Program PWSCF v.5.1.1 starts on 24Nov2015 at 17:14: 8 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 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: ./Si2N2O.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 46 26 7 1598 695 109 Max 48 27 8 1602 719 114 Sum 2215 1287 379 76767 33929 5363 bravais-lattice index = 14 lattice parameter (alat) = 9.7943 a.u. unit-cell volume = 779.9339 (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)= 9.794261 celldm(2)= 1.000000 celldm(3)= 0.929017 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.448962 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.448962 0.893551 0.000000 ) a(3) = ( 0.000000 0.000000 0.929017 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.502447 -0.000000 ) b(2) = ( 0.000000 1.119130 -0.000000 ) b(3) = ( 0.000000 0.000000 1.076407 ) PseudoPot. # 1 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. # 2 for Si read from file: /home/autes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 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 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for 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 O 6.00 15.99940 O( 1.00) Si 4.00 28.08550 Si( 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 ) ( 0.4645083 ) 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= 374 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 2) = ( 0.0086269 0.0139891 -0.0000000), wk = 0.0026738 k( 3) = ( 0.0172537 0.0279783 -0.0000000), wk = 0.0026738 k( 4) = ( 0.0258806 0.0419674 -0.0000000), wk = 0.0026738 k( 5) = ( 0.0345075 0.0559565 -0.0000000), wk = 0.0026738 k( 6) = ( 0.0431343 0.0699457 -0.0000000), wk = 0.0026738 k( 7) = ( 0.0517612 0.0839348 -0.0000000), wk = 0.0026738 k( 8) = ( 0.0603881 0.0979239 -0.0000000), wk = 0.0026738 k( 9) = ( 0.0690149 0.1119130 -0.0000000), wk = 0.0026738 k( 10) = ( 0.0776418 0.1259022 -0.0000000), wk = 0.0026738 k( 11) = ( 0.0862687 0.1398913 -0.0000000), wk = 0.0026738 k( 12) = ( 0.0948955 0.1538804 -0.0000000), wk = 0.0026738 k( 13) = ( 0.1035224 0.1678696 -0.0000000), wk = 0.0026738 k( 14) = ( 0.1121493 0.1818587 -0.0000000), wk = 0.0026738 k( 15) = ( 0.1207761 0.1958478 -0.0000000), wk = 0.0026738 k( 16) = ( 0.1294030 0.2098369 -0.0000000), wk = 0.0026738 k( 17) = ( 0.1380299 0.2238261 -0.0000000), wk = 0.0026738 k( 18) = ( 0.1466567 0.2378152 -0.0000000), wk = 0.0026738 k( 19) = ( 0.1552836 0.2518043 -0.0000000), wk = 0.0026738 k( 20) = ( 0.1639105 0.2657935 -0.0000000), wk = 0.0026738 k( 21) = ( 0.1725373 0.2797826 -0.0000000), wk = 0.0026738 k( 22) = ( 0.1811642 0.2937717 -0.0000000), wk = 0.0026738 k( 23) = ( 0.1897911 0.3077608 -0.0000000), wk = 0.0026738 k( 24) = ( 0.1984179 0.3217500 -0.0000000), wk = 0.0026738 k( 25) = ( 0.2070448 0.3357391 -0.0000000), wk = 0.0026738 k( 26) = ( 0.2156717 0.3497282 -0.0000000), wk = 0.0026738 k( 27) = ( 0.2242986 0.3637174 -0.0000000), wk = 0.0026738 k( 28) = ( 0.2329254 0.3777065 -0.0000000), wk = 0.0026738 k( 29) = ( 0.2415523 0.3916956 -0.0000000), wk = 0.0026738 k( 30) = ( 0.2501792 0.4056847 -0.0000000), wk = 0.0026738 k( 31) = ( 0.2588060 0.4196739 -0.0000000), wk = 0.0026738 k( 32) = ( 0.2674329 0.4336630 -0.0000000), wk = 0.0026738 k( 33) = ( 0.2760597 0.4476521 -0.0000000), wk = 0.0026738 k( 34) = ( 0.2846866 0.4616413 -0.0000000), wk = 0.0026738 k( 35) = ( 0.2933135 0.4756304 -0.0000000), wk = 0.0026738 k( 36) = ( 0.3019404 0.4896195 -0.0000000), wk = 0.0026738 k( 37) = ( 0.3105672 0.5036086 -0.0000000), wk = 0.0026738 k( 38) = ( 0.3191941 0.5175978 -0.0000000), wk = 0.0026738 k( 39) = ( 0.3278209 0.5315869 -0.0000000), wk = 0.0026738 k( 40) = ( 0.3364478 0.5455760 -0.0000000), wk = 0.0026738 k( 41) = ( 0.3450747 0.5595652 -0.0000000), wk = 0.0026738 k( 42) = ( 0.3450747 0.5595652 -0.0000000), wk = 0.0026738 k( 43) = ( 0.3286426 0.5595651 -0.0000000), wk = 0.0026738 k( 44) = ( 0.3122104 0.5595651 -0.0000000), wk = 0.0026738 k( 45) = ( 0.2957783 0.5595651 -0.0000000), wk = 0.0026738 k( 46) = ( 0.2793462 0.5595651 -0.0000000), wk = 0.0026738 k( 47) = ( 0.2629141 0.5595652 -0.0000000), wk = 0.0026738 k( 48) = ( 0.2464819 0.5595651 -0.0000000), wk = 0.0026738 k( 49) = ( 0.2300498 0.5595651 -0.0000000), wk = 0.0026738 k( 50) = ( 0.2136177 0.5595651 -0.0000000), wk = 0.0026738 k( 51) = ( 0.1971855 0.5595651 -0.0000000), wk = 0.0026738 k( 52) = ( 0.1807534 0.5595652 -0.0000000), wk = 0.0026738 k( 53) = ( 0.1643213 0.5595651 -0.0000000), wk = 0.0026738 k( 54) = ( 0.1478891 0.5595651 -0.0000000), wk = 0.0026738 k( 55) = ( 0.1314570 0.5595651 -0.0000000), wk = 0.0026738 k( 56) = ( 0.1150249 0.5595651 -0.0000000), wk = 0.0026738 k( 57) = ( 0.0985928 0.5595651 -0.0000000), wk = 0.0026738 k( 58) = ( 0.0821606 0.5595651 -0.0000000), wk = 0.0026738 k( 59) = ( 0.0657285 0.5595651 -0.0000000), wk = 0.0026738 k( 60) = ( 0.0492964 0.5595651 -0.0000000), wk = 0.0026738 k( 61) = ( 0.0328643 0.5595651 -0.0000000), wk = 0.0026738 k( 62) = ( 0.0164321 0.5595651 -0.0000000), wk = 0.0026738 k( 63) = ( 0.0000000 0.5595651 -0.0000000), wk = 0.0026738 k( 64) = ( 0.0000000 0.5595651 -0.0000000), wk = 0.0026738 k( 65) = ( 0.0000000 0.5595651 0.0163092), wk = 0.0026738 k( 66) = ( 0.0000000 0.5595651 0.0326184), wk = 0.0026738 k( 67) = ( 0.0000000 0.5595651 0.0489276), wk = 0.0026738 k( 68) = ( 0.0000000 0.5595651 0.0652368), wk = 0.0026738 k( 69) = ( 0.0000000 0.5595651 0.0815460), wk = 0.0026738 k( 70) = ( 0.0000000 0.5595651 0.0978552), wk = 0.0026738 k( 71) = ( 0.0000000 0.5595651 0.1141644), wk = 0.0026738 k( 72) = ( 0.0000000 0.5595651 0.1304736), wk = 0.0026738 k( 73) = ( 0.0000000 0.5595651 0.1467828), wk = 0.0026738 k( 74) = ( 0.0000000 0.5595651 0.1630920), wk = 0.0026738 k( 75) = ( 0.0000000 0.5595651 0.1794012), wk = 0.0026738 k( 76) = ( 0.0000000 0.5595651 0.1957104), wk = 0.0026738 k( 77) = ( 0.0000000 0.5595651 0.2120196), wk = 0.0026738 k( 78) = ( 0.0000000 0.5595651 0.2283288), wk = 0.0026738 k( 79) = ( 0.0000000 0.5595651 0.2446380), wk = 0.0026738 k( 80) = ( 0.0000000 0.5595651 0.2609472), wk = 0.0026738 k( 81) = ( 0.0000000 0.5595651 0.2772564), wk = 0.0026738 k( 82) = ( 0.0000000 0.5595651 0.2935656), wk = 0.0026738 k( 83) = ( 0.0000000 0.5595651 0.3098748), wk = 0.0026738 k( 84) = ( 0.0000000 0.5595651 0.3261840), wk = 0.0026738 k( 85) = ( 0.0000000 0.5595651 0.3424932), wk = 0.0026738 k( 86) = ( 0.0000000 0.5595651 0.3588024), wk = 0.0026738 k( 87) = ( 0.0000000 0.5595651 0.3751116), wk = 0.0026738 k( 88) = ( 0.0000000 0.5595651 0.3914207), wk = 0.0026738 k( 89) = ( 0.0000000 0.5595651 0.4077299), wk = 0.0026738 k( 90) = ( 0.0000000 0.5595651 0.4240391), wk = 0.0026738 k( 91) = ( 0.0000000 0.5595651 0.4403483), wk = 0.0026738 k( 92) = ( 0.0000000 0.5595651 0.4566575), wk = 0.0026738 k( 93) = ( 0.0000000 0.5595651 0.4729667), wk = 0.0026738 k( 94) = ( 0.0000000 0.5595651 0.4892759), wk = 0.0026738 k( 95) = ( 0.0000000 0.5595651 0.5055851), wk = 0.0026738 k( 96) = ( 0.0000000 0.5595651 0.5218943), wk = 0.0026738 k( 97) = ( 0.0000000 0.5595651 0.5382035), wk = 0.0026738 k( 98) = ( 0.0000000 0.5595651 0.5382035), wk = 0.0026738 k( 99) = ( 0.0164321 0.5595651 0.5382035), wk = 0.0026738 k( 100) = ( 0.0328643 0.5595651 0.5382035), wk = 0.0026738 k( 101) = ( 0.0492964 0.5595651 0.5382035), wk = 0.0026738 k( 102) = ( 0.0657285 0.5595651 0.5382035), wk = 0.0026738 k( 103) = ( 0.0821606 0.5595651 0.5382035), wk = 0.0026738 k( 104) = ( 0.0985928 0.5595651 0.5382035), wk = 0.0026738 k( 105) = ( 0.1150249 0.5595651 0.5382035), wk = 0.0026738 k( 106) = ( 0.1314570 0.5595651 0.5382035), wk = 0.0026738 k( 107) = ( 0.1478891 0.5595651 0.5382035), wk = 0.0026738 k( 108) = ( 0.1643213 0.5595651 0.5382035), wk = 0.0026738 k( 109) = ( 0.1807534 0.5595652 0.5382035), wk = 0.0026738 k( 110) = ( 0.1971855 0.5595651 0.5382035), wk = 0.0026738 k( 111) = ( 0.2136177 0.5595651 0.5382035), wk = 0.0026738 k( 112) = ( 0.2300498 0.5595651 0.5382035), wk = 0.0026738 k( 113) = ( 0.2464819 0.5595651 0.5382035), wk = 0.0026738 k( 114) = ( 0.2629141 0.5595652 0.5382035), wk = 0.0026738 k( 115) = ( 0.2793462 0.5595651 0.5382035), wk = 0.0026738 k( 116) = ( 0.2957783 0.5595651 0.5382035), wk = 0.0026738 k( 117) = ( 0.3122104 0.5595651 0.5382035), wk = 0.0026738 k( 118) = ( 0.3286426 0.5595651 0.5382035), wk = 0.0026738 k( 119) = ( 0.3450747 0.5595652 0.5382035), wk = 0.0026738 k( 120) = ( 0.3450747 0.5595652 0.5382035), wk = 0.0026738 k( 121) = ( 0.3364478 0.5455760 0.5382035), wk = 0.0026738 k( 122) = ( 0.3278209 0.5315869 0.5382035), wk = 0.0026738 k( 123) = ( 0.3191941 0.5175978 0.5382035), wk = 0.0026738 k( 124) = ( 0.3105672 0.5036086 0.5382035), wk = 0.0026738 k( 125) = ( 0.3019404 0.4896195 0.5382035), wk = 0.0026738 k( 126) = ( 0.2933135 0.4756304 0.5382035), wk = 0.0026738 k( 127) = ( 0.2846866 0.4616413 0.5382035), wk = 0.0026738 k( 128) = ( 0.2760597 0.4476521 0.5382035), wk = 0.0026738 k( 129) = ( 0.2674329 0.4336630 0.5382035), wk = 0.0026738 k( 130) = ( 0.2588060 0.4196739 0.5382035), wk = 0.0026738 k( 131) = ( 0.2501792 0.4056847 0.5382035), wk = 0.0026738 k( 132) = ( 0.2415523 0.3916956 0.5382035), wk = 0.0026738 k( 133) = ( 0.2329254 0.3777065 0.5382035), wk = 0.0026738 k( 134) = ( 0.2242986 0.3637174 0.5382035), wk = 0.0026738 k( 135) = ( 0.2156717 0.3497282 0.5382035), wk = 0.0026738 k( 136) = ( 0.2070448 0.3357391 0.5382035), wk = 0.0026738 k( 137) = ( 0.1984179 0.3217500 0.5382035), wk = 0.0026738 k( 138) = ( 0.1897911 0.3077608 0.5382035), wk = 0.0026738 k( 139) = ( 0.1811642 0.2937717 0.5382035), wk = 0.0026738 k( 140) = ( 0.1725373 0.2797826 0.5382035), wk = 0.0026738 k( 141) = ( 0.1639105 0.2657935 0.5382035), wk = 0.0026738 k( 142) = ( 0.1552836 0.2518043 0.5382035), wk = 0.0026738 k( 143) = ( 0.1466567 0.2378152 0.5382035), wk = 0.0026738 k( 144) = ( 0.1380299 0.2238261 0.5382035), wk = 0.0026738 k( 145) = ( 0.1294030 0.2098369 0.5382035), wk = 0.0026738 k( 146) = ( 0.1207761 0.1958478 0.5382035), wk = 0.0026738 k( 147) = ( 0.1121493 0.1818587 0.5382035), wk = 0.0026738 k( 148) = ( 0.1035224 0.1678696 0.5382035), wk = 0.0026738 k( 149) = ( 0.0948955 0.1538804 0.5382035), wk = 0.0026738 k( 150) = ( 0.0862687 0.1398913 0.5382035), wk = 0.0026738 k( 151) = ( 0.0776418 0.1259022 0.5382035), wk = 0.0026738 k( 152) = ( 0.0690149 0.1119130 0.5382035), wk = 0.0026738 k( 153) = ( 0.0603881 0.0979239 0.5382035), wk = 0.0026738 k( 154) = ( 0.0517612 0.0839348 0.5382035), wk = 0.0026738 k( 155) = ( 0.0431343 0.0699457 0.5382035), wk = 0.0026738 k( 156) = ( 0.0345075 0.0559565 0.5382035), wk = 0.0026738 k( 157) = ( 0.0258806 0.0419674 0.5382035), wk = 0.0026738 k( 158) = ( 0.0172537 0.0279783 0.5382035), wk = 0.0026738 k( 159) = ( 0.0086269 0.0139891 0.5382035), wk = 0.0026738 k( 160) = ( 0.0000000 0.0000000 0.5382035), wk = 0.0026738 k( 161) = ( 0.0000000 0.0000000 0.5382035), wk = 0.0026738 k( 162) = ( 0.0000000 0.0000000 0.5218943), wk = 0.0026738 k( 163) = ( 0.0000000 0.0000000 0.5055851), wk = 0.0026738 k( 164) = ( 0.0000000 0.0000000 0.4892759), wk = 0.0026738 k( 165) = ( 0.0000000 0.0000000 0.4729667), wk = 0.0026738 k( 166) = ( 0.0000000 0.0000000 0.4566575), wk = 0.0026738 k( 167) = ( 0.0000000 0.0000000 0.4403483), wk = 0.0026738 k( 168) = ( 0.0000000 0.0000000 0.4240391), wk = 0.0026738 k( 169) = ( 0.0000000 0.0000000 0.4077299), wk = 0.0026738 k( 170) = ( 0.0000000 0.0000000 0.3914207), wk = 0.0026738 k( 171) = ( 0.0000000 0.0000000 0.3751116), wk = 0.0026738 k( 172) = ( 0.0000000 0.0000000 0.3588024), wk = 0.0026738 k( 173) = ( 0.0000000 0.0000000 0.3424932), wk = 0.0026738 k( 174) = ( 0.0000000 0.0000000 0.3261840), wk = 0.0026738 k( 175) = ( 0.0000000 0.0000000 0.3098748), wk = 0.0026738 k( 176) = ( 0.0000000 0.0000000 0.2935656), wk = 0.0026738 k( 177) = ( 0.0000000 0.0000000 0.2772564), wk = 0.0026738 k( 178) = ( 0.0000000 0.0000000 0.2609472), wk = 0.0026738 k( 179) = ( 0.0000000 0.0000000 0.2446380), wk = 0.0026738 k( 180) = ( 0.0000000 0.0000000 0.2283288), wk = 0.0026738 k( 181) = ( 0.0000000 0.0000000 0.2120196), wk = 0.0026738 k( 182) = ( 0.0000000 0.0000000 0.1957104), wk = 0.0026738 k( 183) = ( 0.0000000 0.0000000 0.1794012), wk = 0.0026738 k( 184) = ( 0.0000000 0.0000000 0.1630920), wk = 0.0026738 k( 185) = ( 0.0000000 0.0000000 0.1467828), wk = 0.0026738 k( 186) = ( 0.0000000 0.0000000 0.1304736), wk = 0.0026738 k( 187) = ( 0.0000000 0.0000000 0.1141644), wk = 0.0026738 k( 188) = ( 0.0000000 0.0000000 0.0978552), wk = 0.0026738 k( 189) = ( 0.0000000 0.0000000 0.0815460), wk = 0.0026738 k( 190) = ( 0.0000000 0.0000000 0.0652368), wk = 0.0026738 k( 191) = ( 0.0000000 0.0000000 0.0489276), wk = 0.0026738 k( 192) = ( 0.0000000 0.0000000 0.0326184), wk = 0.0026738 k( 193) = ( 0.0000000 0.0000000 0.0163092), wk = 0.0026738 k( 194) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 195) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 196) = ( -0.0138889 0.0085651 0.0000000), wk = 0.0026738 k( 197) = ( -0.0277778 0.0171301 0.0000000), wk = 0.0026738 k( 198) = ( -0.0416667 0.0256952 0.0000000), wk = 0.0026738 k( 199) = ( -0.0555556 0.0342602 0.0000000), wk = 0.0026738 k( 200) = ( -0.0694444 0.0428253 0.0000000), wk = 0.0026738 k( 201) = ( -0.0833333 0.0513903 0.0000000), wk = 0.0026738 k( 202) = ( -0.0972222 0.0599554 0.0000000), wk = 0.0026738 k( 203) = ( -0.1111111 0.0685204 0.0000000), wk = 0.0026738 k( 204) = ( -0.1250000 0.0770855 0.0000000), wk = 0.0026738 k( 205) = ( -0.1388889 0.0856505 0.0000000), wk = 0.0026738 k( 206) = ( -0.1527778 0.0942156 0.0000000), wk = 0.0026738 k( 207) = ( -0.1666667 0.1027806 0.0000000), wk = 0.0026738 k( 208) = ( -0.1805556 0.1113457 0.0000000), wk = 0.0026738 k( 209) = ( -0.1944444 0.1199107 0.0000000), wk = 0.0026738 k( 210) = ( -0.2083333 0.1284758 0.0000000), wk = 0.0026738 k( 211) = ( -0.2222222 0.1370408 0.0000000), wk = 0.0026738 k( 212) = ( -0.2361111 0.1456059 0.0000000), wk = 0.0026738 k( 213) = ( -0.2500000 0.1541709 0.0000000), wk = 0.0026738 k( 214) = ( -0.2638889 0.1627360 0.0000000), wk = 0.0026738 k( 215) = ( -0.2777778 0.1713010 0.0000000), wk = 0.0026738 k( 216) = ( -0.2916667 0.1798661 0.0000000), wk = 0.0026738 k( 217) = ( -0.3055556 0.1884311 0.0000000), wk = 0.0026738 k( 218) = ( -0.3194444 0.1969962 0.0000000), wk = 0.0026738 k( 219) = ( -0.3333333 0.2055612 0.0000000), wk = 0.0026738 k( 220) = ( -0.3472222 0.2141263 0.0000000), wk = 0.0026738 k( 221) = ( -0.3611111 0.2226913 0.0000000), wk = 0.0026738 k( 222) = ( -0.3750000 0.2312564 0.0000000), wk = 0.0026738 k( 223) = ( -0.3888889 0.2398214 0.0000000), wk = 0.0026738 k( 224) = ( -0.4027778 0.2483865 0.0000000), wk = 0.0026738 k( 225) = ( -0.4166667 0.2569515 0.0000000), wk = 0.0026738 k( 226) = ( -0.4305556 0.2655166 0.0000000), wk = 0.0026738 k( 227) = ( -0.4444444 0.2740816 0.0000000), wk = 0.0026738 k( 228) = ( -0.4583333 0.2826467 0.0000000), wk = 0.0026738 k( 229) = ( -0.4722222 0.2912117 0.0000000), wk = 0.0026738 k( 230) = ( -0.4861111 0.2997768 0.0000000), wk = 0.0026738 k( 231) = ( -0.5000000 0.3083418 0.0000000), wk = 0.0026738 k( 232) = ( -0.5000000 0.3083418 0.0000000), wk = 0.0026738 k( 233) = ( -0.4913930 0.3222987 -0.0000000), wk = 0.0026738 k( 234) = ( -0.4827861 0.3362555 -0.0000000), wk = 0.0026738 k( 235) = ( -0.4741791 0.3502124 -0.0000000), wk = 0.0026738 k( 236) = ( -0.4655722 0.3641692 -0.0000000), wk = 0.0026738 k( 237) = ( -0.4569652 0.3781261 -0.0000000), wk = 0.0026738 k( 238) = ( -0.4483582 0.3920829 -0.0000000), wk = 0.0026738 k( 239) = ( -0.4397513 0.4060398 -0.0000000), wk = 0.0026738 k( 240) = ( -0.4311443 0.4199966 -0.0000000), wk = 0.0026738 k( 241) = ( -0.4225373 0.4339535 -0.0000000), wk = 0.0026738 k( 242) = ( -0.4139304 0.4479103 -0.0000000), wk = 0.0026738 k( 243) = ( -0.4053234 0.4618672 -0.0000000), wk = 0.0026738 k( 244) = ( -0.3967165 0.4758240 -0.0000000), wk = 0.0026738 k( 245) = ( -0.3881095 0.4897809 -0.0000000), wk = 0.0026738 k( 246) = ( -0.3795025 0.5037377 -0.0000000), wk = 0.0026738 k( 247) = ( -0.3708956 0.5176946 -0.0000000), wk = 0.0026738 k( 248) = ( -0.3622886 0.5316514 -0.0000000), wk = 0.0026738 k( 249) = ( -0.3536817 0.5456083 -0.0000000), wk = 0.0026738 k( 250) = ( -0.3450747 0.5595651 -0.0000000), wk = 0.0026738 k( 251) = ( -0.3450747 0.5595651 -0.0000000), wk = 0.0026738 k( 252) = ( -0.3450747 0.5595651 0.0163092), wk = 0.0026738 k( 253) = ( -0.3450747 0.5595651 0.0326184), wk = 0.0026738 k( 254) = ( -0.3450747 0.5595651 0.0489276), wk = 0.0026738 k( 255) = ( -0.3450747 0.5595651 0.0652368), wk = 0.0026738 k( 256) = ( -0.3450747 0.5595651 0.0815460), wk = 0.0026738 k( 257) = ( -0.3450747 0.5595651 0.0978552), wk = 0.0026738 k( 258) = ( -0.3450747 0.5595651 0.1141644), wk = 0.0026738 k( 259) = ( -0.3450747 0.5595651 0.1304736), wk = 0.0026738 k( 260) = ( -0.3450747 0.5595651 0.1467828), wk = 0.0026738 k( 261) = ( -0.3450747 0.5595651 0.1630920), wk = 0.0026738 k( 262) = ( -0.3450747 0.5595651 0.1794012), wk = 0.0026738 k( 263) = ( -0.3450747 0.5595651 0.1957104), wk = 0.0026738 k( 264) = ( -0.3450747 0.5595651 0.2120196), wk = 0.0026738 k( 265) = ( -0.3450747 0.5595651 0.2283288), wk = 0.0026738 k( 266) = ( -0.3450747 0.5595651 0.2446380), wk = 0.0026738 k( 267) = ( -0.3450747 0.5595651 0.2609472), wk = 0.0026738 k( 268) = ( -0.3450747 0.5595651 0.2772564), wk = 0.0026738 k( 269) = ( -0.3450747 0.5595651 0.2935656), wk = 0.0026738 k( 270) = ( -0.3450747 0.5595651 0.3098748), wk = 0.0026738 k( 271) = ( -0.3450747 0.5595651 0.3261840), wk = 0.0026738 k( 272) = ( -0.3450747 0.5595651 0.3424932), wk = 0.0026738 k( 273) = ( -0.3450747 0.5595651 0.3588024), wk = 0.0026738 k( 274) = ( -0.3450747 0.5595651 0.3751116), wk = 0.0026738 k( 275) = ( -0.3450747 0.5595651 0.3914207), wk = 0.0026738 k( 276) = ( -0.3450747 0.5595651 0.4077299), wk = 0.0026738 k( 277) = ( -0.3450747 0.5595651 0.4240391), wk = 0.0026738 k( 278) = ( -0.3450747 0.5595651 0.4403483), wk = 0.0026738 k( 279) = ( -0.3450747 0.5595651 0.4566575), wk = 0.0026738 k( 280) = ( -0.3450747 0.5595651 0.4729667), wk = 0.0026738 k( 281) = ( -0.3450747 0.5595651 0.4892759), wk = 0.0026738 k( 282) = ( -0.3450747 0.5595651 0.5055851), wk = 0.0026738 k( 283) = ( -0.3450747 0.5595651 0.5218943), wk = 0.0026738 k( 284) = ( -0.3450747 0.5595651 0.5382035), wk = 0.0026738 k( 285) = ( -0.3450747 0.5595651 0.5382035), wk = 0.0026738 k( 286) = ( -0.3536817 0.5456083 0.5382035), wk = 0.0026738 k( 287) = ( -0.3622886 0.5316514 0.5382035), wk = 0.0026738 k( 288) = ( -0.3708956 0.5176946 0.5382035), wk = 0.0026738 k( 289) = ( -0.3795025 0.5037377 0.5382035), wk = 0.0026738 k( 290) = ( -0.3881095 0.4897809 0.5382035), wk = 0.0026738 k( 291) = ( -0.3967165 0.4758240 0.5382035), wk = 0.0026738 k( 292) = ( -0.4053234 0.4618672 0.5382035), wk = 0.0026738 k( 293) = ( -0.4139304 0.4479103 0.5382035), wk = 0.0026738 k( 294) = ( -0.4225373 0.4339535 0.5382035), wk = 0.0026738 k( 295) = ( -0.4311443 0.4199966 0.5382035), wk = 0.0026738 k( 296) = ( -0.4397513 0.4060398 0.5382035), wk = 0.0026738 k( 297) = ( -0.4483582 0.3920829 0.5382035), wk = 0.0026738 k( 298) = ( -0.4569652 0.3781261 0.5382035), wk = 0.0026738 k( 299) = ( -0.4655722 0.3641692 0.5382035), wk = 0.0026738 k( 300) = ( -0.4741791 0.3502124 0.5382035), wk = 0.0026738 k( 301) = ( -0.4827861 0.3362555 0.5382035), wk = 0.0026738 k( 302) = ( -0.4913930 0.3222987 0.5382035), wk = 0.0026738 k( 303) = ( -0.5000000 0.3083418 0.5382035), wk = 0.0026738 k( 304) = ( -0.5000000 0.3083418 0.5382035), wk = 0.0026738 k( 305) = ( -0.5000000 0.3083418 0.5218943), wk = 0.0026738 k( 306) = ( -0.5000000 0.3083418 0.5055851), wk = 0.0026738 k( 307) = ( -0.5000000 0.3083418 0.4892759), wk = 0.0026738 k( 308) = ( -0.5000000 0.3083418 0.4729667), wk = 0.0026738 k( 309) = ( -0.5000000 0.3083418 0.4566575), wk = 0.0026738 k( 310) = ( -0.5000000 0.3083418 0.4403483), wk = 0.0026738 k( 311) = ( -0.5000000 0.3083418 0.4240391), wk = 0.0026738 k( 312) = ( -0.5000000 0.3083418 0.4077299), wk = 0.0026738 k( 313) = ( -0.5000000 0.3083418 0.3914207), wk = 0.0026738 k( 314) = ( -0.5000000 0.3083418 0.3751116), wk = 0.0026738 k( 315) = ( -0.5000000 0.3083418 0.3588024), wk = 0.0026738 k( 316) = ( -0.5000000 0.3083418 0.3424932), wk = 0.0026738 k( 317) = ( -0.5000000 0.3083418 0.3261840), wk = 0.0026738 k( 318) = ( -0.5000000 0.3083418 0.3098748), wk = 0.0026738 k( 319) = ( -0.5000000 0.3083418 0.2935656), wk = 0.0026738 k( 320) = ( -0.5000000 0.3083418 0.2772564), wk = 0.0026738 k( 321) = ( -0.5000000 0.3083418 0.2609472), wk = 0.0026738 k( 322) = ( -0.5000000 0.3083418 0.2446380), wk = 0.0026738 k( 323) = ( -0.5000000 0.3083418 0.2283288), wk = 0.0026738 k( 324) = ( -0.5000000 0.3083418 0.2120196), wk = 0.0026738 k( 325) = ( -0.5000000 0.3083418 0.1957104), wk = 0.0026738 k( 326) = ( -0.5000000 0.3083418 0.1794012), wk = 0.0026738 k( 327) = ( -0.5000000 0.3083418 0.1630920), wk = 0.0026738 k( 328) = ( -0.5000000 0.3083418 0.1467828), wk = 0.0026738 k( 329) = ( -0.5000000 0.3083418 0.1304736), wk = 0.0026738 k( 330) = ( -0.5000000 0.3083418 0.1141644), wk = 0.0026738 k( 331) = ( -0.5000000 0.3083418 0.0978552), wk = 0.0026738 k( 332) = ( -0.5000000 0.3083418 0.0815460), wk = 0.0026738 k( 333) = ( -0.5000000 0.3083418 0.0652368), wk = 0.0026738 k( 334) = ( -0.5000000 0.3083418 0.0489276), wk = 0.0026738 k( 335) = ( -0.5000000 0.3083418 0.0326184), wk = 0.0026738 k( 336) = ( -0.5000000 0.3083418 0.0163092), wk = 0.0026738 k( 337) = ( -0.5000000 0.3083418 0.0000000), wk = 0.0026738 k( 338) = ( 0.0000000 0.0000000 0.5382035), wk = 0.0026738 k( 339) = ( -0.0138889 0.0085651 0.5382035), wk = 0.0026738 k( 340) = ( -0.0277778 0.0171301 0.5382035), wk = 0.0026738 k( 341) = ( -0.0416667 0.0256952 0.5382035), wk = 0.0026738 k( 342) = ( -0.0555556 0.0342602 0.5382035), wk = 0.0026738 k( 343) = ( -0.0694444 0.0428253 0.5382035), wk = 0.0026738 k( 344) = ( -0.0833333 0.0513903 0.5382035), wk = 0.0026738 k( 345) = ( -0.0972222 0.0599554 0.5382035), wk = 0.0026738 k( 346) = ( -0.1111111 0.0685204 0.5382035), wk = 0.0026738 k( 347) = ( -0.1250000 0.0770855 0.5382035), wk = 0.0026738 k( 348) = ( -0.1388889 0.0856505 0.5382035), wk = 0.0026738 k( 349) = ( -0.1527778 0.0942156 0.5382035), wk = 0.0026738 k( 350) = ( -0.1666667 0.1027806 0.5382035), wk = 0.0026738 k( 351) = ( -0.1805556 0.1113457 0.5382035), wk = 0.0026738 k( 352) = ( -0.1944444 0.1199107 0.5382035), wk = 0.0026738 k( 353) = ( -0.2083333 0.1284758 0.5382035), wk = 0.0026738 k( 354) = ( -0.2222222 0.1370408 0.5382035), wk = 0.0026738 k( 355) = ( -0.2361111 0.1456059 0.5382035), wk = 0.0026738 k( 356) = ( -0.2500000 0.1541709 0.5382035), wk = 0.0026738 k( 357) = ( -0.2638889 0.1627360 0.5382035), wk = 0.0026738 k( 358) = ( -0.2777778 0.1713010 0.5382035), wk = 0.0026738 k( 359) = ( -0.2916667 0.1798661 0.5382035), wk = 0.0026738 k( 360) = ( -0.3055556 0.1884311 0.5382035), wk = 0.0026738 k( 361) = ( -0.3194444 0.1969962 0.5382035), wk = 0.0026738 k( 362) = ( -0.3333333 0.2055612 0.5382035), wk = 0.0026738 k( 363) = ( -0.3472222 0.2141263 0.5382035), wk = 0.0026738 k( 364) = ( -0.3611111 0.2226913 0.5382035), wk = 0.0026738 k( 365) = ( -0.3750000 0.2312564 0.5382035), wk = 0.0026738 k( 366) = ( -0.3888889 0.2398214 0.5382035), wk = 0.0026738 k( 367) = ( -0.4027778 0.2483865 0.5382035), wk = 0.0026738 k( 368) = ( -0.4166667 0.2569515 0.5382035), wk = 0.0026738 k( 369) = ( -0.4305556 0.2655166 0.5382035), wk = 0.0026738 k( 370) = ( -0.4444444 0.2740816 0.5382035), wk = 0.0026738 k( 371) = ( -0.4583333 0.2826467 0.5382035), wk = 0.0026738 k( 372) = ( -0.4722222 0.2912117 0.5382035), wk = 0.0026738 k( 373) = ( -0.4861111 0.2997768 0.5382035), wk = 0.0026738 k( 374) = ( -0.5000000 0.3083418 0.5382035), wk = 0.0026738 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 2) = ( 0.0086269 0.0086269 0.0000000), wk = 0.0026738 k( 3) = ( 0.0172537 0.0172537 -0.0000000), wk = 0.0026738 k( 4) = ( 0.0258806 0.0258806 0.0000000), wk = 0.0026738 k( 5) = ( 0.0345075 0.0345075 0.0000000), wk = 0.0026738 k( 6) = ( 0.0431343 0.0431343 0.0000000), wk = 0.0026738 k( 7) = ( 0.0517612 0.0517612 0.0000000), wk = 0.0026738 k( 8) = ( 0.0603881 0.0603881 0.0000000), wk = 0.0026738 k( 9) = ( 0.0690149 0.0690149 0.0000000), wk = 0.0026738 k( 10) = ( 0.0776418 0.0776418 -0.0000000), wk = 0.0026738 k( 11) = ( 0.0862687 0.0862687 0.0000000), wk = 0.0026738 k( 12) = ( 0.0948955 0.0948955 0.0000000), wk = 0.0026738 k( 13) = ( 0.1035224 0.1035224 0.0000000), wk = 0.0026738 k( 14) = ( 0.1121493 0.1121493 -0.0000000), wk = 0.0026738 k( 15) = ( 0.1207761 0.1207761 0.0000000), wk = 0.0026738 k( 16) = ( 0.1294030 0.1294030 0.0000000), wk = 0.0026738 k( 17) = ( 0.1380299 0.1380299 0.0000000), wk = 0.0026738 k( 18) = ( 0.1466567 0.1466567 0.0000000), wk = 0.0026738 k( 19) = ( 0.1552836 0.1552836 0.0000000), wk = 0.0026738 k( 20) = ( 0.1639105 0.1639105 0.0000000), wk = 0.0026738 k( 21) = ( 0.1725373 0.1725373 0.0000000), wk = 0.0026738 k( 22) = ( 0.1811642 0.1811642 0.0000000), wk = 0.0026738 k( 23) = ( 0.1897911 0.1897911 0.0000000), wk = 0.0026738 k( 24) = ( 0.1984179 0.1984179 0.0000000), wk = 0.0026738 k( 25) = ( 0.2070448 0.2070448 0.0000000), wk = 0.0026738 k( 26) = ( 0.2156717 0.2156717 -0.0000000), wk = 0.0026738 k( 27) = ( 0.2242986 0.2242986 0.0000000), wk = 0.0026738 k( 28) = ( 0.2329254 0.2329254 0.0000000), wk = 0.0026738 k( 29) = ( 0.2415523 0.2415523 0.0000000), wk = 0.0026738 k( 30) = ( 0.2501792 0.2501792 0.0000000), wk = 0.0026738 k( 31) = ( 0.2588060 0.2588060 0.0000000), wk = 0.0026738 k( 32) = ( 0.2674329 0.2674329 0.0000000), wk = 0.0026738 k( 33) = ( 0.2760597 0.2760598 0.0000000), wk = 0.0026738 k( 34) = ( 0.2846866 0.2846866 0.0000000), wk = 0.0026738 k( 35) = ( 0.2933135 0.2933135 0.0000000), wk = 0.0026738 k( 36) = ( 0.3019404 0.3019404 0.0000000), wk = 0.0026738 k( 37) = ( 0.3105672 0.3105672 0.0000000), wk = 0.0026738 k( 38) = ( 0.3191941 0.3191941 0.0000000), wk = 0.0026738 k( 39) = ( 0.3278209 0.3278210 0.0000000), wk = 0.0026738 k( 40) = ( 0.3364478 0.3364478 0.0000000), wk = 0.0026738 k( 41) = ( 0.3450747 0.3450747 0.0000000), wk = 0.0026738 k( 42) = ( 0.3450747 0.3450747 0.0000000), wk = 0.0026738 k( 43) = ( 0.3286426 0.3524521 0.0000000), wk = 0.0026738 k( 44) = ( 0.3122104 0.3598295 0.0000000), wk = 0.0026738 k( 45) = ( 0.2957783 0.3672069 0.0000000), wk = 0.0026738 k( 46) = ( 0.2793462 0.3745843 0.0000000), wk = 0.0026738 k( 47) = ( 0.2629141 0.3819617 0.0000000), wk = 0.0026738 k( 48) = ( 0.2464819 0.3893391 0.0000000), wk = 0.0026738 k( 49) = ( 0.2300498 0.3967165 0.0000000), wk = 0.0026738 k( 50) = ( 0.2136177 0.4040939 0.0000000), wk = 0.0026738 k( 51) = ( 0.1971855 0.4114713 0.0000000), wk = 0.0026738 k( 52) = ( 0.1807534 0.4188487 0.0000000), wk = 0.0026738 k( 53) = ( 0.1643213 0.4262260 -0.0000000), wk = 0.0026738 k( 54) = ( 0.1478891 0.4336034 0.0000000), wk = 0.0026738 k( 55) = ( 0.1314570 0.4409808 0.0000000), wk = 0.0026738 k( 56) = ( 0.1150249 0.4483582 0.0000000), wk = 0.0026738 k( 57) = ( 0.0985928 0.4557356 0.0000000), wk = 0.0026738 k( 58) = ( 0.0821606 0.4631130 0.0000000), wk = 0.0026738 k( 59) = ( 0.0657285 0.4704904 0.0000000), wk = 0.0026738 k( 60) = ( 0.0492964 0.4778678 0.0000000), wk = 0.0026738 k( 61) = ( 0.0328643 0.4852452 0.0000000), wk = 0.0026738 k( 62) = ( 0.0164321 0.4926226 0.0000000), wk = 0.0026738 k( 63) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026738 k( 64) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026738 k( 65) = ( 0.0000000 0.5000000 0.0151515), wk = 0.0026738 k( 66) = ( 0.0000000 0.5000000 0.0303030), wk = 0.0026738 k( 67) = ( 0.0000000 0.5000000 0.0454545), wk = 0.0026738 k( 68) = ( 0.0000000 0.5000000 0.0606061), wk = 0.0026738 k( 69) = ( 0.0000000 0.5000000 0.0757576), wk = 0.0026738 k( 70) = ( 0.0000000 0.5000000 0.0909091), wk = 0.0026738 k( 71) = ( 0.0000000 0.5000000 0.1060606), wk = 0.0026738 k( 72) = ( 0.0000000 0.5000000 0.1212121), wk = 0.0026738 k( 73) = ( 0.0000000 0.5000000 0.1363636), wk = 0.0026738 k( 74) = ( 0.0000000 0.5000000 0.1515151), wk = 0.0026738 k( 75) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0026738 k( 76) = ( 0.0000000 0.5000000 0.1818182), wk = 0.0026738 k( 77) = ( 0.0000000 0.5000000 0.1969697), wk = 0.0026738 k( 78) = ( 0.0000000 0.5000000 0.2121212), wk = 0.0026738 k( 79) = ( 0.0000000 0.5000000 0.2272727), wk = 0.0026738 k( 80) = ( 0.0000000 0.5000000 0.2424242), wk = 0.0026738 k( 81) = ( 0.0000000 0.5000000 0.2575758), wk = 0.0026738 k( 82) = ( 0.0000000 0.5000000 0.2727273), wk = 0.0026738 k( 83) = ( 0.0000000 0.5000000 0.2878788), wk = 0.0026738 k( 84) = ( 0.0000000 0.5000000 0.3030303), wk = 0.0026738 k( 85) = ( 0.0000000 0.5000000 0.3181818), wk = 0.0026738 k( 86) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0026738 k( 87) = ( 0.0000000 0.5000000 0.3484849), wk = 0.0026738 k( 88) = ( 0.0000000 0.5000000 0.3636364), wk = 0.0026738 k( 89) = ( 0.0000000 0.5000000 0.3787879), wk = 0.0026738 k( 90) = ( 0.0000000 0.5000000 0.3939394), wk = 0.0026738 k( 91) = ( 0.0000000 0.5000000 0.4090909), wk = 0.0026738 k( 92) = ( 0.0000000 0.5000000 0.4242424), wk = 0.0026738 k( 93) = ( 0.0000000 0.5000000 0.4393939), wk = 0.0026738 k( 94) = ( 0.0000000 0.5000000 0.4545455), wk = 0.0026738 k( 95) = ( 0.0000000 0.5000000 0.4696970), wk = 0.0026738 k( 96) = ( 0.0000000 0.5000000 0.4848485), wk = 0.0026738 k( 97) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026738 k( 98) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026738 k( 99) = ( 0.0164321 0.4926226 0.5000000), wk = 0.0026738 k( 100) = ( 0.0328643 0.4852452 0.5000000), wk = 0.0026738 k( 101) = ( 0.0492964 0.4778678 0.5000000), wk = 0.0026738 k( 102) = ( 0.0657285 0.4704904 0.5000000), wk = 0.0026738 k( 103) = ( 0.0821606 0.4631130 0.5000000), wk = 0.0026738 k( 104) = ( 0.0985928 0.4557356 0.5000000), wk = 0.0026738 k( 105) = ( 0.1150249 0.4483582 0.5000000), wk = 0.0026738 k( 106) = ( 0.1314570 0.4409808 0.5000000), wk = 0.0026738 k( 107) = ( 0.1478891 0.4336034 0.5000000), wk = 0.0026738 k( 108) = ( 0.1643213 0.4262260 0.5000000), wk = 0.0026738 k( 109) = ( 0.1807534 0.4188487 0.5000000), wk = 0.0026738 k( 110) = ( 0.1971855 0.4114713 0.5000000), wk = 0.0026738 k( 111) = ( 0.2136177 0.4040939 0.5000000), wk = 0.0026738 k( 112) = ( 0.2300498 0.3967165 0.5000000), wk = 0.0026738 k( 113) = ( 0.2464819 0.3893391 0.5000000), wk = 0.0026738 k( 114) = ( 0.2629141 0.3819617 0.5000000), wk = 0.0026738 k( 115) = ( 0.2793462 0.3745843 0.5000000), wk = 0.0026738 k( 116) = ( 0.2957783 0.3672069 0.5000000), wk = 0.0026738 k( 117) = ( 0.3122104 0.3598295 0.5000000), wk = 0.0026738 k( 118) = ( 0.3286426 0.3524521 0.5000000), wk = 0.0026738 k( 119) = ( 0.3450747 0.3450747 0.5000000), wk = 0.0026738 k( 120) = ( 0.3450747 0.3450747 0.5000000), wk = 0.0026738 k( 121) = ( 0.3364478 0.3364478 0.5000000), wk = 0.0026738 k( 122) = ( 0.3278209 0.3278210 0.5000000), wk = 0.0026738 k( 123) = ( 0.3191941 0.3191941 0.5000000), wk = 0.0026738 k( 124) = ( 0.3105672 0.3105672 0.5000000), wk = 0.0026738 k( 125) = ( 0.3019404 0.3019404 0.5000000), wk = 0.0026738 k( 126) = ( 0.2933135 0.2933135 0.5000000), wk = 0.0026738 k( 127) = ( 0.2846866 0.2846866 0.5000000), wk = 0.0026738 k( 128) = ( 0.2760597 0.2760598 0.5000000), wk = 0.0026738 k( 129) = ( 0.2674329 0.2674329 0.5000000), wk = 0.0026738 k( 130) = ( 0.2588060 0.2588060 0.5000000), wk = 0.0026738 k( 131) = ( 0.2501792 0.2501792 0.5000000), wk = 0.0026738 k( 132) = ( 0.2415523 0.2415523 0.5000000), wk = 0.0026738 k( 133) = ( 0.2329254 0.2329254 0.5000000), wk = 0.0026738 k( 134) = ( 0.2242986 0.2242986 0.5000000), wk = 0.0026738 k( 135) = ( 0.2156717 0.2156717 0.5000000), wk = 0.0026738 k( 136) = ( 0.2070448 0.2070448 0.5000000), wk = 0.0026738 k( 137) = ( 0.1984179 0.1984179 0.5000000), wk = 0.0026738 k( 138) = ( 0.1897911 0.1897911 0.5000000), wk = 0.0026738 k( 139) = ( 0.1811642 0.1811642 0.5000000), wk = 0.0026738 k( 140) = ( 0.1725373 0.1725373 0.5000000), wk = 0.0026738 k( 141) = ( 0.1639105 0.1639105 0.5000000), wk = 0.0026738 k( 142) = ( 0.1552836 0.1552836 0.5000000), wk = 0.0026738 k( 143) = ( 0.1466567 0.1466567 0.5000000), wk = 0.0026738 k( 144) = ( 0.1380299 0.1380299 0.5000000), wk = 0.0026738 k( 145) = ( 0.1294030 0.1294030 0.5000000), wk = 0.0026738 k( 146) = ( 0.1207761 0.1207761 0.5000000), wk = 0.0026738 k( 147) = ( 0.1121493 0.1121493 0.5000000), wk = 0.0026738 k( 148) = ( 0.1035224 0.1035224 0.5000000), wk = 0.0026738 k( 149) = ( 0.0948955 0.0948955 0.5000000), wk = 0.0026738 k( 150) = ( 0.0862687 0.0862687 0.5000000), wk = 