4878 PWs) bands (ev): -12.6027 -12.6027 -12.6018 -12.6018 -10.5673 -10.5673 -10.5660 -10.5660 -9.5244 -9.5244 -9.5231 -9.5231 -3.9500 -3.9500 -3.9463 -3.9463 -1.4848 -1.4848 -1.4830 -1.4830 0.3560 0.3560 0.3998 0.3998 0.5837 0.5837 0.6212 0.6212 1.6857 1.6857 1.6945 1.6945 2.1089 2.1089 2.1202 2.1202 3.4702 3.4702 3.4773 3.4773 3.8467 3.8467 3.8598 3.8598 4.3973 4.3973 4.4032 4.4032 8.7608 8.7608 8.7924 8.7924 9.2116 9.2116 9.2490 9.2490 11.3713 11.3713 k =-0.1912 0.1176 0.5351 ( 4878 PWs) bands (ev): -12.5939 -12.5939 -12.5929 -12.5929 -10.5823 -10.5823 -10.5809 -10.5809 -9.5283 -9.5283 -9.5270 -9.5270 -3.9301 -3.9301 -3.9262 -3.9262 -1.4920 -1.4920 -1.4902 -1.4902 0.3689 0.3689 0.4104 0.4104 0.6191 0.6191 0.6533 0.6533 1.6635 1.6635 1.6735 1.6735 2.1033 2.1033 2.1156 2.1156 3.4647 3.4647 3.4721 3.4721 3.8149 3.8149 3.8279 3.8279 4.3950 4.3950 4.4009 4.4009 8.7669 8.7669 8.7980 8.7980 9.2379 9.2379 9.2752 9.2752 11.3739 11.3739 k =-0.2059 0.1267 0.5351 ( 4882 PWs) bands (ev): -12.5846 -12.5846 -12.5836 -12.5836 -10.5979 -10.5979 -10.5964 -10.5964 -9.5324 -9.5324 -9.5311 -9.5311 -3.9092 -3.9092 -3.9052 -3.9052 -1.4995 -1.4995 -1.4977 -1.4977 0.3822 0.3822 0.4213 0.4213 0.6576 0.6576 0.6880 0.6880 1.6399 1.6399 1.6515 1.6515 2.0945 2.0945 2.1081 2.1081 3.4595 3.4595 3.4672 3.4672 3.7854 3.7854 3.7981 3.7981 4.3914 4.3914 4.3972 4.3972 8.7674 8.7674 8.7971 8.7971 9.2719 9.2719 9.3079 9.3079 11.3712 11.3712 k =-0.2206 0.1357 0.5351 ( 4886 PWs) bands (ev): -12.5750 -12.5750 -12.5740 -12.5740 -10.6139 -10.6139 -10.6124 -10.6124 -9.5367 -9.5367 -9.5353 -9.5353 -3.8874 -3.8874 -3.8832 -3.8832 -1.5074 -1.5074 -1.5056 -1.5056 0.3959 0.3959 0.4325 0.4325 0.6986 0.6986 0.7251 0.7251 1.6151 1.6151 1.6284 1.6284 2.0828 2.0828 2.0977 2.0977 3.4545 3.4545 3.4623 3.4623 3.7586 3.7586 3.7709 3.7709 4.3866 4.3866 4.3924 4.3924 8.7631 8.7631 8.7906 8.7906 9.3123 9.3123 9.3463 9.3463 11.3627 11.3627 k =-0.2353 0.1448 0.5351 ( 4890 PWs) bands (ev): -12.5650 -12.5650 -12.5640 -12.5640 -10.6303 -10.6303 -10.6288 -10.6288 -9.5411 -9.5411 -9.5397 -9.5397 -3.8648 -3.8648 -3.8606 -3.8606 -1.5157 -1.5157 -1.5139 -1.5139 0.4099 0.4099 0.4443 0.4443 0.7418 0.7418 0.7645 0.7645 1.5888 1.5888 1.6041 1.6041 2.0682 2.0682 2.0844 2.0844 3.4492 3.4492 3.4571 3.4571 3.7351 3.7351 3.7469 3.7469 4.3808 4.3808 4.3865 4.3865 8.7548 8.7548 8.7797 8.7797 9.3577 9.3577 9.3895 9.3895 11.3481 11.3481 k =-0.2500 0.1538 0.5351 ( 4898 PWs) bands (ev): -12.5549 -12.5549 -12.5538 -12.5538 -10.6470 -10.6470 -10.6454 -10.6454 -9.5455 -9.5455 -9.5442 -9.5442 -3.8417 -3.8417 -3.8374 -3.8374 -1.5241 -1.5241 -1.5223 -1.5223 0.4244 0.4244 0.4568 0.4568 0.7868 0.7868 0.8059 0.8059 1.5612 1.5612 1.5785 1.5785 2.0511 2.0511 2.0686 2.0686 3.4431 3.4431 3.4509 3.4509 3.7155 3.7155 3.7266 3.7266 4.3741 4.3741 4.3799 4.3799 8.7433 8.7433 8.7658 8.7658 9.4068 9.4068 9.4362 9.4362 11.3278 11.3278 k =-0.2647 0.1629 0.5351 ( 4896 PWs) bands (ev): -12.5445 -12.5445 -12.5434 -12.5434 -10.6637 -10.6637 -10.6621 -10.6621 -9.5500 -9.5500 -9.5487 -9.5487 -3.8182 -3.8182 -3.8139 -3.8139 -1.5327 -1.5327 -1.5310 -1.5310 0.4394 0.4394 0.4700 0.4700 0.8333 0.8333 0.8489 0.8489 1.5322 1.5322 1.5517 1.5517 2.0316 2.0316 2.0505 2.0505 3.4356 3.4356 3.4431 3.4431 3.7004 3.7004 3.7107 3.7107 4.3666 4.3666 4.3725 4.3725 8.7295 8.7295 8.7496 8.7496 9.4586 9.4586 9.4856 9.4856 11.3023 11.3023 k =-0.2794 0.1719 0.5351 ( 4900 PWs) bands (ev): -12.5341 -12.5341 -12.5330 -12.5330 -10.6804 -10.6804 -10.6788 -10.6788 -9.5545 -9.5545 -9.5532 -9.5532 -3.7945 -3.7945 -3.7902 -3.7902 -1.5414 -1.5414 -1.5397 -1.5397 0.4549 0.4549 0.4840 0.4840 0.8808 0.8808 0.8932 0.8932 1.5020 1.5020 1.5237 1.5237 2.0104 2.0104 2.0305 2.0305 3.4259 3.4259 3.4331 3.4331 3.6901 3.6901 3.6997 3.6997 4.3585 4.3585 4.3645 4.3645 8.7142 8.7142 8.7321 8.7321 9.5119 9.5119 9.5369 9.5369 11.2723 11.2723 k =-0.2941 0.1809 0.5351 ( 4892 PWs) bands (ev): -12.5236 -12.5236 -12.5226 -12.5226 -10.6969 -10.6969 -10.6954 -10.6954 -9.5589 -9.5589 -9.5577 -9.5577 -3.7708 -3.7708 -3.7665 -3.7665 -1.5501 -1.5501 -1.5484 -1.5484 0.4710 0.4710 0.4988 0.4988 0.9287 0.9287 0.9385 0.9385 1.4707 1.4707 1.4946 1.4946 1.9878 1.9878 2.0092 2.0092 3.4137 3.4137 3.4205 3.4205 3.6847 3.6847 3.6937 3.6937 4.3500 4.3500 4.3560 4.3560 8.6978 8.6978 8.7137 8.7137 9.5663 9.5663 9.5893 9.5893 11.2385 11.2385 k =-0.3088 0.1900 0.5351 ( 4892 PWs) bands (ev): -12.5133 -12.5133 -12.5123 -12.5123 -10.7131 -10.7131 -10.7116 -10.7116 -9.5633 -9.5633 -9.5621 -9.5621 -3.7473 -3.7473 -3.7432 -3.7432 -1.5587 -1.5587 -1.5571 -1.5571 0.4876 0.4876 0.5144 0.5144 0.9762 0.9762 0.9847 0.9847 1.4387 1.4387 1.4648 1.4648 1.9642 1.9642 1.9867 1.9867 3.3989 3.3989 3.4055 3.4055 3.6840 3.6840 3.6925 3.6925 4.3412 4.3412 4.3472 4.3472 8.6810 8.6810 8.6951 8.6951 9.6211 9.6211 9.6422 9.6422 11.2018 11.2018 k =-0.3235 0.1990 0.5351 ( 4892 PWs) bands (ev): -12.5032 -12.5032 -12.5022 -12.5022 -10.7288 -10.7288 -10.7274 -10.7274 -9.5675 -9.5675 -9.5664 -9.5664 -3.7243 -3.7243 -3.7203 -3.7203 -1.5671 -1.5671 -1.5656 -1.5656 0.5048 0.5048 0.5309 0.5309 1.0222 1.0222 1.0313 1.0313 