Program PWSCF v.5.1.1 starts on 24Nov2015 at 12:19:29 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 1618 708 111 Max 47 27 8 1623 721 116 Sum 2239 1295 379 77767 34361 5443 bravais-lattice index = 14 lattice parameter (alat) = 9.8298 a.u. unit-cell volume = 788.6687 (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)= 9.829796 celldm(2)= 1.000000 celldm(3)= 0.928926 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.448304 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.448304 0.893881 0.000000 ) a(3) = ( 0.000000 0.000000 0.928926 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.501525 -0.000000 ) b(2) = ( 0.000000 1.118717 -0.000000 ) b(3) = ( 0.000000 0.000000 1.076512 ) 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 ) ( 0.4644632 ) 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) = ( 0.0086308 0.0139840 -0.0000000), wk = 0.0026738 k( 3) = ( 0.0172616 0.0279679 -0.0000000), wk = 0.0026738 k( 4) = ( 0.0258924 0.0419519 -0.0000000), wk = 0.0026738 k( 5) = ( 0.0345232 0.0559358 -0.0000000), wk = 0.0026738 k( 6) = ( 0.0431539 0.0699198 -0.0000000), wk = 0.0026738 k( 7) = ( 0.0517847 0.0839038 -0.0000000), wk = 0.0026738 k( 8) = ( 0.0604155 0.0978877 -0.0000000), wk = 0.0026738 k( 9) = ( 0.0690463 0.1118717 -0.0000000), wk = 0.0026738 k( 10) = ( 0.0776771 0.1258556 -0.0000000), wk = 0.0026738 k( 11) = ( 0.0863079 0.1398396 -0.0000000), wk = 0.0026738 k( 12) = ( 0.0949386 0.1538235 -0.0000000), wk = 0.0026738 k( 13) = ( 0.1035694 0.1678075 -0.0000000), wk = 0.0026738 k( 14) = ( 0.1122002 0.1817915 -0.0000000), wk = 0.0026738 k( 15) = ( 0.1208310 0.1957754 -0.0000000), wk = 0.0026738 k( 16) = ( 0.1294618 0.2097594 -0.0000000), wk = 0.0026738 k( 17) = ( 0.1380926 0.2237434 -0.0000000), wk = 0.0026738 k( 18) = ( 0.1467234 0.2377273 -0.0000000), wk = 0.0026738 k( 19) = ( 0.1553542 0.2517113 -0.0000000), wk = 0.0026738 k( 20) = ( 0.1639849 0.2656952 -0.0000000), wk = 0.0026738 k( 21) = ( 0.1726157 0.2796792 -0.0000000), wk = 0.0026738 k( 22) = ( 0.1812465 0.2936631 -0.0000000), wk = 0.0026738 k( 23) = ( 0.1898773 0.3076471 -0.0000000), wk = 0.0026738 k( 24) = ( 0.1985081 0.3216311 -0.0000000), wk = 0.0026738 k( 25) = ( 0.2071389 0.3356150 -0.0000000), wk = 0.0026738 k( 26) = ( 0.2157697 0.3495990 -0.0000000), wk = 0.0026738 k( 27) = ( 0.2244005 0.3635829 -0.0000000), wk = 0.0026738 k( 28) = ( 0.2330312 0.3775669 -0.0000000), wk = 0.0026738 k( 29) = ( 0.2416620 0.3915509 -0.0000000), wk = 0.0026738 k( 30) = ( 0.2502928 0.4055348 -0.0000000), wk = 0.0026738 k( 31) = ( 0.2589236 0.4195188 -0.0000000), wk = 0.0026738 k( 32) = ( 0.2675544 0.4335027 -0.0000000), wk = 0.0026738 k( 33) = ( 0.2761852 0.4474867 -0.0000000), wk = 0.0026738 k( 34) = ( 0.2848160 0.4614707 -0.0000000), wk = 0.0026738 k( 35) = ( 0.2934467 0.4754546 -0.0000000), wk = 0.0026738 k( 36) = ( 0.3020775 0.4894386 -0.0000000), wk = 0.0026738 k( 37) = ( 0.3107083 0.5034225 -0.0000000), wk = 0.0026738 k( 38) = ( 0.3193391 0.5174065 -0.0000000), wk = 0.0026738 k( 39) = ( 0.3279699 0.5313905 -0.0000000), wk = 0.0026738 k( 40) = ( 0.3366007 0.5453744 -0.0000000), wk = 0.0026738 k( 41) = ( 0.3452315 0.5593584 -0.0000000), wk = 0.0026738 k( 42) = ( 0.3452315 0.5593584 -0.0000000), wk = 0.0026738 k( 43) = ( 0.3287919 0.5593584 -0.0000000), wk = 0.0026738 k( 44) = ( 0.3123523 0.5593584 -0.0000000), wk = 0.0026738 k( 45) = ( 0.2959127 0.5593584 -0.0000000), wk = 0.0026738 k( 46) = ( 0.2794731 0.5593584 -0.0000000), wk = 0.0026738 k( 47) = ( 0.2630335 0.5593584 -0.0000000), wk = 0.0026738 k( 48) = ( 0.2465939 0.5593584 -0.0000000), wk = 0.0026738 k( 49) = ( 0.2301543 0.5593584 -0.0000000), wk = 0.0026738 k( 50) = ( 0.2137147 0.5593584 -0.0000000), wk = 0.0026738 k( 51) = ( 0.1972751 0.5593584 -0.0000000), wk = 0.0026738 k( 52) = ( 0.1808355 0.5593584 -0.0000000), wk = 0.0026738 k( 53) = ( 0.1643959 0.5593584 -0.0000000), wk = 0.0026738 k( 54) = ( 0.1479563 0.5593584 -0.0000000), wk = 0.0026738 k( 55) = ( 0.1315167 0.5593584 -0.0000000), wk = 0.0026738 k( 56) = ( 0.1150772 0.5593584 -0.0000000), wk = 0.0026738 k( 57) = ( 0.0986376 0.5593584 -0.0000000), wk = 0.0026738 k( 58) = ( 0.0821980 0.5593584 -0.0000000), wk = 0.0026738 k( 59) = ( 0.0657584 0.5593584 -0.0000000), wk = 0.0026738 k( 60) = ( 0.0493188 0.5593584 -0.0000000), wk = 0.0026738 k( 61) = ( 0.0328792 0.5593584 -0.0000000), wk = 0.0026738 k( 62) = ( 0.0164396 0.5593584 -0.0000000), wk = 0.0026738 k( 63) = ( 0.0000000 0.5593584 -0.0000000), wk = 0.0026738 k( 64) = ( 0.0000000 0.5593584 -0.0000000), wk = 0.0026738 k( 65) = ( 0.0000000 0.5593584 0.0163108), wk = 0.0026738 k( 66) = ( 0.0000000 0.5593584 0.0326216), wk = 0.0026738 k( 67) = ( 0.0000000 0.5593584 0.0489324), wk = 0.0026738 k( 68) = ( 0.0000000 0.5593584 0.0652431), wk = 0.0026738 k( 69) = ( 0.0000000 0.5593584 0.0815539), wk = 0.0026738 k( 70) = ( 0.0000000 0.5593584 0.0978647), wk = 0.0026738 k( 71) = ( 0.0000000 0.5593584 0.1141755), wk = 0.0026738 k( 72) = ( 0.0000000 0.5593584 0.1304863), wk = 0.0026738 k( 73) = ( 0.0000000 0.5593584 0.1467970), wk = 0.0026738 k( 74) = ( 0.0000000 0.5593584 0.1631078), wk = 0.0026738 k( 75) = ( 0.0000000 0.5593584 0.1794186), wk = 0.0026738 k( 76) = ( 0.0000000 0.5593584 0.1957294), wk = 0.0026738 k( 77) = ( 0.0000000 0.5593584 0.2120402), wk = 0.0026738 k( 78) = ( 0.0000000 0.5593584 0.2283509), wk = 0.0026738 k( 79) = ( 0.0000000 0.5593584 0.2446617), wk = 0.0026738 k( 80) = ( 0.0000000 0.5593584 0.2609725), wk = 0.0026738 k( 81) = ( 0.0000000 0.5593584 0.2772833), wk = 0.0026738 k( 82) = ( 0.0000000 0.5593584 0.2935941), wk = 0.0026738 k( 83) = ( 0.0000000 0.5593584 0.3099049), wk = 0.0026738 k( 84) = ( 0.0000000 0.5593584 0.3262156), wk = 0.0026738 k( 85) = ( 0.0000000 0.5593584 0.3425264), wk = 0.0026738 k( 86) = ( 0.0000000 0.5593584 0.3588372), wk = 0.0026738 k( 87) = ( 0.0000000 0.5593584 0.3751480), wk = 0.0026738 k( 88) = ( 0.0000000 0.5593584 0.3914588), wk = 0.0026738 k( 89) = ( 0.0000000 0.5593584 0.4077696), wk = 0.0026738 k( 90) = ( 0.0000000 0.5593584 0.4240803), wk = 0.0026738 k( 91) = ( 0.0000000 0.5593584 0.4403911), wk = 0.0026738 k( 92) = ( 0.0000000 0.5593584 0.4567019), wk = 0.0026738 k( 93) = ( 0.0000000 0.5593584 0.4730127), wk = 0.0026738 k( 94) = ( 0.0000000 0.5593584 0.4893235), wk = 0.0026738 k( 95) = ( 0.0000000 0.5593584 0.5056342), wk = 0.0026738 k( 96) = ( 0.0000000 0.5593584 0.5219450), wk = 0.0026738 k( 97) = ( 0.0000000 0.5593584 0.5382558), wk = 0.0026738 k( 98) = ( 0.0000000 0.5593584 0.5382558), wk = 0.0026738 k( 99) = ( 0.0164396 0.5593584 0.5382558), wk = 0.0026738 k( 100) = ( 0.0328792 0.5593584 0.5382558), wk = 0.0026738 k( 101) = ( 0.0493188 0.5593584 0.5382558), wk = 0.0026738 k( 102) = ( 0.0657584 0.5593584 0.5382558), wk = 0.0026738 k( 103) = ( 0.0821980 0.5593584 0.5382558), wk = 0.0026738 k( 104) = ( 0.0986376 0.5593584 0.5382558), wk = 0.0026738 k( 105) = ( 0.1150772 0.5593584 0.5382558), wk = 0.0026738 k( 106) = ( 0.1315167 0.5593584 0.5382558), wk = 0.0026738 k( 107) = ( 0.1479563 0.5593584 0.5382558), wk = 0.0026738 k( 108) = ( 0.1643959 0.5593584 0.5382558), wk = 0.0026738 k( 109) = ( 0.1808355 0.5593584 0.5382558), wk = 0.0026738 k( 110) = ( 0.1972751 0.5593584 0.5382558), wk = 0.0026738 k( 111) = ( 0.2137147 0.5593584 0.5382558), wk = 0.0026738 k( 112) = ( 0.2301543 0.5593584 0.5382558), wk = 0.0026738 k( 113) = ( 0.2465939 0.5593584 0.5382558), wk = 0.0026738 k( 114) = ( 0.2630335 0.5593584 0.5382558), wk = 0.0026738 k( 115) = ( 0.2794731 0.5593584 0.5382558), wk = 0.0026738 k( 116) = ( 0.2959127 0.5593584 0.5382558), wk = 0.0026738 k( 117) = ( 0.3123523 0.5593584 0.5382558), wk = 0.0026738 k( 118) = ( 0.3287919 0.5593584 0.5382558), wk = 0.0026738 k( 119) = ( 0.3452315 0.5593584 0.5382558), wk = 0.0026738 k( 120) = ( 0.3452315 0.5593584 0.5382558), wk = 0.0026738 k( 121) = ( 0.3366007 0.5453744 0.5382558), wk = 0.0026738 k( 122) = ( 0.3279699 0.5313905 0.5382558), wk = 0.0026738 k( 123) = ( 0.3193391 0.5174065 0.5382558), wk = 0.0026738 k( 124) = ( 0.3107083 0.5034225 0.5382558), wk = 0.0026738 k( 125) = ( 0.3020775 0.4894386 0.5382558), wk = 0.0026738 k( 126) = ( 0.2934467 0.4754546 0.5382558), wk = 0.0026738 k( 127) = ( 0.2848160 0.4614707 0.5382558), wk = 0.0026738 k( 128) = ( 0.2761852 0.4474867 0.5382558), wk = 0.0026738 k( 129) = ( 0.2675544 0.4335027 0.5382558), wk = 0.0026738 k( 130) = ( 0.2589236 0.4195188 0.5382558), wk = 0.0026738 k( 131) = ( 0.2502928 0.4055348 0.5382558), wk = 0.0026738 k( 132) = ( 0.2416620 0.3915509 0.5382558), wk = 0.0026738 k( 133) = ( 0.2330312 0.3775669 0.5382558), wk = 0.0026738 k( 134) = ( 0.2244005 0.3635829 0.5382558), wk = 0.0026738 k( 135) = ( 0.2157697 0.3495990 0.5382558), wk = 0.0026738 k( 136) = ( 0.2071389 0.3356150 0.5382558), wk = 0.0026738 k( 137) = ( 0.1985081 0.3216311 0.5382558), wk = 0.0026738 k( 138) = ( 0.1898773 0.3076471 0.5382558), wk = 0.0026738 k( 139) = ( 0.1812465 0.2936631 0.5382558), wk = 0.0026738 k( 140) = ( 0.1726157 0.2796792 0.5382558), wk = 0.0026738 k( 141) = ( 0.1639849 0.2656952 0.5382558), wk = 0.0026738 k( 142) = ( 0.1553542 0.2517113 0.5382558), wk = 0.0026738 k( 143) = ( 0.1467234 0.2377273 0.5382558), wk = 0.0026738 k( 144) = ( 0.1380926 0.2237434 0.5382558), wk = 0.0026738 k( 145) = ( 0.1294618 0.2097594 0.5382558), wk = 0.0026738 k( 146) = ( 0.1208310 0.1957754 0.5382558), wk = 0.0026738 k( 147) = ( 0.1122002 0.1817915 0.5382558), wk = 0.0026738 k( 148) = ( 0.1035694 0.1678075 0.5382558), wk = 0.0026738 k( 149) = ( 0.0949386 0.1538235 0.5382558), wk = 0.0026738 k( 150) = ( 0.0863079 0.1398396 0.5382558), wk = 0.0026738 k( 151) = ( 0.0776771 0.1258556 0.5382558), wk = 0.0026738 k( 152) = ( 0.0690463 0.1118717 0.5382558), wk = 0.0026738 k( 153) = ( 0.0604155 0.0978877 0.5382558), wk = 0.0026738 k( 154) = ( 0.0517847 0.0839038 0.5382558), wk = 0.0026738 k( 155) = ( 0.0431539 0.0699198 0.5382558), wk = 0.0026738 k( 156) = ( 0.0345232 0.0559358 0.5382558), wk = 0.0026738 k( 157) = ( 0.0258924 0.0419519 0.5382558), wk = 0.0026738 k( 158) = ( 0.0172616 0.0279679 0.5382558), wk = 0.0026738 k( 159) = ( 0.0086308 0.0139840 0.5382558), wk = 0.0026738 k( 160) = ( 0.0000000 0.0000000 0.5382558), wk = 0.0026738 k( 161) = ( 0.0000000 0.0000000 0.5382558), wk = 0.0026738 k( 162) = ( 0.0000000 0.0000000 0.5219450), wk = 0.0026738 k( 163) = ( 0.0000000 0.0000000 0.5056342), wk = 0.0026738 k( 164) = ( 0.0000000 0.0000000 0.4893235), wk = 0.0026738 k( 165) = ( 0.0000000 0.0000000 0.4730127), wk = 0.0026738 k( 166) = ( 0.0000000 0.0000000 0.4567019), wk = 0.0026738 k( 167) = ( 0.0000000 0.0000000 0.4403911), wk = 0.0026738 k( 168) = ( 0.0000000 0.0000000 0.4240803), wk = 0.0026738 k( 169) = ( 0.0000000 0.0000000 0.4077696), wk = 0.0026738 k( 170) = ( 0.0000000 0.0000000 0.3914588), wk = 0.0026738 k( 171) = ( 0.0000000 0.0000000 0.3751480), wk = 0.0026738 k( 172) = ( 0.0000000 0.0000000 0.3588372), wk = 0.0026738 k( 173) = ( 0.0000000 0.0000000 0.3425264), wk = 0.0026738 k( 174) = ( 0.0000000 0.0000000 0.3262156), wk = 0.0026738 k( 175) = ( 0.0000000 0.0000000 0.3099049), wk = 0.0026738 k( 176) = ( 0.0000000 0.0000000 0.2935941), wk = 0.0026738 k( 177) = ( 0.0000000 0.0000000 0.2772833), wk = 0.0026738 k( 178) = ( 0.0000000 0.0000000 0.2609725), wk = 0.0026738 k( 179) = ( 0.0000000 0.0000000 0.2446617), wk = 0.0026738 k( 180) = ( 0.0000000 0.0000000 0.2283509), wk = 0.0026738 k( 181) = ( 0.0000000 0.0000000 0.2120402), wk = 0.0026738 k( 182) = ( 0.0000000 0.0000000 0.1957294), wk = 0.0026738 k( 183) = ( 0.0000000 0.0000000 0.1794186), wk = 0.0026738 k( 184) = ( 0.0000000 0.0000000 0.1631078), wk = 0.0026738 k( 185) = ( 0.0000000 0.0000000 0.1467970), wk = 0.0026738 k( 186) = ( 0.0000000 0.0000000 0.1304863), wk = 0.0026738 k( 187) = ( 0.0000000 0.0000000 0.1141755), wk = 0.0026738 k( 188) = ( 0.0000000 0.0000000 0.0978647), wk = 0.0026738 k( 189) = ( 0.0000000 0.0000000 0.0815539), wk = 0.0026738 k( 190) = ( 0.0000000 0.0000000 0.0652431), wk = 0.0026738 k( 191) = ( 0.0000000 0.0000000 0.0489324), wk = 0.0026738 k( 192) = ( 0.0000000 0.0000000 0.0326216), wk = 0.0026738 k( 193) = ( 0.0000000 0.0000000 0.0163108), 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 0.0085721 0.0000000), wk = 0.0026738 k( 197) = ( -0.0277778 0.0171442 0.0000000), wk = 0.0026738 k( 198) = ( -0.0416667 0.0257163 0.0000000), wk = 0.0026738 k( 199) = ( -0.0555556 0.0342884 0.0000000), wk = 0.0026738 k( 200) = ( -0.0694444 0.0428605 0.0000000), wk = 0.0026738 k( 201) = ( -0.0833333 0.0514327 0.0000000), wk = 0.0026738 k( 202) = ( -0.0972222 0.0600048 0.0000000), wk = 0.0026738 k( 203) = ( -0.1111111 0.0685769 0.0000000), wk = 0.0026738 k( 204) = ( -0.1250000 0.0771490 0.0000000), wk = 0.0026738 k( 205) = ( -0.1388889 0.0857211 0.0000000), wk = 0.0026738 k( 206) = ( -0.1527778 0.0942932 0.0000000), wk = 0.0026738 k( 207) = ( -0.1666667 0.1028653 0.0000000), wk = 0.0026738 k( 208) = ( -0.1805556 0.1114374 0.0000000), wk = 0.0026738 k( 209) = ( -0.1944444 0.1200095 0.0000000), wk = 0.0026738 k( 210) = ( -0.2083333 0.1285816 0.0000000), wk = 0.0026738 k( 211) = ( -0.2222222 0.1371538 0.0000000), wk = 0.0026738 k( 212) = ( -0.2361111 0.1457259 0.0000000), wk = 0.0026738 k( 213) = ( -0.2500000 0.1542980 0.0000000), wk = 0.0026738 k( 214) = ( -0.2638889 0.1628701 0.0000000), wk = 0.0026738 k( 215) = ( -0.2777778 0.1714422 0.0000000), wk = 0.0026738 k( 216) = ( -0.2916667 0.1800143 0.0000000), wk = 0.0026738 k( 217) = ( -0.3055556 0.1885864 0.0000000), wk = 0.0026738 k( 218) = ( -0.3194444 0.1971585 0.0000000), wk = 0.0026738 k( 219) = ( -0.3333333 0.2057306 0.0000000), wk = 0.0026738 k( 220) = ( -0.3472222 0.2143027 0.0000000), wk = 0.0026738 k( 221) = ( -0.3611111 0.2228749 0.0000000), wk = 0.0026738 k( 222) = ( -0.3750000 0.2314470 0.0000000), wk = 0.0026738 k( 223) = ( -0.3888889 0.2400191 0.0000000), wk = 0.0026738 k( 224) = ( -0.4027778 0.2485912 0.0000000), wk = 0.0026738 k( 225) = ( -0.4166667 0.2571633 0.0000000), wk = 0.0026738 k( 226) = ( -0.4305556 0.2657354 0.0000000), wk = 0.0026738 k( 227) = ( -0.4444444 0.2743075 0.0000000), wk = 0.0026738 k( 228) = ( -0.4583333 0.2828796 0.0000000), wk = 0.0026738 k( 229) = ( -0.4722222 0.2914517 0.0000000), wk = 0.0026738 k( 230) = ( -0.4861111 0.3000238 0.0000000), wk = 0.0026738 k( 231) = ( -0.5000000 0.3085960 0.0000000), wk = 0.0026738 k( 232) = ( -0.5000000 0.3085960 0.0000000), wk = 0.0026738 k( 233) = ( -0.4914018 0.3225272 -0.0000000), wk = 0.0026738 k( 234) = ( -0.4828035 0.3364584 -0.0000000), wk = 0.0026738 k( 235) = ( -0.4742052 0.3503897 -0.0000000), wk = 0.0026738 k( 236) = ( -0.4656070 0.3643209 -0.0000000), wk = 0.0026738 k( 237) = ( -0.4570087 0.3782522 -0.0000000), wk = 0.0026738 k( 238) = ( -0.4484105 0.3921834 -0.0000000), wk = 0.0026738 k( 239) = ( -0.4398122 0.4061147 -0.0000000), wk = 0.0026738 k( 240) = ( -0.4312140 0.4200459 -0.0000000), wk = 0.0026738 k( 241) = ( -0.4226157 0.4339772 -0.0000000), wk = 0.0026738 k( 242) = ( -0.4140175 0.4479084 -0.0000000), wk = 0.0026738 k( 243) = ( -0.4054192 0.4618397 -0.0000000), wk = 0.0026738 k( 244) = ( -0.3968210 0.4757709 -0.0000000), wk = 0.0026738 k( 245) = ( -0.3882227 0.4897022 -0.0000000), wk = 0.0026738 k( 246) = ( -0.3796245 0.5036334 -0.0000000), wk = 0.0026738 k( 247) = ( -0.3710262 0.5175646 -0.0000000), wk = 0.0026738 k( 248) = ( -0.3624280 0.5314959 -0.0000000), wk = 0.0026738 k( 249) = ( -0.3538297 0.5454271 -0.0000000), wk = 0.0026738 k( 250) = ( -0.3452315 0.5593584 -0.0000000), wk = 0.0026738 k( 251) = ( -0.3452315 0.5593584 -0.0000000), wk = 0.0026738 k( 252) = ( -0.3452315 0.5593584 0.0163108), wk = 0.0026738 k( 253) = ( -0.3452315 0.5593584 0.0326216), wk = 0.0026738 k( 254) = ( -0.3452315 0.5593584 0.0489324), wk = 0.0026738 k( 255) = ( -0.3452315 0.5593584 0.0652431), wk = 0.0026738 k( 256) = ( -0.3452315 0.5593584 0.0815539), wk = 0.0026738 k( 257) = ( -0.3452315 0.5593584 0.0978647), wk = 0.0026738 k( 258) = ( -0.3452315 0.5593584 0.1141755), wk = 0.0026738 k( 259) = ( -0.3452315 0.5593584 0.1304863), wk = 0.0026738 k( 260) = ( -0.3452315 0.5593584 0.1467970), wk = 0.0026738 k( 261) = ( -0.3452315 0.5593584 0.1631078), wk = 0.0026738 k( 262) = ( -0.3452315 0.5593584 0.1794186), wk = 0.0026738 k( 263) = ( -0.3452315 0.5593584 0.1957294), wk = 0.0026738 k( 264) = ( -0.3452315 0.5593584 0.2120402), wk = 0.0026738 k( 265) = ( -0.3452315 0.5593584 0.2283509), wk = 0.0026738 k( 266) = ( -0.3452315 0.5593584 0.2446617), wk = 0.0026738 k( 267) = ( -0.3452315 0.5593584 0.2609725), wk = 0.0026738 k( 268) = ( -0.3452315 0.5593584 0.2772833), wk = 0.0026738 k( 269) = ( -0.3452315 0.5593584 0.2935941), wk = 0.0026738 k( 270) = ( -0.3452315 0.5593584 0.3099049), wk = 0.0026738 k( 271) = ( -0.3452315 0.5593584 0.3262156), wk = 0.0026738 k( 272) = ( -0.3452315 0.5593584 0.3425264), wk = 0.0026738 k( 273) = ( -0.3452315 0.5593584 0.3588372), wk = 0.0026738 k( 274) = ( -0.3452315 0.5593584 0.3751480), wk = 0.0026738 k( 275) = ( -0.3452315 0.5593584 0.3914588), wk = 0.0026738 k( 276) = ( -0.3452315 0.5593584 0.4077696), wk = 0.0026738 k( 277) = ( -0.3452315 0.5593584 0.4240803), wk = 0.0026738 k( 278) = ( -0.3452315 0.5593584 0.4403911), wk = 0.0026738 k( 279) = ( -0.3452315 0.5593584 0.4567019), wk = 0.0026738 k( 280) = ( -0.3452315 0.5593584 0.4730127), wk = 0.0026738 k( 281) = ( -0.3452315 0.5593584 0.4893235), wk = 0.0026738 k( 282) = ( -0.3452315 0.5593584 0.5056342), wk = 0.0026738 k( 283) = ( -0.3452315 0.5593584 0.5219450), wk = 0.0026738 k( 284) = ( -0.3452315 0.5593584 0.5382558), wk = 0.0026738 k( 285) = ( -0.3452315 0.5593584 0.5382558), wk = 0.0026738 k( 286) = ( -0.3538297 0.5454271 0.5382558), wk = 0.0026738 k( 287) = ( -0.3624280 0.5314959 0.5382558), wk = 0.0026738 k( 288) = ( -0.3710262 0.5175646 0.5382558), wk = 0.0026738 k( 289) = ( -0.3796245 0.5036334 0.5382558), wk = 0.0026738 k( 290) = ( -0.3882227 0.4897022 0.5382558), wk = 0.0026738 k( 291) = ( -0.3968210 0.4757709 0.5382558), wk = 0.0026738 k( 292) = ( -0.4054192 0.4618397 0.5382558), wk = 0.0026738 k( 293) = ( -0.4140175 0.4479084 0.5382558), wk = 0.0026738 k( 294) = ( -0.4226157 0.4339772 0.5382558), wk = 0.0026738 k( 295) = ( -0.4312140 0.4200459 0.5382558), wk = 0.0026738 k( 296) = ( -0.4398122 0.4061147 0.5382558), wk = 0.0026738 k( 297) = ( -0.4484105 0.3921834 0.5382558), wk = 0.0026738 k( 298) = ( -0.4570087 0.3782522 0.5382558), wk = 0.0026738 k( 299) = ( -0.4656070 0.3643209 0.5382558), wk = 0.0026738 k( 300) = ( -0.4742052 0.3503897 0.5382558), wk = 0.0026738 k( 301) = ( -0.4828035 0.3364584 0.5382558), wk = 0.0026738 k( 302) = ( -0.4914018 0.3225272 0.5382558), wk = 0.0026738 k( 303) = ( -0.5000000 0.3085960 0.5382558), wk = 0.0026738 k( 304) = ( -0.5000000 0.3085960 0.5382558), wk = 0.0026738 k( 305) = ( -0.5000000 0.3085960 0.5219450), wk = 0.0026738 k( 306) = ( -0.5000000 0.3085960 0.5056342), wk = 0.0026738 k( 307) = ( -0.5000000 0.3085960 0.4893235), wk = 0.0026738 k( 308) = ( -0.5000000 0.3085960 0.4730127), wk = 0.0026738 k( 309) = ( -0.5000000 0.3085960 0.4567019), wk = 0.0026738 k( 310) = ( -0.5000000 0.3085960 0.4403911), wk = 0.0026738 k( 311) = ( -0.5000000 0.3085960 0.4240803), wk = 0.0026738 k( 312) = ( -0.5000000 0.3085960 0.4077696), wk = 0.0026738 k( 313) = ( -0.5000000 0.3085960 0.3914588), wk = 0.0026738 k( 314) = ( -0.5000000 0.3085960 0.3751480), wk = 0.0026738 k( 315) = ( -0.5000000 0.3085960 0.3588372), wk = 0.0026738 k( 316) = ( -0.5000000 0.3085960 0.3425264), wk = 0.0026738 k( 317) = ( -0.5000000 0.3085960 0.3262156), wk = 0.0026738 k( 318) = ( -0.5000000 0.3085960 0.3099049), wk = 0.0026738 k( 319) = ( -0.5000000 0.3085960 0.2935941), wk = 0.0026738 k( 320) = ( -0.5000000 0.3085960 0.2772833), wk = 0.0026738 k( 321) = ( -0.5000000 0.3085960 0.2609725), wk = 0.0026738 k( 322) = ( -0.5000000 0.3085960 0.2446617), wk = 0.0026738 k( 323) = ( -0.5000000 0.3085960 0.2283509), wk = 0.0026738 k( 324) = ( -0.5000000 0.3085960 0.2120402), wk = 0.0026738 k( 325) = ( -0.5000000 0.3085960 0.1957294), wk = 0.0026738 k( 326) = ( -0.5000000 0.3085960 0.1794186), wk = 0.0026738 k( 327) = ( -0.5000000 0.3085960 0.1631078), wk = 0.0026738 k( 328) = ( -0.5000000 0.3085960 0.1467970), wk = 0.0026738 k( 329) = ( -0.5000000 0.3085960 0.1304863), wk = 0.0026738 k( 330) = ( -0.5000000 0.3085960 0.1141755), wk = 0.0026738 k( 331) = ( -0.5000000 0.3085960 0.0978647), wk = 0.0026738 k( 332) = ( -0.5000000 0.3085960 0.0815539), wk = 0.0026738 k( 333) = ( -0.5000000 0.3085960 0.0652431), wk = 0.0026738 k( 334) = ( -0.5000000 0.3085960 0.0489324), wk = 0.0026738 k( 335) = ( -0.5000000 0.3085960 0.0326216), wk = 0.0026738 k( 336) = ( -0.5000000 0.3085960 0.0163108), wk = 0.0026738 k( 337) = ( -0.5000000 0.3085960 0.0000000), wk = 0.0026738 k( 338) = ( 0.0000000 0.0000000 0.5382558), wk = 0.0026738 k( 339) = ( -0.0138889 0.0085721 0.5382558), wk = 0.0026738 k( 340) = ( -0.0277778 0.0171442 0.5382558), wk = 0.0026738 k( 341) = ( -0.0416667 0.0257163 0.5382558), wk = 0.0026738 k( 342) = ( -0.0555556 0.0342884 0.5382558), wk = 0.0026738 k( 343) = ( -0.0694444 0.0428605 0.5382558), wk = 0.0026738 k( 344) = ( -0.0833333 0.0514327 0.5382558), wk = 0.0026738 k( 345) = ( -0.0972222 0.0600048 0.5382558), wk = 0.0026738 k( 346) = ( -0.1111111 0.0685769 0.5382558), wk = 0.0026738 k( 347) = ( -0.1250000 0.0771490 0.5382558), wk = 0.0026738 k( 348) = ( -0.1388889 0.0857211 0.5382558), wk = 0.0026738 k( 349) = ( -0.1527778 0.0942932 0.5382558), wk = 0.0026738 k( 350) = ( -0.1666667 0.1028653 0.5382558), wk = 0.0026738 k( 351) = ( -0.1805556 0.1114374 0.5382558), wk = 0.0026738 k( 352) = ( -0.1944444 0.1200095 0.5382558), wk = 0.0026738 k( 353) = ( -0.2083333 0.1285816 0.5382558), wk = 0.0026738 k( 354) = ( -0.2222222 0.1371538 0.5382558), wk = 0.0026738 k( 355) = ( -0.2361111 0.1457259 0.5382558), wk = 0.0026738 k( 356) = ( -0.2500000 0.1542980 0.5382558), wk = 0.0026738 k( 357) = ( -0.2638889 0.1628701 0.5382558), wk = 0.0026738 k( 358) = ( -0.2777778 0.1714422 0.5382558), wk = 0.0026738 k( 359) = ( -0.2916667 0.1800143 0.5382558), wk = 0.0026738 k( 360) = ( -0.3055556 0.1885864 0.5382558), wk = 0.0026738 k( 361) = ( -0.3194444 0.1971585 0.5382558), wk = 0.0026738 k( 362) = ( -0.3333333 0.2057306 0.5382558), wk = 0.0026738 k( 363) = ( -0.3472222 0.2143027 0.5382558), wk = 0.0026738 k( 364) = ( -0.3611111 0.2228749 0.5382558), wk = 0.0026738 k( 365) = ( -0.3750000 0.2314470 0.5382558), wk = 0.0026738 k( 366) = ( -0.3888889 0.2400191 0.5382558), wk = 0.0026738 k( 367) = ( -0.4027778 0.2485912 0.5382558), wk = 0.0026738 k( 368) = ( -0.4166667 0.2571633 0.5382558), wk = 0.0026738 k( 369) = ( -0.4305556 0.2657354 0.5382558), wk = 0.0026738 k( 370) = ( -0.4444444 0.2743075 0.5382558), wk = 0.0026738 k( 371) = ( -0.4583333 0.2828796 0.5382558), wk = 0.0026738 k( 372) = ( -0.4722222 0.2914517 0.5382558), wk = 0.0026738 k( 373) = ( -0.4861111 0.3000238 0.5382558), wk = 0.0026738 k( 374) = ( -0.5000000 0.3085960 0.5382558), wk = 0.0026738 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 2) = ( 0.0086308 0.0086308 0.0000000), wk = 0.0026738 k( 3) = ( 0.0172616 0.0172616 0.0000000), wk = 0.0026738 k( 4) = ( 0.0258924 0.0258924 0.0000000), wk = 0.0026738 k( 5) = ( 0.0345232 0.0345232 0.0000000), wk = 0.0026738 k( 6) = ( 0.0431539 0.0431539 0.0000000), wk = 0.0026738 k( 7) = ( 0.0517847 0.0517847 0.0000000), wk = 0.0026738 k( 8) = ( 0.0604155 0.0604155 0.0000000), wk = 0.0026738 k( 9) = ( 0.0690463 0.0690463 0.0000000), wk = 0.0026738 k( 10) = ( 0.0776771 0.0776771 0.0000000), wk = 0.0026738 k( 11) = ( 0.0863079 0.0863079 0.0000000), wk = 