0.0026738 k( 151) = ( 0.0776418 0.0776418 0.5000000), wk = 0.0026738 k( 152) = ( 0.0690149 0.0690149 0.5000000), wk = 0.0026738 k( 153) = ( 0.0603881 0.0603881 0.5000000), wk = 0.0026738 k( 154) = ( 0.0517612 0.0517612 0.5000000), wk = 0.0026738 k( 155) = ( 0.0431343 0.0431343 0.5000000), wk = 0.0026738 k( 156) = ( 0.0345075 0.0345075 0.5000000), wk = 0.0026738 k( 157) = ( 0.0258806 0.0258806 0.5000000), wk = 0.0026738 k( 158) = ( 0.0172537 0.0172537 0.5000000), wk = 0.0026738 k( 159) = ( 0.0086269 0.0086269 0.5000000), wk = 0.0026738 k( 160) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026738 k( 161) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026738 k( 162) = ( 0.0000000 0.0000000 0.4848485), wk = 0.0026738 k( 163) = ( 0.0000000 0.0000000 0.4696970), wk = 0.0026738 k( 164) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0026738 k( 165) = ( 0.0000000 0.0000000 0.4393939), wk = 0.0026738 k( 166) = ( 0.0000000 0.0000000 0.4242424), wk = 0.0026738 k( 167) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0026738 k( 168) = ( 0.0000000 0.0000000 0.3939394), wk = 0.0026738 k( 169) = ( 0.0000000 0.0000000 0.3787879), wk = 0.0026738 k( 170) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0026738 k( 171) = ( 0.0000000 0.0000000 0.3484849), wk = 0.0026738 k( 172) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0026738 k( 173) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0026738 k( 174) = ( 0.0000000 0.0000000 0.3030303), wk = 0.0026738 k( 175) = ( 0.0000000 0.0000000 0.2878788), wk = 0.0026738 k( 176) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0026738 k( 177) = ( 0.0000000 0.0000000 0.2575758), wk = 0.0026738 k( 178) = ( 0.0000000 0.0000000 0.2424242), wk = 0.0026738 k( 179) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0026738 k( 180) = ( 0.0000000 0.0000000 0.2121212), wk = 0.0026738 k( 181) = ( 0.0000000 0.0000000 0.1969697), wk = 0.0026738 k( 182) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0026738 k( 183) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0026738 k( 184) = ( 0.0000000 0.0000000 0.1515151), wk = 0.0026738 k( 185) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0026738 k( 186) = ( 0.0000000 0.0000000 0.1212121), wk = 0.0026738 k( 187) = ( 0.0000000 0.0000000 0.1060606), wk = 0.0026738 k( 188) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0026738 k( 189) = ( 0.0000000 0.0000000 0.0757576), wk = 0.0026738 k( 190) = ( 0.0000000 0.0000000 0.0606061), wk = 0.0026738 k( 191) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0026738 k( 192) = ( 0.0000000 0.0000000 0.0303030), wk = 0.0026738 k( 193) = ( 0.0000000 0.0000000 0.0151515), wk = 0.0026738 k( 194) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 195) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 196) = ( -0.0138889 0.0138889 0.0000000), wk = 0.0026738 k( 197) = ( -0.0277778 0.0277778 0.0000000), wk = 0.0026738 k( 198) = ( -0.0416667 0.0416667 0.0000000), wk = 0.0026738 k( 199) = ( -0.0555556 0.0555556 0.0000000), wk = 0.0026738 k( 200) = ( -0.0694444 0.0694444 0.0000000), wk = 0.0026738 k( 201) = ( -0.0833333 0.0833333 0.0000000), wk = 0.0026738 k( 202) = ( -0.0972222 0.0972222 0.0000000), wk = 0.0026738 k( 203) = ( -0.1111111 0.1111111 0.0000000), wk = 0.0026738 k( 204) = ( -0.1250000 0.1250000 0.0000000), wk = 0.0026738 k( 205) = ( -0.1388889 0.1388889 0.0000000), wk = 0.0026738 k( 206) = ( -0.1527778 0.1527778 0.0000000), wk = 0.0026738 k( 207) = ( -0.1666667 0.1666667 0.0000000), wk = 0.0026738 k( 208) = ( -0.1805556 0.1805556 0.0000000), wk = 0.0026738 k( 209) = ( -0.1944444 0.1944444 0.0000000), wk = 0.0026738 k( 210) = ( -0.2083333 0.2083333 0.0000000), wk = 0.0026738 k( 211) = ( -0.2222222 0.2222222 0.0000000), wk = 0.0026738 k( 212) = ( -0.2361111 0.2361111 0.0000000), wk = 0.0026738 k( 213) = ( -0.2500000 0.2500000 0.0000000), wk = 0.0026738 k( 214) = ( -0.2638889 0.2638889 0.0000000), wk = 0.0026738 k( 215) = ( -0.2777778 0.2777778 0.0000000), wk = 0.0026738 k( 216) = ( -0.2916667 0.2916667 0.0000000), wk = 0.0026738 k( 217) = ( -0.3055556 0.3055556 0.0000000), wk = 0.0026738 k( 218) = ( -0.3194444 0.3194444 0.0000000), wk = 0.0026738 k( 219) = ( -0.3333333 0.3333333 0.0000000), wk = 0.0026738 k( 220) = ( -0.3472222 0.3472222 0.0000000), wk = 0.0026738 k( 221) = ( -0.3611111 0.3611111 0.0000000), wk = 0.0026738 k( 222) = ( -0.3750000 0.3750000 0.0000000), wk = 0.0026738 k( 223) = ( -0.3888889 0.3888889 0.0000000), wk = 0.0026738 k( 224) = ( -0.4027778 0.4027778 0.0000000), wk = 0.0026738 k( 225) = ( -0.4166667 0.4166667 0.0000000), wk = 0.0026738 k( 226) = ( -0.4305556 0.4305556 0.0000000), wk = 0.0026738 k( 227) = ( -0.4444444 0.4444444 0.0000000), wk = 0.0026738 k( 228) = ( -0.4583333 0.4583333 -0.0000000), wk = 0.0026738 k( 229) = ( -0.4722222 0.4722222 0.0000000), wk = 0.0026738 k( 230) = ( -0.4861111 0.4861111 0.0000000), wk = 0.0026738 k( 231) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0026738 k( 232) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0026738 k( 233) = ( -0.4913930 0.5086070 0.0000000), wk = 0.0026738 k( 234) = ( -0.4827861 0.5172139 0.0000000), wk = 0.0026738 k( 235) = ( -0.4741791 0.5258209 0.0000000), wk = 0.0026738 k( 236) = ( -0.4655722 0.5344279 0.0000000), wk = 0.0026738 k( 237) = ( -0.4569652 0.5430348 0.0000000), wk = 0.0026738 k( 238) = ( -0.4483582 0.5516418 0.0000000), wk = 0.0026738 k( 239) = ( -0.4397513 0.5602487 0.0000000), wk = 0.0026738 k( 240) = ( -0.4311443 0.5688557 0.0000000), wk = 0.0026738 k( 241) = ( -0.4225373 0.5774627 0.0000000), wk = 0.0026738 k( 242) = ( -0.4139304 0.5860696 0.0000000), wk = 0.0026738 k( 243) = ( -0.4053234 0.5946766 0.0000000), wk = 0.0026738 k( 244) = ( -0.3967165 0.6032835 0.0000000), wk = 0.0026738 k( 245) = ( -0.3881095 0.6118905 0.0000000), wk = 0.0026738 k( 246) = ( -0.3795025 0.6204975 0.0000000), wk = 0.0026738 k( 247) = ( -0.3708956 0.6291044 0.0000000), wk = 0.0026738 k( 248) = ( -0.3622886 0.6377114 0.0000000), wk = 0.0026738 k( 249) = ( -0.3536817 0.6463184 0.0000000), wk = 0.0026738 k( 250) = ( -0.3450747 0.6549253 0.0000000), wk = 0.0026738 k( 251) = ( -0.3450747 0.6549253 0.0000000), wk = 0.0026738 k( 252) = ( -0.3450747 0.6549253 0.0151515), wk = 0.0026738 k( 253) = ( -0.3450747 0.6549253 0.0303030), wk = 0.0026738 k( 254) = ( -0.3450747 0.6549253 0.0454546), wk = 0.0026738 k( 255) = ( -0.3450747 0.6549253 0.0606061), wk = 0.0026738 k( 256) = ( -0.3450747 0.6549253 0.0757576), wk = 0.0026738 k( 257) = ( -0.3450747 0.6549253 0.0909091), wk = 0.0026738 k( 258) = ( -0.3450747 0.6549253 0.1060606), wk = 0.0026738 k( 259) = ( -0.3450747 0.6549253 0.1212121), wk = 0.0026738 k( 260) = ( -0.3450747 0.6549253 0.1363636), wk = 0.0026738 k( 261) = ( -0.3450747 0.6549253 0.1515151), wk = 0.0026738 k( 262) = ( -0.3450747 0.6549253 0.1666667), wk = 0.0026738 k( 263) = ( -0.3450747 0.6549253 0.1818182), wk = 0.0026738 k( 264) = ( -0.3450747 0.6549253 0.1969697), wk = 0.0026738 k( 265) = ( -0.3450747 0.6549253 0.2121212), wk = 0.0026738 k( 266) = ( -0.3450747 0.6549253 0.2272727), wk = 0.0026738 k( 267) = ( -0.3450747 0.6549253 0.2424242), wk = 0.0026738 k( 268) = ( -0.3450747 0.6549253 0.2575758), wk = 0.0026738 k( 269) = ( -0.3450747 0.6549253 0.2727273), wk = 0.0026738 k( 270) = ( -0.3450747 0.6549253 0.2878788), wk = 0.0026738 k( 271) = ( -0.3450747 0.6549253 0.3030303), wk = 0.0026738 k( 272) = ( -0.3450747 0.6549253 0.3181818), wk = 0.0026738 k( 273) = ( -0.3450747 0.6549253 0.3333333), wk = 0.0026738 k( 274) = ( -0.3450747 0.6549253 0.3484849), wk = 0.0026738 k( 275) = ( -0.3450747 0.6549253 0.3636364), wk = 0.0026738 k( 276) = ( -0.3450747 0.6549253 0.3787879), wk = 0.0026738 k( 277) = ( -0.3450747 0.6549253 0.3939394), wk = 0.0026738 k( 278) = ( -0.3450747 0.6549253 0.4090909), wk = 0.0026738 k( 279) = ( -0.3450747 0.6549253 0.4242424), wk = 0.0026738 k( 280) = ( -0.3450747 0.6549253 0.4393939), wk = 0.0026738 k( 281) = ( -0.3450747 0.6549253 0.4545455), wk = 0.0026738 k( 282) = ( -0.3450747 0.6549253 0.4696970), wk = 0.0026738 k( 283) = ( -0.3450747 0.6549253 0.4848485), wk = 0.0026738 k( 284) = ( -0.3450747 0.6549253 0.5000000), wk = 0.0026738 k( 285) = ( -0.3450747 0.6549253 0.5000000), wk = 0.0026738 k( 286) = ( -0.3536817 0.6463184 0.5000000), wk = 0.0026738 k( 287) = ( -0.3622886 0.6377114 0.5000000), wk = 0.0026738 k( 288) = ( -0.3708956 0.6291044 0.5000000), wk = 0.0026738 k( 289) = ( -0.3795025 0.6204975 0.5000000), wk = 0.0026738 k( 290) = ( -0.3881095 0.6118905 0.5000000), wk = 0.0026738 k( 291) = ( -0.3967165 0.6032835 0.5000000), wk = 0.0026738 k( 292) = ( -0.4053234 0.5946766 0.5000000), wk = 0.0026738 k( 293) = ( -0.4139304 0.5860696 0.5000000), wk = 0.0026738 k( 294) = ( -0.4225373 0.5774627 0.5000000), wk = 0.0026738 k( 295) = ( -0.4311443 0.5688557 0.5000000), wk = 0.0026738 k( 296) = ( -0.4397513 0.5602487 0.5000000), wk = 0.0026738 k( 297) = ( -0.4483582 0.5516418 0.5000000), wk = 0.0026738 k( 298) = ( -0.4569652 0.5430348 0.5000000), wk = 0.0026738 k( 299) = ( -0.4655722 0.5344279 0.5000000), wk = 0.0026738 k( 300) = ( -0.4741791 0.5258209 0.5000000), wk = 0.0026738 k( 301) = ( -0.4827861 0.5172139 0.5000000), wk = 0.0026738 k( 302) = ( -0.4913930 0.5086070 0.5000000), wk = 0.0026738 k( 303) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026738 k( 304) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026738 k( 305) = ( -0.5000000 0.5000000 0.4848485), wk = 0.0026738 k( 306) = ( -0.5000000 0.5000000 0.4696970), wk = 0.0026738 k( 307) = ( -0.5000000 0.5000000 0.4545455), wk = 0.0026738 k( 308) = ( -0.5000000 0.5000000 0.4393939), wk = 0.0026738 k( 309) = ( -0.5000000 0.5000000 0.4242424), wk = 0.0026738 k( 310) = ( -0.5000000 0.5000000 0.4090909), wk = 0.0026738 k( 311) = ( -0.5000000 0.5000000 0.3939394), wk = 0.0026738 k( 312) = ( -0.5000000 0.5000000 0.3787879), wk = 0.0026738 k( 313) = ( -0.5000000 0.5000000 0.3636364), wk = 0.0026738 k( 314) = ( -0.5000000 0.5000000 0.3484849), wk = 0.0026738 k( 315) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0026738 k( 316) = ( -0.5000000 0.5000000 0.3181818), wk = 0.0026738 k( 317) = ( -0.5000000 0.5000000 0.3030303), wk = 0.0026738 k( 318) = ( -0.5000000 0.5000000 0.2878788), wk = 0.0026738 k( 319) = ( -0.5000000 0.5000000 0.2727273), wk = 0.0026738 k( 320) = ( -0.5000000 0.5000000 0.2575758), wk = 0.0026738 k( 321) = ( -0.5000000 0.5000000 0.2424242), wk = 0.0026738 k( 322) = ( -0.5000000 0.5000000 0.2272727), wk = 0.0026738 k( 323) = ( -0.5000000 0.5000000 0.2121212), wk = 0.0026738 k( 324) = ( -0.5000000 0.5000000 0.1969697), wk = 0.0026738 k( 325) = ( -0.5000000 0.5000000 0.1818182), wk = 0.0026738 k( 326) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0026738 k( 327) = ( -0.5000000 0.5000000 0.1515151), wk = 0.0026738 k( 328) = ( -0.5000000 0.5000000 0.1363636), wk = 0.0026738 k( 329) = ( -0.5000000 0.5000000 0.1212121), wk = 0.0026738 k( 330) = ( -0.5000000 0.5000000 0.1060606), wk = 0.0026738 k( 331) = ( -0.5000000 0.5000000 0.0909091), wk = 0.0026738 k( 332) = ( -0.5000000 0.5000000 0.0757576), wk = 0.0026738 k( 333) = ( -0.5000000 0.5000000 0.0606061), wk = 0.0026738 k( 334) = ( -0.5000000 0.5000000 0.0454546), wk = 0.0026738 k( 335) = ( -0.5000000 0.5000000 0.0303030), wk = 0.0026738 k( 336) = ( -0.5000000 0.5000000 0.0151515), wk = 0.0026738 k( 337) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0026738 k( 338) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026738 k( 339) = ( -0.0138889 0.0138889 0.5000000), wk = 0.0026738 k( 340) = ( -0.0277778 0.0277778 0.5000000), wk = 0.0026738 k( 341) = ( -0.0416667 0.0416667 0.5000000), wk = 0.0026738 k( 342) = ( -0.0555556 0.0555556 0.5000000), wk = 0.0026738 k( 343) = ( -0.0694444 0.0694444 0.5000000), wk = 0.0026738 k( 344) = ( -0.0833333 0.0833333 0.5000000), wk = 0.0026738 k( 345) = ( -0.0972222 0.0972222 0.5000000), wk = 0.0026738 k( 346) = ( -0.1111111 0.1111111 0.5000000), wk = 0.0026738 k( 347) = ( -0.1250000 0.1250000 0.5000000), wk = 0.0026738 k( 348) = ( -0.1388889 0.1388889 0.5000000), wk = 0.0026738 k( 349) = ( -0.1527778 0.1527778 0.5000000), wk = 0.0026738 k( 350) = ( -0.1666667 0.1666667 0.5000000), wk = 0.0026738 k( 351) = ( -0.1805556 0.1805556 0.5000000), wk = 0.0026738 k( 352) = ( -0.1944444 0.1944444 0.5000000), wk = 0.0026738 k( 353) = ( -0.2083333 0.2083333 0.5000000), wk = 0.0026738 k( 354) = ( -0.2222222 0.2222222 0.5000000), wk = 0.0026738 k( 355) = ( -0.2361111 0.2361111 0.5000000), wk = 0.0026738 k( 356) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0026738 k( 357) = ( -0.2638889 0.2638889 0.5000000), wk = 0.0026738 k( 358) = ( -0.2777778 0.2777778 0.5000000), wk = 0.0026738 k( 359) = ( -0.2916667 0.2916667 0.5000000), wk = 0.0026738 k( 360) = ( -0.3055556 0.3055556 0.5000000), wk = 0.0026738 k( 361) = ( -0.3194444 0.3194444 0.5000000), wk = 0.0026738 k( 362) = ( -0.3333333 0.3333333 0.5000000), wk = 0.0026738 k( 363) = ( -0.3472222 0.3472222 0.5000000), wk = 0.0026738 k( 364) = ( -0.3611111 0.3611111 0.5000000), wk = 0.0026738 k( 365) = ( -0.3750000 0.3750000 0.5000000), wk = 0.0026738 k( 366) = ( -0.3888889 0.3888889 0.5000000), wk = 0.0026738 k( 367) = ( -0.4027778 0.4027778 0.5000000), wk = 0.0026738 k( 368) = ( -0.4166667 0.4166667 0.5000000), wk = 0.0026738 k( 369) = ( -0.4305556 0.4305556 0.5000000), wk = 0.0026738 k( 370) = ( -0.4444444 0.4444444 0.5000000), wk = 0.0026738 k( 371) = ( -0.4583333 0.4583333 0.5000000), wk = 0.0026738 k( 372) = ( -0.4722222 0.4722222 0.5000000), wk = 0.0026738 k( 373) = ( -0.4861111 0.4861111 0.5000000), wk = 0.0026738 k( 374) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026738 Dense grid: 76767 G-vectors FFT dimensions: ( 60, 60, 54) Smooth grid: 33929 G-vectors FFT dimensions: ( 45, 45, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.18 Mb ( 198, 58) NL pseudopotentials 0.33 Mb ( 99, 220) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1602) G-vector shells 0.01 Mb ( 824) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.70 Mb ( 198, 232) Each subspace H/S matrix 0.82 Mb ( 232, 232) Each matrix 0.39 Mb ( 220, 2, 58) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./Si2N2O.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 43.6 secs Computing kpt #: 2 total cpu time spent up to now is 46.3 secs Computing kpt #: 3 total cpu time spent up to now is 49.2 secs Computing kpt #: 4 total cpu time spent up to now is 51.9 secs Computing kpt #: 5 total cpu time spent up to now is 54.8 secs Computing kpt #: 6 total cpu time spent up to now is 57.8 secs Computing kpt #: 7 total cpu time spent up to now is 60.4 secs Computing kpt #: 8 total cpu time spent up to now is 63.1 secs Computing kpt #: 9 total cpu time spent up to now is 66.4 secs Computing kpt #: 10 total cpu time spent up to now is 68.9 secs Computing kpt #: 11 total cpu time spent up to now is 71.5 secs Computing kpt #: 12 total cpu time spent up to now is 74.1 secs Computing kpt #: 13 total cpu time spent up to now is 76.6 secs Computing kpt #: 14 total cpu time spent up to now is 79.2 secs Computing kpt #: 15 total cpu time spent up to now is 81.8 secs Computing kpt #: 16 total cpu time spent up to now is 85.0 secs Computing kpt #: 17 total cpu time spent up to now is 87.8 secs Computing kpt #: 18 total cpu time spent up to now is 90.8 secs Computing kpt #: 19 total cpu time spent up to now is 93.8 secs Computing kpt #: 20 total cpu time spent up to now is 96.9 secs Computing kpt #: 21 total cpu time spent up to now is 99.8 secs Computing kpt #: 22 total cpu time spent up to now is 102.7 secs Computing kpt #: 23 total cpu time spent up to now is 106.0 secs Computing kpt #: 24 total cpu time spent up to now is 109.6 secs Computing kpt #: 25 total cpu time spent up to now is 113.1 secs Computing kpt #: 26 total cpu time spent up to now is 116.3 secs Computing kpt #: 27 total cpu time spent up to now is 119.2 secs Computing kpt #: 28 total cpu time spent up to now is 122.2 secs Computing kpt #: 29 total cpu time spent up to now is 126.9 secs Computing kpt #: 30 total cpu time spent up to now is 129.6 secs Computing kpt #: 31 total cpu time spent up to now is 132.4 secs Computing kpt #: 32 total cpu time spent up to now is 135.4 secs Computing kpt #: 33 total cpu time spent up to now is 138.3 secs Computing kpt #: 34 total cpu time spent up to now is 141.3 secs Computing kpt #: 35 total cpu time spent up to now is 144.6 secs Computing kpt #: 36 total cpu time spent up to now is 149.3 secs Computing kpt #: 37 total cpu time spent up to now is 153.9 secs Computing kpt #: 38 total cpu time spent up to now is 157.7 secs Computing kpt #: 39 total cpu time spent up to now is 161.1 secs Computing kpt #: 40 total cpu time spent up to now is 164.2 secs Computing kpt #: 41 total cpu time spent up to now is 168.0 secs Computing kpt #: 42 total cpu time spent up to now is 171.8 secs Computing kpt #: 43 total cpu time spent up to now is 175.3 secs Computing kpt #: 44 total cpu time spent up to now is 178.4 secs Computing kpt #: 45 total cpu time spent up to now is 182.0 secs Computing kpt #: 46 total cpu time spent up to now is 185.8 secs Computing kpt #: 47 total cpu time spent up to now is 189.8 secs Computing kpt #: 48 total cpu time spent up to now is 194.6 secs Computing kpt #: 49 total cpu time spent up to now is 200.1 secs Computing kpt #: 50 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 205.8 secs Computing kpt #: 51 total cpu time spent up to now is 210.6 secs Computing kpt #: 52 total cpu time spent up to now is 214.3 secs Computing kpt #: 53 total cpu time spent up to now is 217.6 secs Computing kpt #: 54 total cpu time spent up to now is 220.7 secs Computing kpt #: 55 total cpu time spent up to now is 223.8 secs Computing kpt #: 56 total cpu time spent up to now is 226.8 secs Computing kpt #: 57 total cpu time spent up to now is 229.9 secs Computing kpt #: 58 total cpu time spent up to now is 232.9 secs Computing kpt #: 59 total cpu time spent up to now is 235.7 secs Computing kpt #: 60 total cpu time spent up to now is 239.0 secs Computing kpt #: 61 total cpu time spent up to now is 242.0 secs Computing kpt #: 62 total cpu time spent up to now is 244.5 secs Computing kpt #: 63 total cpu time spent up to now is 246.9 secs Computing kpt #: 64 total cpu time spent up to now is 249.6 secs Computing kpt #: 65 total cpu time spent up to now is 252.1 secs Computing kpt #: 66 total cpu time spent up to now is 254.6 secs Computing kpt #: 67 total cpu time spent up to now is 257.5 secs Computing kpt #: 68 total cpu time spent up to now is 261.4 secs Computing kpt #: 69 total cpu time spent up to now is 263.9 secs Computing kpt #: 70 total cpu time spent up to now is 266.9 secs Computing kpt #: 71 total cpu time spent up to now is 269.7 secs Computing kpt #: 72 total cpu time spent up to now is 272.5 secs Computing kpt #: 73 total cpu time spent up to now is 275.5 secs Computing kpt #: 74 total cpu time spent up to now is 279.1 secs Computing kpt #: 75 total cpu time spent up to now is 282.1 secs Computing kpt #: 76 total cpu time spent up to now is 285.5 secs Computing kpt #: 77 total cpu time spent up to now is 289.0 secs Computing kpt #: 78 total cpu time spent up to now is 292.3 secs Computing kpt #: 79 total cpu time spent up to now is 296.1 secs Computing kpt #: 80 total cpu time spent up to now is 300.3 secs Computing kpt #: 81 total cpu time spent up to now is 305.7 secs Computing kpt #: 82 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 311.2 secs Computing kpt #: 83 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 316.6 secs Computing kpt #: 84 total cpu time spent up to now is 320.3 secs Computing kpt #: 85 total cpu time spent up to now is 323.9 secs Computing kpt #: 86 total cpu time spent up to now is 327.3 secs Computing kpt #: 87 total cpu time spent up to now is 330.3 secs Computing kpt #: 88 total cpu time spent up to now is 332.9 secs Computing kpt #: 89 total cpu time spent up to now is 335.9 secs Computing kpt #: 90 total cpu time spent up to now is 338.8 secs Computing kpt #: 91 total cpu time spent up to now is 341.5 secs Computing kpt #: 92 total cpu time spent up to now is 344.5 secs Computing kpt #: 93 total cpu time spent up to now is 347.5 secs Computing kpt #: 94 total cpu time spent up to now is 350.4 secs Computing kpt #: 95 total cpu time spent up to now is 353.5 secs Computing kpt #: 96 total cpu time spent up to now is 356.7 secs Computing kpt #: 97 total cpu time spent up to now is 360.2 secs Computing kpt #: 98 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 365.3 secs Computing kpt #: 99 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 370.5 secs Computing kpt #: 100 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 375.7 secs Computing kpt #: 101 total cpu time spent up to now is 379.4 secs Computing kpt #: 102 total cpu time spent up to now is 383.3 secs Computing kpt #: 103 total cpu time spent up to now is 386.8 secs Computing kpt #: 104 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 392.0 secs Computing kpt #: 105 total cpu time spent up to now is 395.4 secs Computing kpt #: 106 total cpu time spent up to now is 399.1 secs Computing kpt #: 107 total cpu time spent up to now is 402.7 secs Computing kpt #: 108 total cpu time spent up to now is 406.0 secs Computing kpt #: 109 total cpu time spent up to now is 409.8 secs Computing kpt #: 110 total cpu time spent up to now is 413.2 secs Computing kpt #: 111 total cpu time spent up to now is 416.6 secs Computing kpt #: 112 total cpu time spent up to now is 420.2 secs Computing kpt #: 113 total cpu time spent up to now is 423.5 secs Computing kpt #: 114 total cpu time spent up to now is 426.9 secs Computing kpt #: 115 total cpu time spent up to now is 430.4 secs Computing kpt #: 116 total cpu time spent up to now is 434.0 secs Computing kpt #: 117 total cpu time spent up to now is 437.8 secs Computing kpt #: 118 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 443.2 secs Computing kpt #: 119 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 448.8 secs Computing kpt #: 120 total cpu time spent up to now is 454.0 secs Computing kpt #: 121 total cpu time spent up to now is 457.7 secs Computing kpt #: 122 total cpu time spent up to now is 461.0 secs Computing kpt #: 123 total cpu time spent up to now is 464.6 secs Computing kpt #: 124 total cpu time spent up to now is 468.0 secs Computing kpt #: 125 total cpu time spent up to now is 471.5 secs Computing kpt #: 126 total cpu time spent up to now is 474.0 secs Computing kpt #: 127 total cpu time spent up to now is 476.8 secs Computing kpt #: 128 total cpu time spent up to now is 479.6 secs Computing kpt #: 129 total cpu time spent up to now is 482.9 secs Computing kpt #: 130 total cpu time spent up to now is 486.2 secs Computing kpt #: 131 total cpu time spent up to now is 488.8 secs Computing kpt #: 132 total cpu time spent up to now is 493.2 secs Computing kpt #: 133 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 498.2 secs Computing kpt #: 134 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 503.0 secs Computing kpt #: 135 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 508.1 secs Computing kpt #: 136 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 513.1 secs Computing kpt #: 137 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 518.0 secs Computing kpt #: 138 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 522.9 secs Computing kpt #: 139 total cpu time spent up to now is 527.4 secs Computing kpt #: 140 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 532.7 secs Computing kpt #: 141 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 537.7 secs Computing kpt #: 142 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 542.8 secs Computing kpt #: 143 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 547.7 secs Computing kpt #: 144 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 552.7 secs Computing kpt #: 145 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 558.6 secs Computing kpt #: 146 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 563.6 secs Computing kpt #: 147 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 568.7 secs Computing kpt #: 148 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 573.9 secs Computing kpt #: 149 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 578.7 secs Computing kpt #: 150 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 583.5 secs Computing kpt #: 151 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 589.8 secs Computing kpt #: 152 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 594.6 secs Computing kpt #: 153 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 599.7 secs Computing kpt #: 154 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 604.9 secs Computing kpt #: 155 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 610.1 secs Computing kpt #: 156 total cpu time spent up to now is 613.3 secs Computing kpt #: 157 total cpu time spent up to now is 615.7 secs Computing kpt #: 158 total cpu time spent up to now is 618.3 secs Computing kpt #: 159 total cpu time spent up to now is 620.5 secs Computing kpt #: 160 total cpu time spent up to now is 622.9 secs Computing kpt #: 161 total cpu time spent up to now is 625.2 secs Computing kpt #: 162 total cpu time spent up to now is 628.0 secs Computing kpt #: 163 total cpu time spent up to now is 630.9 secs Computing kpt #: 164 total cpu time spent up to now is 634.1 secs Computing kpt #: 165 total cpu time spent up to now is 637.1 secs Computing kpt #: 166 total cpu time spent up to now is 639.4 secs Computing kpt #: 167 total cpu time spent up to now is 642.4 secs Computing kpt #: 168 total cpu time spent up to now is 644.7 secs Computing kpt #: 169 total cpu time spent up to now is 647.0 secs Computing kpt #: 170 total cpu time spent up to now is 649.4 secs Computing kpt #: 171 total cpu time spent up to now is 651.9 secs Computing kpt #: 172 total cpu time spent up to now is 654.5 secs Computing kpt #: 173 total cpu time spent up to now is 656.7 secs Computing kpt #: 174 total cpu time spent up to now is 659.4 secs Computing kpt #: 175 total cpu time spent up to now is 662.3 secs Computing kpt #: 176 total cpu time spent up to now is 664.7 secs Computing kpt #: 177 total cpu time spent up to now is 668.5 secs Computing kpt #: 178 total cpu time spent up to now is 671.4 secs Computing kpt #: 179 total cpu time spent up to now is 674.3 secs Computing kpt #: 180 total cpu time spent up to now is 677.3 secs Computing kpt #: 181 total cpu time spent up to now is 680.3 secs Computing kpt #: 182 total cpu time spent up to now is 682.9 secs Computing kpt #: 183 total cpu time spent up to now is 685.8 secs Computing kpt #: 184 total cpu time spent up to now is 688.2 secs Computing kpt #: 185 total cpu time spent up to now is 691.1 secs Computing kpt #: 186 total cpu time spent up to now is 694.2 secs Computing kpt #: 187 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 699.4 secs Computing kpt #: 188 total cpu time spent up to now is 703.5 secs Computing kpt #: 189 total cpu time spent up to now is 707.5 secs Computing kpt #: 190 total cpu time spent up to now is 710.5 secs Computing kpt #: 191 total cpu time spent up to now is 713.1 secs Computing kpt #: 192 total cpu time spent up to now is 715.6 secs Computing kpt #: 193 total cpu time spent up to now is 718.3 secs Computing kpt #: 194 total cpu time spent up to now is 720.8 secs Computing kpt #: 195 total cpu time spent up to now is 723.6 secs Computing kpt #: 196 total cpu time spent up to now is 726.4 secs Computing kpt #: 197 total cpu time spent up to now is 729.0 secs Computing kpt #: 198 total cpu time spent up to now is 731.9 secs Computing kpt #: 199 total cpu time spent up to now is 735.2 secs Computing kpt #: 200 total cpu time spent up to now is 737.7 secs Computing kpt #: 201 total cpu time spent up to now is 741.2 secs Computing kpt #: 202 total cpu time spent up to now is 744.3 secs Computing kpt #: 203 total cpu time spent up to now is 746.9 secs Computing kpt #: 204 total cpu time spent up to now is 749.7 secs Computing kpt #: 205 total cpu time spent up to now is 752.2 secs Computing kpt #: 206 total cpu time spent up to now is 755.0 secs Computing kpt #: 207 total cpu time spent up to now is 757.4 secs Computing kpt #: 208 total cpu time spent up to now is 760.1 secs Computing kpt #: 209 total cpu time spent up to now is 762.6 secs Computing kpt #: 210 total cpu time spent up to now is 765.3 secs Computing kpt #: 211 total cpu time spent up to now is 767.8 secs Computing kpt #: 212 total cpu time spent up to now is 770.5 secs Computing kpt #: 213 total cpu time spent up to now is 773.0 secs Computing kpt #: 214 total cpu time spent up to now is 775.9 secs Computing kpt #: 215 total cpu time spent up to now is 778.8 secs Computing kpt #: 216 total cpu time spent up to now is 781.6 secs Computing kpt #: 217 total cpu time spent up to now is 784.5 secs Computing kpt #: 218 total cpu time spent up to now is 787.4 secs Computing kpt #: 219 total cpu time spent up to now is 790.1 secs Computing kpt #: 220 total cpu time spent up to now is 792.9 secs Computing kpt #: 221 total cpu time spent up to now is 795.8 secs Computing kpt #: 222 total cpu time spent up to now is 798.6 secs Computing kpt #: 223 total cpu time spent up to now is 801.4 secs Computing kpt #: 224 total cpu time spent up to now is 804.7 secs Computing kpt #: 225 total cpu time spent up to now is 807.5 secs Computing kpt #: 226 total cpu time spent up to now is 810.4 secs Computing kpt #: 227 total cpu time spent up to now is 813.3 secs Computing kpt #: 228 total cpu time spent up to now is 816.3 secs Computing kpt #: 229 total cpu time spent up to now is 819.2 secs Computing kpt #: 230 total cpu time spent up to now is 822.1 secs Computing kpt #: 231 total cpu time spent up to now is 825.0 secs Computing kpt #: 232 total cpu time spent up to now is 827.7 secs Computing kpt #: 233 total cpu time spent up to now is 830.5 secs Computing kpt #: 234 total cpu time spent up to now is 833.5 secs Computing kpt #: 235 total cpu time spent up to now is 836.4 secs Computing kpt #: 236 total cpu time spent up to now is 840.3 secs Computing kpt #: 237 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 845.6 secs Computing kpt #: 238 total cpu time spent up to now is 848.6 secs Computing kpt #: 239 total cpu time spent up to now is 851.5 secs Computing kpt #: 240 total cpu time spent up to now is 854.5 secs Computing kpt #: 241 total cpu time spent up to now is 857.2 secs Computing kpt #: 242 total cpu time spent up to now is 860.2 secs Computing kpt #: 243 total cpu time spent up to now is 862.9 secs Computing kpt #: 244 total cpu time spent up to now is 865.9 secs Computing kpt #: 245 total cpu time spent up to now is 868.7 secs Computing kpt #: 246 total cpu time spent up to now is 871.9 secs Computing kpt #: 247 total cpu time spent up to now is 874.9 secs Computing kpt #: 248 total cpu time spent up to now is 878.3 secs Computing kpt #: 249 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 883.9 secs Computing kpt #: 250 total cpu time spent up to now is 887.6 secs Computing kpt #: 251 total cpu time spent up to now is 892.2 secs Computing kpt #: 252 total cpu time spent up to now is 896.5 secs Computing kpt #: 253 total cpu time spent up to now is 900.2 secs Computing kpt #: 254 total cpu time spent up to now is 903.5 secs Computing kpt #: 255 total cpu time spent up to now is 906.7 secs Computing kpt #: 256 total cpu time spent up to now is 909.7 secs Computing kpt #: 257 total cpu time spent up to now is 913.0 secs Computing kpt #: 258 total cpu time spent up to now is 915.9 secs Computing kpt #: 259 total cpu time spent up to now is 918.8 secs Computing kpt #: 260 total cpu time spent up to now is 921.6 secs Computing kpt #: 261 total cpu time spent up to now is 924.2 secs Computing kpt #: 262 total cpu time spent up to now is 926.9 secs Computing kpt #: 263 total cpu time spent up to now is 929.4 secs Computing kpt #: 264 total cpu time spent up to now is 931.9 secs Computing kpt #: 265 total cpu time spent up to now is 934.3 secs Computing kpt #: 266 total cpu time spent up to now is 936.7 secs Computing kpt #: 267 total cpu time spent up to now is 939.2 secs Computing kpt #: 268 total cpu time