1.4064 1.4064 1.4346 1.4346 1.9400 1.9400 1.9636 1.9636 3.3819 3.3819 3.3883 3.3883 3.6873 3.6873 3.6955 3.6955 4.3322 4.3322 4.3382 4.3382 8.6640 8.6640 8.6765 8.6765 9.6759 9.6759 9.6953 9.6953 11.1628 11.1628 k =-0.3382 0.2081 0.5351 ( 4900 PWs) bands (ev): -12.4934 -12.4934 -12.4924 -12.4924 -10.7440 -10.7440 -10.7426 -10.7426 -9.5715 -9.5715 -9.5705 -9.5705 -3.7020 -3.7020 -3.6981 -3.6981 -1.5753 -1.5753 -1.5738 -1.5738 0.5226 0.5226 0.5480 0.5480 1.0658 1.0658 1.0775 1.0775 1.3746 1.3746 1.4051 1.4051 1.9156 1.9156 1.9401 1.9401 3.3632 3.3632 3.3695 3.3695 3.6939 3.6939 3.7018 3.7018 4.3231 4.3231 4.3292 4.3292 8.6473 8.6473 8.6583 8.6583 9.7301 9.7301 9.7480 9.7480 11.1223 11.1223 k =-0.3529 0.2171 0.5351 ( 4908 PWs) bands (ev): -12.4840 -12.4840 -12.4830 -12.4830 -10.7584 -10.7584 -10.7571 -10.7571 -9.5754 -9.5754 -9.5745 -9.5745 -3.6805 -3.6805 -3.6769 -3.6769 -1.5831 -1.5831 -1.5817 -1.5817 0.5410 0.5410 0.5658 0.5658 1.1052 1.1052 1.1215 1.1215 1.3449 1.3449 1.3780 1.3780 1.8911 1.8911 1.9164 1.9164 3.3436 3.3436 3.3497 3.3497 3.7028 3.7028 3.7105 3.7105 4.3141 4.3141 4.3201 4.3201 8.6312 8.6312 8.6408 8.6408 9.7835 9.7835 9.8000 9.8000 11.0808 11.0808 k =-0.3676 0.2262 0.5351 ( 4914 PWs) bands (ev): -12.4750 -12.4750 -12.4742 -12.4742 -10.7719 -10.7719 -10.7707 -10.7707 -9.5790 -9.5790 -9.5781 -9.5781 -3.6603 -3.6603 -3.6568 -3.6568 -1.5905 -1.5905 -1.5891 -1.5891 0.5599 0.5599 0.5841 0.5841 1.1371 1.1371 1.1596 1.1596 1.3208 1.3208 1.3568 1.3568 1.8669 1.8669 1.8927 1.8927 3.3236 3.3236 3.3294 3.3294 3.7134 3.7134 3.7208 3.7208 4.3054 4.3054 4.3113 4.3113 8.6158 8.6158 8.6243 8.6243 9.8357 9.8357 9.8508 9.8508 11.0390 11.0390 k =-0.3824 0.2352 0.5351 ( 4910 PWs) bands (ev): -12.4667 -12.4667 -12.4659 -12.4659 -10.7844 -10.7844 -10.7833 -10.7833 -9.5823 -9.5823 -9.5815 -9.5815 -3.6413 -3.6413 -3.6381 -3.6381 -1.5974 -1.5974 -1.5961 -1.5961 0.5792 0.5792 0.6028 0.6028 1.1559 1.1559 1.1840 1.1840 1.3101 1.3101 1.3472 1.3472 1.8431 1.8431 1.8692 1.8692 3.3039 3.3039 3.3094 3.3094 3.7249 3.7249 3.7319 3.7319 4.2971 4.2971 4.3027 4.3027 8.6016 8.6016 8.6089 8.6089 9.8862 9.8862 9.9001 9.9001 10.9975 10.9975 k =-0.3971 0.2443 0.5351 ( 4908 PWs) bands (ev): -12.4591 -12.4591 -12.4583 -12.4583 -10.7958 -10.7958 -10.7947 -10.7947 -9.5853 -9.5853 -9.5846 -9.5846 -3.6240 -3.6240 -3.6211 -3.6211 -1.6036 -1.6036 -1.6025 -1.6025 0.5988 0.5988 0.6216 0.6216 1.1569 1.1569 1.1855 1.1855 1.3215 1.3215 1.3544 1.3544 1.8197 1.8197 1.8458 1.8458 3.2851 3.2851 3.2901 3.2901 3.7367 3.7367 3.7431 3.7431 4.2893 4.2893 