0.0026738 k( 12) = ( 0.0949386 0.0949387 0.0000000), wk = 0.0026738 k( 13) = ( 0.1035694 0.1035694 0.0000000), wk = 0.0026738 k( 14) = ( 0.1122002 0.1122002 0.0000000), wk = 0.0026738 k( 15) = ( 0.1208310 0.1208310 0.0000000), wk = 0.0026738 k( 16) = ( 0.1294618 0.1294618 0.0000000), wk = 0.0026738 k( 17) = ( 0.1380926 0.1380926 0.0000000), wk = 0.0026738 k( 18) = ( 0.1467234 0.1467234 0.0000000), wk = 0.0026738 k( 19) = ( 0.1553542 0.1553542 0.0000000), wk = 0.0026738 k( 20) = ( 0.1639849 0.1639849 0.0000000), wk = 0.0026738 k( 21) = ( 0.1726157 0.1726157 0.0000000), wk = 0.0026738 k( 22) = ( 0.1812465 0.1812465 0.0000000), wk = 0.0026738 k( 23) = ( 0.1898773 0.1898773 0.0000000), wk = 0.0026738 k( 24) = ( 0.1985081 0.1985081 0.0000000), wk = 0.0026738 k( 25) = ( 0.2071389 0.2071389 0.0000000), wk = 0.0026738 k( 26) = ( 0.2157697 0.2157697 -0.0000000), wk = 0.0026738 k( 27) = ( 0.2244005 0.2244005 0.0000000), wk = 0.0026738 k( 28) = ( 0.2330312 0.2330312 0.0000000), wk = 0.0026738 k( 29) = ( 0.2416620 0.2416620 0.0000000), wk = 0.0026738 k( 30) = ( 0.2502928 0.2502928 0.0000000), wk = 0.0026738 k( 31) = ( 0.2589236 0.2589236 0.0000000), wk = 0.0026738 k( 32) = ( 0.2675544 0.2675544 0.0000000), wk = 0.0026738 k( 33) = ( 0.2761852 0.2761852 0.0000000), wk = 0.0026738 k( 34) = ( 0.2848160 0.2848160 0.0000000), wk = 0.0026738 k( 35) = ( 0.2934467 0.2934467 0.0000000), wk = 0.0026738 k( 36) = ( 0.3020775 0.3020775 0.0000000), wk = 0.0026738 k( 37) = ( 0.3107083 0.3107083 0.0000000), wk = 0.0026738 k( 38) = ( 0.3193391 0.3193391 -0.0000000), wk = 0.0026738 k( 39) = ( 0.3279699 0.3279699 0.0000000), wk = 0.0026738 k( 40) = ( 0.3366007 0.3366007 0.0000000), wk = 0.0026738 k( 41) = ( 0.3452315 0.3452315 0.0000000), wk = 0.0026738 k( 42) = ( 0.3452315 0.3452315 0.0000000), wk = 0.0026738 k( 43) = ( 0.3287919 0.3526014 0.0000000), wk = 0.0026738 k( 44) = ( 0.3123523 0.3599713 0.0000000), wk = 0.0026738 k( 45) = ( 0.2959127 0.3673412 0.0000000), wk = 0.0026738 k( 46) = ( 0.2794731 0.3747112 0.0000000), wk = 0.0026738 k( 47) = ( 0.2630335 0.3820811 0.0000000), wk = 0.0026738 k( 48) = ( 0.2465939 0.3894511 0.0000000), wk = 0.0026738 k( 49) = ( 0.2301543 0.3968210 0.0000000), wk = 0.0026738 k( 50) = ( 0.2137147 0.4041909 0.0000000), wk = 0.0026738 k( 51) = ( 0.1972751 0.4115608 0.0000000), wk = 0.0026738 k( 52) = ( 0.1808355 0.4189308 0.0000000), wk = 0.0026738 k( 53) = ( 0.1643959 0.4263007 0.0000000), wk = 0.0026738 k( 54) = ( 0.1479563 0.4336706 -0.0000000), wk = 0.0026738 k( 55) = ( 0.1315167 0.4410406 0.0000000), wk = 0.0026738 k( 56) = ( 0.1150772 0.4484105 0.0000000), wk = 0.0026738 k( 57) = ( 0.0986376 0.4557804 -0.0000000), wk = 0.0026738 k( 58) = ( 0.0821980 0.4631503 0.0000000), wk = 0.0026738 k( 59) = ( 0.0657584 0.4705203 0.0000000), wk = 0.0026738 k( 60) = ( 0.0493188 0.4778902 0.0000000), wk = 0.0026738 k( 61) = ( 0.0328792 0.4852601 -0.0000000), wk = 0.0026738 k( 62) = ( 0.0164396 0.4926301 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 0.0454546), 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) = ( 0.0164396 0.4926301 0.5000000), wk = 0.0026738 k( 100) = ( 0.0328792 0.4852601 0.5000000), wk = 0.0026738 k( 101) = ( 0.0493188 0.4778902 0.5000000), wk = 0.0026738 k( 102) = ( 0.0657584 0.4705203 0.5000000), wk = 0.0026738 k( 103) = ( 0.0821980 0.4631503 0.5000000), wk = 0.0026738 k( 104) = ( 0.0986376 0.4557804 0.5000000), wk = 0.0026738 k( 105) = ( 0.1150772 0.4484105 0.5000000), wk = 0.0026738 k( 106) = ( 0.1315167 0.4410406 0.5000000), wk = 0.0026738 k( 107) = ( 0.1479563 0.4336706 0.5000000), wk = 0.0026738 k( 108) = ( 0.1643959 0.4263007 0.5000000), wk = 0.0026738 k( 109) = ( 0.1808355 0.4189308 0.5000000), wk = 0.0026738 k( 110) = ( 0.1972751 0.4115608 0.5000000), wk = 0.0026738 k( 111) = ( 0.2137147 0.4041909 0.5000000), wk = 0.0026738 k( 112) = ( 0.2301543 0.3968210 0.5000000), wk = 0.0026738 k( 113) = ( 0.2465939 0.3894511 0.5000000), wk = 0.0026738 k( 114) = ( 0.2630335 0.3820811 0.5000000), wk = 0.0026738 k( 115) = ( 0.2794731 0.3747112 0.5000000), wk = 0.0026738 k( 116) = ( 0.2959127 0.3673412 0.5000000), wk = 0.0026738 k( 117) = ( 0.3123523 0.3599713 0.5000000), wk = 0.0026738 k( 118) = ( 0.3287919 0.3526014 0.5000000), wk = 0.0026738 k( 119) = ( 0.3452315 0.3452315 0.5000000), wk = 0.0026738 k( 120) = ( 0.3452315 0.3452315 0.5000000), wk = 0.0026738 k( 121) = ( 0.3366007 0.3366007 0.5000000), wk = 0.0026738 k( 122) = ( 0.3279699 0.3279699 0.5000000), wk = 0.0026738 k( 123) = ( 0.3193391 0.3193391 0.5000000), wk = 0.0026738 k( 124) = ( 0.3107083 0.3107083 0.5000000), wk = 0.0026738 k( 125) = ( 0.3020775 0.3020775 0.5000000), wk = 0.0026738 k( 126) = ( 0.2934467 0.2934467 0.5000000), wk = 0.0026738 k( 127) = ( 0.2848160 0.2848160 0.5000000), wk = 0.0026738 k( 128) = ( 0.2761852 0.2761852 0.5000000), wk = 0.0026738 k( 129) = ( 0.2675544 0.2675544 0.5000000), wk = 0.0026738 k( 130) = ( 0.2589236 0.2589236 0.5000000), wk = 0.0026738 k( 131) = ( 0.2502928 0.2502928 0.5000000), wk = 0.0026738 k( 132) = ( 0.2416620 0.2416620 0.5000000), wk = 0.0026738 k( 133) = ( 0.2330312 0.2330312 0.5000000), wk = 0.0026738 k( 134) = ( 0.2244005 0.2244005 0.5000000), wk = 0.0026738 k( 135) = ( 0.2157697 0.2157697 0.5000000), wk = 0.0026738 k( 136) = ( 0.2071389 0.2071389 0.5000000), wk = 0.0026738 k( 137) = ( 0.1985081 0.1985081 0.5000000), wk = 0.0026738 k( 138) = ( 0.1898773 0.1898773 0.5000000), wk = 0.0026738 k( 139) = ( 0.1812465 0.1812465 0.5000000), wk = 0.0026738 k( 140) = ( 0.1726157 0.1726157 0.5000000), wk = 0.0026738 k( 141) = ( 0.1639849 0.1639849 0.5000000), wk = 0.0026738 k( 142) = ( 0.1553542 0.1553542 0.5000000), wk = 0.0026738 k( 143) = ( 0.1467234 0.1467234 0.5000000), wk = 0.0026738 k( 144) = ( 0.1380926 0.1380926 0.5000000), wk = 0.0026738 k( 145) = ( 0.1294618 0.1294618 0.5000000), wk = 0.0026738 k( 146) = ( 0.1208310 0.1208310 0.5000000), wk = 0.0026738 k( 147) = ( 0.1122002 0.1122002 0.5000000), wk = 0.0026738 k( 148) = ( 0.1035694 0.1035694 0.5000000), wk = 0.0026738 k( 149) = ( 0.0949386 0.0949387 0.5000000), wk = 0.0026738 k( 150) = ( 0.0863079 0.0863079 0.5000000), wk = 0.0026738 k( 151) = ( 0.0776771 0.0776771 0.5000000), wk = 0.0026738 k( 152) = ( 0.0690463 0.0690463 0.5000000), wk = 0.0026738 k( 153) = ( 0.0604155 0.0604155 0.5000000), wk = 0.0026738 k( 154) = ( 0.0517847 0.0517847 0.5000000), wk = 0.0026738 k( 155) = ( 0.0431539 0.0431539 0.5000000), wk = 0.0026738 k( 156) = ( 0.0345232 0.0345232 0.5000000), wk = 0.0026738 k( 157) = ( 0.0258924 0.0258924 0.5000000), wk = 0.0026738 k( 158) = ( 0.0172616 0.0172616 0.5000000), wk = 0.0026738 k( 159) = ( 0.0086308 0.0086308 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) = ( -0.4914018 0.5085982 -0.0000000), wk = 0.0026738 k( 234) = ( -0.4828035 0.5171965 -0.0000000), wk = 0.0026738 k( 235) = ( -0.4742052 0.5257948 -0.0000000), wk = 0.0026738 k( 236) = ( -0.4656070 0.5343930 -0.0000000), wk = 0.0026738 k( 237) = ( -0.4570087 0.5429913 0.0000000), wk = 0.0026738 k( 238) = ( -0.4484105 0.5515895 0.0000000), wk = 0.0026738 k( 239) = ( -0.4398122 0.5601878 -0.0000000), wk = 0.0026738 k( 240) = ( -0.4312140 0.5687860 -0.0000000), wk = 0.0026738 k( 241) = ( -0.4226157 0.5773843 -0.0000000), wk = 0.0026738 k( 242) = ( -0.4140175 0.5859825 -0.0000000), wk = 0.0026738 k( 243) = ( -0.4054192 0.5945808 -0.0000000), wk = 0.0026738 k( 244) = ( -0.3968210 0.6031790 -0.0000000), wk = 0.0026738 k( 245) = ( -0.3882227 0.6117773 -0.0000000), wk = 0.0026738 k( 246) = ( -0.3796245 0.6203755 0.0000000), wk = 0.0026738 k( 247) = ( -0.3710262 0.6289738 -0.0000000), wk = 0.0026738 k( 248) = ( -0.3624280 0.6375720 -0.0000000), wk = 0.0026738 k( 249) = ( -0.3538297 0.6461703 0.0000000), wk = 0.0026738 k( 250) = ( -0.3452315 0.6547685 -0.0000000), wk = 0.0026738 k( 251) = ( -0.3452315 0.6547685 -0.0000000), wk = 0.0026738 k( 252) = ( -0.3452315 0.6547685 0.0151515), wk = 0.0026738 k( 253) = ( -0.3452315 0.6547685 0.0303030), wk = 0.0026738 k( 254) = ( -0.3452315 0.6547685 0.0454546), wk = 0.0026738 k( 255) = ( -0.3452315 0.6547685 0.0606061), wk = 0.0026738 k( 256) = ( -0.3452315 0.6547685 0.0757576), wk = 0.0026738 k( 257) = ( -0.3452315 0.6547685 0.0909091), wk = 0.0026738 k( 258) = ( -0.3452315 0.6547685 0.1060606), wk = 0.0026738 k( 259) = ( -0.3452315 0.6547685 0.1212121), wk = 0.0026738 k( 260) = ( -0.3452315 0.6547685 0.1363636), wk = 0.0026738 k( 261) = ( -0.3452315 0.6547685 0.1515151), wk = 0.0026738 k( 262) = ( -0.3452315 0.6547685 0.1666667), wk = 0.0026738 k( 263) = ( -0.3452315 0.6547685 0.1818182), wk = 0.0026738 k( 264) = ( -0.3452315 0.6547685 0.1969697), wk = 0.0026738 k( 265) = ( -0.3452315 0.6547685 0.2121212), wk = 0.0026738 k( 266) = ( -0.3452315 0.6547685 0.2272727), wk = 0.0026738 k( 267) = ( -0.3452315 0.6547685 0.2424242), wk = 0.0026738 k( 268) = ( -0.3452315 0.6547685 0.2575758), wk = 0.0026738 k( 269) = ( -0.3452315 0.6547685 0.2727273), wk = 0.0026738 k( 270) = ( -0.3452315 0.6547685 0.2878788), wk = 0.0026738 k( 271) = ( -0.3452315 0.6547685 0.3030303), wk = 0.0026738 k( 272) = ( -0.3452315 0.6547685 0.3181818), wk = 0.0026738 k( 273) = ( -0.3452315 0.6547685 0.3333333), wk = 0.0026738 k( 274) = ( -0.3452315 0.6547685 0.3484849), wk = 0.0026738 k( 275) = ( -0.3452315 0.6547685 0.3636364), wk = 0.0026738 k( 276) = ( -0.3452315 0.6547685 0.3787879), wk = 0.0026738 k( 277) = ( -0.3452315 0.6547685 0.3939394), wk = 0.0026738 k( 278) = ( -0.3452315 0.6547685 0.4090909), wk = 0.0026738 k( 279) = ( -0.3452315 0.6547685 0.4242424), wk = 0.0026738 k( 280) = ( -0.3452315 0.6547685 0.4393939), wk = 0.0026738 k( 281) = ( -0.3452315 0.6547685 0.4545455), wk = 0.0026738 k( 282) = ( -0.3452315 0.6547685 0.4696970), wk = 0.0026738 k( 283) = ( -0.3452315 0.6547685 0.4848485), wk = 0.0026738 k( 284) = ( -0.3452315 0.6547685 0.5000000), wk = 0.0026738 k( 285) = ( -0.3452315 0.6547685 0.5000000), wk = 0.0026738 k( 286) = ( -0.3538297 0.6461703 0.5000000), wk = 0.0026738 k( 287) = ( -0.3624280 0.6375720 0.5000000), wk = 0.0026738 k( 288) = ( -0.3710262 0.6289738 0.5000000), wk = 0.0026738 k( 289) = ( -0.3796245 0.6203755 0.5000000), wk = 0.0026738 k( 290) = ( -0.3882227 0.6117773 0.5000000), wk = 0.0026738 k( 291) = ( -0.3968210 0.6031790 0.5000000), wk = 0.0026738 k( 292) = ( -0.4054192 0.5945808 0.5000000), wk = 0.0026738 k( 293) = ( -0.4140175 0.5859825 0.5000000), wk = 0.0026738 k( 294) = ( -0.4226157 0.5773843 0.5000000), wk = 0.0026738 k( 295) = ( -0.4312140 0.5687860 0.5000000), wk = 0.0026738 k( 296) = ( -0.4398122 0.5601878 0.5000000), wk = 0.0026738 k( 297) = ( -0.4484105 0.5515895 0.5000000), wk = 0.0026738 k( 298) = ( -0.4570087 0.5429913 0.5000000), wk = 0.0026738 k( 299) = ( -0.4656070 0.5343930 0.5000000), wk = 0.0026738 k( 300) = ( -0.4742052 0.5257948 0.5000000), wk = 0.0026738 k( 301) = ( -0.4828035 0.5171965 0.5000000), wk = 0.0026738 k( 302) = ( -0.4914018 0.5085982 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: 77767 G-vectors FFT dimensions: ( 60, 60, 54) Smooth grid: 34361 G-vectors FFT dimensions: ( 45, 45, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.17 Mb ( 196, 58) NL pseudopotentials 0.33 Mb ( 98, 220) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1623) G-vector shells 0.01 Mb ( 812) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.69 Mb ( 196, 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 44.7 secs Computing kpt #: 2 total cpu time spent up to now is 48.6 secs Computing kpt #: 3 total cpu time spent up to now is 51.8 secs Computing kpt #: 4 total cpu time spent up to now is 55.2 secs Computing kpt #: 5 total cpu time spent up to now is 58.5 secs Computing kpt #: 6 total cpu time spent up to now is 61.3 secs Computing kpt #: 7 total cpu time spent up to now is 64.2 secs Computing kpt #: 8 total cpu time spent up to now is 66.9 secs Computing kpt #: 9 total cpu time spent up to now is 69.4 secs Computing kpt #: 10 total cpu time spent up to now is 72.2 secs Computing kpt #: 11 total cpu time spent up to now is 74.7 secs Computing kpt #: 12 total cpu time spent up to now is 77.1 secs Computing kpt #: 13 total cpu time spent up to now is 79.5 secs Computing kpt #: 14 total cpu time spent up to now is 82.2 secs Computing kpt #: 15 total cpu time spent up to now is 84.7 secs Computing kpt #: 16 total cpu time spent up to now is 87.0 secs Computing kpt #: 17 total cpu time spent up to now is 89.7 secs Computing kpt #: 18 total cpu time spent up to now is 92.7 secs Computing kpt #: 19 total cpu time spent up to now is 96.0 secs Computing kpt #: 20 total cpu time spent up to now is 99.2 secs Computing kpt #: 21 total cpu time spent up to now is 102.3 secs Computing kpt #: 22 total cpu time spent up to now is 105.3 secs Computing kpt #: 23 total cpu time spent up to now is 108.6 secs Computing kpt #: 24 total cpu time spent up to now is 112.1 secs Computing kpt #: 25 total cpu time spent up to now is 116.7 secs Computing kpt #: 26 total cpu time spent up to now is 120.0 secs Computing kpt #: 27 total cpu time spent up to now is 122.9 secs Computing kpt #: 28 total cpu time spent up to now is 126.3 secs Computing kpt #: 29 total cpu time spent up to now is 129.1 secs Computing kpt #: 30 total cpu time spent up to now is 131.7 secs Computing kpt #: 31 total cpu time spent up to now is 134.7 secs Computing kpt #: 32 total cpu time spent up to now is 137.8 secs Computing kpt #: 33 total cpu time spent up to now is 140.8 secs Computing kpt #: 34 total cpu time spent up to now is 143.8 secs Computing kpt #: 35 total cpu time spent up to now is 147.0 secs Computing kpt #: 36 total cpu time spent up to now is 150.3 secs Computing kpt #: 37 total cpu time spent up to now is 153.4 secs Computing kpt #: 38 total cpu time spent up to now is 156.7 secs Computing kpt #: 39 total cpu time spent up to now is 159.8 secs Computing kpt #: 40 total cpu time spent up to now is 162.8 secs Computing kpt #: 41 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 168.7 secs Computing kpt #: 42 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 175.2 secs Computing kpt #: 43 total cpu time spent up to now is 178.5 secs Computing kpt #: 44 total cpu time spent up to now is 181.6 secs Computing kpt #: 45 total cpu time spent up to now is 184.9 secs Computing kpt #: 46 total cpu time spent up to now is 189.1 secs Computing kpt #: 47 total cpu time spent up to now is 192.4 secs Computing kpt #: 48 total cpu time spent up to now is 196.6 secs Computing kpt #: 49 total cpu time spent up to now is 200.4 secs Computing kpt #: 50 total cpu time spent up to now is 205.7 secs Computing kpt #: 51 total cpu time spent up to now is 210.0 secs Computing kpt #: 52 total cpu time spent up to now is 215.3 secs Computing kpt #: 53 total cpu time spent up to now is 219.1 secs Computing kpt #: 54 total cpu time spent up to now is 222.4 secs Computing kpt #: 55 total cpu time spent up to now is 225.5 secs Computing kpt #: 56 total cpu time spent up to now is 228.6 secs Computing kpt #: 57 total cpu time spent up to now is 231.4 secs Computing kpt #: 58 total cpu time spent up to now is 234.3 secs Computing kpt #: 59 total cpu time spent up to now is 237.0 secs Computing kpt #: 60 total cpu time spent up to now is 239.8 secs Computing kpt #: 61 total cpu time spent up to now is 242.7 secs Computing kpt #: 62 total cpu time spent up to now is 245.2 secs Computing kpt #: 63 total cpu time spent up to now is 247.8 secs Computing kpt #: 64 total cpu time spent up to now is 250.4 secs Computing kpt #: 65 total cpu time spent up to now is 252.9 secs Computing kpt #: 66 total cpu time spent up to now is 255.6 secs Computing kpt #: 67 total cpu time spent up to now is 258.4 secs Computing kpt #: 68 total cpu time spent up to now is 261.3 secs Computing kpt #: 69 total cpu time spent up to now is 264.8 secs Computing kpt #: 70 total cpu time spent up to now is 268.7 secs Computing kpt #: 71 total cpu time spent up to now is 271.6 secs Computing kpt #: 72 total cpu time spent up to now is 274.6 secs Computing kpt #: 73 total cpu time spent up to now is 277.9 secs Computing kpt #: 74 total cpu time spent up to now is 281.3 secs Computing kpt #: 75 total cpu time spent up to now is 284.3 secs Computing kpt #: 76 total cpu time spent up to now is 287.9 secs Computing kpt #: 77 total cpu time spent up to now is 291.4 secs Computing kpt #: 78 total cpu time spent up to now is 295.2 secs Computing kpt #: 79 total cpu time spent up to now is 299.0 secs Computing kpt #: 80 total cpu time spent up to now is 302.8 secs Computing kpt #: 81 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 308.1 secs Computing kpt #: 82 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 313.4 secs Computing kpt #: 83 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 319.1 secs Computing kpt #: 84 total cpu time spent up to now is 323.8 secs Computing kpt #: 85 total cpu time spent up to now is 328.0 secs Computing kpt #: 86 total cpu time spent up to now is 331.7 secs Computing kpt #: 87 total cpu time spent up to now is 334.7 secs Computing kpt #: 88 total cpu time spent up to now is 337.6 secs Computing kpt #: 89 total cpu time spent up to now is 340.7 secs Computing kpt #: 90 total cpu time spent up to now is 344.0 secs Computing kpt #: 91 total cpu time spent up to now is 347.1 secs Computing kpt #: 92 total cpu time spent up to now is 349.9 secs Computing kpt #: 93 total cpu time spent up to now is 352.7 secs Computing kpt #: 94 total cpu time spent up to now is 355.6 secs Computing kpt #: 95 total cpu time spent up to now is 358.8 secs Computing kpt #: 96 total cpu time spent up to now is 361.8 secs Computing kpt #: 97 total cpu time spent up to now is 365.3 secs Computing kpt #: 98 total cpu time spent up to now is 368.7 secs Computing kpt #: 99 total cpu time spent up to now is 372.1 secs Computing kpt #: 100 total cpu time spent up to now is 375.5 secs Computing kpt #: 101 total cpu time spent up to now is 378.7 secs Computing kpt #: 102 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 384.0 secs Computing kpt #: 103 total cpu time spent up to now is 387.4 secs Computing kpt #: 104 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 392.4 secs Computing kpt #: 105 total cpu time spent up to now is 395.6 secs Computing kpt #: 106 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 400.7 secs Computing kpt #: 107 total cpu time spent up to now is 403.9 secs Computing kpt #: 108 total cpu time spent up to now is 407.1 secs Computing kpt #: 109 total cpu time spent up to now is 410.3 secs Computing kpt #: 110 total cpu time spent up to now is 413.5 secs Computing kpt #: 111 total cpu time spent up to now is 416.9 secs Computing kpt #: 112 total cpu time spent up to now is 420.1 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 426.7 secs Computing kpt #: 115 total cpu time spent up to now is 430.0 secs Computing kpt #: 116 total cpu time spent up to now is 433.4 secs Computing kpt #: 117 total cpu time spent up to now is 436.8 secs Computing kpt #: 118 total cpu time spent up to now is 440.1 secs Computing kpt #: 119 total cpu time spent up to now is 443.4 secs Computing kpt #: 120 total cpu time spent up to now is 446.8 secs Computing kpt #: 121 total cpu time spent up to now is 449.3 secs Computing kpt #: 122 total cpu time spent up to now is 453.0 secs Computing kpt #: 123 total cpu time spent up to now is 456.7 secs Computing kpt #: 124 total cpu time spent up to now is 459.1 secs Computing kpt #: 125 total cpu time spent up to now is 461.7 secs Computing kpt #: 126 total cpu time spent up to now is 464.2 secs Computing kpt #: 127 total cpu time spent up to now is 467.4 secs Computing kpt #: 128 total cpu time spent up to now is 470.7 secs Computing kpt #: 129 total cpu time spent up to now is 473.8 secs Computing kpt #: 130 total cpu time spent up to now is 476.9 secs Computing kpt #: 131 total cpu time spent up to now is 481.4 secs Computing kpt #: 132 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 486.6 secs Computing kpt #: 133 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 491.8 secs Computing kpt #: 134 total cpu time spent up to now is 494.9 secs Computing kpt #: 135 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 499.9 secs Computing kpt #: 136 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 504.8 secs Computing kpt #: 137 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 510.5 secs Computing kpt #: 138 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 516.2 secs Computing kpt #: 139 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 521.7 secs Computing kpt #: 140 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 528.2 secs Computing kpt #: 141 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 533.1 secs Computing kpt #: 142 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 538.3 secs Computing kpt #: 143 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 543.4 secs Computing kpt #: 144 total cpu time spent up to now is 546.8 secs Computing kpt #: 145 total cpu time spent up to now is 550.6 secs Computing kpt #: 146 total cpu time spent up to now is 553.8 secs Computing kpt #: 147 total cpu time spent up to now is 558.2 secs Computing kpt #: 148 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 563.6 secs Computing kpt #: 149 total cpu time spent up to now is 567.0 secs Computing kpt #: 150 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 571.9 secs Computing kpt #: 151 total cpu time spent up to now is 575.1 secs Computing kpt #: 152 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 579.8 secs Computing kpt #: 153 total cpu time spent up to now is 583.2 secs Computing kpt #: 154 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 588.0 secs Computing kpt #: 155 total cpu time spent up to now is 591.4 secs Computing kpt #: 156 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 596.2 secs Computing kpt #: 157 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 601.1 secs Computing kpt #: 158 total cpu time spent up to now is 604.5 secs Computing kpt #: 159 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 610.1 secs Computing kpt #: 160 total cpu time spent up to now is 613.1 secs Computing kpt #: 161 total cpu time spent up to now is 616.0 secs Computing kpt #: 162 total cpu time spent up to now is 619.1 secs Computing kpt #: 163 total cpu time spent up to now is 621.9 secs Computing kpt #: 164 total cpu time spent up to now is 625.5 secs Computing kpt #: 165 total cpu time spent up to now is 628.2 secs Computing kpt #: 166 total cpu time spent up to now is 630.8 secs Computing kpt #: 167 total cpu time spent up to now is 633.6 secs Computing kpt #: 168 total cpu time spent up to now is 636.2 secs Computing kpt #: 169 total cpu time spent up to now is 639.3 secs Computing kpt #: 170 total cpu time spent up to now is 642.0 secs Computing kpt #: 171 total cpu time spent up to now is 644.8 secs Computing kpt #: 172 total cpu time spent up to now is 648.1 secs Computing kpt #: 173 total cpu time spent up to now is 651.2 secs Computing kpt #: 174 total cpu time spent up to now is 654.4 secs Computing kpt #: 175 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 659.5 secs Computing kpt #: 176 total cpu time spent up to now is 663.1 secs Computing kpt #: 177 total cpu time spent up to now is 665.6 secs Computing kpt #: 178 total cpu time spent up to now is 668.4 secs Computing kpt #: 179 total cpu time spent up to now is 670.9 secs Computing kpt #: 180 total cpu time spent up to now is 673.5 secs