spent up to now is 941.6 secs Computing kpt #: 269 total cpu time spent up to now is 944.1 secs Computing kpt #: 270 total cpu time spent up to now is 946.7 secs Computing kpt #: 271 total cpu time spent up to now is 949.6 secs Computing kpt #: 272 total cpu time spent up to now is 952.1 secs Computing kpt #: 273 total cpu time spent up to now is 954.6 secs Computing kpt #: 274 total cpu time spent up to now is 957.6 secs Computing kpt #: 275 total cpu time spent up to now is 960.3 secs Computing kpt #: 276 total cpu time spent up to now is 962.9 secs Computing kpt #: 277 total cpu time spent up to now is 965.9 secs Computing kpt #: 278 total cpu time spent up to now is 968.6 secs Computing kpt #: 279 total cpu time spent up to now is 971.4 secs Computing kpt #: 280 total cpu time spent up to now is 974.5 secs Computing kpt #: 281 total cpu time spent up to now is 977.2 secs Computing kpt #: 282 total cpu time spent up to now is 980.1 secs Computing kpt #: 283 total cpu time spent up to now is 983.0 secs Computing kpt #: 284 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 988.2 secs Computing kpt #: 285 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 993.4 secs Computing kpt #: 286 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 998.5 secs Computing kpt #: 287 total cpu time spent up to now is 1000.8 secs Computing kpt #: 288 total cpu time spent up to now is 1003.3 secs Computing kpt #: 289 total cpu time spent up to now is 1008.1 secs Computing kpt #: 290 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1013.2 secs Computing kpt #: 291 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1018.7 secs Computing kpt #: 292 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1023.8 secs Computing kpt #: 293 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1029.0 secs Computing kpt #: 294 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1034.3 secs Computing kpt #: 295 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1039.6 secs Computing kpt #: 296 total cpu time spent up to now is 1043.0 secs Computing kpt #: 297 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1048.2 secs Computing kpt #: 298 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1053.4 secs Computing kpt #: 299 total cpu time spent up to now is 1056.4 secs Computing kpt #: 300 total cpu time spent up to now is 1061.1 secs Computing kpt #: 301 total cpu time spent up to now is 1063.5 secs Computing kpt #: 302 total cpu time spent up to now is 1066.1 secs Computing kpt #: 303 total cpu time spent up to now is 1068.5 secs Computing kpt #: 304 total cpu time spent up to now is 1070.7 secs Computing kpt #: 305 total cpu time spent up to now is 1073.9 secs Computing kpt #: 306 total cpu time spent up to now is 1076.8 secs Computing kpt #: 307 total cpu time spent up to now is 1079.7 secs Computing kpt #: 308 total cpu time spent up to now is 1082.6 secs Computing kpt #: 309 total cpu time spent up to now is 1085.4 secs Computing kpt #: 310 total cpu time spent up to now is 1088.2 secs Computing kpt #: 311 total cpu time spent up to now is 1090.7 secs Computing kpt #: 312 total cpu time spent up to now is 1093.5 secs Computing kpt #: 313 total cpu time spent up to now is 1095.9 secs Computing kpt #: 314 total cpu time spent up to now is 1098.5 secs Computing kpt #: 315 total cpu time spent up to now is 1101.0 secs Computing kpt #: 316 total cpu time spent up to now is 1103.8 secs Computing kpt #: 317 total cpu time spent up to now is 1106.4 secs Computing kpt #: 318 total cpu time spent up to now is 1108.7 secs Computing kpt #: 319 total cpu time spent up to now is 1111.1 secs Computing kpt #: 320 total cpu time spent up to now is 1113.7 secs Computing kpt #: 321 total cpu time spent up to now is 1116.1 secs Computing kpt #: 322 total cpu time spent up to now is 1119.0 secs Computing kpt #: 323 total cpu time spent up to now is 1122.2 secs Computing kpt #: 324 total cpu time spent up to now is 1125.8 secs Computing kpt #: 325 total cpu time spent up to now is 1129.3 secs Computing kpt #: 326 total cpu time spent up to now is 1132.8 secs Computing kpt #: 327 total cpu time spent up to now is 1136.3 secs Computing kpt #: 328 total cpu time spent up to now is 1139.3 secs Computing kpt #: 329 total cpu time spent up to now is 1142.3 secs Computing kpt #: 330 total cpu time spent up to now is 1145.2 secs Computing kpt #: 331 total cpu time spent up to now is 1148.4 secs Computing kpt #: 332 total cpu time spent up to now is 1151.2 secs Computing kpt #: 333 total cpu time spent up to now is 1154.0 secs Computing kpt #: 334 total cpu time spent up to now is 1157.2 secs Computing kpt #: 335 total cpu time spent up to now is 1160.4 secs Computing kpt #: 336 total cpu time spent up to now is 1163.1 secs Computing kpt #: 337 total cpu time spent up to now is 1166.3 secs Computing kpt #: 338 total cpu time spent up to now is 1168.5 secs Computing kpt #: 339 total cpu time spent up to now is 1171.9 secs Computing kpt #: 340 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1176.8 secs Computing kpt #: 341 total cpu time spent up to now is 1181.4 secs Computing kpt #: 342 total cpu time spent up to now is 1186.5 secs Computing kpt #: 343 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1191.8 secs Computing kpt #: 344 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1196.8 secs Computing kpt #: 345 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1201.9 secs Computing kpt #: 346 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1207.3 secs Computing kpt #: 347 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1212.3 secs Computing kpt #: 348 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1217.2 secs Computing kpt #: 349 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1222.1 secs Computing kpt #: 350 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1228.1 secs Computing kpt #: 351 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1233.2 secs Computing kpt #: 352 total cpu time spent up to now is 1236.9 secs Computing kpt #: 353 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1241.9 secs Computing kpt #: 354 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1247.2 secs Computing kpt #: 355 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1252.1 secs Computing kpt #: 356 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1257.9 secs Computing kpt #: 357 total cpu time spent up to now is 1262.8 secs Computing kpt #: 358 total cpu time spent up to now is 1266.3 secs Computing kpt #: 359 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1272.4 secs Computing kpt #: 360 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1277.5 secs Computing kpt #: 361 total cpu time spent up to now is 1282.4 secs Computing kpt #: 362 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1287.4 secs Computing kpt #: 363 total cpu time spent up to now is 1290.7 secs Computing kpt #: 364 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1296.0 secs Computing kpt #: 365 total cpu time spent up to now is 1299.2 secs Computing kpt #: 366 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1304.7 secs Computing kpt #: 367 total cpu time spent up to now is 1309.1 secs Computing kpt #: 368 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1314.1 secs Computing kpt #: 369 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1320.1 secs Computing kpt #: 370 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1325.2 secs Computing kpt #: 371 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1330.1 secs Computing kpt #: 372 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1335.0 secs Computing kpt #: 373 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1340.6 secs Computing kpt #: 374 total cpu time spent up to now is 1342.8 secs ethr = 2.08E-11, avg # of iterations = 59.3 total cpu time spent up to now is 1343.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4271 PWs) bands (ev): -13.4618 -13.4618 -12.8096 -12.8096 -10.7249 -10.7249 -9.1813 -9.1813 -8.8467 -8.8467 -8.8396 -8.8396 -3.2090 -3.2090 -3.1870 -3.1870 -2.8307 -2.8307 -0.5695 -0.5695 -0.0577 -0.0577 0.1054 0.1054 0.4921 0.4921 1.2356 1.2356 1.6075 1.6075 2.4228 2.4228 3.0262 3.0262 3.5330 3.5330 3.7432 3.7432 3.9237 3.9237 4.0402 4.0402 4.5484 4.5484 4.7316 4.7316 5.5220 5.5220 11.0005 11.0005 12.2282 12.2282 12.2574 12.2574 13.2334 13.2334 13.8679 13.8679 k = 0.0086 0.0140-0.0000 ( 4259 PWs) bands (ev): -13.4614 -13.4614 -12.8096 -12.8096 -10.7243 -10.7243 -9.1914 -9.1900 -8.8464 -8.8459 -8.8334 -8.8316 -3.2400 -3.2389 -3.1544 -3.1528 -2.8299 -2.8297 -0.5702 -0.5695 -0.0590 -0.0586 0.1030 0.1034 0.4917 0.4922 1.2403 1.2419 1.6060 1.6067 2.4207 2.4214 3.0257 3.0264 3.5312 3.5318 3.7433 3.7433 3.9200 3.9214 4.0390 4.0404 4.5484 4.5485 4.7318 4.7320 5.5212 5.5215 11.0034 11.0035 12.2294 12.2299 12.2578 12.2580 13.2336 13.2344 13.8640 13.8649 k = 0.0173 0.0280-0.0000 ( 4263 PWs) bands (ev): -13.4602 -13.4602 -12.8097 -12.8097 -10.7227 -10.7226 -9.2177 -9.2153 -8.8452 -8.8444 -8.8144 -8.8110 -3.2761 -3.2752 -3.1096 -3.1077 -2.8270 -2.8266 -0.5717 -0.5702 -0.0623 -0.0615 0.0965 0.0973 0.4910 0.4920 1.2555 1.2586 1.6021 1.6035 2.4151 2.4165 3.0250 3.0264 3.5265 3.5277 3.7435 3.7436 3.9106 3.9133 4.0369 4.0397 4.5487 4.5489 4.7324 4.7328 5.5189 5.5195 11.0122 11.0122 12.2335 12.2345 12.2594 12.2598 13.2350 13.2365 13.8532 13.8548 k = 0.0259 0.0420-0.0000 ( 4257 PWs) bands (ev): -13.4583 -13.4583 -12.8098 -12.8098 -10.7200 -10.7199 -9.2559 -9.2529 -8.8432 -8.8421 -8.7870 -8.7824 -3.3095 -3.3089 -3.0617 -3.0596 -2.8222 -2.8216 -0.5742 -0.5720 -0.0677 -0.0666 0.0866 0.0877 0.4908 0.4922 1.2805 1.2849 1.5959 1.5979 2.4060 2.4081 3.0240 3.0261 3.5190 3.5209 3.7439 3.7440 3.8956 3.8993 4.0341 4.0378 4.5493 4.5495 4.7334 4.7340 5.5152 5.5162 11.0267 11.0268 12.2405 12.2419 12.2621 12.2628 13.2376 13.2399 13.8349 13.8370 k = 0.0345 0.0560-0.0000 ( 4257 PWs) bands (ev): -13.4557 -13.4556 -12.8100 -12.8100 -10.7162 -10.7161 -9.3020 -9.2988 -8.8405 -8.8391 -8.7552 -8.7499 -3.3397 -3.3393 -3.0114 -3.0090 -2.8154 -2.8146 -0.5782 -0.5752 -0.0753 -0.0737 0.0742 0.0754 0.4915 0.4932 1.3141 1.3197 1.5873 1.5899 2.3935 2.3963 3.0227 3.0254 3.5091 3.5116 3.7444 3.7446 3.8753 3.8797 4.0303 4.0349 4.5501 4.5504 4.7345 4.7352 5.5104 5.5116 11.0468 11.0469 12.2501 12.2520 12.2659 12.2667 13.2416 13.2445 13.8092 13.8116 k = 0.0431 0.0699-0.0000 ( 4259 PWs) bands (ev): -13.4523 -13.4522 -12.8103 -12.8103 -10.7113 -10.7111 -9.3535 -9.3502 -8.8369 -8.8353 -8.7218 -8.7158 -3.3665 -3.3664 -2.9588 -2.9561 -2.8067 -2.8056 -0.5842 -0.5804 -0.0849 -0.0830 0.0606 0.0620 0.4938 0.4957 1.3549 1.3615 1.5763 1.5795 2.3776 2.3810 3.0209 3.0244 3.4970 3.5002 3.7451 3.7454 3.8499 3.8548 4.0257 4.0309 4.5511 4.5515 4.7352 4.7362 5.5045 5.5060 11.0724 11.0726 12.2624 12.2648 12.2706 12.2716 13.2469 13.2503 13.7772 13.7798 k = 0.0518 0.0839-0.0000 ( 4259 PWs) bands (ev): -13.4481 -13.4481 -12.8106 -12.8106 -10.7052 -10.7051 -9.4087 -9.4054 -8.8326 -8.8306 -8.6884 -8.6820 -3.3899 -3.3898 -2.9041 -2.9013 -2.7960 -2.7947 -0.5929 -0.5882 -0.0968 -0.0945 0.0474 0.0487 0.4981 0.5001 1.4016 1.4090 1.5629 1.5667 2.3582 2.3622 3.0185 3.0229 3.4830 3.4869 3.7459 3.7464 3.8200 3.8251 4.0202 4.0258 4.5524 4.5529 4.7353 4.7365 5.4976 5.4996 11.1033 11.1035 12.2758 12.2774 12.2775 12.2800 13.2536 13.2575 13.7407 13.7433 k = 0.0604 0.0979-0.0000 ( 4263 PWs) bands (ev): -13.4432 -13.4432 -12.8110 -12.8110 -10.6981 -10.6980 -9.4665 -9.4633 -8.8275 -8.8252 -8.6562 -8.6493 -3.4099 -3.4095 -2.8477 -2.8447 -2.7833 -2.7819 -0.6049 -0.5995 -0.1108 -0.1082 0.0362 0.0374 0.5045 0.5066 1.4530 1.4611 1.5470 1.5514 2.3356 2.3401 3.0155 3.0207 3.4677 3.4723 3.7464 3.7474 3.7863 3.7910 4.0139 4.0198 4.5540 4.5546 4.7344 4.7357 5.4901 5.4924 11.1393 11.1395 12.2823 12.2839 12.2944 12.2975 13.2618 13.2660 13.7013 13.7039 k = 0.0690 0.1119-0.0000 ( 4255 PWs) bands (ev): -13.4377 -13.4376 -12.8114 -12.8114 -10.6899 -10.6897 -9.5263 -9.5232 -8.8216 -8.8190 -8.6257 -8.6185 -3.4263 -3.4256 -2.7897 -2.7864 -2.7687 -2.7671 -0.6210 -0.6147 -0.1271 -0.1241 0.0283 0.0294 0.5133 0.5155 1.5080 1.5163 1.5291 1.5337 2.3097 2.3148 3.0117 3.0178 3.4514 3.4567 3.7392 3.7452 3.7565 3.7566 4.0067 4.0129 4.5559 4.5566 4.7319 4.7334 5.4821 5.4847 11.1800 11.1803 12.2892 12.2910 12.3136 12.3173 13.2715 13.2759 13.6607 13.6633 k = 0.0776 0.1259-0.0000 ( 4251 PWs) bands (ev): -13.4314 -13.4313 -12.8119 -12.8119 -10.6805 -10.6803 -9.5875 -9.5845 -8.8150 -8.8121 -8.5974 -8.5899 -3.4390 -3.4382 -2.7523 -2.7504 -2.7301 -2.7267 -0.6413 -0.6343 -0.1457 -0.1423 0.0251 0.0259 0.5244 0.5268 1.5075 1.5132 1.5659 1.5753 2.2807 2.2862 3.0070 3.0140 3.4346 3.4404 3.7022 3.7090 3.7528 3.7536 3.9989 4.0052 4.5581 4.5589 4.7276 4.7292 5.4738 5.4768 11.2252 11.2256 12.2965 12.2986 12.3349 12.3390 13.2827 13.2871 13.6203 13.6227 k = 0.0863 0.1399-0.0000 ( 4251 PWs) bands (ev): -13.4245 -13.4244 -12.8124 -12.8124 -10.6700 -10.6698 -9.6498 -9.6470 -8.8077 -8.8044 -8.5716 -8.5638 -3.4482 -3.4471 -2.7338 -2.7318 -2.6694 -2.6659 -0.6660 -0.6583 -0.1666 -0.1628 0.0271 0.0277 0.5379 0.5403 1.4841 1.4902 1.6257 1.6354 2.2487 2.2547 3.0012 3.0092 3.4173 3.4238 3.6578 3.6643 3.7551 3.7556 3.9902 3.9967 4.5607 4.5615 4.7212 4.7229 5.4653 5.4686 11.2746 11.2751 12.3040 12.3064 12.3582 12.3627 13.2952 13.2995 13.5811 13.5834 k = 0.0949 0.1539-0.0000 ( 4251 PWs) bands (ev): -13.4170 -13.4169 -12.8130 -12.8130 -10.6584 -10.6582 -9.7128 -9.7102 -8.7997 -8.7961 -8.5485 -8.5405 -3.4539 -3.4526 -2.7135 -2.7112 -2.6077 -2.6040 -0.6948 -0.6866 -0.1899 -0.1857 0.0347 0.0352 0.5537 0.5563 1.4579 1.4646 1.6868 1.6969 2.2139 2.2203 2.9943 3.0032 3.3999 3.4070 3.6107 3.6172 3.7582 3.7585 3.9809 3.9875 4.5637 4.5645 4.7123 4.7141 5.4568 5.4604 11.3277 11.3283 12.3116 12.3143 12.3835 12.3883 13.3086 13.3125 13.5446 13.5465 k = 0.1035 0.1679-0.0000 ( 4245 PWs) bands (ev): -13.4088 -13.4087 -12.8136 -12.8136 -10.6456 -10.6453 -9.7764 -9.7739 -8.7910 -8.7871 -8.5282 -8.5200 -3.4561 -3.4547 -2.6912 -2.6888 -2.5451 -2.5413 -0.7272 -0.7185 -0.2156 -0.2111 0.0479 0.0483 0.5719 0.5746 1.4291 1.4362 1.7487 1.7591 2.1765 2.1832 2.9862 2.9960 3.3820 3.3896 3.5623 3.5689 3.7620 3.7623 3.9710 3.9777 4.5670 4.5679 4.7009 4.7028 5.4482 5.4522 11.3843 11.3851 12.3191 12.3221 12.4106 12.4158 13.3220 13.3252 13.5123 13.5135 k = 0.1121 0.1819-0.0000 ( 4243 PWs) bands (ev): -13.4001 -13.4000 -12.8143 -12.8143 -10.6317 -10.6314 -9.8403 -9.8380 -8.7817 -8.7775 -8.5108 -8.5024 -3.4551 -3.4535 -2.6671 -2.6644 -2.4818 -2.4779 -0.7625 -0.7535 -0.2438 -0.2389 0.0663 0.0666 0.5924 0.5953 1.3974 1.4050 1.8109 1.8216 2.1368 2.1439 2.9767 2.9874 3.3629 3.3708 3.5141 3.5210 3.7665 3.7668 3.9605 3.9673 4.5708 4.5718 4.6867 4.6887 5.4396 5.4439 11.4439 11.4448 12.3263 12.3296 12.4396 12.4452 13.3336 13.3354 13.4868 13.4869 k = 0.1208 0.1958-0.0000 ( 4239 PWs) bands (ev): -13.3908 -13.3907 -12.8150 -12.8150 -10.6166 -10.6162 -9.9043 -9.9021 -8.7717 -8.7673 -8.4963 -8.4877 -3.4510 -3.4493 -2.6411 -2.6382 -2.4180 -2.4140 -0.7999 -0.7907 -0.2745 -0.2692 0.0894 0.0896 0.6153 0.6184 1.3628 1.3708 1.8731 1.8840 2.0950 2.1024 2.9660 2.9776 3.3407 3.3486 3.4688 3.4761 3.7720 3.7722 3.9494 3.9563 4.5750 4.5761 4.6699 4.6720 5.4309 5.4355 11.5062 11.5073 12.3330 12.3366 12.4705 12.4765 13.3395 13.3396 13.4706 13.4720 k = 0.1294 0.2098-0.0000 ( 4243 PWs) bands (ev): -13.3811 -13.3809 -12.8158 -12.8158 -10.6003 -10.5999 -9.9683 -9.9663 -8.7613 -8.7565 -8.4847 -8.4760 -3.4441 -3.4422 -2.6132 -2.6102 -2.3539 -2.3498 -0.8387 -0.8293 -0.3077 -0.3021 0.1166 0.1169 0.6406 0.6439 1.3253 1.3337 1.9347 1.9458 2.0515 2.0592 2.9541 2.9664 3.3121 3.3195 3.4301 3.4383 3.7784 3.7786 3.9378 3.9448 4.5798 4.5809 4.6504 4.6526 5.4220 5.4269 11.5707 11.5720 12.3391 12.3431 12.5034 12.5098 13.3345 13.3361 13.4685 13.4714 k = 0.1380 0.2238-0.0000 ( 4241 PWs) bands (ev): -13.3708 -13.3707 -12.8166 -12.8166 -10.5828 -10.5824 -10.0321 -10.0302 -8.7503 -8.7452 -8.4759 -8.4671 -3.4345 -3.4325 -2.5835 -2.5803 -2.2897 -2.2855 -0.8781 -0.8687 -0.3434 -0.3375 0.1475 0.1478 0.6684 0.6719 1.2848 1.2935 1.9953 2.0068 2.0069 2.0147 2.9410 2.9539 3.2742 3.2810 3.4014 3.4105 3.7858 3.7861 3.9258 3.9328 4.5851 4.5862 4.6284 4.6306 5.4128 5.4180 11.6370 11.6385 12.3445 12.3488 12.5384 12.5451 13.3215 13.3241 13.4801 13.4837 k = 0.1467 0.2378-0.0000 ( 4245 PWs) bands (ev): -13.3601 -13.3600 -12.8174 -12.8174 -10.5641 -10.5637 -10.0956 -10.0938 -8.7388 -8.7335 -8.4700 -8.4611 -3.4225 -3.4205 -2.5520 -2.5486 -2.2254 -2.2212 -0.9176 -0.9081 -0.3818 -0.3755 0.1813 0.1818 0.6988 0.7026 1.2411 1.2501 1.9606 1.9689 2.0554 2.0668 2.9268 2.9403 3.2282 3.2346 3.3819 3.3916 3.7945 3.7948 3.9133 3.9204 4.5910 4.5922 4.6040 4.6063 5.4032 5.4086 11.7048 11.7065 12.3491 12.3538 12.5755 12.5826 13.3051 13.3080 13.5010 13.5046 k = 0.1553 0.2518-0.0000 ( 4247 PWs) bands (ev): -13.3491 -13.3489 -12.8183 -12.8183 -10.5443 -10.5438 -10.1587 -10.1570 -8.7269 -8.7213 -8.4666 -8.4577 -3.4086 -3.4065 -2.5188 -2.5151 -2.1613 -2.1570 -0.9564 -0.9469 -0.4226 -0.4160 0.2177 0.2182 0.7318 0.7358 1.1942 1.2035 1.9140 1.9226 2.1137 2.1253 2.9117 2.9256 3.1773 3.1835 3.3687 3.3788 3.8045 3.8048 3.9006 3.9078 4.5775 4.5797 4.5975 4.5987 5.3928 5.3985 11.7735 11.7754 12.3528 12.3579 12.6145 12.6220 13.2886 13.2915 13.5275 13.5309 k = 0.1639 0.2658-0.0000 ( 4247 PWs) bands (ev): -13.3376 -13.3375 -12.8192 -12.8191 -10.5232 -10.5226 -10.2212 -10.2197 -8.7147 -8.7088 -8.4658 -8.4569 -3.3929 -3.3908 -2.4837 -2.4799 -2.0974 -2.0932 -0.9941 -0.9847 -0.4659 -0.4590 0.2559 0.2566 0.7675 0.7719 1.1440 1.1536 1.8671 1.8759 2.1705 2.1823 2.8957 2.9099 3.1242 3.1303 3.3592 3.3695 3.8159 3.8163 3.8876 3.8948 4.5489 4.5513 4.6047 4.6060 5.3817 5.3876 11.8429 11.8450 12.3557 12.3611 12.6554 12.6632 13.2741 13.2768 13.5577 13.5607 k = 0.1725 0.2798-0.0000 ( 4239 PWs) bands (ev): -13.3259 -13.3258 -12.8201 -12.8200 -10.5008 -10.5003 -10.2830 -10.2816 -8.7022 -8.6960 -8.4675 -8.4585 -3.3759 -3.3737 -2.4470 -2.4429 -2.0340 -2.0298 -1.0303 -1.0209 -0.5116 -0.5045 0.2956 0.2963 0.8061 0.8108 1.0905 1.1002 1.8202 1.8292 2.2255 2.2373 2.8791 2.8935 3.0706 3.0766 3.3522 3.3625 3.8286 3.8293 3.8747 3.8818 4.5186 4.5210 4.6126 4.6139 5.3695 5.3757 11.9125 11.9149 12.3577 12.3635 12.6976 12.7058 13.2629 13.2654 13.5904 13.5929 k = 0.1812 0.2938-0.0000 ( 4239 PWs) bands (ev): -13.3139 -13.3138 -12.8210 -12.8210 -10.4773 -10.4767 -10.3441 -10.3428 -8.6894 -8.6830 -8.4713 -8.4624 -3.3579 -3.3558 -2.4085 -2.4043 -1.9712 -1.9670 -1.0644 -1.0550 -0.5597 -0.5522 0.3363 0.3371 0.8475 0.8525 1.0336 1.0435 1.7736 1.7828 2.2784 2.2904 2.8616 2.8762 3.0175 3.0236 3.3465 3.3568 3.8420 3.8435 3.8629 3.8692 4.4868 4.4891 4.6212 4.6225 5.3563 5.3626 11.9821 11.9848 12.3590 12.3652 12.7404 12.7490 13.2562 13.2585 13.6248 13.6270 k = 0.1898 0.3078-0.0000 ( 4237 PWs) bands (ev): -13.3017 -13.3016 -12.8219 -12.8219 -10.4525 -10.4518 -10.4044 -10.4032 -8.6765 -8.6699 -8.4773 -8.4684 -3.3393 -3.3372 -2.3684 -2.3640 -1.9091 -1.9049 -1.0960 -1.0868 -0.6099 -0.6022 0.3774 0.3783 0.8919 0.8973 0.9734 0.9834 1.7276 1.7371 2.3292 2.3413 2.8433 2.8579 2.9659 2.9719 3.3418 3.3519 3.8441 3.8517 3.8642 3.8646 4.4536 4.4559 4.6306 4.6320 5.3418 5.3483 12.0513 12.0543 12.3596 12.3663 12.7825 12.7914 13.2554 13.2575 13.6605 13.6622 k = 0.1984 0.3217-0.0000 ( 4245 PWs) bands (ev): -13.2893 -13.2892 -12.8229 -12.8228 -10.4638 -10.4627 -10.4264 -10.4257 -8.6636 -8.6567 -8.4852 -8.4764 -3.3206 -3.3185 -2.3267 -2.3221 -1.8478 -1.8437 -1.1249 -1.1157 -0.6621 -0.6542 0.4186 0.4196 0.9098 0.9199 0.9393 0.9450 1.6825 1.6921 2.3777 2.3900 2.8237 2.8380 2.9169 2.9228 3.3376 3.3474 3.8327 3.8408 3.8810 3.8811 4.4192 4.4216 4.6408 4.6423 5.3260 5.3326 12.1201 12.1233 12.3597 12.3668 12.8223 12.8314 13.2623 13.2643 13.6969 13.6982 k = 0.2070 0.3357-0.0000 ( 4237 PWs) bands (ev): -13.2768 -13.2767 -12.8238 -12.8237 -10.5221 -10.5211 -10.3992 -10.3984 -8.6506 -8.6434 -8.4949 -8.4861 -3.3020 -3.3000 -2.2834 -2.2787 -1.7875 -1.7834 -1.1506 -1.1415 -0.7161 -0.7080 0.4596 0.4606 0.8431 0.8532 0.9895 0.9956 1.6384 1.6482 2.4239 2.4362 2.8014 2.8145 2.8729 2.8778 3.3334 3.3429 3.8202 3.8283 3.9014 3.9014 4.3839 4.3862 4.6519 4.6534 5.3088 5.3156 12.1882 12.1916 12.3594 12.3669 12.8577 12.8667 13.2787 13.2808 13.7335 13.7344 k = 0.2157 0.3497-0.0000 ( 4241 PWs) bands (ev): -13.2642 -13.2641 -12.8247 -12.8247 -10.5793 -10.5784 -10.3706 -10.3698 -8.6377 -8.6303 -8.5062 -8.4975 -3.2840 -3.2821 -2.2387 -2.2338 -1.7283 -1.7243 -1.1729 -1.1639 -0.7717 -0.7634 0.4999 0.5011 0.7732 0.7833 1.0426 1.0490 1.5955 1.6054 2.4677 2.4801 2.7741 2.7837 2.8379 2.8396 3.3290 3.3381 3.8079 3.8160 3.9240 3.9241 4.3478 4.3501 4.6639 4.6654 5.2903 5.2972 12.2555 12.2592 12.3589 12.3669 12.8866 12.8954 13.3063 13.3087 13.7698 13.7704 k = 0.2243 0.3637-0.0000 ( 4243 PWs) bands (ev): -13.2516 -13.2515 -12.8256 -12.8255 -10.6355 -10.6347 -10.3409 -10.3400 -8.6249 -8.6174 -8.5188 -8.5102 -3.2670 -3.2650 -2.1925 -2.1875 -1.6703 -1.6664 -1.1914 -1.1827 -0.8286 -0.8201 0.5394 0.5406 0.7004 0.7104 1.0983 1.1051 1.5538 1.5638 2.5091 2.5215 2.7399 2.7454 2.8103 2.8126 3.3241 3.3327 3.7961 3.8042 3.9488 3.9490 4.3111 4.3134 4.6768 4.6784 5.2703 5.2773 12.3220 12.3259 12.3584 12.3668 12.9081 12.9164 13.3457 13.3486 13.8054 13.8058 k = 0.2329 0.3777-0.0000 ( 4243 PWs) bands (ev): -13.2390 -13.2389 -12.8264 -12.8264 -10.6904 -10.6897 -10.3099 -10.3089 -8.6125 -8.6047 -8.5327 -8.5243 -3.2511 -3.2493 -2.1450 -2.1398 -1.6137 -1.6099 -1.2061 -1.1974 -0.8864 -0.8778 0.5777 0.5791 0.6249 0.6347 1.1564 1.1635 1.5133 1.5235 2.5481 2.5606 2.7010 2.7038 2.7880 2.7926 3.3184 3.3265 3.7850 3.7930 3.9758 3.9761 4.2740 4.2762 4.6907 4.6923 5.2490 5.2561 12.3578 12.3665 12.3878 12.3920 12.9223 12.9301 13.3963 13.3997 13.8398 13.8400 k = 0.2416 0.3917-0.0000 ( 4243 PWs) bands (ev): -13.2265 -13.2263 -12.8272 -12.8272 -10.7440 -10.7434 -10.2777 -10.2766 -8.6004 -8.5924 -8.5477 -8.5394 -3.2368 -3.2350 -2.0963 -2.0910 -1.5585 -1.5550 -1.2166 -1.2080 -0.9448 -0.9361 0.5468 0.5565 0.6148 0.6164 1.2167 1.2242 1.4741 1.4843 2.5848 2.5974 2.6605 2.6619 2.7697 2.7752 3.3117 3.3192 3.7748 3.7828 4.0048 4.0053 4.2367 4.2387 4.7055 4.7071 5.2263 5.2335 12.3575 12.3668 12.4525 12.4569 12.9305 12.9377 13.4562 13.4602 13.8679 13.8726 k = 0.2502 0.4057-0.0000 ( 4239 PWs) bands (ev): -13.2141 -13.2139 -12.8280 -12.8279 -10.7964 -10.7958 -10.2443 -10.2432 -8.5888 -8.5806 -8.5636 -8.5555 -3.2242 -3.2225 -2.0466 -2.0411 -1.5051 -1.5017 -1.2227 -1.2142 -1.0033 -0.9945 0.4665 0.4760 0.6505 0.6521 1.2789 1.2867 1.4360 1.4463 2.6193 2.6204 2.6208 2.6323 2.7537 2.7594 3.3039 3.3107 3.7656 3.7735 4.0360 4.0365 4.1992 4.2010 4.7212 4.7230 5.2025 5.2097 12.3576 12.3673 12.5162 12.5209 12.9341 12.9408 13.5233 13.5279 13.8091 13.8161 k = 0.2588 0.4197-0.0000 ( 4235 PWs) bands (ev): -13.2018 -13.2017 -12.8287 -12.8286 -10.8473 -10.8468 -10.2097 -10.2085 -8.5803 -8.5777 -8.5724 -8.5695 -3.2136 -3.2119 -1.9960 -1.9905 -1.4536 -1.4505 -1.2243 -1.2158 -1.0615 -1.0526 0.3842 0.3935 0.6845 0.6863 1.3426 1.3507 1.3989 1.4094 2.5809 2.5813 2.6520 2.6648 2.7393 2.7447 3.2948 3.3007 3.7575 3.7653 4.0691 4.0698 4.1617 4.1634 4.7380 4.7398 5.1774 5.1847 12.3581 12.3683 12.5785 12.5834 12.9348 12.9411 13.5958 13.6009 13.7422 13.7485 k = 0.2674 0.4337-0.0000 ( 4231 PWs) bands (ev): -13.1898 -13.1896 -12.8293 -12.8292 -10.8969 -10.8964 -10.1739 -10.1726 -8.5976 -8.5898 -8.5674 -8.5590 -3.2051 -3.2034 -1.9449 -1.9393 -1.4043 -1.4015 -1.2210 -1.2126 -1.1187 -1.1097 0.3003 0.3093 0.7168 0.7188 1.3627 1.3730 1.4078 1.4159 2.5428 2.5431 2.6827 2.6956 2.7263 2.7312 3.2842 3.2893 3.7506 3.7583 4.1041 4.1048 4.1246 4.1260 4.7557 4.7576 5.1513 5.1586 12.3592 12.3698 12.6388 12.6441 12.9340 12.9401 13.6715 13.6733 13.6776 13.6797 k = 0.2761 0.4477-0.0000 ( 4239 PWs) bands (ev): -13.1780 -13.1778 -12.8298 -12.8298 -10.9450 -10.9445 -10.1370 -10.1356 -8.6153 -8.6078 -8.5578 -8.5493 -3.1986 -3.1971 -1.8937 -1.8881 -1.3578 -1.3555 -1.2128 -1.2041 -1.1741 -1.1652 0.2149 0.2237 0.7473 0.7494 1.3272 1.3376 1.4733 1.4818 2.5062 2.5065 2.7098 2.7166 2.7177 2.7257 3.2721 3.2763 3.7449 3.7525 4.0875 4.0886 4.1410 4.1420 4.7743 4.7763 5.1242 5.1315 12.3609 12.3718 12.6957 12.7013 12.9339 12.9398 13.6048 13.6102 13.7496 13.7555 k = 0.2847 0.4616-0.0000 ( 4239 PWs) bands (ev): -13.1665 -13.1663 -12.8302 -12.8302 -10.9915 -10.9911 -10.0990 -10.0975 -8.6333 -8.6260 -8.5492 -8.5406 -3.1943 -3.1928 -1.8432 -1.8377 -1.3150 -1.3130 -1.2279 -1.2180 -1.1976 -1.1898 0.1285 0.1370 0.7758 0.7781 1.2922 1.3027 1.5394 1.5482 2.4711 2.4716 2.7031 2.7067 2.7402 2.7529 3.2586 3.2618 3.7403 3.7480 4.0511 4.0518 4.1794 4.1805 4.7939 4.7959 5.0963 5.1036 12.3632 12.3745 12.7464 12.7522 12.9378 12.9435 13.5367 13.5418 13.8279 13.8341 k = 0.2933 0.4756-0.0000 ( 4239 PWs) bands (ev): -13.1553 -13.1552 -12.8306 -12.8305 -11.0365 -11.0362 -10.0599 -10.0583 -8.6516 -8.6445 -8.5416 -8.5329 -3.1921 -3.1906 -1.7947 -1.7892 -1.2794 -1.2750 -1.2734 -1.2664 -1.1772 -1.1691 0.0414 0.0496 0.8022 0.8046 1.2574 1.2680 1.6056 1.6145 2.4375 2.4382 2.6936 2.6962 2.7667 2.7794 3.2436 3.2458 3.7369 3.7446 4.0154 4.0155 4.2194 4.2206 4.8143 4.8164 5.0677 5.0749 12.3661 12.3778 12.7855 12.7909 12.9518 12.9567 13.4703 13.4752 13.9045 13.9110 k = 0.3019 0.4896-0.0000 ( 4229 PWs) bands (ev): -13.1445 -13.1444 -12.8308 -12.8308 -11.0800 -11.0797 -10.0198 -10.0181 -8.6699 -8.6631 -8.5352 -8.5264 -3.1919 -3.1904 -1.7502 -1.7450 -1.3184 -1.3082 -1.2428 -1.2415 -1.1500 -1.1421 -0.0462 -0.0383 0.8264 0.8290 1.2227 1.2334 1.6714 1.6806 2.4055 2.4063 2.6851 2.6867 2.7923 2.8050 3.2272 3.2284 3.7344 3.7423 3.9800 3.9805 4.2606 4.2620 4.8354 4.8377 5.0385 5.0457 12.3696 12.3816 12.8075 12.8116 12.9818 12.9850 13.4063 13.4110 13.9746 13.9809 k = 0.3106 0.5036-0.0000 ( 4237 PWs) bands (ev): -13.1341 -13.1340 -12.8309 -12.8309 -11.1218 -11.1215 -9.9787 -9.9769 -8.6882 -8.6816 -8.5300 -8.5212 -3.1934 -3.1920 -1.7136 -1.7087 -1.3497 -1.3392 -1.2131 -1.2117 -1.1175 -1.1100 -0.1340 -0.1264 0.8484 0.8511 1.1878 1.1986 1.7365 1.7458 2.3751 2.3761 2.6777 2.6783 2.8171 2.8298 3.2097 3.2097 3.7328 3.7410 3.9452 3.9466 4.3031 4.3046 4.8573 4.8597 5.0090 5.0161 12.3735 12.3858 12.8135 12.8161 13.0262 13.0276 13.3454 13.3500 14.0237 14.0277 k = 0.3192 0.5176-0.0000 ( 4239 PWs) bands (ev): -13.1242 -13.1240 -12.8309 -12.8309 -11.1619 -11.1617 -9.9367 -9.9348 -8.7063 -8.7000 -8.5263 -8.5174 -3.1967 -3.1953 -1.6903 -1.6857 -1.3646 -1.3538 -1.1855 -1.1840 -1.0818 -1.0749 -0.2217 -0.2144 0.8680 0.8708 1.1526 1.1634 1.8006 1.8100 2.3463 2.3475 2.6709 2.6713 2.8413 2.8540 3.1900 3.1910 3.7316 3.7405 3.9115 3.9140 4.3466 4.3483 4.8799 4.8824 4.9792 4.9862 12.3779 12.3904 12.8093 12.8108 13.0785 13.0787 13.2882 13.2926 14.0473 14.0493 k = 0.3278 0.5316-0.0000 ( 4241 PWs) bands (ev): -13.1147 -13.1145 -12.8307 -12.8307 -11.2004 -11.2002 -9.8939 -9.8919 -8.7242 -8.7181 -8.5240 -8.5151 -3.2014 -3.2000 -1.6850 -1.6805 -1.3583 -1.3473 -1.1585 -1.1570 -1.0448 -1.0383 -0.3089 -0.3019 0.8852 0.8881 1.1167 1.1276 1.8632 1.8727 2.3191 2.3205 2.6645 2.6661 2.8650 2.8776 3.1693 3.1715 3.7306 3.7406 3.8791 3.8830 4.3909 4.3928 4.9029 4.9056 4.9493 4.9562 12.3824 12.3950 12.7993 12.8004 13.1337 13.1343 13.2354 13.2395 14.0607 14.0618 k = 0.3364 0.5456-0.0000 ( 4239 PWs) bands (ev): -13.1057 -13.1056 -12.8304 -12.8304 -11.2371 -11.2370 -9.8503 -9.8482 -8.7417 -8.7359 -8.5233 -8.5144 -3.2074 -3.2060 -1.6967 -1.6921 -1.3316 -1.3207 -1.1314 -1.1300 -1.0075 -1.0015 -0.3953 -0.3887 0.9000 0.9029 1.0799 1.0909 1.9241 1.9336 2.2936 2.2951 2.6592 2.6618 2.8884 2.9009 3.1481 3.1514 3.7292 3.7407 3.8483 3.8543 4.4359 4.4380 4.9195 4.9259 4.9264 4.9296 12.3870 12.3996 12.7862 12.7868 13.1849 13.1889 13.1928 13.1939 14.0696 14.0703 k = 0.3451 0.5596-0.0000 ( 4235 PWs) bands (ev): -13.0972 -13.0971 -12.8300 -12.8300 -11.2721 -11.2720 -9.8060 -9.8037 -8.7588 -8.7533 -8.5244 -8.5155 -3.2144 -3.2131 -1.7194 -1.7147 -1.2902 -1.2795 -1.1041 -1.1028 -0.9705 -0.9648 -0.4807 -0.4744 0.9123 0.9153 1.0422 1.0533 1.9829 1.9924 2.2697 2.2713 2.6548 2.6586 2.9116 2.9238 3.1263 3.1307 3.7263 3.7401 3.8199 3.8287 4.4814 4.4837 4.8900 4.8965 4.9501 4.9531 12.3913 12.4037 12.7710 12.7714 13.1445 13.1482 13.2479 13.2492 14.0757 14.0761 k = 0.3451 0.5596-0.0000 ( 4235 PWs) bands (ev): -13.0972 -13.0971 -12.8300 -12.8300 -11.2721 -11.2720 -9.8060 -9.8037 -8.7588 -8.7533 -8.5244 -8.5155 -3.2144 -3.2131 -1.7194 -1.7147 -1.2902 -1.2795 -1.1041 -1.1028 -0.9705 -0.9648 -0.4807 -0.4744 0.9123 0.9153 1.0422 1.0533 1.9829 1.9924 2.2697 2.2713 2.6548 2.6586 2.9116 2.9238 3.1263 3.1307 3.7263 3.7401 3.8199 3.8287 4.4814 4.4837 4.8900 4.8965 4.9501 4.9531 12.3913 12.4037 12.7710 12.7714 13.1445 13.1482 13.2479 13.2492 14.0757 14.0761 k = 0.3286 0.5596-0.0000 ( 4236 PWs) bands (ev): -13.1019 -13.1017 -12.8304 -12.8304 -11.2530 -11.2528 -9.8298 -9.8276 -8.7498 -8.7441 -8.5235 -8.5146 -3.2103 -3.2090 -1.7113 -1.7067 -1.3130 -1.3023 -1.1208 -1.1193 -0.9861 -0.9803 -0.4337 -0.4272 0.9052 0.9081 1.0639 1.0749 1.9512 1.9608 2.2830 2.2846 2.6550 2.6582 2.9000 2.9123 3.1389 3.1429 3.7277 3.7403 3.8341 3.8415 4.4576 4.4598 4.9038 4.9097 4.9410 4.9433 12.3895 12.4020 12.7776 12.7784 13.1594 13.1631 13.2234 13.2243 14.0671 14.0675 k = 0.3122 0.5596-0.0000 ( 4239 PWs) bands (ev): -13.1072 -13.1070 -12.8312 -12.8312 -11.2314 -11.2313 -9.8542 -9.8521 -8.7406 -8.7347 -8.5230 -8.5141 -3.2058 -3.2045 -1.7155 -1.7112 -1.3316 -1.3207 -1.1408 -1.1391 -0.9941 -0.9882 -0.3826 -0.3761 0.8957 0.8986 1.0885 1.0995 1.9170 1.9265 2.2986 2.3001 2.6506 2.6535 2.8904 2.9026 3.1534 3.1570 3.7280 3.7396 3.8481 3.8544 4.4347 4.4367 4.9076 4.9101 4.9451 4.9471 12.3886 12.4012 12.7810 12.7825 13.1523 13.1548 13.2194 13.2208 14.0561 14.0568 k = 0.2958 0.5596-0.0000 ( 4237 PWs) bands (ev): -13.1129 -13.1127 -12.8323 -12.8323 -11.2076 -11.2075 -9.8794 -9.8773 -8.7311 -8.7251 -8.5227 -8.5138 -3.2008 -3.1995 -1.7328 -1.7288 -1.3453 -1.3345 -1.1625 -1.1606 -0.9942 -0.9884 -0.3290 -0.3224 0.8841 0.8869 1.1159 1.1268 1.8803 1.8899 2.3163 2.3177 2.6409 2.6438 2.8839 2.8959 3.1689 3.1723 3.7270 3.7381 3.8608 3.8665 4.4133 4.4152 4.9002 4.9013 4.9600 4.9641 12.3891 12.4017 12.7817 12.7838 13.1273 13.1292 13.2301 13.2326 14.0481 14.0491 k = 0.2793 0.5596-0.0000 ( 4230 PWs) bands (ev): -13.1190 -13.1188 -12.8337 -12.8337 -11.1818 -11.1816 -9.9052 -9.9033 -8.7215 -8.7154 -8.5228 -8.5139 -3.1952 -3.1938 -1.7621 -1.7585 -1.3550 -1.3441 -1.1849 -1.1829 -0.9866 -0.9810 -0.2738 -0.2671 0.8708 0.8735 1.1456 1.1566 1.8415 1.8511 2.3360 2.3372 2.6256 2.6287 2.8811 2.8926 3.1852 3.1885 3.7250 3.7358 3.8714 3.8770 4.3941 4.3958 4.8902 4.8916 4.9792 4.9840 12.3913 12.4038 12.7802 12.7829 13.0981 13.0998 13.2417 13.2449 14.0449 14.0461 k = 0.2629 0.5596-0.0000 ( 4230 PWs) bands (ev): -13.1253 -13.1251 -12.8354 -12.8354 -11.1540 -11.1538 -9.9319 -9.9299 -8.7117 -8.7054 -8.5231 -8.5142 -3.1887 -3.1873 -1.8012 -1.7980 -1.3620 -1.3513 -1.2073 -1.2051 -0.9719 -0.9665 -0.2177 -0.2110 0.8562 0.8588 1.1776 1.1884 1.8007 1.8103 2.3573 2.3584 2.6051 2.6085 2.8816 2.8925 3.2018 3.2052 3.7218 3.7325 3.8792 3.8849 4.3778 4.3793 4.8810 4.8825 4.9996 5.0047 12.3952 12.4077 12.7770 12.7802 13.0683 13.0701 13.2499 13.2535 14.0473 14.0486 k = 0.2465 0.5596-0.0000 ( 4230 PWs) bands (ev): -13.1317 -13.1315 -12.8374 -12.8374 -11.1246 -11.1243 -9.9592 -9.9574 -8.7018 -8.6954 -8.5237 -8.5148 -3.1813 -3.1799 -1.8474 -1.8446 -1.3677 -1.3572 -1.2292 -1.2269 -0.9512 -0.9461 -0.1614 -0.1548 0.8406 0.8431 1.2114 1.2221 1.7582 1.7678 2.3802 2.3809 2.5804 2.5841 2.8847 2.8949 3.2186 3.2220 3.7173 3.7280 3.8838 3.8899 4.3646 4.3659 4.8732 4.8748 5.0202 5.0255 12.4011 12.4134 12.7727 12.7765 13.0391 13.0410 13.2533 13.2572 14.0548 14.0564 k = 0.2300 0.5596-0.0000 ( 4231 PWs) bands (ev): -13.1381 -13.1380 -12.8396 -12.8395 -11.0936 -11.0933 -9.9873 -9.9855 -8.6919 -8.6854 -8.5246 -8.5158 -3.1729 -3.1715 -1.8985 -1.8961 -1.3733 -1.3630 -1.2502 -1.2477 -0.9256 -0.9208 -0.1055 -0.0989 0.8245 0.8268 1.2467 1.2573 1.7144 1.7240 2.4042 2.4043 2.5526 2.5563 2.8895 2.8991 3.2352 3.2387 3.7111 3.7220 3.8852 3.8918 4.3547 4.3559 4.8672 4.8689 5.0407 5.0460 12.4088 12.4210 12.7681 12.7723 13.0106 13.0127 13.2517 13.2559 14.0651 14.0676 k = 0.2136 0.5596-0.0000 ( 4232 PWs) bands (ev): -13.1445 -13.1444 -12.8419 -12.8418 -11.0613 -11.0610 -10.0160 -10.0143 -8.6820 -8.6754 -8.5258 -8.5170 -3.1633 -3.1619 -1.9526 -1.9506 -1.3790 -1.3690 -1.2699 -1.2673 -0.8964 -0.8919 -0.0503 -0.0438 0.8085 0.8105 1.2830 1.2935 1.6695 1.6791 2.4274 2.4287 2.5235 2.5264 2.8953 2.9044 3.2516 3.2551 3.7030 3.7140 3.8838 3.8909 4.3478 4.3491 4.8632 4.8650 5.0606 5.0659 12.4185 12.4305 12.7636 12.7682 12.9831 12.9853 13.2453 13.2497 14.0658 14.0716 k = 0.1972 0.5596-0.0000 ( 4236 PWs) bands (ev): -13.1507 -13.1506 -12.8443 -12.8442 -11.0280 -11.0276 -10.0454 -10.0438 -8.6722 -8.6655 -8.5273 -8.5185 -3.1526 -3.1511 -2.0085 -2.0067 -1.3851 -1.3755 -1.2881 -1.2854 -0.8648 -0.8606 0.0035 0.0098 0.7931 0.7949 1.3195 1.3299 1.6243 1.6340 2.4442 2.4500 2.4982 2.4995 2.9015 2.9101 3.2675 3.2711 3.6928 3.7038 3.8804 3.8879 4.3434 4.3448 4.8614 4.8633 5.0798 5.0850 12.4298 12.4418 12.7598 12.7648 12.9566 12.9589 13.2347 13.2393 14.0443 14.0508 k = 0.1808 0.5596-0.0000 ( 4241 PWs) bands (ev): -13.1567 -13.1566 -12.8467 -12.8467 -10.9938 -10.9934 -10.0753 -10.0738 -8.6625 -8.6556 -8.5291 -8.5204 -3.1406 -3.1391 -2.0649 -2.0633 -1.3917 -1.3826 -1.3046 -1.3017 -0.8318 -0.8279 0.0555 0.0616 0.7791 0.7805 1.3549 1.3650 1.5802 1.5901 2.4341 2.4445 2.4959 2.5014 2.9077 2.9157 3.2829 3.2865 3.6802 3.6910 3.8759 3.8836 4.3409 4.3425 4.8617 4.8636 5.0979 5.1030 12.4428 12.4545 12.7571 12.7624 12.9314 12.9337 13.2205 13.2252 14.0145 14.0205 k = 0.1643 0.5596-0.0000 ( 4237 PWs) bands (ev): -13.1624 -13.1623 -12.8492 -12.8491 -10.9590 -10.9586 -10.1057 -10.1042 -8.6530 -8.6460 -8.5312 -8.5225 -3.1273 -3.1258 -2.1209 -2.1195 -1.3987 -1.3902 -1.3190 -1.3162 -0.7984 -0.7947 0.1049 0.1107 0.7673 0.7683 1.3849 1.3946 1.5412 1.5514 2.4030 2.4127 2.5191 2.5235 2.9133 2.9210 3.2976 3.3012 3.6652 3.6757 3.8712 3.8788 4.3398 4.3414 4.8640 4.8660 5.1148 5.1197 12.4571 12.4686 12.7559 12.7614 12.9076 12.9098 13.2033 13.2082 13.9829 13.9885 k = 0.1479 0.5596-0.0000 ( 4239 PWs) bands (ev): -13.1677 -13.1676 -12.8515 -12.8515 -10.9239 -10.9235 -10.1363 -10.1349 -8.6436 -8.6365 -8.5337 -8.5250 -3.1128 -3.1114 -2.1758 -2.1745 -1.4060 -1.3982 -1.3314 -1.3287 -0.7653 -0.7619 0.1510 0.1563 0.7588 0.7593 1.3976 1.4068 1.5193 1.5301 2.3669 2.3762 2.5462 2.5500 2.9182 2.9255 3.3115 3.3152 3.6481 3.6579 3.8669 3.8741 4.3393 4.3409 4.8682 4.8701 5.1303 5.1350 12.4725 12.4837 12.7561 12.7617 12.8858 12.8877 13.1838 13.1888 13.9512 13.9565 k = 0.1315 0.5596-0.0000 ( 4240 PWs) bands (ev): -13.1726 -13.1725 -12.8538 -12.8537 -10.8889 -10.8884 -10.1671 -10.1657 -8.6345 -8.6273 -8.5364 -8.5279 -3.0974 -3.0959 -2.2288 -2.2277 -1.4134 -1.4064 -1.3418 -1.3394 -0.7333 -0.7302 0.1928 0.1975 0.7544 0.7551 1.3786 1.3874 1.5288 1.5397 2.3293 2.3383 2.5739 2.5773 2.9222 2.9291 3.3247 3.3284 3.6292 3.6382 3.8633 3.8700 4.3391 4.3407 4.8738 4.8758 5.1443 5.1487 12.4885 12.4994 12.7572 12.7627 12.8669 12.8686 13.1623 13.1674 13.9202 13.9251 k = 0.1150 0.5596-0.0000 ( 4246 PWs) bands (ev): -13.1770 -13.1770 -12.8558 -12.8558 -10.8542 -10.8538 -10.1976 -10.1964 -8.6257 -8.6184 -8.5395 -8.5310 -3.0810 -3.0797 -2.2793 -2.2782 -1.4207 -1.4147 -1.3503 -1.3482 -0.7030 -0.7002 0.2292 0.2333 0.7552 0.7567 1.3394 1.3479 1.5582 1.5686 2.2911 2.3000 2.6014 2.6045 2.9250 2.9315 3.3371 3.3408 3.6092 3.6174 3.8606 3.8666 4.3389 4.3404 4.8805 4.8824 5.1568 5.1608 12.5050 12.5154 12.7576 12.7630 12.8524 12.8548 13.1391 13.1445 13.8906 13.8950 k = 0.0986 0.5596-0.0000 ( 4249 PWs) bands (ev): -13.1810 -13.1809 -12.8577 -12.8577 -10.8205 -10.8201 -10.2276 -10.2264 -8.6172 -8.6099 -8.5429 -8.5345 -3.0643 -3.0630 -2.3263 -2.3253 -1.4276 -1.4225 -1.3570 -1.3554 -0.6750 -0.6726 0.2595 0.2629 0.7626 0.7649 1.2933 1.3017 1.5939 1.6038 2.2532 2.2618 2.6278 2.6308 2.9266 2.9327 3.3487 3.3522 3.5890 3.5962 3.8587 3.8639 4.3385 4.3399 4.8878 4.8895 5.1676 5.1712 12.5214 12.5313 12.7544 12.7601 12.8451 12.8492 13.1147 13.1202 13.8630 13.8669 k = 0.0822 0.5596-0.0000 ( 4261 PWs) bands (ev): -13.1844 -13.1843 -12.8594 -12.8593 -10.7884 -10.7879 -10.2564 -10.2553 -8.6091 -8.6017 -8.5467 -8.5384 -3.0476 -3.0464 -2.3692 -2.3683 -1.4338 -1.4297 -1.3624 -1.3611 -0.6501 -0.6480 0.2833 0.2858 0.7769 0.7802 1.2452 1.2533 1.6307 1.6400 2.2163 2.2245 2.6527 2.6554 2.9271 2.9326 3.3593 3.3627 3.5692 3.5755 3.8575 3.8618 4.3381 4.3392 4.8951 4.8967 5.1767 5.1799 12.5375 12.5467 12.7462 12.7522 12.8476 12.8533 13.0890 13.0948 13.8382 13.8415 k = 0.0657 0.5596-0.0000 ( 4259 PWs) bands (ev): -13.1872 -13.1871 -12.8607 -12.8607 -10.7587 -10.7583 -10.2832 -10.2823 -8.6014 -8.5940 -8.5507 -8.5426 -3.0317 -3.0306 -2.4068 -2.4060 -1.4392 -1.4359 -1.3665 -1.3655 -0.6287 -0.6270 0.3006 0.3024 0.7980 0.8019 1.1972 1.2049 1.6665 1.6749 2.1815 2.1891 2.6752 2.6777 2.9265 2.9314 3.3690 3.3721 3.5510 3.5562 3.8569 3.8603 4.3375 4.3385 4.9019 4.9033 5.1842 5.1868 12.5530 12.5613 12.7342 12.7402 12.8589 12.8655 13.0623 13.0684 13.8168 13.8195 k = 0.0493 0.5596-0.0000 ( 4249 PWs) bands (ev): -13.1894 -13.1894 -12.8618 -12.8618 -10.7326 -10.7323 -10.3069 -10.3062 -8.5941 -8.5868 -8.5550 -8.5472 -3.0174 -3.0166 -2.4380 -2.4374 -1.4434 -1.4411 -1.3696 -1.3689 -0.6113 -0.6100 0.3123 0.3135 0.8242 0.8286 1.1511 1.1582 1.6992 1.7064 2.1504 2.1570 2.6945 2.6966 2.9253 2.9293 3.3776 3.3803 3.5351 3.5392 3.8566 3.8592 4.3369 4.3377 4.9079 4.9090 5.1901 5.1921 12.5673 12.5745 12.7212 12.7267 12.8767 12.8837 13.0349 13.0412 13.7995 13.8016 k = 0.0329 0.5596-0.0000 ( 4248 PWs) bands (ev): -13.1910 -13.1910 -12.8626 -12.8626 -10.7119 -10.7116 -10.3259 -10.3254 -8.5874 -8.5806 -8.5591 -8.5520 -3.0060 -3.0054 -2.4616 -2.4611 -1.4465 -1.4449 -1.3717 -1.3712 -0.5985 -0.5976 0.3196 0.3203 0.8527 0.8570 1.1096 1.1156 1.7265 1.7319 2.1253 2.1303 2.7095 2.7111 2.9240 2.9268 3.3847 3.3867 3.5227 3.5256 3.8566 3.8583 4.3365 4.3370 4.9125 4.9132 5.1943 5.1957 12.5798 12.5854 12.7096 12.7140 12.8986 12.9057 13.0071 13.0135 13.7868 13.7882 k = 0.0164 0.5596-0.0000 ( 4250 PWs) bands (ev): -13.1919 -13.1919 -12.8631 -12.8631 -10.6982 -10.6981 -10.3383 -10.3381 -8.5814 -8.5764 -8.5620 -8.5568 -2.9985 -2.9982 -2.4763 -2.4761 -1.4482 -1.4474 -1.3729 -1.3726 -0.5905 -0.5901 0.3235 0.3238 0.8780 0.8810 1.0782 1.0821 1.7456 1.7485 2.1089 2.1116 2.7193 2.7201 2.9232 2.9247 3.3897 3.3908 3.5149 3.5164 3.8568 3.8577 4.3362 4.3365 4.9155 4.9158 5.1970 5.1977 12.5893 12.5924 12.7018 12.7044 12.9232 12.9301 12.9794 12.9859 13.7792 13.7799 k = 0.0000 0.5596-0.0000 ( 4246 PWs) bands (ev): -13.1923 -13.1923 -12.8633 -12.8633 -10.6934 -10.6934 -10.3426 -10.3426 -8.5769 -8.5769 -8.5610 -8.5610 -2.9958 -2.9958 -2.4813 -2.4813 -1.4485 -1.4485 -1.3732 -1.3732 -0.5877 -0.5877 0.3248 0.3248 0.8901 0.8901 1.0671 1.0671 1.7534 1.7534 2.1040 2.1040 2.7230 2.7230 2.9233 2.9233 3.3918 3.3918 3.5127 3.5127 3.8572 3.8572 4.3362 4.3362 4.9166 4.9166 5.1981 5.1981 12.5939 12.5939 12.6998 12.6998 12.9467 12.9467 12.9616 12.9616 13.7769 13.7769 k = 0.0000 0.5596-0.0000 ( 4246 PWs) bands (ev): -13.1923 -13.1923 -12.8633 -12.8633 -10.6934 -10.6934 -10.3426 -10.3426 -8.5769 -8.5769 -8.5610 -8.5610 -2.9958 -2.9958 -2.4813 -2.4813 -1.4485 -1.4485 -1.3732 -1.3732 -0.5877 -0.5877 0.3248 0.3248 0.8901 0.8901 1.0671 1.0671 1.7534 1.7534 2.1040 2.1040 2.7230 2.7230 2.9233 2.9233 3.3918 3.3918 3.5127 3.5127 3.8572 3.8572 4.3362 4.3362 4.9166 4.9166 5.1981 5.1981 12.5939 12.5939 12.6998 12.6998 12.9467 12.9467 12.9616 12.9616 13.7769 13.7769 k = 0.0000 0.5596 0.0163 ( 4246 PWs) bands (ev): -13.1920 -13.1920 -12.8634 -12.8634 -10.6926 -10.6925 -10.3420 -10.3420 -8.5786 -8.5784 -8.5628 -8.5627 -2.9955 -2.9954 -2.4807 -2.4805 -1.4480 -1.4479 -1.3703 -1.3701 -0.5862 -0.5859 0.3238 0.3240 0.8883 0.8884 1.0653 1.0656 1.7534 1.7534 2.1046 2.1046 2.7208 2.7208 2.9241 2.9242 3.3934 3.3934 3.5132 3.5133 3.8566 3.8567 4.3365 4.3366 4.9168 4.9168 5.1979 5.1979 12.5885 12.5889 12.6931 12.6934 12.9512 12.9522 12.9607 12.9607 13.7810 13.7810 k = 0.0000 0.5596 0.0326 ( 4246 PWs) bands (ev): -13.1912 -13.1912 -12.8637 -12.8637 -10.6901 -10.6901 -10.3402 -10.3401 -8.5834 -8.5832 -8.5681 -8.5680 -2.9946 -2.9944 -2.4788 -2.4783 -1.4465 -1.4463 -1.3615 -1.3611 -0.5813 -0.5809 0.3210 0.3214 0.8832 0.8835 1.0604 1.0610 1.7533 1.7534 2.1063 2.1063 2.7144 2.7145 2.9264 2.9265 3.3979 3.3980 3.5149 3.5150 3.8549 3.8550 4.3373 4.3375 4.9174 4.9174 5.1971 5.1972 12.5733 12.5740 12.6749 12.6755 12.9526 12.9536 12.9696 12.9702 13.7929 13.7930 k = 0.0000 0.5596 0.0489 ( 4248 PWs) bands (ev): -13.1899 -13.1899 -12.8641 -12.8641 -10.6860 -10.6859 -10.3371 -10.3370 -8.5914 -8.5910 -8.5770 -8.5769 -2.9931 -2.9928 -2.4755 -2.4748 -1.4441 -1.4438 -1.3468 -1.3462 -0.5731 -0.5724 0.3164 0.3170 0.8751 0.8755 1.0525 1.0533 1.7531 1.7533 2.1089 2.1089 2.7040 2.7042 2.9302 2.9304 3.4051 3.4052 3.5177 3.5179 3.8520 3.8522 4.3388 4.3391 4.9183 4.9184 5.1959 5.1959 12.5491 12.5500 12.6488 12.6495 12.9448 12.9457 12.9914 12.9925 13.8114 13.8115 k = 0.0000 0.5596 0.0652 ( 4248 PWs) bands (ev): -13.1880 -13.1880 -12.8648 -12.8648 -10.6802 -10.6802 -10.3328 -10.3327 -8.6025 -8.6020 -8.5893 -8.5892 -2.9908 -2.9904 -2.4710 -2.4700 -1.4407 -1.4404 -1.3265 -1.3257 -0.5615 -0.5606 0.3097 0.3105 0.8643 0.8648 1.0418 1.0429 1.7526 1.7529 2.1124 2.1124 2.6901 2.6903 2.9353 2.9355 3.4147 3.4148 3.5216 3.5220 3.8479 3.8482 4.3408 4.3412 4.9197 4.9198 5.1942 5.1943 12.5175 12.5185 12.6178 12.6184 12.9335 12.9345 13.0175 13.0188 13.8346 13.8348 k = 0.0000 0.5596 0.0815 ( 4250 PWs) bands (ev): -13.1857 -13.1857 -12.8657 -12.8657 -10.6728 -10.6728 -10.3273 -10.3271 -8.6167 -8.6160 -8.6050 -8.6048 -2.9878 -2.9873 -2.4653 -2.4641 -1.4367 -1.4362 -1.3007 -1.2997 -0.5463 -0.5452 0.3010 0.3020 0.8515 0.8521 1.0286 1.0299 1.7518 1.7521 2.1163 2.1163 2.6733 2.6735 2.9414 2.9416 3.4260 3.4262 3.5268 3.5272 3.8427 3.8430 4.3432 4.3437 4.9213 4.9215 5.1921 5.1921 12.4800 12.4810 12.5840 12.5844 12.9195 12.9205 13.0458 13.0470 13.8604 13.8608 k = 0.0000 0.5596 0.0979 ( 4250 PWs) bands (ev): -13.1828 -13.1828 -12.8668 -12.8668 -10.6637 -10.6637 -10.3205 -10.3203 -8.6340 -8.6331 -8.6239 -8.6235 -2.9840 -2.9834 -2.4585 -2.4571 -1.4320 -1.4315 -1.2697 -1.2685 -0.5276 -0.5263 0.2900 0.2912 0.8371 0.8379 1.0132 1.0148 1.7504 1.7507 2.1203 2.1203 2.6541 2.6543 2.9483 2.9486 3.4386 3.4388 3.5333 3.5337 3.8363 3.8366 4.3461 4.3467 4.9233 4.9235 5.1895 5.1895 12.4383 12.4392 12.5489 12.5492 12.9032 12.9041 13.0750 13.0761 13.8866 13.8871 k = 0.0000 0.5596 0.1142 ( 4246 PWs) bands (ev): -13.1795 -13.1794 -12.8681 -12.8680 -10.6530 -10.6530 -10.3125 -10.3122 -8.6542 -8.6532 -8.6456 -8.6452 -2.9793 -2.9786 -2.4508 -2.4492 -1.4269 -1.4264 -1.2338 -1.2325 -0.5052 -0.5036 0.2765 0.2779 0.8219 0.8228 0.9960 0.9978 1.7483 1.7487 2.1240 2.1241 2.6332 2.6334 2.9556 2.9559 3.4520 3.4522 3.5411 3.5415 3.8287 3.8291 4.3493 4.3499 4.9256 4.9258 5.1864 5.1864 12.3939 12.3947 12.5136 12.5137 12.8850 12.8858 13.1043 13.1052 13.9113 13.9120 k = 0.0000 0.5596 0.1305 ( 4254 PWs) bands (ev): -13.1757 -13.1756 -12.8696 -12.8695 -10.6407 -10.6407 -10.3032 -10.3029 -8.6777 -8.6765 -8.6699 -8.6695 -2.9736 -2.9729 -2.4423 -2.4406 -1.4215 -1.4209 -1.1935 -1.1921 -0.4790 -0.4773 0.2605 0.2621 0.8066 0.8076 0.9773 0.9794 1.7454 1.7459 2.1270 2.1272 2.6111 2.6112 2.9631 2.9633 3.4656 3.4659 3.5501 3.5505 3.8200 3.8204 4.3527 4.3534 4.9281 4.9283 5.1829 5.1829 12.3482 12.3489 12.4789 12.4790 12.8654 12.8661 13.1332 13.1338 13.9329 13.9339 k = 0.0000 0.5596 0.1468 ( 4250 PWs) bands (ev): -13.1714 -13.1713 -12.8713 -12.8712 -10.6267 -10.6267 -10.2927 -10.2924 -8.7044 -8.7033 -8.6961 -8.6958 -2.9670 -2.9661 -2.4331 -2.4313 -1.4158 -1.4153 -1.1493 -1.1476 -0.4491 -0.4472 0.2419 0.2437 0.7918 0.7929 0.9576 0.9599 1.7416 1.7421 2.1288 2.1291 2.5885 2.5886 2.9703 2.9705 3.4791 3.4793 3.5605 3.5608 3.8102 3.8106 4.3561 4.3570 4.9309 4.9310 5.1790 5.1790 12.3025 12.3030 12.4455 12.4457 12.8448 12.8453 13.1612 13.1614 13.9505 13.9518 k = 0.0000 0.5596 0.1631 ( 4250 PWs) bands (ev): -13.1666 -13.1665 -12.8732 -12.8732 -10.6111 -10.6111 -10.2810 -10.2806 -8.7344 -8.7335 -8.7240 -8.7240 -2.9593 -2.9584 -2.4236 -2.4216 -1.4101 -1.4095 -1.1015 -1.0997 -0.4154 -0.4133 0.2207 0.2227 0.7781 0.7793 0.9373 0.9398 1.7368 1.7374 2.1289 2.1293 2.5660 2.5660 2.9767 2.9769 3.4920 3.4922 3.5721 3.5723 3.7995 3.7999 4.3595 4.3604 4.9338 4.9339 5.1747 5.1747 12.2579 12.2582 12.4141 12.4146 12.8237 12.8241 13.1877 13.1879 13.9639 13.9654 k = 0.0000 0.5596 0.1794 ( 4252 PWs) bands (ev): -13.1614 -13.1614 -12.8754 -12.8754 -10.5939 -10.5939 -10.2681 -10.2676 -8.7673 -8.7666 -8.7539 -8.7537 -2.9504 -2.9495 -2.4138 -2.4118 -1.4043 -1.4038 -1.0510 -1.0490 -0.3780 -0.3757 0.1972 0.1993 0.7660 0.7673 0.9167 0.9194 1.7310 1.7316 2.1268 2.1272 2.5441 2.5442 2.9822 2.9823 3.5040 3.5042 3.5847 3.5847 3.7880 3.7884 4.3627 4.3637 4.9368 4.9370 5.1699 5.1700 12.2153 12.2155 12.3855 12.3862 12.8026 12.8028 13.2122 13.2129 13.9732 13.9749 k = 0.0000 0.5596 0.1957 ( 4252 PWs) bands (ev): -13.1559 -13.1558 -12.8778 -12.8778 -10.5752 -10.5751 -10.2539 -10.2534 -8.8028 -8.8023 -8.7857 -8.7853 -2.9405 -2.9394 -2.4039 -2.4019 -1.3985 -1.3980 -0.9982 -0.9961 -0.3371 -0.3346 0.1717 0.1740 0.7558 0.7572 0.8962 0.8991 1.7241 1.7248 2.1219 2.1225 2.5235 2.5238 2.9862 2.9862 3.5147 3.5150 3.5978 3.5979 3.7763 3.7766 4.3655 4.3666 4.9400 4.9402 5.1649 5.1649 12.1755 12.1755 12.3601 12.3610 12.7818 12.7820 13.2346 13.2357 13.9790 13.9808 k = 0.0000 0.5596 0.2120 ( 4254 PWs) bands (ev): -13.1499 -13.1498 -12.8805 -12.8804 -10.5548 -10.5547 -10.2385 -10.2380 -8.8407 -8.8402 -8.8192 -8.8187 -2.9293 -2.9283 -2.3943 -2.3923 -1.3925 -1.3921 -0.9442 -0.9418 -0.2928 -0.2902 0.1448 0.1472 0.7478 0.7493 0.8762 0.8793 1.7162 1.7169 2.1137 2.1145 2.5048 2.5051 2.9885 2.9886 3.5241 3.5243 3.6106 3.6110 3.7651 3.7653 4.3678 4.3689 4.9433 4.9434 5.1594 5.1595 12.1392 12.1393 12.3384 12.3395 12.7619 12.7619 13.2543 13.2559 13.9820 13.9839 k = 0.0000 0.5596 0.2283 ( 4254 PWs) bands (ev): -13.1436 -13.1435 -12.8834 -12.8834 -10.5328 -10.5328 -10.2220 -10.2214 -8.8805 -8.8801 -8.8543 -8.8537 -2.9170 -2.9159 -2.3851 -2.3832 -1.3864 -1.3861 -0.8898 -0.8873 -0.2454 -0.2426 0.1173 0.1198 0.7422 0.7438 0.8570 0.8604 1.7071 1.7079 2.1020 2.1029 2.4882 2.4888 2.9887 2.9889 3.5319 3.5321 3.6218 3.6227 3.7559 3.7559 4.3694 4.3705 4.9467 4.9468 5.1537 5.1538 12.1072 12.1074 12.3208 12.3221 12.7431 12.7432 13.2709 13.2730 13.9830 13.9849 k = 0.0000 0.5596 0.2446 ( 4246 PWs) bands (ev): -13.1369 -13.1368 -12.8866 -12.8865 -10.5093 -10.5093 -10.2042 -10.2036 -8.9222 -8.9218 -8.8908 -8.8901 -2.9035 -2.9023 -2.3766 -2.3747 -1.3799 -1.3797 -0.8364 -0.8337 -0.1953 -0.1924 0.0903 0.0928 0.7391 0.7407 0.8390 0.8426 1.6970 1.6978 2.0864 2.0874 2.4743 2.4750 2.9866 2.9870 3.5379 3.5381 3.6292 3.6306 3.7506 3.7510 4.3701 4.3713 4.9502 4.9503 5.1477 5.1478 12.0800 12.0803 12.3078 12.3093 12.7258 12.7260 13.2840 13.2866 13.9826 13.9846 k = 0.0000 0.5596 0.2609 ( 4248 PWs) bands (ev): -13.1299 -13.1298 -12.8900 -12.8900 -10.4843 -10.4843 -10.1853 -10.1847 -8.9655 -8.9652 -8.9286 -8.9279 -2.8888 -2.8876 -2.3691 -2.3673 -1.3729 -1.3728 -0.7854 -0.7826 -0.1430 -0.1400 0.0650 0.0677 0.7386 0.7402 0.8226 0.8264 1.6859 1.6867 2.0668 2.0680 2.4630 2.4638 2.9822 2.9826 3.5422 3.5424 3.6303 3.6321 3.7523 3.7529 4.3698 4.3710 4.9538 4.9539 5.1415 5.1416 12.0580 12.0584 12.2996 12.3012 12.7103 12.7106 13.2931 13.2964 13.9816 13.9836 k = 0.0000 0.5596 0.2773 ( 4254 PWs) bands (ev): -13.1226 -13.1225 -12.8938 -12.8937 -10.4578 -10.4577 -10.1652 -10.1645 -9.0102 -9.0099 -8.9676 -8.9668 -2.8730 -2.8717 -2.3627 -2.3610 -1.3652 -1.3652 -0.7387 -0.7357 -0.0890 -0.0860 0.0432 0.0459 0.7407 0.7424 0.8083 0.8123 1.6736 1.6744 2.0435 2.0447 2.4543 2.4552 2.9751 2.9756 3.5447 3.5448 3.6243 3.6264 3.7618 3.7626 4.3683 4.3695 4.9575 4.9576 5.1350 5.1352 12.0418 12.0422 12.2964 12.2982 12.6969 12.6971 13.2980 13.3018 13.9802 13.9821 k = 0.0000 0.5596 0.2936 ( 4256 PWs) bands (ev): -13.1151 -13.1150 -12.8978 -12.8977 -10.4297 -10.4297 -10.1440 -10.1433 -9.0561 -9.0558 -9.0075 -9.0066 -2.8561 -2.8548 -2.3578 -2.3563 -1.3567 -1.3564 -0.6985 -0.6954 -0.0341 -0.0310 0.0269 0.0297 0.7456 0.7473 0.7964 0.8006 1.6603 1.6611 2.0165 2.0178 2.4481 2.4490 2.9652 2.9659 3.5454 3.5454 3.6126 3.6148 3.7777 3.7785 4.3655 4.3667 4.9613 4.9614 5.1284 5.1286 12.0315 12.0320 12.2983 12.3003 12.6857 12.6860 13.2984 13.3028 13.9779 13.9786 k = 0.0000 0.5596 0.3099 ( 4250 PWs) bands (ev): -13.1073 -13.1072 -12.9020 -12.9019 -10.4003 -10.4002 -10.1217 -10.1209 -9.1029 -9.1026 -9.0482 -9.0473 -2.8380 -2.8367 -2.3545 -2.3531 -1.3469 -1.3465 -0.6670 -0.6638 0.0166 0.0179 0.0237 0.0252 0.7533 0.7551 0.7877 0.7920 1.6458 1.6466 1.9862 1.9875 2.4441 2.4450 2.9526 2.9533 3.5443 3.5444 3.5975 3.5999 3.7979 3.7987 4.3613 4.3625 4.9653 4.9653 5.1216 5.1219 12.0274 12.0280 12.3055 12.3077 12.6768 12.6771 13.2942 13.2992 13.9281 13.9311 k = 0.0000 0.5596 0.3262 ( 4252 PWs) bands (ev): -13.0994 -13.0992 -12.9066 -12.9065 -10.3694 -10.3693 -10.0983 -10.0976 -9.1504 -9.1502 -9.0895 -9.0885 -2.8190 -2.8176 -2.3530 -2.3519 -1.3356 -1.3350 -0.6463 -0.6431 0.0175 0.0205 0.0753 0.0784 0.7641 0.7660 0.7827 0.7873 1.6302 1.6309 1.9529 1.9542 2.4420 2.4430 2.9371 2.9378 3.5416 3.5417 3.5807 3.5831 3.8209 3.8215 4.3557 4.3569 4.9694 4.9695 5.1148 5.1151 12.0298 12.0303 12.3178 12.3201 12.6704 12.6707 13.2853 13.2908 13.8671 13.8702 k = 0.0000 0.5596 0.3425 ( 4252 PWs) bands (ev): -13.0912 -13.0911 -12.9114 -12.9113 -10.3371 -10.3371 -10.0740 -10.0732 -9.1985 -9.1982 -9.1312 -9.1302 -2.7989 -2.7976 -2.3536 -2.3527 -1.3226 -1.3218 -0.6376 -0.6343 0.0273 0.0303 0.1272 0.1303 0.7777 0.7793 0.7834 0.7876 1.6133 1.6140 1.9168 1.9181 2.4418 2.4427 2.9187 2.9195 3.5374 3.5377 3.5633 3.5658 3.8456 3.8461 4.3485 4.3497 4.9737 4.9737 5.1080 5.1083 12.0386 12.0391 12.3350 12.3375 12.6665 12.6667 13.2717 13.2778 13.8011 13.8045 k = 0.0000 0.5596 0.3588 ( 4258 PWs) bands (ev): -13.0829 -13.0828 -12.9166 -12.9165 -10.3036 -10.3035 -10.0488 -10.0480 -9.2469 -9.2466 -9.1731 -9.1722 -2.7780 -2.7766 -2.3563 -2.3556 -1.3077 -1.3067 -0.6405 -0.6373 0.0459 0.0491 0.1757 0.1786 0.7867 0.7898 0.7986 0.7990 1.5951 1.5958 1.8782 1.8795 2.4432 2.4441 2.8975 2.8983 3.5320 3.5323 3.5462 3.5487 3.8714 3.8718 4.3399 4.3409 4.9781 4.9782 5.1011 5.1014 12.0538 12.0543 12.3569 12.3596 12.6652 12.6652 13.2533 13.2599 13.7320 13.7356 k = 0.0000 0.5596 0.3751 ( 4248 PWs) bands (ev): -13.0745 -13.0744 -12.9220 -12.9219 -10.2688 -10.2687 -10.0229 -10.0221 -9.2952 -9.2950 -9.2152 -9.2142 -2.7563 -2.7549 -2.3612 -2.3608 -1.2908 -1.2896 -0.6538 -0.6506 0.0717 0.0750 0.2194 0.2220 0.7982 0.8018 0.8197 0.8208 1.5754 1.5761 1.8372 1.8384 2.4462 2.4470 2.8738 2.8746 3.5254 3.5257 3.5298 3.5325 3.8978 3.8982 4.3296 4.3307 4.9826 4.9827 5.0943 5.0947 12.0755 12.0759 12.3830 12.3859 12.6662 12.6662 13.2300 13.2371 13.6621 13.6658 k = 0.0000 0.5596 0.3914 ( 4248 PWs) bands (ev): -13.0660 -13.0659 -12.9277 -12.9276 -10.2328 -10.2327 -9.9964 -9.9956 -9.3432 -9.3430 -9.2572 -9.2562 -2.7338 -2.7324 -2.3684 -2.3681 -1.2716 -1.2702 -0.6755 -0.6723 0.1021 0.1055 0.2569 0.2592 0.8165 0.8200 0.8458 0.8469 1.5543 1.5549 1.7941 1.7953 2.4508 2.4516 2.8476 2.8485 3.5145 3.5163 3.5182 3.5196 3.9247 3.9250 4.3179 4.3189 4.9872 4.9874 5.0876 5.0880 12.1034 12.1037 12.4126 12.4157 12.6694 12.6696 13.2014 13.2088 13.5939 13.5975 k = 0.0000 0.5596 0.4077 ( 4242 PWs) bands (ev): -13.0575 -13.0574 -12.9336 -12.9335 -10.1958 -10.1957 -9.9697 -9.9688 -9.3905 -9.3903 -9.2989 -9.2979 -2.7108 -2.7094 -2.3778 -2.3778 -1.2502 -1.2487 -0.7035 -0.7004 0.1346 0.1380 0.2875 0.2893 0.8421 0.8453 0.8762 0.8774 1.5316 1.5321 1.7489 1.7501 2.4571 2.4579 2.8195 2.8203 3.5008 3.5031 3.5103 3.5113 3.9517 3.9519 4.3048 4.3056 4.9920 4.9922 5.0810 5.0814 12.1373 12.1375 12.4449 12.4481 12.6748 12.6752 13.1667 13.1741 13.5305 13.5339 k = 0.0000 0.5596 0.4240 ( 4248 PWs) bands (ev): -13.0489 -13.0488 -12.9399 -12.9398 -10.1578 -10.1577 -9.9431 -9.9422 -9.4366 -9.4363 -9.3402 -9.3391 -2.6872 -2.6858 -2.3895 -2.3894 -1.2265 -1.2248 -0.7361 -0.7330 0.1671 0.1706 0.3109 0.3121 0.8744 0.8771 0.9110 0.9120 1.5073 1.5077 1.7020 1.7030 2.4652 2.4659 2.7898 2.7906 3.4889 3.4912 3.5021 3.5032 3.9786 3.9788 4.2902 4.2910 4.9969 4.9971 5.0745 5.0749 12.1769 12.1770 12.4785 12.4819 12.6821 12.6827 13.1251 13.1323 13.4753 13.4782 k = 0.0000 0.5596 0.4403 ( 4244 PWs) bands (ev): -13.0404 -13.0402 -12.9464 -12.9463 -10.1191 -10.1190 -9.9174 -9.9165 -9.4805 -9.4802 -9.3807 -9.3797 -2.6632 -2.6618 -2.4033 -2.4030 -1.2006 -1.1987 -0.7717 -0.7687 0.1982 0.2016 0.3275 0.3280 0.9123 0.9146 0.9495 0.9505 1.4815 1.4818 1.6535 1.6545 2.4752 2.4758 2.7590 2.7597 3.4788 3.4812 3.4939 3.4951 4.0053 4.0054 4.2743 4.2750 5.0018 5.0021 5.0681 5.0685 12.2216 12.2217 12.5119 12.5154 12.6911 12.6920 13.0764 13.0827 13.4315 13.4334 k = 0.0000 0.5596 0.4567 ( 4250 PWs) bands (ev): -13.0318 -13.0317 -12.9532 -12.9530 -10.0798 -10.0797 -9.8937 -9.8928 -9.5211 -9.5208 -9.4203 -9.4192 -2.6390 -2.6377 -2.4190 -2.4185 -1.1725 -1.1704 -0.8094 -0.8064 0.2268 0.2301 0.3379 0.3379 0.9541 0.9559 0.9910 0.9918 1.4545 1.4548 1.6038 1.6048 2.4872 2.4878 2.7277 2.7284 3.4707 3.4730 3.4860 3.4874 4.0317 4.0318 4.2571 4.2578 5.0068 5.0072 5.0619 5.0623 12.2710 12.2712 12.5429 12.5465 12.7015 12.7026 13.0212 13.0265 13.4011 13.4017 k = 0.0000 0.5596 0.4730 ( 4250 PWs) bands (ev): -13.0233 -13.0232 -12.9602 -12.9601 -10.0403 -10.0401 -9.8741 -9.8733 -9.5562 -9.5559 -9.4585 -9.4575 -2.6147 -2.6134 -2.4364 -2.4358 -1.1423 -1.1400 -0.8482 -0.8453 0.2524 0.2556 0.3425 0.3430 0.9979 0.9993 1.0339 1.0346 1.4272 1.4274 1.5536 1.5545 2.5015 2.5020 2.6965 2.6971 3.4646 3.4669 3.4786 3.4801 4.0577 4.0577 4.2388 4.2394 5.0119 5.0123 5.0559 5.0563 12.3242 12.3246 12.5687 12.5722 12.7129 12.7144 12.9622 12.9662 13.3845 13.3851 k = 0.0000 0.5596 0.4893 ( 4248 PWs) bands (ev): -13.0149 -13.0148 -12.9674 -12.9673 -10.0011 -10.0009 -9.8618 -9.8610 -9.5826 -9.5822 -9.4948 -9.4938 -2.5904 -2.5891 -2.4554 -2.4546 -1.1101 -1.1077 -0.8875 -0.8847 0.2748 0.2777 0.3428 0.3438 1.0413 1.0424 1.0756 1.0761 1.4013 1.4015 1.5038 1.5047 2.5181 2.5186 2.6658 2.6664 3.4605 3.4627 3.4720 3.4737 4.0830 4.0831 4.2194 4.2199 5.0171 5.0175 5.0500 5.0504 12.3802 12.3807 12.5857 12.5887 12.7253 12.7271 12.9033 12.9058 13.3821 13.3837 k = 0.0000 0.5596 0.5056 ( 4250 PWs) bands (ev): -13.0066 -13.0065 -12.9749 -12.9748 -9.9630 -9.9627 -9.8605 -9.8599 -9.5964 -9.5959 -9.5284 -9.5275 -2.5664 -2.5651 -2.4757 -2.4748 -1.0761 -1.0737 -0.9268 -0.9240 0.2939 0.2966 0.3393 0.3407 1.0816 1.0824 1.1114 1.1118 1.3808 1.3809 1.4563 1.4571 2.5371 2.5376 2.6363 2.6368 3.4582 3.4604 3.4664 3.4682 4.1078 4.1079 4.1989 4.1993 5.0223 5.0227 5.0442 5.0446 12.4373 12.4379 12.5893 12.5914 12.7388 12.7408 12.8497 12.8507 13.3945 13.3969 k = 0.0000 0.5596 0.5219 ( 4248 PWs) bands (ev): -12.9985 -12.9983 -12.9826 -12.9824 -9.9272 -9.9268 -9.8724 -9.8719 -9.5955 -9.5949 -9.5580 -9.5571 -2.5427 -2.5415 -2.4971 -2.4961 -1.0406 -1.0380 -0.9657 -0.9629 0.3098 0.3122 0.3325 0.3344 1.1148 1.1154 1.1338 1.1339 1.3726 1.3729 1.4144 1.4151 2.5586 2.5590 2.6084 2.6089 3.4578 3.4600 3.4621 3.4640 4.1318 4.1320 4.1774 4.1777 5.0276 5.0281 5.0386 5.0390 12.4925 12.4930 12.5747 12.5757 12.7544 12.7565 12.8064 12.8069 13.4215 13.4243 k = 0.0000 0.5596 0.5382 ( 4240 PWs) bands (ev): -12.9904 -12.9904 -12.9903 -12.9903 -9.8959 -9.8959 -9.8955 -9.8955 -9.5815 -9.5815 -9.5807 -9.5807 -2.5195 -2.5195 -2.5184 -2.5184 -1.0037 -1.0037 -1.0010 -1.0010 0.3227 0.3227 0.3248 0.3248 1.1347 1.1347 1.1350 1.1350 1.3841 1.3841 1.3846 1.3846 2.5824 2.5824 2.5829 2.5829 3.4592 3.4592 3.4612 3.4612 4.1550 4.1550 4.1553 4.1553 5.0331 5.0331 5.0335 5.0335 12.5409 12.5409 12.5409 12.5409 12.7753 12.7753 12.7770 12.7770 13.4618 13.4618 k = 0.0000 0.5596 0.5382 ( 4240 PWs) bands (ev): -12.9904 -12.9904 -12.9903 -12.9903 -9.8959 -9.8959 -9.8955 -9.8955 -9.5815 -9.5815 -9.5807 -9.5807 -2.5195 -2.5195 -2.5184 -2.5184 -1.0037 -1.0037 -1.0010 -1.0010 0.3227 0.3227 0.3248 0.3248 1.1347 1.1347 1.1350 1.1350 1.3841 1.3841 1.3846 1.3846 2.5824 2.5824 2.5829 2.5829 3.4592 3.4592 3.4612 3.4612 4.1550 4.1550 4.1553 4.1553 5.0331 5.0331 5.0335 5.0335 12.5409 12.5409 12.5409 12.5409 12.7753 12.7753 12.7770 12.7770 13.4618 13.4618 k = 0.0164 0.5596 0.5382 ( 4244 PWs) bands (ev): -12.9902 -12.9902 -12.9901 -12.9901 -9.8982 -9.8982 -9.8977 -9.8977 -9.5795 -9.5795 -9.5787 -9.5787 -2.5177 -2.5177 -2.5166 -2.5166 -1.0068 -1.0068 -1.0041 -1.0041 0.3244 0.3244 0.3266 0.3266 1.1324 1.1324 1.1340 1.1340 1.3852 1.3852 1.3873 1.3873 2.5814 2.5814 2.5820 2.5820 3.4605 3.4605 3.4625 3.4625 4.1554 4.1554 4.1558 4.1558 5.0310 5.0310 5.0315 5.0315 12.5402 12.5402 12.5411 12.5411 12.7754 12.7754 12.7775 12.7775 13.4605 13.4605 k = 0.0329 0.5596 0.5382 ( 4242 PWs) bands (ev): -12.9897 -12.9897 -12.9895 -12.9895 -9.9050 -9.9050 -9.9043 -9.9043 -9.5738 -9.5738 -9.5728 -9.5728 -2.5124 -2.5124 -2.5112 -2.5112 -1.0160 -1.0160 -1.0133 -1.0133 0.3296 0.3296 0.3318 0.3318 1.1269 1.1269 1.1301 1.1301 1.3897 1.3897 1.3936 1.3936 2.5786 2.5786 2.5796 2.5796 3.4644 3.4644 3.4665 3.4665 4.1568 4.1568 4.1573 4.1573 5.0251 5.0251 5.0257 5.0257 12.5390 12.5390 12.5408 12.5408 12.7758 12.7758 12.7789 12.7789 13.4569 13.4569 k = 0.0493 0.5596 0.5382 ( 4248 PWs) bands (ev): -12.9888 -12.9888 -12.9886 -12.9886 -9.9157 -9.9157 -9.9147 -9.9147 -9.5648 -9.5648 -9.5636 -9.5636 -2.5035 -2.5035 -2.5023 -2.5023 -1.0312 -1.0312 -1.0285 -1.0285 0.3380 0.3380 0.3403 0.3403 1.1189 1.1189 1.1233 1.1233 1.3976 1.3976 1.4031 1.4031 2.5742 2.5742 2.5755 2.5755 3.4707 3.4707 3.4729 3.4729 4.1590 4.1590 4.1598 4.1598 5.0152 5.0152 5.0161 5.0161 12.5373 12.5373 12.5399 12.5399 12.7768 12.7768 12.7810 12.7810 13.4510 13.4510 k = 0.0657 0.5596 0.5382 ( 4252 PWs) bands (ev): -12.9875 -12.9875 -12.9874 -12.9874 -9.9297 -9.9297 -9.9285 -9.9285 -9.5531 -9.5531 -9.5517 -9.5517 -2.4911 -2.4911 -2.4898 -2.4898 -1.0520 -1.0520 -1.0494 -1.0494 0.3494 0.3494 0.3518 0.3518 1.1089 1.1089 1.1142 1.1142 1.4082 1.4082 1.4150 1.4150 2.5682 2.5682 2.5699 2.5699 3.4793 3.4793 3.4815 3.4815 4.1624 4.1624 4.1634 4.1634 5.0016 5.0016 5.0027 5.0027 12.5350 12.5350 12.5383 12.5383 12.7786 12.7786 12.7838 12.7838 13.4432 13.4432 k = 0.0822 0.5596 0.5382 ( 4248 PWs) bands (ev): -12.9859 -12.9859 -12.9858 -12.9858 -9.9463 -9.9463 -9.9449 -9.9449 -9.5392 -9.5392 -9.5377 -9.5377 -2.4753 -2.4753 -2.4739 -2.4739 -1.0782 -1.0782 -1.0755 -1.0755 0.3634 0.3634 0.3661 0.3661 1.0974 1.0974 1.1035 1.1035 1.4209 1.4209 1.4288 1.4288 2.5611 2.5611 2.5630 2.5630 3.4897 3.4897 3.4921 3.4921 4.1668 4.1668 4.1680 4.1680 4.9843 4.9843 4.9857 4.9857 12.5322 12.5322 12.5361 12.5361 12.7811 12.7811 12.7873 12.7873 13.4339 13.4339 k = 0.0986 0.5596 0.5382 ( 4244 PWs) bands (ev): -12.9840 -12.9840 -12.9838 -12.9838 -9.9649 -9.9649 -9.9634 -9.9634 -9.5238 -9.5238 -9.5221 -9.5221 -2.4562 -2.4562 -2.4547 -2.4547 -1.1092 -1.1092 -1.1066 -1.1066 0.3798 0.3798 0.3826 0.3826 1.0850 1.0850 1.0915 1.0915 1.4353 1.4353 1.4441 1.4441 2.5529 2.5529 2.5551 2.5551 3.5017 3.5017 3.5041 3.5041 4.1725 4.1725 4.1739 4.1739 4.9637 4.9637 4.9653 4.9653 12.5287 12.5287 12.5332 12.5332 12.7846 12.7846 12.7916 12.7916 13.4233 13.4233 k = 0.1150 0.5596 0.5382 ( 4240 PWs) bands (ev): -12.9818 -12.9818 -12.9816 -12.9816 -9.9849 -9.9849 -9.9834 -9.9834 -9.5072 -9.5072 -9.5055 -9.5055 -2.4337 -2.4337 -2.4321 -2.4321 -1.1448 -1.1448 -1.1422 -1.1422 0.3981 0.3981 0.4010 0.4010 1.0719 1.0719 1.0787 1.0787 1.4508 1.4508 1.4602 1.4602 2.5439 2.5439 2.5464 2.5464 3.5149 3.5149 3.5173 3.5173 4.1794 4.1794 4.1810 4.1810 4.9399 4.9399 4.9417 4.9417 12.5245 12.5245 12.5294 12.5294 12.7890 12.7890 12.7968 12.7968 13.4119 13.4119 k = 0.1315 0.5596 0.5382 ( 4236 PWs) bands (ev): -12.9793 -12.9793 -12.9792 -12.9792 -10.0061 -10.0061 -10.0045 -10.0045 -9.4898 -9.4898 -9.4881 -9.4881 -2.4081 -2.4081 -2.4064 -2.4064 -1.1845 -1.1845 -1.1818 -1.1818 0.4179 0.4179 0.4210 0.4210 1.0586 1.0586 1.0655 1.0655 1.4670 1.4670 1.4770 1.4770 2.5346 2.5346 2.5372 2.5372 3.5287 3.5287 3.5311 3.5311 4.1879 4.1879 4.1896 4.1896 4.9131 4.9131 4.9152 4.9152 12.5196 12.5196 12.5248 12.5248 12.7944 12.7944 12.8029 12.8029 13.4000 13.4000 k = 0.1479 0.5596 0.5382 ( 4230 PWs) bands (ev): -12.9766 -12.9766 -12.9764 -12.9764 -10.0280 -10.0280 -10.0263 -10.0263 -9.4720 -9.4720 -9.4702 -9.4702 -2.3795 -2.3795 -2.3777 -2.3777 -1.2278 -1.2278 -1.2251 -1.2251 0.4389 0.4389 0.4422 0.4422 1.0451 1.0451 1.0522 1.0522 1.4836 1.4836 1.4940 1.4940 2.5250 2.5250 2.5278 2.5278 3.5427 3.5427 3.5450 3.5450 4.1979 4.1979 4.1998 4.1998 4.8838 4.8838 4.8861 4.8861 12.5137 12.5137 12.5191 12.5191 12.8009 12.8009 12.8099 12.8099 13.3880 13.3880 k = 0.1643 0.5596 0.5382 ( 4228 PWs) bands (ev): -12.9737 -12.9737 -12.9735 -12.9735 -10.0504 -10.0504 -10.0487 -10.0487 -9.4538 -9.4538 -9.4520 -9.4520 -2.3480 -2.3480 -2.3460 -2.3460 -1.2743 -1.2743 -1.2717 -1.2717 0.4607 0.4607 0.4642 0.4642 1.0319 1.0319 1.0389 1.0389 1.5003 1.5003 1.5110 1.5110 2.5155 2.5155 2.5184 2.5184 3.5566 3.5566 3.5587 3.5587 4.2097 4.2097 4.2117 4.2117 4.8521 4.8521 4.8547 4.8547 12.5070 12.5070 12.5125 12.5125 12.8084 12.8084 12.8178 12.8178 13.3762 13.3762 k = 0.1808 0.5596 0.5382 ( 4230 PWs) bands (ev): -12.9706 -12.9706 -12.9705 -12.9705 -10.0730 -10.0730 -10.0713 -10.0713 -9.4355 -9.4355 -9.4337 -9.4337 -2.3138 -2.3138 -2.3117 -2.3117 -1.3238 -1.3238 -1.3211 -1.3211 0.4831 0.4831 0.4867 0.4867 1.0189 1.0189 1.0259 1.0259 1.5167 1.5167 1.5277 1.5277 2.5063 2.5063 2.5093 2.5093 3.5697 3.5697 3.5717 3.5717 4.2233 4.2233 4.2254 4.2254 4.8185 4.8185 4.8213 4.8213 12.4991 12.4991 12.5047 12.5047 12.8168 12.8168 12.8266 12.8266 13.3650 13.3650 k = 0.1972 0.5596 0.5382 ( 4226 PWs) bands (ev): -12.9674 -12.9674 -12.9673 -12.9673 -10.0956 -10.0956 -10.0939 -10.0939 -9.4172 -9.4172 -9.4153 -9.4153 -2.2770 -2.2770 -2.2747 -2.2747 -1.3758 -1.3758 -1.3731 -1.3731 0.5056 0.5056 0.5094 0.5094 1.0065 1.0065 1.0134 1.0134 1.5328 1.5328 1.5440 1.5440 2.4977 2.4977 2.5007 2.5007 3.5818 3.5818 3.5835 3.5835 4.2390 4.2390 4.2412 4.2412 4.7833 4.7833 4.7863 4.7863 12.4901 12.4901 12.4957 12.4957 12.8260 12.8260 12.8361 12.8361 13.3548 13.3548 k = 0.2136 0.5596 0.5382 ( 4228 PWs) bands (ev): -12.9642 -12.9642 -12.9640 -12.9640 -10.1180 -10.1180 -10.1163 -10.1163 -9.3989 -9.3989 -9.3970 -9.3970 -2.2379 -2.2379 -2.2355 -2.2355 -1.4301 -1.4301 -1.4273 -1.4273 0.5281 0.5281 0.5320 0.5320 0.9947 0.9947 1.0014 1.0014 1.5481 1.5481 1.5595 1.5595 2.4899 2.4899 2.4929 2.4929 3.5924 3.5924 3.5939 3.5939 4.2567 4.2567 4.2590 4.2590 4.7470 4.7470 4.7501 4.7501 12.4798 12.4798 12.4854 12.4854 12.8357 12.8357 12.8461 12.8461 13.3460 13.3460 k = 0.2300 0.5596 0.5382 ( 4230 PWs) bands (ev): -12.9609 -12.9609 -12.9607 -12.9607 -10.1402 -10.1402 -10.1385 -10.1385 -9.3807 -9.3807 -9.3788 -9.3788 -2.1967 -2.1967 -2.1941 -2.1941 -1.4862 -1.4862 -1.4833 -1.4833 0.5503 0.5503 0.5543 0.5543 0.9837 0.9837 0.9903 0.9903 1.5625 1.5625 1.5740 1.5740 2.4830 2.4830 2.4860 2.4860 3.6013 3.6013 3.6025 3.6025 4.2766 4.2766 4.2790 4.2790 4.7097 4.7097 4.7130 4.7130 12.4683 12.4683 12.4738 12.4738 12.8458 12.8458 12.8563 12.8563 13.3390 13.3390 k = 0.2465 0.5596 0.5382 ( 4230 PWs) bands (ev): -12.9576 -12.9576 -12.9574 -12.9574 -10.1618 -10.1618 -10.1602 -10.1602 -9.3626 -9.3626 -9.3607 -9.3607 -2.1536 -2.1536 -2.1510 -2.1510 -1.5438 -1.5438 -1.5409 -1.5409 0.5718 0.5718 0.5759 0.5759 0.9738 0.9738 0.9802 0.9802 1.5757 1.5757 1.5873 1.5873 2.4774 2.4774 2.4804 2.4804 3.6082 3.6082 3.6091 3.6091 4.2986 4.2986 4.3011 4.3011 4.6721 4.6721 4.6755 4.6755 12.4553 12.4553 12.4607 12.4607 12.8560 12.8560 12.8666 12.8666 13.3341 13.3341 k = 0.2629 0.5596 0.5382 ( 4236 PWs) bands (ev): -12.9544 -12.9544 -12.9542 -12.9542 -10.1829 -10.1829 -10.1812 -10.1812 -9.3447 -9.3447 -9.3429 -9.3429 -2.1092 -2.1092 -2.1064 -2.1064 -1.6026 -1.6026 -1.5996 -1.5996 0.5925 0.5925 0.5967 0.5967 0.9651 0.9651 0.9713 0.9713 1.5874 1.5874 1.5991 1.5991 2.4732 2.4732 2.4761 2.4761 3.6129 3.6129 3.6137 3.6137 4.3227 4.3227 4.3252 4.3252 4.6344 4.6344 4.6379 4.6379 12.4408 12.4408 12.4462 12.4462 12.8658 12.8658 12.8764 12.8764 13.3318 13.3318 k = 0.2793 0.5596 0.5382 ( 4244 PWs) bands (ev): -12.9513 -12.9513 -12.9511 -12.9511 -10.2032 -10.2032 -10.2016 -10.2016 -9.3271 -9.3271 -9.3252 -9.3252 -2.0641 -2.0641 -2.0611 -2.0611 -1.6619 -1.6619 -1.6588 -1.6588 0.6119 0.6119 0.6162 0.6162 0.9581 0.9581 0.9640 0.9640 1.5975 1.5975 1.6092 1.6092 2.4705 2.4705 2.4734 2.4734 3.6155 3.6155 3.6162 3.6162 4.3486 4.3486 4.3513 4.3513 4.5971 4.5971 4.6007 4.6007 12.4249 12.4249 12.4302 12.4302 12.8748 12.8748 12.8854 12.8854 