4.2946 4.2946 8.5885 8.5885 8.5948 8.5948 9.9347 9.9347 9.9472 9.9472 10.9568 10.9568 k =-0.4118 0.2533 0.5351 ( 4912 PWs) bands (ev): -12.4523 -12.4523 -12.4516 -12.4516 -10.8059 -10.8059 -10.8050 -10.8050 -9.5880 -9.5880 -9.5874 -9.5874 -3.6084 -3.6084 -3.6059 -3.6059 -1.6092 -1.6092 -1.6082 -1.6082 0.6184 0.6184 0.6401 0.6401 1.1433 1.1433 1.1695 1.1695 1.3492 1.3492 1.3760 1.3760 1.7969 1.7969 1.8226 1.8226 3.2676 3.2676 3.2720 3.2720 3.7481 3.7481 3.7540 3.7540 4.2822 4.2822 4.2871 4.2871 8.5769 8.5769 8.5822 8.5822 9.9804 9.9804 9.9916 9.9916 10.9179 10.9179 k =-0.4265 0.2624 0.5351 ( 4912 PWs) bands (ev): -12.4463 -12.4463 -12.4457 -12.4457 -10.8146 -10.8146 -10.8138 -10.8138 -9.5903 -9.5903 -9.5898 -9.5898 -3.5949 -3.5949 -3.5927 -3.5927 -1.6140 -1.6140 -1.6131 -1.6131 0.6376 0.6376 0.6579 0.6579 1.1231 1.1231 1.1466 1.1466 1.3823 1.3823 1.4048 1.4048 1.7749 1.7749 1.7997 1.7997 3.2519 3.2519 3.2558 3.2558 3.7588 3.7588 3.7639 3.7639 4.2760 4.2760 4.2803 4.2803 8.5669 8.5669 8.5712 8.5712 10.0226 10.0226 10.0325 10.0325 10.8815 10.8815 k =-0.4412 0.2714 0.5351 ( 4906 PWs) bands (ev): -12.4413 -12.4413 -12.4408 -12.4408 -10.8219 -10.8219 -10.8213 -10.8213 -9.5922 -9.5922 -9.5918 -9.5918 -3.5835 -3.5835 -3.5817 -3.5817 -1.6180 -1.6180 -1.6173 -1.6173 0.6560 0.6560 0.6740 0.6740 1.1019 1.1019 1.1224 1.1224 1.4154 1.4154 1.4350 1.4350 1.7543 1.7543 1.7775 1.7775 3.2385 3.2385 3.2417 3.2417 3.7683 3.7683 3.7725 3.7725 4.2708 4.2708 4.2744 4.2744 8.5586 8.5586 8.5620 8.5620 10.0603 10.0603 10.0687 10.0687 10.8489 10.8489 k =-0.4559 0.2805 0.5351 ( 4896 PWs) bands (ev): -12.4373 -12.4373 -12.4370 -12.4370 -10.8276 -10.8276 -10.8271 -10.8271 -9.5936 -9.5936 -9.5933 -9.5933 -3.5744 -3.5744 -3.5730 -3.5730 -1.6212 -1.6212 -1.6206 -1.6206 0.6728 0.6728 0.6877 0.6877 1.0830 1.0830 1.0998 1.0998 1.4459 1.4459 1.4628 1.4628 1.7359 1.7359 1.7563 1.7563 3.2278 3.2278 3.2302 3.2302 3.7762 3.7762 3.7795 3.7795 4.2666 4.2666 4.2695 4.2695 8.5521 8.5521 8.5547 8.5547 10.0923 10.0923 10.0990 10.0990 10.8214 10.8214 k =-0.4706 0.2895 0.5351 ( 4890 PWs) bands (ev): -12.4344 -12.4344 -12.4342 -12.4342 -10.8317 -10.8317 -10.8314 -10.8314 -9.5947 -9.5947 -9.5945 -9.5945 -3.5677 -3.5677 -3.5668 -3.5668 -1.6234 -1.6234 -1.6231 -1.6231 0.6869 0.6869 0.6978 0.6978 1.0688 1.0688 1.0809 1.0809 1.4720 1.4720 1.4851 1.4851 1.7214 1.7214 1.7372 1.7372 3.2199 3.2199 3.2216 3.2216 3.7822 3.7822 3.7845 3.7845 4.2638 4.2638 4.2657 4.2657 8.5475 8.5475 8.5492 8.5492 10.1172 10.1172 10.1219 10.1219 10.8005 10.8005 k =-0.4853 0.2986 0.5351 ( 4896 PWs) bands (ev): -12.4326 -12.4326 -12.4325 -12.4325 -10.8342 -10.8342 -10.8340 -10.8340 -9.5953 -9.5953 -9.5952 -9.5952 -3.5636 -3.5636 -3.5632 -3.5632 -1.6248 -1.6248 -1.6246 -1.6246 0.6974 0.6974 0.7031 0.7031 1.0609 1.0609 1.0673 1.0673 1.4912 1.4912 1.4987 1.4987 1.7132 1.7132 1.7220 1.7220 3.2153 3.2153 3.2161 3.2161 3.7861 3.7861 3.7873 3.7873 4.2622 4.2622 4.2632 4.2632 8.5449 8.5449 8.5458 8.5458 10.1334 10.1334 10.1358 10.1358 10.7877 10.7877 k =-0.5000 0.3076 0.5351 ( 4904 PWs) bands (ev): -12.4320 -12.4320 -12.4320 -12.4320 -10.8350 -10.8350 -10.8350 -10.8350 -9.5955 -9.5955 -9.5955 -9.5955 -3.5621 -3.5621 -3.5621 -3.5621 -1.6251 -1.6251 -1.6251 -1.6251 0.7030 0.7030 0.7030 0.7030 1.0603 1.0603 1.0603 1.0603 1.5008 1.5008 1.5008 1.5008 1.7133 1.7133 1.7133 1.7133 3.2140 3.2140 3.2140 3.2140 3.7878 3.7878 3.7878 3.7878 4.2620 4.2620 4.2620 4.2620 8.5443 8.5443 8.5443 8.5443 10.1398 10.1398 10.1398 10.1398 10.7842 10.7842 Writing output data file Ge2N2O.save init_run : 2.43s CPU 11.30s WALL ( 1 calls) electrons : 950.84s CPU 971.56s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.05s WALL ( 1 calls) potinit : 0.26s CPU 1.48s WALL ( 1 calls) Called by electrons: c_bands : 950.78s CPU 970.16s WALL ( 1 calls) v_of_rho : 0.04s CPU 0.97s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.04s CPU 0.65s WALL ( 1 calls) newd : 0.17s CPU 0.41s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 1.38s WALL ( 358 calls) cegterg : 877.68s CPU 886.74s WALL ( 973 calls) Called by sum_band: Called by *egterg: h_psi : 336.71s CPU 348.64s WALL ( 17285 calls) s_psi : 26.77s CPU 27.56s WALL ( 17285 calls) g_psi : 0.97s CPU 1.21s WALL ( 15954 calls) cdiaghg : 377.59s CPU 373.65s WALL ( 16312 calls) cegterg:over : 78.10s CPU 77.18s WALL ( 15954 calls) cegterg:upda : 17.53s CPU 21.82s WALL ( 15954 calls) cegterg:last : 15.85s CPU 16.71s WALL ( 2370 calls) Called by h_psi: h_psi:vloc : 263.05s CPU 272.65s WALL ( 17285 calls) h_psi:vnl : 73.22s CPU 74.62s WALL ( 17285 calls) add_vuspsi : 20.92s CPU 24.71s WALL ( 17285 calls) General routines calbec : 52.23s CPU 49.79s WALL ( 17285 calls) fft : 0.57s CPU 1.16s WALL ( 19 calls) ffts : 0.01s CPU 0.01s WALL ( 4 calls) fftw : 247.36s CPU 254.04s WALL ( 1549180 calls) interpolate : 0.07s CPU 0.08s WALL ( 4 calls) davcio : 0.05s CPU 3.04s WALL ( 716 calls) Parallel routines fft_scatter : 155.93s CPU 163.51s WALL ( 1549203 calls) PWSCF : 17m 4.84s CPU 22m34.57s WALL This run was terminated on: 17:35:19 24Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=