Computing kpt #: 181 total cpu time spent up to now is 676.0 secs Computing kpt #: 182 total cpu time spent up to now is 678.5 secs Computing kpt #: 183 total cpu time spent up to now is 681.0 secs Computing kpt #: 184 total cpu time spent up to now is 683.7 secs Computing kpt #: 185 total cpu time spent up to now is 687.0 secs Computing kpt #: 186 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 692.1 secs Computing kpt #: 187 total cpu time spent up to now is 696.2 secs Computing kpt #: 188 total cpu time spent up to now is 700.2 secs Computing kpt #: 189 total cpu time spent up to now is 703.6 secs Computing kpt #: 190 total cpu time spent up to now is 706.9 secs Computing kpt #: 191 total cpu time spent up to now is 710.4 secs Computing kpt #: 192 total cpu time spent up to now is 713.7 secs Computing kpt #: 193 total cpu time spent up to now is 717.2 secs Computing kpt #: 194 total cpu time spent up to now is 720.7 secs Computing kpt #: 195 total cpu time spent up to now is 724.1 secs Computing kpt #: 196 total cpu time spent up to now is 727.6 secs Computing kpt #: 197 total cpu time spent up to now is 731.0 secs Computing kpt #: 198 total cpu time spent up to now is 734.4 secs Computing kpt #: 199 total cpu time spent up to now is 738.5 secs Computing kpt #: 200 total cpu time spent up to now is 741.4 secs Computing kpt #: 201 total cpu time spent up to now is 743.9 secs Computing kpt #: 202 total cpu time spent up to now is 746.5 secs Computing kpt #: 203 total cpu time spent up to now is 749.3 secs Computing kpt #: 204 total cpu time spent up to now is 751.9 secs Computing kpt #: 205 total cpu time spent up to now is 754.4 secs Computing kpt #: 206 total cpu time spent up to now is 757.0 secs Computing kpt #: 207 total cpu time spent up to now is 760.0 secs Computing kpt #: 208 total cpu time spent up to now is 762.6 secs Computing kpt #: 209 total cpu time spent up to now is 765.4 secs Computing kpt #: 210 total cpu time spent up to now is 768.3 secs Computing kpt #: 211 total cpu time spent up to now is 774.0 secs Computing kpt #: 212 total cpu time spent up to now is 777.7 secs Computing kpt #: 213 total cpu time spent up to now is 780.4 secs Computing kpt #: 214 total cpu time spent up to now is 783.6 secs Computing kpt #: 215 total cpu time spent up to now is 787.0 secs Computing kpt #: 216 total cpu time spent up to now is 790.9 secs Computing kpt #: 217 total cpu time spent up to now is 794.2 secs Computing kpt #: 218 total cpu time spent up to now is 796.9 secs Computing kpt #: 219 total cpu time spent up to now is 799.8 secs Computing kpt #: 220 total cpu time spent up to now is 802.8 secs Computing kpt #: 221 total cpu time spent up to now is 805.7 secs Computing kpt #: 222 total cpu time spent up to now is 808.9 secs Computing kpt #: 223 total cpu time spent up to now is 811.8 secs Computing kpt #: 224 total cpu time spent up to now is 815.1 secs Computing kpt #: 225 total cpu time spent up to now is 817.9 secs Computing kpt #: 226 total cpu time spent up to now is 820.9 secs Computing kpt #: 227 total cpu time spent up to now is 823.5 secs Computing kpt #: 228 total cpu time spent up to now is 826.1 secs Computing kpt #: 229 total cpu time spent up to now is 828.8 secs Computing kpt #: 230 total cpu time spent up to now is 831.4 secs Computing kpt #: 231 total cpu time spent up to now is 834.2 secs Computing kpt #: 232 total cpu time spent up to now is 836.8 secs Computing kpt #: 233 total cpu time spent up to now is 839.5 secs Computing kpt #: 234 total cpu time spent up to now is 842.2 secs Computing kpt #: 235 total cpu time spent up to now is 845.0 secs Computing kpt #: 236 total cpu time spent up to now is 848.0 secs Computing kpt #: 237 total cpu time spent up to now is 851.0 secs Computing kpt #: 238 total cpu time spent up to now is 854.6 secs Computing kpt #: 239 total cpu time spent up to now is 859.6 secs Computing kpt #: 240 total cpu time spent up to now is 863.7 secs Computing kpt #: 241 total cpu time spent up to now is 867.5 secs Computing kpt #: 242 total cpu time spent up to now is 870.6 secs Computing kpt #: 243 total cpu time spent up to now is 873.7 secs Computing kpt #: 244 total cpu time spent up to now is 876.5 secs Computing kpt #: 245 total cpu time spent up to now is 879.5 secs Computing kpt #: 246 total cpu time spent up to now is 882.7 secs Computing kpt #: 247 total cpu time spent up to now is 885.5 secs Computing kpt #: 248 total cpu time spent up to now is 888.6 secs Computing kpt #: 249 total cpu time spent up to now is 892.0 secs Computing kpt #: 250 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 897.7 secs Computing kpt #: 251 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 903.3 secs Computing kpt #: 252 total cpu time spent up to now is 907.6 secs Computing kpt #: 253 total cpu time spent up to now is 911.7 secs Computing kpt #: 254 total cpu time spent up to now is 914.8 secs Computing kpt #: 255 total cpu time spent up to now is 918.1 secs Computing kpt #: 256 total cpu time spent up to now is 921.4 secs Computing kpt #: 257 total cpu time spent up to now is 924.1 secs Computing kpt #: 258 total cpu time spent up to now is 926.8 secs Computing kpt #: 259 total cpu time spent up to now is 929.5 secs Computing kpt #: 260 total cpu time spent up to now is 932.2 secs Computing kpt #: 261 total cpu time spent up to now is 934.9 secs Computing kpt #: 262 total cpu time spent up to now is 937.4 secs Computing kpt #: 263 total cpu time spent up to now is 939.8 secs Computing kpt #: 264 total cpu time spent up to now is 942.3 secs Computing kpt #: 265 total cpu time spent up to now is 945.2 secs Computing kpt #: 266 total cpu time spent up to now is 947.6 secs Computing kpt #: 267 total cpu time spent up to now is 949.9 secs Computing kpt #: 268 total cpu time spent up to now is 952.3 secs Computing kpt #: 269 total cpu time spent up to now is 954.7 secs Computing kpt #: 270 total cpu time spent up to now is 957.1 secs Computing kpt #: 271 total cpu time spent up to now is 959.5 secs Computing kpt #: 272 total cpu time spent up to now is 961.9 secs Computing kpt #: 273 total cpu time spent up to now is 964.5 secs Computing kpt #: 274 total cpu time spent up to now is 967.0 secs Computing kpt #: 275 total cpu time spent up to now is 969.4 secs Computing kpt #: 276 total cpu time spent up to now is 971.7 secs Computing kpt #: 277 total cpu time spent up to now is 974.1 secs Computing kpt #: 278 total cpu time spent up to now is 976.5 secs Computing kpt #: 279 total cpu time spent up to now is 979.1 secs Computing kpt #: 280 total cpu time spent up to now is 981.6 secs Computing kpt #: 281 total cpu time spent up to now is 984.3 secs Computing kpt #: 282 total cpu time spent up to now is 987.0 secs Computing kpt #: 283 total cpu time spent up to now is 990.2 secs Computing kpt #: 284 total cpu time spent up to now is 993.8 secs Computing kpt #: 285 total cpu time spent up to now is 997.0 secs Computing kpt #: 286 total cpu time spent up to now is 1000.9 secs Computing kpt #: 287 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1006.1 secs Computing kpt #: 288 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1011.3 secs Computing kpt #: 289 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1016.7 secs Computing kpt #: 290 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1022.0 secs Computing kpt #: 291 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1026.9 secs Computing kpt #: 292 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1032.4 secs Computing kpt #: 293 total cpu time spent up to now is 1036.3 secs Computing kpt #: 294 total cpu time spent up to now is 1038.8 secs Computing kpt #: 295 total cpu time spent up to now is 1041.2 secs Computing kpt #: 296 total cpu time spent up to now is 1043.5 secs Computing kpt #: 297 total cpu time spent up to now is 1045.7 secs Computing kpt #: 298 total cpu time spent up to now is 1048.5 secs Computing kpt #: 299 total cpu time spent up to now is 1051.3 secs Computing kpt #: 300 total cpu time spent up to now is 1053.8 secs Computing kpt #: 301 total cpu time spent up to now is 1056.7 secs Computing kpt #: 302 total cpu time spent up to now is 1058.9 secs Computing kpt #: 303 total cpu time spent up to now is 1061.3 secs Computing kpt #: 304 total cpu time spent up to now is 1063.8 secs Computing kpt #: 305 total cpu time spent up to now is 1066.9 secs Computing kpt #: 306 total cpu time spent up to now is 1069.8 secs Computing kpt #: 307 total cpu time spent up to now is 1072.6 secs Computing kpt #: 308 total cpu time spent up to now is 1075.5 secs Computing kpt #: 309 total cpu time spent up to now is 1078.1 secs Computing kpt #: 310 total cpu time spent up to now is 1080.9 secs Computing kpt #: 311 total cpu time spent up to now is 1083.4 secs Computing kpt #: 312 total cpu time spent up to now is 1086.0 secs Computing kpt #: 313 total cpu time spent up to now is 1088.4 secs Computing kpt #: 314 total cpu time spent up to now is 1090.9 secs Computing kpt #: 315 total cpu time spent up to now is 1093.2 secs Computing kpt #: 316 total cpu time spent up to now is 1095.5 secs Computing kpt #: 317 total cpu time spent up to now is 1097.9 secs Computing kpt #: 318 total cpu time spent up to now is 1100.2 secs Computing kpt #: 319 total cpu time spent up to now is 1102.5 secs Computing kpt #: 320 total cpu time spent up to now is 1105.0 secs Computing kpt #: 321 total cpu time spent up to now is 1107.3 secs Computing kpt #: 322 total cpu time spent up to now is 1110.2 secs Computing kpt #: 323 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1115.5 secs Computing kpt #: 324 total cpu time spent up to now is 1118.5 secs Computing kpt #: 325 total cpu time spent up to now is 1121.2 secs Computing kpt #: 326 total cpu time spent up to now is 1123.7 secs Computing kpt #: 327 total cpu time spent up to now is 1126.3 secs Computing kpt #: 328 total cpu time spent up to now is 1128.6 secs Computing kpt #: 329 total cpu time spent up to now is 1131.1 secs Computing kpt #: 330 total cpu time spent up to now is 1134.0 secs Computing kpt #: 331 total cpu time spent up to now is 1137.0 secs Computing kpt #: 332 total cpu time spent up to now is 1139.8 secs Computing kpt #: 333 total cpu time spent up to now is 1142.6 secs Computing kpt #: 334 total cpu time spent up to now is 1145.1 secs Computing kpt #: 335 total cpu time spent up to now is 1147.7 secs Computing kpt #: 336 total cpu time spent up to now is 1151.0 secs Computing kpt #: 337 total cpu time spent up to now is 1153.8 secs Computing kpt #: 338 total cpu time spent up to now is 1156.0 secs Computing kpt #: 339 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1161.5 secs Computing kpt #: 340 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1167.7 secs Computing kpt #: 341 total cpu time spent up to now is 1171.8 secs Computing kpt #: 342 total cpu time spent up to now is 1175.4 secs Computing kpt #: 343 total cpu time spent up to now is 1178.5 secs Computing kpt #: 344 total cpu time spent up to now is 1182.0 secs Computing kpt #: 345 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1186.9 secs Computing kpt #: 346 total cpu time spent up to now is 1190.3 secs Computing kpt #: 347 total cpu time spent up to now is 1193.8 secs Computing kpt #: 348 total cpu time spent up to now is 1197.2 secs Computing kpt #: 349 total cpu time spent up to now is 1201.5 secs Computing kpt #: 350 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1206.4 secs Computing kpt #: 351 total cpu time spent up to now is 1210.9 secs Computing kpt #: 352 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1215.8 secs Computing kpt #: 353 total cpu time spent up to now is 1219.0 secs Computing kpt #: 354 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1224.1 secs Computing kpt #: 355 total cpu time spent up to now is 1227.4 secs Computing kpt #: 356 total cpu time spent up to now is 1230.7 secs Computing kpt #: 357 total cpu time spent up to now is 1234.0 secs Computing kpt #: 358 total cpu time spent up to now is 1237.3 secs Computing kpt #: 359 total cpu time spent up to now is 1240.8 secs Computing kpt #: 360 total cpu time spent up to now is 1244.3 secs Computing kpt #: 361 total cpu time spent up to now is 1247.9 secs Computing kpt #: 362 total cpu time spent up to now is 1251.2 secs Computing kpt #: 363 total cpu time spent up to now is 1254.3 secs Computing kpt #: 364 total cpu time spent up to now is 1257.4 secs Computing kpt #: 365 total cpu time spent up to now is 1260.6 secs Computing kpt #: 366 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1265.9 secs Computing kpt #: 367 total cpu time spent up to now is 1269.9 secs Computing kpt #: 368 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1275.0 secs Computing kpt #: 369 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1280.4 secs Computing kpt #: 370 total cpu time spent up to now is 1283.3 secs Computing kpt #: 371 total cpu time spent up to now is 1288.3 secs Computing kpt #: 372 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1293.1 secs Computing kpt #: 373 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1298.2 secs Computing kpt #: 374 total cpu time spent up to now is 1300.5 secs ethr = 2.08E-11, avg # of iterations = 55.6 total cpu time spent up to now is 1300.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4299 PWs) bands (ev): -13.5596 -13.5596 -12.9287 -12.9287 -10.7766 -10.7766 -9.1749 -9.1749 -8.9589 -8.9589 -8.8914 -8.8914 -3.3265 -3.3265 -3.1461 -3.1461 -2.9735 -2.9735 -0.6786 -0.6786 -0.0375 -0.0375 -0.0110 -0.0110 0.4501 0.4501 1.0120 1.0120 1.6093 1.6093 2.2478 2.2478 2.8216 2.8216 3.5310 3.5310 3.6427 3.6427 3.7844 3.7844 3.9679 3.9679 4.4635 4.4635 4.6705 4.6705 5.4678 5.4678 10.8136 10.8136 12.0349 12.0349 12.2018 12.2018 12.9324 12.9324 13.6870 13.6870 k = 0.0086 0.0140-0.0000 ( 4303 PWs) bands (ev): -13.5593 -13.5593 -12.9288 -12.9288 -10.7761 -10.7761 -9.1896 -9.1873 -8.9487 -8.9459 -8.8911 -8.8908 -3.3346 -3.3342 -3.1359 -3.1351 -2.9727 -2.9725 -0.6795 -0.6786 -0.0395 -0.0392 -0.0122 -0.0118 0.4497 0.4503 1.0165 1.0182 1.6078 1.6086 2.2457 2.2466 2.8214 2.8218 3.5289 3.5294 3.6428 3.6428 3.7834 3.7841 3.9646 3.9655 4.4636 4.4637 4.6705 4.6707 5.4670 5.4674 10.8166 10.8167 12.0355 12.0358 12.2035 12.2040 12.9323 12.9332 13.6856 13.6867 k = 0.0173 0.0280-0.0000 ( 4299 PWs) bands (ev): -13.5582 -13.5582 -12.9289 -12.9288 -10.7744 -10.7744 -9.2246 -9.2211 -8.9211 -8.9165 -8.8900 -8.8894 -3.3542 -3.3538 -3.1086 -3.1072 -2.9699 -2.9695 -0.6815 -0.6798 -0.0450 -0.0445 -0.0154 -0.0146 0.4493 0.4504 1.0315 1.0348 1.6042 1.6057 2.2403 2.2421 2.8211 2.8220 3.5230 3.5241 3.6431 3.6431 3.7809 3.7824 3.9555 3.9573 4.4640 4.4642 4.6708 4.6712 5.4651 5.4658 10.8256 10.8257 12.0377 12.0381 12.2091 12.2100 12.9327 12.9346 13.6822 13.6843 k = 0.0259 0.0420-0.0000 ( 4295 PWs) bands (ev): -13.5564 -13.5564 -12.9290 -12.9290 -10.7716 -10.7715 -9.2707 -9.2667 -8.8892 -8.8874 -8.8841 -8.8796 -3.3787 -3.3783 -3.0710 -3.0692 -2.9651 -2.9645 -0.6849 -0.6823 -0.0532 -0.0526 -0.0205 -0.0194 0.4494 0.4510 1.0560 1.0607 1.5983 1.6006 2.2316 2.2342 2.8207 2.8222 3.5136 3.5152 3.6436 3.6437 3.7770 3.7794 3.9408 3.9436 4.4647 4.4650 4.6711 4.6718 5.4621 5.4631 10.8405 10.8407 12.0413 12.0420 12.2184 12.2197 12.9339 12.9366 13.6758 13.6788 k = 0.0345 0.0559-0.0000 ( 4287 PWs) bands (ev): -13.5539 -13.5539 -12.9292 -12.9292 -10.7677 -10.7676 -9.3229 -9.3188 -8.8856 -8.8843 -8.8466 -8.8406 -3.4042 -3.4039 -3.0271 -3.0250 -2.9584 -2.9576 -0.6900 -0.6865 -0.0632 -0.0625 -0.0277 -0.0262 0.4506 0.4526 1.0888 1.0947 1.5903 1.5934 2.2195 2.2231 2.8202 2.8222 3.5009 3.5031 3.6444 3.6446 3.7714 3.7750 3.9207 3.9249 4.4657 4.4660 4.6713 4.6722 5.4581 5.4594 10.8612 10.8614 12.0463 12.0473 12.2312 12.2329 12.9361 12.9395 13.6651 13.6689 k = 0.0432 0.0699-0.0000 ( 4287 PWs) bands (ev): -13.5507 -13.5507 -12.9295 -12.9295 -10.7626 -10.7625 -9.3787 -9.3747 -8.8821 -8.8805 -8.8082 -8.8017 -3.4286 -3.4285 -2.9791 -2.9767 -2.9498 -2.9488 -0.6974 -0.6930 -0.0736 -0.0729 -0.0369 -0.0350 0.4536 0.4558 1.1285 1.1355 1.5800 1.5839 2.2042 2.2086 2.8195 2.8220 3.4852 3.4880 3.6455 3.6457 3.7637 3.7689 3.8958 3.9018 4.4669 4.4674 4.6710 4.6721 5.4531 5.4548 10.8876 10.8878 12.0527 12.0539 12.2474 12.2495 12.9392 12.9434 13.6492 13.6534 k = 0.0518 0.0839-0.0000 ( 4287 PWs) bands (ev): -13.5469 -13.5468 -12.9298 -12.9298 -10.7564 -10.7562 -9.4370 -9.4331 -8.8778 -8.8759 -8.7709 -8.7641 -3.4511 -3.4509 -2.9393 -2.9381 -2.9279 -2.9253 -0.7078 -0.7025 -0.0829 -0.0824 -0.0482 -0.0459 0.4587 0.4610 1.1738 1.1817 1.5676 1.5721 2.1856 2.1907 2.8186 2.8216 3.4670 3.4703 3.6468 3.6472 3.7533 3.7607 3.8671 3.8755 4.4685 4.4691 4.6699 4.6712 5.4474 5.4495 10.9194 10.9197 12.0604 12.0619 12.2666 12.2692 12.9437 12.9484 13.6278 13.6321 k = 0.0604 0.0979-0.0000 ( 4289 PWs) bands (ev): -13.5424 -13.5423 -12.9302 -12.9301 -10.7491 -10.7488 -9.4971 -9.4933 -8.8728 -8.8706 -8.7356 -8.7285 -3.4712 -3.4708 -2.9268 -2.9254 -2.8744 -2.8716 -0.7215 -0.7153 -0.0897 -0.0894 -0.0615 -0.0589 0.4661 0.4686 1.2235 1.2321 1.5528 1.5580 2.1638 2.1697 2.8172 2.8209 3.4467 3.4506 3.6484 3.6489 3.7385 3.7487 3.8364 3.8480 4.4705 4.4711 4.6675 4.6690 5.4411 5.4436 10.9563 10.9567 12.0692 12.0709 12.2886 12.2916 12.9497 12.9549 13.6016 13.6059 k = 0.0690 0.1119-0.0000 ( 4293 PWs) bands (ev): -13.5372 -13.5371 -12.9306 -12.9306 -10.7406 -10.7403 -9.5585 -9.5548 -8.8670 -8.8645 -8.7026 -8.6952 -3.4885 -3.4879 -2.9124 -2.9108 -2.8190 -2.8160 -0.7390 -0.7321 -0.0929 -0.0927 -0.0770 -0.0741 0.4761 0.4786 1.2765 1.2858 1.5357 1.5416 2.1388 2.1453 2.8154 2.8198 3.4248 3.4293 3.6502 3.6511 3.7173 3.7298 3.8075 3.8220 4.4727 4.4734 4.6636 4.6652 5.4344 5.4372 10.9982 10.9986 12.0791 12.0811 12.3130 12.3164 12.9574 12.9630 13.5719 13.5761 k = 0.0777 0.1259-0.0000 ( 4281 PWs) bands (ev): -13.5314 -13.5313 -12.9311 -12.9311 -10.7309 -10.7306 -9.6208 -9.6174 -8.8605 -8.8577 -8.6721 -8.6645 -3.5028 -3.5020 -2.8961 -2.8943 -2.7620 -2.7589 -0.7606 -0.7529 -0.0950 -0.0922 -0.0911 -0.0907 0.4885 0.4912 1.3322 1.3419 1.5162 1.5227 2.1107 2.1179 2.8130 2.8181 3.4017 3.4068 3.6516 3.6537 3.6884 3.7002 3.7848 3.8001 4.4754 4.4762 4.6578 4.6595 5.4273 5.4304 11.0446 11.0452 12.0898 12.0921 12.3395 12.3433 12.9672 12.9730 13.5402 13.5442 k = 0.0863 0.1398-0.0000 ( 4283 PWs) bands (ev): -13.5249 -13.5249 -12.9316 -12.9316 -10.7201 -10.7198 -9.6839 -9.6806 -8.8533 -8.8502 -8.6444 -8.6366 -3.5141 -3.5131 -2.8779 -2.8759 -2.7037 -2.7004 -0.7859 -0.7776 -0.1148 -0.1110 -0.0849 -0.0846 0.5035 0.5063 1.3896 1.3998 1.4943 1.5014 2.0796 2.0874 2.8099 2.8158 3.3779 3.3836 3.6411 3.6561 3.6608 3.6631 3.7686 3.7828 4.4784 4.4792 4.6497 4.6516 5.4199 5.4234 11.0954 11.0960 12.1012 12.1038 12.3678 12.3719 12.9792 12.9851 13.5079 13.5116 k = 0.0949 0.1538-0.0000 ( 4279 PWs) bands (ev): -13.5179 -13.5178 -12.9322 -12.9322 -10.7082 -10.7078 -9.7474 -9.7443 -8.8454 -8.8420 -8.6196 -8.6115 -3.5224 -3.5213 -2.8578 -2.8556 -2.6443 -2.6409 -0.8148 -0.8060 -0.1370 -0.1328 -0.0731 -0.0727 0.5211 0.5240 1.4482 1.4583 1.4704 1.4777 2.0457 2.0540 2.8061 2.8128 3.3537 3.3600 3.5999 3.6127 3.6607 3.6626 3.7562 3.7688 4.4818 4.4827 4.6393 4.6413 5.4123 5.4162 11.1500 11.1507 12.1132 12.1160 12.3976 12.4020 12.9935 12.9993 13.4761 13.4796 k = 0.1036 0.1678-0.0000 ( 4275 PWs) bands (ev): -13.5103 -13.5103 -12.9328 -12.9328 -10.6950 -10.6946 -9.8113 -9.8084 -8.8369 -8.8331 -8.5977 -8.5895 -3.5278 -3.5265 -2.8359 -2.8335 -2.5841 -2.5805 -0.8465 -0.8374 -0.1616 -0.1570 -0.0561 -0.0556 0.5412 0.5443 1.4426 1.4510 1.5077 1.5188 2.0091 2.0179 2.8013 2.8089 3.3291 3.3361 3.5509 3.5615 3.6650 3.6663 3.7454 3.7567 4.4857 4.4867 4.6263 4.6284 5.4046 5.4088 11.2082 11.2090 12.1255 12.1286 12.4286 12.4334 13.0101 13.0157 13.4460 13.4491 k = 0.1122 0.1818-0.0000 ( 4283 PWs) bands (ev): -13.5022 -13.5021 -12.9335 -12.9335 -10.6807 -10.6802 -9.8753 -9.8726 -8.8277 -8.8237 -8.5788 -8.5704 -3.5304 -3.5289 -2.8121 -2.8095 -2.5232 -2.5196 -0.8805 -0.8711 -0.1885 -0.1837 -0.0341 -0.0337 0.5639 0.5671 1.4129 1.4217 1.5674 1.5787 1.9700 1.9792 2.7957 2.8040 3.3041 3.3116 3.4991 3.5082 3.6700 3.6711 3.7353 3.7455 4.4900 4.4911 4.6106 4.6129 5.3967 5.4012 11.2695 11.2705 12.1379 12.1414 12.4608 12.4658 13.0288 13.0340 13.4184 13.4212 k = 0.1208 0.1958-0.0000 ( 4279 PWs) bands (ev): -13.4936 -13.4935 -12.9342 -12.9342 -10.6651 -10.6646 -9.9394 -9.9368 -8.8180 -8.8136 -8.5628 -8.5543 -3.5303 -3.5287 -2.7864 -2.7836 -2.4620 -2.4583 -0.9160 -0.9064 -0.2180 -0.2127 -0.0077 -0.0073 0.5890 0.5924 1.3803 1.3896 1.6269 1.6385 1.9287 1.9384 2.7890 2.7982 3.2780 3.2860 3.4467 3.4549 3.6756 3.6769 3.7255 3.7347 4.4948 4.4959 4.5923 4.5947 5.3885 5.3933 11.3336 11.3348 12.1502 12.1540 12.4938 12.4992 13.0491 13.0538 13.3944 13.3968 k = 0.1295 0.2098-0.0000 ( 4271 PWs) bands (ev): -13.4845 -13.4844 -12.9350 -12.9350 -10.6484 -10.6478 -10.0032 -10.0008 -8.8077 -8.8031 -8.5497 -8.5411 -3.5277 -3.5260 -2.7589 -2.7559 -2.4005 -2.3967 -0.9523 -0.9426 -0.2499 -0.2443 0.0227 0.0230 0.6168 0.6204 1.3447 1.3545 1.6860 1.6979 1.8856 1.8957 2.7813 2.7913 3.2493 3.2577 3.3964 3.4040 3.6819 3.6835 3.7160 3.7243 4.5001 4.5013 4.5715 4.5740 5.3799 5.3850 11.4001 11.4014 12.1623 12.1664 12.5278 12.5333 13.0702 13.0742 13.3753 13.3772 k = 0.1381 0.2237-0.0000 ( 4275 PWs) bands (ev): -13.4750 -13.4749 -12.9358 -12.9358 -10.6304 -10.6298 -10.0669 -10.0646 -8.7969 -8.7920 -8.5395 -8.5309 -3.5229 -3.5211 -2.7296 -2.7264 -2.3389 -2.3351 -0.9887 -0.9790 -0.2843 -0.2783 0.0566 0.0567 0.6472 0.6510 1.3061 1.3162 1.7444 1.7566 1.8410 1.8514 2.7726 2.7834 3.2158 3.2243 3.3512 3.3587 3.6878 3.6908 3.7078 3.7142 4.5060 4.5072 4.5483 4.5509 5.3707 5.3761 11.4685 11.4700 12.1739 12.1784 12.5624 12.5682 13.0910 13.0941 13.3625 13.3637 k = 0.1467 0.2377-0.0000 ( 4275 PWs) bands (ev): -13.4651 -13.4650 -12.9366 -12.9366 -10.6112 -10.6106 -10.1301 -10.1280 -8.7857 -8.7806 -8.5321 -8.5234 -3.5161 -3.5143 -2.6985 -2.6951 -2.2774 -2.2736 -1.0248 -1.0151 -0.3212 -0.3150 0.0935 0.0935 0.6802 0.6842 1.2642 1.2747 1.7946 1.8024 1.8059 1.8143 2.7628 2.7743 3.1752 3.1835 3.3141 3.3218 3.6883 3.6964 3.7059 3.7069 4.5124 4.5137 4.5228 4.5254 5.3609 5.3666 11.5385 11.5402 12.1848 12.1897 12.5977 12.6037 13.1098 13.1118 13.3578 13.3583 k = 0.1554 0.2517-0.0000 ( 4283 PWs) bands (ev): -13.4548 -13.4547 -12.9375 -12.9375 -10.5908 -10.5901 -10.1929 -10.1909 -8.7741 -8.7687 -8.5274 -8.5186 -3.5076 -3.5057 -2.6656 -2.6621 -2.2162 -2.2123 -1.0599 -1.0502 -0.3607 -0.3541 0.1328 0.1329 0.7158 0.7202 1.2190 1.2298 1.7485 1.7597 1.8582 1.8707 2.7521 2.7642 3.1276 3.1354 3.2856 3.2938 3.6808 3.6903 3.7126 3.7132 4.4951 4.4978 4.5196 4.5209 5.3503 5.3562 11.6096 11.6116 12.1951 12.2003 12.6333 12.6395 13.1252 13.1262 13.3625 13.3627 k = 0.1640 0.2657-0.0000 ( 4281 PWs) bands (ev): -13.4442 -13.4441 -12.9384 -12.9384 -10.5692 -10.5684 -10.2550 -10.2532 -8.7622 -8.7565 -8.5252 -8.5164 -3.4978 -3.4958 -2.6310 -2.6273 -2.1554 -2.1516 -1.0935 -1.0838 -0.4027 -0.3958 0.1741 0.1744 0.7542 0.7589 1.1704 1.1814 1.7016 1.7130 1.9130 1.9257 2.7403 2.7529 3.0752 3.0825 3.2638 3.2725 3.6711 3.6802 3.7235 3.7239 4.4656 4.4684 4.5273 4.5286 5.3388 5.3449 11.6816 11.6837 12.2044 12.2100 12.6689 12.6753 13.1370 13.1371 13.3769 13.3777 k = 0.1726 0.2797-0.0000 ( 4281 PWs) bands (ev): -13.4333 -13.4332 -12.9393 -12.9393 -10.5463 -10.5455 -10.3165 -10.3148 -8.7500 -8.7440 -8.5255 -8.5167 -3.4869 -3.4849 -2.5947 -2.5908 -2.0953 -2.0914 -1.1252 -1.1157 -0.4471 -0.4400 0.2171 0.2175 0.7954 0.8004 1.1183 1.1294 1.6546 1.6662 1.9662 1.9791 2.7275 2.7405 3.0207 3.0276 3.2466 3.2557 3.6609 3.6697 3.7363 3.7365 4.4343 4.4372 4.5357 4.5371 5.3261 5.3325 11.7539 11.7563 12.2129 12.2189 12.7035 12.7102 13.1461 13.1467 13.4005 13.4017 k = 0.1812 0.2937-0.0000 ( 4285 PWs) bands (ev): -13.4222 -13.4221 -12.9402 -12.9402 -10.5221 -10.5213 -10.3772 -10.3756 -8.7376 -8.7314 -8.5280 -8.5192 -3.4753 -3.4733 -2.5567 -2.5526 -2.0358 -2.0320 -1.1546 -1.1452 -0.4939 -0.4865 0.2613 0.2619 0.8394 0.8446 1.0625 1.0738 1.6079 1.6197 2.0177 2.0308 2.7135 2.7268 2.9659 2.9725 3.2324 3.2417 3.6506 3.6592 3.7507 3.7509 4.4016 4.4045 4.5448 4.5463 5.3123 5.3188 11.8262 11.8289 12.2204 12.2268 12.7362 12.7430 13.1561 13.1570 13.4315 13.4327 k = 0.1899 0.3076-0.0000 ( 4289 PWs) bands (ev): -13.4109 -13.4108 -12.9411 -12.9411 -10.4967 -10.4958 -10.4371 -10.4355 -8.7251 -8.7186 -8.5326 -8.5239 -3.4632 -3.4613 -2.5170 -2.5127 -1.9773 -1.9735 -1.1814 -1.1721 -0.5430 -0.5353 0.3064 0.3072 0.8861 0.8917 1.0032 1.0145 1.5617 1.5737 2.0674 2.0807 2.6981 2.7115 2.9125 2.9188 3.2203 3.2296 3.6404 3.6489 3.7668 3.7669 4.3675 4.3705 4.5547 4.5562 5.2973 5.3039 11.8982 11.9012 12.2271 12.2338 12.7656 12.7725 13.1700 13.1712 13.4676 13.4687 k = 0.1985 0.3216-0.0000 ( 4285 PWs) bands (ev): -13.3994 -13.3993 -12.9421 -12.9420 -10.4960 -10.4946 -10.4700 -10.4691 -8.7125 -8.7058 -8.5391 -8.5305 -3.4512 -3.4492 -2.4757 -2.4713 -1.9198 -1.9162 -1.2052 -1.1960 -0.5942 -0.5862 0.3521 0.3530 0.9355 0.9404 0.9415 0.9516 1.5164 1.5284 2.1151 2.1285 2.6809 2.6941 2.8618 2.8677 3.2094 3.2186 3.6305 3.6387 3.7846 3.7846 4.3324 4.3354 4.5654 4.5670 5.2809 5.2877 11.9696 11.9729 12.2329 12.2401 12.7899 12.7968 13.1906 13.1921 13.5070 13.5079 k = 0.2071 0.3356-0.0000 ( 4277 PWs) bands (ev): -13.3878 -13.3877 -12.9430 -12.9429 -10.5539 -10.5525 -10.4422 -10.4411 -8.6999 -8.6930 -8.5475 -8.5389 -3.4394 -3.4375 -2.4329 -2.4282 -1.8635 -1.8600 -1.2257 -1.2166 -0.6472 -0.6391 0.3978 0.3989 0.8741 0.8852 0.9877 0.9941 1.4720 1.4841 2.1608 2.1744 2.6610 2.6736 2.8155 2.8207 3.1992 3.2083 3.6209 3.6290 3.8042 3.8042 4.2964 4.2994 4.5770 4.5785 5.2632 5.2701 12.0400 12.0437 12.2381 12.2456 12.8082 12.8150 13.2198 13.2217 13.5482 13.5489 k = 0.2158 0.3496-0.0000 ( 4277 PWs) bands (ev): -13.3762 -13.3760 -12.9439 -12.9438 -10.6107 -10.6095 -10.4130 -10.4119 -8.6875 -8.6803 -8.5574 -8.5490 -3.4283 -3.4264 -2.3885 -2.3837 -1.8087 -1.8053 -1.2426 -1.2336 -0.7020 -0.6936 0.4434 0.4447 0.8045 0.8154 1.0425 1.0492 1.4286 1.4407 2.2044 2.2183 2.6373 2.6486 2.7754 2.7793 3.1895 3.1982 3.6118 3.6197 3.8255 3.8256 4.2596 4.2626 4.5894 4.5910 5.2440 5.2511 12.1093 12.1132 12.2426 12.2506 12.8202 12.8267 13.2582 13.2605 13.5901 13.5907 k = 0.2244 0.3636-0.0000 ( 4281 PWs) bands (ev): -13.3645 -13.3644 -12.9448 -12.9447 -10.6664 -10.6652 -10.3826 -10.3814 -8.6752 -8.6679 -8.5688 -8.5605 -3.4180 -3.4161 -2.3427 -2.3377 -1.7554 -1.7522 -1.2556 -1.2467 -0.7581 -0.7497 0.4886 0.4900 0.7318 0.7425 1.0998 1.1068 1.3862 1.3984 2.2461 2.2600 2.6089 2.6181 2.7428 2.7448 3.1798 3.1881 3.6033 3.6111 3.8488 3.8490 4.2222 4.2252 4.6027 4.6043 5.2236 5.2307 12.1769 12.1811 12.2468 12.2551 12.8266 12.8328 13.3052 13.3080 13.6314 13.6322 k = 0.2330 0.3776-0.0000 ( 4281 PWs) bands (ev): -13.3528 -13.3527 -12.9456 -12.9456 -10.7208 -10.7197 -10.3510 -10.3497 -8.6633 -8.6558 -8.5815 -8.5733 -3.4088 -3.4070 -2.2954 -2.2903 -1.7040 -1.7010 -1.2645 -1.2557 -0.8154 -0.8068 0.5330 0.5346 0.6562 0.6666 1.1593 1.1667 1.3449 1.3571 2.2857 2.2998 2.5759 2.5829 2.7172 2.7172 3.1698 3.1776 3.5955 3.6031 3.8739 3.8742 4.1845 4.1874 4.6168 4.6186 5.2018 5.2090 12.2425 12.2465 12.2513 12.2594 12.8287 12.8346 13.3594 13.3626 13.6530 13.6664 k = 0.2417 0.3916-0.0000 ( 4285 PWs) bands (ev): -13.3412 -13.3411 -12.9464 -12.9464 -10.7740 -10.7730 -10.3182 -10.3168 -8.6517 -8.6440 -8.5952 -8.5872 -3.4010 -3.3991 -2.2469 -2.2416 -1.6546 -1.6518 -1.2690 -1.2604 -0.8735 -0.8648 0.5764 0.5780 0.5782 0.5881 1.2209 1.2287 1.3046 1.3168 2.3233 2.3376 2.5397 2.5448 2.6955 2.6970 3.1593 3.1666 3.5886 3.5960 3.9010 3.9013 4.1465 4.1494 4.6320 4.6337 5.1787 5.1861 12.2541 12.2633 12.3059 12.3107 12.8281 12.8336 13.4192 13.4229 13.6141 13.6256 k = 0.2503 0.4055-0.0000 ( 4279 PWs) bands (ev): -13.3297 -13.3296 -12.9472 -12.9472 -10.8259 -10.8250 -10.2841 -10.2827 -8.6407 -8.6328 -8.6099 -8.6021 -3.3946 -3.3928 -2.1971 -2.1916 -1.6075 -1.6049 -1.2690 -1.2605 -0.9320 -0.9232 0.4975 0.5073 0.6187 0.6207 1.2651 1.2762 1.2855 1.2925 2.3591 2.3735 2.5020 2.5057 2.6779 2.6804 3.1481 3.1547 3.5826 3.5897 3.9299 3.9304 4.1084 4.1112 4.6480 4.6498 5.1545 5.1619 12.2577 12.2673 12.3657 12.3707 12.8265 12.8318 13.4828 13.4869 13.5661 13.5767 k = 0.2589 0.4195-0.0000 ( 4283 PWs) bands (ev): -13.3184 -13.3182 -12.9479 -12.9479 -10.8764 -10.8756 -10.2489 -10.2473 -8.6303 -8.6254 -8.6222 -8.6178 -3.3899 -3.3881 -2.1462 -2.1406 -1.5631 -1.5607 -1.2642 -1.2558 -0.9905 -0.9816 0.4149 0.4243 0.6595 0.6617 1.2264 1.2384 1.3496 1.3579 2.3931 2.4077 2.4642 2.4670 2.6633 2.6662 3.1362 3.1420 3.5776 3.5844 3.9607 3.9613 4.0704 4.0731 4.6650 4.6669 5.1292 5.1366 12.2614 12.2714 12.4208 12.4260 12.8261 12.8310 13.5114 13.5215 13.5487 13.5532 k = 0.2676 0.4335-0.0000 ( 4279 PWs) bands (ev): -13.3072 -13.3071 -12.9485 -12.9485 -10.9255 -10.9247 -10.2124 -10.2108 -8.6416 -8.6341 -8.6206 -8.6124 -3.3868 -3.3850 -2.0944 -2.0887 -1.5215 -1.5193 -1.2545 -1.2463 -1.0485 -1.0395 0.3306 0.3397 0.6987 0.7011 1.1882 1.2003 1.4158 1.4245 2.4254 2.4273 2.4293 2.4403 2.6508 2.6537 3.1233 3.1282 3.5735 3.5802 3.9933 3.9940 4.0326 4.0351 4.6829 4.6849 5.1028 5.1102 12.2652 12.2756 12.4692 12.4745 12.8294 12.8338 13.4527 13.4621 13.6147 13.6196 k = 0.2762 0.4475-0.0000 ( 4279 PWs) bands (ev): -13.2963 -13.2961 -12.9491 -12.9491 -10.9731 -10.9724 -10.1749 -10.1732 -8.6582 -8.6510 -8.6117 -8.6034 -3.3854 -3.3837 -2.0419 -2.0361 -1.4828 -1.4809 -1.2400 -1.2319 -1.1055 -1.0965 0.2448 0.2536 0.7361 0.7387 1.1505 1.1625 1.4831 1.4921 2.3914 2.3932 2.4564 2.4712 2.6399 2.6425 3.1094 3.1134 3.5704 3.5769 3.9949 3.9973 4.0279 4.0288 4.7018 4.7038 5.0756 5.0830 12.2693 12.2800 12.5084 12.5133 12.8395 12.8432 13.3912 13.4000 13.6790 13.6841 k = 0.2848 0.4615-0.0000 ( 4275 PWs) bands (ev): -13.2856 -13.2855 -12.9496 -12.9496 -11.0193 -11.0186 -10.1362 -10.1344 -8.6753 -8.6682 -8.6038 -8.5953 -3.3857 -3.3840 -1.9889 -1.9830 -1.4472 -1.4455 -1.2210 -1.2129 -1.1608 -1.1519 0.1579 0.1663 0.7715 0.7743 1.1129 1.1249 1.5510 1.5604 2.3573 2.3588 2.4858 2.5008 2.6302 2.6323 3.0945 3.0976 3.5683 3.5746 3.9580 3.9601 4.0639 4.0649 4.7215 4.7236 5.0476 5.0550 12.2735 12.2846 12.5356 12.5400 12.8593 12.8621 13.3284 13.3368 13.7384 13.7437 k = 0.2934 0.4755-0.0000 ( 4277 PWs) bands (ev): -13.2753 -13.2751 -12.9500 -12.9500 -11.0639 -11.0632 -10.0965 -10.0946 -8.6925 -8.6857 -8.5969 -8.5884 -3.3875 -3.3859 -1.9360 -1.9301 -1.4144 -1.4127 -1.2155 -1.2050 -1.1960 -1.1898 0.0702 0.0783 0.8048 0.8078 1.0753 1.0874 1.6192 1.6289 2.3249 2.3263 2.5140 2.5291 2.6216 2.6231 3.0788 3.0808 3.5671 3.5733 3.9216 3.9234 4.1016 4.1028 4.7420 4.7442 5.0191 5.0264 12.2780 12.2894 12.5500 12.5534 12.8902 12.8917 13.2657 13.2736 13.7890 13.7938 k = 0.3021 0.4894-0.0000 ( 4275 PWs) bands (ev): -13.2652 -13.2651 -12.9503 -12.9503 -11.1069 -11.1063 -10.0558 -10.0537 -8.7099 -8.7033 -8.5913 -8.5826 -3.3909 -3.3893 -1.8838 -1.8779 -1.3838 -1.3823 -1.2643 -1.2546 -1.1701 -1.1633 -0.0180 -0.0103 0.8358 0.8390 1.0376 1.0496 1.6874 1.6974 2.2945 2.2958 2.5411 2.5562 2.6139 2.6147 3.0622 3.0631 3.5668 3.5728 3.8859 3.8874 4.1409 4.1422 4.7633 4.7656 4.9900 4.9972 12.2825 12.2943 12.5527 12.5553 12.9306 12.9310 13.2041 13.2117 13.8272 13.8313 k = 0.3107 0.5034-0.0000 ( 4275 PWs) bands (ev): -13.2556 -13.2554 -12.9505 -12.9505 -11.1483 -11.1478 -10.0140 -10.0119 -8.7272 -8.7209 -8.5869 -8.5782 -3.3956 -3.3940 -1.8335 -1.8278 -1.3551 -1.3536 -1.3091 -1.2994 -1.1407 -1.1341 -0.1064 -0.0991 0.8644 0.8677 0.9994 1.0115 1.7553 1.7655 2.2660 2.2674 2.5671 2.5823 2.6070 2.6071 3.0447 3.0449 3.5671 3.5732 3.8512 3.8522 4.1815 4.1830 4.7853 4.7878 4.9606 4.9677 12.2871 12.2992 12.5464 12.5483 12.9773 12.9779 13.1448 13.1520 13.8538 13.8568 k = 0.3193 0.5174-0.0000 ( 4275 PWs) bands (ev): -13.2463 -13.2462 -12.9505 -12.9505 -11.1880 -11.1875 -9.9714 -9.9691 -8.7445 -8.7384 -8.5840 -8.5752 -3.4015 -3.4000 -1.7871 -1.7815 -1.3476 -1.3372 -1.3271 -1.3261 -1.1094 -1.1032 -0.1948 -0.1879 0.8905 0.8939 0.9608 0.9728 1.8224 1.8330 2.2396 2.2409 2.5919 2.5991 2.6013 2.6083 3.0257 3.0270 3.5680 3.5742 3.8174 3.8178 4.2234 4.2251 4.8079 4.8105 4.9310 4.9380 12.2915 12.3037 12.5339 12.5353 13.0283 13.0297 13.0886 13.0954 13.8719 13.8741 k = 0.3280 0.5314-0.0000 ( 4269 PWs) bands (ev): -13.2375 -13.2373 -12.9505 -12.9505 -11.2261 -11.2257 -9.9279 -9.9255 -8.7615 -8.7557 -8.5826 -8.5738 -3.4085 -3.4070 -1.7478 -1.7425 -1.3749 -1.3644 -1.3006 -1.2994 -1.0770 -1.0712 -0.2828 -0.2763 0.9138 0.9161 0.9227 0.9336 1.8886 1.8994 2.2151 2.2164 2.5930 2.5951 2.6169 2.6322 3.0062 3.0086 3.5694 3.5759 3.7845 3.7848 4.2665 4.2683 4.8311 4.8337 4.9013 4.9083 12.2954 12.3077 12.5172 12.5182 13.0358 13.0425 13.0826 13.0842 13.8841 13.8857 k = 0.3366 0.5454-0.0000 ( 4265 PWs) bands (ev): -13.2291 -13.2289 -12.9504 -12.9504 -11.2625 -11.2621 -9.8836 -9.8810 -8.7783 -8.7727 -8.5829 -8.5741 -3.4164 -3.4150 -1.7201 -1.7152 -1.3871 -1.3764 -1.2745 -1.2734 -1.0441 -1.0386 -0.3703 -0.3641 0.8806 0.8928 0.9351 0.9387 1.9534 1.9644 2.1926 2.1940 2.5870 2.5902 2.6404 2.6558 2.9865 2.9901 3.5710 3.5781 3.7523 3.7536 4.3106 4.3126 4.8546 4.8573 4.8718 4.8787 12.2985 12.3108 12.4976 12.4984 12.9884 12.9945 13.1380 13.1401 13.8921 13.8933 k = 0.3452 0.5594-0.0000 ( 4273 PWs) bands (ev): -13.2211 -13.2210 -12.9501 -12.9501 -11.2971 -11.2968 -9.8386 -9.8359 -8.7946 -8.7893 -8.5849 -8.5760 -3.4250 -3.4236 -1.7081 -1.7034 -1.3800 -1.3690 -1.2489 -1.2479 -1.0111 -1.0060 -0.4568 -0.4510 0.8392 0.8514 0.9533 0.9570 2.0166 2.0278 2.1721 2.1735 2.5813 2.5857 2.6632 2.6786 2.9667 2.9715 3.5727 3.5806 3.7214 3.7240 4.3555 4.3577 4.8426 4.8492 4.8783 4.8813 12.3005 12.3124 12.4763 12.4769 12.9465 12.9519 13.1944 13.1968 13.8967 13.8977 k = 0.3452 0.5594-0.0000 ( 4273 PWs) bands (ev): -13.2211 -13.2210 -12.9501 -12.9501 -11.2971 -11.2968 -9.8386 -9.8359 -8.7946 -8.7893 -8.5849 -8.5760 -3.4250 -3.4236 -1.7081 -1.7034 -1.3800 -1.3690 -1.2489 -1.2479 -1.0111 -1.0060 -0.4568 -0.4510 0.8392 0.8514 0.9533 0.9570 2.0166 2.0278 2.1721 2.1735 2.5813 2.5857 2.6632 2.6786 2.9667 2.9715 3.5727 3.5806 3.7214 3.7240 4.3555 4.3577 4.8426 4.8492 4.8783 4.8813 12.3005 12.3124 12.4763 12.4769 12.9465 12.9519 13.1944 13.1968 13.8967 13.8977 k = 0.3288 0.5594-0.0000 ( 4275 PWs) bands (ev): -13.2255 -13.2254 -12.9504 -12.9504 -11.2782 -11.2778 -9.8627 -9.8601 -8.7860 -8.7806 -8.5835 -8.5747 -3.4200 -3.4185 -1.7187 -1.7140 -1.3865 -1.3756 -1.2620 -1.2609 -1.0245 -1.0192 -0.4099 -0.4039 0.8624 0.8746 0.9434 0.9471 1.9825 1.9936 2.1836 2.1850 2.5780 2.5826 2.6566 2.6712 2.9779 2.9821 3.5716 3.5791 3.7371 3.7391 4.3322 4.3343 4.8527 4.8560 4.8744 4.8757 12.2996 12.3117 12.4873 12.4882 12.9653 12.9711 13.1653 13.1675 13.8820 13.8832 k = 0.3124 0.5594-0.0000 ( 4279 PWs) bands (ev): -13.2304 -13.2303 -12.9510 -12.9510 -11.2570 -11.2566 -9.8876 -9.8850 -8.7772 -8.7716 -8.5825 -8.5737 -3.4142 -3.4127 -1.7453 -1.7408 -1.3901 -1.3794 -1.2732 -1.2722 -1.0294 -1.0240 -0.3602 -0.3540 0.8866 0.8979 0.9328 0.9372 1.9456 1.9566 2.1976 2.1989 2.5618 2.5678 2.6609 2.6734 2.9902 2.9940 3.5702 3.5774 3.7519 3.7535 4.3103 4.3122 4.8447 4.8457 4.8875 4.8919 12.2989 12.3110 12.4968 12.4981 12.9801 12.9863 13.1379 13.1399 13.8698 13.8711 k = 0.2959 0.5594-0.0000 ( 4277 PWs) bands (ev): -13.2358 -13.2357 -12.9519 -12.9519 -11.2336 -11.2331 -9.9131 -9.9106 -8.7683 -8.7625 -8.5817 -8.5729 -3.4074 -3.4059 -1.7846 -1.7803 -1.3945 -1.3843 -1.2820 -1.2812 -1.0247 -1.0193 -0.3086 -0.3023 0.9004 0.9066 0.9331 0.9424 1.9062 1.9171 2.2136 2.2148 2.5370 2.5444 2.6718 2.6825 3.0035 3.0070 3.5683 3.5754 3.7646 3.7662 4.2907 4.2925 4.8323 4.8337 4.9064 4.9116 12.2994 12.3115 12.5046 12.5063 12.9893 12.9956 13.1135 13.1151 13.8626 13.8639 k = 0.2795 0.5594-0.0000 ( 4284 PWs) bands (ev): -13.2415 -13.2414 -12.9531 -12.9530 -11.2082 -11.2077 -9.9394 -9.9369 -8.7592 -8.7533 -8.5813 -8.5725 -3.3997 -3.3982 -1.8330 -1.8291 -1.4019 -1.3922 -1.2897 -1.2889 -1.0099 -1.0046 -0.2558 -0.2495 0.8901 0.8939 0.9580 0.9696 1.8645 1.8753 2.2316 2.2326 2.5077 2.5158 2.6855 2.6949 3.0173 3.0206 3.5659 3.5730 3.7744 3.7762 4.2742 4.2758 4.8207 4.8223 4.9265 4.9319 12.3016 12.3135 12.5104 12.5127 12.9910 12.9969 13.0936 13.0946 13.8608 13.8620 k = 0.2630 0.5594-0.0000 ( 4286 PWs) bands (ev): -13.2474 -13.2473 -12.9545 -12.9545 -11.1809 -11.1804 -9.9663 -9.9640 -8.7500 -8.7440 -8.5812 -8.5724 -3.3908 -3.3893 -1.8876 -1.8840 -1.4119 -1.4029 -1.2980 -1.2968 -0.9860 -0.9808 -0.2025 -0.1961 0.8729 0.8762 0.9907 1.0027 1.8208 1.8315 2.2511 2.2519 2.4757 2.4842 2.7002 2.7087 3.0315 3.0347 3.5628 3.5701 3.7803 3.7826 4.2615 4.2628 4.8104 4.8121 4.9468 4.9523 12.3058 12.3176 12.5147 12.5174 12.9837 12.9888 13.0788 13.0801 13.8647 13.8659 k = 0.2466 0.5594-0.0000 ( 4293 PWs) bands (ev): -13.2534 -13.2533 -12.9562 -12.9561 -11.1520 -11.1515 -9.9940 -9.9917 -8.7407 -8.7346 -8.5813 -8.5726 -3.3807 -3.3791 -1.9463 -1.9431 -1.4236 -1.4152 -1.3075 -1.3060 -0.9545 -0.9496 -0.1492 -0.1429 0.8537 0.8568 1.0265 1.0386 1.7753 1.7859 2.2720 2.2723 2.4421 2.4506 2.7150 2.7228 3.0459 3.0490 3.5590 3.5665 3.7818 3.7848 4.2530 4.2541 4.8016 4.8034 4.9670 4.9726 12.3122 12.3238 12.5177 12.5209 12.9685 12.9728 13.0677 13.0702 13.8742 13.8752 k = 0.2302 0.5594-0.0000 ( 4289 PWs) bands (ev): -13.2595 -13.2593 -12.9580 -12.9579 -11.1216 -11.1211 -10.0223 -10.0202 -8.7315 -8.7252 -8.5818 -8.5731 -3.3692 -3.3676 -2.0076 -2.0047 -1.4360 -1.4282 -1.3180 -1.3164 -0.9178 -0.9131 -0.0964 -0.0902 0.8339 0.8366 1.0644 1.0765 1.7281 1.7386 2.2926 2.2934 2.4082 2.4160 2.7295 2.7367 3.0603 3.0634 3.5542 3.5620 3.7789 3.7825 4.2485 4.2496 4.7947 4.7966 4.9867 4.9923 12.3208 12.3324 12.5198 12.5234 12.9485 12.9521 13.0579 13.0614 13.8883 13.8894 k = 0.2137 0.5594-0.0000 ( 4294 PWs) bands (ev): -13.2654 -13.2653 -12.9600 -12.9599 -11.0899 -11.0894 -10.0513 -10.0492 -8.7223 -8.7159 -8.5825 -8.5739 -3.3563 -3.3547 -2.0703 -2.0676 -1.4486 -1.4413 -1.3292 -1.3274 -0.8775 -0.8730 -0.0448 -0.0386 0.8141 0.8166 1.1039 1.1160 1.6796 1.6899 2.3087 2.3128 2.3782 2.3830 2.7434 2.7502 3.0747 3.0778 3.5481 3.5564 3.7720 3.7764 4.2478 4.2490 4.7898 4.7917 5.0057 5.0112 12.3317 12.3431 12.5214 12.5254 12.9262 12.9294 13.0474 13.0516 13.9040 13.9062 k = 0.1973 0.5594-0.0000 ( 4296 PWs) bands (ev): -13.2713 -13.2712 -12.9620 -12.9619 -11.0572 -11.0566 -10.0810 -10.0789 -8.7132 -8.7067 -8.5836 -8.5750 -3.3419 -3.3403 -2.1334 -2.1310 -1.4609 -1.4542 -1.3404 -1.3386 -0.8352 -0.8309 0.0052 0.0111 0.7953 0.7974 1.1448 1.1568 1.6299 1.6401 2.3042 2.3155 2.3663 2.3686 2.7564 2.7628 3.0888 3.0920 3.5406 3.5492 3.7620 3.7671 4.2500 4.2513 4.7869 4.7889 5.0238 5.0292 12.3448 12.3561 12.5229 12.5272 12.9031 12.9061 13.0353 13.0399 13.9124 13.9169 k = 0.1808 0.5594-0.0000 ( 4295 PWs) bands (ev): -13.2769 -13.2768 -12.9641 -12.9640 -11.0236 -11.0229 -10.1111 -10.1091 -8.7043 -8.6976 -8.5849 -8.5764 -3.3260 -3.3244 -2.1963 -2.1941 -1.4728 -1.4666 -1.3513 -1.3495 -0.7919 -0.7878 0.0527 0.0583 0.7785 0.7801 1.1865 1.1985 1.5794 1.5895 2.2741 2.2868 2.3807 2.3842 2.7684 2.7745 3.1027 3.1059 3.5312 3.5402 3.7501 3.7559 4.2542 4.2557 4.7863 4.7883 5.0408 5.0460 12.3598 12.3710 12.5247 12.5293 12.8802 12.8830 13.0215 13.0264 13.9008 13.9061 k = 0.1644 0.5594-0.0000 ( 4294 PWs) bands (ev): -13.2822 -13.2822 -12.9662 -12.9661 -10.9894 -10.9887 -10.1416 -10.1398 -8.6955 -8.6887 -8.5866 -8.5781 -3.3087 -3.3070 -2.2584 -2.2563 -1.4841 -1.4785 -1.3616 -1.3599 -0.7487 -0.7448 0.0969 0.1021 0.7646 0.7657 1.2287 1.2406 1.5286 1.5385 2.2361 2.2486 2.4040 2.4073 2.7792 2.7851 3.1163 3.1195 3.5198 3.5290 3.7377 3.7438 4.2595 4.2611 4.7877 4.7898 5.0564 5.0615 12.3765 12.3875 12.5271 12.5320 12.8579 12.8607 13.0061 13.0112 13.8765 13.8814 k = 0.1480 0.5594-0.0000 ( 4296 PWs) bands (ev): -13.2873 -13.2872 -12.9682 -12.9682 -10.9548 -10.9542 -10.1724 -10.1707 -8.6869 -8.6800 -8.5885 -8.5801 -3.2899 -3.2882 -2.3189 -2.3170 -1.4947 -1.4896 -1.3711 -1.3695 -0.7061 -0.7024 0.1368 0.1415 0.7551 0.7556 1.2699 1.2817 1.4785 1.4884 2.1957 2.2079 2.4292 2.4321 2.7887 2.7943 3.1295 3.1327 3.5063 3.5154 3.7258 3.7320 4.2652 4.2668 4.7910 4.7931 5.0706 5.0754 12.3945 12.4053 12.5304 12.5355 12.8368 12.8395 12.9894 12.9946 13.8480 13.8525 k = 0.1315 0.5594-0.0000 ( 4296 PWs) bands (ev): -13.2919 -13.2918 -12.9701 -12.9701 -10.9203 -10.9196 -10.2033 -10.2016 -8.6786 -8.6716 -8.5908 -8.5824 -3.2698 -3.2682 -2.3774 -2.3756 -1.5044 -1.4999 -1.3796 -1.3781 -0.6650 -0.6616 0.1712 0.1752 0.7509 0.7517 1.3065 1.3179 1.4330 1.4430 2.1541 2.1661 2.4546 2.4573 2.7968 2.8022 3.1422 3.1455 3.4908 3.4996 3.7152 3.7213 4.2706 4.2721 4.7960 4.7981 5.0833 5.0878 12.4132 12.4238 12.5349 12.5402 12.8174 12.8199 12.9716 12.9770 13.8180 13.8222 k = 0.1151 0.5594-0.0000 ( 4304 PWs) bands (ev): -13.2961 -13.2960 -12.9719 -12.9719 -10.8862 -10.8855 -10.2339 -10.2324 -8.6705 -8.6635 -8.5934 -8.5851 -3.2487 -3.2471 -2.4332 -2.4315 -1.5132 -1.5093 -1.3871 -1.3858 -0.6260 -0.6229 0.1992 0.2024 0.7534 0.7553 1.3202 1.3308 1.4098 1.4209 2.1121 2.1238 2.4795 2.4821 2.8035 2.8086 3.1545 3.1577 3.4736 3.4819 3.7063 3.7120 4.2754 4.2768 4.8023 4.8043 5.0944 5.0985 12.4319 12.4423 12.5405 12.5460 12.8001 12.8026 12.9529 12.9586 13.7878 13.7916 k = 0.0986 0.5594-0.0000 ( 4306 PWs) bands (ev): -13.2998 -13.2997 -12.9736 -12.9735 -10.8529 -10.8522 -10.2640 -10.2625 -8.6628 -8.6557 -8.5963 -8.5881 -3.2269 -3.2254 -2.4856 -2.4841 -1.5210 -1.5176 -1.3936 -1.3925 -0.5899 -0.5870 0.2201 0.2224 0.7640 0.7669 1.2899 1.2996 1.4305 1.4419 2.0701 2.0815 2.5034 2.5057 2.8088 2.8135 3.1663 3.1694 3.4555 3.4631 3.6992 3.7043 4.2794 4.2807 4.8093 4.8112 5.1039 5.1076 12.4499 12.4600 12.5473 12.5529 12.7858 12.7884 12.9335 12.9393 13.7584 13.7619 k = 0.0822 0.5594-0.0000 ( 4300 PWs) bands (ev): -13.3030 -13.3029 -12.9750 -12.9750 -10.8211 -10.8204 -10.2928 -10.2915 -8.6554 -8.6483 -8.5995 -8.5915 -3.2051 -3.2037 -2.5337 -2.5323 -1.5277 -1.5249 -1.3990 -1.3981 -0.5572 -0.5547 0.2341 0.2357 0.7829 0.7868 1.2424 1.2516 1.4678 1.4787 2.0287 2.0398 2.5254 2.5276 2.8127 2.8170 3.1775 3.1804 3.4373 3.4440 3.6939 3.6981 4.2826 4.2837 4.8165 4.8183 5.1118 5.1150 12.4666 12.4762 12.5544 12.5600 12.7754 12.7784 12.9134 12.9194 13.7310 13.7340 k = 0.0658 0.5594-0.0000 ( 4300 PWs) bands (ev): -13.3056 -13.3056 -12.9762 -12.9762 -10.7917 -10.7911 -10.3197 -10.3186 -8.6484 -8.6413 -8.6029 -8.5951 -3.1840 -3.1828 -2.5765 -2.5753 -1.5332 -1.5310 -1.4034 -1.4027 -0.5288 -0.5267 0.2422 0.2432 0.8094 0.8143 1.1914 1.2002 1.5073 1.5176 1.9890 1.9993 2.5451 2.5470 2.8154 2.8191 3.1878 3.1905 3.4200 3.4257 3.6899 3.6934 4.2850 4.2859 4.8235 4.8249 5.1182 5.1209 12.4817 12.4905 12.5609 12.5664 12.7699 12.7738 12.8927 12.8990 13.7066 13.7091 k = 0.0493 0.5594-0.0000 ( 4298 PWs) bands (ev): -13.3077 -13.3077 -12.9772 -12.9772 -10.7659 -10.7654 -10.3434 -10.3425 -8.6419 -8.6349 -8.6066 -8.5991 -3.1650 -3.1639 -2.6125 -2.6116 -1.5375 -1.5358 -1.4068 -1.4063 -0.5056 -0.5039 0.2460 0.2465 0.8425 0.8481 1.1400 1.1484 1.5451 1.5542 1.9525 1.9616 2.5616 2.5632 2.8172 2.8202 3.1971 3.1993 3.4047 3.4092 3.6873 3.6899 4.2867 4.2874 4.8295 4.8307 5.1231 5.1252 12.4947 12.5024 12.5656 12.5707 12.7705 12.7753 12.8717 12.8781 13.6863 13.6883 k = 0.0329 0.5594-0.0000 ( 4298 PWs) bands (ev): -13.3092 -13.3092 -12.9779 -12.9779 -10.7453 -10.7449 -10.3624 -10.3617 -8.6359 -8.6294 -8.6101 -8.6033 -3.1494 -3.1487 -2.6402 -2.6395 -1.5405 -1.5394 -1.4092 -1.4088 -0.4882 -0.4871 0.2471 0.2474 0.8800 0.8860 1.0903 1.0981 1.5781 1.5853 1.9216 1.9289 2.5742 2.5753 2.8183 2.8204 3.2047 3.2064 3.3927 3.3958 3.6856 3.6874 4.2879 4.2884 4.8343 4.8351 5.1267 5.1281 12.5055 12.5114 12.5681 12.5724 12.7773 12.7828 12.8508 12.8573 13.6711 13.6724 k = 0.0164 0.5594-0.0000 ( 4302 PWs) bands (ev): -13.3101 -13.3101 -12.9783 -12.9783 -10.7318 -10.7315 -10.3748 -10.3745 -8.6305 -8.6259 -8.6123 -8.6075 -3.1390 -3.1386 -2.6578 -2.6574 -1.5422 -1.5417 -1.4106 -1.4104 -0.4773 -0.4768 0.2471 0.2472 0.9182 0.9236 1.0461 1.0523 1.6024 1.6065 1.9007 1.9049 2.5822 2.5828 2.8190 2.8201 3.2099 3.2108 3.3851 3.3868 3.6848 3.6857 4.2886 4.2888 4.8374 4.8378 5.1289 5.1296 12.5134 12.5168 12.5693 12.5718 12.7891 12.7947 12.8314 12.8373 13.6618 13.6625 k = 0.0000 0.5594-0.0000 ( 4304 PWs) bands (ev): -13.3104 -13.3104 -12.9784 -12.9784 -10.7269 -10.7269 -10.3791 -10.3791 -8.6266 -8.6266 -8.6112 -8.6112 -3.1352 -3.1352 -2.6637 -2.6637 -1.5426 -1.5426 -1.4110 -1.4110 -0.4735 -0.4735 0.2470 0.2470 0.9424 0.9424 1.0254 1.0254 1.6129 1.6129 1.8945 1.8945 2.5852 2.5852 2.8196 2.8196 3.2121 3.2121 3.3830 3.3830 3.6849 3.6849 4.2889 4.2889 4.8386 4.8386 5.1299 5.1299 12.5175 12.5175 12.5704 12.5704 12.8009 12.8009 12.8228 12.8228 13.6589 13.6589 k = 0.0000 0.5594-0.0000 ( 4304 PWs) bands (ev): -13.3104 -13.3104 -12.9784 -12.9784 -10.7269 -10.7269 -10.3791 -10.3791 -8.6266 -8.6266 -8.6112 -8.6112 -3.1352 -3.1352 -2.6637 -2.6637 -1.5426 -1.5426 -1.4110 -1.4110 -0.4735 -0.4735 0.2470 0.2470 0.9424 0.9424 1.0254 1.0254 1.6129 1.6129 1.8945 1.8945 2.5852 2.5852 2.8196 2.8196 3.2121 3.2121 3.3830 3.3830 3.6849 3.6849 4.2889 4.2889 4.8386 4.8386 5.1299 5.1299 12.5175 12.5175 12.5704 12.5704 12.8009 12.8009 12.8228 12.8228 13.6589 13.6589 k = 0.0000 0.5594 0.0163 ( 4300 PWs) bands (ev): -13.3102 -13.3102 -12.9785 -12.9785 -10.7261 -10.7261 -10.3785 -10.3784 -8.6282 -8.6281 -8.6130 -8.6129 -3.1347 -3.1346 -2.6630 -2.6628 -1.5421 -1.5420 -1.4085 -1.4083 -0.4721 -0.4719 0.2462 0.2464 0.9401 0.9402 1.0233 1.0237 1.6132 1.6132 1.8953 1.8953 2.5828 2.5829 2.8203 2.8203 3.2140 3.2141 3.3837 3.3838 3.6844 3.6845 4.2892 4.2893 4.8386 4.8386 5.1297 5.1297 12.5138 12.5143 12.5651 12.5657 12.8036 12.8047 12.8195 12.8198 13.6629 13.6630 k = 0.0000 0.5594 0.0326 ( 4302 PWs) bands (ev): -13.3094 -13.3094 -12.9789 -12.9789 -10.7236 -10.7236 -10.3766 -10.3765 -8.6330 -8.6327 -8.6183 -8.6182 -3.1331 -3.1329 -2.6608 -2.6603 -1.5403 -1.5401 -1.4009 -1.4004 -0.4680 -0.4675 0.2439 0.2443 0.9333 0.9336 1.0175 1.0182 1.6143 1.6143 1.8976 1.8976 2.5760 2.5761 2.8223 2.8225 3.2198 3.2199 3.3858 3.3861 3.6830 3.6831 4.2900 4.2902 4.8388 4.8388 5.1290 5.1290 12.5031 12.5042 12.5507 12.5516 12.8064 12.8080 12.8160 12.8167 13.6745 13.6747 k = 0.0000 0.5594 0.0489 ( 4292 PWs) bands (ev): -13.3081 -13.3081 -12.9794 -12.9794 -10.7195 -10.7195 -10.3735 -10.3734 -8.6409 -8.6405 -8.6271 -8.6270 -3.1305 -3.1301 -2.6570 -2.6563 -1.5374 -1.5372 -1.3881 -1.3874 -0.4609 -0.4603 0.2402 0.2408 0.9225 0.9230 1.0081 1.0092 1.6158 1.6159 1.9012 1.9012 2.5650 2.5652 2.8256 2.8259 3.2290 3.2291 3.3894 3.3898 3.6806 3.6809 4.2914 4.2917 4.8391 4.8392 5.1278 5.1278 12.4858 12.4873 12.5292 12.5301 12.7926 12.7940 12.8285 12.8302 13.6921 13.6924 k = 0.0000 0.5594 0.0652 ( 4294 PWs) bands (ev): -13.3063 -13.3063 -12.9802 -12.9801 -10.7138 -10.7138 -10.3692 -10.3690 -8.6519 -8.6513 -8.6394 -8.6392 -3.1267 -3.1262 -2.6518 -2.6509 -1.5334 -1.5331 -1.3703 -1.3695 -0.4509 -0.4500 0.2348 0.2356 0.9082 0.9088 0.9955 0.9969 1.6176 1.6177 1.9059 1.9059 2.5505 2.5507 2.8301 2.8304 3.2411 3.2413 3.3945 3.3950 3.6773 3.6776 4.2933 4.2937 4.8395 4.8396 5.1261 5.1261 12.4623 12.4641 