13.3326 13.3326 k = 0.2958 0.5596 0.5382 ( 4244 PWs) bands (ev): -12.9484 -12.9484 -12.9482 -12.9482 -10.2226 -10.2226 -10.2210 -10.2210 -9.3096 -9.3096 -9.3078 -9.3078 -2.0195 -2.0195 -2.0163 -2.0163 -1.7204 -1.7204 -1.7171 -1.7171 0.6297 0.6297 0.6341 0.6341 0.9529 0.9529 0.9586 0.9586 1.6056 1.6056 1.6174 1.6174 2.4696 2.4696 2.4724 2.4724 3.6158 3.6158 3.6165 3.6165 4.3762 4.3762 4.3791 4.3791 4.5607 4.5607 4.5643 4.5643 12.4074 12.4074 12.4127 12.4127 12.8829 12.8829 12.8933 12.8933 13.3365 13.3365 k = 0.3122 0.5596 0.5382 ( 4248 PWs) bands (ev): -12.9457 -12.9457 -12.9455 -12.9455 -10.2411 -10.2411 -10.2395 -10.2395 -9.2924 -9.2924 -9.2906 -9.2906 -1.9789 -1.9789 -1.9757 -1.9757 -1.7745 -1.7745 -1.7712 -1.7712 0.6455 0.6455 0.6499 0.6499 0.9501 0.9501 0.9556 0.9556 1.6115 1.6115 1.6233 1.6233 2.4707 2.4707 2.4733 2.4733 3.6141 3.6141 3.6149 3.6149 4.4046 4.4046 4.4077 4.4077 4.5261 4.5261 4.5295 4.5295 12.3885 12.3885 12.3937 12.3937 12.8895 12.8895 12.8998 12.8998 13.3440 13.3440 k = 0.3286 0.5596 0.5382 ( 4248 PWs) bands (ev): -12.9432 -12.9432 -12.9431 -12.9431 -10.2585 -10.2585 -10.2569 -10.2569 -9.2754 -9.2754 -9.2736 -9.2736 -1.9544 -1.9544 -1.9520 -1.9520 -1.8115 -1.8115 -1.8090 -1.8090 0.6588 0.6588 0.6633 0.6633 0.9500 0.9500 0.9553 0.9553 1.6151 1.6151 1.6268 1.6268 2.4737 2.4737 2.4763 2.4763 3.6105 3.6105 3.6113 3.6113 4.4306 4.4306 4.4340 4.4340 4.4966 4.4966 4.4995 4.4995 12.3681 12.3681 12.3732 12.3732 12.8945 12.8945 12.9046 12.9046 13.3549 13.3549 k = 0.3451 0.5596 0.5382 ( 4248 PWs) bands (ev): -12.9411 -12.9411 -12.9410 -12.9410 -10.2747 -10.2747 -10.2732 -10.2732 -9.2587 -9.2587 -9.2570 -9.2570 -1.9705 -1.9705 -1.9700 -1.9700 -1.8068 -1.8068 -1.8062 -1.8062 0.6692 0.6692 0.6737 0.6737 0.9532 0.9532 0.9583 0.9583 1.6160 1.6160 1.6276 1.6276 2.4790 2.4790 2.4815 2.4815 3.6052 3.6052 3.6061 3.6061 4.4360 4.4360 4.4394 4.4394 4.4914 4.4914 4.4922 4.4922 12.3463 12.3463 12.3514 12.3514 12.8979 12.8979 12.9077 12.9077 13.3691 13.3691 k = 0.3451 0.5596 0.5382 ( 4248 PWs) bands (ev): -12.9411 -12.9411 -12.9410 -12.9410 -10.2747 -10.2747 -10.2732 -10.2732 -9.2587 -9.2587 -9.2570 -9.2570 -1.9705 -1.9705 -1.9700 -1.9700 -1.8068 -1.8068 -1.8062 -1.8062 0.6692 0.6692 0.6737 0.6737 0.9532 0.9532 0.9583 0.9583 1.6160 1.6160 1.6276 1.6276 2.4790 2.4790 2.4815 2.4815 3.6052 3.6052 3.6061 3.6061 4.4360 4.4360 4.4394 4.4394 4.4914 4.4914 4.4922 4.4922 12.3463 12.3463 12.3514 12.3514 12.8979 12.8979 12.9077 12.9077 13.3691 13.3691 k = 0.3364 0.5456 0.5382 ( 4248 PWs) bands (ev): -12.9449 -12.9449 -12.9448 -12.9448 -10.2443 -10.2443 -10.2427 -10.2427 -9.2906 -9.2906 -9.2887 -9.2887 -1.8969 -1.8969 -1.8966 -1.8966 -1.8552 -1.8552 -1.8546 -1.8546 0.6515 0.6515 0.6560 0.6560 0.9438 0.9438 0.9492 0.9492 1.6173 1.6173 1.6290 1.6290 2.4675 2.4675 2.4701 2.4701 3.6161 3.6161 3.6169 3.6169 4.4620 4.4620 4.4623 4.4623 4.4662 4.4662 4.4691 4.4691 12.3879 12.3879 12.3931 12.3931 12.8926 12.8926 12.9029 12.9029 13.3411 13.3411 k = 0.3278 0.5316 0.5382 ( 4242 PWs) bands (ev): -12.9488 -12.9488 -12.9487 -12.9487 -10.2125 -10.2125 -10.2108 -10.2108 -9.3228 -9.3228 -9.3209 -9.3209 -1.9061 -1.9061 -1.9056 -1.9056 -1.8213 -1.8213 -1.8211 -1.8211 0.6322 0.6322 0.6365 0.6365 0.9342 0.9342 0.9399 0.9399 1.6195 1.6195 1.6312 1.6312 2.4574 2.4574 2.4602 2.4602 3.6259 3.6259 3.6265 3.6265 4.4357 4.4357 4.4366 4.4366 4.4947 4.4947 4.4981 4.4981 12.4262 12.4262 12.4314 12.4314 12.8856 12.8856 12.8963 12.8963 13.3179 13.3179 k = 0.3192 0.5176 0.5382 ( 4236 PWs) bands (ev): -12.9529 -12.9529 -12.9528 -12.9528 -10.1793 -10.1793 -10.1776 -10.1776 -9.3552 -9.3552 -9.3533 -9.3533 -1.9589 -1.9589 -1.9584 -1.9584 -1.7445 -1.7445 -1.7444 -1.7444 0.6112 0.6112 0.6153 0.6153 0.9244 0.9244 0.9304 0.9304 1.6227 1.6227 1.6344 1.6344 2.4488 2.4488 2.4518 2.4518 3.6346 3.6346 3.6350 3.6350 4.4095 4.4095 4.4103 4.4103 4.5260 4.5260 4.5293 4.5293 12.4597 12.4597 12.4648 12.4648 12.8765 12.8765 12.8875 12.8875 13.3010 13.3010 k = 0.3106 0.5036 0.5382 ( 4236 PWs) bands (ev): -12.9572 -12.9572 -12.9570 -12.9570 -10.1448 -10.1448 -10.1431 -10.1431 -9.3878 -9.3878 -9.3859 -9.3859 -2.0137 -2.0137 -2.0133 -2.0133 -1.6666 -1.6666 -1.6666 -1.6666 0.5885 0.5885 0.5924 0.5924 0.9144 0.9144 0.9207 0.9207 1.6270 1.6270 1.6385 1.6385 2.4419 2.4419 2.4450 2.4450 3.6421 3.6421 3.6423 3.6423 4.3843 4.3843 4.3852 4.3852 4.5586 4.5586 4.5618 4.5618 12.4867 12.4867 12.4916 12.4916 12.8646 12.8646 12.8760 12.8760 13.2920 13.2920 k = 0.3019 0.4896 0.5382 ( 4240 PWs) bands (ev): -12.9616 -12.9616 -12.9615 -12.9615 -10.1091 -10.1091 -10.1073 -10.1073 -9.4203 -9.4203 -9.4184 -9.4184 -2.0705 -2.0705 -2.0701 -2.0701 -1.5879 -1.5879 -1.5878 -1.5878 0.5642 0.5642 0.5678 0.5678 0.9042 0.9042 0.9109 0.9109 1.6325 1.6325 1.6438 1.6438 2.4368 2.4368 2.4401 2.4401 3.6485 3.6485 3.6485 3.6485 4.3605 4.3605 4.3612 4.3612 4.5922 4.5922 4.5952 4.5952 12.5060 12.5060 12.5106 12.5106 12.8495 12.8495 12.8611 12.8611 13.2923 13.2923 k = 0.2933 0.4756 0.5382 ( 4236 PWs) bands (ev): -12.9662 -12.9662 -12.9660 -12.9660 -10.0722 -10.0722 -10.0703 -10.0703 -9.4528 -9.4528 -9.4509 -9.4509 -2.1291 -2.1291 -2.1288 -2.1288 -1.5087 -1.5087 -1.5083 -1.5083 0.5382 0.5382 0.5417 0.5417 0.8939 0.8939 0.9009 0.9009 1.6391 1.6391 1.6503 1.6503 2.4337 2.4337 2.4371 2.4371 3.6536 3.6536 3.6539 3.6539 4.3379 4.3379 4.3387 4.3387 4.6267 4.6267 4.6296 4.6296 12.5166 12.5166 12.5209 12.5209 12.8307 12.8307 12.8425 12.8425 13.3026 13.3026 k = 0.2847 0.4616 0.5382 ( 4252 PWs) bands (ev): -12.9709 -12.9709 -12.9707 -12.9707 -10.0341 -10.0341 -10.0322 -10.0322 -9.4850 -9.4850 -9.4832 -9.4832 -2.1894 -2.1894 -2.1891 -2.1891 -1.4292 -1.4292 -1.4286 -1.4286 0.5108 0.5108 0.5140 0.5140 0.8835 0.8835 0.8908 0.8908 1.6470 1.6470 1.6579 1.6579 2.4325 2.4325 2.4361 2.4361 3.6576 3.6576 3.6582 3.6582 4.3168 4.3168 4.3175 4.3175 4.6619 4.6619 4.6647 4.6647 12.5187 12.5187 12.5225 12.5225 12.8081 12.8081 12.8200 12.8200 13.3228 13.3228 k = 0.2761 0.4477 0.5382 ( 4248 PWs) bands (ev): -12.9757 -12.9757 -12.9755 -12.9755 -9.9949 -9.9949 -9.9930 -9.9930 -9.5170 -9.5170 -9.5151 -9.5151 -2.2513 -2.2513 -2.2511 -2.2511 -1.3497 -1.3497 -1.3489 -1.3489 0.4819 0.4819 0.4849 0.4849 0.8731 0.8731 0.8807 0.8807 1.6561 1.6561 1.6666 1.6666 2.4334 2.4334 2.4371 2.4371 3.6607 3.6607 3.6616 3.6616 4.2971 4.2971 4.2978 4.2978 4.6978 4.6978 4.7004 4.7004 12.5129 12.5129 12.5162 12.5162 12.7814 12.7814 12.7933 12.7933 13.3522 13.3522 k = 0.2674 0.4337 0.5382 ( 4240 PWs) bands (ev): -12.9806 -12.9806 -12.9804 -12.9804 -9.9548 -9.9548 -9.9528 -9.9528 -9.5485 -9.5485 -9.5467 -9.5467 -2.3146 -2.3146 -2.3145 -2.3145 -1.2706 -1.2706 -1.2695 -1.2695 0.4519 0.4519 0.4545 0.4545 0.8626 0.8626 0.8705 0.8705 1.6663 1.6663 1.6766 1.6766 2.4364 2.4364 2.4403 2.4403 3.6630 3.6630 3.6642 3.6642 4.2789 4.2789 4.2795 4.2795 4.7341 4.7341 4.7365 4.7365 12.5005 12.5005 12.5034 12.5034 12.7507 12.7507 12.7626 12.7626 13.3892 13.3892 k = 0.2588 0.4197 0.5382 ( 4236 PWs) bands (ev): -12.9856 -12.9856 -12.9854 -12.9854 -9.9137 -9.9137 -9.9116 -9.9116 -9.5796 -9.5796 -9.5777 -9.5777 -2.3793 -2.3793 -2.3793 -2.3793 -1.1920 -1.1920 -1.1907 -1.1907 0.4207 0.4207 0.4231 0.4231 0.8521 0.8521 0.8603 0.8603 1.6777 1.6777 1.6876 1.6876 2.4417 2.4417 2.4457 2.4457 3.6644 3.6644 3.6659 3.6659 4.2621 4.2621 4.2627 4.2627 4.7707 4.7707 4.7729 4.7729 12.4831 12.4831 12.4857 12.4857 12.7161 12.7161 12.7278 12.7278 13.4319 13.4319 k = 0.2502 0.4057 0.5382 ( 4244 PWs) bands (ev): -12.9907 -12.9907 -12.9905 -12.9905 -9.8717 -9.8717 -9.8696 -9.8696 -9.6101 -9.6101 -9.6083 -9.6083 -2.4453 -2.4453 -2.4452 -2.4452 -1.1142 -1.1142 -1.1127 -1.1127 0.3886 0.3886 0.3908 0.3908 0.8416 0.8416 0.8502 0.8502 1.6902 1.6902 1.6997 1.6997 2.4491 2.4491 2.4533 2.4533 3.6651 3.6651 3.6669 3.6669 4.2468 4.2468 4.2473 4.2473 4.8074 4.8074 4.8095 4.8095 12.4621 12.4621 12.4644 12.4644 12.6777 12.6777 12.6893 12.6893 13.4784 13.4784 k = 0.2416 0.3917 0.5382 ( 4254 PWs) bands (ev): -12.9958 -12.9958 -12.9957 -12.9957 -9.8290 -9.8290 -9.8269 -9.8269 -9.6399 -9.6399 -9.6382 -9.6382 -2.5123 -2.5123 -2.5121 -2.5121 -1.0376 -1.0376 -1.0358 -1.0358 0.3558 0.3558 0.3577 0.3577 0.8313 0.8313 0.8402 0.8402 1.7037 1.7037 1.7128 1.7128 2.4586 2.4586 2.4631 2.4631 3.6653 3.6653 3.6674 3.6674 4.2329 4.2329 4.2333 4.2333 4.8441 4.8441 4.8460 4.8460 12.4390 12.4390 12.4410 12.4410 12.6360 12.6360 12.6474 12.6474 13.5267 13.5267 k = 0.2329 0.3777 0.5382 ( 4252 PWs) bands (ev): -13.0011 -13.0011 -13.0009 -13.0009 -9.7856 -9.7856 -9.7835 -9.7835 -9.6691 -9.6691 -9.6674 -9.6674 -2.5801 -2.5801 -2.5799 -2.5799 -0.9625 -0.9625 -0.9603 -0.9603 0.3224 0.3224 0.3241 0.3241 0.8211 0.8211 0.8303 0.8303 1.7181 1.7181 1.7269 1.7269 2.4703 2.4703 2.4749 2.4749 3.6649 3.6649 3.6674 3.6674 4.2204 4.2204 4.2207 4.2207 4.8806 4.8806 4.8823 4.8823 12.4147 12.4147 12.4165 12.4165 12.5912 12.5912 12.6024 12.6024 13.5751 13.5751 k = 0.2243 0.3637 0.5382 ( 4260 PWs) bands (ev): -13.0063 -13.0063 -13.0061 -13.0061 -9.7417 -9.7417 -9.7395 -9.7395 -9.6975 -9.6975 -9.6958 -9.6958 -2.6487 -2.6487 -2.6483 -2.6483 -0.8889 -0.8889 -0.8864 -0.8864 0.2886 0.2886 0.2901 0.2901 0.8111 0.8111 0.8206 0.8206 1.7333 1.7333 1.7417 1.7417 2.4841 2.4841 2.4888 2.4888 3.6642 3.6642 3.6669 3.6669 4.2091 4.2091 4.2095 4.2095 4.9168 4.9168 4.9183 4.9183 12.3902 12.3902 12.3918 12.3918 12.5439 12.5439 12.5547 12.5547 13.6215 13.6215 k = 0.2157 0.3497 0.5382 ( 4252 PWs) bands (ev): -13.0116 -13.0116 -13.0114 -13.0114 -9.7253 -9.7253 -9.7235 -9.7235 -9.6971 -9.6971 -9.6950 -9.6950 -2.7177 -2.7177 -2.7173 -2.7173 -0.8173 -0.8173 -0.8144 -0.8144 0.2547 0.2547 0.2560 0.2560 0.8014 0.8014 0.8111 0.8111 1.7492 1.7492 1.7572 1.7572 2.4998 2.4998 2.5047 2.5047 3.6632 3.6632 3.6663 3.6663 4.1992 4.1992 4.1994 4.1994 4.9526 4.9526 4.9538 4.9538 12.3662 12.3662 12.3676 12.3676 12.4944 12.4944 12.5049 12.5049 13.6639 13.6639 k = 0.2070 0.3357 0.5382 ( 4256 PWs) bands (ev): -13.0169 -13.0169 -13.0167 -13.0167 -9.7520 -9.7520 -9.7503 -9.7503 -9.6523 -9.6523 -9.6502 -9.6502 -2.7871 -2.7871 -2.7866 -2.7866 -0.7478 -0.7478 -0.7446 -0.7446 0.2209 0.2209 0.2220 0.2220 0.7920 0.7920 0.8020 0.8020 1.7657 1.7657 1.7734 1.7734 2.5172 2.5172 2.5223 2.5223 3.6622 3.6622 3.6656 3.6656 4.1904 4.1904 4.1906 4.1906 4.9877 4.9877 4.9888 4.9888 12.3433 12.3433 12.3445 12.3445 12.4433 12.4433 12.4534 12.4534 13.7002 13.7002 k = 0.1984 0.3217 0.5382 ( 4256 PWs) bands (ev): -13.0221 -13.0221 -13.0219 -13.0219 -9.7779 -9.7779 -9.7763 -9.7763 -9.6073 -9.6073 -9.6052 -9.6052 -2.8566 -2.8566 -2.8560 -2.8560 -0.6806 -0.6806 -0.6771 -0.6771 0.1872 0.1872 0.1881 0.1881 0.7831 0.7831 0.7933 0.7933 1.7827 1.7827 1.7900 1.7900 2.5363 2.5363 2.5415 2.5415 3.6612 3.6612 3.6649 3.6649 4.1827 4.1827 4.1828 4.1828 5.0221 5.0221 5.0230 5.0230 12.3218 12.3218 12.3230 12.3230 12.3910 12.3910 12.4007 12.4007 13.7281 13.7281 k = 0.1898 0.3078 0.5382 ( 4260 PWs) bands (ev): -13.0273 -13.0273 -13.0271 -13.0271 -9.8028 -9.8028 -9.8012 -9.8012 -9.5622 -9.5622 -9.5600 -9.5600 -2.9259 -2.9259 -2.9252 -2.9252 -0.6160 -0.6160 -0.6121 -0.6121 0.1539 0.1539 0.1547 0.1547 0.7747 0.7747 0.7851 0.7851 1.8002 1.8002 1.8071 1.8071 2.5567 2.5567 2.5620 2.5620 3.6604 3.6604 3.6644 3.6644 4.1760 4.1760 4.1761 4.1761 5.0556 5.0556 5.0563 5.0563 12.3020 12.3020 12.3033 12.3033 12.3381 12.3381 12.3471 12.3471 13.7456 13.7456 k = 0.1812 0.2938 0.5382 ( 4252 PWs) bands (ev): -13.0325 -13.0325 -13.0323 -13.0323 -9.8268 -9.8268 -9.8253 -9.8253 -9.5171 -9.5171 -9.5149 -9.5149 -2.9949 -2.9949 -2.9942 -2.9942 -0.5542 -0.5542 -0.5499 -0.5499 0.1211 0.1211 0.1218 0.1218 0.7668 0.7668 0.7775 0.7775 1.8178 1.8178 1.8244 1.8244 2.5782 2.5782 2.5837 2.5837 3.6599 3.6599 3.6643 3.6643 4.1703 4.1703 4.1703 4.1703 5.0881 5.0881 5.0887 5.0887 12.2799 12.2799 12.2853 12.2853 12.2891 12.2891 12.2935 12.2935 13.7511 13.7511 k = 0.1725 0.2798 0.5382 ( 4256 PWs) bands (ev): -13.0376 -13.0376 -13.0374 -13.0374 -9.8498 -9.8498 -9.8483 -9.8483 -9.4722 -9.4722 -9.4701 -9.4701 -3.0633 -3.0633 -3.0626 -3.0626 -0.4952 -0.4952 -0.4907 -0.4907 0.0890 0.0890 0.0896 0.0896 0.7596 0.7596 0.7704 0.7704 1.8357 1.8357 1.8419 1.8419 2.6006 2.6006 2.6062 2.6062 3.6600 3.6600 3.6646 3.6646 4.1655 4.1655 4.1655 4.1655 5.1196 5.1196 5.1200 5.1200 12.2298 12.2298 12.2390 12.2390 12.2705 12.2705 12.2706 12.2706 13.7441 13.7441 k = 0.1639 0.2658 0.5382 ( 4252 PWs) bands (ev): -13.0426 -13.0426 -13.0424 -13.0424 -9.8717 -9.8717 -9.8703 -9.8703 -9.4276 -9.4276 -9.4255 -9.4255 -3.1309 -3.1309 -3.1301 -3.1301 -0.4393 -0.4393 -0.4344 -0.4344 0.0578 0.0578 0.0582 0.0582 0.7531 0.7531 0.7640 0.7640 1.8536 1.8536 1.8594 1.8594 2.6235 2.6235 2.6291 2.6291 3.6608 3.6608 3.6657 3.6657 4.1614 4.1614 4.1614 4.1614 5.1498 5.1498 5.1501 5.1501 12.1769 12.1769 12.1854 12.1854 12.2575 12.2575 12.2577 12.2577 13.7255 13.7255 k = 0.1553 0.2518 0.5382 ( 4256 PWs) bands (ev): -13.0475 -13.0475 -13.0473 -13.0473 -9.8926 -9.8926 -9.8913 -9.8913 -9.3835 -9.3835 -9.3815 -9.3815 -3.1975 -3.1975 -3.1966 -3.1966 -0.3866 -0.3866 -0.3814 -0.3814 0.0275 0.0275 0.0279 0.0279 0.7474 0.7474 0.7584 0.7584 1.8713 1.8713 1.8769 1.8769 2.6465 2.6465 2.6523 2.6523 3.6625 3.6625 3.6676 3.6676 4.1580 4.1580 4.1581 4.1581 5.1788 5.1788 5.1789 5.1789 12.1245 12.1245 12.1326 12.1326 12.2471 12.2471 12.2472 12.2472 13.6969 13.6969 k = 0.1467 0.2378 0.5382 ( 4248 PWs) bands (ev): -13.0522 -13.0522 -13.0521 -13.0521 -9.9125 -9.9125 -9.9112 -9.9112 -9.3401 -9.3401 -9.3381 -9.3381 -3.2627 -3.2627 -3.2618 -3.2618 -0.3372 -0.3372 -0.3317 -0.3317 -0.0017 -0.0017 -0.0014 -0.0014 0.7426 0.7426 0.7536 0.7536 1.8889 1.8889 1.8941 1.8941 2.6694 2.6694 2.6752 2.6752 3.6651 3.6651 3.6704 3.6704 4.1553 4.1553 4.1554 4.1554 5.2064 5.2064 5.2064 5.2064 12.0732 12.0732 12.0808 12.0808 12.2392 12.2392 12.2393 12.2393 13.6609 13.6609 k = 0.1380 0.2238 0.5382 ( 4252 PWs) bands (ev): -13.0569 -13.0569 -13.0567 -13.0567 -9.9312 -9.9312 -9.9300 -9.9300 -9.2976 -9.2976 -9.2956 -9.2956 -3.3262 -3.3262 -3.3253 -3.3253 -0.2911 -0.2911 -0.2855 -0.2855 -0.0297 -0.0297 -0.0295 -0.0295 0.7386 0.7386 0.7497 0.7497 1.9062 1.9062 1.9111 1.9111 2.6918 2.6918 2.6976 2.6976 3.6689 3.6689 3.6743 3.6743 4.1532 4.1532 4.1533 4.1533 5.2324 5.2324 5.2326 5.2326 12.0232 12.0232 12.0304 12.0304 12.2336 12.2336 12.2336 12.2336 13.6197 13.6197 k = 0.1294 0.2098 0.5382 ( 4256 PWs) bands (ev): -13.0613 -13.0613 -13.0611 -13.0611 -9.9489 -9.9489 -9.9478 -9.9478 -9.2561 -9.2561 -9.2542 -9.2542 -3.3879 -3.3879 -3.3870 -3.3870 -0.2484 -0.2484 -0.2426 -0.2426 -0.0564 -0.0564 -0.0563 -0.0563 0.7356 0.7356 0.7465 0.7465 1.9231 1.9231 1.9276 1.9276 2.7134 2.7134 2.7192 2.7192 3.6738 3.6738 3.6793 3.6793 4.1516 4.1516 4.1517 4.1517 5.2569 5.2569 5.2572 5.2572 11.9749 11.9749 11.9816 11.9816 12.2303 12.2303 12.2303 12.2303 13.5757 13.5757 k = 0.1208 0.1958 0.5382 ( 4256 PWs) bands (ev): -13.0655 -13.0655 -13.0654 -13.0654 -9.9655 -9.9655 -9.9644 -9.9644 -9.2159 -9.2159 -9.2141 -9.2141 -3.4475 -3.4475 -3.4465 -3.4465 -0.2092 -0.2092 -0.2033 -0.2033 -0.0817 -0.0817 -0.0816 -0.0816 0.7336 0.7336 0.7443 0.7443 1.9395 1.9395 1.9437 1.9437 2.7339 2.7339 2.7396 2.7396 3.6800 3.6800 3.6856 3.6856 4.1504 4.1504 4.1506 4.1506 5.2799 5.2799 5.2803 5.2803 11.9284 11.9284 11.9347 11.9347 12.2290 12.2290 12.2291 12.2291 13.5307 13.5307 k = 0.1121 0.1819 0.5382 ( 4244 PWs) bands (ev): -13.0696 -13.0696 -13.0695 -13.0695 -9.9809 -9.9809 -9.9799 -9.9799 -9.1772 -9.1772 -9.1754 -9.1754 -3.5046 -3.5046 -3.5036 -3.5036 -0.1734 -0.1734 -0.1674 -0.1674 -0.1056 -0.1056 -0.1055 -0.1055 0.7324 0.7324 0.7429 0.7429 1.9552 1.9552 1.9591 1.9591 2.7530 2.7530 2.7586 2.7586 3.6874 3.6874 3.6929 3.6929 4.1496 4.1496 4.1498 4.1498 5.3013 5.3013 5.3018 5.3018 11.8842 11.8842 11.8900 11.8900 12.2296 12.2296 12.2297 12.2297 13.4861 13.4861 k = 0.1035 0.1679 0.5382 ( 4240 PWs) bands (ev): -13.0734 -13.0734 -13.0733 -13.0733 -9.9952 -9.9952 -9.9943 -9.9943 -9.1401 -9.1401 -9.1385 -9.1385 -3.5589 -3.5589 -3.5580 -3.5580 -0.1417 -0.1417 -0.1352 -0.1352 -0.1276 -0.1276 -0.1270 -0.1270 0.7322 0.7322 0.7423 0.7423 1.9702 1.9702 1.9738 1.9738 2.7706 2.7706 2.7761 2.7761 3.6959 3.6959 3.7014 3.7014 4.1491 4.1491 4.1493 4.1493 5.3211 5.3211 5.3216 5.3216 11.8423 11.8423 11.8477 11.8477 12.2317 12.2317 12.2319 12.2319 13.4431 13.4431 k = 0.0949 0.1539 0.5382 ( 4246 PWs) bands (ev): -13.0770 -13.0770 -13.0769 -13.0769 -10.0084 -10.0084 -10.0075 -10.0075 -9.1050 -9.1050 -9.1034 -9.1034 -3.6102 -3.6102 -3.6094 -3.6094 -0.1492 -0.1492 -0.1489 -0.1489 -0.1112 -0.1112 -0.1058 -0.1058 0.7328 0.7328 0.7424 0.7424 1.9844 1.9844 1.9877 1.9877 2.7866 2.7866 2.7918 2.7918 3.7054 3.7054 3.7107 3.7107 4.1489 4.1489 4.1490 4.1490 5.3393 5.3393 5.3398 5.3398 11.8030 11.8030 11.8080 11.8080 12.2351 12.2351 12.2353 12.2353 13.4027 13.4027 k = 0.0863 0.1399 0.5382 ( 4230 PWs) bands (ev): -13.0803 -13.0803 -13.0802 -13.0802 -10.0204 -10.0204 -10.0197 -10.0197 -9.0719 -9.0719 -9.0704 -9.0704 -3.6583 -3.6583 -3.6574 -3.6574 -0.1681 -0.1681 -0.1680 -0.1680 -0.0853 -0.0853 -0.0800 -0.0800 0.7341 0.7341 0.7432 0.7432 1.9977 1.9977 2.0007 2.0007 2.8007 2.8007 2.8056 2.8056 3.7157 3.7157 3.7208 3.7208 4.1488 4.1488 4.1490 4.1490 5.3558 5.3558 5.3563 5.3563 11.7665 11.7665 11.7711 11.7711 12.2395 12.2395 12.2397 12.2397 13.3655 13.3655 k = 0.0776 0.1259 0.5382 ( 4222 PWs) bands (ev): -13.0834 -13.0834 -13.0833 -13.0833 -10.0313 -10.0313 -10.0306 -10.0306 -9.0412 -9.0412 -9.0398 -9.0398 -3.7027 -3.7027 -3.7019 -3.7019 -0.1855 -0.1855 -0.1854 -0.1854 -0.0625 -0.0625 -0.0574 -0.0574 0.7360 0.7360 0.7445 0.7445 2.0100 2.0100 2.0127 2.0127 2.8132 2.8132 2.8177 2.8177 3.7265 3.7265 3.7313 3.7313 4.1490 4.1490 4.1491 4.1491 5.3706 5.3706 5.3712 5.3712 11.7330 11.7330 11.7371 11.7371 12.2444 12.2444 12.2446 12.2446 13.3320 13.3321 k = 0.0690 0.1119 0.5382 ( 4230 PWs) bands (ev): -13.0862 -13.0862 -13.0861 -13.0861 -10.0411 -10.0411 -10.0405 -10.0405 -9.0130 -9.0130 -9.0118 -9.0118 -3.7433 -3.7433 -3.7426 -3.7426 -0.2012 -0.2012 -0.2011 -0.2011 -0.0425 -0.0425 -0.0378 -0.0378 0.7384 0.7384 0.7462 0.7462 2.0212 2.0212 2.0236 2.0236 2.8238 2.8238 2.8280 2.8280 3.7375 3.7375 3.7419 3.7419 4.1492 4.1492 4.1494 4.1494 5.3838 5.3838 5.3844 5.3844 11.7026 11.7026 11.7063 11.7063 12.2495 12.2495 12.2497 12.2497 13.3027 13.3027 k = 0.0604 0.0979 0.5382 ( 4230 PWs) bands (ev): -13.0886 -13.0886 -13.0886 -13.0886 -10.0497 -10.0497 -10.0491 -10.0491 -8.9876 -8.9876 -8.9865 -8.9865 -3.7798 -3.7798 -3.7791 -3.7791 -0.2151 -0.2151 -0.2151 -0.2151 -0.0253 -0.0253 -0.0210 -0.0210 0.7411 0.7411 0.7481 0.7481 2.0313 2.0313 2.0334 2.0334 2.8329 2.8329 2.8366 2.8366 3.7484 3.7484 3.7524 3.7524 4.1495 4.1495 4.1497 4.1497 5.3954 5.3954 5.3959 5.3959 11.6755 11.6755 11.6787 11.6787 12.2546 12.2546 12.2548 12.2548 13.2775 13.2775 k = 0.0518 0.0839 0.5382 ( 4238 PWs) bands (ev): -13.0908 -13.0908 -13.0907 -13.0907 -10.0571 -10.0571 -10.0567 -10.0567 -8.9651 -8.9651 -8.9641 -8.9641 -3.8120 -3.8120 -3.8114 -3.8114 -0.2272 -0.2272 -0.2272 -0.2272 -0.0108 -0.0108 -0.0070 -0.0070 0.7439 0.7439 0.7500 0.7500 2.0403 2.0403 2.0420 2.0420 2.8404 2.8404 2.8437 2.8437 3.7587 3.7587 3.7623 3.7623 4.1498 4.1498 4.1500 4.1500 5.4054 5.4054 5.4059 5.4059 11.6518 11.6518 11.6545 11.6545 12.2594 12.2594 12.2595 12.2595 13.2566 13.2566 k = 0.0431 0.0699 0.5382 ( 4234 PWs) bands (ev): -13.0927 -13.0927 -13.0926 -13.0926 -10.0634 -10.0634 -10.0630 -10.0630 -8.9457 -8.9457 -8.9449 -8.9449 -3.8396 -3.8396 -3.8390 -3.8390 -0.2375 -0.2375 -0.2375 -0.2375 0.0013 0.0013 0.0046 0.0046 0.7467 0.7467 0.7519 0.7519 2.0479 2.0479 2.0494 2.0494 2.8465 2.8465 2.8493 2.8493 3.7683 3.7683 3.7713 3.7713 4.1502 4.1502 4.1503 4.1503 5.4137 5.4137 5.4142 5.4142 11.6315 11.6315 11.6338 11.6338 12.2636 12.2636 12.2637 12.2637 13.2397 13.2398 k = 0.0345 0.0560 0.5382 ( 4226 PWs) bands (ev): -13.0942 -13.0942 -13.0941 -13.0941 -10.0686 -10.0686 -10.0683 -10.0683 -8.9296 -8.9296 -8.9289 -8.9289 -3.8624 -3.8624 -3.8620 -3.8620 -0.2460 -0.2460 -0.2460 -0.2460 0.0110 0.0110 0.0137 0.0137 0.7494 0.7494 0.7536 0.7536 2.0543 2.0543 2.0555 2.0555 2.8513 2.8513 2.8536 2.8536 3.7766 3.7766 3.7791 3.7791 4.1505 4.1505 4.1506 4.1506 5.4206 5.4206 5.4210 5.4210 11.6149 11.6149 11.6167 11.6167 12.2671 12.2671 12.2672 12.2672 13.2267 13.2267 k = 0.0259 0.0420 0.5382 ( 4222 PWs) bands (ev): -13.0954 -13.0954 -13.0953 -13.0953 -10.0726 -10.0726 -10.0724 -10.0724 -8.9168 -8.9168 -8.9164 -8.9164 -3.8803 -3.8803 -3.8800 -3.8800 -0.2526 -0.2526 -0.2526 -0.2526 0.0185 0.0185 0.0206 0.0206 0.7517 0.7517 0.7549 0.7549 2.0593 2.0593 2.0602 2.0602 2.8550 2.8550 2.8567 2.8567 3.7835 3.7835 3.7854 3.7854 4.1508 4.1508 4.1509 4.1509 5.4259 5.4259 5.4262 5.4262 11.6019 11.6019 11.6033 11.6033 12.2699 12.2699 12.2700 12.2700 13.2170 13.2170 k = 0.0173 0.0280 0.5382 ( 4222 PWs) bands (ev): -13.0962 -13.0962 -13.0962 -13.0962 -10.0754 -10.0754 -10.0753 -10.0753 -8.9077 -8.9077 -8.9073 -8.9073 -3.8932 -3.8932 -3.8930 -3.8930 -0.2573 -0.2573 -0.2573 -0.2573 0.0239 0.0239 0.0253 0.0253 0.7536 0.7536 0.7557 0.7557 2.0630 2.0630 2.0635 2.0635 2.8577 2.8577 2.8588 2.8588 3.7887 3.7887 3.7900 3.7900 4.1510 4.1510 4.1511 4.1511 5.4297 5.4297 5.4299 5.4299 11.5927 11.5927 11.5936 11.5936 12.2719 12.2719 12.2720 12.2720 13.2104 13.2104 k = 0.0086 0.0140 0.5382 ( 4222 PWs) bands (ev): -13.0967 -13.0967 -13.0967 -13.0967 -10.0771 -10.0771 -10.0770 -10.0770 -8.9021 -8.9021 -8.9019 -8.9019 -3.9010 -3.9010 -3.9009 -3.9009 -0.2602 -0.2602 -0.2602 -0.2602 0.0273 0.0273 0.0280 0.0280 0.7550 0.7550 0.7561 0.7561 2.0652 2.0652 2.0655 2.0655 2.8593 2.8593 2.8599 2.8599 3.7920 3.7920 3.7927 3.7927 4.1512 4.1512 4.1512 4.1512 5.4320 5.4320 5.4321 5.4321 11.5872 11.5872 11.5877 11.5877 12.2731 12.2731 12.2731 12.2731 13.2066 13.2066 k = 0.0000 0.0000 0.5382 ( 4228 PWs) bands (ev): -13.0969 -13.0969 -13.0969 -13.0969 -10.0777 -10.0777 -10.0777 -10.0777 -8.9002 -8.9002 -8.9002 -8.9002 -3.9035 -3.9035 -3.9035 -3.9035 -0.2611 -0.2611 -0.2611 -0.2611 0.0286 0.0286 0.0286 0.0286 0.7558 0.7558 0.7558 0.7558 2.0661 2.0661 2.0661 2.0661 2.8601 2.8601 2.8601 2.8601 3.7933 3.7933 3.7933 3.7933 4.1512 4.1512 4.1512 4.1512 5.4328 5.4328 5.4328 5.4328 11.5855 11.5855 11.5855 11.5855 12.2735 12.2735 12.2735 12.2735 13.2054 13.2054 k = 0.0000 0.0000 0.5382 ( 4228 PWs) bands (ev): -13.0969 -13.0969 -13.0969 -13.0969 -10.0777 -10.0777 -10.0777 -10.0777 -8.9002 -8.9002 -8.9002 -8.9002 -3.9035 -3.9035 -3.9035 -3.9035 -0.2611 -0.2611 -0.2611 -0.2611 0.0286 0.0286 0.0286 0.0286 0.7558 0.7558 0.7558 0.7558 2.0661 2.0661 2.0661 2.0661 2.8601 2.8601 2.8601 2.8601 3.7933 3.7933 3.7933 3.7933 4.1512 4.1512 4.1512 4.1512 5.4328 5.4328 5.4328 5.4328 11.5855 11.5855 11.5855 11.5855 12.2735 12.2735 12.2735 12.2735 13.2054 13.2054 k = 0.0000 0.0000 0.5219 ( 4218 PWs) bands (ev): -13.1127 -13.1127 -13.0813 -13.0813 -10.1174 -10.1174 -10.0367 -10.0367 -8.9092 -8.9092 -8.8916 -8.8916 -3.9062 -3.9062 -3.8982 -3.8982 -0.2860 -0.2860 -0.2359 -0.2359 -0.0743 -0.0743 0.1183 0.1183 0.7603 0.7603 0.7647 0.7647 2.0334 2.0334 2.0937 2.0937 2.8587 2.8587 2.8634 2.8634 3.7839 3.7839 3.8026 3.8026 4.1292 4.1292 4.1725 4.1725 5.4147 5.4147 5.4493 5.4493 11.5741 11.5741 11.6071 11.6071 12.2589 12.2589 12.2879 12.2879 13.1651 13.1651 k = 0.0000 0.0000 0.5056 ( 4214 PWs) bands (ev): -13.1286 -13.1286 -13.0659 -13.0659 -10.1560 -10.1560 -9.9947 -9.9947 -8.9188 -8.9188 -8.8837 -8.8837 -3.9060 -3.9060 -3.8901 -3.8901 -0.3105 -0.3105 -0.2108 -0.2108 -0.1858 -0.1858 0.1895 0.1895 0.7743 0.7743 0.7914 0.7914 1.9960 1.9960 2.1162 2.1162 2.8591 2.8591 2.8688 2.8688 3.7741 3.7741 3.8115 3.8115 4.1064 4.1064 4.1928 4.1928 5.3952 5.3952 5.4643 5.4643 11.5727 11.5727 11.6385 11.6385 12.2447 12.2447 12.3011 12.3011 13.1228 13.1228 k = 0.0000 0.0000 0.4893 ( 4224 PWs) bands (ev): -13.1446 -13.1446 -13.0508 -13.0508 -10.1933 -10.1933 -9.9516 -9.9516 -8.9288 -8.9288 -8.8763 -8.8763 -3.9030 -3.9030 -3.8794 -3.8794 -0.3345 -0.3345 -0.3038 -0.3038 -0.1847 -0.1847 0.2388 0.2388 0.7946 0.7946 0.8395 0.8395 1.9539 1.9539 2.1334 2.1334 2.8611 2.8611 2.8766 2.8766 3.7642 3.7642 3.8201 3.8201 4.0830 4.0830 4.2123 4.2123 5.3743 5.3743 5.4777 5.4777 11.5814 11.5814 11.6797 11.6797 12.2314 12.2314 12.3117 12.3117 13.0808 13.0808 k = 0.0000 0.0000 0.4730 ( 4216 PWs) bands (ev): -13.1607 -13.1607 -13.0360 -13.0360 -10.2294 -10.2294 -9.9075 -9.9075 -8.9392 -8.9392 -8.8694 -8.8694 -3.8972 -3.8972 -3.8662 -3.8662 -0.4247 -0.4247 -0.3578 -0.3578 -0.1592 -0.1592 0.2666 0.2666 0.8193 0.8193 0.9080 0.9080 1.9076 1.9076 2.1452 2.1452 2.8646 2.8646 2.8868 2.8868 3.7541 3.7541 3.8283 3.8283 4.0593 4.0593 4.2309 4.2309 5.3520 5.3520 5.4895 5.4895 11.6002 11.6002 11.7303 11.7303 12.2193 12.2193 12.3180 12.3180 13.0416 13.0416 k = 0.0000 0.0000 0.4567 ( 4218 PWs) bands (ev): -13.1768 -13.1768 -13.0215 -13.0215 -10.2642 -10.2642 -9.8624 -9.8624 -8.9500 -8.9500 -8.8632 -8.8632 -3.8886 -3.8886 -3.8506 -3.8506 -0.5477 -0.5477 -0.3805 -0.3805 -0.1336 -0.1336 0.2774 0.2774 0.8472 0.8472 0.9923 0.9923 1.8571 1.8571 2.1514 2.1514 2.8693 2.8693 2.8998 2.8998 3.7439 3.7439 3.8362 3.8362 4.0353 4.0353 4.2487 4.2487 5.3284 5.3284 5.4999 5.4999 11.6289 11.6289 11.7901 11.7901 12.2087 12.2087 12.3177 12.3177 13.0081 13.0081 k = 0.0000 0.0000 0.4403 ( 4222 PWs) bands (ev): -13.1928 -13.1928 -13.0073 -13.0073 -10.2976 -10.2976 -9.8166 -9.8166 -8.9610 -8.9610 -8.8576 -8.8576 -3.8772 -3.8772 -3.8326 -3.8326 -0.6716 -0.6716 -0.4024 -0.4024 -0.1083 -0.1083 0.2762 0.2762 0.8773 0.8773 1.0866 1.0866 1.8028 1.8028 2.1520 2.1520 2.8753 2.8753 2.9158 2.9158 3.7335 3.7335 3.8437 3.8437 4.0114 4.0114 4.2657 4.2657 5.3036 5.3036 5.5088 5.5088 11.6672 11.6672 11.8587 11.8587 12.1997 12.1997 12.3086 12.3086 12.9831 12.9831 k = 0.0000 0.0000 0.4240 ( 4226 PWs) bands (ev): -13.2088 -13.2088 -12.9935 -12.9935 -10.3298 -10.3298 -9.7699 -9.7699 -8.9724 -8.9724 -8.8526 -8.8526 -3.8631 -3.8631 -3.8125 -3.8125 -0.7958 -0.7958 -0.4234 -0.4234 -0.0831 -0.0831 0.2675 0.2675 0.9091 0.9091 1.1861 1.1861 1.7450 1.7450 2.1471 2.1471 2.8822 2.8822 2.9350 2.9350 3.7231 3.7231 3.8507 3.8507 3.9878 3.9878 4.2820 4.2820 5.2778 5.2778 5.5162 5.5162 11.7150 11.7150 11.9356 11.9356 12.1923 12.1923 12.2890 12.2890 12.9691 12.9691 k = 0.0000 0.0000 0.4077 ( 4228 PWs) bands (ev): -13.2247 -13.2247 -12.9801 -12.9801 -10.3607 -10.3607 -9.7226 -9.7226 -8.9839 -8.9839 -8.8481 -8.8481 -3.8463 -3.8463 -3.7903 -3.7903 -0.9195 -0.9195 -0.4435 -0.4435 -0.0584 -0.0584 0.2540 0.2540 0.9423 0.9423 1.2876 1.2876 1.6841 1.6841 2.1366 2.1366 2.8900 2.8900 2.9578 2.9578 3.7127 3.7127 3.8573 3.8573 3.9648 3.9648 4.2977 4.2977 5.2511 5.2511 5.5222 5.5222 11.7719 11.7719 12.0203 12.0203 12.1865 12.1865 12.2581 12.2581 12.9672 12.9672 k = 0.0000 0.0000 0.3914 ( 4238 PWs) bands (ev): -13.2404 -13.2404 -12.9671 -12.9671 -10.3902 -10.3902 -9.6748 -9.6748 -8.9956 -8.9956 -8.8443 -8.8443 -3.8270 -3.8270 -3.7663 -3.7663 -1.0423 -1.0423 -0.4625 -0.4625 -0.0341 -0.0341 0.2376 0.2376 0.9764 0.9764 1.3886 1.3886 1.6203 1.6203 2.1206 2.1206 2.8985 2.8985 2.9842 2.9842 3.7022 3.7022 3.8633 3.8633 3.9426 3.9426 4.3129 4.3129 5.2235 5.2235 5.5270 5.5270 11.8374 11.8374 12.1124 12.1124 12.1822 12.1822 12.2166 12.2166 12.9770 12.9770 k = 0.0000 0.0000 0.3751 ( 4246 PWs) bands (ev): -13.2559 -13.2559 -12.9546 -12.9546 -10.4184 -10.4184 -9.6265 -9.6265 -9.0074 -9.0074 -8.8410 -8.8410 -3.8052 -3.8052 -3.7406 -3.7406 -1.1637 -1.1637 -0.4804 -0.4804 -0.0103 -0.0103 0.2195 0.2195 1.0114 1.0114 1.4874 1.4874 1.5540 1.5540 2.0993 2.0993 2.9076 2.9076 3.0148 3.0148 3.6919 3.6919 3.8688 3.8688 3.9215 3.9215 4.3276 4.3276 5.1953 5.1953 5.5305 5.5305 11.9113 11.9113 12.1658 12.1658 12.1793 12.1793 12.2114 12.2114 12.9974 12.9974 k = 0.0000 0.0000 0.3588 ( 4252 PWs) bands (ev): -13.2711 -13.2711 -12.9425 -12.9425 -10.4453 -10.4453 -9.5780 -9.5780 -9.0192 -9.0192 -8.8382 -8.8382 -3.7810 -3.7810 -3.7134 -3.7134 -1.2833 -1.2833 -0.4971 -0.4971 0.0127 0.0127 0.2005 0.2005 1.0468 1.0468 1.4856 1.4856 1.5827 1.5827 2.0730 2.0730 2.9171 2.9171 3.0495 3.0495 3.6816 3.6816 3.8734 3.8734 3.9020 3.9020 4.3419 4.3419 5.1665 5.1665 5.5329 5.5329 11.9930 11.9930 12.1081 12.1081 12.1780 12.1780 12.3160 12.3160 13.0266 13.0266 k = 0.0000 0.0000 0.3425 ( 4252 PWs) bands (ev): -13.2861 -13.2861 -12.9309 -12.9309 -10.4709 -10.4709 -9.5293 -9.5293 -9.0310 -9.0310 -8.8360 -8.8360 -3.7546 -3.7546 -3.6849 -3.6849 -1.4008 -1.4008 -0.5125 -0.5125 0.0350 0.0350 0.1810 0.1810 1.0827 1.0827 1.4156 1.4156 1.6734 1.6734 2.0418 2.0418 2.9269 2.9269 3.0887 3.0887 3.6714 3.6714 3.8742 3.8742 3.8873 3.8873 4.3560 4.3560 5.1374 5.1374 5.5344 5.5344 12.0448 12.0448 12.0823 12.0823 12.1778 12.1778 12.4257 12.4257 13.0629 13.0629 k = 0.0000 0.0000 0.3262 ( 4254 PWs) bands (ev): -13.3007 -13.3007 -12.9198 -12.9198 -10.4952 -10.4952 -9.4806 -9.4806 -9.0427 -9.0427 -8.8342 -8.8342 -3.7262 -3.7262 -3.6553 -3.6553 -1.5159 -1.5159 -0.5266 -0.5266 0.0564 0.0564 0.1616 0.1616 1.1187 1.1187 1.3444 1.3444 1.7588 1.7588 2.0062 2.0062 2.9368 2.9368 3.1322 3.1322 3.6615 3.6615 3.8621 3.8621 3.8864 3.8864 4.3698 4.3698 5.1081 5.1081 5.5349 5.5349 11.9780 11.9780 12.1776 12.1776 12.1793 12.1793 12.5390 12.5390 13.1049 13.1049 k = 0.0000 0.0000 0.3099 ( 4252 PWs) bands (ev): -13.3149 -13.3149 -12.9091 -12.9091 -10.5182 -10.5182 -9.4322 -9.4322 -9.0542 -9.0542 -8.8329 -8.8329 -3.6959 -3.6959 -3.6248 -3.6248 -1.6282 -1.6282 -0.5394 -0.5394 0.0767 0.0767 0.1424 0.1424 1.1547 1.1547 1.2724 1.2724 1.8383 1.8383 1.9666 1.9666 2.9467 2.9467 3.1801 3.1801 3.6518 3.6518 3.8470 3.8470 3.8896 3.8896 4.3833 4.3833 5.0787 5.0787 5.5348 5.5348 11.9087 11.9087 12.1805 12.1805 12.2804 12.2804 12.6535 12.6535 13.1511 13.1511 k = 0.0000 0.0000 0.2936 ( 4248 PWs) bands (ev): -13.3286 -13.3286 -12.8990 -12.8990 -10.5399 -10.5399 -9.3841 -9.3841 -9.0656 -9.0656 -8.8320 -8.8320 -3.6641 -3.6641 -3.5937 -3.5937 -1.7375 -1.7375 -0.5507 -0.5507 0.0958 0.0958 0.1237 0.1237 1.1900 1.1900 1.2009 1.2009 1.9115 1.9115 1.9236 1.9236 2.9564 2.9564 3.2320 3.2320 3.6424 3.6424 3.8328 3.8328 3.8930 3.8930 4.3967 4.3967 5.0496 5.0496 5.5340 5.5340 11.8380 11.8380 12.1832 12.1832 12.3885 12.3885 12.7641 12.7641 13.2005 13.2005 k = 0.0000 0.0000 0.2773 ( 4248 PWs) bands (ev): -13.3419 -13.3419 -12.8894 -12.8894 -10.5603 -10.5603 -9.3366 -9.3366 -9.0766 -9.0766 -8.8314 -8.8314 -3.6308 -3.6308 -3.5622 -3.5622 -1.8433 -1.8433 -0.5605 -0.5605 0.1047 0.1047 0.1144 0.1144 1.1281 1.1281 1.2265 1.2265 1.8773 1.8773 1.9786 1.9786 2.9658 2.9658 3.2873 3.2873 3.6334 3.6334 3.8198 3.8198 3.8963 3.8963 4.4098 4.4098 5.0207 5.0207 5.5327 5.5327 11.7669 11.7669 12.1864 12.1864 12.5017 12.5017 12.8579 12.8579 13.2320 13.2320 k = 0.0000 0.0000 0.2609 ( 4248 PWs) bands (ev): -13.3547 -13.3547 -12.8803 -12.8803 -10.5795 -10.5795 -9.2899 -9.2899 -9.0874 -9.0874 -8.8312 -8.8312 -3.5964 -3.5964 -3.5305 -3.5305 -1.9454 -1.9454 -0.5688 -0.5688 0.0876 0.0876 0.1304 0.1304 1.0570 1.0570 1.2617 1.2617 1.8287 1.8287 2.0394 2.0394 2.9747 2.9747 3.3453 3.3453 3.6251 3.6251 3.8083 3.8083 3.8993 3.8993 4.4227 4.4227 4.9924 4.9924 5.5311 5.5311 11.6959 11.6959 12.1900 12.1900 12.6195 12.6195 12.9058 12.9058 13.2216 13.2216 k = 0.0000 0.0000 0.2446 ( 4242 PWs) bands (ev): -13.3669 -13.3669 -12.8718 -12.8718 -10.5974 -10.5974 -9.2442 -9.2442 -9.0977 -9.0977 -8.8312 -8.8312 -3.5611 -3.5611 -3.4990 -3.4990 -2.0435 -2.0435 -0.5757 -0.5757 0.0709 0.0709 0.1451 0.1451 0.9873 0.9873 1.2964 1.2964 1.7782 1.7782 2.0941 2.0941 2.9831 2.9831 3.4049 3.4049 3.6179 3.6179 3.7980 3.7980 3.9021 3.9021 4.4353 4.4353 4.9648 4.9648 5.5292 5.5292 11.6258 11.6258 12.1939 12.1939 12.7412 12.7412 12.8893 12.8893 13.2126 13.2126 k = 0.0000 0.0000 0.2283 ( 4242 PWs) bands (ev): -13.3785 -13.3785 -12.8638 -12.8638 -10.6141 -10.6141 -9.1997 -9.1997 -9.1077 -9.1077 -8.8315 -8.8315 -3.5254 -3.5254 -3.4678 -3.4678 -2.1372 -2.1372 -0.5811 -0.5811 0.0550 0.0550 0.1579 0.1579 0.9197 0.9197 1.3302 1.3302 1.7266 1.7266 2.1430 2.1430 2.9908 2.9908 3.4641 3.4641 3.6126 3.6126 3.7890 3.7890 3.9046 3.9046 4.4477 4.4477 4.9380 4.9380 5.5273 5.5273 11.5571 11.5571 12.1980 12.1980 12.8353 12.8353 12.8665 12.8665 13.2053 13.2053 k = 0.0000 0.0000 0.2120 ( 4254 PWs) bands (ev): -13.3894 -13.3894 -12.8563 -12.8563 -10.6296 -10.6296 -9.1568 -9.1568 -9.1171 -9.1171 -8.8320 -8.8320 -3.4894 -3.4894 -3.4373 -3.4373 -2.2263 -2.2263 -0.5850 -0.5850 0.0399 0.0399 0.1685 0.1685 0.8550 0.8550 1.3631 1.3631 1.6743 1.6743 2.1867 2.1867 2.9977 2.9977 3.5185 