12.5024 12.5033 12.7736 12.7752 12.8456 12.8475 13.7135 13.7140 k = 0.0000 0.5594 0.0816 ( 4296 PWs) bands (ev): -13.3040 -13.3040 -12.9811 -12.9811 -10.7064 -10.7064 -10.3636 -10.3634 -8.6659 -8.6652 -8.6549 -8.6547 -3.1218 -3.1213 -2.6452 -2.6442 -1.5285 -1.5281 -1.3478 -1.3467 -0.4379 -0.4369 0.2277 0.2287 0.8910 0.8918 0.9800 0.9817 1.6193 1.6194 1.9112 1.9113 2.5331 2.5334 2.8356 2.8360 3.2555 3.2558 3.4011 3.4017 3.6730 3.6735 4.2957 4.2962 4.8400 4.8401 5.1240 5.1240 12.4332 12.4353 12.4722 12.4729 12.7521 12.7538 12.8649 12.8668 13.7361 13.7369 k = 0.0000 0.5594 0.0979 ( 4302 PWs) bands (ev): -13.3012 -13.3012 -12.9823 -12.9823 -10.6974 -10.6974 -10.3567 -10.3565 -8.6829 -8.6820 -8.6736 -8.6733 -3.1158 -3.1152 -2.6373 -2.6362 -1.5226 -1.5222 -1.3207 -1.3194 -0.4219 -0.4207 0.2188 0.2200 0.8717 0.8726 0.9621 0.9640 1.6205 1.6207 1.9167 1.9168 2.5135 2.5138 2.8418 2.8422 3.2716 3.2719 3.4092 3.4098 3.6678 3.6683 4.2985 4.2991 4.8406 4.8407 5.1213 5.1213 12.3996 12.4016 12.4397 12.4402 12.7293 12.7310 12.8855 12.8873 13.7576 13.7587 k = 0.0000 0.5594 0.1142 ( 4296 PWs) bands (ev): -13.2980 -13.2979 -12.9837 -12.9837 -10.6868 -10.6867 -10.3486 -10.3483 -8.7031 -8.7020 -8.6951 -8.6947 -3.1087 -3.1079 -2.6284 -2.6271 -1.5160 -1.5155 -1.2893 -1.2878 -0.4028 -0.4014 0.2078 0.2093 0.8512 0.8522 0.9421 0.9443 1.6211 1.6213 1.9220 1.9221 2.4925 2.4928 2.8485 2.8489 3.2887 3.2890 3.4187 3.4193 3.6617 3.6623 4.3016 4.3023 4.8412 4.8413 5.1182 5.1183 12.3625 12.3644 12.4062 12.4066 12.7061 12.7077 12.9070 12.9085 13.7760 13.7775 k = 0.0000 0.5594 0.1305 ( 4294 PWs) bands (ev): -13.2942 -13.2942 -12.9854 -12.9854 -10.6745 -10.6744 -10.3393 -10.3389 -8.7265 -8.7254 -8.7188 -8.7185 -3.1004 -3.0996 -2.6185 -2.6170 -1.5087 -1.5082 -1.2540 -1.2523 -0.3807 -0.3790 0.1947 0.1964 0.8301 0.8313 0.9206 0.9231 1.6207 1.6210 1.9264 1.9266 2.4708 2.4710 2.8554 2.8557 3.3063 3.3066 3.4296 3.4303 3.6547 3.6553 4.3049 4.3057 4.8419 4.8420 5.1147 5.1147 12.3231 12.3248 12.3727 12.3728 12.6829 12.6845 12.9289 12.9301 13.7902 13.7920 k = 0.0000 0.5594 0.1468 ( 4294 PWs) bands (ev): -13.2900 -13.2900 -12.9873 -12.9872 -10.6606 -10.6605 -10.3287 -10.3283 -8.7533 -8.7523 -8.7444 -8.7443 -3.0910 -3.0901 -2.6078 -2.6063 -1.5008 -1.5003 -1.2151 -1.2132 -0.3554 -0.3536 0.1794 0.1812 0.8094 0.8107 0.8980 0.9008 1.6193 1.6195 1.9294 1.9297 2.4490 2.4491 2.8621 2.8624 3.3238 3.3241 3.4419 3.4425 3.6469 3.6476 4.3083 4.3091 4.8426 4.8427 5.1106 5.1107 12.2826 12.2840 12.3399 12.3400 12.6602 12.6616 12.9510 12.9518 13.7997 13.8017 k = 0.0000 0.5594 0.1631 ( 4288 PWs) bands (ev): -13.2854 -13.2853 -12.9894 -12.9894 -10.6451 -10.6450 -10.3169 -10.3165 -8.7833 -8.7825 -8.7718 -8.7717 -3.0805 -3.0795 -2.5966 -2.5949 -1.4925 -1.4920 -1.1731 -1.1710 -0.3270 -0.3250 0.1617 0.1637 0.7897 0.7911 0.8748 0.8778 1.6165 1.6168 1.9306 1.9309 2.4277 2.4278 2.8683 2.8686 3.3408 3.3412 3.4553 3.4559 3.6385 3.6392 4.3117 4.3126 4.8434 4.8435 5.1061 5.1062 12.2423 12.2434 12.3087 12.3091 12.6382 12.6394 12.9728 12.9733 13.8047 13.8070 k = 0.0000 0.5594 0.1794 ( 4290 PWs) bands (ev): -13.2803 -13.2803 -12.9918 -12.9917 -10.6280 -10.6279 -10.3038 -10.3034 -8.8162 -8.8155 -8.8012 -8.8009 -3.0689 -3.0678 -2.5849 -2.5833 -1.4839 -1.4834 -1.1286 -1.1262 -0.2955 -0.2934 0.1418 0.1440 0.7717 0.7731 0.8513 0.8547 1.6124 1.6127 1.9293 1.9298 2.4076 2.4076 2.8736 2.8738 3.3570 3.3574 3.4696 3.4700 3.6299 3.6305 4.3148 4.3158 4.8441 4.8442 5.1011 5.1012 12.2031 12.2039 12.2799 12.2805 12.6172 12.6182 12.9941 12.9942 13.8061 13.8085 k = 0.0000 0.5594 0.1957 ( 4286 PWs) bands (ev): -13.2749 -13.2748 -12.9944 -12.9944 -10.6093 -10.6092 -10.2896 -10.2891 -8.8516 -8.8510 -8.8324 -8.8320 -3.0561 -3.0549 -2.5732 -2.5714 -1.4749 -1.4745 -1.0821 -1.0796 -0.2611 -0.2588 0.1200 0.1223 0.7558 0.7573 0.8281 0.8317 1.6070 1.6073 1.9251 1.9258 2.3891 2.3892 2.8778 2.8780 3.3721 3.3725 3.4841 3.4842 3.6216 3.6220 4.3176 4.3186 4.8450 4.8451 5.0957 5.0958 12.1661 12.1666 12.2542 12.2549 12.5973 12.5981 13.0140 13.0144 13.8049 13.8074 k = 0.0000 0.5594 0.2120 ( 4292 PWs) bands (ev): -13.2691 -13.2690 -12.9973 -12.9972 -10.5891 -10.5890 -10.2741 -10.2735 -8.8893 -8.8887 -8.8654 -8.8648 -3.0422 -3.0410 -2.5614 -2.5597 -1.4656 -1.4653 -1.0344 -1.0316 -0.2240 -0.2215 0.0965 0.0989 0.7424 0.7440 0.8056 0.8094 1.6001 1.6005 1.9177 1.9184 2.3727 2.3729 2.8806 2.8807 3.3858 3.3862 3.4974 3.4976 3.6149 3.6151 4.3197 4.3209 4.8459 4.8459 5.0898 5.0900 12.1320 12.1323 12.2320 12.2331 12.5788 12.5795 13.0324 13.0333 13.8020 13.8046 k = 0.0000 0.5594 0.2284 ( 4294 PWs) bands (ev): -13.2629 -13.2628 -13.0004 -13.0004 -10.5673 -10.5671 -10.2574 -10.2568 -8.9289 -8.9284 -8.9000 -8.8993 -3.0273 -3.0260 -2.5500 -2.5484 -1.4561 -1.4558 -0.9863 -0.9834 -0.1843 -0.1818 0.0720 0.0745 0.7318 0.7335 0.7840 0.7881 1.5920 1.5923 1.9066 1.9075 2.3587 2.3591 2.8816 2.8816 3.3978 3.3983 3.5073 3.5080 3.6118 3.6119 4.3212 4.3224 4.8469 4.8469 5.0835 5.0837 12.1017 12.1018 12.2141 12.2154 12.5620 12.5625 13.0488 13.0501 13.7982 13.8009 k = 0.0000 0.5594 0.2447 ( 4300 PWs) bands (ev): -13.2563 -13.2562 -13.0039 -13.0038 -10.5439 -10.5438 -10.2395 -10.2389 -8.9704 -8.9699 -8.9361 -8.9353 -3.0113 -3.0099 -2.5392 -2.5376 -1.4461 -1.4459 -0.9388 -0.9357 -0.1426 -0.1399 0.0473 0.0499 0.7242 0.7259 0.7640 0.7683 1.5825 1.5828 1.8919 1.8929 2.3474 2.3479 2.8806 2.8807 3.4082 3.4086 3.5113 3.5126 3.6149 3.6153 4.3217 4.3229 4.8480 4.8481 5.0768 5.0770 12.0756 12.0757 12.2008 12.2023 12.5469 12.5474 13.0628 13.0645 13.7943 13.7970 k = 0.0000 0.5594 0.2610 ( 4302 PWs) bands (ev): -13.2495 -13.2494 -13.0075 -13.0075 -10.5190 -10.5189 -10.2204 -10.2198 -9.0134 -9.0130 -8.9734 -8.9725 -2.9943 -2.9929 -2.5291 -2.5276 -1.4356 -1.4356 -0.8932 -0.8899 -0.0991 -0.0963 0.0235 0.0261 0.7196 0.7213 0.7459 0.7504 1.5717 1.5720 1.8735 1.8746 2.3388 2.3394 2.8775 2.8776 3.4168 3.4171 3.5083 3.5100 3.6256 3.6264 4.3211 4.3223 4.8494 4.8494 5.0698 5.0700 12.0544 12.0547 12.1925 12.1942 12.5339 12.5343 13.0737 13.0759 13.7907 13.7934 k = 0.0000 0.5594 0.2773 ( 4292 PWs) bands (ev): -13.2423 -13.2422 -13.0115 -13.0114 -10.4926 -10.4925 -10.2002 -10.1995 -9.0578 -9.0574 -9.0118 -9.0109 -2.9763 -2.9749 -2.5200 -2.5186 -1.4247 -1.4246 -0.8509 -0.8474 -0.0546 -0.0517 0.0018 0.0045 0.7181 0.7196 0.7303 0.7349 1.5597 1.5600 1.8516 1.8528 2.3328 2.3335 2.8720 2.8722 3.4234 3.4237 3.4998 3.5017 3.6428 3.6436 4.3192 4.3205 4.8510 4.8511 5.0624 5.0626 12.0386 12.0390 12.1894 12.1913 12.5231 12.5234 13.0812 13.0839 13.7878 13.7905 k = 0.0000 0.5594 0.2936 ( 4292 PWs) bands (ev): -13.2349 -13.2348 -13.0157 -13.0157 -10.4648 -10.4646 -10.1788 -10.1781 -9.1034 -9.1030 -9.0512 -9.0503 -2.9575 -2.9559 -2.5122 -2.5110 -1.4130 -1.4128 -0.8134 -0.8098 -0.0174 -0.0151 -0.0082 -0.0057 0.7164 0.7192 0.7226 0.7230 1.5464 1.5467 1.8264 1.8277 2.3292 2.3299 2.8639 2.8642 3.4283 3.4285 3.4877 3.4898 3.6643 3.6651 4.3158 4.3171 4.8530 4.8531 5.0546 5.0549 12.0285 12.0290 12.1919 12.1939 12.5146 12.5148 13.0849 13.0880 13.7857 13.7884 k = 0.0000 0.5594 0.3099 ( 4294 PWs) bands (ev): -13.2273 -13.2272 -13.0203 -13.0202 -10.4355 -10.4353 -10.1564 -10.1557 -9.1499 -9.1495 -9.0914 -9.0904 -2.9377 -2.9362 -2.5059 -2.5048 -1.4004 -1.4000 -0.7825 -0.7788 -0.0298 -0.0270 0.0351 0.0381 0.7078 0.7130 0.7252 0.7270 1.5319 1.5321 1.7982 1.7996 2.3278 2.3285 2.8533 2.8536 3.4312 3.4314 3.4739 3.4761 3.6884 3.6892 4.3109 4.3121 4.8554 4.8555 5.0466 5.0470 12.0244 12.0250 12.1998 12.2021 12.5086 12.5088 13.0845 13.0881 13.7845 13.7869 k = 0.0000 0.5594 0.3262 ( 4292 PWs) bands (ev): -13.2195 -13.2193 -13.0251 -13.0250 -10.4048 -10.4046 -10.1330 -10.1322 -9.1972 -9.1968 -9.1322 -9.1312 -2.9172 -2.9156 -2.5012 -2.5003 -1.3867 -1.3861 -0.7600 -0.7562 -0.0364 -0.0335 0.0779 0.0808 0.7032 0.7085 0.7334 0.7352 1.5162 1.5164 1.7674 1.7688 2.3284 2.3291 2.8399 2.8403 3.4324 3.4325 3.4593 3.4616 3.7143 3.7150 4.3043 4.3054 4.8581 4.8583 5.0384 5.0388 12.0266 12.0273 12.2134 12.2159 12.5050 12.5052 13.0800 13.0840 13.7581 13.7605 k = 0.0000 0.5594 0.3425 ( 4298 PWs) bands (ev): -13.2114 -13.2113 -13.0301 -13.0300 -10.3727 -10.3725 -10.1086 -10.1077 -9.2449 -9.2445 -9.1735 -9.1724 -2.8960 -2.8943 -2.4984 -2.4977 -1.3717 -1.3709 -0.7469 -0.7430 -0.0356 -0.0326 0.1180 0.1207 0.7038 0.7091 0.7451 0.7468 1.4992 1.4994 1.7341 1.7355 2.3308 2.3316 2.8239 2.8243 3.4319 3.4320 3.4447 3.4471 3.7414 3.7420 4.2959 4.2970 4.8614 4.8616 5.0300 5.0304 12.0351 12.0358 12.2325 12.2352 12.5040 12.5043 13.0713 13.0758 13.6954 13.6979 k = 0.0000 0.5594 0.3588 ( 4300 PWs) bands (ev): -13.2033 -13.2031 -13.0355 -13.0354 -10.3394 -10.3392 -10.0833 -10.0824 -9.2930 -9.2926 -9.2150 -9.2139 -2.8741 -2.8724 -2.4976 -2.4971 -1.3552 -1.3542 -0.7437 -0.7398 -0.0273 -0.0241 0.1540 0.1565 0.7106 0.7158 0.7603 0.7619 1.4810 1.4811 1.6986 1.7000 2.3350 2.3357 2.8051 2.8055 3.4293 3.4299 3.4306 3.4336 3.7693 3.7698 4.2857 4.2868 4.8651 4.8653 5.0215 5.0220 12.0500 12.0507 12.2568 12.2597 12.5056 12.5059 13.0588 13.0638 13.6264 13.6293 k = 0.0000 0.5594 0.3751 ( 4296 PWs) bands (ev): -13.1950 -13.1948 -13.0411 -13.0410 -10.3048 -10.3045 -10.0572 -10.0563 -9.3410 -9.3406 -9.2567 -9.2556 -2.8517 -2.8500 -2.4988 -2.4986 -1.3370 -1.3358 -0.7499 -0.7461 -0.0122 -0.0089 0.1847 0.1869 0.7242 0.7291 0.7791 0.7807 1.4614 1.4614 1.6612 1.6626 2.3409 2.3415 2.7837 2.7842 3.4172 3.4192 3.4266 3.4274 3.7977 3.7981 4.2738 4.2749 4.8693 4.8696 5.0130 5.0134 12.0712 12.0719 12.2861 12.2893 12.5096 12.5101 13.0426 13.0482 13.5527 13.5558 k = 0.0000 0.5594 0.3915 ( 4298 PWs) bands (ev): -13.1866 -13.1864 -13.0470 -13.0469 -10.2690 -10.2688 -10.0306 -10.0297 -9.3888 -9.3884 -9.2983 -9.2972 -2.8288 -2.8271 -2.5023 -2.5022 -1.3171 -1.3157 -0.7646 -0.7608 0.0083 0.0117 0.2095 0.2112 0.7448 0.7494 0.8015 0.8030 1.4404 1.4405 1.6220 1.6233 2.3484 2.3490 2.7600 2.7604 3.4052 3.4073 3.4221 3.4228 3.8264 3.8268 4.2602 4.2612 4.8739 4.8742 5.0044 5.0048 12.0987 12.0992 12.3198 12.3232 12.5162 12.5168 13.0233 13.0295 13.4761 13.4794 k = 0.0000 0.5594 0.4078 ( 4304 PWs) bands (ev): -13.1781 -13.1780 -13.0532 -13.0531 -10.2322 -10.2319 -10.0038 -10.0028 -9.4358 -9.4354 -9.3397 -9.3385 -2.8056 -2.8039 -2.5081 -2.5079 -1.2953 -1.2937 -0.7860 -0.7824 0.0323 0.0358 0.2280 0.2291 0.7722 0.7764 0.8277 0.8290 1.4180 1.4182 1.5812 1.5825 2.3577 2.3582 2.7341 2.7345 3.3946 3.3968 3.4167 3.4175 3.8552 3.8555 4.2450 4.2458 4.8790 4.8793 4.9958 4.9963 12.1321 12.1326 12.3570 12.3608 12.5251 12.5259 13.0011 13.0079 13.3985 13.4021 k = 0.0000 0.5594 0.4241 ( 4306 PWs) bands (ev): -13.1696 -13.1694 -13.0596 -13.0595 -10.1944 -10.1941 -9.9770 -9.9761 -9.4816 -9.4812 -9.3806 -9.3795 -2.7822 -2.7805 -2.5161 -2.5157 -1.2716 -1.2698 -0.8128 -0.8092 0.0582 0.0617 0.2404 0.2409 0.8054 0.8090 0.8573 0.8585 1.3942 1.3944 1.5390 1.5402 2.3687 2.3692 2.7065 2.7068 3.3856 3.3879 3.4106 3.4116 3.8840 3.8843 4.2282 4.2289 4.8844 4.8848 4.9872 4.9878 12.1713 12.1716 12.3968 12.4009 12.5362 12.5373 12.9761 12.9835 13.3228 13.3266 k = 0.0000 0.5594 0.4404 ( 4300 PWs) bands (ev): -13.1611 -13.1609 -13.0663 -13.0662 -10.1558 -10.1555 -9.9512 -9.9502 -9.5253 -9.5249 -9.4209 -9.4198 -2.7587 -2.7570 -2.5262 -2.5256 -1.2460 -1.2441 -0.8434 -0.8399 0.0845 0.0880 0.2473 0.2474 0.8430 0.8461 0.8900 0.8910 1.3690 1.3694 1.4957 1.4969 2.3817 2.3820 2.6775 2.6778 3.3784 3.3807 3.4042 3.4053 3.9126 3.9129 4.2099 4.2106 4.8902 4.8907 4.9788 4.9793 12.2158 12.2160 12.4373 12.4418 12.5494 12.5508 12.9479 12.9556 13.2525 13.2562 k = 0.0000 0.5594 0.4567 ( 4298 PWs) bands (ev): -13.1526 -13.1524 -13.0732 -13.0731 -10.1166 -10.1164 -9.9274 -9.9265 -9.5657 -9.5653 -9.4603 -9.4591 -2.7352 -2.7336 -2.5383 -2.5375 -1.2185 -1.2164 -0.8768 -0.8734 0.1102 0.1136 0.2491 0.2497 0.8832 0.8859 0.9251 0.9259 1.3429 1.3433 1.4517 1.4528 2.3966 2.3969 2.6476 2.6479 3.3730 3.3752 3.3975 3.3988 3.9410 3.9412 4.1903 4.1909 4.8964 4.8969 4.9704 4.9710 12.2650 12.2651 12.4764 12.4812 12.5645 12.5662 12.9149 12.9225 13.1928 13.1959 k = 0.0000 0.5594 0.4730 ( 4298 PWs) bands (ev): -13.1441 -13.1439 -13.0804 -13.0803 -10.0772 -10.0769 -9.9078 -9.9069 -9.6005 -9.6001 -9.4984 -9.4973 -2.7119 -2.7103 -2.5523 -2.5514 -1.1892 -1.1869 -0.9119 -0.9086 0.1343 0.1376 0.2470 0.2481 0.9245 0.9268 0.9615 0.9621 1.3164 1.3168 1.4075 1.4086 2.4136 2.4139 2.6174 2.6176 3.3693 3.3715 3.3910 3.3924 3.9690 3.9691 4.1694 4.1699 4.9028 4.9033 4.9622 4.9628 12.3181 12.3182 12.5109 12.5159 12.5813 12.5834 12.8751 12.8816 13.1502 13.1520 k = 0.0000 0.5594 0.4893 ( 4294 PWs) bands (ev): -13.1357 -13.1355 -13.0878 -13.0876 -10.0380 -10.0377 -9.8956 -9.8948 -9.6265 -9.6260 -9.5347 -9.5336 -2.6890 -2.6874 -2.5680 -2.5669 -1.1583 -1.1558 -0.9480 -0.9448 0.1565 0.1597 0.2417 0.2432 0.9649 0.9668 0.9971 0.9974 1.2910 1.2914 1.3642 1.3653 2.4327 2.4329 2.5874 2.5875 3.3673 3.3694 3.3848 3.3863 3.9966 3.9966 4.1474 4.1479 4.9095 4.9100 4.9541 4.9547 12.3737 12.3741 12.5369 12.5418 12.5998 12.6023 12.8273 12.8320 13.1304 13.1305 k = 0.0000 0.5594 0.5056 ( 4304 PWs) bands (ev): -13.1273 -13.1272 -13.0953 -13.0952 -9.9997 -9.9994 -9.8949 -9.8942 -9.6396 -9.6389 -9.5685 -9.5675 -2.6666 -2.6650 -2.5853 -2.5841 -1.1257 -1.1231 -0.9845 -0.9814 0.1765 0.1795 0.2335 0.2354 1.0019 1.0036 1.0282 1.0282 1.2699 1.2702 1.3234 1.3244 2.4540 2.4541 2.5579 2.5581 3.3670 3.3690 3.3792 3.3809 4.0236 4.0236 4.1244 4.1247 4.9164 4.9170 4.9462 4.9468 12.4299 12.4304 12.5504 12.5546 12.6204 12.6233 12.7746 12.7771 13.1335 13.1349 k = 0.0000 0.5594 0.5219 ( 4310 PWs) bands (ev): -13.1191 -13.1190 -13.1031 -13.1030 -9.9636 -9.9632 -9.9076 -9.9070 -9.6377 -9.6369 -9.5985 -9.5975 -2.6448 -2.6433 -2.6040 -2.6027 -1.0918 -1.0890 -1.0209 -1.0179 0.1943 0.1971 0.2228 0.2251 1.0321 1.0334 1.0480 1.0485 1.2590 1.2591 1.2884 1.2892 2.4773 2.4774 2.5295 2.5296 3.3681 3.3701 3.3744 3.3762 4.0499 4.0500 4.1004 4.1007 4.9236 4.9242 4.9385 4.9391 12.4828 12.4829 12.5473 12.5500 12.6452 12.6480 12.7231 12.7234 13.1593 13.1617 k = 0.0000 0.5594 0.5383 ( 4304 PWs) bands (ev): -13.1110 -13.1110 -13.1109 -13.1109 -9.9318 -9.9318 -9.9313 -9.9313 -9.6227 -9.6227 -9.6218 -9.6218 -2.6239 -2.6239 -2.6225 -2.6225 -1.0568 -1.0568 -1.0539 -1.0539 0.2097 0.2097 0.2122 0.2122 1.0495 1.0495 1.0505 1.0505 1.2649 1.2649 1.2654 1.2654 2.5025 2.5025 2.5027 2.5027 3.3707 3.3707 3.3726 3.3726 4.0755 4.0755 4.0757 4.0757 4.9309 4.9309 4.9315 4.9315 12.5243 12.5243 12.5253 12.5253 12.6784 12.6784 12.6801 12.6801 13.2042 13.2042 k = 0.0000 0.5594 0.5383 ( 4304 PWs) bands (ev): -13.1110 -13.1110 -13.1109 -13.1109 -9.9318 -9.9318 -9.9313 -9.9313 -9.6227 -9.6227 -9.6218 -9.6218 -2.6239 -2.6239 -2.6225 -2.6225 -1.0568 -1.0568 -1.0539 -1.0539 0.2097 0.2097 0.2122 0.2122 1.0495 1.0495 1.0505 1.0505 1.2649 1.2649 1.2654 1.2654 2.5025 2.5025 2.5027 2.5027 3.3707 3.3707 3.3726 3.3726 4.0755 4.0755 4.0757 4.0757 4.9309 4.9309 4.9315 4.9315 12.5243 12.5243 12.5253 12.5253 12.6784 12.6784 12.6801 12.6801 13.2042 13.2042 k = 0.0164 0.5594 0.5383 ( 4300 PWs) bands (ev): -13.1109 -13.1109 -13.1107 -13.1107 -9.9342 -9.9342 -9.9336 -9.9336 -9.6207 -9.6207 -9.6197 -9.6197 -2.6221 -2.6221 -2.6207 -2.6207 -1.0599 -1.0599 -1.0570 -1.0570 0.2113 0.2113 0.2139 0.2139 1.0459 1.0459 1.0485 1.0485 1.2671 1.2671 1.2698 1.2698 2.5015 2.5015 2.5019 2.5019 3.3719 3.3719 3.3738 3.3738 4.0760 4.0760 4.0763 4.0763 4.9290 4.9290 4.9296 4.9296 12.5231 12.5231 12.5246 12.5246 12.6793 12.6793 12.6814 12.6814 13.2033 13.2033 k = 0.0329 0.5594 0.5383 ( 4304 PWs) bands (ev): -13.1104 -13.1104 -13.1102 -13.1102 -9.9409 -9.9409 -9.9402 -9.9402 -9.6149 -9.6149 -9.6138 -9.6138 -2.6169 -2.6169 -2.6154 -2.6154 -1.0691 -1.0691 -1.0662 -1.0662 0.2161 0.2161 0.2187 0.2187 1.0372 1.0372 1.0416 1.0416 1.2754 1.2754 1.2804 1.2804 2.4986 2.4986 2.4995 2.4995 3.3755 3.3755 3.3775 3.3775 4.0773 4.0773 4.0778 4.0778 4.9230 4.9230 4.9238 4.9238 12.5198 12.5198 12.5221 12.5221 12.6820 12.6820 12.6850 12.6850 13.2007 13.2007 k = 0.0493 0.5594 0.5383 ( 4300 PWs) bands (ev): -13.1095 -13.1095 -13.1094 -13.1094 -9.9516 -9.9516 -9.9507 -9.9507 -9.6058 -9.6058 -9.6046 -9.6046 -2.6082 -2.6082 -2.6067 -2.6067 -1.0843 -1.0843 -1.0815 -1.0815 0.2239 0.2239 0.2266 0.2266 1.0248 1.0248 1.0305 1.0305 1.2889 1.2889 1.2957 1.2957 2.4941 2.4941 2.4954 2.4954 3.3813 3.3813 3.3834 3.3834 4.0795 4.0795 4.0803 4.0803 4.9132 4.9132 4.9142 4.9142 12.5148 12.5148 12.5179 12.5179 12.6865 12.6865 12.6903 12.6903 13.1965 13.1965 k = 0.0658 0.5594 0.5383 ( 4286 PWs) bands (ev): -13.1083 -13.1083 -13.1082 -13.1082 -9.9655 -9.9655 -9.9644 -9.9644 -9.5939 -9.5939 -9.5926 -9.5926 -2.5960 -2.5960 -2.5945 -2.5945 -1.1052 -1.1052 -1.1024 -1.1024 0.2344 0.2344 0.2372 0.2372 1.0099 1.0099 1.0166 1.0166 1.3063 1.3063 1.3144 1.3144 2.4881 2.4881 2.4897 2.4897 3.3892 3.3892 3.3914 3.3914 4.0829 4.0829 4.0839 4.0839 4.8996 4.8996 4.9008 4.9008 12.5086 12.5086 12.5123 12.5123 12.6925 12.6925 12.6971 12.6971 13.1909 13.1909 k = 0.0822 0.5594 0.5383 ( 4290 PWs) bands (ev): -13.1068 -13.1068 -13.1067 -13.1067 -9.9820 -9.9820 -9.9808 -9.9808 -9.5799 -9.5799 -9.5785 -9.5785 -2.5805 -2.5805 -2.5789 -2.5789 -1.1315 -1.1315 -1.1287 -1.1287 0.2473 0.2473 0.2503 0.2503 0.9936 0.9936 1.0009 1.0009 1.3265 1.3265 1.3355 1.3355 2.4807 2.4807 2.4827 2.4827 3.3989 3.3989 3.4012 3.4012 4.0873 4.0873 4.0885 4.0885 4.8824 4.8824 4.8839 4.8839 12.5014 12.5014 12.5055 12.5055 12.6997 12.6997 12.7050 12.7050 13.1840 13.1840 k = 0.0986 0.5594 0.5383 ( 4280 PWs) bands (ev): -13.1051 -13.1051 -13.1049 -13.1049 -10.0004 -10.0004 -9.9992 -9.9992 -9.5643 -9.5643 -9.5629 -9.5629 -2.5617 -2.5617 -2.5600 -2.5600 -1.1627 -1.1627 -1.1599 -1.1599 0.2623 0.2623 0.2654 0.2654 0.9766 0.9766 0.9842 0.9842 1.3487 1.3487 1.3583 1.3583 2.4723 2.4723 2.4746 2.4746 3.4100 3.4100 3.4124 3.4124 4.0929 4.0929 4.0943 4.0943 4.8619 4.8619 4.8636 4.8636 12.4934 12.4934 12.4978 12.4978 12.7077 12.7077 12.7136 12.7136 13.1761 13.1761 k = 0.1151 0.5594 0.5383 ( 4280 PWs) bands (ev): -13.1030 -13.1030 -13.1029 -13.1029 -10.0204 -10.0204 -10.0190 -10.0190 -9.5477 -9.5477 -9.5462 -9.5462 -2.5396 -2.5396 -2.5379 -2.5379 -1.1984 -1.1984 -1.1957 -1.1957 0.2791 0.2791 0.2823 0.2823 0.9594 0.9594 0.9671 0.9671 1.3721 1.3721 1.3821 1.3821 2.4630 2.4630 2.4656 2.4656 3.4222 3.4222 3.4245 3.4245 4.0998 4.0998 4.1014 4.1014 4.8382 4.8382 4.8402 4.8402 12.4849 12.4849 12.4894 12.4894 12.7164 12.7164 12.7228 12.7228 13.1674 13.1674 k = 0.1315 0.5594 0.5383 ( 4276 PWs) bands (ev): -13.1007 -13.1007 -13.1006 -13.1006 -10.0413 -10.0413 -10.0399 -10.0399 -9.5302 -9.5302 -9.5287 -9.5287 -2.5145 -2.5145 -2.5127 -2.5127 -1.2382 -1.2382 -1.2355 -1.2355 0.2971 0.2971 0.3005 0.3005 0.9422 0.9422 0.9500 0.9500 1.3963 1.3963 1.4067 1.4067 2.4532 2.4532 2.4560 2.4560 3.4350 3.4350 3.4373 3.4373 4.1081 4.1081 4.1099 4.1099 4.8117 4.8117 4.8138 4.8138 12.4759 12.4759 12.4804 12.4804 12.7255 12.7255 12.7324 12.7324 13.1582 13.1582 k = 0.1480 0.5594 0.5383 ( 4264 PWs) bands (ev): -13.0982 -13.0982 -13.0980 -13.0980 -10.0630 -10.0630 -10.0616 -10.0616 -9.5123 -9.5123 -9.5107 -9.5107 -2.4863 -2.4863 -2.4844 -2.4844 -1.2817 -1.2817 -1.2791 -1.2791 0.3162 0.3162 0.3197 0.3197 0.9254 0.9254 0.9332 0.9332 1.4209 1.4209 1.4316 1.4316 2.4429 2.4429 2.4459 2.4459 3.4480 3.4480 3.4502 3.4502 4.1180 4.1180 4.1199 4.1199 4.7825 4.7825 4.7849 4.7849 12.4663 12.4663 12.4708 12.4708 12.7349 12.7349 12.7422 12.7422 13.1489 13.1489 k = 0.1644 0.5594 0.5383 ( 4270 PWs) bands (ev): -13.0955 -13.0955 -13.0953 -13.0953 -10.0852 -10.0852 -10.0837 -10.0837 -9.4941 -9.4941 -9.4925 -9.4925 -2.4553 -2.4553 -2.4533 -2.4533 -1.3286 -1.3286 -1.3260 -1.3260 0.3359 0.3359 0.3395 0.3395 0.9092 0.9092 0.9168 0.9168 1.4457 1.4457 1.4565 1.4565 2.4326 2.4326 2.4358 2.4358 3.4608 3.4608 3.4629 3.4629 4.1295 4.1295 4.1315 4.1315 4.7511 4.7511 4.7537 4.7537 12.4562 12.4562 12.4606 12.4606 12.7444 12.7444 12.7522 12.7522 13.1397 13.1397 k = 0.1808 0.5594 0.5383 ( 4272 PWs) bands (ev): -13.0926 -13.0926 -13.0925 -13.0925 -10.1075 -10.1075 -10.1060 -10.1060 -9.4757 -9.4757 -9.4741 -9.4741 -2.4215 -2.4215 -2.4194 -2.4194 -1.3785 -1.3785 -1.3759 -1.3759 0.3559 0.3559 0.3597 0.3597 0.8936 0.8936 0.9011 0.9011 1.4703 1.4703 1.4813 1.4813 2.4224 2.4224 2.4257 2.4257 3.4730 3.4730 3.4749 3.4749 4.1429 4.1429 4.1450 4.1450 4.7178 4.7178 4.7207 4.7207 12.4454 12.4454 12.4496 12.4496 12.7539 12.7539 12.7621 12.7621 13.1310 13.1310 k = 0.1973 0.5594 0.5383 ( 4274 PWs) bands (ev): -13.0897 -13.0897 -13.0895 -13.0895 -10.1298 -10.1298 -10.1284 -10.1284 -9.4573 -9.4573 -9.4557 -9.4557 -2.3852 -2.3852 -2.3830 -2.3830 -1.4310 -1.4310 -1.4284 -1.4284 0.3761 0.3761 0.3799 0.3799 0.8789 0.8789 0.8862 0.8862 1.4945 1.4945 1.5055 1.5055 2.4126 2.4126 2.4159 2.4159 3.4842 3.4842 3.4859 3.4859 4.1581 4.1581 4.1603 4.1603 4.6830 4.6830 4.6860 4.6860 12.4338 12.4338 12.4379 12.4379 12.7632 12.7632 12.7718 12.7718 13.1233 13.1233 k = 0.2137 0.5594 0.5383 ( 4278 PWs) bands (ev): -13.0867 -13.0867 -13.0865 -13.0865 -10.1520 -10.1520 -10.1506 -10.1506 -9.4390 -9.4390 -9.4374 -9.4374 -2.3464 -2.3464 -2.3441 -2.3441 -1.4858 -1.4858 -1.4832 -1.4832 0.3960 0.3960 0.3999 0.3999 0.8652 0.8652 0.8723 0.8723 1.5180 1.5180 1.5291 1.5291 2.4034 2.4034 2.4068 2.4068 3.4940 3.4940 3.4955 3.4955 4.1753 4.1753 4.1776 4.1776 4.6471 4.6471 4.6503 4.6503 12.4212 12.4212 12.4251 12.4251 12.7722 12.7722 12.7813 12.7813 13.1167 13.1167 k = 0.2302 0.5594 0.5383 ( 4282 PWs) bands (ev): -13.0836 -13.0836 -13.0834 -13.0834 -10.1739 -10.1739 -10.1724 -10.1724 -9.4207 -9.4207 -9.4191 -9.4191 -2.3054 -2.3054 -2.3030 -2.3030 -1.5428 -1.5428 -1.5402 -1.5402 0.4155 0.4155 0.4195 0.4195 0.8527 0.8527 0.8595 0.8595 1.5405 1.5405 1.5517 1.5517 2.3950 2.3950 2.3984 2.3984 3.5023 3.5023 3.5035 3.5035 4.1946 4.1946 4.1970 4.1970 4.6104 4.6104 4.6137 4.6137 12.4074 12.4074 12.4112 12.4112 12.7807 12.7807 12.7902 12.7902 13.1119 13.1119 k = 0.2466 0.5594 0.5383 ( 4282 PWs) bands (ev): -13.0806 -13.0806 -13.0804 -13.0804 -10.1952 -10.1952 -10.1938 -10.1938 -9.4027 -9.4027 -9.4011 -9.4011 -2.2623 -2.2623 -2.2598 -2.2598 -1.6017 -1.6017 -1.5990 -1.5990 0.4342 0.4342 0.4383 0.4383 0.8414 0.8414 0.8481 0.8481 1.5618 1.5618 1.5729 1.5729 2.3877 2.3877 2.3911 2.3911 3.5088 3.5088 3.5097 3.5097 4.2158 4.2158 4.2183 4.2183 4.5734 4.5734 4.5769 4.5769 12.3925 12.3925 12.3961 12.3961 12.7885 12.7885 12.7983 12.7983 13.1091 13.1091 k = 0.2630 0.5594 0.5383 ( 4286 PWs) bands (ev): -13.0776 -13.0776 -13.0774 -13.0774 -10.2160 -10.2160 -10.2145 -10.2145 -9.3848 -9.3848 -9.3832 -9.3832 -2.2173 -2.2173 -2.2147 -2.2147 -1.6621 -1.6621 -1.6594 -1.6594 0.4520 0.4520 0.4562 0.4562 0.8317 0.8317 0.8381 0.8381 1.5815 1.5815 1.5926 1.5926 2.3817 2.3817 2.3850 2.3850 3.5133 3.5133 3.5140 3.5140 4.2389 4.2389 4.2415 4.2415 4.5365 4.5365 4.5401 4.5401 12.3761 12.3761 12.3796 12.3796 12.7954 12.7954 12.8053 12.8053 13.1089 13.1089 k = 0.2795 0.5594 0.5383 ( 4286 PWs) bands (ev): -13.0747 -13.0747 -13.0746 -13.0746 -10.2360 -10.2360 -10.2346 -10.2346 -9.3672 -9.3672 -9.3656 -9.3656 -2.1706 -2.1706 -2.1679 -2.1679 -1.7241 -1.7241 -1.7213 -1.7213 0.4685 0.4685 0.4727 0.4727 0.8238 0.8238 0.8299 0.8299 1.5993 1.5993 1.6104 1.6104 2.3773 2.3773 2.3805 2.3805 3.5158 3.5158 3.5164 3.5164 4.2636 4.2636 4.2664 4.2664 4.5003 4.5003 4.5039 4.5039 12.3582 12.3582 12.3617 12.3617 12.8010 12.8010 12.8111 12.8111 13.1114 13.1114 k = 0.2959 0.5594 0.5383 ( 4286 PWs) bands (ev): -13.0720 -13.0720 -13.0719 -13.0719 -10.2551 -10.2551 -10.2537 -10.2537 -9.3498 -9.3498 -9.3482 -9.3482 -2.1225 -2.1225 -2.1197 -2.1197 -1.7872 -1.7872 -1.7844 -1.7844 0.4834 0.4834 0.4876 0.4876 0.8179 0.8179 0.8238 0.8238 1.6148 1.6148 1.6259 1.6259 2.3746 2.3746 2.3777 2.3777 3.5162 3.5162 3.5169 3.5169 4.2895 4.2895 4.2925 4.2925 4.4653 4.4653 4.4689 4.4689 12.3388 12.3388 12.3422 12.3422 12.8053 12.8053 12.8153 12.8153 13.1169 13.1169 k = 0.3124 0.5594 0.5383 ( 4292 PWs) bands (ev): -13.0695 -13.0695 -13.0694 -13.0694 -10.2733 -10.2733 -10.2720 -10.2720 -9.3326 -9.3326 -9.3311 -9.3311 -2.0732 -2.0732 -2.0702 -2.0702 -1.8515 -1.8515 -1.8485 -1.8485 0.4964 0.4964 0.5006 0.5006 0.8144 0.8144 0.8202 0.8202 1.6277 1.6277 1.6387 1.6387 2.3740 2.3740 2.3771 2.3771 3.5148 3.5148 3.5155 3.5155 4.3154 4.3154 4.3185 4.3185 4.4331 4.4331 4.4365 4.4365 12.3178 12.3178 12.3212 12.3212 12.8080 12.8080 12.8179 12.8179 13.1254 13.1254 k = 0.3288 0.5594 0.5383 ( 4290 PWs) bands (ev): -13.0673 -13.0673 -13.0671 -13.0671 -10.2904 -10.2904 -10.2891 -10.2891 -9.3157 -9.3157 -9.3142 -9.3142 -2.0232 -2.0232 -2.0201 -2.0201 -1.9162 -1.9162 -1.9131 -1.9131 0.5070 0.5070 0.5112 0.5112 0.8137 0.8137 0.8193 0.8193 1.6377 1.6377 1.6486 1.6486 2.3758 2.3758 2.3787 2.3787 3.5117 3.5117 3.5125 3.5125 4.3362 4.3362 4.3396 4.3396 4.4089 4.4089 4.4114 4.4114 12.2953 12.2953 12.2987 12.2987 12.8092 12.8092 12.8190 12.8190 13.1368 13.1368 k = 0.3452 0.5594 0.5383 ( 4302 PWs) bands (ev): -13.0653 -13.0653 -13.0652 -13.0652 -10.3064 -10.3064 -10.3051 -10.3051 -9.2991 -9.2991 -9.2976 -9.2976 -1.9888 -1.9888 -1.9886 -1.9886 -1.9625 -1.9625 -1.9619 -1.9619 0.5150 0.5150 0.5192 0.5192 0.8161 0.8161 0.8214 0.8214 1.6444 1.6444 1.6552 1.6552 2.3801 2.3801 2.3829 2.3829 3.5071 3.5071 3.5080 3.5080 4.3356 4.3356 4.3390 4.3390 4.4092 4.4092 4.4100 4.4100 12.2713 12.2713 12.2747 12.2747 12.8090 12.8090 12.8185 12.8185 13.1507 13.1507 k = 0.3452 0.5594 0.5383 ( 4302 PWs) bands (ev): -13.0653 -13.0653 -13.0652 -13.0652 -10.3064 -10.3064 -10.3051 -10.3051 -9.2991 -9.2991 -9.2976 -9.2976 -1.9888 -1.9888 -1.9886 -1.9886 -1.9625 -1.9625 -1.9619 -1.9619 0.5150 0.5150 0.5192 0.5192 0.8161 0.8161 0.8214 0.8214 1.6444 1.6444 1.6552 1.6552 2.3801 2.3801 2.3829 2.3829 3.5071 3.5071 3.5080 3.5080 4.3356 4.3356 4.3390 4.3390 4.4092 4.4092 4.4100 4.4100 12.2713 12.2713 12.2747 12.2747 12.8090 12.8090 12.8185 12.8185 13.1507 13.1507 k = 0.3366 0.5454 0.5383 ( 4290 PWs) bands (ev): -13.0688 -13.0688 -13.0687 -13.0687 -10.2765 -10.2765 -10.2751 -10.2751 -9.3307 -9.3307 -9.3292 -9.3292 -2.0071 -2.0071 -2.0065 -2.0065 -1.9168 -1.9168 -1.9165 -1.9165 0.5016 0.5016 0.5058 0.5058 0.8085 0.8085 0.8142 0.8142 1.6352 1.6352 1.6462 1.6462 2.3700 2.3700 2.3730 2.3730 3.5166 3.5166 3.5173 3.5173 4.3646 4.3646 4.3676 4.3676 4.3813 4.3813 4.3818 4.3818 12.3172 12.3172 12.3206 12.3206 12.8100 12.8100 12.8199 12.8199 13.1238 13.1238 k = 0.3280 0.5314 0.5383 ( 4278 PWs) bands (ev): -13.0724 -13.0724 -13.0723 -13.0723 -10.2451 -10.2451 -10.2437 -10.2437 -9.3627 -9.3627 -9.3612 -9.3612 -2.0536 -2.0536 -2.0529 -2.0529 -1.8435 -1.8435 -1.8430 -1.8430 0.4867 0.4867 0.4909 0.4909 0.8008 0.8008 0.8068 0.8068 1.6268 1.6268 1.6379 1.6379 2.3613 2.3613 2.3645 2.3645 3.5253 3.5253 3.5258 3.5258 4.3531 4.3531 4.3540 4.3540 4.3952 4.3952 4.3986 4.3986 12.3599 12.3599 12.3631 12.3631 12.8090 12.8090 12.8192 12.8192 13.1015 13.1015 k = 0.3193 0.5174 0.5383 ( 4282 PWs) bands (ev): -13.0763 -13.0763 -13.0761 -13.0761 -10.2124 -10.2124 -10.2110 -10.2110 -9.3950 -9.3950 -9.3934 -9.3934 -2.1021 -2.1021 -2.1015 -2.1015 -1.7689 -1.7689 -1.7683 -1.7683 0.4701 0.4701 0.4742 0.4742 0.7930 0.7930 0.7993 0.7993 1.6192 1.6192 1.6304 1.6304 2.3542 2.3542 2.3575 2.3575 3.5331 3.5331 3.5334 3.5334 4.3268 4.3268 4.3277 4.3277 4.4268 4.4268 4.4300 4.4300 12.3974 12.3974 12.4003 12.4003 12.8052 12.8052 12.8158 12.8158 13.0854 13.0854 k = 0.3107 0.5034 0.5383 ( 4298 PWs) bands (ev): -13.0802 -13.0802 -13.0801 -13.0801 -10.1784 -10.1784 -10.1769 -10.1769 -9.4274 -9.4274 -9.4258 -9.4258 -2.1526 -2.1526 -2.1520 -2.1520 -1.6934 -1.6934 -1.6926 -1.6926 0.4517 0.4517 0.4557 0.4557 0.7852 0.7852 0.7918 0.7918 1.6128 1.6128 1.6239 1.6239 2.3486 2.3486 2.3521 2.3521 3.5400 3.5400 3.5400 3.5400 4.3018 4.3018 4.3026 4.3026 4.4594 4.4594 4.4626 4.4626 12.4276 12.4276 12.4302 12.4302 12.7980 12.7980 12.8088 12.8088 13.0779 13.0779 k = 0.3021 0.4894 0.5383 ( 4278 PWs) bands (ev): -13.0843 -13.0843 -13.0842 -13.0842 -10.1432 -10.1432 -10.1417 -10.1417 -9.4598 -9.4598 -9.4582 -9.4582 -2.2050 -2.2050 -2.2045 -2.2045 -1.6172 -1.6172 -1.6162 -1.6162 0.4315 0.4315 0.4354 0.4354 0.7773 0.7773 0.7844 0.7844 1.6076 1.6076 1.6186 1.6186 2.3448 2.3448 2.3485 2.3485 3.5459 3.5459 3.5461 3.5461 4.2780 4.2780 4.2788 4.2788 4.4931 4.4931 4.4961 4.4961 12.4488 12.4488 12.4510 12.4510 12.7868 12.7868 12.7978 12.7978 13.0805 13.0805 k = 0.2934 0.4755 0.5383 ( 4278 PWs) bands (ev): -13.0885 -13.0885 -13.0884 -13.0884 -10.1068 -10.1068 -10.1053 -10.1053 -9.4921 -9.4921 -9.4905 -9.4905 -2.2592 -2.2592 -2.2588 -2.2588 -1.5406 -1.5406 -1.5394 -1.5394 0.4096 0.4096 0.4133 0.4133 0.7695 0.7695 0.7769 0.7769 1.6037 1.6037 1.6146 1.6146 2.3429 2.3429 2.3468 2.3468 3.5509 3.5509 3.5514 3.5514 4.2557 4.2557 4.2564 4.2564 4.5275 4.5275 4.5304 4.5304 12.4598 12.4598 12.4614 12.4614 12.7710 12.7710 12.7821 12.7821 13.0944 13.0944 k = 0.2848 0.4615 0.5383 ( 4284 PWs) bands (ev): -13.0928 -13.0928 -13.0927 -13.0927 -10.0693 -10.0693 -10.0677 -10.0677 -9.5243 -9.5243 -9.5227 -9.5227 -2.3152 -2.3152 -2.3148 -2.3148 -1.4640 -1.4640 -1.4626 -1.4626 0.3859 0.3859 0.3895 0.3895 0.7618 0.7618 0.7695 0.7695 1.6013 1.6013 1.6120 1.6120 2.3429 2.3429 2.3470 2.3470 3.5551 3.5551 3.5559 3.5559 4.2348 4.2348 4.2355 4.2355 4.5626 4.5626 4.5654 4.5654 12.4607 12.4607 12.4618 12.4618 12.7505 12.7505 12.7616 12.7616 13.1194 13.1194 k = 0.2762 0.4475 0.5383 ( 4296 PWs) bands (ev): -13.0973 -13.0973 -13.0971 -13.0971 -10.0308 -10.0308 -10.0291 -10.0291 -9.5561 -9.5561 -9.5546 -9.5546 -2.3728 -2.3728 -2.3724 -2.3724 -1.3877 -1.3877 -1.3860 -1.3860 0.3606 0.3606 0.3639 0.3639 0.7542 0.7542 0.7622 0.7622 1.6004 1.6004 1.6109 1.6109 2.3450 2.3450 2.3493 2.3493 3.5587 3.5587 3.5598 3.5598 4.2154 4.2154 4.2161 4.2161 4.5983 4.5983 4.6008 4.6008 12.4527 12.4527 12.4535 12.4535 12.7250 12.7250 12.7361 12.7361 13.1538 13.1538 k = 0.2676 0.4335 0.5383 ( 4296 PWs) bands (ev): -13.1018 -13.1018 -13.1017 -13.1017 -9.9912 -9.9912 -9.9895 -9.9895 -9.5876 -9.5876 -9.5861 -9.5861 -2.4318 -2.4318 -2.4315 -2.4315 -1.3118 -1.3118 -1.3099 -1.3099 0.3337 0.3337 0.3368 0.3368 0.7468 0.7468 0.7552 0.7552 1.6011 1.6011 1.6113 1.6113 2.3491 2.3491 2.3536 2.3536 3.5617 3.5617 3.5631 3.5631 4.1976 4.1976 4.1982 4.1982 4.6343 4.6343 4.6367 4.6367 12.4377 12.4377 12.4382 12.4382 12.6945 12.6945 12.7055 12.7055 13.1956 13.1956 k = 0.2589 0.4195 0.5383 ( 4296 PWs) bands (ev): -13.1065 -13.1065 -13.1063 -13.1063 -9.9507 -9.9507 -9.9490 -9.9490 -9.6187 -9.6187 -9.6171 -9.6171 -2.4923 -2.4923 -2.4921 -2.4921 -1.2369 -1.2369 -1.2347 -1.2347 0.3053 0.3053 0.3082 0.3082 0.7396 0.7396 0.7483 0.7483 1.6034 1.6034 1.6132 1.6132 2.3553 2.3553 2.3600 2.3600 3.5641 3.5641 3.5658 3.5658 4.1812 4.1812 4.1818 4.1818 4.6706 4.6706 4.6728 4.6728 12.4178 12.4178 12.4180 12.4180 12.6594 12.6594 12.6702 12.6702 13.2422 13.2422 k = 0.2503 0.4055 0.5383 ( 4292 PWs) bands (ev): -13.1112 -13.1112 -13.1110 -13.1110 -9.9094 -9.9094 -9.9076 -9.9076 -9.6492 -9.6492 -9.6476 -9.6476 -2.5540 -2.5540 -2.5539 -2.5539 -1.1631 -1.1631 -1.1606 -1.1606 0.2758 0.2758 0.2784 0.2784 0.7327 0.7327 0.7418 0.7418 1.6071 1.6071 1.6167 1.6167 2.3637 2.3637 2.3685 2.3685 3.5662 3.5662 3.5682 3.5682 4.1664 4.1664 4.1669 4.1669 4.7069 4.7069 4.7090 4.7090 12.3947 12.3947 12.3947 12.3947 12.6198 12.6198 12.6304 12.6304 13.2914 13.2914 k = 0.2417 0.3916 0.5383 ( 4284 PWs) bands (ev): -13.1160 -13.1160 -13.1158 -13.1158 -9.8674 -9.8674 -9.8656 -9.8656 -9.6790 -9.6790 -9.6775 -9.6775 -2.6169 -2.6169 -2.6168 -2.6168 -1.0908 -1.0908 -1.0880 -1.0880 0.2451 0.2451 0.2476 0.2476 0.7262 0.7262 0.7356 0.7356 1.6124 1.6124 1.6215 1.6215 2.3741 2.3741 2.3791 2.3791 3.5680 3.5680 3.5703 3.5703 4.1530 4.1530 4.1534 4.1534 4.7432 4.7432 4.7451 4.7451 12.3696 12.3696 12.3698 12.3698 12.5763 12.5763 12.5867 12.5867 13.3409 13.3409 k = 0.2330 0.3776 0.5383 ( 4284 PWs) bands (ev): -13.1208 -13.1208 -13.1206 -13.1206 -9.8246 -9.8246 -9.8228 -9.8228 -9.7082 -9.7082 -9.7068 -9.7068 -2.6806 -2.6806 -2.6806 -2.6806 -1.0202 -1.0202 -1.0171 -1.0171 0.2136 0.2136 0.2158 0.2158 0.7201 0.7201 0.7298 0.7298 1.6190 1.6190 1.6278 1.6278 2.3865 2.3865 2.3917 2.3917 3.5696 3.5696 3.5723 3.5723 4.1409 4.1409 4.1413 4.1413 4.7793 4.7793 4.7810 4.7810 12.3439 12.3439 12.3442 12.3442 12.5294 12.5294 12.5394 12.5394 13.3887 13.3887 k = 0.2244 0.3636 0.5383 ( 4280 PWs) bands (ev): -13.1256 -13.1256 -13.1255 -13.1255 -9.7814 -9.7814 -9.7795 -9.7795 -9.7367 -9.7367 -9.7353 -9.7353 -2.7452 -2.7452 -2.7452 -2.7452 -0.9516 -0.9516 -0.9481 -0.9481 0.1815 0.1815 0.1834 0.1834 0.7146 0.7146 0.7245 0.7245 1.6269 1.6269 1.6353 1.6353 2.4008 2.4008 2.4061 2.4061 3.5711 3.5711 3.5741 3.5741 4.1302 4.1302 4.1305 4.1305 4.8150 4.8150 4.8165 4.8165 12.3184 12.3184 12.3187 12.3187 12.4796 12.4796 12.4893 12.4893 13.4327 13.4327 k = 0.2158 0.3496 0.5383 ( 4284 PWs) bands (ev): -13.1305 -13.1305 -13.1303 -13.1303 -9.7645 -9.7645 -9.7631 -9.7631 -9.7375 -9.7375 -9.7357 -9.7357 -2.8105 -2.8105 -2.8104 -2.8104 -0.8852 -0.8852 -0.8815 -0.8815 0.1489 0.1489 0.1506 0.1506 0.7096 0.7096 0.7198 0.7198 1.6360 1.6360 1.6440 1.6440 2.4169 2.4169 2.4224 2.4224 3.5728 3.5728 3.5761 3.5761 4.1208 4.1208 4.1210 4.1210 4.8503 4.8503 4.8516 4.8516 12.2936 12.2936 12.2941 12.2941 12.4274 12.4274 12.4367 12.4367 13.4707 13.4707 k = 0.2071 0.3356 0.5383 ( 4292 PWs) bands (ev): -13.1353 -13.1353 -13.1352 -13.1352 -9.7913 -9.7913 -9.7899 -9.7899 -9.6935 -9.6935 -9.6917 -9.6917 -2.8761 -2.8761 -2.8760 -2.8760 -0.8214 -0.8214 -0.8173 -0.8173 0.1160 0.1160 0.1176 0.1176 0.7053 0.7053 0.7157 0.7157 1.6461 1.6461 1.6537 1.6537 2.4345 2.4345 2.4402 2.4402 3.5746 3.5746 3.5783 3.5783 4.1125 4.1125 4.1127 4.1127 4.8850 4.8850 4.8861 4.8861 12.2703 12.2703 12.2707 12.2707 12.3735 12.3735 12.3824 12.3824 13.5007 13.5007 k = 0.1985 0.3216 0.5383 ( 4296 PWs) bands (ev): -13.1402 -13.1402 -13.1400 -13.1400 -9.8173 -9.8173 -9.8160 -9.8160 -9.6492 -9.6492 -9.6474 -9.6474 -2.9420 -2.9420 -2.9418 -2.9418 -0.7602 -0.7602 -0.7559 -0.7559 0.0832 0.0832 0.0845 0.0845 0.7017 0.7017 0.7124 0.7124 1.6571 1.6571 1.6644 1.6644 2.4536 2.4536 2.4594 2.4594 3.5769 3.5769 3.5809 3.5809 4.1053 4.1053 4.1055 4.1055 4.9189 4.9189 4.9198 4.9198 12.2486 12.2486 12.2491 12.2491 12.3183 12.3183 12.3267 12.3267 13.5207 13.5207 k = 0.1899 0.3076 0.5383 ( 4312 PWs) bands (ev): -13.1450 -13.1450 -13.1448 -13.1448 -9.8424 -9.8424 -9.8411 -9.8411 -9.6049 -9.6049 -9.6030 -9.6030 -3.0079 -3.0079 -3.0076 -3.0076 -0.7020 -0.7020 -0.6974 -0.6974 0.0505 0.0505 0.0517 0.0517 0.6990 0.6990 0.7098 0.7098 1.6689 1.6689 1.6758 1.6758 2.4739 2.4739 2.4798 2.4798 3.5797 3.5797 3.5840 3.5840 4.0992 4.0992 4.0993 4.0993 4.9519 4.9519 4.9527 4.9527 12.2290 12.2290 12.2292 12.2292 12.2625 12.2625 12.2703 12.2703 13.5292 13.5292 k = 0.1812 0.2937 0.5383 ( 4320 PWs) bands (ev): -13.1498 -13.1498 -13.1496 -13.1496 -9.8665 -9.8665 -9.8652 -9.8652 -9.5605 -9.5605 -9.5587 -9.5587 -3.0736 -3.0736 -3.0732 -3.0732 -0.6469 -0.6469 -0.6420 -0.6420 0.0182 0.0182 0.0192 0.0192 0.6972 0.6972 0.7081 0.7081 1.6814 1.6814 1.6879 1.6879 2.4950 2.4950 2.5011 2.5011 3.5833 3.5833 3.5879 3.5879 4.0940 4.0940 4.0941 4.0941 4.9840 4.9840 4.9846 4.9846 12.2033 12.2033 12.2106 12.2106 12.2147 12.2147 12.2148 12.2148 13.5257 13.5257 k = 0.1726 0.2797 0.5383 ( 4320 PWs) bands (ev): -13.1545 -13.1545 -13.1543 -13.1543 -9.8896 -9.8896 -9.8884 -9.8884 -9.5164 -9.5164 -9.5146 -9.5146 -3.1388 -3.1388 -3.1384 -3.1384 -0.5950 -0.5950 -0.5898 -0.5898 -0.0135 -0.0135 -0.0127 -0.0127 0.6963 0.6963 0.7073 0.7073 1.6943 1.6943 1.7005 1.7005 2.5167 2.5167 2.5228 2.5228 3.5877 3.5877 3.5926 3.5926 4.0897 4.0897 4.0897 4.0897 5.0150 5.0150 5.0155 5.0155 12.1488 12.1488 12.1568 12.1568 12.1970 12.1970 12.1982 12.1982 13.5105 13.5105 k = 0.1640 0.2657 0.5383 ( 4328 PWs) bands (ev): -13.1591 -13.1591 -13.1589 -13.1589 -9.9117 -9.9117 -9.9105 -9.9105 -9.4726 -9.4726 -9.4708 -9.4708 -3.2034 -3.2034 -3.2029 -3.2029 -0.5464 -0.5464 -0.5411 -0.5411 -0.0446 -0.0446 -0.0438 -0.0438 0.6963 0.6963 0.7074 0.7074 1.7077 1.7077 1.7134 1.7134 2.5387 2.5387 2.5449 2.5449 3.5932 3.5932 3.5983 3.5983 4.0861 4.0861 4.0862 4.0862 5.0449 5.0449 5.0452 5.0452 12.0932 12.0932 12.1006 12.1006 12.1846 12.1846 12.1858 12.1858 13.4849 13.4849 k = 0.1554 0.2517 0.5383 ( 4328 PWs) bands (ev): -13.1636 -13.1636 -13.1634 -13.1634 -9.9327 -9.9327 -9.9316 -9.9316 -9.4293 -9.4293 -9.4276 -9.4276 -3.2669 -3.2669 -3.2664 -3.2664 -0.5013 -0.5013 -0.4958 -0.4958 -0.0747 -0.0747 -0.0741 -0.0741 0.6974 0.6974 0.7085 0.7085 1.7212 1.7212 1.7266 1.7266 2.5605 2.5605 2.5668 2.5668 3.5999 3.5999 3.6052 3.6052 4.0833 4.0833 4.0834 4.0834 5.0734 5.0734 5.0736 5.0736 12.0384 12.0384 12.0454 12.0454 12.1749 12.1749 12.1761 12.1761 13.4510 13.4510 k = 0.1467 0.2377 0.5383 ( 4320 PWs) bands (ev): -13.1680 -13.1680 -13.1678 -13.1678 -9.9528 -9.9528 -9.9517 -9.9517 -9.3867 -9.3867 -9.3850 -9.3850 -3.3293 -3.3293 -3.3288 -3.3288 -0.4595 -0.4595 -0.4539 -0.4539 -0.1039 -0.1039 -0.1034 -0.1034 0.6995 0.6995 0.7105 0.7105 1.7349 1.7349 1.7399 1.7399 2.5820 2.5820 2.5883 2.5883 3.6078 3.6078 3.6133 3.6133 4.0811 4.0811 4.0812 4.0812 5.1006 5.1006 5.1007 5.1007 11.9847 11.9847 11.9913 11.9913 12.1678 12.1678 12.1690 12.1690 13.4109 13.4109 k = 0.1381 0.2237 0.5383 ( 4316 PWs) bands (ev): -13.1722 -13.1722 -13.1721 -13.1721 -9.9717 -9.9717 -9.9707 -9.9707 -9.3450 -9.3450 -9.3433 -9.3433 -3.3903 -3.3903 -3.3897 -3.3897 -0.4213 -0.4213 -0.4156 -0.4156 -0.1319 -0.1319 -0.1315 -0.1315 0.7026 0.7026 0.7134 0.7134 1.7485 1.7485 1.7532 1.7532 2.6028 2.6028 2.6090 2.6090 3.6172 3.6172 3.6227 3.6227 4.0795 4.0795 4.0796 4.0796 5.1263 5.1263 5.1264 5.1264 11.9326 11.9326 11.9387 11.9387 12.1633 12.1633 12.1645 12.1645 13.3667 13.3667 k = 0.1295 0.2098 0.5383 ( 4312 PWs) bands (ev): -13.1763 -13.1763 -13.1762 -13.1762 -9.9895 -9.9895 -9.9886 -9.9886 -9.3043 -9.3043 -9.3027 -9.3027 -3.4494 -3.4494 -3.4488 -3.4488 -0.3864 -0.3864 -0.3807 -0.3807 -0.1587 -0.1587 -0.1583 -0.1583 0.7066 0.7066 0.7171 0.7171 1.7620 1.7620 1.7664 1.7664 2.6226 2.6226 2.6287 2.6287 3.6279 3.6279 3.6335 3.6335 4.0783 4.0783 4.0785 4.0785 5.1504 5.1504 5.1506 5.1506 11.8822 11.8822 11.8880 11.8880 12.1611 12.1611 12.1623 12.1623 13.3204 13.3204 k = 0.1208 0.1958 0.5383 ( 4308 PWs) bands (ev): -13.1802 -13.1802 -13.1801 -13.1801 -10.0062 -10.0062 -10.0053 -10.0053 -9.2649 -9.2649 -9.2634 -9.2634 -3.5066 -3.5066 -3.5060 -3.5060 -0.3548 -0.3548 -0.3491 -0.3491 -0.1841 -0.1841 -0.1838 -0.1838 0.7115 0.7115 0.7216 0.7216 1.7752 1.7752 1.7793 1.7793 2.6411 2.6411 2.6471 2.6471 3.6399 3.6399 3.6455 3.6455 4.0776 4.0776 4.0778 4.0778 5.1730 5.1730 5.1733 5.1733 11.8339 11.8339 11.8393 11.8393 12.1612 12.1612 12.1624 12.1624 13.2735 13.2735 k = 0.1122 0.1818 0.5383 ( 4312 PWs) bands (ev): -13.1839 -13.1839 -13.1838 -13.1838 -10.0218 -10.0218 -10.0210 -10.0210 -9.2269 -9.2269 -9.2255 -9.2255 -3.5614 -3.5614 -3.5608 -3.5608 -0.3264 -0.3264 -0.3209 -0.3209 -0.2081 -0.2081 -0.2079 -0.2079 0.7170 0.7170 0.7268 0.7268 1.7881 1.7881 1.7918 1.7918 2.6581 2.6581 2.6639 2.6639 3.6532 3.6532 3.6587 3.6587 4.0772 4.0772 4.0774 4.0774 5.1940 5.1940 5.1944 5.1944 11.7879 11.7879 11.7929 11.7929 12.1633 12.1633 12.1645 12.1645 13.2273 13.2273 k = 0.1036 0.1678 0.5383 ( 4308 PWs) bands (ev): -13.1875 -13.1875 -13.1873 -13.1873 -10.0363 -10.0363 -10.0355 -10.0355 -9.1906 -9.1906 -9.1892 -9.1892 -3.6137 -3.6137 -3.6131 -3.6131 -0.3012 -0.3012 -0.2958 -0.2958 -0.2305 -0.2305 -0.2304 -0.2304 0.7232 0.7232 0.7325 0.7325 1.8004 1.8004 1.8039 1.8039 2.6736 2.6736 2.6792 2.6792 3.6675 3.6675 3.6730 3.6730 4.0772 4.0772 4.0774 4.0774 5.2134 5.2134 5.2139 5.2139 11.7444 11.7444 11.7490 11.7490 12.1671 12.1671 12.1683 12.1683 13.1830 13.1830 k = 0.0949 0.1538 0.5383 ( 4308 PWs) bands (ev): -13.1907 -13.1907 -13.1906 -13.1906 -10.0496 -10.0496 -10.0489 -10.0489 -9.1562 -9.1562 -9.1548 -9.1548 -3.6631 -3.6631 -3.6625 -3.6625 -0.2791 -0.2791 -0.2738 -0.2738 -0.2513 -0.2513 -0.2511 -0.2511 0.7299 0.7299 0.7386 0.7386 1.8122 1.8122 1.8153 1.8153 2.6874 2.6874 2.6927 2.6927 3.6827 3.6827 3.6880 3.6880 4.0773 4.0773 4.0775 4.0775 5.2312 5.2312 5.2317 5.2317 11.7037 11.7037 11.7079 11.7079 12.1722 12.1722 12.1734 12.1734 13.1413 13.1413 k = 0.0863 0.1398 0.5383 ( 4316 PWs) bands (ev): -13.1938 -13.1938 -13.1937 -13.1937 -10.0618 -10.0618 -10.0611 -10.0611 -9.1238 -9.1238 -9.1226 -9.1226 -3.7093 -3.7093 -3.7088 -3.7088 -0.2720 -0.2720 -0.2710 -0.2710 -0.2578 -0.2578 -0.2540 -0.2540 0.7368 0.7368 0.7449 0.7449 1.8233 1.8233 1.8261 1.8261 2.6996 2.6996 2.7045 2.7045 3.6984 3.6984 3.7034 3.7034 4.0777 4.0777 4.0779 4.0779 5.2473 5.2473 5.2479 5.2479 11.6659 11.6659 11.6697 11.6697 12.1784 12.1784 12.1795 12.1795 13.1030 13.1030 k = 0.0777 0.1259 0.5383 ( 4312 PWs) bands (ev): -13.1966 -13.1966 -13.1965 -13.1965 -10.0728 -10.0728 -10.0722 -10.0722 -9.0937 -9.0937 -9.0926 -9.0926 -3.7522 -3.7522 -3.7516 -3.7516 -0.2888 -0.2888 -0.2884 -0.2884 -0.2415 -0.2415 -0.2374 -0.2374 0.7438 0.7438 0.7513 0.7513 1.8336 1.8336 1.8361 1.8361 2.7101 2.7101 2.7147 2.7147 3.7144 3.7144 3.7190 3.7190 4.0781 4.0781 4.0783 4.0783 5.2618 5.2618 5.2624 5.2624 11.6312 11.6312 11.6346 11.6346 12.1851 12.1851 12.1862 12.1862 13.0686 13.0686 k = 0.0690 0.1119 0.5383 ( 4304 PWs) bands (ev): -13.1992 -13.1992 -13.1991 -13.1991 -10.0827 -10.0827 -10.0822 -10.0822 -9.0662 -9.0662 -9.0651 -9.0651 -3.7913 -3.7913 -3.7908 -3.7908 -0.3045 -0.3045 -0.3043 -0.3043 -0.2268 -0.2268 -0.2230 -0.2230 0.7507 0.7507 0.7575 0.7575 1.8431 1.8431 1.8453 1.8453 2.7190 2.7190 2.7232 2.7232 3.7301 3.7301 3.7344 3.7344 4.0787 4.0787 4.0789 4.0789 5.2747 5.2747 5.2753 5.2753 11.5997 11.5997 11.6028 11.6028 12.1919 12.1919 12.1930 12.1930 13.0386 13.0386 k = 0.0604 0.0979 0.5383 ( 4290 PWs) bands (ev): -13.2015 -13.2015 -13.2014 -13.2014 -10.0914 -10.0914 -10.0909 -10.0909 -9.0413 -9.0413 -9.0404 -9.0404 -3.8265 -3.8265 -3.8260 -3.8260 -0.3185 -0.3185 -0.3183 -0.3183 -0.2143 -0.2143 -0.2109 -0.2109 0.7574 0.7574 0.7634 0.7634 1.8516 1.8516 1.8536 1.8536 2.7266 2.7266 2.7303 2.7303 3.7452 3.7452 3.7491 3.7491 4.0793 4.0793 4.0795 4.0795 5.2860 5.2860 5.2865 5.2865 11.5717 11.5717 11.5744 11.5744 12.1986 12.1986 12.1995 12.1995 13.0130 13.0130 k = 0.0518 0.0839 0.5383 ( 4294 PWs) bands (ev): -13.2034 -13.2034 -13.2034 -13.2034 -10.0990 -10.0990 -10.0986 -10.0986 -9.0193 -9.0193 -9.0185 -9.0185 -3.8575 -3.8575 -3.8571 -3.8571 -0.3307 -0.3307 -0.3306 -0.3306 -0.2038 -0.2038 -0.2008 -0.2008 0.7636 0.7636 0.7688 0.7688 1.8592 1.8592 1.8608 1.8608 2.7327 2.7327 2.7360 2.7360 3.7593 3.7593 3.7627 3.7627 4.0799 4.0799 4.0801 4.0801 5.2956 5.2956 5.2961 5.2961 11.5471 11.5471 11.5495 11.5495 12.2047 12.2047 12.2055 12.2055 12.9919 12.9919 k = 0.0432 0.0699 0.5383 ( 4294 PWs) bands (ev): -13.2052 -13.2052 -13.2051 -13.2051 -10.1053 -10.1053 -10.1050 -10.1050 -9.0003 -9.0003 -8.9997 -8.9997 -3.8841 -3.8841 -3.8837 -3.8837 -0.3411 -0.3411 -0.3410 -0.3410 -0.1951 -0.1951 -0.1926 -0.1926 0.7692 0.7692 0.7736 0.7736 1.8657 1.8657 1.8671 1.8671 2.7377 2.7377 2.7404 2.7404 3.7721 3.7721 3.7750 3.7750 4.0805 4.0805 4.0806 4.0806 5.3038 5.3038 5.3042 5.3042 11.5262 11.5262 11.5282 11.5282 12.2100 12.2100 12.2107 12.2107 12.9751 12.9751 k = 0.0345 0.0559 0.5383 ( 4294 PWs) bands (ev): -13.2066 -13.2066 -13.2065 -13.2065 -10.1106 -10.1106 -10.1103 -10.1103 -8.9846 -8.9846 -8.9840 -8.9840 -3.9061 -3.9061 -3.9059 -3.9059 -0.3496 -0.3496 -0.3495 -0.3495 -0.1882 -0.1882 -0.1861 -0.1861 0.7741 0.7741 0.7777 0.7777 1.8711 1.8711 1.8722 1.8722 2.7416 2.7416 2.7438 2.7438 3.7831 3.7831 3.7854 3.7854 4.0810 4.0810 4.0811 4.0811 5.3104 5.3104 5.3107 5.3107 11.5090 11.5090 11.5106 11.5106 12.2144 12.2144 12.2149 12.2149 12.9623 12.9623 k = 0.0259 0.0420 0.5383 ( 4294 PWs) bands (ev): -13.2077 -13.2077 -13.2076 -13.2076 -10.1146 -10.1146 -10.1144 -10.1144 -8.9722 -8.9722 -8.9718 -8.9718 -3.9235 -3.9235 -3.9232 -3.9232 -0.3563 -0.3563 -0.3562 -0.3562 -0.1828 -0.1828 -0.1812 -0.1812 0.7782 0.7782 0.7808 0.7808 1.8754 1.8754 1.8762 1.8762 2.7446 2.7446 2.7463 2.7463 3.7920 3.7920 3.7938 3.7938 4.0814 4.0814 4.0815 4.0815 5.3155 5.3155 5.3158 5.3158 11.4956 11.4956 11.4968 11.4968 12.2178 12.2178 12.2182 12.2182 12.9531 12.9531 k = 0.0173 0.0280 0.5383 ( 4300 PWs) bands (ev): -13.2084 -13.2084 -13.2084 -13.2084 -10.1175 -10.1175 -10.1174 -10.1174 -8.9632 -8.9632 -8.9630 -8.9630 -3.9359 -3.9359 -3.9358 -3.9358 -0.3610 -0.3610 -0.3610 -0.3610 -0.1790 -0.1790 -0.1779 -0.1779 0.7812 0.7812 0.7830 0.7830 1.8785 1.8785 1.8791 1.8791 2.7468 2.7468 2.7479 2.7479 3.7987 3.7987 3.7999 3.7999 4.0817 4.0817 4.0818 4.0818 5.3191 5.3191 5.3193 5.3193 11.4861 11.4861 11.4868 11.4868 12.2202 12.2202 12.2204 12.2204 12.9469 12.9469 k = 0.0086 0.0140 0.5383 ( 4284 PWs) bands (ev): -13.2089 -13.2089 -13.2089 -13.2089 -10.1192 -10.1192 -10.1192 -10.1192 -8.9578 -8.9578 -8.9577 -8.9577 -3.9434 -3.9434 -3.9433 -3.9433 -0.3639 -0.3639 -0.3639 -0.3639 -0.1766 -0.1766 -0.1761 -0.1761 0.7833 0.7833 0.7842 0.7842 1.8805 1.8805 1.8808 1.8808 2.7481 2.7481 2.7487 2.7487 3.8029 3.8029 3.8035 3.8035 4.0819 4.0819 4.0819 4.0819 5.3213 5.3213 5.3214 5.3214 11.4804 11.4804 11.4808 11.4808 12.2216 12.2216 12.2218 12.2218 12.9434 12.9435 k = 0.0000 0.0000 0.5383 ( 4276 PWs) bands (ev): -13.2091 -13.2091 -13.2091 -13.2091 -10.1198 -10.1198 -10.1198 -10.1198 -8.9559 -8.9559 -8.9559 -8.9559 -3.9459 -3.9459 -3.9459 -3.9459 -0.3648 -0.3648 -0.3648 -0.3648 -0.1756 -0.1756 -0.1756 -0.1756 0.7843 0.7843 0.7843 0.7843 1.8812 1.8812 1.8812 1.8812 2.7487 2.7487 2.7487 2.7487 3.8046 3.8046 3.8046 3.8046 4.0820 4.0820 4.0820 4.0820 5.3221 5.3221 5.3221 5.3221 11.4786 11.4786 11.4786 11.4786 12.2221 12.2221 12.2221 12.2221 12.9423 12.9423 k = 0.0000 0.0000 0.5383 ( 4276 PWs) bands (ev): -13.2091 -13.2091 -13.2091 -13.2091 -10.1198 -10.1198 -10.1198 -10.1198 -8.9559 -8.9559 -8.9559 -8.9559 -3.9459 -3.9459 -3.9459 -3.9459 -0.3648 -0.3648 -0.3648 -0.3648 -0.1756 -0.1756 -0.1756 -0.1756 0.7843 0.7843 0.7843 0.7843 1.8812 1.8812 1.8812 1.8812 2.7487 2.7487 2.7487 2.7487 3.8046 3.8046 3.8046 3.8046 4.0820 4.0820 4.0820 4.0820 5.3221 5.3221 5.3221 5.3221 11.4786 11.4786 11.4786 11.4786 12.2221 12.2221 12.2221 12.2221 12.9423 12.9423 k = 0.0000 0.0000 0.5219 ( 4274 PWs) bands (ev): -13.2243 -13.2243 -13.1940 -13.1940 -10.1598 -10.1598 -10.0786 -10.0786 -8.9618 -8.9618 -8.9506 -8.9506 -3.9447 -3.9447 -3.9443 -3.9443 -0.3895 -0.3895 -0.3399 -0.3399 -0.2812 -0.2812 -0.0781 -0.0781 0.7843 0.7843 0.7925 0.7925 1.8536 1.8536 1.9040 1.9040 2.7483 2.7483 2.7509 2.7509 3.7949 3.7949 3.8139 3.8139 4.0590 4.0590 4.1041 4.1041 5.3032 5.3032 5.3397 5.3397 11.4754 11.4754 11.4916 11.4916 12.2106 12.2106 12.2328 12.2328 12.9007 12.9007 k = 0.0000 0.0000 0.5056 ( 4278 PWs) bands (ev): -13.2396 -13.2396 -13.1791 -13.1791 -10.1986 -10.1986 -10.0364 -10.0364 -8.9681 -8.9681 -8.9459 -8.9459 -3.9407 -3.9407 -3.9401 -3.9401 -0.4139 -0.4139 -0.3929 -0.3929 -0.3144 -0.3144 0.0084 0.0084 0.7949 0.7949 0.8069 0.8069 1.8214 1.8214 1.9218 1.9218 2.7494 2.7494 2.7549 2.7549 3.7850 3.7850 3.8229 3.8229 4.0352 4.0352 4.1252 4.1252 5.2831 5.2831 5.3559 5.3559 11.4820 11.4820 11.5144 11.5144 12.1992 12.1992 12.2412 12.2412 12.8586 12.8586 k = 0.0000 0.0000 0.4893 ( 4290 PWs) bands (ev): -13.2551 -13.2551 -13.1645 -13.1645 -10.2362 -10.2362 -9.9932 -9.9932 -8.9749 -8.9749 -8.9417 -8.9417 -3.9339 -3.9339 -3.9332 -3.9332 -0.5082 -0.5082 -0.4377 -0.4377 -0.2892 -0.2892 0.0809 0.0809 0.8187 0.8187 0.8263 0.8263 1.7847 1.7847 1.9345 1.9345 2.7519 2.7519 2.7610 2.7610 3.7749 3.7749 3.8316 3.8316 4.0109 4.0109 4.1453 4.1453 5.2618 5.2618 5.3707 5.3707 11.4983 11.4983 11.5466 11.5466 12.1886 12.1886 12.2453 12.2453 12.8187 12.8187 k = 0.0000 0.0000 0.4730 ( 4282 PWs) bands (ev): -13.2706 -13.2706 -13.1501 -13.1501 -10.2726 -10.2726 -9.9489 -9.9489 -8.9821 -8.9821 -8.9381 -8.9381 -3.9243 -3.9243 -3.9237 -3.9237 -0.6262 -0.6262 -0.4610 -0.4610 -0.2639 -0.2639 0.1370 0.1370 0.8472 0.8472 0.8599 0.8599 1.7438 1.7438 1.9421 1.9421 2.7556 2.7556 2.7694 2.7694 3.7646 3.7646 3.8399 3.8399 3.9860 3.9860 4.1644 4.1644 5.2394 5.2394 5.3842 5.3842 11.5243 11.5243 11.5881 11.5881 12.1792 12.1792 12.2424 12.2424 12.7846 12.7846 k = 0.0000 0.0000 0.4567 ( 4284 PWs) bands (ev): -13.2861 -13.2861 -13.1361 -13.1361 -10.3077 -10.3077 -9.9038 -9.9038 -8.9898 -8.9898 -8.9350 -8.9350 -3.9121 -3.9121 -3.9117 -3.9117 -0.7458 -0.7458 -0.4837 -0.4837 -0.2387 -0.2387 0.1763 0.1763 0.8726 0.8726 0.9147 0.9147 1.6989 1.6989 1.9443 1.9443 2.7604 2.7604 2.7803 2.7803 3.7540 3.7540 3.8478 3.8478 3.9610 3.9610 4.1825 4.1825 5.2159 5.2159 5.3963 5.3963 11.5598 11.5598 11.6387 11.6387 12.1711 12.1711 12.2296 12.2296 12.7600 12.7600 k = 0.0000 0.0000 0.4404 ( 4288 PWs) bands (ev): -13.3015 -13.3015 -13.1223 -13.1223 -10.3416 -10.3416 -9.8579 -9.8579 -8.9978 -8.9978 -8.9325 -8.9325 -3.8976 -3.8976 -3.8969 -3.8969 -0.8663 -0.8663 -0.5055 -0.5055 -0.2137 -0.2137 0.2004 0.2004 0.8999 0.8999 0.9832 0.9832 1.6502 1.6502 1.9413 1.9413 2.7660 2.7660 2.7938 2.7938 3.7434 3.7434 3.8553 3.8553 3.9361 3.9361 4.1996 4.1996 5.1916 5.1916 5.4071 5.4071 11.6045 11.6045 11.6979 11.6979 12.1646 12.1646 12.2049 12.2049 12.7475 12.7475 k = 0.0000 0.0000 0.4241 ( 4296 PWs) bands (ev): -13.3169 -13.3169 -13.1089 -13.1089 -10.3741 -10.3741 -9.8112 -9.8112 -9.0062 -9.0062 -8.9305 -8.9305 -3.8810 -3.8810 -3.8792 -3.8792 -0.9868 -0.9868 -0.5266 -0.5266 -0.1890 -0.1890 0.2125 0.2125 0.9289 0.9289 1.0617 1.0617 1.5981 1.5981 1.9330 1.9330 2.7724 2.7724 2.8102 2.8102 3.7326 3.7326 3.8622 3.8622 3.9116 3.9116 4.2159 4.2159 5.1664 5.1664 5.4166 5.4166 11.6581 11.6581 11.7652 11.7652 12.1596 12.1596 12.1678 12.1678 12.7481 12.7481 k = 0.0000 0.0000 0.4078 ( 4286 PWs) bands (ev): -13.3322 -13.3322 -13.0959 -13.0959 -10.4054 -10.4054 -9.7639 -9.7639 -9.0148 -9.0148 -8.9290 -8.9290 -3.8624 -3.8624 -3.8588 -3.8588 -1.1070 -1.1070 -0.5467 -0.5467 -0.1648 -0.1648 0.2156 0.2156 0.9592 0.9592 1.1466 1.1466 1.5427 1.5427 1.9195 1.9195 2.7793 2.7793 2.8297 2.8297 3.7217 3.7217 3.8678 3.8678 3.8886 3.8886 4.2315 4.2315 5.1405 5.1405 5.4248 5.4248 11.7203 11.7203 11.8403 11.8403 12.1195 12.1195 12.1563 12.1563 12.7610 12.7610 k = 0.0000 0.0000 0.3915 ( 4274 PWs) bands (ev): -13.3473 -13.3473 -13.0832 -13.0832 -10.4353 -10.4353 -9.7161 -9.7161 -9.0237 -9.0237 -8.9281 -8.9281 -3.8418 -3.8418 -3.8360 -3.8360 -1.2264 -1.2264 -0.5657 -0.5657 -0.1411 -0.1411 0.2124 0.2124 0.9906 0.9906 1.2347 1.2347 1.4846 1.4846 1.9009 1.9009 2.7866 2.7866 2.8526 2.8526 3.7109 3.7109 3.8605 3.8605 3.8789 3.8789 4.2463 4.2463 5.1141 5.1141 5.4319 5.4319 11.7907 11.7907 11.9224 11.9224 12.0625 12.0625 12.1544 12.1544 12.7842 12.7842 k = 0.0000 0.0000 0.3751 ( 4278 PWs) bands (ev): -13.3622 -13.3622 -13.0710 -13.0710 -10.4639 -10.4639 -9.6679 -9.6679 -9.0327 -9.0327 -8.9276 -8.9276 -3.8194 -3.8194 -3.8108 -3.8108 -1.3445 -1.3445 -0.5837 -0.5837 -0.1180 -0.1180 0.2049 0.2049 1.0229 1.0229 1.3235 1.3235 1.4239 1.4239 1.8773 1.8773 2.7941 2.7941 2.8790 2.8790 3.7000 3.7000 3.8395 3.8395 3.8835 3.8835 4.2605 4.2605 5.0873 5.0873 5.4378 5.4378 11.8689 11.8689 11.9990 11.9990 12.0109 12.0109 12.1539 12.1539 12.8156 12.8156 k = 0.0000 0.0000 0.3588 ( 4282 PWs) bands (ev): -13.3768 -13.3768 -13.0592 -13.0592 -10.4912 -10.4912 -9.6194 -9.6194 -9.0419 -9.0419 -8.9276 -8.9276 -3.7954 -3.7954 -3.7833 -3.7833 -1.4609 -1.4609 -0.6006 -0.6006 -0.0957 -0.0957 0.1946 0.1946 1.0560 1.0560 1.3611 1.3611 1.4112 1.4112 1.8490 1.8490 2.8016 2.8016 2.9091 2.9091 3.6891 3.6891 3.8184 3.8184 3.8889 3.8889 4.2743 4.2743 5.0602 5.0602 5.4427 5.4427 11.9310 11.9310 11.9546 11.9546 12.1046 12.1046 12.1547 12.1547 12.8533 12.8533 k = 0.0000 0.0000 0.3425 ( 4282 PWs) bands (ev): -13.3912 -13.3912 -13.0479 -13.0479 -10.5172 -10.5172 -9.5708 -9.5708 -9.0511 -9.0511 -8.9279 -8.9279 -3.7700 -3.7700 -3.7537 -3.7537 -1.5754 -1.5754 -0.6162 -0.6162 -0.0743 -0.0743 0.1824 0.1824 1.0895 1.0895 1.2966 1.2966 1.4962 1.4962 1.8163 1.8163 2.8091 2.8091 2.9431 2.9431 3.6783 3.6783 3.7984 3.7984 3.8942 3.8942 4.2876 4.2876 5.0329 5.0329 5.4466 5.4466 11.8603 11.8603 12.0468 12.0468 12.1565 12.1565 12.2027 12.2027 12.8961 12.8961 k = 0.0000 0.0000 0.3262 ( 4292 PWs) bands (ev): -13.4052 -13.4052 -13.0370 -13.0370 -10.5419 -10.5419 -9.5223 -9.5223 -9.0604 -9.0604 -8.9286 -8.9286 -3.7434 -3.7434 -3.7221 -3.7221 -1.6876 -1.6876 -0.6305 -0.6305 -0.0540 -0.0540 0.1690 0.1690 1.1235 1.1235 1.2309 1.2309 1.5775 1.5775 1.7794 1.7794 2.8162 2.8162 2.9809 2.9809 3.6676 3.6676 3.7797 3.7797 3.8994 3.8994 4.3005 4.3005 5.0058 5.0058 5.4497 5.4497 11.7878 11.7878 12.1453 12.1453 12.1593 12.1593 12.3028 12.3028 12.9427 12.9427 k = 0.0000 0.0000 0.3099 ( 4296 PWs) bands (ev): -13.4188 -13.4188 -13.0266 -13.0266 -10.5653 -10.5653 -9.4740 -9.4740 -9.0696 -9.0696 -8.9297 -8.9297 -3.7158 -3.7158 -3.6889 -3.6889 -1.7971 -1.7971 -0.6434 -0.6434 -0.0348 -0.0348 0.1550 0.1550 1.1570 1.1570 1.1651 1.1651 1.6543 1.6543 1.7389 1.7389 2.8229 2.8229 3.0226 3.0226 3.6571 3.6571 3.7624 3.7624 3.9042 3.9042 4.3132 4.3132 4.9787 4.9787 5.4521 5.4521 11.7144 11.7144 12.1627 12.1627 12.2497 12.2497 12.4021 12.4021 12.9916 12.9916 k = 0.0000 0.0000 0.2936 ( 4290 PWs) bands (ev): -13.4320 -13.4320 -13.0167 -13.0167 -10.5874 -10.5874 -9.4261 -9.4261 -9.0787 -9.0787 -8.9310 -8.9310 -3.6874 -3.6874 -3.6540 -3.6540 -1.9037 -1.9037 -0.6549 -0.6549 -0.0170 -0.0170 0.1408 0.1408 1.0974 1.0974 1.1921 1.1921 1.6949 1.6949 1.7261 1.7261 2.8290 2.8290 3.0679 3.0679 3.6467 3.6467 3.7466 3.7466 3.9089 3.9089 4.3255 4.3255 4.9521 4.9521 5.4539 5.4539 11.6410 11.6410 12.1667 12.1667 12.3592 12.3592 12.4944 12.4944 12.9910 12.9910 k = 0.0000 0.0000 0.2773 ( 4290 PWs) bands (ev): -13.4447 -13.4447 -13.0073 -13.0073 -10.6083 -10.6083 -9.3788 -9.3788 -9.0877 -9.0877 -8.9326 -8.9326 -3.6585 -3.6585 -3.6179 -3.6179 -2.0070 -2.0070 -0.6650 -0.6650 -0.0007 -0.0007 0.1265 0.1265 1.0309 1.0309 1.2264 1.2264 1.6484 1.6484 1.7924 1.7924 2.8344 2.8344 3.1164 3.1164 3.6366 3.6366 3.7322 3.7322 3.9134 3.9134 4.3376 4.3376 4.9259 4.9259 5.4552 5.4552 11.5680 11.5680 12.1710 12.1710 12.4733 12.4733 12.5685 12.5685 12.9768 12.9768 k = 0.0000 0.0000 0.2610 ( 4298 PWs) bands (ev): -13.4570 -13.4570 -12.9984 -12.9984 -10.6278 -10.6278 -9.3323 -9.3323 -9.0964 -9.0964 -8.9344 -8.9344 -3.6293 -3.6293 -3.5808 -3.5808 -2.1068 -2.1068 -0.6737 -0.6737 0.0138 0.0138 0.1124 0.1124 0.9651 0.9651 1.2605 1.2605 1.5997 1.5997 1.8531 1.8531 2.8389 2.8389 3.1676 3.1676 3.6268 3.6268 3.7193 3.7193 3.9178 3.9178 4.3494 4.3494 4.9003 4.9003 5.4561 5.4561 11.4960 11.4960 12.1754 12.1754 12.5908 12.5908 12.6078 12.6078 12.9638 12.9638 k = 0.0000 0.0000 0.2447 ( 4298 PWs) bands (ev): -13.4687 -13.4687 -12.9900 -12.9900 -10.6461 -10.6461 -9.2868 -9.2868 -9.1049 -9.1049 -8.9364 -8.9364 -3.6000 -3.6000 -3.5429 -3.5429 -2.2027 -2.2027 -0.6808 -0.6808 0.0264 0.0264 0.0988 0.0988 0.9009 0.9009 1.2942 1.2942 1.5493 1.5493 1.9083 1.9083 2.8425 2.8425 3.2210 3.2210 3.6174 3.6174 3.7077 3.7077 3.9221 3.9221 4.3609 4.3609 4.8755 4.8755 5.4567 5.4567 11.4255 11.4255 12.1798 12.1798 12.6017 12.6017 12.7130 12.7130 12.9523 12.9523 k = 0.0000 0.0000 0.2284 ( 4294 PWs) bands (ev): -13.4798 -13.4798 -12.9822 -12.9822 -10.6632 -10.6632 -9.2426 -9.2426 -9.1131 -9.1131 -8.9384 -8.9384 -3.5710 -3.5710 -3.5046 -3.5046 -2.2943 -2.2943 -0.6866 -0.6866 0.0367 0.0367 0.0856 0.0856 0.8388 0.8388 1.3273 1.3273 1.4978 1.4978 1.9582 1.9582 2.8451 2.8451 3.2757 3.2757 3.6084 3.6084 3.6974 3.6974 3.9263 3.9263 4.3721 4.3721 4.8516 4.8516 5.4572 5.4572 11.3569 11.3569 12.1840 12.1840 12.5643 12.5643 12.8370 12.8370 12.9424 12.9424 k = 0.0000 0.0000 0.2120 ( 4300 PWs) bands (ev): -13.4903 -13.4903 -12.9749 -12.9749 -10.6790 -10.6790 -9.1999 -9.1999 -9.1210 -9.1210 -8.9406 -8.9406 -3.5425 -3.5425 -3.4662 -3.4662 -2.3815 -2.3815 -0.6908 -0.6908 0.0445 0.0445 0.0731 0.0731 0.7796 0.7796 1.3597 1.3597 1.4459 1.4459 2.0030 2.0030 2.8467 2.8467 3.3308 3.3308 3.5999 3.5999 3.6884 3.6884 3.9305 3.9305 4.3830 4.3830 4.8287 4.8287 5.4576 5.4576 11.2907 11.2907 12.1878 12.1878 12.5111 12.5111 12.9343 12.9343 12.9631 12.9631 k = 0.0000 0.0000 0.1957 ( 4290 PWs) bands (ev): -13.5002 -13.5002 -12.9681 -12.9681 -10.6936 -10.6936 -9.1589 -9.1589 -9.1284 -9.1284 -8.9427 -8.9427 -3.5148 -3.5148 -3.4281 -3.4281 -2.4639 -2.4639 -0.6938 -0.6938 0.0493 0.0493 0.0614 0.0614 0.7240 0.7240 1.3909 1.3909 1.3944 1.3944 2.0430 2.0430 2.8473 2.8473 3.3854 3.3854 3.5922 3.5922 3.6804 3.6804 3.9346 3.9346 4.3935 4.3935 4.8070 4.8070 5.4581 5.4581 11.2272 11.2272 12.1912 12.1912 12.4523 12.4523 12.9282 12.9282 13.0901 13.0901 k = 0.0000 0.0000 0.1794 ( 4290 PWs) bands (ev): -13.5094 -13.5094 -12.9618 -12.9618 -10.7070 -10.7070 -9.1356 -9.1356 -9.1197 -9.1197 -8.9449 -8.9449 -3.4880 -3.4880 -3.3907 -3.3907 -2.5411 -2.5411 -0.6954 -0.6954 0.0489 0.0489 0.0527 0.0527 0.6729 0.6729 1.3432 1.3432 1.4216 1.4216 2.0786 2.0786 2.8470 2.8470 3.4382 3.4382 3.5856 3.5856 3.6735 3.6735 3.9387 3.9387 4.4035 4.4035 4.7865 4.7865 5.4586 5.4586 11.1668 11.1668 12.1941 12.1941 12.3928 12.3928 12.9238 12.9238 13.2175 13.2175 k = 0.0000 0.0000 0.1631 ( 4294 PWs) bands (ev): -13.5179 -13.5179 -12.9561 -12.9561 -10.7192 -10.7192 -9.1420 -9.1420 -9.0831 -9.0831 -8.9470 -8.9470 -3.4626 -3.4626 -3.3543 -3.3543 -2.6129 -2.6129 -0.6959 -0.6959 0.0395 0.0395 0.0505 0.0505 0.6268 0.6268 1.2937 1.2937 1.4505 1.4505 2.1100 2.1100 2.8457 2.8457 3.4872 3.4872 3.5814 3.5814 3.6676 3.6676 3.9427 3.9427 4.4130 4.4130 4.7674 4.7674 5.4592 5.4592 11.1099 11.1099 12.1965 12.1965 12.3353 12.3353 12.9210 12.9210 13.3442 13.3442 k = 0.0000 0.0000 0.1468 ( 4306 PWs) bands (ev): -13.5256 -13.5256 -12.9509 -12.9509 -10.7302 -10.7302 -9.1481 -9.1481 -9.0489 -9.0489 -8.9490 -8.9490 -3.4387 -3.4387 -3.3195 -3.3195 -2.6790 -2.6790 -0.6953 -0.6953 0.0301 0.0301 0.0457 0.0457 0.5864 0.5864 1.2464 1.2464 1.4779 1.4779 2.1377 2.1377 2.8436 2.8436 3.5268 3.5268 3.5843 3.5843 3.6626 3.6626 3.9466 3.9466 4.4219 4.4219 4.7498 4.7498 5.4600 5.4600 11.0570 11.0570 12.1983 12.1983 12.2813 12.2813 12.9198 12.9198 13.4691 13.4691 k = 0.0000 0.0000 0.1305 ( 4306 PWs) bands (ev): -13.5326 -13.5326 -12.9462 -12.9462 -10.7400 -10.7400 -9.1535 -9.1535 -9.0175 -9.0175 -8.9509 -8.9509 -3.4165 -3.4165 -3.2866 -3.2866 -2.7390 -2.7390 -0.6939 -0.6939 0.0216 0.0216 0.0379 0.0379 0.5521 0.5521 1.2018 1.2018 1.5033 1.5033 2.1618 2.1618 2.8409 2.8409 3.5442 3.5442 3.6064 3.6064 3.6586 3.6586 3.9504 3.9504 4.4301 4.4301 4.7337 4.7337 5.4610 5.4610 11.0084 11.0084 12.1997 12.1997 12.2315 12.2315 12.9199 12.9199 13.5478 13.5478 k = 0.0000 0.0000 0.1142 ( 4306 PWs) bands (ev): -13.5389 -13.5389 -12.9421 -12.9421 -10.7486 -10.7486 -9.1584 -9.1584 -8.9891 -8.9891 -8.9526 -8.9526 -3.3964 -3.3964 -3.2562 -3.2562 -2.7927 -2.7927 -0.6919 -0.6919 0.0140 0.0140 0.0275 0.0275 0.5237 0.5237 1.1605 1.1605 1.5266 1.5266 2.1826 2.1826 2.8378 2.8378 3.5455 3.5455 3.6393 3.6393 3.6572 3.6572 3.9540 3.9540 4.4376 4.4376 4.7193 4.7193 5.4621 5.4621 10.9645 10.9645 12.1866 12.1866 12.2008 12.2008 12.9209 12.9209 13.5821 13.5821 k = 0.0000 0.0000 0.0979 ( 4296 PWs) bands (ev): -13.5443 -13.5443 -12.9386 -12.9386 -10.7561 -10.7561 -9.1628 -9.1628 -8.9641 -8.9641 -8.9540 -8.9540 -3.3785 -3.3785 -3.2286 -3.2286 -2.8399 -2.8399 -0.6894 -0.6894 0.0073 0.0073 0.0153 0.0153 0.5010 0.5010 1.1233 1.1233 1.5475 1.5475 2.2003 2.2003 2.8345 2.8345 3.5430 3.5430 3.6492 3.6492 3.6793 3.6793 3.9574 3.9574 4.4442 4.4442 4.7066 4.7066 5.4632 5.4632 10.9256 10.9256 12.1471 12.1471 12.2013 12.2013 12.9227 12.9227 13.6113 13.6113 k = 0.0000 0.0000 0.0816 ( 4296 PWs) bands (ev): -13.5490 -13.5490 -12.9356 -12.9356 -10.7624 -10.7624 -9.1664 -9.1664 -8.9558 -8.9558 -8.9420 -8.9420 -3.3630 -3.3630 -3.2044 -3.2044 -2.8803 -2.8803 -0.6868 -0.6868 0.0009 0.0009 0.0032 0.0032 0.4835 0.4835 1.0906 1.0906 1.5658 1.5658 2.2150 2.2150 2.8312 2.8312 3.5398 3.5398 3.6476 3.6476 3.7098 3.7098 3.9604 3.9604 4.4500 4.4500 4.6957 4.6957 5.4644 5.4644 10.8921 10.8921 12.1133 12.1133 12.2017 12.2017 12.9249 12.9249 13.6354 13.6354 k = 0.0000 0.0000 0.0652 ( 4296 PWs) bands (ev): -13.5528 -13.5528 -12.9331 -12.9331 -10.7675 -10.7675 -9.1695 -9.1695 -8.9569 -8.9569 -8.9240 -8.9240 -3.3500 -3.3500 -3.1840 -3.1840 -2.9136 -2.9136 -0.6842 -0.6842 -0.0106 -0.0106 -0.0026 -0.0026 0.4704 0.4704 1.0630 1.0630 1.5811 1.5811 2.2270 2.2270 2.8281 2.8281 3.5368 3.5368 3.6459 3.6459 3.7361 3.7361 3.9630 3.9630 4.4548 4.4548 4.6867 4.6867 5.4655 5.4655 10.8642 10.8642 12.0853 12.0853 12.2018 12.2018 12.9272 12.9272 13.6546 13.6546 k = 0.0000 0.0000 0.0489 ( 4300 PWs) bands (ev): -13.5558 -13.5558 -12.9312 -12.9312 -10.7715 -10.7715 -9.1719 -9.1719 -8.9577 -8.9577 -8.9099 -8.9099 -3.3398 -3.3398 -3.1677 -3.1677 -2.9397 -2.9397 -0.6819 -0.6819 -0.0216 -0.0216 -0.0063 -0.0063 0.4610 0.4610 1.0410 1.0410 1.5933 1.5933 2.2361 2.2361 2.8254 2.8254 3.5344 3.5344 3.6445 3.6445 3.7570 3.7570 3.9651 3.9651 4.4586 4.4586 4.6797 4.6797 5.4664 5.4664 10.8422 10.8422 12.0633 12.0633 12.2019 12.2019 12.9293 12.9293 13.6691 13.6691 k = 0.0000 0.0000 0.0326 ( 4297 PWs) bands (ev): -13.5579 -13.5579 -12.9298 -12.9298 -10.7744 -10.7744 -9.1736 -9.1736 -8.9584 -8.9584 -8.8996 -8.8996 -3.3324 -3.3324 -3.1557 -3.1557 -2.9585 -2.9585 -0.6801 -0.6801 -0.0302 -0.0302 -0.0089 -0.0089 0.4548 0.4548 1.0250 1.0250 1.6021 1.6021 2.2427 2.2427 2.8234 2.8234 3.5325 3.5325 3.6435 3.6435 3.7722 3.7722 3.9666 3.9666 4.4613 4.4613 4.6746 4.6746 5.4672 5.4672 10.8264 10.8264 12.0476 12.0476 12.2019 12.2019 12.9310 12.9310 13.6791 13.6791 k = 0.0000 0.0000 0.0163 ( 4303 PWs) bands (ev): -13.5592 -13.5592 -12.9290 -12.9290 -10.7761 -10.7761 -9.1746 -9.1746 -8.9588 -8.9588 -8.8934 -8.8934 -3.3280 -3.3280 -3.1485 -3.1485 -2.9698 -2.9698 -0.6790 -0.6790 -0.0356 -0.0356 -0.0105 -0.0105 0.4513 0.4513 1.0153 1.0153 1.6075 1.6075 2.2465 2.2465 2.8221 2.8221 3.5314 3.5314 3.6429 3.6429 3.7814 3.7814 3.9676 3.9676 4.4630 4.4630 4.6715 4.6715 5.4676 5.4676 10.8168 10.8168 12.0381 12.0381 12.2018 12.2018 12.9320 12.9320 13.6850 13.6850 k = 0.0000 0.0000 0.0000 ( 4299 PWs) bands (ev): -13.5596 -13.5596 -12.9287 -12.9287 -10.7766 -10.7766 -9.1749 -9.1749 -8.9589 -8.9589 -8.8914 -8.8914 -3.3265 -3.3265 -3.1461 -3.1461 -2.9735 -2.9735 -0.6786 -0.6786 -0.0375 -0.0375 -0.0110 -0.0110 0.4501 0.4501 1.0120 1.0120 1.6093 1.6093 2.2478 2.2478 2.8216 2.8216 3.5310 3.5310 3.6427 3.6427 3.7844 3.7844 3.9679 3.9679 4.4635 4.4635 4.6705 4.6705 5.4678 5.4678 10.8136 10.8136 12.0349 12.0349 12.2018 12.2018 12.9324 12.9324 13.6870 13.6870 k = 0.0000 0.0000 0.0000 ( 4299 PWs) bands (ev): -13.5596 -13.5596 -12.9287 -12.9287 -10.7766 -10.7766 -9.1749 -9.1749 -8.9589 -8.9589 -8.8914 -8.8914 -3.3265 -3.3265 -3.1461 -3.1461 -2.9735 -2.9735 -0.6786 -0.6786 -0.0375 -0.0375 -0.0110 -0.0110 0.4501 0.4501 1.0120 1.0120 1.6093 1.6093 2.2478 2.2478 2.8216 2.8216 3.5310 3.5310 3.6427 3.6427 3.7844 3.7844 3.9679 3.9679 4.4635 4.4635 4.6705 4.6705 5.4678 5.4678 10.8136 10.8136 12.0349 12.0349 12.2018 12.2018 12.9324 12.9324 13.6870 13.6870 k =-0.0139 0.0086 0.0000 ( 4301 PWs) bands (ev): -13.5590 -13.5590 -12.9288 -12.9287 -10.7782 -10.7782 -9.1748 -9.1747 -8.9597 -8.9591 -8.8912 -8.8904 -3.3242 -3.3240 -3.1524 -3.1524 -2.9663 -2.9659 -0.6794 -0.6791 -0.0386 -0.0385 -0.0095 -0.0095 0.4484 0.4486 1.0111 1.0112 1.6106 1.6106 2.2489 2.2490 2.8211 2.8212 3.5295 3.5303 3.6395 3.6407 3.7837 3.7842 3.9674 3.9674 4.4627 4.4630 4.6723 4.6724 5.4671 5.4671 10.8169 10.8170 12.0206 12.0220 12.2156 12.2160 12.9324 12.9325 13.6855 13.6860 k =-0.0278 0.0171 0.0000 ( 4303 PWs) bands (ev): -13.5573 -13.5573 -12.9289 -12.9288 -10.7829 -10.7828 -9.1741 -9.1739 -8.9615 -8.9603 -8.8899 -8.8885 -3.3173 -3.3168 -3.1688 -3.1688 -2.9467 -2.9460 -0.6815 -0.6809 -0.0418 -0.0417 -0.0050 -0.0049 0.4434 0.4439 1.0083 1.0085 1.6146 1.6146 2.2522 2.2524 2.8196 2.8198 3.5254 3.5271 3.6313 3.6337 3.7821 3.7831 3.9658 3.9659 4.4605 4.4611 4.6776 4.6778 5.4648 5.4649 10.8268 10.8269 11.9881 11.9904 12.2487 12.2491 12.9323 12.9325 13.6816 13.6825 k =-0.0417 0.0257 0.0000 ( 4303 PWs) bands (ev): -13.5544 -13.5544 -12.9290 -12.9289 -10.7906 -10.7904 -9.1730 -9.1728 -8.9639 -8.9623 -8.8877 -8.8857 -3.3056 -3.3049 -3.1909 -3.1908 -2.9193 -2.9182 -0.6850 -0.6841 -0.0471 -0.0469 0.0025 0.0026 0.4353 0.4361 1.0037 1.0040 1.6211 1.6212 2.2576 2.2580 2.8171 2.8174 3.5183 3.5208 3.6189 3.6224 3.7795 3.7809 3.9632 3.9633 4.4576 4.4584 4.6860 4.6864 5.4612 5.4612 10.8432 10.8433 11.9485 11.9514 12.2900 12.2901 12.9322 12.9325 13.6754 13.6767 k =-0.0556 0.0343 0.0000 ( 4303 PWs) bands (ev): -13.5504 -13.5504 -12.9291 -12.9290 -10.8012 -10.8011 -9.1715 -9.1712 -8.9669 -8.9650 -8.8848 -8.8822 -3.2893 -3.2884 -3.2155 -3.2153 -2.8871 -2.8858 -0.6896 -0.6885 -0.0544 -0.0542 0.0129 0.0131 0.4242 0.4251 0.9974 0.9978 1.6303 1.6304 2.2652 2.2657 2.8138 2.8141 3.5070 3.5102 3.6037 3.6080 3.7761 3.7777 3.9594 3.9595 4.4542 4.4552 4.6971 4.6974 5.4561 5.4562 10.8659 10.8661 11.9069 11.9104 12.3339 12.3341 12.9321 12.9324 13.6674 13.6690 k =-0.0694 0.0429 0.0000 ( 4309 PWs) bands (ev): -13.5452 -13.5452 -12.9293 -12.9291 -10.8148 -10.8146 -9.1697 -9.1692 -8.9702 -8.9680 -8.8814 -8.8784 -3.2684 -3.2672 -3.2409 -3.2406 -2.8520 -2.8504 -0.6954 -0.6940 -0.0638 -0.0635 0.0262 0.0264 0.4100 0.4112 0.9893 0.9897 1.6420 1.6421 2.2748 2.2754 2.8095 2.8099 3.4899 3.4936 3.5875 3.5922 3.7719 3.7736 3.9545 3.9546 4.4509 4.4520 4.7101 4.7105 5.4497 5.4498 10.8948 10.8950 11.8655 11.8695 12.3782 12.3788 12.9318 12.9322 13.6577 13.6596 k =-0.0833 0.0514 0.0000 ( 4299 PWs) bands (ev): -13.5389 -13.5389 -12.9296 -12.9293 -10.8311 -10.8309 -9.1674 -9.1669 -8.9737 -8.9714 -8.8776 -8.8743 -3.2662 -3.2658 -3.2429 -3.2416 -2.8147 -2.8129 -0.7023 -0.7006 -0.0751 -0.0748 0.0423 0.0425 0.3930 0.3944 0.9794 0.9799 1.6562 1.6563 2.2864 2.2871 2.8044 2.8049 3.4657 3.4694 3.5723 3.5768 3.7668 3.7685 3.9484 3.9485 4.4481 4.4493 4.7247 4.7250 5.4420 5.4420 10.9296 10.9299 11.8256 11.8300 12.4219 12.4229 12.9315 12.9320 13.6468 13.6490 k =-0.0972 0.0600 0.0000 ( 4305 PWs) bands (ev): -13.5316 -13.5315 -12.9298 -12.9296 -10.8500 -10.8498 -9.1649 -9.1644 -8.9772 -8.9748 -8.8737 -8.8701 -3.2909 -3.2904 -3.2131 -3.2115 -2.7759 -2.7739 -0.7101 -0.7081 -0.0882 -0.0880 0.0610 0.0612 0.3733 0.3749 0.9677 0.9683 1.6728 1.6729 2.2998 2.3006 2.7986 2.7992 3.4337 3.4370 3.5586 3.5625 3.7611 3.7626 3.9410 3.9411 4.4461 4.4473 4.7402 4.7404 5.4330 5.4331 10.9701 10.9704 11.7878 11.7926 12.4643 12.4657 12.9312 12.9317 13.6351 13.6374 k =-0.1111 0.0686 0.0000 ( 4291 PWs) bands (ev): -13.5231 -13.5231 -12.9301 -12.9298 -10.8714 -10.8711 -9.1622 -9.1616 -8.9807 -8.9781 -8.8697 -8.8659 -3.3148 -3.3141 -3.1789 -3.1772 -2.7360 -2.7337 -0.7188 -0.7165 -0.1032 -0.1030 0.0823 0.0825 0.3511 0.3529 0.9543 0.9550 1.6917 1.6918 2.3150 2.3158 2.7920 2.7927 3.3945 3.3972 3.5461 3.5492 3.7547 3.7561 3.9323 3.9325 4.4451 4.4463 4.7562 4.7563 5.4230 5.4231 11.0158 11.0163 11.7528 11.7579 12.5048 12.5065 12.9308 12.9313 13.6228 13.6252 k =-0.1250 0.0771 0.0000 ( 4295 PWs) bands (ev): -13.5136 -13.5136 -12.9305 -12.9301 -10.8950 -10.8948 -9.1593 -9.1586 -8.9840 -8.9813 -8.8658 -8.8618 -3.3376 -3.3368 -3.1406 -3.1386 -2.6950 -2.6925 -0.7282 -0.7257 -0.1199 -0.1197 0.1060 0.1063 0.3266 0.3285 0.9391 0.9398 1.7129 1.7129 2.3317 2.3326 2.7849 2.7856 3.3490 3.3512 3.5338 3.5360 3.7478 3.7490 3.9223 3.9224 4.4452 4.4463 4.7725 4.7725 5.4119 5.4120 11.0666 11.0671 11.7208 11.7263 12.5431 12.5450 12.9305 12.9310 13.6102 13.6127 k =-0.1389 0.0857 0.0000 ( 4290 PWs) bands (ev): -13.5031 -13.5031 -12.9308 -12.9305 -10.9208 -10.9205 -9.1562 -9.1555 -8.9870 -8.9843 -8.8621 -8.8579 -3.3593 -3.3584 -3.0982 -3.0960 -2.6532 -2.6505 -0.7383 -0.7354 -0.1381 -0.1381 0.1320 0.1323 0.2999 0.3019 0.9222 0.9230 1.7362 1.7362 2.3498 2.3509 2.7772 2.7780 3.2983 3.3001 3.5209 3.5224 3.7405 3.7415 3.9109 3.9111 4.4465 4.4474 4.7886 4.7888 5.3999 5.4000 11.1220 11.1226 11.6923 11.6981 12.5785 12.5806 12.9304 12.9310 13.5976 13.6001 k =-0.1528 0.0943 0.0000 ( 4294 PWs) bands (ev): -13.4917 -13.4916 -12.9312 -12.9308 -10.9485 -10.9482 -9.1530 -9.1523 -8.9897 -8.9871 -8.8586 -8.8543 -3.3796 -3.3787 -3.0520 -3.0496 -2.6108 -2.6079 -0.7488 -0.7458 -0.1579 -0.1578 0.1602 0.1605 0.2712 0.2733 0.9035 0.9043 1.7615 1.7616 2.3692 2.3703 2.7690 2.7700 3.2431 3.2446 3.5068 3.5077 3.7331 3.7339 3.8983 3.8985 4.4487 4.4496 4.8043 4.8047 5.3870 5.3872 11.1817 11.1823 11.6675 11.6736 12.6107 12.6129 12.9309 12.9314 13.5852 13.5876 k =-0.1667 0.1029 0.0000 ( 4286 PWs) bands (ev): -13.4793 -13.4792 -12.9316 -12.9312 -10.9779 -10.9776 -9.1499 -9.1490 -8.9922 -8.9895 -8.8554 -8.8510 -3.3987 -3.3976 -3.0020 -2.9994 -2.5679 -2.5648 -0.7599 -0.7565 -0.1791 -0.1789 0.1904 0.1908 0.2409 0.2430 0.8830 0.8839 1.7888 1.7889 2.3897 2.3909 2.7605 2.7616 3.1844 3.1857 3.4912 3.4915 3.7257 3.7262 3.8844 3.8845 4.4520 4.4528 4.8196 4.8201 5.3736 5.3737 11.2452 11.2458 11.6467 11.6530 12.6392 12.6414 12.9323 12.9326 13.5730 13.5754 k =-0.1806 0.1114 0.0000 ( 4290 PWs) bands (ev): -13.4660 -13.4660 -12.9320 -12.9316 -11.0088 -11.0085 -9.1467 -9.1458 -8.9942 -8.9915 -8.8525 -8.8480 -3.4164 -3.4153 -2.9485 -2.9456 -2.5245 -2.5212 -0.7712 -0.7676 -0.2016 -0.2011 0.2082 0.2109 0.2231 0.2233 0.8607 0.8616 1.8179 1.8180 2.4110 2.4123 2.7516 2.7529 3.1228 3.1239 3.4736 3.4738 3.7184 3.7186 3.8692 3.8694 4.4562 4.4568 4.8342 4.8348 5.3596 5.3598 11.3121 11.3128 11.6300 11.6364 12.6633 12.6655 12.9350 12.9352 13.5613 13.5636 k =-0.1944 0.1200 0.0000 ( 4290 PWs) bands (ev): -13.4519 -13.4519 -12.9325 -12.9321 -11.0409 -11.0406 -9.1435 -9.1427 -8.9959 -8.9932 -8.8500 -8.8455 -3.4328 -3.4316 -2.8916 -2.8885 -2.4809 -2.4773 -0.7828 -0.7789 -0.2251 -0.2244 0.1753 0.1777 0.2568 0.2569 0.8366 0.8375 1.8486 1.8488 2.4331 2.4345 2.7426 2.7440 3.0589 3.0600 3.4537 3.4544 3.7112 3.7113 3.8528 3.8530 4.4610 4.4615 4.8480 4.8488 5.3452 5.3454 11.3821 11.3829 11.6175 11.6241 12.6826 12.6846 12.9395 12.9396 13.5501 13.5523 k =-0.2083 0.1286 0.0000 ( 4280 PWs) bands (ev): -13.4371 -13.4370 -12.9329 -12.9325 -11.0742 -11.0739 -9.1404 -9.1396 -8.9971 -8.9944 -8.8479 -8.8433 -3.4479 -3.4466 -2.8316 -2.8283 -2.4371 -2.4333 -0.7946 -0.7904 -0.2495 -0.2486 0.1410 0.1432 0.2922 0.2924 0.8107 0.8116 1.8810 1.8812 2.4556 2.4570 2.7335 2.7349 2.9935 2.9945 3.4318 3.4329 3.7043 3.7044 3.8352 3.8355 4.4664 4.4668 4.8609 4.8618 5.3306 5.3308 11.4548 11.4556 11.6093 11.6160 12.6967 12.6984 12.9461 12.9462 13.5394 13.5415 k =-0.2222 0.1372 0.0000 ( 4276 PWs) bands (ev): -13.4215 -13.4215 -12.9334 -12.9330 -11.1082 -11.1080 -9.1375 -9.1366 -8.9980 -8.9952 -8.8463 -8.8417 -3.4616 -3.4603 -2.7687 -2.7652 -2.3932 -2.3892 -0.8064 -0.8020 -0.2747 -0.2735 0.1057 0.1078 0.3290 0.3292 0.7829 0.7839 1.9147 1.9151 2.4782 2.4798 2.7243 2.7259 2.9274 2.9283 3.4078 3.4092 3.6977 3.6980 3.8166 3.8168 4.4721 4.4724 4.8729 4.8739 5.3159 5.3161 11.5297 11.5306 