3.5185 3.6130 3.6130 3.7811 3.7811 3.9070 3.9070 4.4596 4.4596 4.9122 4.9122 5.5254 5.5254 11.4903 11.4903 12.2020 12.2020 12.7700 12.7700 12.9938 12.9938 13.1999 13.1999 k = 0.0000 0.0000 0.1957 ( 4258 PWs) bands (ev): -13.3997 -13.3997 -12.8494 -12.8494 -10.6439 -10.6439 -9.1264 -9.1264 -9.1152 -9.1152 -8.8326 -8.8326 -3.4536 -3.4536 -3.4077 -3.4077 -2.3105 -2.3105 -0.5876 -0.5876 0.0259 0.0259 0.1766 0.1766 0.7939 0.7939 1.3948 1.3948 1.6222 1.6222 2.2255 2.2255 3.0039 3.0039 3.5544 3.5544 3.6317 3.6317 3.7743 3.7743 3.9092 3.9092 4.4712 4.4712 4.8876 4.8876 5.5237 5.5237 11.4260 11.4260 12.2059 12.2059 12.7023 12.7023 13.1231 13.1231 13.1964 13.1964 k = 0.0000 0.0000 0.1794 ( 4262 PWs) bands (ev): -13.4093 -13.4093 -12.8431 -12.8431 -10.6569 -10.6569 -9.1346 -9.1346 -9.0763 -9.0763 -8.8333 -8.8333 -3.4183 -3.4183 -3.3792 -3.3792 -2.3894 -2.3894 -0.5889 -0.5889 0.0128 0.0128 0.1818 0.1818 0.7372 0.7372 1.4251 1.4251 1.5708 1.5708 2.2599 2.2599 3.0092 3.0092 3.5636 3.5636 3.6759 3.6759 3.7686 3.7686 3.9113 3.9113 4.4822 4.4822 4.8644 4.8644 5.5222 5.5222 11.3646 11.3646 12.2096 12.2096 12.6364 12.6364 13.1948 13.1948 13.2535 13.2535 k = 0.0000 0.0000 0.1631 ( 4266 PWs) bands (ev): -13.4182 -13.4182 -12.8373 -12.8373 -10.6688 -10.6688 -9.1424 -9.1424 -9.0393 -9.0393 -8.8342 -8.8342 -3.3840 -3.3840 -3.3522 -3.3522 -2.4627 -2.4627 -0.5890 -0.5890 0.0008 0.0008 0.1839 0.1839 0.6858 0.6858 1.4539 1.4539 1.5208 1.5208 2.2902 2.2902 3.0137 3.0137 3.5623 3.5623 3.7281 3.7281 3.7644 3.7644 3.9133 3.9133 4.4927 4.4927 4.8426 4.8426 5.5211 5.5211 11.3065 11.3065 12.2130 12.2130 12.5740 12.5740 13.1951 13.1951 13.3840 13.3840 k = 0.0000 0.0000 0.1468 ( 4270 PWs) bands (ev): -13.4263 -13.4263 -12.8320 -12.8320 -10.6796 -10.6796 -9.1496 -9.1496 -9.0049 -9.0049 -8.8350 -8.8350 -3.3511 -3.3511 -3.3269 -3.3269 -2.5302 -2.5302 -0.5881 -0.5881 -0.0102 -0.0102 0.1825 0.1825 0.6405 0.6405 1.4728 1.4728 1.4810 1.4810 2.3168 2.3168 3.0173 3.0173 3.5583 3.5583 3.7568 3.7568 3.7843 3.7843 3.9152 3.9152 4.5025 4.5025 4.8225 4.8225 5.5202 5.5202 11.2522 11.2522 12.2161 12.2161 12.5162 12.5162 13.1971 13.1971 13.5136 13.5136 k = 0.0000 0.0000 0.1305 ( 4256 PWs) bands (ev): -13.4336 -13.4336 -12.8273 -12.8273 -10.6891 -10.6891 -9.1561 -9.1561 -8.9733 -8.9733 -8.8359 -8.8359 -3.3201 -3.3201 -3.3035 -3.3035 -2.5915 -2.5915 -0.5863 -0.5863 -0.0201 -0.0201 0.1775 0.1775 0.6018 0.6018 1.4277 1.4277 1.5058 1.5058 2.3400 2.3400 3.0202 3.0202 3.5538 3.5538 3.7545 3.7545 3.8330 3.8330 3.9172 3.9172 4.5116 4.5116 4.8041 4.8041 5.5198 5.5198 11.2022 11.2022 12.2188 12.2188 12.4634 12.4634 13.2004 13.2004 13.6412 13.6412 k = 0.0000 0.0000 0.1142 ( 4256 PWs) bands (ev): -13.4401 -13.4401 -12.8231 -12.8231 -10.6975 -10.6975 -9.1619 -9.1619 -8.9447 -8.9447 -8.8367 -8.8367 -3.2913 -3.2913 -3.2823 -3.2823 -2.6463 -2.6463 -0.5840 -0.5840 -0.0288 -0.0288 0.1692 0.1692 0.5701 0.5701 1.3860 1.3860 1.5284 1.5284 2.3600 2.3600 3.0223 3.0223 3.5494 3.5494 3.7517 3.7517 3.8780 3.8780 3.9196 3.9196 4.5198 4.5198 4.7876 4.7876 5.5196 5.5196 11.1569 11.1569 12.2211 12.2211 12.4161 12.4161 13.2049 13.2049 13.7473 13.7473 k = 0.0000 0.0000 0.0979 ( 4264 PWs) bands (ev): -13.4458 -13.4458 -12.8195 -12.8195 -10.7048 -10.7048 -9.1670 -9.1670 -8.9194 -8.9194 -8.8375 -8.8375 -3.2653 -3.2653 -3.2633 -3.2633 -2.6944 -2.6944 -0.5812 -0.5812 -0.0364 -0.0364 0.1583 0.1583 0.5451 0.5451 1.3483 1.3483 1.5486 1.5486 2.3770 2.3770 3.0239 3.0239 3.5453 3.5453 3.7493 3.7493 3.9122 3.9122 3.9279 3.9279 4.5271 4.5271 4.7730 4.7730 5.5198 5.5198 11.1167 11.1167 12.2231 12.2231 12.3746 12.3746 13.2102 13.2102 13.7799 13.7799 k = 0.0000 0.0000 0.0815 ( 4266 PWs) bands (ev): -13.4507 -13.4507 -12.8165 -12.8165 -10.7109 -10.7109 -9.1713 -9.1713 -8.8975 -8.8975 -8.8382 -8.8382 -3.2473 -3.2473 -3.2422 -3.2422 -2.7356 -2.7356 -0.5783 -0.5783 -0.0429 -0.0429 0.1460 0.1460 0.5261 0.5261 1.3152 1.3152 1.5662 1.5662 2.3912 2.3912 3.0249 3.0249 3.5416 3.5416 3.7474 3.7474 3.9192 3.9192 3.9578 3.9578 4.5335 4.5335 4.7605 4.7605 5.5202 5.5202 11.0820 11.0820 12.2247 12.2247 12.3391 12.3391 13.2158 13.2158 13.8072 13.8072 k = 0.0000 0.0000 0.0652 ( 4265 PWs) bands (ev): -13.4546 -13.4546 -12.8140 -12.8140 -10.7160 -10.7160 -9.1749 -9.1749 -8.8794 -8.8794 -8.8388 -8.8388 -3.2337 -3.2337 -3.2229 -3.2229 -2.7696 -2.7696 -0.5756 -0.5756 -0.0482 -0.0482 0.1334 0.1334 0.5124 0.5124 1.2873 1.2873 1.5808 1.5808 2.4027 2.4027 3.0255 3.0255 3.5386 3.5386 3.7458 3.7458 3.9211 3.9211 3.9868 3.9868 4.5387 4.5387 4.7502 4.7502 5.5207 5.5207 11.0531 11.0531 12.2260 12.2260 12.3099 12.3099 13.2213 13.2213 13.8293 13.8293 k = 0.0000 0.0000 0.0489 ( 4261 PWs) bands (ev): -13.4578 -13.4578 -12.8121 -12.8121 -10.7199 -10.7199 -9.1777 -9.1777 -8.8651 -8.8651 -8.8393 -8.8393 -3.2229 -3.2229 -3.2074 -3.2074 -2.7962 -2.7962 -0.5731 -0.5731 -0.0524 -0.0524 0.1221 0.1221 0.5028 0.5028 1.2650 1.2650 1.5924 1.5924 2.4115 2.4115 3.0259 3.0259 3.5361 3.5361 3.7447 3.7447 3.9223 3.9223 4.0099 4.0099 4.5429 4.5429 4.7421 4.7421 5.5212 5.5212 11.0303 11.0303 12.2270 12.2270 12.2870 12.2870 13.2262 13.2262 13.8464 13.8464 k = 0.0000 0.0000 0.0326 ( 4259 PWs) bands (ev): -13.4600 -13.4600 -12.8107 -12.8107 -10.7226 -10.7226 -9.1797 -9.1797 -8.8548 -8.8548 -8.8396 -8.8396 -3.2152 -3.2152 -3.1961 -3.1961 -2.8154 -2.8154 -0.5712 -0.5712 -0.0554 -0.0554 0.1131 0.1131 0.4967 0.4967 1.2488 1.2488 1.6007 1.6007 2.4178 2.4178 3.0261 3.0261 3.5344 3.5344 3.7439 3.7439 3.9231 3.9231 4.0267 4.0267 4.5459 4.5459 4.7363 4.7363 5.5216 5.5216 11.0138 11.0138 12.2277 12.2277 12.2705 12.2705 13.2300 13.2300 13.8584 13.8584 k = 0.0000 0.0000 0.0163 ( 4263 PWs) bands (ev): -13.4613 -13.4613 -12.8098 -12.8098 -10.7243 -10.7243 -9.1809 -9.1809 -8.8487 -8.8487 -8.8397 -8.8397 -3.2106 -3.2106 -3.1893 -3.1893 -2.8269 -2.8269 -0.5700 -0.5700 -0.0571 -0.0571 0.1073 0.1073 0.4932 0.4932 1.2389 1.2389 1.6058 1.6058 2.4215 2.4215 3.0262 3.0262 3.5333 3.5333 3.7434 3.7434 3.9235 3.9235 4.0368 4.0368 4.5477 4.5477 4.7328 4.7328 5.5219 5.5219 11.0039 11.0039 12.2281 12.2281 12.2607 12.2607 13.2325 13.2325 13.8655 13.8655 k = 0.0000 0.0000 0.0000 ( 4271 PWs) bands (ev): -13.4618 -13.4618 -12.8096 -12.8096 -10.7249 -10.7249 -9.1813 -9.1813 -8.8467 -8.8467 -8.8396 -8.8396 -3.2090 -3.2090 -3.1870 -3.1870 -2.8307 -2.8307 -0.5695 -0.5695 -0.0577 -0.0577 0.1054 0.1054 0.4921 0.4921 1.2356 1.2356 1.6075 1.6075 2.4228 2.4228 3.0262 3.0262 3.5330 3.5330 3.7432 3.7432 3.9237 3.9237 4.0402 4.0402 4.5484 4.5484 4.7316 4.7316 5.5220 5.5220 11.0005 11.0005 12.2282 12.2282 12.2574 12.2574 13.2334 13.2334 13.8679 13.8679 k = 0.0000 0.0000 0.0000 ( 4271 PWs) bands (ev): -13.4618 -13.4618 -12.8096 -12.8096 -10.7249 -10.7249 -9.1813 -9.1813 -8.8467 -8.8467 -8.8396 -8.8396 -3.2090 -3.2090 -3.1870 -3.1870 -2.8307 -2.8307 -0.5695 -0.5695 -0.0577 -0.0577 0.1054 0.1054 0.4921 0.4921 1.2356 1.2356 1.6075 1.6075 2.4228 2.4228 3.0262 3.0262 3.5330 3.5330 3.7432 3.7432 3.9237 3.9237 4.0402 4.0402 4.5484 4.5484 4.7316 4.7316 5.5220 5.5220 11.0005 11.0005 12.2282 12.2282 12.2574 12.2574 13.2334 13.2334 13.8679 13.8679 k =-0.0139 0.0086 0.0000 ( 4267 PWs) bands (ev): -13.4612 -13.4612 -12.8096 -12.8096 -10.7264 -10.7264 -9.1812 -9.1811 -8.8524 -8.8496 -8.8369 -8.8339 -3.2068 -3.2065 -3.1888 -3.1887 -2.8279 -2.8277 -0.5703 -0.5700 -0.0563 -0.0562 0.1042 0.1043 0.4904 0.4907 1.2346 1.2348 1.6088 1.6088 2.4238 2.4239 3.0255 3.0255 3.5318 3.5324 3.7402 3.7408 3.9232 3.9233 4.0396 4.0397 4.5473 4.5476 4.7336 4.7337 5.5214 5.5214 11.0039 11.0039 12.1957 12.1967 12.2898 12.2898 13.2336 13.2338 13.8660 13.8664 k =-0.0278 0.0171 0.0000 ( 4267 PWs) bands (ev): -13.4594 -13.4593 -12.8097 -12.8096 -10.7312 -10.7311 -9.1805 -9.1804 -8.8591 -8.8562 -8.8303 -8.8271 -3.1999 -3.1994 -3.1940 -3.1937 -2.8195 -2.8189 -0.5723 -0.5717 -0.0519 -0.0517 0.1008 0.1009 0.4856 0.4861 1.2318 1.2320 1.6127 1.6128 2.4271 2.4273 3.0236 3.0236 3.5287 3.5300 3.7318 3.7331 3.9219 3.9219 4.0380 4.0382 4.5446 4.5452 4.7395 4.7398 5.5193 5.5194 11.0139 11.0139 12.1532 12.1547 12.3332 12.3337 13.2344 13.2347 13.8608 13.8618 k =-0.0417 0.0257 0.0000 ( 4259 PWs) bands (ev): -13.4563 -13.4563 -12.8097 -12.8096 -10.7390 -10.7390 -9.1795 -9.1793 -8.8659 -8.8630 -8.8235 -8.8202 -3.2021 -3.2019 -3.1881 -3.1875 -2.8059 -2.8051 -0.5755 -0.5745 -0.0445 -0.0443 0.0953 0.0954 0.4777 0.4784 1.2271 1.2274 1.6192 1.6193 2.4325 2.4328 3.0204 3.0205 3.5236 3.5254 3.7185 3.7203 3.9197 3.9197 4.0353 4.0356 4.5408 4.5416 4.7489 4.7492 5.5160 5.5160 11.0305 11.0306 12.1112 12.1132 12.3772 12.3782 13.2356 13.2361 13.8528 13.8542 k =-0.0556 0.0343 0.0000 ( 4251 PWs) bands (ev): -13.4521 -13.4521 -12.8098 -12.8097 -10.7499 -10.7498 -9.1781 -9.1778 -8.8726 -8.8698 -8.8168 -8.8133 -3.2124 -3.2120 -3.1719 -3.1711 -2.7878 -2.7868 -0.5798 -0.5785 -0.0344 -0.0341 0.0875 0.0876 0.4668 0.4678 1.2206 1.2210 1.6282 1.6283 2.4400 2.4405 3.0160 3.0161 3.5158 3.5184 3.7008 3.7033 3.9165 3.9166 4.0317 4.0320 4.5365 4.5374 4.7610 4.7613 5.5114 5.5114 11.0536 11.0536 12.0706 12.0731 12.4208 12.4223 13.2373 13.2379 13.8423 13.8440 k =-0.0694 0.0428 0.0000 ( 4249 PWs) bands (ev): -13.4467 -13.4466 -12.8100 -12.8098 -10.7637 -10.7637 -9.1764 -9.1760 -8.8792 -8.8764 -8.8102 -8.8067 -3.2241 -3.2236 -3.1511 -3.1501 -2.7661 -2.7647 -0.5852 -0.5836 -0.0214 -0.0211 0.0776 0.0777 0.4530 0.4542 1.2122 1.2128 1.6397 1.6399 2.4495 2.4501 3.0105 3.0106 3.5046 3.5079 3.6798 3.6828 3.9124 3.9125 4.0270 4.0273 4.5322 4.5332 4.7751 4.7754 5.5055 5.5056 11.0829 11.0830 12.0320 12.0349 12.4637 12.4657 13.2393 13.2400 13.8298 13.8318 k =-0.0833 0.0514 0.0000 ( 4241 PWs) bands (ev): -13.4401 -13.4400 -12.8101 -12.8099 -10.7803 -10.7803 -9.1743 -9.1739 -8.8855 -8.8828 -8.8038 -8.8002 -3.2368 -3.2361 -3.1259 -3.1246 -2.7412 -2.7397 -0.5915 -0.5896 -0.0057 -0.0054 0.0656 0.0657 0.4365 0.4380 1.2021 1.2028 1.6537 1.6538 2.4608 2.4615 3.0039 3.0040 3.4889 3.4929 3.6569 3.6605 3.9073 3.9074 4.0213 4.0217 4.5283 4.5294 4.7907 4.7909 5.4985 5.4985 11.1182 11.1183 11.9956 11.9990 12.5057 12.5081 13.2414 13.2422 13.8157 13.8180 k =-0.0972 0.0600 0.0000 ( 4246 PWs) bands (ev): -13.4324 -13.4323 -12.8103 -12.8100 -10.7997 -10.7996 -9.1720 -9.1715 -8.8916 -8.8890 -8.7977 -8.7940 -3.2497 -3.2490 -3.0962 -3.0947 -2.7139 -2.7121 -0.5986 -0.5964 0.0125 0.0129 0.0516 0.0517 0.4175 0.4191 1.1903 1.1910 1.6699 1.6701 2.4739 2.4747 2.9962 2.9964 3.4673 3.4718 3.6338 3.6378 3.9011 3.9012 4.0147 4.0150 4.5253 4.5263 4.8072 4.8073 5.4903 5.4904 11.1593 11.1594 11.9620 11.9658 12.5465 12.5492 13.2434 13.2444 13.8006 13.8030 k =-0.1111 0.0685 0.0000 ( 4250 PWs) bands (ev): -13.4235 -13.4234 -12.8105 -12.8102 -10.8215 -10.8214 -9.1694 -9.1689 -8.8974 -8.8949 -8.7918 -8.7881 -3.2626 -3.2618 -3.0623 -3.0606 -2.6846 -2.6825 -0.6065 -0.6040 0.0332 0.0334 0.0356 0.0359 0.3961 0.3979 1.1767 1.1775 1.6885 1.6886 2.4885 2.4894 2.9876 2.9879 3.4386 3.4433 3.6124 3.6163 3.8940 3.8941 4.0072 4.0075 4.5232 4.5241 4.8242 4.8243 5.4811 5.4812 11.2057 11.2059 11.9314 11.9356 12.5860 12.5891 13.2454 13.2464 13.7847 13.7872 k =-0.1250 0.0771 0.0000 ( 4248 PWs) bands (ev): -13.4135 -13.4134 -12.8107 -12.8103 -10.8457 -10.8456 -9.1667 -9.1662 -8.9029 -8.9004 -8.7863 -8.7825 -3.2751 -3.2742 -3.0243 -3.0224 -2.6535 -2.6512 -0.6150 -0.6123 0.0177 0.0178 0.0563 0.0567 0.3726 0.3745 1.1614 1.1624 1.7091 1.7093 2.5044 2.5055 2.9782 2.9785 3.4024 3.4069 3.5934 3.5970 3.8857 3.8859 3.9989 3.9991 4.5222 4.5230 4.8413 4.8415 5.4710 5.4711 11.2573 11.2575 11.9042 11.9086 12.6241 12.6273 13.2471 13.2481 13.7684 13.7711 k =-0.1389 0.0857 0.0000 ( 4240 PWs) bands (ev): -13.4025 -13.4024 -12.8109 -12.8105 -10.8720 -10.8720 -9.1639 -9.1633 -8.9081 -8.9057 -8.7811 -8.7772 -3.2870 -3.2860 -2.9823 -2.9802 -2.6211 -2.6186 -0.6241 -0.6211 -0.0020 -0.0018 0.0816 0.0821 0.3471 0.3491 1.1445 1.1455 1.7319 1.7320 2.5215 2.5227 2.9680 2.9684 3.3590 3.3632 3.5768 3.5798 3.8765 3.8766 3.9898 3.9899 4.5222 4.5230 4.8583 4.8586 5.4600 5.4602 11.3135 11.3138 11.8805 11.8852 12.6605 12.6640 13.2485 13.2496 13.7521 13.7548 k =-0.1528 0.0942 0.0000 ( 4246 PWs) bands (ev): -13.3904 -13.3903 -12.8111 -12.8107 -10.9004 -10.9003 -9.1610 -9.1604 -8.9129 -8.9105 -8.7763 -8.7724 -3.2981 -3.2971 -2.9365 -2.9341 -2.5876 -2.5848 -0.6336 -0.6303 -0.0234 -0.0230 0.1090 0.1095 0.3199 0.3220 1.1259 1.1269 1.7566 1.7567 2.5394 2.5407 2.9572 2.9576 3.3096 3.3134 3.5617 3.5641 3.8661 3.8662 3.9800 3.9800 4.5233 4.5240 4.8749 4.8754 5.4484 5.4485 11.3741 11.3744 11.8605 11.8656 12.6951 12.6988 13.2495 13.2507 13.7358 13.7386 k =-0.1667 0.1028 0.0000 ( 4236 PWs) bands (ev): -13.3774 -13.3772 -12.8114 -12.8110 -10.9305 -10.9304 -9.1581 -9.1574 -8.9173 -8.9150 -8.7720 -8.7680 -3.3083 -3.3072 -2.8870 -2.8845 -2.5532 -2.5502 -0.6435 -0.6399 -0.0464 -0.0458 0.1385 0.1390 0.2913 0.2933 1.1056 1.1067 1.7831 1.7832 2.5580 2.5594 2.9458 2.9463 3.2553 3.2588 3.5474 3.5492 3.8548 3.8549 3.9695 3.9696 4.5253 4.5259 4.8911 4.8916 5.4361 5.4363 11.4386 11.4390 11.8446 11.8499 12.7279 12.7317 13.2503 13.2515 13.7199 13.7226 k =-0.1806 0.1113 0.0000 ( 4236 PWs) bands (ev): -13.3633 -13.3632 -12.8116 -12.8112 -10.9621 -10.9621 -9.1552 -9.1545 -8.9213 -8.9190 -8.7680 -8.7640 -3.3175 -3.3164 -2.8341 -2.8314 -2.5181 -2.5149 -0.6536 -0.6498 -0.0708 -0.0699 0.1698 0.1703 0.2614 0.2634 1.0836 1.0847 1.8113 1.8114 2.5767 2.5783 2.9340 2.9346 3.1976 3.2007 3.5332 3.5343 3.8425 3.8426 3.9585 3.9588 4.5281 4.5285 4.9065 4.9072 5.4234 5.4236 11.5067 11.5071 11.8327 11.8382 12.7586 12.7624 13.2509 13.2521 13.7043 13.7071 k =-0.1944 0.1199 0.0000 ( 4232 PWs) bands (ev): -13.3485 -13.3483 -12.8119 -12.8115 -10.9951 -10.9951 -9.1523 -9.1517 -8.9248 -8.9226 -8.7645 -8.7605 -3.3257 -3.3245 -2.7779 -2.7750 -2.4825 -2.4791 -0.6640 -0.6598 -0.0965 -0.0952 0.2026 0.2033 0.2306 0.2324 1.0598 1.0610 1.8411 1.8411 2.5952 2.5969 2.9218 2.9225 3.1375 3.1404 3.5185 3.5191 3.8292 3.8293 3.9472 3.9477 4.5315 4.5318 4.9213 4.9221 5.4104 5.4105 11.5779 11.5783 11.8251 11.8307 12.7869 12.7908 13.2515 13.2527 13.6893 13.6921 k =-0.2083 0.1285 0.0000 ( 4232 PWs) bands (ev): -13.3328 -13.3326 -12.8122 -12.8117 -11.0293 -11.0292 -9.1496 -9.1489 -8.9280 -8.9258 -8.7615 -8.7575 -3.3327 -3.3315 -2.7188 -2.7156 -2.4466 -2.4429 -0.6744 -0.6700 -0.1232 -0.1217 0.1982 0.2003 0.2378 0.2381 1.0343 1.0355 1.8724 1.8724 2.6127 2.6146 2.9093 2.9101 3.0763 3.0790 3.5031 3.5032 3.8150 3.8151 3.9358 3.9364 4.5354 4.5356 4.9351 4.9361 5.3971 5.3973 11.6518 11.6523 11.8216 11.8275 12.8126 12.8164 13.2525 13.2536 13.6749 13.6776 k =-0.2222 0.1370 0.0000 ( 4228 PWs) bands (ev): -13.3163 -13.3162 -12.8125 -12.8120 -11.0643 -11.0643 -9.1469 -9.1462 -8.9307 -8.9285 -8.7590 -8.7550 -3.3387 -3.3374 -2.6569 -2.6535 -2.4105 -2.4066 -0.6848 -0.6801 -0.1509 -0.1489 0.1660 0.1677 0.2738 0.2742 1.0069 1.0082 1.9049 1.9050 2.6283 2.6303 2.8966 2.8975 3.0157 3.0183 3.4863 3.4868 3.7999 3.8000 3.9243 3.9251 4.5396 4.5397 4.9481 4.9492 5.3838 5.3840 11.7280 11.7286 11.8224 11.8284 12.8353 12.8390 13.2541 13.2552 13.6612 13.6638 k =-0.2361 0.1456 0.0000 ( 4220 PWs) bands (ev): -13.2992 -13.2990 -12.8128 -12.8123 -11.1001 -11.1000 -9.1444 -9.1437 -8.9329 -8.9308 -8.7569 -8.7529 -3.3435 -3.3422 -2.5924 -2.5889 -2.3743 -2.3702 -0.6952 -0.6903 -0.1792 -0.1769 0.1331 0.1347 0.3111 0.3115 0.9777 0.9791 1.9387 1.9388 2.6402 2.6424 2.8839 2.8849 2.9579 2.9603 3.4683 3.4692 3.7840 3.7841 3.9130 3.9139 4.5440 4.5440 4.9603 4.9614 5.3705 5.3707 11.8062 11.8069 11.8275 11.8335 12.8546 12.8581 13.2567 13.2578 13.6481 13.6506 k =-0.2500 0.1542 0.0000 ( 4226 PWs) bands (ev): -13.2814 -13.2813 -12.8131 -12.8126 -11.1363 -11.1362 -9.1420 -9.1413 -8.9348 -8.9327 -8.7553 -8.7514 -3.3473 -3.3460 -2.5257 -2.5220 -2.3383 -2.3340 -0.7054 -0.7002 -0.2081 -0.2053 0.1001 0.1014 0.3495 0.3499 0.9466 0.9480 1.9735 1.9737 2.6454 2.6476 2.8710 2.8722 2.9064 2.9086 3.4492 3.4505 3.7673 3.7675 3.9019 3.9029 4.5482 4.5483 4.9715 4.9726 5.3574 5.3576 11.8366 11.8427 11.8859 11.8867 12.8700 12.8732 13.2609 13.2618 13.6356 13.6380 k =-0.2639 0.1627 0.0000 ( 4222 PWs) bands (ev): -13.2632 -13.2631 -12.8133 -12.8129 -11.1727 -11.1727 -9.1398 -9.1391 -8.9362 -8.9341 -8.7542 -8.7503 -3.3501 -3.3488 -2.4571 -2.4532 -2.3026 -2.2981 -0.7155 -0.7100 -0.2372 -0.2340 0.0669 0.0679 0.3888 0.3892 0.9135 0.9150 2.0091 2.0094 2.6390 2.6410 2.8582 2.8595 2.8668 2.8684 3.4289 3.4306 3.7500 3.7502 3.8913 3.8924 4.5523 4.5525 4.9818 4.9830 5.3445 5.3448 11.8498 11.8559 11.9668 11.9676 12.8811 12.8840 13.2669 13.2677 13.6238 13.6261 k =-0.2778 0.1713 0.0000 ( 4220 PWs) bands (ev): -13.2446 -13.2445 -12.8136 -12.8132 -11.2091 -11.2091 -9.1377 -9.1371 -8.9371 -8.9351 -8.7535 -8.7496 -3.3519 -3.3507 -2.3869 -2.3828 -2.2673 -2.2627 -0.7252 -0.7195 -0.2663 -0.2626 0.0340 0.0346 0.4286 0.4290 0.8785 0.8801 2.0455 2.0459 2.6166 2.6180 2.8434 2.8445 2.8458 2.8469 3.4076 3.4097 3.7321 3.7323 3.8811 3.8823 4.5561 4.5564 4.9913 4.9926 5.3321 5.3323 11.8668 11.8730 12.0485 12.0493 12.8876 12.8902 13.2751 13.2757 13.6127 13.6148 k =-0.2917 0.1799 0.0000 ( 4218 PWs) bands (ev): -13.2258 -13.2256 -12.8139 -12.8135 -11.2453 -11.2453 -9.1358 -9.1352 -8.9377 -8.9358 -8.7532 -8.7495 -3.3528 -3.3516 -2.3155 -2.3112 -2.2326 -2.2279 -0.7347 -0.7287 -0.2951 -0.2910 0.0013 0.0016 0.4687 0.4691 0.8417 0.8433 2.0824 2.0829 2.5791 2.5800 2.8329 2.8341 2.8362 2.8365 3.3855 3.3879 3.7137 3.7139 3.8715 3.8728 4.5597 4.5599 5.0000 5.0013 5.3201 5.3203 11.8876 11.8937 12.1305 12.1314 12.8893 12.8915 13.2854 13.2860 13.6022 13.6042 k =-0.3056 0.1884 0.0000 ( 4214 PWs) bands (ev): -13.2068 -13.2066 -12.8142 -12.8138 -11.2811 -11.2811 -9.1340 -9.1335 -8.9379 -8.9360 -8.7534 -8.7497 -3.3530 -3.3518 -2.2432 -2.2387 -2.1987 -2.1939 -0.7437 -0.7374 -0.3234 -0.3189 -0.0309 -0.0309 0.5087 0.5091 0.8032 0.8049 2.1197 2.1203 2.5323 2.5328 2.8204 2.8218 2.8383 2.8388 3.3629 3.3656 3.6948 3.6951 3.8625 3.8639 4.5628 4.5631 5.0079 5.0092 5.3086 5.3088 11.9118 11.9179 12.2124 12.2134 12.8863 12.8881 13.2979 13.2983 13.5923 13.5941 k =-0.3194 0.1970 0.0000 ( 4208 PWs) bands (ev): -13.1878 -13.1876 -12.8145 -12.8141 -11.3161 -11.3160 -9.1324 -9.1319 -8.9378 -8.9359 -8.7538 -8.7503 -3.3524 -3.3513 -2.1706 -2.1668 -2.1648 -2.1609 -0.7523 -0.7458 -0.3510 -0.3460 -0.0628 -0.0624 0.5480 0.5482 0.7636 0.7653 2.1571 2.1578 2.4817 2.4818 2.8080 2.8096 2.8452 2.8462 3.3401 3.3431 3.6757 3.6760 3.8543 3.8556 4.5654 4.5658 5.0151 5.0164 5.2977 5.2980 11.9393 11.9453 12.2939 12.2950 12.8787 12.8801 13.3122 13.3125 13.5830 13.5847 k =-0.3333 0.2056 0.0000 ( 4208 PWs) bands (ev): -13.1690 -13.1688 -12.8147 -12.8143 -11.3501 -11.3500 -9.1310 -9.1305 -8.9373 -8.9355 -8.7546 -8.7512 -3.3512 -3.3502 -2.1341 -2.1292 -2.0980 -2.0931 -0.7603 -0.7536 -0.3774 -0.3721 -0.0937 -0.0931 0.5849 0.5851 0.7241 0.7259 2.1944 2.1952 2.4305 2.4305 2.7958 2.7975 2.8540 2.8554 3.3176 3.3207 3.6564 3.6568 3.8467 3.8481 4.5676 4.5680 5.0217 5.0229 5.2876 5.2878 11.9698 11.9756 12.3745 12.3756 12.8669 12.8679 13.3279 13.3281 13.5743 13.5758 k =-0.3472 0.2141 0.0000 ( 4208 PWs) bands (ev): -13.1505 -13.1504 -12.8150 -12.8146 -11.3828 -11.3828 -9.1297 -9.1293 -8.9365 -8.9348 -8.7557 -8.7524 -3.3495 -3.3486 -2.1037 -2.0989 -2.0261 -2.0210 -0.7678 -0.7608 -0.4026 -0.3970 -0.1237 -0.1227 0.6132 0.6135 0.6912 0.6929 2.2314 2.2324 2.3805 2.3806 2.7836 2.7855 2.8628 2.8645 3.2958 3.2992 3.6372 3.6376 3.8398 3.8411 4.5693 4.5697 5.0276 5.0288 5.2781 5.2783 12.0030 12.0087 12.4536 12.4549 12.8511 12.8517 13.3446 13.3447 13.5663 13.5676 k =-0.3611 0.2227 0.0000 ( 4210 PWs) bands (ev): -13.1326 -13.1325 -12.8152 -12.8149 -11.4140 -11.4140 -9.1286 -9.1282 -8.9356 -8.9339 -8.7570 -8.7539 -3.3475 -3.3466 -2.0749 -2.0702 -1.9554 -1.9502 -0.7746 -0.7675 -0.4262 -0.4204 -0.1523 -0.1510 0.6075 0.6087 0.6900 0.6910 2.2679 2.2690 2.3330 2.3332 2.7716 2.7735 2.8706 2.8725 3.2754 3.2788 3.6182 3.6186 3.8335 3.8349 4.5706 4.5709 5.0329 5.0341 5.2694 5.2696 12.0386 12.0441 12.5309 12.5322 12.8317 12.8319 13.3618 13.3619 13.5589 13.5601 k =-0.3750 0.2313 0.0000 ( 4202 PWs) bands (ev): -13.1155 -13.1154 -12.8154 -12.8151 -11.4435 -11.4434 -9.1276 -9.1272 -8.9344 -8.9328 -8.7584 -8.7555 -3.3452 -3.3443 -2.0479 -2.0433 -1.8868 -1.8815 -0.7807 -0.7735 -0.4480 -0.4421 -0.1793 -0.1778 0.5716 0.5732 0.7172 0.7178 2.2889 2.2890 2.3037 2.3048 2.7597 2.7617 2.8768 2.8788 3.2567 3.2602 3.5997 3.6001 3.8280 3.8293 4.5714 4.5718 5.0377 5.0388 5.2614 5.2616 12.0762 12.0816 12.6057 12.6071 12.8089 12.8090 13.3790 13.3790 13.5522 13.5533 k =-0.3889 0.2398 0.0000 ( 4202 PWs) bands (ev): -13.0993 -13.0992 -12.8156 -12.8153 -11.4708 -11.4708 -9.1267 -9.1264 -8.9331 -8.9316 -8.7600 -8.7573 -3.3427 -3.3419 -2.0229 -2.0186 -1.8209 -1.8157 -0.7861 -0.7789 -0.4679 -0.4620 -0.2046 -0.2029 0.5294 0.5311 0.7489 0.7494 2.2485 2.2487 2.3382 2.3395 2.7478 2.7499 2.8810 2.8830 3.2404 3.2438 3.5819 3.5823 3.8231 3.8243 4.5719 4.5723 5.0420 5.0429 5.2543 5.2545 12.1156 12.1207 12.6773 12.6787 12.7829 12.7834 13.3958 13.3958 13.5463 13.5472 k =-0.4028 0.2484 0.0000 ( 4204 PWs) bands (ev): -13.0843 -13.0842 -12.8158 -12.8155 -11.4958 -11.4957 -9.1260 -9.1257 -8.9317 -8.9304 -8.7615 -8.7591 -3.3402 -3.3395 -2.0001 -1.9961 -1.7588 -1.7537 -0.7907 -0.7835 -0.4856 -0.4799 -0.2278 -0.2260 0.4867 0.4884 0.7799 0.7803 2.2122 2.2124 2.3714 2.3728 2.7359 2.7381 2.8831 2.8851 3.2266 3.2298 3.5652 3.5655 3.8188 3.8199 4.5722 4.5725 5.0457 5.0465 5.2480 5.2481 12.1562 12.1612 12.7449 12.7464 12.7544 12.7553 13.4117 13.4118 13.5413 13.5421 k =-0.4167 0.2570 0.0000 ( 4208 PWs) bands (ev): -13.0707 -13.0706 -12.8159 -12.8157 -11.5181 -11.5181 -9.1253 -9.1251 -8.9304 -8.9292 -8.7630 -8.7609 -3.3377 -3.3371 -1.9798 -1.9762 -1.7015 -1.6965 -0.7944 -0.7876 -0.5010 -0.4956 -0.2486 -0.2468 0.4456 0.4472 0.8085 0.8088 2.1803 2.1805 2.4027 2.4042 2.7241 2.7263 2.8833 2.8852 3.2154 3.2184 3.5497 3.5500 3.8152 3.8161 4.5722 4.5725 5.0489 5.0497 5.2425 5.2426 12.1978 12.2025 12.7236 12.7246 12.8080 12.8093 13.4264 13.4265 13.5373 13.5378 k =-0.4306 0.2655 0.0000 ( 4212 PWs) bands (ev): -13.0587 -13.0586 -12.8161 -12.8159 -11.5376 -11.5375 -9.1248 -9.1246 -8.9290 -8.9280 -8.7644 -8.7626 -3.3354 -3.3350 -1.9621 -1.9590 -1.6499 -1.6454 -0.7972 -0.7909 -0.5139 -0.5091 -0.2669 -0.2651 0.4075 0.4090 0.8340 0.8342 2.1531 2.1532 2.4318 2.4334 2.7124 2.7146 2.8819 2.8836 3.2069 3.2095 3.5358 3.5362 3.8121 3.8129 4.5720 4.5723 5.0517 5.0523 5.2379 5.2380 12.2397 12.2441 12.6910 12.6923 12.8649 12.8662 13.4396 13.4397 13.5343 13.5347 k =-0.4444 0.2741 0.0000 ( 4210 PWs) bands (ev): -13.0485 -13.0485 -12.8162 -12.8160 -11.5539 -11.5539 -9.1244 -9.1242 -8.9278 -8.9270 -8.7656 -8.7641 -3.3334 -3.3331 -1.9473 -1.9447 -1.6054 -1.6014 -0.7993 -0.7937 -0.5245 -0.5203 -0.2822 -0.2806 0.3738 0.3751 0.8557 0.8559 2.1305 2.1306 2.4581 2.4597 2.7011 2.7031 2.8797 2.8811 3.2007 3.2028 3.5240 3.5243 3.8096 3.8103 4.5718 4.5720 5.0539 5.0544 5.2341 5.2342 12.2814 12.2854 12.6572 12.6588 12.9147 12.9159 13.4508 13.4509 13.5323 13.5326 k =-0.4583 0.2826 0.0000 ( 4208 PWs) bands (ev): -13.0404 -13.0404 -12.8162 -12.8161 -11.5668 -11.5668 -9.1241 -9.1239 -8.9268 -8.9261 -8.7666 -8.7654 -3.3318 -3.3315 -1.9355 -1.9334 -1.5691 -1.5658 -0.8005 -0.7960 -0.5325 -0.5292 -0.2944 -0.2931 0.3458 0.3469 0.8732 0.8733 2.1129 2.1130 2.4809 2.4823 2.6906 2.6924 2.8771 2.8781 3.1964 3.1981 3.5144 3.5146 3.8077 3.8082 4.5716 4.5718 5.0557 5.0560 5.2311 5.2312 12.3216 12.3252 12.6232 12.6250 12.9558 12.9568 13.4599 13.4600 13.5313 13.5315 k =-0.4722 0.2912 0.0000 ( 4196 PWs) bands (ev): -13.0345 -13.0345 -12.8163 -12.8162 -11.5762 -11.5762 -9.1238 -9.1237 -8.9260 -8.9255 -8.7673 -8.7665 -3.3305 -3.3303 -1.9268 -1.9254 -1.5420 -1.5397 -0.8010 -0.7978 -0.5380 -0.5358 -0.3032 -0.3022 0.3248 0.3256 0.8860 0.8861 2.1002 2.1003 2.4990 2.5001 2.6816 2.6830 2.8748 2.8755 3.1938 3.1949 3.5073 3.5074 3.8064 3.8068 4.5714 4.5715 5.0570 5.0572 5.2290 5.2291 12.3585 12.3615 12.5911 12.5928 12.9867 12.9874 13.4666 13.4667 13.5310 13.5311 k =-0.4861 0.2998 0.0000 ( 4192 PWs) bands (ev): -13.0309 -13.0309 -12.8163 -12.8163 -11.5819 -11.5819 -9.1237 -9.1236 -8.9254 -8.9252 -8.7676 -8.7672 -3.3298 -3.3297 -1.9214 -1.9207 -1.5251 -1.5239 -0.8008 -0.7992 -0.5411 -0.5399 -0.3084 -0.3079 0.3119 0.3123 0.8938 0.8939 2.0926 2.0926 2.5111 2.5117 2.6755 2.6763 2.8732 2.8736 3.1925 3.1931 3.5030 3.5031 3.8057 3.8058 4.5713 4.5714 5.0577 5.0579 5.2278 5.2278 12.3877 12.3896 12.5654 12.5666 13.0060 13.0064 13.4707 13.4707 13.5311 13.5311 k =-0.5000 0.3083 0.0000 ( 4202 PWs) bands (ev): -13.0297 -13.0297 -12.8163 -12.8163 -11.5838 -11.5838 -9.1236 -9.1236 -8.9252 -8.9252 -8.7676 -8.7676 -3.3295 -3.3295 -1.9194 -1.9194 -1.5190 -1.5190 -0.8002 -0.8002 -0.5417 -0.5417 -0.3100 -0.3100 0.3076 0.3076 0.8965 0.8965 2.0900 2.0900 2.5155 2.5155 2.6736 2.6736 2.8728 2.8728 3.1923 3.1923 3.5015 3.5015 3.8055 3.8055 4.5713 4.5713 5.0580 5.0580 5.2273 5.2273 12.4004 12.4004 12.5551 12.5551 13.0127 13.0127 13.4721 13.4721 13.5311 13.5311 k =-0.5000 0.3083 0.0000 ( 4202 PWs) bands (ev): -13.0297 -13.0297 -12.8163 -12.8163 -11.5838 -11.5838 -9.1236 -9.1236 -8.9252 -8.9252 -8.7676 -8.7676 -3.3295 -3.3295 -1.9194 -1.9194 -1.5190 -1.5190 -0.8002 -0.8002 -0.5417 -0.5417 -0.3100 -0.3100 0.3076 0.3076 0.8965 0.8965 2.0900 2.0900 2.5155 2.5155 2.6736 2.6736 2.8728 2.8728 3.1923 3.1923 3.5015 3.5015 3.8055 3.8055 4.5713 4.5713 5.0580 5.0580 5.2273 5.2273 12.4004 12.4004 12.5551 12.5551 13.0127 13.0127 13.4721 13.4721 13.5311 13.5311 k =-0.4914 0.3223-0.0000 ( 4198 PWs) bands (ev): -13.0299 -13.0299 -12.8164 -12.8164 -11.5828 -11.5828 -9.1294 -9.1283 -8.9248 -8.9244 -8.7646 -8.7630 -3.3290 -3.3289 -1.9207 -1.9203 -1.5138 -1.5133 -0.8012 -0.8012 -0.5438 -0.5434 -0.3194 -0.3169 0.3136 0.3163 0.8970 0.8972 2.0903 2.0906 2.5136 2.5144 2.6721 2.6746 2.8725 2.8751 3.1907 3.1916 3.5024 3.5028 3.8051 3.8054 4.5723 4.5727 5.0551 5.0558 5.2260 5.2268 12.3999 12.4000 12.5560 12.5560 13.0168 13.0171 13.4314 13.4469 13.5608 13.5757 k =-0.4828 0.3363-0.0000 ( 4194 PWs) bands (ev): -13.0304 -13.0304 -12.8166 -12.8166 -11.5799 -11.5799 -9.1450 -9.1429 -8.9232 -8.9225 -8.7547 -8.7517 -3.3276 -3.3274 -1.9240 -1.9232 -1.4982 -1.4973 -0.8043 -0.8043 -0.5495 -0.5488 -0.3438 -0.3392 0.3333 0.3384 0.8987 0.8992 2.0915 2.0920 2.5085 2.5101 2.6701 2.6749 2.8743 2.8794 3.1868 3.1886 3.5052 3.5061 3.8043 3.8049 4.5756 4.5766 5.0470 5.0484 5.2227 5.2243 12.3985 12.3989 12.5586 12.5586 13.0288 13.0294 13.3831 13.4003 13.6208 13.6367 k =-0.4742 0.3502-0.0000 ( 4206 PWs) bands (ev): -13.0313 -13.0313 -12.8170 -12.8170 -11.5750 -11.5750 -9.1686 -9.1658 -8.9205 -8.9195 -8.7395 -8.7353 -3.3251 -3.3249 -1.9283 -1.9271 -1.4731 -1.4718 -0.8094 -0.8094 -0.5588 -0.5578 -0.3805 -0.3742 0.3641 0.3710 0.9015 0.9023 2.0936 2.0942 2.5002 2.5026 2.6677 2.6746 2.8783 2.8855 3.1806 3.1834 3.5101 3.5115 3.8030 3.8039 4.5813 4.5828 5.0340 5.0360 5.2176 5.2198 12.3966 12.3972 12.5629 12.5629 13.0469 13.0482 13.3399 13.3580 13.6865 13.7024 k =-0.4656 0.3642-0.0000 ( 4222 PWs) bands (ev): -13.0326 -13.0325 -12.8176 -12.8176 -11.5681 -11.5681 -9.1984 -9.1952 -8.9167 -8.9154 -8.7207 -8.7156 -3.3218 -3.3214 -1.9326 -1.9311 -1.4397 -1.4379 -0.8166 -0.8166 -0.5716 -0.5702 -0.4263 -0.4189 0.4029 0.4111 0.9053 0.9064 2.0966 2.0974 2.4887 2.4919 2.6651 2.6737 2.8844 2.8934 3.1723 3.1760 3.5170 3.5188 3.8012 3.8025 4.5893 4.5913 5.0164 5.0189 5.2104 5.2132 12.3946 12.3956 12.5688 12.5689 13.0677 13.0698 13.3061 13.3250 13.7556 13.7714 k =-0.4570 0.3781-0.0000 ( 4226 PWs) bands (ev): -13.0342 -13.0342 -12.8183 -12.8183 -11.5594 -11.5594 -9.2328 -9.2294 -8.9118 -8.9102 -8.7001 -8.6943 -3.3175 -3.3171 -1.9358 -1.9339 -1.3990 -1.3968 -0.8258 -0.8258 -0.5876 -0.5858 -0.4786 -0.4705 0.4469 0.4562 0.9098 0.9112 2.1005 2.1015 2.4741 2.4780 2.6623 2.6723 2.8925 2.9029 3.1620 3.1665 3.5258 3.5281 3.7991 3.8007 4.5996 4.6020 4.9944 4.9973 5.2014 5.2045 12.3930 12.3944 12.5764 12.5765 13.0849 13.0876 13.2881 13.3073 13.8212 13.8227 k =-0.4484 0.3921-0.0000 ( 4214 PWs) bands (ev): -13.0362 -13.0362 -12.8191 -12.8191 -11.5486 -11.5486 -9.2706 -9.2671 -8.9058 -8.9038 -8.6787 -8.6723 -3.3123 -3.3118 -1.9372 -1.9349 -1.3523 -1.3496 -0.8370 -0.8370 -0.6066 -0.6044 -0.5354 -0.5268 0.4943 0.5042 0.9149 0.9165 2.1055 2.1067 2.4562 2.4608 2.6595 2.6703 2.9026 2.9140 3.1497 3.1551 3.5364 3.5394 3.7966 3.7986 4.6121 4.6150 4.9685 4.9717 5.1903 5.1938 12.3920 12.3940 12.5856 12.5857 13.0912 13.0931 13.2939 13.3119 13.8021 13.8035 k =-0.4398 0.4060-0.0000 ( 4210 PWs) bands (ev): -13.0387 -13.0386 -12.8200 -12.8200 -11.5360 -11.5360 -9.3109 -9.3074 -8.8986 -8.8964 -8.6575 -8.6507 -3.3064 -3.3058 -1.9359 -1.9333 -1.3002 -1.2971 -0.8503 -0.8503 -0.6284 -0.6256 -0.5950 -0.5864 0.5434 0.5538 0.9202 0.9220 2.1116 2.1129 2.4349 2.4403 2.6567 2.6681 2.9147 2.9266 3.1356 3.1419 3.5489 3.5525 3.7939 3.7962 4.6267 4.6300 4.9390 4.9423 5.1774 5.1811 12.3918 12.3946 12.5962 12.5964 13.0845 13.0848 13.3247 13.3404 13.7766 13.7783 k =-0.4311 0.4200-0.0000 ( 4210 PWs) bands (ev): -13.0415 -13.0414 -12.8210 -12.8209 -11.5214 -11.5214 -9.3532 -9.3496 -8.8905 -8.8879 -8.6370 -8.6298 -3.2996 -3.2989 -1.9317 -1.9287 -1.2438 -1.2402 -0.8657 -0.8656 -0.6592 -0.6498 -0.6492 -0.6478 0.5932 0.6040 0.9254 0.9274 2.1188 2.1203 2.4104 2.4164 2.6541 2.6656 2.9284 2.9406 3.1198 3.1269 3.5631 3.5674 3.7908 3.7936 4.6433 4.6470 4.9063 4.9097 5.1626 5.1664 12.3925 12.3962 12.6083 12.6084 13.0693 13.0703 13.3733 13.3870 13.7451 13.7469 k =-0.4225 0.4340-0.0000 ( 4214 PWs) bands (ev): -13.0448 -13.0447 -12.8220 -12.8220 -11.5049 -11.5049 -9.3967 -9.3933 -8.8813 -8.8784 -8.6178 -8.6103 -3.2922 -3.2915 -1.9241 -1.9208 -1.1838 -1.1797 -0.8830 -0.8829 -0.7199 -0.7103 -0.6775 -0.6748 0.6431 0.6541 0.9302 0.9324 2.1272 2.1289 2.3824 2.3891 2.6517 2.6632 2.9438 2.9559 3.1027 3.1105 3.5789 3.5840 3.7875 3.7909 4.6618 4.6658 4.8707 4.8741 5.1461 5.1500 12.3939 12.3986 12.6216 12.6218 13.0530 13.0545 13.4331 13.4454 13.7082 13.7101 k =-0.4139 0.4479-0.0000 ( 4214 PWs) bands (ev): -13.0486 -13.0485 -12.8231 -12.8230 -11.4865 -11.4865 -9.4413 -9.4380 -8.8711 -8.8679 -8.6000 -8.5922 -3.2842 -3.2834 -1.9129 -1.9093 -1.1215 -1.1168 -0.9022 -0.9021 -0.7815 -0.7723 -0.7055 -0.7023 0.6924 0.7036 0.9344 0.9368 2.1370 2.1388 2.3511 2.3583 2.6497 2.6607 2.9606 2.9723 3.0842 3.0928 3.5962 3.6022 3.7842 3.7882 4.6820 4.6864 4.8327 4.8361 5.1281 5.1320 12.3959 12.4016 12.6361 12.6362 13.0393 13.0408 13.5006 13.5119 13.6667 13.6686 k =-0.4053 0.4619-0.0000 ( 4222 PWs) bands (ev): -13.0529 -13.0528 -12.8241 -12.8241 -11.4662 -11.4662 -9.4866 -9.4834 -8.8600 -8.8565 -8.5839 -8.5759 -3.2758 -3.2748 -1.8982 -1.8943 -1.0603 -1.0544 -0.9232 -0.9231 -0.8393 -0.8307 -0.7348 -0.7313 0.7408 0.7521 0.9375 0.9401 2.1482 2.1500 2.3163 2.3241 2.6480 2.6586 2.9786 2.9899 3.0647 3.0740 3.6148 3.6219 3.7808 3.7856 4.7038 4.7086 4.7926 4.7959 5.1087 5.1125 12.3979 12.4048 12.6515 12.6517 13.0302 13.0313 13.5734 13.5841 13.6216 13.6235 k =-0.3967 0.4758-0.0000 ( 4230 PWs) bands (ev): -13.0576 -13.0575 -12.8252 -12.8252 -11.4440 -11.4440 -9.5324 -9.5293 -8.8479 -8.8441 -8.5696 -8.5614 -3.2669 -3.2659 -1.8799 -1.8758 -1.0138 -1.0054 -0.9457 -0.9457 -0.8792 -0.8725 -0.7655 -0.7616 0.7881 0.7994 0.9395 0.9421 2.1608 2.1627 2.2782 2.2864 2.6469 2.6567 2.9978 3.0083 3.0444 3.0542 3.6345 3.6430 3.7776 3.7835 4.7270 4.7322 4.7507 4.7542 5.0881 5.0919 12.3997 12.4077 12.6679 12.6681 13.0268 13.0272 13.5732 13.5750 13.6509 13.6609 k =-0.3881 0.4898-0.0000 ( 4229 PWs) bands (ev): -13.0629 -13.0628 -12.8262 -12.8262 -11.4199 -11.4199 -9.5783 -9.5754 -8.8349 -8.8308 -8.5572 -8.5488 -3.2578 -3.2568 -1.8583 -1.8539 -1.0217 -1.0110 -0.9700 -0.9698 -0.8612 -0.8567 -0.7973 -0.7931 0.8340 0.8454 0.9399 0.9427 2.1749 2.1769 2.2366 2.2453 2.6464 2.6553 3.0170 3.0242 3.0275 3.0338 3.6548 3.6650 3.7749 3.7822 4.7075 4.7105 4.7520 4.7572 5.0664 5.0701 12.4008 12.4099 12.6848 12.6850 13.0294 13.0299 13.5226 13.5245 13.7313 13.7409 k =-0.3795 0.5037-0.0000 ( 4229 PWs) bands (ev): -13.0687 -13.0686 -12.8272 -12.8271 -11.3940 -11.3939 -9.6244 -9.6216 -8.8211 -8.8168 -8.5468 -8.5383 -3.2486 -3.2475 -1.8336 -1.8290 -1.0701 -1.0594 -0.9957 -0.9951 -0.8304 -0.8257 -0.7990 -0.7945 0.8785 0.8898 0.9386 0.9415 2.1900 2.1918 2.1926 2.2014 2.6465 2.6545 3.0014 3.0124 3.0391 3.0477 3.6750 3.6876 3.7732 3.7825 4.6633 4.6661 4.7778 4.7834 5.0440 5.0476 12.4010 12.4111 12.7022 12.7025 13.0385 13.0398 13.4701 13.4720 13.8144 13.8237 k =-0.3709 0.5177-0.0000 ( 4223 PWs) bands (ev): -13.0750 -13.0749 -12.8280 -12.8280 -11.3663 -11.3662 -9.6703 -9.6676 -8.8066 -8.8019 -8.5383 -8.5297 -3.2395 -3.2384 -1.8063 -1.8016 -1.1272 -1.1166 -1.0221 -1.0214 -0.8641 -0.8592 -0.7250 -0.7200 0.9212 0.9315 0.9366 0.9386 2.1439 2.1530 2.2081 2.2098 2.6473 2.6543 2.9794 2.9908 3.0605 3.0681 3.6939 3.7094 3.7739 3.7856 4.6182 4.6210 4.8046 4.8106 5.0210 5.0244 12.4000 12.4110 12.7199 12.7201 13.0547 13.0567 13.4161 13.4179 13.8995 13.9086 k =-0.3623 0.5317-0.0000 ( 4229 PWs) bands (ev): -13.0819 -13.0817 -12.8288 -12.8288 -11.3367 -11.3366 -9.7159 -9.7134 -8.7913 -8.7863 -8.5318 -8.5230 -3.2307 -3.2294 -1.7772 -1.7724 -1.1848 -1.1742 -1.0492 -1.0482 -0.8987 -0.8936 -0.6461 -0.6406 0.9298 0.9326 0.9634 0.9745 2.0930 2.1023 2.2269 2.2287 2.6490 2.6549 2.9570 2.9688 3.0823 3.0889 3.7096 3.7271 3.7802 3.7935 4.5728 4.5753 4.8324 4.8386 4.9975 5.0008 12.3980 12.4097 12.7374 12.7377 13.0779 13.0806 13.3609 13.3626 13.9860 13.9949 k =-0.3537 0.5456-0.0000 ( 4237 PWs) bands (ev): -13.0893 -13.0891 -12.8295 -12.8295 -11.3053 -11.3052 -9.7612 -9.7588 -8.7753 -8.7701 -8.5272 -8.5183 -3.2222 -3.2209 -1.7475 -1.7427 -1.2400 -1.2294 -1.0766 -1.0755 -0.9342 -0.9289 -0.5644 -0.5585 0.9222 0.9252 1.0034 1.0145 2.0392 2.0487 2.2475 2.2492 2.6514 2.6563 2.9344 2.9464 3.1043 3.1098 3.7203 3.7369 3.7960 3.8079 4.5271 4.5295 4.8609 4.8673 4.9738 4.9770 12.3950 12.4072 12.7546 12.7549 13.1080 13.1112 13.3047 13.3062 14.0734 14.0797 k =-0.3451 0.5596-0.0000 ( 4235 PWs) bands (ev): -13.0972 -13.0971 -12.8300 -12.8300 -11.2721 -11.2720 -9.8060 -9.8037 -8.7588 -8.7533 -8.5244 -8.5155 -3.2144 -3.2131 -1.7194 -1.7147 -1.2902 -1.2795 -1.1041 -1.1028 -0.9705 -0.9648 -0.4807 -0.4744 0.9123 0.9153 1.0422 1.0533 1.9829 1.9924 2.2697 2.2713 2.6548 2.6586 2.9116 2.9238 3.1263 3.1307 3.7263 3.7401 3.8199 3.8287 4.4814 4.4837 4.8900 4.8965 4.9501 4.9531 12.3913 12.4037 12.7710 12.7714 13.1445 13.1482 13.2479 13.2492 14.0757 14.0761 k =-0.3451 0.5596-0.0000 ( 4235 PWs) bands (ev): -13.0972 -13.0971 -12.8300 -12.8300 -11.2721 -11.2720 -9.8060 -9.8037 -8.7588 -8.7533 -8.5244 -8.5155 -3.2144 -3.2131 -1.7194 -1.7147 -1.2902 -1.2795 -1.1041 -1.1028 -0.9705 -0.9648 -0.4807 -0.4744 0.9123 0.9153 1.0422 1.0533 1.9829 1.9924 2.2697 2.2713 2.6548 2.6586 2.9116 2.9238 3.1263 3.1307 3.7263 3.7401 3.8199 3.8287 4.4814 4.4837 4.8900 4.8965 4.9501 4.9531 12.3913 12.4037 12.7710 12.7714 13.1445 13.1482 13.2479 13.2492 14.0757 14.0761 k =-0.3451 0.5596 0.0163 ( 4234 PWs) bands (ev): -13.0970 -13.0969 -12.8301 -12.8301 -11.2711 -11.2710 -9.8055 -9.8032 -8.7612 -8.7556 -8.5253 -8.5164 -3.2118 -3.2105 -1.7281 -1.7233 -1.2788 -1.2682 -1.1039 -1.1026 -0.9697 -0.9640 -0.4842 -0.4780 0.9129 0.9158 1.0438 1.0548 1.9812 1.9907 2.2694 2.2711 2.6545 2.6582 2.9105 2.9227 3.1281 3.1325 3.7251 3.7386 3.8218 3.8303 4.4812 4.4834 4.8898 4.8964 4.9494 4.9524 12.3877 12.4001 12.7686 12.7690 13.1477 13.1512 13.2437 13.2450 14.0739 14.0743 k =-0.3451 0.5596 0.0326 ( 4233 PWs) bands (ev): -13.0964 -13.0963 -12.8304 -12.8304 -11.2682 -11.2681 -9.8039 -9.8016 -8.7683 -8.7628 -8.5282 -8.5194 -3.2041 -3.2029 -1.7516 -1.7466 -1.2471 -1.2367 -1.1033 -1.1022 -0.9671 -0.9614 -0.4947 -0.4886 0.9144 0.9174 1.0486 1.0594 1.9762 1.9855 2.2687 2.2703 2.6537 2.6572 2.9073 2.9193 3.1337 3.1379 3.7217 3.7344 3.8271 3.8348 4.4803 4.4825 4.8894 4.8959 4.9474 4.9504 12.3774 12.3896 12.7614 12.7618 13.1570 13.1602 13.2312 13.2325 14.0689 14.0694 k =-0.3451 0.5596 0.0489 ( 4228 PWs) bands (ev): -13.0954 -13.0953 -12.8309 -12.8309 -11.2633 -11.2632 -9.8012 -9.7990 -8.7800 -8.7745 -8.5330 -8.5242 -3.1914 -3.1902 -1.7848 -1.7797 -1.2003 -1.1900 -1.1028 -1.1018 -0.9625 -0.9566 -0.5119 -0.5060 0.9170 0.9201 1.0563 1.0668 1.9678 1.9769 2.2673 2.2689 2.6527 2.6559 2.9020 2.9137 3.1426 3.1467 3.7166 3.7283 3.8350 3.8418 4.4790 4.4811 4.8886 4.8951 4.9441 4.9470 12.3613 12.3733 12.7496 12.7499 13.1714 13.1741 13.2107 13.2121 14.0620 14.0626 k =-0.3451 0.5596 0.0652 ( 4238 PWs) bands (ev): -13.0940 -13.0939 -12.8316 -12.8316 -11.2564 -11.2563 -9.7975 -9.7953 -8.7963 -8.7909 -8.5397 -8.5309 -3.1738 -3.1727 -1.8233 -1.8181 -1.1431 -1.1328 -1.1027 -1.1019 -0.9552 -0.9492 -0.5352 -0.5297 0.9207 0.9238 1.0664 1.0766 1.9563 1.9650 2.2653 2.2667 2.6518 2.6546 2.8944 2.9057 3.1547 3.1586 3.7103 3.7210 3.8448 3.8507 4.4771 4.4792 4.8875 4.8939 4.9394 4.9423 12.3407 12.3525 12.7334 12.7335 13.1815 13.1833 13.1914 13.1931 14.0546 14.0553 k =-0.3451 0.5596 0.0815 ( 4236 PWs) bands (ev): -13.0922 -13.0921 -12.8325 -12.8325 -11.2476 -11.2475 -9.7927 -9.7905 -8.8170 -8.8117 -8.5482 -8.5396 -3.1516 -3.1506 -1.8637 -1.8586 -1.1043 -1.1031 -1.0781 -1.0683 -0.9448 -0.9387 -0.5642 -0.5590 0.9254 0.9285 1.0786 1.0882 1.9417 1.9500 2.2623 2.2637 2.6514 2.6538 2.8845 2.8953 3.1697 3.1733 3.7032 3.7132 3.8558 3.8610 4.4747 4.4768 4.8859 4.8923 4.9334 4.9363 12.3173 12.3289 12.7129 12.7130 13.1484 13.1500 13.2120 13.2131 14.0475 14.0483 k =-0.3451 0.5596 0.0979 ( 4235 PWs) bands (ev): -13.0901 -13.0899 -12.8336 -12.8336 -11.2369 -11.2368 -9.7868 -9.7847 -8.8419 -8.8367 -8.5585 -8.5500 -3.1248 -3.1239 -1.9043 -1.8992 -1.1067 -1.1059 -1.0089 -0.9990 -0.9306 -0.9246 -0.5978 -0.5930 0.9312 0.9343 1.0921 1.1013 1.9240 1.9319 2.2584 2.2596 2.6521 2.6539 2.8722 2.8823 3.1870 3.1904 3.6957 3.7050 3.8678 3.8724 4.4718 4.4738 4.8839 4.8902 4.9261 4.9290 12.2925 12.3039 12.6883 12.6884 13.1096 13.1112 13.2353 13.2356 14.0409 14.0417 k =-0.3451 0.5596 0.1142 ( 4239 PWs) bands (ev): -13.0875 -13.0874 -12.8349 -12.8349 -11.2242 -11.2241 -9.7799 -9.7778 -8.8709 -8.8658 -8.5707 -8.5623 -3.0938 -3.0931 -1.9439 -1.9389 -1.1112 -1.1104 -0.9369 -0.9267 -0.9122 -0.9065 -0.6350 -0.6305 0.9380 0.9412 1.1065 1.1151 1.9036 1.9109 2.2534 2.2545 2.6542 2.6554 2.8574 2.8667 3.2065 3.2096 3.6879 3.6966 3.8804 3.8847 4.4685 4.4704 4.8813 4.8875 4.9175 4.9203 12.2676 12.2788 12.6596 12.6599 13.0677 13.0694 13.2591 13.2596 14.0344 14.0352 k =-0.3451 0.5596 0.1305 ( 4241 PWs) bands (ev): -13.0846 -13.0845 -12.8364 -12.8364 -11.2096 -11.2095 -9.7719 -9.7699 -8.9038 -8.8988 -8.5845 -8.5763 -3.0590 -3.0584 -1.9816 -1.9767 -1.1178 -1.1170 -0.8908 -0.8843 -0.8640 -0.8548 -0.6726 -0.6684 0.9458 0.9492 1.1212 1.1292 1.8805 1.8872 2.2472 2.2482 2.6578 2.6586 2.8399 2.8484 3.2277 3.2305 3.6800 3.6883 3.8937 3.8977 4.4648 4.4667 4.8781 4.8842 4.9077 4.9104 12.2437 12.2549 12.6268 12.6274 13.0249 13.0266 13.2830 13.2843 14.0273 14.0280 k =-0.3451 0.5596 0.1468 ( 4239 PWs) bands (ev): -13.0814 -13.0812 -12.8381 -12.8381 -11.1930 -11.1930 -9.7629 -9.7609 -8.9402 -8.9353 -8.6000 -8.5920 -3.0205 -3.0201 -2.0171 -2.0124 -1.1264 -1.1256 -0.8641 -0.8579 -0.8062 -0.7981 -0.6971 -0.6919 0.9547 0.9582 1.1358 1.1431 1.8550 1.8610 2.2400 2.2409 2.6632 2.6634 2.8196 2.8272 3.2504 3.2528 3.6721 3.6800 3.9074 3.9112 4.4608 4.4626 4.8742 4.8802 4.8967 4.8993 12.2219 12.2331 12.5899 12.5907 12.9830 12.9847 13.3070 13.3090 14.0188 14.0195 k =-0.3451 0.5596 0.1631 ( 4242 PWs) bands (ev): -13.0778 -13.0776 -12.8401 -12.8400 -11.1745 -11.1745 -9.7528 -9.7509 -8.9799 -8.9752 -8.6172 -8.6093 -2.9789 -2.9786 -2.0500 -2.0454 -1.1369 -1.1362 -0.8337 -0.8275 -0.8071 -0.8026 -0.6632 -0.6550 0.9647 0.9683 1.1497 1.1564 1.8272 1.8325 2.2319 2.2328 2.6700 2.6702 2.7964 2.8031 3.2741 3.2764 3.6642 3.6718 3.9215 3.9252 4.4565 4.4582 4.8695 4.8753 4.8844 4.8871 12.2029 12.2141 12.5491 12.5502 12.9438 12.9455 13.3306 13.3334 14.0081 14.0088 k =-0.3451 0.5596 0.1794 ( 4244 PWs) bands (ev): -13.0738 -13.0737 -12.8422 -12.8422 -11.1542 -11.1542 -9.7417 -9.7398 -9.0228 -9.0182 -8.6359 -8.6282 -2.9343 -2.9342 -2.0800 -2.0757 -1.1494 -1.1486 -0.8487 -0.8450 -0.7985 -0.7929 -0.5901 -0.5809 0.9757 0.9794 1.1626 1.1687 1.7972 1.8019 2.2232 2.2240 2.6781 2.6787 2.7701 2.7758 3.2987 3.3007 3.6564 3.6638 3.9359 3.9396 4.4521 4.4537 4.8639 4.8692 4.8711 4.8740 12.1874 12.1985 12.5048 12.5060 12.9085 12.9102 13.3537 13.3573 13.9943 13.9950 k =-0.3451 0.5596 0.1957 ( 4242 PWs) bands (ev): -13.0696 -13.0694 -12.8445 -12.8445 -11.1320 -11.1319 -9.7295 -9.7277 -9.0684 -9.0639 -8.6560 -8.6486 -2.8874 -2.8873 -2.1072 -2.1030 -1.1636 -1.1628 -0.8990 -0.8959 -0.7599 -0.7544 -0.5083 -0.4989 0.9878 0.9917 1.1743 1.1797 1.7654 1.7693 2.2141 2.2150 2.6873 2.6883 2.7408 2.7455 3.3239 3.3257 3.6488 3.6559 3.9507 3.9544 4.4475 4.4491 4.8567 4.8574 4.8584 4.8636 12.1757 12.1869 12.4576 12.4591 12.8780 12.8797 13.3761 13.3805 13.9767 13.9774 k =-0.3451 0.5596 0.2120 ( 4242 PWs) bands (ev): -13.0651 -13.0649 -12.8471 -12.8471 -11.1079 -11.1078 -9.7163 -9.7146 -9.1166 -9.1123 -8.6775 -8.6703 -2.8384 -2.8381 -2.1312 -2.1273 -1.1796 -1.1788 -0.9528 -0.9502 -0.7174 -0.7120 -0.4236 -0.4141 1.0010 1.0050 1.1845 1.1893 1.7317 1.7350 2.2051 2.2060 2.6969 2.6981 2.7087 2.7124 3.3495 3.3510 3.6414 3.6483 3.9658 3.9696 4.4430 4.4445 4.8413 4.8432 4.8497 4.8555 12.1684 12.1797 12.4088 12.4105 12.8524 12.8540 13.3976 13.4027 13.9546 13.9553 k =-0.3451 0.5596 0.2283 ( 4242 PWs) bands (ev): -13.0602 -13.0601 -12.8499 -12.8499 -11.0820 -11.0818 -9.7020 -9.7004 -9.1670 -9.1629 -8.7003 -8.6934 -2.7876 -2.7872 -2.1521 -2.1484 -1.1973 -1.1965 -1.0084 -1.0062 -0.6710 -0.6658 -0.3377 -0.3282 1.0152 1.0194 1.1930 1.1972 1.6965 1.6991 2.1965 2.1974 2.6722 2.6745 2.7080 2.7098 3.3750 3.3763 3.6342 3.6410 3.9813 3.9851 4.4386 4.4401 4.8250 4.8269 4.8409 4.8466 12.1657 12.1770 12.3595 12.3615 12.8316 12.8332 13.4178 13.4236 13.9273 13.9281 k =-0.3451 0.5596 0.2446 ( 4246 PWs) bands (ev): -13.0552 -13.0550 -12.8529 -12.8528 -11.0542 -11.0540 -9.6867 -9.6853 -9.2195 -9.2155 -8.7244 -8.7177 -2.7354 -2.7348 -2.1699 -2.1664 -1.2165 -1.2158 -1.0652 -1.0632 -0.6209 -0.6159 -0.2512 -0.2417 1.0305 1.0348 1.1998 1.2034 1.6598 1.6617 2.1887 2.1897 2.6333 2.6345 2.7181 2.7200 3.4003 3.4014 3.6274 3.6340 3.9973 4.0012 4.4343 4.4358 4.8079 4.8097 4.8310 4.8364 12.1677 12.1791 12.3110 12.3133 12.8154 12.8170 13.4363 13.4429 13.8940 13.8950 k =-0.3451 0.5596 0.2609 ( 4240 PWs) bands (ev): -13.0498 -13.0497 -12.8561 -12.8560 -11.0246 -11.0244 -9.6704 -9.6691 -9.2738 -9.2699 -8.7495 -8.7431 -2.6820 -2.6813 -2.1844 -2.1811 -1.2374 -1.2366 -1.1225 -1.1209 -0.5671 -0.5624 -0.1647 -0.1552 1.0468 1.0513 1.2046 1.2076 1.6219 1.6230 2.1822 2.1833 2.5911 2.5912 2.7276 2.7297 3.4251 3.4260 3.6211 3.6275 4.0137 4.0177 4.4305 4.4319 4.7902 4.7918 4.8197 4.8250 12.1746 12.1860 12.2646 12.2671 12.8033 12.8048 13.4525 13.4598 13.8542 13.8555 k =-0.3451 0.5596 0.2773 ( 4241 PWs) bands (ev): -13.0443 -13.0441 -12.8595 -12.8594 -10.9933 -10.9930 -9.6531 -9.6519 -9.3295 -9.3259 -8.7757 -8.7695 -2.6279 -2.6271 -2.1958 -2.1927 -1.2598 -1.2591 -1.1801 -1.1787 -0.5099 -0.5054 -0.0787 -0.0693 1.0640 1.0687 1.2075 1.2100 1.5828 1.5833 2.1772 2.1785 2.5447 2.5457 2.7359 2.7381 3.4490 3.4496 3.6153 3.6215 4.0308 4.0348 4.4270 4.4284 4.7718 4.7733 4.8070 4.8122 12.1864 12.1977 12.2214 12.2242 12.7948 12.7963 13.4656 13.4736 13.8072 13.8089 k =-0.3451 0.5596 0.2936 ( 4239 PWs) bands (ev): -13.0385 -13.0383 -12.8631 -12.8631 -10.9602 -10.9598 -9.6348 -9.6337 -9.3866 -9.3831 -8.8029 -8.7969 -2.5732 -2.5723 -2.2040 -2.2011 -1.2837 -1.2830 -1.2377 -1.2365 -0.4493 -0.4452 0.0064 0.0158 1.0821 1.0870 1.2084 1.2103 1.5427 1.5428 2.1743 2.1758 2.4952 2.4974 2.7425 2.7448 3.4717 3.4721 3.6102 3.6163 4.0486 4.0527 4.4241 4.4255 4.7530 4.7543 4.7931 4.7980 12.1821 12.1849 12.2031 12.2147 12.7895 12.7909 13.4746 13.4834 13.7531 13.7553 k =-0.3451 0.5596 0.3099 ( 4240 PWs) bands (ev): -13.0325 -13.0324 -12.8670 -12.8669 -10.9253 -10.9249 -9.6156 -9.6146 -9.4448 -9.4414 -8.8308 -8.8252 -2.5183 -2.5173 -2.2090 -2.2063 -1.3093 -1.3084 -1.2948 -1.2940 -0.3855 -0.3817 0.0902 0.0995 1.1009 1.1059 1.2073 1.2086 1.5015 1.5020 2.1738 2.1754 2.4428 2.4461 2.7469 2.7493 3.4927 3.4929 3.6060 3.6119 4.0673 4.0714 4.4218 4.4232 4.7339 4.7350 4.7777 4.7825 12.1478 12.1509 12.2246 12.2361 12.7866 12.7880 13.4786 13.4879 13.6923 13.6951 k =-0.3451 0.5596 0.3262 ( 4242 PWs) bands (ev): -13.0264 -13.0263 -12.8710 -12.8710 -10.8887 -10.8883 -9.5953 -9.5945 -9.5038 -9.5006 -8.8596 -8.8542 -2.4634 -2.4623 -2.2108 -2.2084 -1.3520 -1.3509 -1.3356 -1.3353 -0.3187 -0.3154 0.1724 0.1815 1.1200 1.1250 1.2041 1.2049 1.4601 1.4610 2.1759 2.1777 2.3878 2.3923 2.7487 2.7512 3.5118 3.5118 3.6029 3.6086 4.0869 4.0910 4.4203 4.4216 4.7145 4.7155 4.7609 4.7656 12.1189 12.1223 12.2507 12.2621 12.7856 12.7869 13.4761 13.4860 13.6262 13.6295 k =-0.3451 0.5596 0.3425 ( 4240 PWs) bands (ev): -13.0202 -13.0200 -12.8753 -12.8752 -10.8504 -10.8499 -9.5742 -9.5736 -9.5634 -9.5604 -8.8889 -8.8839 -2.4086 -2.4074 -2.2095 -2.2073 -1.4079 -1.4071 -1.3640 -1.3636 -0.2492 -0.2463 0.2524 0.2614 1.1386 1.1434 1.1988 1.1991 1.4195 1.4206 2.1810 2.1829 2.3305 2.3360 2.7476 2.7502 3.5283 3.5284 3.6012 3.6066 4.1077 4.1118 4.4196 4.4209 4.6950 4.6958 4.7427 4.7472 12.0961 12.0997 12.2812 12.2927 12.7852 12.7864 13.4664 13.4766 13.5569 13.5606 k =-0.3451 0.5596 0.3588 ( 4242 PWs) bands (ev): -13.0138 -13.0136 -12.8798 -12.8797 -10.8105 -10.8100 -9.6237 -9.6208 -9.5520 -9.5515 -8.9188 -8.9141 -2.3541 -2.3529 -2.2052 -2.2032 -1.4630 -1.4623 -1.3938 -1.3934 -0.1771 -0.1747 0.3300 0.3388 1.1550 1.1591 1.1912 1.1914 1.3816 1.3823 2.1893 2.1913 2.2712 2.2778 2.7432 2.7458 3.5422 3.5423 3.6010 3.6060 4.1297 4.1338 4.4197 4.4211 4.6756 4.6762 4.7231 4.7276 12.0797 12.0836 12.3161 12.3275 12.7843 12.7853 13.4487 13.4591 13.4871 13.4912 k =-0.3451 0.5596 0.3751 ( 4248 PWs) bands (ev): -13.0073 -13.0071 -12.8845 -12.8844 -10.7690 -10.7684 -9.6842 -9.6815 -9.5290 -9.5287 -8.9492 -8.9447 -2.3002 -2.2990 -2.1978 -2.1960 -1.5171 -1.5165 -1.4248 -1.4245 -0.1029 -0.1010 0.4047 0.4133 1.1653 1.1679 1.1813 1.1820 1.3500 1.3508 2.2009 2.2028 2.2106 2.2180 2.7353 2.7379 3.5532 3.5532 3.6025 3.6069 4.1530 4.1570 4.4209 4.4222 4.6563 4.6567 4.7022 4.7065 12.0701 12.0742 12.3550 12.3663 12.7809 12.7816 13.4194 13.4239 13.4243 13.4336 k =-0.3451 0.5596 0.3914 ( 4247 PWs) bands (ev): -13.0007 -13.0006 -12.8894 -12.8893 -10.7259 -10.7252 -9.7448 -9.7422 -9.5052 -9.5050 -8.9800 -8.9758 -2.2469 -2.2456 -2.1875 -2.1858 -1.5699 -1.5694 -1.4573 -1.4571 -0.0268 -0.0255 0.4763 0.4847 1.1624 1.1625 1.1692 1.1705 1.3309 1.3343 2.1481 2.1566 2.2162 2.2184 2.7238 2.7264 3.5614 3.5617 3.6053 3.6090 4.1775 4.1814 4.4230 4.4243 4.6372 4.6375 4.6801 4.6842 12.0675 12.0718 12.3976 12.4088 12.7726 12.7728 13.3598 13.3641 13.3899 13.4001 k =-0.3451 0.5596 0.4077 ( 4249 PWs) bands (ev): -12.9941 -12.9939 -12.8944 -12.8944 -10.6812 -10.6804 -9.8055 -9.8030 -9.4805 -9.4805 -9.0110 -9.0071 -2.1943 -2.1931 -2.1742 -2.1726 -1.6214 -1.6210 -1.4910 -1.4909 0.0507 0.0514 0.5445 0.5525 1.1381 1.1408 1.1548 1.1564 1.3308 1.3368 2.0854 2.0947 2.2348 2.2371 2.7086 2.7112 3.5676 3.5683 3.6088 3.6118 4.2032 4.2071 4.4262 4.4274 4.6185 4.6186 4.6567 4.6607 12.0719 12.0764 12.4437 12.4548 12.7560 12.7564 13.3102 13.3142 13.3498 13.3598 k =-0.3451 0.5596 0.4240 ( 4249 PWs) bands (ev): -12.9874 -12.9873 -12.8997 -12.8996 -10.6351 -10.6342 -9.8659 -9.8636 -9.4552 -9.4550 -9.0422 -9.0385 -2.1581 -2.1569 -2.1423 -2.1412 -1.6714 -1.6710 -1.5261 -1.5261 0.1294 0.1295 0.6090 0.6167 1.0986 1.1029 1.1382 1.1403 1.3466 1.3544 2.0224 2.0324 2.2567 2.2591 2.6897 2.6923 3.5727 3.5736 3.6121 3.6144 4.2301 4.2339 4.4304 4.4317 4.6001 4.6003 4.6321 4.6361 12.0835 12.0882 12.4929 12.5040 12.7287 12.7299 13.2747 13.2782 13.3040 13.3137 k =-0.3451 0.5596 0.4403 ( 4249 PWs) bands (ev): -12.9807 -12.9806 -12.9052 -12.9051 -10.5875 -10.5866 -9.9261 -9.9239 -9.4291 -9.4287 -9.0735 -9.0701 -2.1392 -2.1380 -2.0914 -2.0903 -1.7198 -1.7194 -1.5625 -1.5625 0.2081 0.2088 0.6697 0.6771 1.0500 1.0550 1.1195 1.1220 1.3721 1.3809 1.9597 1.9704 2.2819 2.2844 2.6674 2.6699 3.5773 3.5784 3.6145 3.6164 4.2580 4.2617 4.4358 4.4370 4.5823 4.5825 4.6065 4.6104 12.1021 12.1069 12.5450 12.5559 12.6901 12.6922 13.2508 13.2575 13.2575 13.2631 k =-0.3451 0.5596 0.4567 ( 4251 PWs) bands (ev): -12.9740 -12.9739 -12.9108 -12.9107 -10.5385 -10.5375 -9.9859 -9.9838 -9.4022 -9.4016 -9.1048 -9.1017 -2.1175 -2.1165 -2.0415 -2.0404 -1.7664 -1.7661 -1.6002 -1.6001 0.2870 0.2883 0.7265 0.7335 0.9955 1.0009 1.0983 1.1013 1.4036 1.4131 1.8978 1.9090 2.3101 2.3125 2.6417 2.6443 3.5819 3.5830 3.6157 3.6172 4.2867 4.2903 4.4423 4.4434 4.5649 4.5655 4.5799 4.5838 12.1276 12.1326 12.5992 12.6104 12.6419 12.6443 13.1984 13.2083 13.2506 13.2524 k =-0.3451 0.5596 0.4730 ( 4249 PWs) bands (ev): -12.9673 -12.9672 -12.9166 -12.9165 -10.4882 -10.4871 -10.0451 -10.0432 -9.3747 -9.3739 -9.1360 -9.1332 -2.0931 -2.0922 -1.9925 -1.9915 -1.8113 -1.8110 -1.6392 -1.6389 0.3657 0.3677 0.7793 0.7860 0.9368 0.9423 1.0748 1.0782 1.4394 1.4495 1.8372 1.8488 2.3408 2.3432 2.6132 2.6157 3.5866 3.5877 3.6157 3.6170 4.3160 4.3195 4.4499 4.4510 4.5481 4.5490 4.5525 4.5566 12.1597 12.1648 12.5851 12.5891 12.6569 12.6670 13.1413 13.1510 13.2584 13.2597 k =-0.3451 0.5596 0.4893 ( 4249 PWs) bands (ev): -12.9607 -12.9605 -12.9225 -12.9224 -10.4366 -10.4354 -10.1037 -10.1019 -9.3466 -9.3455 -9.1671 -9.1646 -2.0662 -2.0654 -1.9445 -1.9436 -1.8542 -1.8538 -1.6793 -1.6790 0.4437 0.4464 0.8283 0.8345 0.8745 0.8799 1.0486 1.0525 1.4788 1.4895 1.7784 1.7902 2.3736 2.3760 2.5821 2.5846 3.5914 3.5925 3.6145 3.6156 4.3458 4.3493 4.4586 4.4596 4.5242 4.5269 4.5336 4.5338 12.1981 12.2033 12.5255 12.5298 12.7153 12.7255 13.0820 13.0917 13.2763 13.2771 k =-0.3451 0.5596 0.5056 ( 4249 PWs) bands (ev): -12.9541 -12.9540 -12.9286 -12.9285 -10.3837 -10.3824 -10.1616 -10.1598 -9.3178 -9.3165 -9.1980 -9.1957 -2.0367 -2.0360 -1.8986 -1.8981 -1.8936 -1.8936 -1.7207 -1.7202 0.5206 0.5239 0.8087 0.8140 0.8736 0.8795 1.0198 1.0240 1.5215 1.5326 1.7218 1.7336 2.4079 2.4104 2.5490 2.5515 3.5962 3.5972 3.6122 3.6132 4.3758 4.3793 4.4684 4.4693 4.4954 4.4986 4.5184 4.5188 12.2425 12.2477 12.4644 12.4691 12.7752 12.7853 13.0213 13.0310 13.3018 13.3024 k =-0.3451 0.5596 0.5219 ( 4251 PWs) bands (ev): -12.9476 -12.9474 -12.9348 -12.9347 -10.3298 -10.3283 -10.2186 -10.2170 -9.2885 -9.2870 -9.2285 -9.2265 -2.0048 -2.0042 -1.9339 -1.9335 -1.8516 -1.8508 -1.7632 -1.7626 0.5959 0.5998 0.7403 0.7453 0.9151 0.9206 0.9880 0.9927 1.5673 1.5787 1.6675 1.6794 2.4433 2.4457 2.5145 2.5169 3.6008 3.6018 3.6090 3.6100 4.4059 4.4094 4.4656 4.4691 4.4795 4.4805 4.5044 4.5050 12.2921 12.2972 12.4041 12.4090 12.8362 12.8462 12.9597 12.9695 13.3332 13.3336 k =-0.3451 0.5596 0.5382 ( 4248 PWs) bands (ev): -12.9411 -12.9411 -12.9410 -12.9410 -10.2747 -10.2747 -10.2732 -10.2732 -9.2587 -9.2587 -9.2570 -9.2570 -1.9705 -1.9705 -1.9700 -1.9700 -1.8068 -1.8068 -1.8062 -1.8062 0.6692 0.6692 0.6737 0.6737 0.9532 0.9532 0.9583 0.9583 1.6160 1.6160 1.6276 1.6276 2.4790 2.4790 2.4815 2.4815 3.6052 3.6052 3.6061 3.6061 4.4360 4.4360 4.4394 4.4394 4.4914 4.4914 4.4922 4.4922 12.3463 12.3463 12.3514 12.3514 12.8979 12.8979 12.9077 12.9077 13.3691 13.3691 k =-0.3451 0.5596 0.5382 ( 4248 PWs) bands (ev): -12.9411 -12.9411 -12.9410 -12.9410 -10.2747 -10.2747 -10.2732 -10.2732 -9.2587 -9.2587 -9.2570 -9.2570 -1.9705 -1.9705 -1.9700 -1.9700 -1.8068 -1.8068 -1.8062 -1.8062 0.6692 0.6692 0.6737 0.6737 0.9532 0.9532 0.9583 0.9583 1.6160 1.6160 1.6276 1.6276 2.4790 2.4790 2.4815 2.4815 3.6052 3.6052 3.6061 3.6061 4.4360 4.4360 4.4394 4.4394 4.4914 4.4914 4.4922 4.4922 12.3463 12.3463 12.3514 12.3514 12.8979 12.8979 12.9077 12.9077 13.3691 13.3692 k =-0.3537 0.5456 0.5382 ( 4248 PWs) bands (ev): -12.9376 -12.9376 -12.9375 -12.9375 -10.3036 -10.3036 -10.3021 -10.3021 -9.2275 -9.2275 -9.2258 -9.2258 -2.0420 -2.0420 -2.0414 -2.0414 -1.7607 -1.7607 -1.7600 -1.7600 0.6853 0.6853 0.6899 0.6899 0.9623 0.9623 0.9671 0.9671 1.6155 1.6155 1.6270 1.6270 2.4917 2.4917 2.4940 2.4940 3.5932 3.5932 3.5943 3.5943 4.4090 4.4090 4.4125 4.4125 4.5200 4.5200 4.5209 4.5209 12.3027 12.3027 12.3076 12.3076 12.9022 12.9022 12.9116 12.9116 13.4004 13.4005 k =-0.3623 0.5317 0.5382 ( 4260 PWs) bands (ev): -12.9342 -12.9342 -12.9341 -12.9341 -10.3310 -10.3310 -10.3296 -10.3296 -9.1969 -9.1969 -9.1952 -9.1952 -2.1112 -2.1112 -2.1106 -2.1106 -1.7169 -1.7169 -1.7162 -1.7162 0.6998 0.6998 0.7044 0.7044 0.9711 0.9711 0.9756 0.9756 1.6157 1.6157 1.6270 1.6270 2.5055 2.5055 2.5076 2.5076 3.5802 3.5802 3.5814 3.5814 4.3836 4.3836 4.3871 4.3871 4.5492 4.5492 4.5500 4.5500 12.2582 12.2582 12.2629 12.2629 12.9060 12.9060 12.9149 12.9149 13.4339 13.4339 k =-0.3709 0.5177 0.5382 ( 4258 PWs) bands (ev): -12.9310 -12.9310 -12.9309 -12.9309 -10.3569 -10.3569 -10.3556 -10.3556 -9.1671 -9.1671 -9.1655 -9.1655 -2.1779 -2.1779 -2.1772 -2.1772 -1.6755 -1.6755 -1.6748 -1.6748 0.7129 0.7129 0.7175 0.7175 0.9796 0.9796 0.9838 0.9838 1.6165 1.6165 1.6275 1.6275 2.5201 2.5201 2.5222 2.5222 3.5662 3.5662 3.5675 3.5675 4.3599 4.3599 4.3633 4.3633 4.5786 4.5786 4.5794 4.5794 12.2137 12.2137 12.2182 12.2182 12.9100 12.9100 12.9184 12.9184 13.4685 13.4686 k =-0.3795 0.5037 0.5382 ( 4270 PWs) bands (ev): -12.9280 -12.9280 -12.9279 -12.9279 -10.3813 -10.3813 -10.3801 -10.3801 -9.1383 -9.1383 -9.1367 -9.1367 -2.2418 -2.2418 -2.2411 -2.2411 -1.6365 -1.6365 -1.6358 -1.6358 0.7247 0.7247 0.7292 0.7292 0.9878 0.9878 0.9917 0.9917 1.6177 1.6177 1.6283 1.6283 2.5355 2.5355 2.5374 2.5374 3.5515 3.5515 3.5528 3.5528 4.3378 4.3378 4.3412 4.3412 4.6079 4.6079 4.6087 4.6087 12.1699 12.1699 12.1741 12.1741 12.9146 12.9146 12.9224 12.9224 13.5036 13.5036 k =-0.3881 0.4898 0.5382 ( 4266 PWs) bands (ev): -12.9252 -12.9252 -12.9251 -12.9251 -10.4041 -10.4041 -10.4030 -10.4030 -9.1105 -9.1105 -9.1090 -9.1090 -2.3026 -2.3026 -2.3019 -2.3019 -1.6000 -1.6000 -1.5993 -1.5993 0.7353 0.7353 0.7396 0.7396 0.9957 0.9957 0.9993 0.9993 1.6192 1.6192 1.6294 1.6294 2.5514 2.5514 2.5532 2.5532 3.5361 3.5361 3.5374 3.5374 4.3175 4.3175 4.3208 4.3208 4.6369 4.6369 4.6377 4.6377 12.1273 12.1273 12.1314 12.1314 12.9201 12.9201 12.9275 12.9275 13.5383 13.5384 k =-0.3967 0.4758 0.5382 ( 4270 PWs) bands (ev): -12.9226 -12.9226 -12.9225 -12.9225 -10.4253 -10.4253 -10.4243 -10.4243 -9.0840 -9.0840 -9.0826 -9.0826 -2.3601 -2.3601 -2.3594 -2.3594 -1.5661 -1.5661 -1.5654 -1.5654 0.7447 0.7447 0.7488 0.7488 1.0031 1.0031 1.0064 1.0064 1.6210 1.6210 1.6307 1.6307 2.5677 2.5677 2.5693 2.5693 3.5202 3.5202 3.5215 3.5215 4.2989 4.2989 4.3020 4.3020 4.6653 4.6653 4.6661 4.6661 12.0866 12.0866 12.0903 12.0903 12.9270 12.9270 12.9339 12.9339 13.5722 13.5723 k =-0.4053 0.4619 0.5382 ( 4268 PWs) bands (ev): -12.9202 -12.9202 -12.9201 -12.9201 -10.4449 -10.4449 -10.4439 -10.4439 -9.0589 -9.0589 -9.0575 -9.0575 -2.4140 -2.4140 -2.4133 -2.4133 -1.5347 -1.5347 -1.5341 -1.5341 0.7530 0.7530 0.7570 0.7570 1.0101 1.0101 1.0132 1.0132 1.6229 1.6229 1.6320 1.6320 2.5840 2.5840 2.5855 2.5855 3.5040 3.5040 3.5053 3.5053 4.2821 4.2821 4.2850 4.2850 4.6929 4.6929 4.6936 4.6936 12.0480 12.0480 12.0514 12.0514 12.9355 12.9355 12.9418 12.9418 13.6047 13.6048 k =-0.4139 0.4479 0.5382 ( 4256 PWs) bands (ev): -12.9180 -12.9180 -12.9179 -12.9179 -10.4629 -10.4629 -10.4620 -10.4620 -9.0353 -9.0353 -9.0341 -9.0341 -2.4642 -2.4642 -2.4635 -2.4635 -1.5060 -1.5060 -1.5053 -1.5053 0.7604 0.7604 0.7641 0.7641 1.0167 1.0167 1.0194 1.0194 1.6248 1.6248 1.6333 1.6333 2.6003 2.6003 2.6017 2.6017 3.4877 3.4877 3.4889 3.4889 4.2669 4.2669 4.2696 4.2696 4.7193 4.7193 4.7199 4.7199 12.0119 12.0119 12.0150 12.0150 12.9457 12.9457 12.9515 12.9515 13.6355 13.6357 k =-0.4225 0.4340 0.5382 ( 4256 PWs) bands (ev): -12.9160 -12.9160 -12.9159 -12.9159 -10.4792 -10.4792 -10.4784 -10.4784 -9.0135 -9.0135 -9.0123 -9.0123 -2.5103 -2.5103 -2.5096 -2.5096 -1.4799 -1.4799 -1.4793 -1.4793 0.7669 0.7669 0.7704 0.7704 1.0228 1.0228 1.0252 1.0252 1.6267 1.6267 1.6346 1.6346 2.6162 2.6162 2.6175 2.6175 3.4717 3.4717 3.4728 3.4728 4.2533 4.2533 4.2559 4.2559 4.7442 4.7442 4.7447 4.7447 11.9785 11.9785 11.9814 11.9814 12.9577 12.9577 12.9629 12.9629 13.6642 13.6644 k =-0.4311 0.4200 0.5382 ( 4258 PWs) bands (ev): -12.9142 -12.9142 -12.9141 -12.9141 -10.4938 -10.4938 -10.4931 -10.4931 -8.9935 -8.9935 -8.9925 -8.9925 -2.5521 -2.5521 -2.5515 -2.5515 -1.4565 -1.4565 -1.4559 -1.4559 0.7727 0.7727 0.7758 0.7758 1.0283 1.0283 1.0305 1.0305 1.6286 1.6286 1.6357 1.6357 2.6316 2.6316 2.6327 2.6327 3.4561 3.4561 3.4572 3.4572 4.2414 4.2414 4.2437 4.2437 4.7673 4.7673 4.7678 4.7678 11.9481 11.9481 11.9507 11.9507 12.9712 12.9712 12.9759 12.9759 13.6906 13.6907 k =-0.4398 0.4060 0.5382 ( 4258 PWs) bands (ev): -12.9126 -12.9126 -12.9125 -12.9125 -10.5067 -10.5067 -10.5061 -10.5061 -8.9755 -8.9755 -8.9746 -8.9746 -2.5896 -2.5896 -2.5890 -2.5890 -1.4358 -1.4358 -1.4353 -1.4353 0.7776 0.7776 0.7804 0.7804 1.0333 1.0333 1.0352 1.0352 1.6304 1.6304 1.6367 1.6367 2.6461 2.6461 2.6470 2.6470 3.4413 3.4413 3.4423 3.4423 4.2310 4.2310 4.2330 4.2330 4.7885 4.7885 4.7889 4.7889 11.9209 11.9209 11.9232 11.9232 12.9860 12.9860 12.9901 12.9901 13.7144 13.7145 k =-0.4484 0.3921 0.5382 ( 4262 PWs) bands (ev): -12.9112 -12.9112 -12.9112 -12.9112 -10.5180 -10.5180 -10.5174 -10.5174 -8.9596 -8.9596 -8.9588 -8.9588 -2.6224 -2.6224 -2.6219 -2.6219 -1.4178 -1.4178 -1.4173 -1.4173 0.7819 0.7819 0.7843 0.7843 1.0378 1.0378 1.0394 1.0394 1.6320 1.6320 1.6375 1.6375 2.6594 2.6594 2.6603 2.6603 3.4276 3.4276 3.4284 3.4284 4.2221 4.2221 4.2239 4.2239 4.8074 4.8074 4.8078 4.8078 11.8971 11.8971 11.8990 11.8990 13.0017 13.0017 13.0053 13.0053 13.7353 13.7354 k =-0.4570 0.3781 0.5382 ( 4256 PWs) bands (ev): -12.9101 -12.9101 -12.9100 -12.9100 -10.5275 -10.5275 -10.5270 -10.5270 -8.9459 -8.9459 -8.9452 -8.9452 -2.6504 -2.6504 -2.6500 -2.6500 -1.4025 -1.4025 -1.4022 -1.4022 0.7855 0.7855 0.7875 0.7875 1.0416 1.0416 1.0429 1.0429 1.6334 1.6334 1.6381 1.6381 2.6714 2.6714 2.6721 2.6721 3.4153 3.4153 3.4160 3.4160 4.2147 4.2147 4.2162 4.2162 4.8238 4.8238 4.8241 4.8241 11.8767 11.8767 11.8783 11.8783 13.0175 13.0175 13.0206 13.0206 13.7533 13.7533 k =-0.4656 0.3642 0.5382 ( 4248 PWs) bands (ev): -12.9091 -12.9091 -12.9091 -12.9091 -10.5353 -10.5353 -10.5349 -10.5349 -8.9345 -8.9345 -8.9340 -8.9340 -2.6736 -2.6736 -2.6732 -2.6732 -1.3900 -1.3900 -1.3897 -1.3897 0.7884 0.7884 0.7901 0.7901 1.0447 1.0447 1.0458 1.0458 1.6348 1.6348 1.6385 1.6385 2.6817 2.6817 2.6823 2.6823 3.4047 3.4047 3.4053 3.4053 4.2088 4.2088 4.2100 4.2100 4.8375 4.8375 4.8377 4.8377 11.8599 11.8599 11.8612 11.8612 13.0328 13.0328 13.0352 13.0352 13.7681 13.7682 k =-0.4742 0.3502 0.5382 ( 4248 PWs) bands (ev): -12.9084 -12.9084 -12.9083 -12.9083 -10.5413 -10.5413 -10.5410 -10.5410 -8.9256 -8.9256 -8.9252 -8.9252 -2.6917 -2.6917 -2.6914 -2.6914 -1.3803 -1.3803 -1.3800 -1.3800 0.7907 0.7907 0.7920 0.7920 1.0473 1.0473 1.0481 1.0481 1.6359 1.6359 1.6387 1.6387 2.6900 2.6900 2.6905 2.6905 3.3962 3.3962 3.3966 3.3966 4.2042 4.2042 4.2051 4.2051 4.8483 4.8483 4.8485 4.8485 11.8468 11.8468 11.8478 11.8478 13.0463 13.0463 13.0482 13.0482 13.7798 13.7798 k =-0.4828 0.3363 0.5382 ( 4244 PWs) bands (ev): -12.9078 -12.9078 -12.9078 -12.9078 -10.5456 -10.5456 -10.5455 -10.5455 -8.9191 -8.9191 -8.9189 -8.9189 -2.7046 -2.7046 -2.7045 -2.7045 -1.3733 -1.3733 -1.3731 -1.3731 0.7924 0.7924 0.7933 0.7933 1.0491 1.0491 1.0497 1.0497 1.6368 1.6368 1.6387 1.6387 2.6962 2.6962 2.6965 2.6965 3.3899 3.3899 3.3902 3.3902 4.2010 4.2010 4.2016 4.2016 4.8562 4.8562 4.8563 4.8563 11.8375 11.8375 11.8381 11.8381 13.0571 13.0571 13.0584 13.0584 13.7882 13.7882 k =-0.4914 0.3223 0.5382 ( 4240 PWs) bands (ev): -12.9075 -12.9075 -12.9075 -12.9075 -10.5482 -10.5482 -10.5481 -10.5481 -8.9152 -8.9152 -8.9151 -8.9151 -2.7124 -2.7124 -2.7124 -2.7124 -1.3691 -1.3691 -1.3690 -1.3690 0.7935 0.7935 0.7940 0.7940 1.0503 1.0503 1.0506 1.0506 1.6376 1.6376 1.6385 1.6385 2.7000 2.7000 2.7002 2.7002 3.3860 3.3860 3.3862 3.3862 4.1992 4.1992 4.1995 4.1995 4.8610 4.8610 4.8610 4.8610 11.8319 11.8319 11.8322 11.8322 13.0643 13.0643 13.0649 13.0649 13.7932 13.7932 k =-0.5000 0.3083 0.5382 ( 4256 PWs) bands (ev): -12.9074 -12.9074 -12.9074 -12.9074 -10.5490 -10.5490 -10.5490 -10.5490 -8.9139 -8.9139 -8.9139 -8.9139 -2.7150 -2.7150 -2.7150 -2.7150 -1.3677 -1.3677 -1.3677 -1.3677 0.7940 0.7940 0.7940 0.7940 1.0508 1.0508 1.0508 1.0508 1.6381 1.6381 1.6381 1.6381 2.7013 2.7013 2.7013 2.7013 3.3848 3.3848 3.3848 3.3848 4.1986 4.1986 4.1986 4.1986 4.8626 4.8626 4.8626 4.8626 11.8301 11.8301 11.8301 11.8301 13.0669 13.0669 13.0669 13.0669 13.7949 13.7949 k =-0.5000 0.3083 0.5382 ( 4256 PWs) bands (ev): -12.9074 -12.9074 -12.9074 -12.9074 -10.5490 -10.5490 -10.5490 -10.5490 -8.9139 -8.9139 -8.9139 -8.9139 -2.7150 -2.7150 -2.7150 -2.7150 -1.3677 -1.3677 -1.3677 -1.3677 0.7940 0.7940 0.7940 0.7940 1.0508 1.0508 1.0508 1.0508 1.6381 1.6381 1.6381 1.6381 2.7013 2.7013 2.7013 2.7013 3.3848 3.3848 3.3848 3.3848 4.1986 4.1986 4.1986 4.1986 4.8626 4.8626 4.8626 4.8626 11.8301 11.8301 11.8301 11.8301 13.0669 13.0669 13.0669 13.0669 13.7949 13.7949 k =-0.5000 0.3083 0.5219 ( 4240 PWs) bands (ev): -12.9125 -12.9125 -12.9023 -12.9023 -10.6066 -10.6066 -10.4903 -10.4903 -8.9226 -8.9226 -8.9052 -8.9052 -2.7235 -2.7235 -2.7034 -2.7034 -1.4160 -1.4160 -1.3224 -1.3224 0.7022 0.7022 0.8865 0.8865 1.0428 1.0428 1.0564 1.0564 1.6085 1.6085 1.6703 1.6703 2.6993 2.6993 2.7008 2.7008 3.3707 3.3707 3.3970 3.3970 4.1732 4.1732 4.2248 4.2248 4.8612 4.8612 4.8649 4.8649 11.8306 11.8306 11.8377 11.8377 13.0569 13.0569 13.0737 13.0737 13.7503 13.7503 k =-0.5000 0.3083 0.5056 ( 4240 PWs) bands (ev): -12.9178 -12.9178 -12.8973 -12.8973 -10.6630 -10.6630 -10.4306 -10.4306 -8.9315 -8.9315 -8.8968 -8.8968 -2.7290 -2.7290 -2.6887 -2.6887 -1.4677 -1.4677 -1.2801 -1.2801 0.6120 0.6120 0.9778 0.9778 1.0324 1.0324 1.0597 1.0597 1.5827 1.5827 1.7041 1.7041 2.6950 2.6950 2.6975 2.6975 3.3546 3.3546 3.4077 3.4077 4.1487 4.1487 4.2513 4.2513 4.8608 4.8608 4.8681 4.8681 11.8393 11.8393 11.8530 11.8530 13.0443 13.0443 13.0765 13.0765 13.7052 13.7052 k =-0.5000 0.3083 0.4893 ( 4242 PWs) bands (ev): -12.9230 -12.9230 -12.8924 -12.8924 -10.7181 -10.7181 -10.3699 -10.3699 -8.9405 -8.9405 -8.8885 -8.8885 -2.7312 -2.7312 -2.6710 -2.6710 -1.5226 -1.5226 -1.2406 -1.2406 0.5242 0.5242 1.0191 1.0191 1.0607 1.0607 1.0655 1.0655 1.5632 1.5632 1.7391 1.7391 2.6885 2.6885 2.6913 2.6913 3.3365 3.3365 3.4170 3.4170 4.1254 4.1254 4.2780 4.2780 4.8614 4.8614 4.8721 4.8721 11.8563 11.8563 11.8757 11.8757 13.0297 13.0297 13.0747 13.0747 13.6601 13.6601 k =-0.5000 0.3083 0.4730 ( 4252 PWs) bands (ev): -12.9283 -12.9283 -12.8876 -12.8876 -10.7719 -10.7719 -10.3083 -10.3083 -8.9496 -8.9496 -8.8804 -8.8804 -2.7304 -2.7304 -2.6503 -2.6503 -1.5809 -1.5809 -1.2038 -1.2038 0.4396 0.4396 1.0030 1.0030 1.0601 1.0601 1.1438 1.1438 1.5545 1.5545 1.7751 1.7751 2.6803 2.6803 2.6823 2.6823 3.3163 3.3163 3.4252 3.4252 4.1034 4.1034 4.3044 4.3044 4.8631 4.8631 4.8769 4.8769 11.8816 11.8816 11.9055 11.9055 13.0137 13.0137 13.0680 13.0680 13.6156 13.6156 k =-0.5000 0.3083 0.4567 ( 4250 PWs) bands (ev): -12.9336 -12.9336 -12.8829 -12.8829 -10.8243 -10.8243 -10.2460 -10.2460 -8.9587 -8.9587 -8.8726 -8.8726 -2.7264 -2.7264 -2.6266 -2.6266 -1.6426 -1.6426 -1.1694 -1.1694 0.3584 0.3584 0.9837 0.9837 1.0572 1.0572 1.2055 1.2055 1.5642 1.5642 1.8116 1.8116 2.6696 2.6696 2.6713 2.6713 3.2942 3.2942 3.4326 3.4326 4.0828 4.0828 4.3304 4.3304 4.8660 4.8660 4.8823 4.8823 11.9153 11.9153 11.9417 11.9417 12.9969 12.9969 13.0560 13.0560 13.5723 13.5723 k =-0.5000 0.3083 0.4403 ( 4254 PWs) bands (ev): -12.9389 -12.9389 -12.8784 -12.8784 -10.8753 -10.8753 -10.1830 -10.1830 -8.9678 -8.9678 -8.8650 -8.8650 -2.7193 -2.7193 -2.6001 -2.6001 -1.7076 -1.7076 -1.1374 -1.1374 0.2810 0.2810 0.9611 0.9611 1.0523 1.0523 1.2422 1.2422 1.5999 1.5999 1.8485 1.8485 2.6547 2.6547 2.6605 2.6605 3.2705 3.2705 3.4393 3.4393 4.0636 4.0636 4.3556 4.3556 4.8700 4.8700 4.8884 4.8884 11.9572 11.9572 11.9837 11.9837 12.9796 12.9796 13.0389 13.0389 13.5306 13.5306 k =-0.5000 0.3083 0.4240 ( 4258 PWs) bands (ev): -12.9442 -12.9442 -12.8739 -12.8739 -10.9248 -10.9248 -10.1195 -10.1195 -8.9770 -8.9770 -8.8577 -8.8577 -2.7092 -2.7092 -2.5709 -2.5709 -1.7758 -1.7758 -1.1075 -1.1075 0.2078 0.2078 0.9350 0.9350 1.0455 1.0455 1.2541 1.2541 1.6614 1.6614 1.8857 1.8857 2.6366 2.6366 2.6494 2.6494 3.2455 3.2455 3.4454 3.4454 4.0457 4.0457 4.3798 4.3798 4.8752 4.8752 4.8950 4.8950 12.0070 12.0070 12.0308 12.0308 12.9624 12.9624 13.0170 13.0170 13.4912 13.4912 k =-0.5000 0.3083 0.4077 ( 4256 PWs) bands (ev): -12.9495 -12.9495 -12.8696 -12.8696 -10.9727 -10.9727 -10.0556 -10.0556 -8.9860 -8.9860 -8.8506 -8.8506 -2.6960 -2.6960 -2.5389 -2.5389 -1.8470 -1.8470 -1.0796 -1.0796 0.1387 0.1387 0.9051 0.9051 1.0365 1.0365 1.2489 1.2489 1.7402 1.7402 1.9229 1.9229 2.6156 2.6156 2.6383 2.6383 3.2197 3.2197 3.4512 3.4512 4.0290 4.0290 4.4028 4.4028 4.8817 4.8817 4.9022 4.9022 12.0647 12.0647 12.0822 12.0822 12.9454 12.9454 12.9910 12.9910 13.4550 13.4550 k =-0.5000 0.3083 0.3914 ( 4254 PWs) bands (ev): -12.9547 -12.9547 -12.8655 -12.8655 -11.0191 -11.0191 -9.9914 -9.9914 -8.9950 -8.9950 -8.8438 -8.8438 -2.6797 -2.6797 -2.5043 -2.5043 -1.9209 -1.9209 -1.0537 -1.0537 0.0739 0.0739 0.8715 0.8715 1.0254 1.0254 1.2344 1.2344 1.8283 1.8283 1.9601 1.9601 2.5917 2.5917 2.6274 2.6274 3.1934 3.1934 3.4567 3.4567 4.0134 4.0134 4.4245 4.4245 4.8895 4.8895 4.9097 4.9097 12.1297 12.1297 12.1369 12.1369 12.9290 12.9290 12.9615 12.9615 13.4226 13.4226 k =-0.5000 0.3083 0.3751 ( 4254 PWs) bands (ev): -12.9599 -12.9599 -12.8615 -12.8615 -11.0638 -11.0638 -9.9271 -9.9271 -9.0039 -9.0039 -8.8373 -8.8373 -2.6606 -2.6606 -2.4672 -2.4672 -1.9973 -1.9973 -1.0295 -1.0295 0.0133 0.0133 0.8341 0.8341 1.0120 1.0120 1.2151 1.2151 1.9206 1.9206 1.9972 1.9972 2.5653 2.5653 2.6174 2.6174 3.1672 3.1672 3.4619 3.4619 3.9987 3.9987 4.4447 4.4447 4.8985 4.8985 4.9176 4.9176 12.1933 12.1933 12.2023 12.2023 12.9134 12.9134 12.9295 12.9295 13.3950 13.3950 k =-0.5000 0.3083 0.3588 ( 4250 PWs) bands (ev): -12.9650 -12.9650 -12.8576 -12.8576 -11.1069 -11.1069 -9.8628 -9.8628 -9.0127 -9.0127 -8.8311 -8.8311 -2.6386 -2.6386 -2.4277 -2.4277 -2.0756 -2.0756 -1.0070 -1.0070 -0.0431 -0.0431 0.7927 0.7927 0.9962 0.9962 1.1936 1.1936 2.0132 2.0132 2.0352 2.0352 2.5366 2.5366 2.6084 2.6084 3.1415 3.1415 3.4669 3.4669 3.9848 3.9848 4.4634 4.4634 4.9088 4.9088 4.9259 4.9259 12.2506 12.2506 12.2812 12.2812 12.8943 12.8943 12.9002 12.9002 13.3733 13.3733 k =-0.5000 0.3083 0.3425 ( 4254 PWs) bands (ev): -12.9700 -12.9700 -12.8540 -12.8540 -11.1482 -11.1482 -9.7987 -9.7987 -9.0213 -9.0213 -8.8252 -8.8252 -2.6138 -2.6138 -2.3859 -2.3859 -2.1556 -2.1556 -0.9861 -0.9861 -0.0955 -0.0955 0.7475 0.7475 0.9779 0.9779 1.1711 1.1711 2.0685 2.0685 2.1098 2.1098 2.5059 2.5059 2.6007 2.6007 3.1165 3.1165 3.4716 3.4716 3.9714 3.9714 4.4804 4.4804 4.9204 4.9204 4.9343 4.9343 12.3069 12.3069 12.3664 12.3664 12.8598 12.8598 12.8865 12.8865 13.3587 13.3587 k =-0.5000 0.3083 0.3262 ( 4262 PWs) bands (ev): -12.9749 -12.9749 -12.8505 -12.8505 -11.1879 -11.1879 -9.7350 -9.7350 -9.0298 -9.0298 -8.8196 -8.8196 -2.5863 -2.5863 -2.3421 -2.3421 -2.2366 -2.2366 -0.9666 -0.9666 -0.1439 -0.1439 0.6987 0.6987 0.9569 0.9569 1.1484 1.1484 2.1046 2.1046 2.2018 2.2018 2.4738 2.4738 2.5947 2.5947 3.0926 3.0926 3.4761 3.4761 3.9586 3.9586 4.4959 4.4959 4.9333 4.9333 4.9430 4.9430 12.3606 12.3606 12.4573 12.4573 12.8241 12.8241 12.8749 12.8749 13.3525 13.3525 k =-0.5000 0.3083 0.3099 ( 4258 PWs) bands (ev): -12.9796 -12.9796 -12.8471 -12.8471 -11.2257 -11.2257 -9.6719 -9.6719 -9.0380 -9.0380 -8.8142 -8.8142 -2.5563 -2.5563 -2.3184 -2.3184 -2.2962 -2.2962 -0.9485 -0.9485 -0.1886 -0.1886 0.6464 0.6464 0.9332 0.9332 1.1259 1.1259 2.1395 2.1395 2.2921 2.2921 2.4408 2.4408 2.5903 2.5903 3.0700 3.0700 3.4803 3.4803 3.9462 3.9462 4.5096 4.5096 4.9473 4.9473 4.9518 4.9518 12.4098 12.4098 12.5533 12.5533 12.7884 12.7884 12.8651 12.8651 13.3559 13.3559 k =-0.5000 0.3083 0.2936 ( 4258 PWs) bands (ev): -12.9843 -12.9843 -12.8439 -12.8439 -11.2618 -11.2618 -9.6095 -9.6095 -9.0460 -9.0460 -8.8092 -8.8092 -2.5239 -2.5239 -2.4002 -2.4002 -2.2487 -2.2487 -0.9318 -0.9318 -0.2298 -0.2298 0.5910 0.5910 0.9067 0.9067 1.1039 1.1039 2.1735 2.1735 2.3797 2.3797 2.4075 2.4075 2.5877 2.5877 3.0486 3.0486 3.4842 3.4842 3.9341 3.9341 4.5218 4.5218 4.9600 4.9600 4.9632 4.9632 12.4529 12.4529 12.6538 12.6538 12.7530 12.7530 12.8572 12.8572 13.3701 13.3701 k =-0.5000 0.3083 0.2773 ( 4262 PWs) bands (ev): -12.9888 -12.9888 -12.8409 -12.8409 -11.2961 -11.2961 -9.5482 -9.5482 -9.0537 -9.0537 -8.8045 -8.8045 -2.4893 -2.4893 -2.4815 -2.4815 -2.1995 -2.1995 -0.9163 -0.9163 -0.2677 -0.2677 0.5326 0.5326 0.8773 0.8773 1.0826 1.0826 2.2066 2.2066 2.3742 2.3742 2.4643 2.4643 2.5869 2.5869 3.0286 3.0286 3.4878 3.4878 3.9224 3.9224 4.5324 4.5324 4.9689 4.9689 4.9794 4.9794 12.4889 12.4889 12.7181 12.7181 12.7581 12.7581 12.8513 12.8513 13.3955 13.3955 k =-0.5000 0.3083 0.2609 ( 4258 PWs) bands (ev): -12.9931 -12.9931 -12.8381 -12.8381 -11.3285 -11.3285 -9.4881 -9.4881 -9.0611 -9.0611 -8.8001 -8.8001 -2.5622 -2.5622 -2.4524 -2.4524 -2.1491 -2.1491 -0.9019 -0.9019 -0.3024 -0.3024 0.4719 0.4719 0.8449 0.8449 1.0622 1.0622 2.2385 2.2385 2.3417 2.3417 2.5452 2.5452 2.5878 2.5878 3.0100 3.0100 3.4910 3.4910 3.9110 3.9110 4.5414 4.5414 4.9775 4.9775 4.9967 4.9967 12.5172 12.5172 12.6846 12.6846 12.8471 12.8471 12.8653 12.8653 13.4321 13.4321 k =-0.5000 0.3083 0.2446 ( 4256 PWs) bands (ev): -12.9972 -12.9972 -12.8354 -12.8354 -11.3591 -11.3591 -9.4296 -9.4296 -9.0682 -9.0682 -8.7961 -8.7961 -2.6412 -2.6412 -2.4138 -2.4138 -2.0975 -2.0975 -0.8887 -0.8887 -0.3341 -0.3341 0.4091 0.4091 0.8098 0.8098 1.0428 1.0428 2.2692 2.2692 2.3104 2.3104 2.5903 2.5903 2.6222 2.6222 2.9927 2.9927 3.4938 3.4938 3.9000 3.9000 4.5491 4.5491 4.9860 4.9860 5.0150 5.0150 12.5382 12.5382 12.6523 12.6523 12.8457 12.8457 12.9738 12.9738 13.4788 13.4788 k =-0.5000 0.3083 0.2283 ( 4256 PWs) bands (ev): -13.0012 -13.0012 -12.8329 -12.8329 -11.3878 -11.3878 -9.3728 -9.3728 -9.0749 -9.0749 -8.7923 -8.7923 -2.7183 -2.7183 -2.3736 -2.3736 -2.0452 -2.0452 -0.8766 -0.8766 -0.3631 -0.3631 0.3449 0.3449 0.7722 0.7722 1.0245 1.0245 2.2804 2.2804 2.2988 2.2988 2.5942 2.5942 2.6949 2.6949 2.9768 2.9768 3.4963 3.4963 3.8893 3.8893 4.5554 4.5554 4.9942 4.9942 5.0339 5.0339 12.5526 12.5526 12.6214 12.6214 12.8464 12.8464 13.0831 13.0831 13.5340 13.5340 k =-0.5000 0.3083 0.2120 ( 4250 PWs) bands (ev): -13.0049 -13.0049 -12.8306 -12.8306 -11.4145 -11.4145 -9.3180 -9.3180 -9.0813 -9.0813 -8.7887 -8.7887 -2.7929 -2.7929 -2.3320 -2.3320 -1.9924 -1.9924 -0.8655 -0.8655 -0.3894 -0.3894 0.2797 0.2797 0.7322 0.7322 1.0072 1.0072 2.2526 2.2526 2.3266 2.3266 2.5994 2.5994 2.7630 2.7630 2.9621 2.9621 3.4983 3.4983 3.8790 3.8790 4.5605 4.5605 5.0021 5.0021 5.0533 5.0533 12.5616 12.5616 12.5923 12.5923 12.8495 12.8495 13.1917 13.1917 13.5956 13.5956 k =-0.5000 0.3083 0.1957 ( 4254 PWs) bands (ev): -13.0084 -13.0084 -12.8285 -12.8285 -11.4394 -11.4394 -9.2656 -9.2656 -9.0873 -9.0873 -8.7855 -8.7855 -2.8645 -2.8645 -2.2895 -2.2895 -1.9396 -1.9396 -0.8554 -0.8554 -0.4133 -0.4133 0.2142 0.2142 0.6903 0.6903 0.9911 0.9911 2.2269 2.2269 2.3530 2.3530 2.6056 2.6056 2.8264 2.8264 2.9486 2.9486 3.5000 3.5000 3.8691 3.8691 4.5644 4.5644 5.0097 5.0097 5.0730 5.0730 12.5625 12.5625 12.5690 12.5690 12.8549 12.8549 13.2976 13.2976 13.6259 13.6259 k =-0.5000 0.3083 0.1794 ( 4238 PWs) bands (ev): -13.0117 -13.0117 -12.8265 -12.8265 -11.4623 -11.4623 -9.2158 -9.2158 -9.0929 -9.0929 -8.7826 -8.7826 -2.9325 -2.9325 -2.2464 -2.2464 -1.8872 -1.8872 -0.8462 -0.8462 -0.4348 -0.4348 0.1489 0.1489 0.6470 0.6470 0.9762 0.9762 2.2035 2.2035 2.3778 2.3778 2.6126 2.6126 2.8849 2.8849 2.9364 2.9364 3.5013 3.5013 3.8598 3.8598 4.5674 4.5674 5.0168 5.0168 5.0927 5.0927 12.5387 12.5387 12.5695 12.5695 12.8627 12.8627 13.3989 13.3989 13.6073 13.6073 k =-0.5000 0.3083 0.1631 ( 4240 PWs) bands (ev): -13.0147 -13.0147 -12.8247 -12.8247 -11.4833 -11.4833 -9.1690 -9.1690 -9.0981 -9.0981 -8.7799 -8.7799 -2.9966 -2.9966 -2.2032 -2.2032 -1.8356 -1.8356 -0.8380 -0.8380 -0.4541 -0.4541 0.0847 0.0847 0.6028 0.6028 0.9625 0.9625 2.1824 2.1824 2.4007 2.4007 2.6201 2.6201 2.9249 2.9249 2.9388 2.9388 3.5022 3.5022 3.8510 3.8510 4.5696 4.5696 5.0236 5.0236 5.1122 5.1122 12.5152 12.5152 12.5695 12.5695 12.8729 12.8729 13.4931 13.4931 13.5885 13.5885 k =-0.5000 0.3083 0.1468 ( 4232 PWs) bands (ev): -13.0175 -13.0175 -12.8231 -12.8231 -11.5023 -11.5023 -9.1255 -9.1255 -9.1028 -9.1028 -8.7776 -8.7776 -3.0562 -3.0562 -2.1604 -2.1604 -1.7854 -1.7854 -0.8306 -0.8306 -0.4713 -0.4713 0.0222 0.0222 0.5586 0.5586 0.9501 0.9501 2.1637 2.1637 2.4219 2.4219 2.6279 2.6279 2.9151 2.9151 2.9870 2.9870 3.5027 3.5027 3.8428 3.8428 4.5711 4.5711 5.0298 5.0298 5.1310 5.1310 12.4938 12.4938 12.5684 12.5684 12.8853 12.8853 13.5697 13.5697 13.5780 13.5780 k =-0.5000 0.3083 0.1305 ( 4228 PWs) bands (ev): -13.0200 -13.0200 -12.8217 -12.8217 -11.5194 -11.5194 -9.1072 -9.1072 -9.0854 -9.0854 -8.7754 -8.7754 -3.1109 -3.1109 -2.1186 -2.1186 -1.7372 -1.7372 -0.8241 -0.8241 -0.4865 -0.4865 -0.0378 -0.0378 0.5151 0.5151 0.9389 0.9389 2.1474 2.1474 2.4410 2.4410 2.6358 2.6358 2.9062 2.9062 3.0303 3.0303 3.5030 3.5030 3.8353 3.8353 4.5719 4.5719 5.0355 5.0355 5.1490 5.1490 12.4744 12.4744 12.5666 12.5666 12.8998 12.8998 13.5520 13.5520 13.6507 13.6507 k =-0.5000 0.3083 0.1142 ( 4224 PWs) bands (ev): -13.0222 -13.0222 -12.8204 -12.8204 -11.5344 -11.5344 -9.1110 -9.1110 -9.0493 -9.0493 -8.7736 -8.7736 -3.1603 -3.1603 -2.0785 -2.0785 -1.6919 -1.6919 -0.8184 -0.8184 -0.4997 -0.4997 -0.0943 -0.0943 0.4733 0.4733 0.9290 0.9290 2.1333 2.1333 2.4581 2.4581 2.6435 2.6435 2.8983 2.8983 3.0685 3.0685 3.5031 3.5031 3.8286 3.8286 4.5723 4.5723 5.0406 5.0406 5.1658 5.1658 12.4572 12.4572 12.5644 12.5644 12.9161 12.9161 13.5351 13.5351 13.7105 13.7105 k =-0.5000 0.3083 0.0979 ( 4218 PWs) bands (ev): -13.0242 -13.0242 -12.8193 -12.8193 -11.5475 -11.5475 -9.1143 -9.1143 -9.0173 -9.0173 -8.7720 -8.7720 -3.2040 -3.2040 -2.0410 -2.0410 -1.6500 -1.6500 -0.8135 -0.8135 -0.5110 -0.5110 -0.1464 -0.1464 0.4340 0.4340 0.9204 0.9204 2.1214 2.1214 2.4732 2.4732 2.6507 2.6507 2.8916 2.8916 3.1014 3.1014 3.5029 3.5029 3.8226 3.8226 4.5724 4.5724 5.0452 5.0452 5.1811 5.1811 12.4422 12.4422 12.5623 12.5623 12.9337 12.9337 13.5197 13.5197 13.7162 13.7162 k =-0.5000 0.3083 0.0815 ( 4216 PWs) bands (ev): -13.0259 -13.0259 -12.8184 -12.8184 -11.5586 -11.5586 -9.1171 -9.1171 -8.9897 -8.9897 -8.7706 -8.7706 -3.2416 -3.2416 -2.0069 -2.0069 -1.6126 -1.6126 -0.8094 -0.8094 -0.5205 -0.5205 -0.1931 -0.1931 0.3984 0.3984 0.9131 0.9131 2.1116 2.1116 2.4860 2.4860 2.6572 2.6572 2.8858 2.8858 3.1293 3.1293 3.5027 3.5027 3.8175 3.8175 4.5723 4.5723 5.0490 5.0490 5.1946 5.1946 12.4295 12.4295 12.5602 12.5602 12.9520 12.9520 13.5060 13.5060 13.6662 13.6662 k =-0.5000 0.3083 0.0652 ( 4206 PWs) bands (ev): -13.0272 -13.0272 -12.8176 -12.8176 -11.5676 -11.5676 -9.1194 -9.1194 -8.9668 -8.9668 -8.7695 -8.7695 -3.2729 -3.2729 -1.9771 -1.9771 -1.5803 -1.5803 -0.8061 -0.8061 -0.5282 -0.5282 -0.2333 -0.2333 0.3674 0.3674 0.9071 0.9071 2.1037 2.1037 2.4965 2.4965 2.6629 2.6629 2.8811 2.8811 3.1520 3.1520 3.5024 3.5024 3.8132 3.8132 4.5721 4.5721 5.0523 5.0523 5.2061 5.2061 12.4191 12.4191 12.5585 12.5585 12.9700 12.9700 13.4943 13.4943 13.6216 13.6216 k =-0.5000 0.3083 0.0489 ( 4202 PWs) bands (ev): -13.0283 -13.0283 -12.8170 -12.8170 -11.5747 -11.5747 -9.1213 -9.1213 -8.9487 -8.9487 -8.7687 -8.7687 -3.2975 -3.2975 -1.9527 -1.9527 -1.5542 -1.5542 -0.8035 -0.8035 -0.5341 -0.5341 -0.2660 -0.2660 0.3420 0.3420 0.9025 0.9025 2.0976 2.0976 2.5048 2.5048 2.6674 2.6674 2.8775 2.8775 3.1696 3.1696 3.5020 3.5020 3.8098 3.8098 4.5718 4.5718 5.0548 5.0548 5.2152 5.2152 12.4109 12.4109 12.5570 12.5570 12.9867 12.9867 13.4849 13.4849 13.5841 13.5841 k =-0.5000 0.3083 0.0326 ( 4206 PWs) bands (ev): -13.0291 -13.0291 -12.8166 -12.8166 -11.5797 -11.5797 -9.1226 -9.1226 -8.9357 -8.9357 -8.7681 -8.7681 -3.3152 -3.3152 -1.9345 -1.9345 -1.5348 -1.5348 -0.8017 -0.8017 -0.5383 -0.5383 -0.2901 -0.2901 0.3232 0.3232 0.8991 0.8991 2.0934 2.0934 2.5108 2.5108 2.6708 2.6708 2.8749 2.8749 3.1822 3.1822 3.5018 3.5018 3.8074 3.8074 4.5715 4.5715 5.0566 5.0566 5.2219 5.2219 12.4051 12.4051 12.5560 12.5560 13.0004 13.0004 13.4779 13.4779 13.5554 13.5554 k =-0.5000 0.3083 0.0163 ( 4198 PWs) bands (ev): -13.0295 -13.0295 -12.8164 -12.8164 -11.5828 -11.5828 -9.1233 -9.1233 -8.9278 -8.9278 -8.7677 -8.7677 -3.3259 -3.3259 -1.9232 -1.9232 -1.5230 -1.5230 -0.8006 -0.8006 -0.5409 -0.5409 -0.3050 -0.3050 0.3116 0.3116 0.8971 0.8971 2.0909 2.0909 2.5143 2.5143 2.6729 2.6729 2.8733 2.8733 3.1897 3.1897 3.5016 3.5016 3.8060 3.8060 4.5714 4.5714 5.0577 5.0577 5.2260 5.2260 12.4016 12.4016 12.5553 12.5553 13.0095 13.0095 13.4736 13.4736 13.5373 13.5373 k =-0.5000 0.3083 0.0000 ( 4202 PWs) bands (ev): -13.0297 -13.0297 -12.8163 -12.8163 -11.5838 -11.5838 -9.1236 -9.1236 -8.9252 -8.9252 -8.7676 -8.7676 -3.3295 -3.3295 -1.9194 -1.9194 -1.5190 -1.5190 -0.8002 -0.8002 -0.5417 -0.5417 -0.3100 -0.3100 0.3076 0.3076 0.8965 0.8965 2.0900 2.0900 2.5155 2.5155 2.6736 2.6736 2.8728 2.8728 3.1923 3.1923 3.5015 3.5015 3.8055 3.8055 4.5713 4.5713 5.0580 5.0580 5.2273 5.2273 12.4004 12.4004 12.5551 12.5551 13.0127 13.0127 13.4721 13.4721 13.5311 13.5311 k = 0.0000 0.0000 0.5382 ( 4228 PWs) bands (ev): -13.0969 -13.0969 -13.0969 -13.0969 -10.0777 -10.0777 -10.0777 -10.0777 -8.9002 -8.9002 -8.9002 -8.9002 -3.9035 -3.9035 -3.9035 -3.9035 -0.2611 -0.2611 -0.2611 -0.2611 0.0286 0.0286 0.0286 0.0286 0.7558 0.7558 0.7558 0.7558 2.0661 2.0661 2.0661 2.0661 2.8601 2.8601 2.8601 2.8601 3.7933 3.7933 3.7933 3.7933 4.1512 4.1512 4.1512 4.1512 5.4328 5.4328 5.4328 5.4328 11.5855 11.5855 11.5855 11.5855 12.2735 12.2735 12.2735 12.2735 13.2054 13.2054 k =-0.0139 0.0086 0.5382 ( 4226 PWs) bands (ev): -13.0966 -13.0966 -13.0966 -13.0966 -10.0786 -10.0786 -10.0786 -10.0786 -8.9002 -8.9002 -8.9001 -8.9001 -3.9020 -3.9020 -3.9017 -3.9017 -0.2651 -0.2651 -0.2645 -0.2645 0.0316 0.0316 0.0322 0.0322 0.7568 0.7568 0.7570 0.7570 2.0642 2.0642 2.0644 2.0644 2.8611 2.8611 2.8613 2.8613 3.7926 3.7926 3.7930 3.7930 4.1494 4.1494 4.1497 4.1497 5.4325 5.4325 5.4325 5.4325 11.5854 11.5854 11.5857 11.5857 12.2755 12.2755 12.2762 12.2762 13.2058 13.2058 k =-0.0278 0.0171 0.5382 ( 4234 PWs) bands (ev): -13.0957 -13.0957 -13.0956 -13.0956 -10.0815 -10.0815 -10.0813 -10.0813 -8.9002 -8.9002 -8.9000 -8.9000 -3.8971 -3.8971 -3.8966 -3.8966 -0.2759 -0.2759 -0.2748 -0.2748 0.0406 0.0406 0.0419 0.0419 0.7600 0.7600 0.7604 0.7604 2.0588 2.0588 2.0593 2.0593 2.8644 2.8644 2.8649 2.8649 3.7908 3.7908 3.7915 3.7915 4.1442 4.1442 4.1448 4.1448 5.4316 5.4316 5.4318 5.4318 11.5854 11.5854 11.5858 11.5858 12.2822 12.2822 12.2834 12.2834 13.2074 13.2074 k =-0.0417 0.0257 0.5382 ( 4232 PWs) bands (ev): -13.0941 -13.0941 -13.0940 -13.0940 -10.0861 -10.0861 -10.0859 -10.0859 -8.9002 -8.9002 -8.8998 -8.8998 -3.8888 -3.8888 -3.8881 -3.8881 -0.2924 -0.2924 -0.2910 -0.2910 0.0549 0.0549 0.0565 0.0565 0.7654 0.7654 0.7659 0.7659 2.0500 2.0500 2.0507 2.0507 2.8699 2.8699 2.8706 2.8706 3.7879 3.7879 3.7889 3.7889 4.1359 4.1359 4.1367 4.1367 5.4302 5.4302 5.4304 5.4304 11.5855 11.5855 11.5862 11.5862 12.2932 12.2932 12.2951 12.2951 13.2101 13.2101 k =-0.0556 0.0343 0.5382 ( 4228 PWs) bands (ev): -13.0919 -13.0919 -13.0918 -13.0918 -10.0926 -10.0926 -10.0923 -10.0923 -8.9001 -8.9001 -8.8996 -8.8996 -3.8772 -3.8772 -3.8763 -3.8763 -0.3136 -0.3136 -0.3119 -0.3119 0.0730 0.0730 0.0750 0.0750 0.7728 0.7728 0.7735 0.7735 2.0380 2.0380 2.0389 2.0389 2.8773 2.8773 2.8781 2.8781 3.7839 3.7839 3.7853 3.7853 4.1247 4.1247 4.1258 4.1258 5.4281 5.4281 5.4283 5.4283 11.5859 11.5859 11.5867 11.5867 12.3086 12.3086 12.3111 12.3111 13.2138 13.2138 k =-0.0694 0.0428 0.5382 ( 4240 PWs) bands (ev): -13.0891 -13.0891 -13.0889 -13.0889 -10.1008 -10.1008 -10.1005 -10.1005 -8.9001 -8.9001 -8.8994 -8.8994 -3.8624 -3.8624 -3.8612 -3.8612 -0.3382 -0.3382 -0.3364 -0.3364 0.0940 0.0940 0.0962 0.0962 0.7824 0.7824 0.7832 0.7832 2.0228 2.0228 2.0239 2.0239 2.8863 2.8863 2.8873 2.8873 3.7788 3.7788 3.7805 3.7805 4.1110 4.1110 4.1124 4.1124 5.4250 5.4250 5.4254 5.4254 11.5867 11.5867 11.5877 11.5877 12.3279 12.3279 12.3310 12.3310 13.2185 13.2185 k =-0.0833 0.0514 0.5382 ( 4240 PWs) bands (ev): -13.0857 -13.0857 -13.0855 -13.0855 -10.1106 -10.1106 -10.1103 -10.1103 -8.9000 -8.9000 -8.8992 -8.8992 -3.8444 -3.8444 -3.8430 -3.8430 -0.3656 -0.3656 -0.3636 -0.3636 0.1170 0.1170 0.1195 0.1195 0.7940 0.7940 0.7949 0.7949 2.0048 2.0048 2.0061 2.0061 2.8965 2.8965 2.8978 2.8978 3.7726 3.7726 3.7746 3.7746 4.0953 4.0953 4.0970 4.0970 5.4210 5.4210 5.4214 5.4214 11.5880 11.5880 11.5893 11.5893 12.3509 12.3509 12.3545 12.3545 13.2242 13.2242 k =-0.0972 0.0600 0.5382 ( 4242 PWs) bands (ev): -13.0817 -13.0817 -13.0815 -13.0815 -10.1220 -10.1220 -10.1217 -10.1217 -8.8999 -8.8999 -8.8991 -8.8991 -3.8233 -3.8233 -3.8216 -3.8216 -0.3951 -0.3951 -0.3930 -0.3930 0.1416 0.1416 0.1442 0.1442 0.8075 0.8075 0.8086 0.8086 1.9841 1.9841 1.9855 1.9855 2.9076 2.9076 2.9091 2.9091 3.7652 3.7652 3.7676 3.7676 4.0781 4.0781 4.0800 4.0800 5.4158 5.4158 5.4162 5.4162 11.5902 11.5902 11.5915 11.5915 12.3771 12.3771 12.3814 12.3814 13.2307 13.2308 k =-0.1111 0.0685 0.5382 ( 4240 PWs) bands (ev): -13.0771 -13.0771 -13.0769 -13.0769 -10.1349 -10.1349 -10.1345 -10.1345 -8.8998 -8.8998 -8.8989 -8.8989 -3.7991 -3.7991 -3.7972 -3.7972 -0.4264 -0.4264 -0.4243 -0.4243 0.1673 0.1673 0.1700 0.1700 0.8230 0.8230 0.8242 0.8242 1.9608 1.9608 1.9625 1.9625 2.9192 2.9192 2.9209 2.9209 3.7567 3.7567 3.7595 3.7595 4.0599 4.0599 4.0620 4.0620 5.4092 5.4092 5.4096 5.4096 11.5932 11.5932 11.5947 11.5947 12.4063 12.4063 12.4111 12.4111 13.2381 13.2381 k =-0.1250 0.0771 0.5382 ( 4254 PWs) bands (ev): -13.0720 -13.0720 -13.0718 -13.0718 -10.1492 -10.1492 -10.1487 -10.1487 -8.8998 -8.8998 -8.8988 -8.8988 -3.7719 -3.7719 -3.7699 -3.7699 -0.4592 -0.4592 -0.4570 -0.4570 0.1939 0.1939 0.1966 0.1966 0.8403 0.8403 0.8416 0.8416 1.9353 1.9353 1.9372 1.9372 2.9308 2.9308 2.9326 2.9326 3.7471 3.7471 3.7503 3.7503 4.0413 4.0413 4.0437 4.0437 5.4011 5.4011 5.4014 5.4014 11.5971 11.5971 11.5987 11.5987 12.4381 12.4381 12.4434 12.4434 13.2464 13.2464 k =-0.1389 0.0857 0.5382 ( 4262 PWs) bands (ev): -13.0664 -13.0664 -13.0662 -13.0662 -10.1647 -10.1647 -10.1642 -10.1642 -8.8999 -8.8999 -8.8988 -8.8988 -3.7419 -3.7419 -3.7397 -3.7397 -0.4932 -0.4932 -0.4910 -0.4910 0.2211 0.2211 0.2239 0.2239 0.8594 0.8594 0.8609 0.8609 1.9077 1.9077 1.9097 1.9097 2.9419 2.9419 2.9439 2.9439 3.7364 3.7364 3.7399 3.7399 4.0231 4.0231 4.0257 4.0257 5.3913 5.3913 5.3917 5.3917 11.6021 11.6021 11.6038 11.6038 12.4720 12.4720 12.4778 12.4778 13.2554 13.2554 k =-0.1528 0.0942 0.5382 ( 4266 PWs) bands (ev): -13.0604 -13.0604 -13.0601 -13.0601 -10.1813 -10.1813 -10.1808 -10.1808 -8.8999 -8.8999 -8.8988 -8.8988 -3.7092 -3.7092 -3.7068 -3.7068 -0.5283 -0.5283 -0.5261 -0.5261 0.2487 0.2487 0.2516 0.2516 0.8803 0.8803 0.8818 0.8818 1.8783 1.8783 1.8804 1.8804 2.9521 2.9521 2.9543 2.9543 3.7247 3.7247 3.7285 3.7285 4.0057 4.0057 4.0085 4.0085 5.3799 5.3799 5.3802 5.3802 11.6081 11.6081 11.6099 11.6099 12.5076 12.5076 12.5140 12.5140 13.2652 13.2653 k =-0.1667 0.1028 0.5382 ( 4274 PWs) bands (ev): -13.0539 -13.0539 -13.0536 -13.0536 -10.1989 -10.1989 -10.1983 -10.1983 -8.9001 -8.9001 -8.8989 -8.8989 -3.6739 -3.6739 -3.6714 -3.6714 -0.5644 -0.5644 -0.5622 -0.5622 0.2766 0.2766 0.2796 0.2796 0.9029 0.9029 0.9045 0.9045 1.8471 1.8471 1.8494 1.8494 2.9609 2.9609 2.9634 2.9634 3.7119 3.7119 3.7161 3.7161 3.9899 3.9899 3.9928 3.9928 5.3666 5.3666 5.3669 5.3669 11.6152 11.6152 11.6170 11.6170 12.5447 12.5447 12.5515 12.5515 13.2760 13.2760 k =-0.1806 0.1113 0.5382 ( 4274 PWs) bands (ev): -13.0470 -13.0470 -13.0467 -13.0467 -10.2173 -10.2173 -10.2167 -10.2167 -8.9003 -8.9003 -8.8991 -8.8991 -3.6362 -3.6362 -3.6335 -3.6335 -0.6014 -0.6014 -0.5991 -0.5991 0.3047 0.3047 0.3077 0.3077 0.9270 0.9270 0.9287 0.9287 1.8144 1.8144 1.8169 1.8169 2.9680 2.9680 2.9706 2.9706 3.6982 3.6982 3.7026 3.7026 3.9761 3.9761 3.9791 3.9791 5.3514 5.3514 5.3517 5.3517 11.6233 11.6233 11.6252 11.6252 12.5826 12.5826 12.5900 12.5900 13.2878 13.2878 k =-0.1944 0.1199 0.5382 ( 4270 PWs) bands (ev): -13.0398 -13.0398 -13.0394 -13.0394 -10.2364 -10.2364 -10.2358 -10.2358 -8.9006 -8.9006 -8.8994 -8.8994 -3.5962 -3.5962 -3.5933 -3.5933 -0.6393 -0.6393 -0.6369 -0.6369 0.3329 0.3329 0.3359 0.3359 0.9527 0.9527 0.9545 0.9545 1.7804 1.7804 1.7830 1.7830 2.9729 2.9729 2.9757 2.9757 3.6836 3.6836 3.6883 3.6883 3.9649 3.9649 3.9678 3.9678 5.3345 5.3345 5.3348 5.3348 11.6323 11.6323 11.6342 11.6342 12.6211 12.6211 12.6289 12.6289 13.3008 13.3008 k =-0.2083 0.1285 0.5382 ( 4276 PWs) bands (ev): -13.0322 -13.0322 -13.0318 -13.0318 -10.2561 -10.2561 -10.2555 -10.2555 -8.9010 -8.9010 -8.8998 -8.8998 -3.5540 -3.5540 -3.5511 -3.5511 -0.6778 -0.6778 -0.6755 -0.6755 0.3610 0.3610 0.3641 0.3641 0.9799 0.9799 0.9818 0.9818 1.7453 1.7453 1.7481 1.7481 2.9754 2.9754 2.9783 2.9783 3.6683 3.6683 3.6731 3.6731 3.9565 3.9565 3.9594 3.9594 5.3157 5.3157 5.3162 5.3162 11.6422 11.6422 11.6442 11.6442 12.6595 12.6595 12.6678 12.6678 13.3153 13.3153 k =-0.2222 0.1370 0.5382 ( 4276 PWs) bands (ev): -13.0244 -13.0244 -13.0240 -13.0240 -10.2761 -10.2761 -10.2755 -10.2755 -8.9015 -8.9015 -8.9003 -8.9003 -3.5099 -3.5099 -3.5069 -3.5069 -0.7170 -0.7170 -0.7146 -0.7146 0.3890 0.3890 0.3920 0.3920 1.0083 1.0083 1.0103 1.0103 1.7094 1.7094 1.7123 1.7123 2.9752 2.9752 2.9782 2.9782 3.6522 3.6522 3.6572 3.6572 3.9513 3.9513 3.9541 3.9541 5.2952 5.2952 5.2958 5.2958 11.6529 11.6529 11.6549 11.6549 12.6976 12.6976 12.7062 12.7062 13.3314 13.3314 k =-0.2361 0.1456 0.5382 ( 4260 PWs) bands (ev): -13.0164 -13.0164 -13.0160 -13.0160 -10.2964 -10.2964 -10.2958 -10.2958 -8.9021 -8.9021 -8.9008 -8.9008 -3.4641 -3.4641 -3.4609 -3.4609 -0.7568 -0.7568 -0.7544 -0.7544 0.4166 0.4166 0.4197 0.4197 1.0380 1.0380 1.0401 1.0401 1.6729 1.6729 1.6760 1.6760 2.9722 2.9722 2.9753 2.9753 3.6357 3.6357 3.6407 3.6407 3.9495 3.9495 3.9521 3.9521 5.2732 5.2732 5.2739 5.2739 11.6641 11.6641 11.6662 11.6662 12.7347 12.7347 12.7437 12.7437 13.3495 13.3495 k =-0.2500 0.1542 0.5382 ( 4264 PWs) bands (ev): -13.0082 -13.0082 -13.0078 -13.0078 -10.3168 -10.3168 -10.3162 -10.3162 -8.9027 -8.9027 -8.9015 -8.9015 -3.4167 -3.4167 -3.4135 -3.4135 -0.7971 -0.7971 -0.7947 -0.7947 0.4439 0.4439 0.4470 0.4470 1.0685 1.0685 1.0707 1.0707 1.6362 1.6362 1.6394 1.6394 2.9663 2.9663 2.9695 2.9695 3.6186 3.6186 3.6236 3.6236 3.9510 3.9510 3.9535 3.9535 5.2497 5.2497 5.2505 5.2505 11.6759 11.6759 11.6780 11.6780 12.7704 12.7704 12.7797 12.7797 13.3698 13.3698 k =-0.2639 0.1627 0.5382 ( 4260 PWs) bands (ev): -13.0000 -13.0000 -12.9996 -12.9996 -10.3372 -10.3372 -10.3366 -10.3366 -8.9034 -8.9034 -8.9022 -8.9022 -3.3680 -3.3680 -3.3647 -3.3647 -0.8378 -0.8378 -0.8354 -0.8354 0.4707 0.4707 0.4738 0.4738 1.0997 1.0997 1.1020 1.1020 1.5997 1.5997 1.6030 1.6030 2.9577 2.9577 2.9609 2.9609 3.6010 3.6010 3.6061 3.6061 3.9558 3.9558 3.9583 3.9583 5.2249 5.2249 5.2259 5.2259 11.6880 11.6880 11.6901 11.6901 12.8042 12.8042 12.8139 12.8139 13.3927 13.3927 k =-0.2778 0.1713 0.5382 ( 4260 PWs) bands (ev): -12.9917 -12.9917 -12.9913 -12.9913 -10.3574 -10.3574 -10.3568 -10.3568 -8.9042 -8.9042 -8.9030 -8.9030 -3.3183 -3.3183 -3.3150 -3.3150 -0.8789 -0.8789 -0.8765 -0.8765 0.4970 0.4970 0.5001 0.5001 1.1310 1.1310 1.1335 1.1335 1.5639 1.5639 1.5674 1.5674 2.9465 2.9465 2.9497 2.9497 3.5832 3.5832 3.5882 3.5882 3.9638 3.9638 3.9661 3.9661 5.1991 5.1991 5.2001 5.2001 11.7004 11.7004 11.7025 11.7025 12.8359 12.8359 12.8457 12.8457 13.4182 13.4182 k =-0.2917 0.1799 0.5382 ( 4252 PWs) bands (ev): -12.9835 -12.9835 -12.9831 -12.9831 -10.3772 -10.3772 -10.3766 -10.3766 -8.9050 -8.9050 -8.9039 -8.9039 -3.2678 -3.2678 -3.2644 -3.2644 -0.9201 -0.9201 -0.9178 -0.9178 0.5227 0.5227 0.5259 0.5259 1.1615 1.1615 1.1642 1.1642 1.5298 1.5298 1.5334 1.5334 2.9330 2.9330 2.9361 2.9361 3.5652 3.5652 3.5700 3.5700 3.9746 3.9746 3.9769 3.9769 5.1723 5.1723 5.1734 5.1734 11.7128 11.7128 11.7149 11.7149 12.8652 12.8652 12.8751 12.8751 13.4464 13.4464 k =-0.3056 0.1884 0.5382 ( 4254 PWs) bands (ev): -12.9753 -12.9753 -12.9749 -12.9749 -10.3965 -10.3965 -10.3960 -10.3960 -8.9058 -8.9058 -8.9048 -8.9048 -3.2168 -3.2168 -3.2134 -3.2134 -0.9615 -0.9615 -0.9592 -0.9592 0.5478 0.5478 0.5509 0.5509 1.1901 1.1901 1.1930 1.1930 1.4985 1.4985 1.5023 1.5023 2.9174 2.9174 2.9205 2.9205 3.5470 3.5470 3.5518 3.5518 3.9880 3.9880 3.9902 3.9902 5.1448 5.1448 5.1461 5.1461 11.7252 11.7252 11.7273 11.7273 12.8919 12.8919 12.9018 12.9018 13.4771 13.4771 k =-0.3194 0.1970 0.5382 ( 4250 PWs) bands (ev): -12.9673 -12.9673 -12.9670 -12.9670 -10.4152 -10.4152 -10.4147 -10.4147 -8.9067 -8.9067 -8.9057 -8.9057 -3.1656 -3.1656 -3.1623 -3.1623 -1.0028 -1.0028 -1.0005 -1.0005 0.5723 0.5723 0.5754 0.5754 1.2145 1.2145 1.2177 1.2177 1.4723 1.4723 1.4763 1.4763 2.9002 2.9002 2.9032 2.9032 3.5290 3.5290 3.5336 3.5336 4.0036 4.0036 4.0057 4.0057 5.1169 5.1169 5.1183 5.1183 11.7374 11.7374 11.7395 11.7395 12.9161 12.9161 12.9259 12.9259 13.5100 13.5100 k =-0.3333 0.2056 0.5382 ( 4254 PWs) bands (ev): -12.9596 -12.9596 -12.9593 -12.9593 -10.4332 -10.4332 -10.4327 -10.4327 -8.9076 -8.9076 -8.9066 -8.9066 -3.1146 -3.1146 -3.1113 -3.1113 -1.0438 -1.0438 -1.0415 -1.0415 0.5960 0.5960 0.5991 0.5991 1.2314 1.2314 1.2348 1.2348 1.4545 1.4545 1.4585 1.4585 2.8816 2.8816 2.8844 2.8844 3.5112 3.5112 3.5155 3.5155 4.0209 4.0209 4.0230 4.0230 5.0889 5.0889 5.0903 5.0903 11.7493 11.7493 11.7513 11.7513 12.9379 12.9379 12.9476 12.9476 13.5445 13.5445 k =-0.3472 0.2141 0.5382 ( 4254 PWs) bands (ev): -12.9522 -12.9522 -12.9518 -12.9518 -10.4503 -10.4503 -10.4498 -10.4498 -8.9084 -8.9084 -8.9075 -8.9075 -3.0642 -3.0642 -3.0610 -3.0610 -1.0844 -1.0844 -1.0821 -1.0821 0.6192 0.6192 0.6222 0.6222 1.2370 1.2370 1.2405 1.2405 1.4491 1.4491 1.4528 1.4528 2.8619 2.8619 2.8646 2.8646 3.4938 3.4938 3.4979 3.4979 4.0396 4.0396 4.0416 4.0416 5.0609 5.0609 5.0624 5.0624 11.7608 11.7608 11.7627 11.7627 12.9576 12.9576 12.9669 12.9669 13.5799 13.5799 k =-0.3611 0.2227 0.5382 ( 4256 PWs) bands (ev): -12.9451 -12.9451 -12.9448 -12.9448 -10.4663 -10.4663 -10.4658 -10.4658 -8.9093 -8.9093 -8.9084 -8.9084 -3.0149 -3.0149 -3.0118 -3.0118 -1.1241 -1.1241 -1.1218 -1.1218 0.6416 0.6416 0.6446 0.6446 1.2300 1.2300 1.2333 1.2333 1.4570 1.4570 1.4602 1.4602 2.8417 2.8417 2.8442 2.8442 3.4770 3.4770 3.4808 3.4808 4.0591 4.0591 4.0611 4.0611 5.0333 5.0333 5.0348 5.0348 11.7717 11.7717 11.7736 11.7736 12.9753 12.9753 12.9842 12.9842 13.6154 13.6154 k =-0.3750 0.2313 0.5382 ( 4260 PWs) bands (ev): -12.9385 -12.9385 -12.9382 -12.9382 -10.4812 -10.4812 -10.4808 -10.4808 -8.9101 -8.9101 -8.9093 -8.9093 -2.9671 -2.9671 -2.9642 -2.9642 -1.1626 -1.1626 -1.1605 -1.1605 0.6633 0.6633 0.6663 0.6663 1.2133 1.2133 1.2164 1.2164 1.4750 1.4750 1.4777 1.4777 2.8211 2.8211 2.8235 2.8235 3.4610 3.4610 3.4646 3.4646 4.0791 4.0791 4.0811 4.0811 5.0064 5.0064 5.0079 5.0079 11.7819 11.7819 11.7837 11.7837 12.9912 12.9912 12.9997 12.9997 13.6501 13.6501 k =-0.3889 0.2398 0.5382 ( 4252 PWs) bands (ev): -12.9323 -12.9323 -12.9321 -12.9321 -10.4949 -10.4949 -10.4945 -10.4945 -8.9108 -8.9108 -8.9102 -8.9102 -2.9215 -2.9215 -2.9187 -2.9187 -1.1995 -1.1995 -1.1975 -1.1975 0.6843 0.6843 0.6872 0.6872 1.1910 1.1910 1.1940 1.1940 1.4987 1.4987 1.5009 1.5009 2.8007 2.8007 2.8029 2.8029 3.4461 3.4461 3.4493 3.4493 4.0991 4.0991 4.1010 4.1010 4.9805 4.9805 4.9820 4.9820 11.7914 11.7914 11.7930 11.7930 13.0057 13.0057 13.0136 13.0136 13.6828 13.6828 k =-0.4028 0.2484 0.5382 ( 4244 PWs) bands (ev): -12.9268 -12.9268 -12.9265 -12.9265 -10.5072 -10.5072 -10.5068 -10.5068 -8.9115 -8.9115 -8.9109 -8.9109 -2.8786 -2.8786 -2.8760 -2.8760 -1.2344 -1.2344 -1.2325 -1.2325 0.7044 0.7044 0.7072 0.7072 1.1664 1.1664 1.1692 1.1692 1.5246 1.5246 1.5265 1.5265 2.7810 2.7810 2.7829 2.7829 3.4324 3.4324 3.4353 3.4353 4.1186 4.1186 4.1203 4.1203 4.9561 4.9561 4.9576 4.9576 11.8000 11.8000 11.8015 11.8015 13.0187 13.0187 13.0259 13.0259 13.7124 13.7124 k =-0.4167 0.2570 0.5382 ( 4244 PWs) bands (ev): -12.9218 -12.9218 -12.9216 -12.9216 -10.5180 -10.5180 -10.5177 -10.5177 -8.9122 -8.9122 -8.9116 -8.9116 -2.8391 -2.8391 -2.8367 -2.8367 -1.2666 -1.2666 -1.2648 -1.2648 0.7236 0.7236 0.7263 0.7263 1.1415 1.1415 1.1441 1.1441 1.5504 1.5504 1.5520 1.5520 2.7623 2.7623 2.7640 2.7640 3.4202 3.4202 3.4227 3.4227 4.1371 4.1371 4.1387 4.1387 4.9335 4.9335 4.9349 4.9349 11.8076 11.8076 11.8090 11.8090 13.0303 13.0303 13.0367 13.0367 13.7380 13.7380 k =-0.4306 0.2655 0.5382 ( 4238 PWs) bands (ev): -12.9175 -12.9175 -12.9173 -12.9173 -10.5274 -10.5274 -10.5271 -10.5271 -8.9127 -8.9127 -8.9123 -8.9123 -2.8037 -2.8037 -2.8017 -2.8017 -1.2954 -1.2954 -1.2939 -1.2939 0.7416 0.7416 0.7441 0.7441 1.1176 1.1176 1.1200 1.1200 1.5746 1.5746 1.5759 1.5759 2.7452 2.7452 2.7467 2.7467 3.4095 3.4095 3.4116 3.4116 4.1541 4.1541 4.1555 4.1555 4.9133 4.9133 4.9145 4.9145 11.8143 11.8143 11.8154 11.8154 13.0405 13.0405 13.0460 13.0460 13.7586 13.7586 k =-0.4444 0.2741 0.5382 ( 4238 PWs) bands (ev): -12.9139 -12.9139 -12.9138 -12.9138 -10.5351 -10.5351 -10.5349 -10.5349 -8.9131 -8.9131 -8.9128 -8.9128 -2.7733 -2.7733 -2.7716 -2.7716 -1.3204 -1.3204 -1.3191 -1.3191 0.7580 0.7580 0.7603 0.7603 1.0958 1.0958 1.0980 1.0980 1.5960 1.5960 1.5971 1.5971 2.7302 2.7302 2.7314 2.7314 3.4006 3.4006 3.4023 3.4023 4.1691 4.1691 4.1702 4.1702 4.8958 4.8958 4.8968 4.8968 11.8198 11.8198 11.8207 11.8207 13.0492 13.0492 13.0538 13.0538 13.7738 13.7738 k =-0.4583 0.2826 0.5382 ( 4238 PWs) bands (ev): -12.9111 -12.9111 -12.9110 -12.9110 -10.5412 -10.5412 -10.5410 -10.5410 -8.9135 -8.9135 -8.9132 -8.9132 -2.7486 -2.7486 -2.7473 -2.7473 -1.3406 -1.3406 -1.3396 -1.3396 0.7723 0.7723 0.7742 0.7742 1.0772 1.0772 1.0790 1.0790 1.6137 1.6137 1.6146 1.6146 2.7179 2.7179 2.7188 2.7188 3.3936 3.3936 3.3949 3.3949 4.1814 4.1814 4.1823 4.1823 4.8816 4.8816 4.8824 4.8824 11.8242 11.8242 11.8249 11.8249 13.0564 13.0564 13.0599 13.0599 13.7839 13.7839 k =-0.4722 0.2912 0.5382 ( 4242 PWs) bands (ev): -12.9091 -12.9091 -12.9090 -12.9090 -10.5456 -10.5456 -10.5454 -10.5454 -8.9137 -8.9137 -8.9136 -8.9136 -2.7303 -2.7303 -2.7294 -2.7294 -1.3556 -1.3556 -1.3549 -1.3549 0.7837 0.7837 0.7850 0.7850 1.0628 1.0628 1.0641 1.0641 1.6270 1.6270 1.6276 1.6276 2.7087 2.7087 2.7094 2.7094 3.3886 3.3886 3.3894 3.3894 4.1907 4.1907 4.1914 4.1914 4.8711 4.8711 4.8716 4.8716 11.8274 11.8274 11.8279 11.8279 13.0618 13.0618 13.0642 13.0642 13.7900 13.7900 k =-0.4861 0.2998 0.5382 ( 4250 PWs) bands (ev): -12.9078 -12.9078 -12.9078 -12.9078 -10.5482 -10.5482 -10.5481 -10.5481 -8.9139 -8.9139 -8.9138 -8.9138 -2.7190 -2.7190 -2.7185 -2.7185 -1.3647 -1.3647 -1.3644 -1.3644 0.7912 0.7912 0.7919 0.7919 1.0537 1.0537 1.0544 1.0544 1.6353 1.6353 1.6355 1.6355 2.7031 2.7031 2.7035 2.7035 3.3856 3.3856 3.3861 3.3861 4.1966 4.1966 4.1969 4.1969 4.8647 4.8647 4.8650 4.8650 11.8294 11.8294 11.8296 11.8296 13.0653 13.0653 13.0665 13.0665 13.7933 13.7933 k =-0.5000 0.3083 0.5382 ( 4256 PWs) bands (ev): -12.9074 -12.9074 -12.9074 -12.9074 -10.5490 -10.5490 -10.5490 -10.5490 -8.9139 -8.9139 -8.9139 -8.9139 -2.7150 -2.7150 -2.7150 -2.7150 -1.3677 -1.3677 -1.3677 -1.3677 0.7940 0.7940 0.7940 0.7940 1.0508 1.0508 1.0508 1.0508 1.6381 1.6381 1.6381 1.6381 2.7013 2.7013 2.7013 2.7013 3.3848 3.3848 3.3848 3.3848 4.1986 4.1986 4.1986 4.1986 4.8626 4.8626 4.8626 4.8626 11.8301 11.8301 11.8301 11.8301 13.0669 13.0669 13.0669 13.0669 13.7949 13.7949 Writing output data file Si2N2O.save init_run : 4.25s CPU 13.84s WALL ( 1 calls) electrons : 1292.63s CPU 1304.76s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.67s CPU 1.49s WALL ( 1 calls) Called by electrons: c_bands : 1292.57s CPU 1304.52s WALL ( 1 calls) v_of_rho : 0.30s CPU 0.95s WALL ( 1 calls) v_h : 0.04s CPU 0.06s WALL ( 1 calls) v_xc : 0.26s CPU 0.60s WALL ( 1 calls) newd : 0.48s CPU 0.64s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.22s WALL ( 374 calls) cegterg : 1195.59s CPU 1202.76s WALL ( 1234 calls) Called by sum_band: Called by *egterg: h_psi : 419.38s CPU 432.77s WALL ( 23793 calls) s_psi : 68.15s CPU 68.39s WALL ( 23793 calls) g_psi : 0.97s CPU 1.08s WALL ( 22185 calls) cdiaghg : 550.43s CPU 544.80s WALL ( 22559 calls) cegterg:over : 87.06s CPU 83.19s WALL ( 22185 calls) cegterg:upda : 20.92s CPU 27.27s WALL ( 22185 calls) cegterg:last : 16.00s CPU 17.08s WALL ( 2728 calls) Called by h_psi: h_psi:vloc : 279.73s CPU 290.65s WALL ( 23793 calls) h_psi:vnl : 139.10s CPU 140.85s WALL ( 23793 calls) add_vuspsi : 50.65s CPU 57.82s WALL ( 23793 calls) General routines calbec : 88.38s CPU 82.88s WALL ( 23793 calls) fft : 0.37s CPU 1.29s WALL ( 19 calls) ffts : 0.01s CPU 0.02s WALL ( 4 calls) fftw : 261.56s CPU 269.00s WALL ( 1818100 calls) interpolate : 0.05s CPU 0.08s WALL ( 4 calls) davcio : 0.04s CPU 6.12s WALL ( 748 calls) Parallel routines fft_scatter : 162.11s CPU 167.52s WALL ( 1818123 calls) PWSCF : 23m 4.60s CPU 26m26.46s WALL This run was terminated on: 17:40:33 24Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=