11.6054 11.6123 12.7052 12.7066 12.9549 12.9553 13.5293 13.5313 k =-0.2361 0.1457 0.0000 ( 4272 PWs) bands (ev): -13.4054 -13.4053 -12.9339 -12.9334 -11.1429 -11.1427 -9.1346 -9.1338 -8.9983 -8.9955 -8.8451 -8.8404 -3.4740 -3.4727 -2.7031 -2.6994 -2.3493 -2.3452 -0.8183 -0.8136 -0.3005 -0.2989 0.0696 0.0717 0.3668 0.3670 0.7535 0.7545 1.9497 1.9502 2.5007 2.5024 2.7151 2.7168 2.8611 2.8620 3.3818 3.3835 3.6915 3.6919 3.7969 3.7972 4.4780 4.4782 4.8840 4.8851 5.3013 5.3015 11.6058 11.6066 11.6074 11.6129 12.7084 12.7095 12.9659 12.9665 13.5199 13.5217 k =-0.2500 0.1543 0.0000 ( 4264 PWs) bands (ev): -13.3887 -13.3887 -12.9344 -12.9339 -11.1780 -11.1778 -9.1319 -9.1311 -8.9983 -8.9955 -8.8444 -8.8397 -3.4851 -3.4838 -2.6351 -2.6311 -2.3057 -2.3013 -0.8301 -0.8251 -0.3267 -0.3247 0.0331 0.0349 0.4051 0.4053 0.7226 0.7237 1.9859 1.9865 2.5222 2.5241 2.7060 2.7079 2.7959 2.7968 3.3539 3.3558 3.6857 3.6861 3.7762 3.7766 4.4840 4.4841 4.8941 4.8953 5.2868 5.2870 11.6107 11.6177 11.6847 11.6857 12.7068 12.7076 12.9786 12.9794 13.5110 13.5127 k =-0.2639 0.1629 0.0000 ( 4264 PWs) bands (ev): -13.3716 -13.3716 -12.9348 -12.9344 -11.2133 -11.2130 -9.1294 -9.1286 -8.9977 -8.9949 -8.8442 -8.8395 -3.4950 -3.4937 -2.5649 -2.5608 -2.2623 -2.2578 -0.8418 -0.8366 -0.3531 -0.3507 -0.0038 -0.0021 0.4431 0.4434 0.6909 0.6920 2.0230 2.0237 2.5415 2.5435 2.6970 2.6991 2.7335 2.7345 3.3241 3.3263 3.6801 3.6807 3.7547 3.7551 4.4899 4.4899 4.9032 4.9045 5.2725 5.2727 11.6197 11.6267 11.7640 11.7650 12.7008 12.7013 12.9926 12.9934 13.5027 13.5043 k =-0.2778 0.1714 0.0000 ( 4266 PWs) bands (ev): -13.3542 -13.3542 -12.9353 -12.9349 -11.2485 -11.2483 -9.1270 -9.1262 -8.9968 -8.9940 -8.8444 -8.8397 -3.5037 -3.5025 -2.4929 -2.4885 -2.2194 -2.2147 -0.8534 -0.8478 -0.3795 -0.3766 -0.0407 -0.0393 0.4788 0.4791 0.6601 0.6612 2.0609 2.0617 2.5537 2.5558 2.6786 2.6797 2.6888 2.6908 3.2929 3.2953 3.6749 3.6754 3.7324 3.7329 4.4955 4.4955 4.9115 4.9128 5.2587 5.2589 11.6327 11.6397 11.8439 11.8450 12.6910 12.6912 13.0071 13.0080 13.4950 13.4965 k =-0.2917 0.1800 0.0000 ( 4256 PWs) bands (ev): -13.3366 -13.3365 -12.9358 -12.9353 -11.2834 -11.2832 -9.1248 -9.1240 -8.9954 -8.9926 -8.8451 -8.8404 -3.5114 -3.5101 -2.4194 -2.4148 -2.1771 -2.1722 -0.8648 -0.8589 -0.4056 -0.4023 -0.0775 -0.0765 0.5064 0.5069 0.6359 0.6368 2.0993 2.1003 2.5447 2.5461 2.6476 2.6478 2.6802 2.6825 3.2603 3.2629 3.6696 3.6701 3.7096 3.7103 4.5007 4.5009 4.9188 4.9202 5.2454 5.2456 11.6497 11.6566 11.9241 11.9252 12.6779 12.6779 13.0218 13.0226 13.4879 13.4892 k =-0.3056 0.1886 0.0000 ( 4260 PWs) bands (ev): -13.3189 -13.3189 -12.9362 -12.9358 -11.3178 -11.3175 -9.1228 -9.1220 -8.9936 -8.9908 -8.8463 -8.8416 -3.5179 -3.5167 -2.3447 -2.3399 -2.1355 -2.1306 -0.8759 -0.8697 -0.4313 -0.4275 -0.1141 -0.1133 0.5120 0.5128 0.6319 0.6325 2.1380 2.1392 2.5054 2.5059 2.6476 2.6483 2.6723 2.6747 3.2268 3.2295 3.6636 3.6640 3.6873 3.6881 4.5056 4.5058 4.9254 4.9268 5.2326 5.2328 11.6704 11.6773 12.0041 12.0053 12.6616 12.6618 13.0363 13.0370 13.4813 13.4824 k =-0.3194 0.1972 0.0000 ( 4256 PWs) bands (ev): -13.3013 -13.3012 -12.9367 -12.9363 -11.3514 -11.3512 -9.1209 -9.1202 -8.9915 -8.9886 -8.8479 -8.8433 -3.5235 -3.5224 -2.2692 -2.2642 -2.0950 -2.0900 -0.8868 -0.8803 -0.4563 -0.4521 -0.1500 -0.1497 0.4897 0.4909 0.6538 0.6541 2.1768 2.1782 2.4538 2.4539 2.6612 2.6615 2.6658 2.6676 3.1926 3.1955 3.6523 3.6526 3.6700 3.6710 4.5100 4.5102 4.9313 4.9327 5.2205 5.2207 11.6947 11.7014 12.0835 12.0848 12.6426 12.6430 13.0503 13.0509 13.4753 13.4762 k =-0.3333 0.2057 0.0000 ( 4258 PWs) bands (ev): -13.2839 -13.2838 -12.9371 -12.9367 -11.3839 -11.3837 -9.1192 -9.1185 -8.9890 -8.9861 -8.8498 -8.8453 -3.5282 -3.5271 -2.1934 -2.1882 -2.0556 -2.0505 -0.8973 -0.8905 -0.4805 -0.4758 -0.1853 -0.1853 0.4531 0.4544 0.6881 0.6883 2.2154 2.2171 2.4006 2.4006 2.6573 2.6604 2.6788 2.6806 3.1582 3.1612 3.6314 3.6318 3.6621 3.6630 4.5139 4.5142 4.9365 4.9378 5.2091 5.2093 11.7222 11.7288 12.1618 12.1631 12.6211 12.6217 13.0637 13.0642 13.4698 13.4706 k =-0.3472 0.2143 0.0000 ( 4258 PWs) bands (ev): -13.2668 -13.2668 -12.9375 -12.9371 -11.4152 -11.4150 -9.1177 -9.1171 -8.9861 -8.9832 -8.8522 -8.8477 -3.5321 -3.5311 -2.1178 -2.1124 -2.0176 -2.0125 -0.9076 -0.9005 -0.5036 -0.4984 -0.2199 -0.2195 0.4105 0.4119 0.7263 0.7265 2.2534 2.2554 2.3490 2.3491 2.6508 2.6541 2.6966 2.6986 3.1239 3.1270 3.6072 3.6078 3.6575 3.6583 4.5173 4.5176 4.9410 4.9424 5.1985 5.1987 11.7527 11.7592 12.2386 12.2400 12.5972 12.5980 13.0763 13.0767 13.4648 13.4655 k =-0.3611 0.2229 0.0000 ( 4254 PWs) bands (ev): -13.2503 -13.2503 -12.9379 -12.9375 -11.4450 -11.4448 -9.1163 -9.1157 -8.9830 -8.9801 -8.8548 -8.8505 -3.5353 -3.5343 -2.0430 -2.0374 -1.9812 -1.9762 -0.9175 -0.9102 -0.5253 -0.5198 -0.2533 -0.2524 0.3650 0.3665 0.7653 0.7655 2.2906 2.2928 2.3002 2.3005 2.6449 2.6485 2.7138 2.7160 3.0903 3.0935 3.5825 3.5831 3.6538 3.6545 4.5202 4.5205 4.9451 4.9463 5.1887 5.1889 11.7860 11.7923 12.3133 12.3147 12.5709 12.5720 13.0881 13.0884 13.4605 13.4611 k =-0.3750 0.2314 0.0000 ( 4250 PWs) bands (ev): -13.2346 -13.2346 -12.9382 -12.9379 -11.4729 -11.4728 -9.1151 -9.1146 -8.9796 -8.9768 -8.8577 -8.8536 -3.5379 -3.5369 -1.9696 -1.9639 -1.9468 -1.9419 -0.9271 -0.9196 -0.5455 -0.5398 -0.2850 -0.2838 0.3182 0.3198 0.8038 0.8040 2.2549 2.2551 2.3265 2.3290 2.6397 2.6435 2.7300 2.7324 3.0578 3.0611 3.5577 3.5584 3.6505 3.6512 4.5226 4.5228 4.9486 4.9498 5.1798 5.1800 11.8218 11.8279 12.3852 12.3866 12.5424 12.5437 13.0990 13.0992 13.4568 13.4572 k =-0.3889 0.2400 0.0000 ( 4250 PWs) bands (ev): -13.2198 -13.2198 -12.9385 -12.9382 -11.4988 -11.4987 -9.1140 -9.1136 -8.9761 -8.9733 -8.8608 -8.8568 -3.5398 -3.5390 -1.9146 -1.9100 -1.8984 -1.8926 -0.9364 -0.9287 -0.5640 -0.5581 -0.3149 -0.3134 0.2712 0.2728 0.8409 0.8410 2.2135 2.2137 2.3606 2.3634 2.6352 2.6392 2.7447 2.7473 3.0271 3.0305 3.5335 3.5342 3.6476 3.6482 4.5245 4.5247 4.9517 4.9528 5.1718 5.1720 11.8597 11.8656 12.4538 12.4552 12.5117 12.5133 13.1090 13.1091 13.4539 13.4542 k =-0.4028 0.2486 0.0000 ( 4250 PWs) bands (ev): -13.2061 -13.2061 -12.9388 -12.9386 -11.5225 -11.5223 -9.1131 -9.1127 -8.9725 -8.9698 -8.8640 -8.8603 -3.5414 -3.5406 -1.8849 -1.8806 -1.8304 -1.8245 -0.9454 -0.9376 -0.5806 -0.5747 -0.3425 -0.3407 0.2250 0.2266 0.8758 0.8759 2.1763 2.1764 2.3924 2.3955 2.6315 2.6358 2.7577 2.7604 2.9987 3.0022 3.5102 3.5109 3.6450 3.6455 4.5260 4.5262 4.9544 4.9553 5.1647 5.1649 11.8994 11.9051 12.4789 12.4805 12.5184 12.5196 13.1179 13.1180 13.4517 13.4519 k =-0.4167 0.2572 0.0000 ( 4252 PWs) bands (ev): -13.1938 -13.1937 -12.9391 -12.9388 -11.5435 -11.5434 -9.1123 -9.1120 -8.9689 -8.9663 -8.8672 -8.8637 -3.5425 -3.5418 -1.8582 -1.8542 -1.7665 -1.7607 -0.9538 -0.9463 -0.5952 -0.5894 -0.3676 -0.3656 0.1808 0.1825 0.9079 0.9081 2.1434 2.1435 2.4213 2.4247 2.6289 2.6333 2.7687 2.7715 2.9733 2.9768 3.4884 3.4890 3.6428 3.6432 4.5272 4.5274 4.9566 4.9575 5.1585 5.1587 11.9406 11.9461 12.4441 12.4461 12.5777 12.5789 13.1259 13.1259 13.4504 13.4504 k =-0.4306 0.2657 0.0000 ( 4246 PWs) bands (ev): -13.1829 -13.1829 -12.9393 -12.9391 -11.5618 -11.5617 -9.1117 -9.1114 -8.9653 -8.9630 -8.8702 -8.8671 -3.5433 -3.5428 -1.8347 -1.8312 -1.7082 -1.7026 -0.9618 -0.9546 -0.6075 -0.6021 -0.3896 -0.3875 0.1400 0.1415 0.9366 0.9367 2.1151 2.1152 2.4468 2.4503 2.6272 2.6316 2.7775 2.7803 2.9515 2.9549 3.4685 3.4691 3.6408 3.6412 4.5280 4.5282 4.9586 4.9593 5.1533 5.1534 11.9831 11.9883 12.4075 12.4098 12.6309 12.6321 13.1327 13.1327 13.4499 13.4499 k =-0.4444 0.2743 0.0000 ( 4252 PWs) bands (ev): -13.1738 -13.1737 -12.9394 -12.9393 -11.5771 -11.5770 -9.1111 -9.1109 -8.9621 -8.9600 -8.8730 -8.8703 -3.5439 -3.5434 -1.8148 -1.8118 -1.6567 -1.6517 -0.9690 -0.9625 -0.6175 -0.6128 -0.4082 -0.4063 0.1039 0.1052 0.9612 0.9613 2.0916 2.0917 2.4683 2.4717 2.6267 2.6308 2.7841 2.7867 2.9339 2.9370 3.4510 3.4516 3.6392 3.6395 4.5286 4.5288 4.9601 4.9607 5.1490 5.1491 12.0264 12.0314 12.3691 12.3717 12.6769 12.6780 13.1384 13.1384 13.4502 13.4502 k =-0.4583 0.2829 0.0000 ( 4260 PWs) bands (ev): -13.1665 -13.1664 -12.9396 -12.9395 -11.5892 -11.5892 -9.1107 -9.1105 -8.9592 -8.9575 -8.8753 -8.8732 -3.5442 -3.5439 -1.7988 -1.7965 -1.6139 -1.6097 -0.9750 -0.9696 -0.6252 -0.6213 -0.4230 -0.4214 0.0738 0.0750 0.9810 0.9811 2.0731 2.0732 2.4854 2.4883 2.6271 2.6307 2.7885 2.7908 2.9206 2.9233 3.4367 3.4371 3.6379 3.6382 4.5290 4.5292 4.9613 4.9618 5.1457 5.1457 12.0704 12.0750 12.3292 12.3321 12.7146 12.7154 13.1428 13.1429 13.4511 13.4512 k =-0.4722 0.2915 0.0000 ( 4258 PWs) bands (ev): -13.1611 -13.1611 -12.9397 -12.9396 -11.5980 -11.5980 -9.1104 -9.1103 -8.9568 -8.9557 -8.8771 -8.8756 -3.5444 -3.5442 -1.7870 -1.7854 -1.5813 -1.5782 -0.9796 -0.9756 -0.6304 -0.6277 -0.4338 -0.4326 0.0513 0.0521 0.9957 0.9957 2.0597 2.0598 2.4977 2.5000 2.6281 2.6308 2.7912 2.7928 2.9118 2.9137 3.4260 3.4263 3.6370 3.6372 4.5293 4.5294 4.9622 4.9625 5.1433 5.1433 12.1145 12.1189 12.2880 12.2912 12.7426 12.7432 13.1461 13.1461 13.4523 13.4524 k =-0.4861 0.3000 0.0000 ( 4264 PWs) bands (ev): -13.1579 -13.1579 -12.9397 -12.9397 -11.6033 -11.6033 -9.1102 -9.1101 -8.9552 -8.9546 -8.8780 -8.8772 -3.5445 -3.5444 -1.7796 -1.7788 -1.5606 -1.5589 -0.9821 -0.9800 -0.6332 -0.6318 -0.4402 -0.4395 0.0373 0.0378 1.0046 1.0047 2.0517 2.0517 2.5054 2.5066 2.6294 2.6309 2.7926 2.7935 2.9070 2.9080 3.4194 3.4196 3.6365 3.6366 4.5295 4.5295 4.9628 4.9629 5.1418 5.1419 12.1587 12.1628 12.2457 12.2492 12.7599 12.7602 13.1481 13.1481 13.4533 13.4533 k =-0.5000 0.3086 0.0000 ( 4266 PWs) bands (ev): -13.1568 -13.1568 -12.9397 -12.9397 -11.6051 -11.6051 -9.1101 -9.1101 -8.9544 -8.9544 -8.8780 -8.8780 -3.5445 -3.5445 -1.7769 -1.7769 -1.5529 -1.5529 -0.9822 -0.9822 -0.6337 -0.6337 -0.4421 -0.4421 0.0327 0.0327 1.0077 1.0077 2.0490 2.0490 2.5084 2.5084 2.6304 2.6304 2.7933 2.7933 2.9058 2.9058 3.4172 3.4172 3.6363 3.6363 4.5296 4.5296 4.9630 4.9630 5.1414 5.1414 12.2020 12.2020 12.2068 12.2068 12.7659 12.7659 13.1488 13.1488 13.4537 13.4537 k =-0.5000 0.3086 0.0000 ( 4266 PWs) bands (ev): -13.1568 -13.1568 -12.9397 -12.9397 -11.6051 -11.6051 -9.1101 -9.1101 -8.9544 -8.9544 -8.8780 -8.8780 -3.5445 -3.5445 -1.7769 -1.7769 -1.5529 -1.5529 -0.9822 -0.9822 -0.6337 -0.6337 -0.4421 -0.4421 0.0327 0.0327 1.0077 1.0077 2.0490 2.0490 2.5084 2.5084 2.6304 2.6304 2.7933 2.7933 2.9058 2.9058 3.4172 3.4172 3.6363 3.6363 4.5296 4.5296 4.9630 4.9630 5.1414 5.1414 12.2020 12.2020 12.2068 12.2068 12.7659 12.7659 13.1488 13.1488 13.4537 13.4537 k =-0.4914 0.3225-0.0000 ( 4266 PWs) bands (ev): -13.1570 -13.1570 -12.9398 -12.9398 -11.6041 -11.6041 -9.1185 -9.1167 -8.9540 -8.9537 -8.8732 -8.8709 -3.5441 -3.5440 -1.7807 -1.7802 -1.5453 -1.5450 -0.9832 -0.9831 -0.6353 -0.6351 -0.4537 -0.4505 0.0404 0.0438 1.0078 1.0081 2.0490 2.0492 2.5080 2.5097 2.6277 2.6293 2.7928 2.7945 2.9040 2.9058 3.4179 3.4185 3.6359 3.6363 4.5305 4.5310 4.9596 4.9604 5.1403 5.1411 12.2022 12.2024 12.2074 12.2078 12.7706 12.7710 13.1373 13.1427 13.4629 13.4683 k =-0.4828 0.3365-0.0000 ( 4270 PWs) bands (ev): -13.1575 -13.1575 -12.9400 -12.9400 -11.6012 -11.6012 -9.1397 -9.1365 -8.9525 -8.9519 -8.8580 -8.8540 -3.5426 -3.5425 -1.7902 -1.7892 -1.5236 -1.5230 -0.9859 -0.9859 -0.6400 -0.6395 -0.4829 -0.4772 0.0649 0.0711 1.0084 1.0091 2.0493 2.0498 2.5088 2.5122 2.6211 2.6242 2.7930 2.7965 2.9004 2.9040 3.4206 3.4217 3.6351 3.6358 4.5338 4.5347 4.9502 4.9517 5.1379 5.1395 12.2031 12.2033 12.2101 12.2107 12.7850 12.7857 13.1125 13.1218 13.4932 13.5023 k =-0.4742 0.3504-0.0000 ( 4272 PWs) bands (ev): -13.1584 -13.1584 -12.9403 -12.9403 -11.5964 -11.5964 -9.1695 -9.1656 -8.9499 -8.9490 -8.8365 -8.8313 -3.5403 -3.5400 -1.8022 -1.8008 -1.4910 -1.4900 -0.9905 -0.9904 -0.6477 -0.6468 -0.5250 -0.5176 0.1018 0.1100 1.0096 1.0105 2.0500 2.0507 2.5105 2.5155 2.6106 2.6152 2.7941 2.7992 2.8952 2.9004 3.4252 3.4269 3.6339 3.6350 4.5393 4.5408 4.9352 4.9373 5.1340 5.1363 12.2046 12.2047 12.2150 12.2156 12.8085 12.8093 13.0810 13.0928 13.5381 13.5494 k =-0.4656 0.3643-0.0000 ( 4272 PWs) bands (ev): -13.1596 -13.1596 -12.9407 -12.9407 -11.5896 -11.5896 -9.2051 -9.2008 -8.9463 -8.9450 -8.8118 -8.8058 -3.5369 -3.5366 -1.8142 -1.8123 -1.4502 -1.4488 -0.9969 -0.9968 -0.6583 -0.6571 -0.5756 -0.5673 0.1467 0.1561 1.0111 1.0124 2.0511 2.0520 2.5132 2.5197 2.5963 2.6023 2.7961 2.8027 2.8883 2.8951 3.4318 3.4341 3.6323 3.6338 4.5472 4.5491 4.9151 4.9177 5.1284 5.1312 12.2069 12.2071 12.2220 12.2226 12.8399 12.8403 13.0481 13.0616 13.5924 13.6049 k =-0.4570 0.3783-0.0000 ( 4272 PWs) bands (ev): -13.1612 -13.1612 -12.9413 -12.9413 -11.5810 -11.5809 -9.2443 -9.2399 -8.9415 -8.9399 -8.7860 -8.7795 -3.5327 -3.5322 -1.8243 -1.8221 -1.4030 -1.4013 -1.0051 -1.0049 -0.6717 -0.6701 -0.6316 -0.6229 0.1963 0.2066 1.0128 1.0144 2.0527 2.0538 2.5166 2.5245 2.5781 2.5854 2.7992 2.8071 2.8798 2.8881 3.4401 3.4431 3.6303 3.6322 4.5573 4.5597 4.8903 4.8933 5.1209 5.1241 12.2106 12.2109 12.2310 12.2315 12.8757 12.8765 13.0184 13.0337 13.6529 13.6660 k =-0.4484 0.3922-0.0000 ( 4278 PWs) bands (ev): -13.1632 -13.1632 -12.9419 -12.9419 -11.5704 -11.5703 -9.2860 -9.2816 -8.9357 -8.9338 -8.7605 -8.7535 -3.5276 -3.5270 -1.8317 -1.8291 -1.3507 -1.3486 -1.0151 -1.0149 -0.6937 -0.6856 -0.6850 -0.6821 0.2484 0.2593 1.0146 1.0164 2.0549 2.0562 2.5207 2.5297 2.5562 2.5645 2.8034 2.8125 2.8699 2.8795 3.4503 3.4540 3.6279 3.6304 4.5695 4.5723 4.8615 4.8647 5.1115 5.1149 12.2156 12.2163 12.2419 12.2423 12.9066 12.9090 13.0021 13.0191 13.7176 13.7309 k =-0.4398 0.4061-0.0000 ( 4268 PWs) bands (ev): -13.1656 -13.1655 -12.9426 -12.9426 -11.5579 -11.5578 -9.3294 -9.3251 -8.9288 -8.9267 -8.7358 -8.7285 -3.5217 -3.5210 -1.8356 -1.8327 -1.2943 -1.2916 -1.0268 -1.0266 -0.7534 -0.7436 -0.7051 -0.7035 0.3017 0.3131 1.0161 1.0183 2.0578 2.0592 2.5244 2.5312 2.5348 2.5399 2.8090 2.8191 2.8586 2.8693 3.4622 3.4668 3.6253 3.6283 4.5838 4.5870 4.8291 4.8324 5.1000 5.1036 12.2223 12.2235 12.2546 12.2550 12.9142 12.9143 13.0224 13.0369 13.7568 13.7588 k =-0.4312 0.4200-0.0000 ( 4272 PWs) bands (ev): -13.1684 -13.1683 -12.9434 -12.9433 -11.5435 -11.5434 -9.3742 -9.3700 -8.9210 -8.9185 -8.7125 -8.7049 -3.5149 -3.5142 -1.8359 -1.8327 -1.2344 -1.2312 -1.0402 -1.0399 -0.8156 -0.8059 -0.7256 -0.7237 0.3554 0.3670 1.0173 1.0197 2.0616 2.0631 2.5002 2.5104 2.5306 2.5409 2.8160 2.8269 2.8460 2.8577 3.4756 3.4812 3.6224 3.6262 4.6000 4.6037 4.7935 4.7969 5.0865 5.0902 12.2305 12.2324 12.2690 12.2694 12.8980 12.9006 13.0739 13.0851 13.7260 13.7286 k =-0.4226 0.4340-0.0000 ( 4260 PWs) bands (ev): -13.1716 -13.1715 -12.9442 -12.9441 -11.5272 -11.5270 -9.4199 -9.4158 -8.9121 -8.9094 -8.6909 -8.6830 -3.5075 -3.5067 -1.8324 -1.8289 -1.1725 -1.1685 -1.0552 -1.0550 -0.8771 -0.8677 -0.7481 -0.7458 0.4088 0.4206 1.0178 1.0204 2.0663 2.0679 2.4668 2.4776 2.5356 2.5464 2.8240 2.8329 2.8360 2.8447 3.4905 3.4973 3.6194 3.6241 4.6181 4.6222 4.7552 4.7587 5.0711 5.0749 12.2400 12.2428 12.2851 12.2855 12.8785 12.8820 13.1381 13.1477 13.6843 13.6872 k =-0.4140 0.4479-0.0000 ( 4258 PWs) bands (ev): -13.1752 -13.1751 -12.9450 -12.9450 -11.5090 -11.5088 -9.4662 -9.4623 -8.9023 -8.8993 -8.6710 -8.6630 -3.4995 -3.4986 -1.8251 -1.8213 -1.1124 -1.1068 -1.0715 -1.0715 -0.9341 -0.9256 -0.7724 -0.7698 0.4615 0.4735 1.0174 1.0202 2.0722 2.0738 2.4297 2.4409 2.5408 2.5516 2.8165 2.8303 2.8358 2.8465 3.5066 3.5150 3.6163 3.6223 4.6379 4.6424 4.7148 4.7182 5.0539 5.0577 12.2504 12.2542 12.3028 12.3032 12.8617 12.8649 13.2093 13.2180 13.6361 13.6390 k =-0.4054 0.4618-0.0000 ( 4258 PWs) bands (ev): -13.1793 -13.1792 -12.9458 -12.9458 -11.4889 -11.4887 -9.5129 -9.5092 -8.8916 -8.8883 -8.6531 -8.6449 -3.4909 -3.4899 -1.8142 -1.8101 -1.0916 -1.0899 -1.0717 -1.0643 -0.9660 -0.9607 -0.7983 -0.7953 0.5133 0.5254 1.0158 1.0188 2.0792 2.0809 2.3890 2.4005 2.5459 2.5566 2.8006 2.8147 2.8475 2.8584 3.5234 3.5339 3.6135 3.6212 4.6591 4.6641 4.6725 4.6760 5.0352 5.0390 12.2612 12.2661 12.3218 12.3222 12.8494 12.8519 13.2856 13.2938 13.5843 13.5873 k =-0.3968 0.4758-0.0000 ( 4262 PWs) bands (ev): -13.1838 -13.1837 -12.9466 -12.9466 -11.4670 -11.4668 -9.5599 -9.5563 -8.8800 -8.8764 -8.6373 -8.6289 -3.4818 -3.4808 -1.7998 -1.7955 -1.1112 -1.1093 -1.0978 -1.0883 -0.9295 -0.9260 -0.8256 -0.8224 0.5639 0.5761 1.0128 1.0160 2.0876 2.0893 2.3448 2.3565 2.5510 2.5612 2.7836 2.7981 2.8610 2.8715 3.5401 3.5535 3.6114 3.6217 4.6287 4.6318 4.6824 4.6874 5.0152 5.0188 12.2717 12.2779 12.3420 12.3424 12.8428 12.8442 13.3660 13.3740 13.5306 13.5336 k =-0.3882 0.4897-0.0000 ( 4268 PWs) bands (ev): -13.1888 -13.1887 -12.9474 -12.9474 -11.4432 -11.4430 -9.6070 -9.6035 -8.8676 -8.8636 -8.6235 -8.6150 -3.4725 -3.4713 -1.7826 -1.7781 -1.1533 -1.1418 -1.1301 -1.1301 -0.8624 -0.8579 -0.8534 -0.8507 0.6132 0.6254 1.0081 1.0115 2.0975 2.0992 2.2972 2.3090 2.5560 2.5655 2.7656 2.7804 2.8761 2.8859 3.5551 3.5720 3.6119 3.6254 4.5840 4.5870 4.7065 4.7119 4.9939 4.9975 12.2813 12.2888 12.3633 12.3637 12.8427 12.8428 13.4498 13.4576 13.4759 13.4789 k =-0.3796 0.5036-0.0000 ( 4274 PWs) bands (ev): -13.1943 -13.1942 -12.9481 -12.9481 -11.4176 -11.4174 -9.6539 -9.6506 -8.8543 -8.8501 -8.6117 -8.6031 -3.4628 -3.4617 -1.7633 -1.7587 -1.2095 -1.1985 -1.1525 -1.1520 -0.8841 -0.8801 -0.7860 -0.7819 0.6611 0.6734 1.0016 1.0051 2.1089 2.1106 2.2465 2.2584 2.5610 2.5696 2.7467 2.7617 2.8924 2.9015 3.5662 3.5840 3.6204 3.6345 4.5385 4.5414 4.7320 4.7376 4.9718 4.9753 12.2894 12.2981 12.3854 12.3858 12.8485 12.8497 13.4201 13.4230 13.5368 13.5444 k =-0.3710 0.5176-0.0000 ( 4280 PWs) bands (ev): -13.2003 -13.2002 -12.9487 -12.9487 -11.3902 -11.3899 -9.7007 -9.6976 -8.8404 -8.8359 -8.6020 -8.5934 -3.4532 -3.4519 -1.7433 -1.7386 -1.2641 -1.2531 -1.1755 -1.1748 -0.9148 -0.9105 -0.7069 -0.7023 0.7077 0.7200 0.9930 0.9966 2.1219 2.1236 2.1929 2.2047 2.5659 2.5735 2.7270 2.7421 2.9099 2.9180 3.5721 3.5868 3.6397 3.6502 4.4926 4.4953 4.7584 4.7644 4.9490 4.9523 12.2954 12.3053 12.4081 12.4085 12.8617 12.8642 13.3640 13.3668 13.6258 13.6334 k =-0.3624 0.5315-0.0000 ( 4283 PWs) bands (ev): -13.2068 -13.2066 -12.9493 -12.9493 -11.3609 -11.3606 -9.7471 -9.7441 -8.8257 -8.8209 -8.5944 -8.5856 -3.4435 -3.4422 -1.7247 -1.7200 -1.3135 -1.3026 -1.1994 -1.1985 -0.9463 -0.9418 -0.6253 -0.6203 0.7529 0.7651 0.9822 0.9858 2.1362 2.1363 2.1387 2.1488 2.5709 2.5775 2.7064 2.7217 2.9283 2.9353 3.5741 3.5856 3.6646 3.6715 4.4466 4.4492 4.7858 4.7920 4.9256 4.9289 12.2992 12.3100 12.4310 12.4315 12.8826 12.8863 13.3076 13.3103 13.7168 13.7243 k =-0.3538 0.5454-0.0000 ( 4285 PWs) bands (ev): -13.2137 -13.2136 -12.9498 -12.9497 -11.3299 -11.3296 -9.7931 -9.7903 -8.8104 -8.8054 -8.5887 -8.5799 -3.4341 -3.4327 -1.7112 -1.7066 -1.3539 -1.3429 -1.2239 -1.2229 -0.9785 -0.9736 -0.5418 -0.5364 0.7967 0.8089 0.9690 0.9727 2.0777 2.0890 2.1536 2.1550 2.5760 2.5815 2.6852 2.7005 2.9473 2.9532 3.5739 3.5832 3.6921 3.6964 4.4008 4.4032 4.8139 4.8203 4.9020 4.9051 12.3008 12.3123 12.4539 12.4544 12.9110 12.9157 13.2510 13.2536 13.8091 13.8166 k =-0.3452 0.5594-0.0000 ( 4273 PWs) bands (ev): -13.2211 -13.2210 -12.9501 -12.9501 -11.2971 -11.2968 -9.8386 -9.8359 -8.7946 -8.7893 -8.5849 -8.5760 -3.4250 -3.4236 -1.7081 -1.7034 -1.3800 -1.3690 -1.2489 -1.2479 -1.0111 -1.0060 -0.4568 -0.4510 0.8392 0.8514 0.9533 0.9570 2.0166 2.0278 2.1721 2.1735 2.5813 2.5857 2.6632 2.6786 2.9667 2.9715 3.5727 3.5806 3.7214 3.7240 4.3555 4.3577 4.8426 4.8492 4.8783 4.8813 12.3005 12.3124 12.4763 12.4769 12.9465 12.9519 13.1944 13.1968 13.8967 13.8977 k =-0.3452 0.5594-0.0000 ( 4273 PWs) bands (ev): -13.2211 -13.2210 -12.9501 -12.9501 -11.2971 -11.2968 -9.8386 -9.8359 -8.7946 -8.7893 -8.5849 -8.5760 -3.4250 -3.4236 -1.7081 -1.7034 -1.3800 -1.3690 -1.2489 -1.2479 -1.0111 -1.0060 -0.4568 -0.4510 0.8392 0.8514 0.9533 0.9570 2.0166 2.0278 2.1721 2.1735 2.5813 2.5857 2.6632 2.6786 2.9667 2.9715 3.5727 3.5806 3.7214 3.7240 4.3555 4.3577 4.8426 4.8492 4.8783 4.8813 12.3005 12.3124 12.4763 12.4769 12.9465 12.9519 13.1944 13.1968 13.8967 13.8977 k =-0.3452 0.5594 0.0163 ( 4279 PWs) bands (ev): -13.2209 -13.2208 -12.9502 -12.9502 -11.2962 -11.2958 -9.8381 -9.8354 -8.7970 -8.7917 -8.5858 -8.5770 -3.4224 -3.4210 -1.7191 -1.7143 -1.3663 -1.3555 -1.2490 -1.2480 -1.0101 -1.0049 -0.4608 -0.4550 0.8414 0.8535 0.9539 0.9576 2.0145 2.0256 2.1715 2.1729 2.5810 2.5853 2.6626 2.6779 2.9688 2.9736 3.5721 3.5799 3.7226 3.7251 4.3553 4.3575 4.8423 4.8489 4.8777 4.8807 12.2973 12.3092 12.4748 12.4755 12.9485 12.9538 13.1896 13.1920 13.8933 13.8942 k =-0.3452 0.5594 0.0326 ( 4284 PWs) bands (ev): -13.2203 -13.2202 -12.9505 -12.9505 -11.2932 -11.2929 -9.8365 -9.8338 -8.8041 -8.7988 -8.5886 -8.5798 -3.4145 -3.4132 -1.7477 -1.7427 -1.3296 -1.3190 -1.2494 -1.2485 -1.0070 -1.0018 -0.4727 -0.4671 0.8478 0.8597 0.9556 0.9593 2.0082 2.0190 2.1698 2.1712 2.5803 2.5844 2.6609 2.6758 2.9750 2.9796 3.5704 3.5781 3.7260 3.7284 4.3547 4.3569 4.8415 4.8481 4.8758 4.8788 12.2880 12.2998 12.4706 12.4712 12.9543 12.9592 13.1753 13.1777 13.8837 13.8847 k =-0.3452 0.5594 0.0489 ( 4282 PWs) bands (ev): -13.2194 -13.2192 -12.9511 -12.9511 -11.2884 -11.2880 -9.8338 -9.8312 -8.8159 -8.8106 -8.5932 -8.5845 -3.4016 -3.4003 -1.7862 -1.7809 -1.2780 -1.2675 -1.2501 -1.2493 -1.0017 -0.9965 -0.4921 -0.4868 0.8580 0.8696 0.9584 0.9621 1.9977 2.0081 2.1670 2.1683 2.5793 2.5830 2.6579 2.6723 2.9849 2.9893 3.5676 3.5752 3.7315 3.7338 4.3538 4.3560 4.8402 4.8467 4.8727 4.8757 12.2735 12.2850 12.4636 12.4643 12.9635 12.9679 13.1518 13.1541 13.8705 13.8715 k =-0.3452 0.5594 0.0652 ( 4288 PWs) bands (ev): -13.2180 -13.2179 -12.9518 -12.9518 -11.2816 -11.2812 -9.8301 -9.8275 -8.8322 -8.8270 -8.5997 -8.5910 -3.3836 -3.3824 -1.8287 -1.8234 -1.2521 -1.2509 -1.2164 -1.2065 -0.9940 -0.9888 -0.5184 -0.5134 0.8716 0.8826 0.9623 0.9661 1.9833 1.9931 2.1629 2.1643 2.5784 2.5817 2.6535 2.6672 2.9983 3.0025 3.5641 3.5714 3.7388 3.7409 4.3526 4.3547 4.8383 4.8448 4.8683 4.8713 12.2548 12.2661 12.4541 12.4547 12.9755 12.9791 13.1196 13.1218 13.8561 13.8572 k =-0.3452 0.5594 0.0816 ( 4294 PWs) bands (ev): -13.2162 -13.2161 -12.9528 -12.9528 -11.2728 -11.2725 -9.8254 -9.8228 -8.8530 -8.8479 -8.6079 -8.5994 -3.3608 -3.3597 -1.8722 -1.8669 -1.2544 -1.2533 -1.1493 -1.1393 -0.9835 -0.9784 -0.5509 -0.5464 0.8877 0.8982 0.9674 0.9712 1.9650 1.9741 2.1578 2.1590 2.5779 2.5808 2.6476 2.6604 3.0148 3.0187 3.5599 3.5669 3.7477 3.7497 4.3510 4.3531 4.8358 4.8422 4.8627 4.8656 12.2335 12.2445 12.4421 12.4428 12.9896 12.9925 13.0797 13.0818 13.8421 13.8432 k =-0.3452 0.5594 0.0979 ( 4292 PWs) bands (ev): -13.2141 -13.2140 -12.9540 -12.9539 -11.2622 -11.2618 -9.8196 -9.8170 -8.8780 -8.8730 -8.6179 -8.6095 -3.3334 -3.3324 -1.9149 -1.9097 -1.2579 -1.2569 -1.0777 -1.0677 -0.9701 -0.9650 -0.5889 -0.5848 0.9055 0.9154 0.9736 0.9774 1.9432 1.9515 2.1515 2.1527 2.5783 2.5806 2.6399 2.6518 3.0339 3.0376 3.5553 3.5621 3.7579 3.7598 4.3491 4.3512 4.8326 4.8389 4.8558 4.8587 12.2107 12.2215 12.4279 12.4286 13.0053 13.0075 13.0337 13.0356 13.8293 13.8303 k =-0.3452 0.5594 0.1142 ( 4289 PWs) bands (ev): -13.2116 -13.2115 -12.9553 -12.9553 -11.2496 -11.2493 -9.8127 -9.8102 -8.9070 -8.9021 -8.6297 -8.6214 -3.3017 -3.3009 -1.9560 -1.9509 -1.2628 -1.2619 -1.0031 -0.9929 -0.9534 -0.9485 -0.6315 -0.6279 0.9245 0.9337 0.9809 0.9848 1.9180 1.9254 2.1442 2.1453 2.5797 2.5815 2.6303 2.6411 3.0553 3.0587 3.5504 3.5569 3.7692 3.7711 4.3469 4.3489 4.8287 4.8349 4.8477 4.8505 12.1877 12.1983 12.4116 12.4122 12.9826 12.9845 13.0229 13.0241 13.8175 13.8185 k =-0.3452 0.5594 0.1305 ( 4291 PWs) bands (ev): -13.2087 -13.2086 -12.9569 -12.9569 -11.2350 -11.2348 -9.8048 -9.8023 -8.9399 -8.9351 -8.6431 -8.6349 -3.2660 -3.2653 -1.9948 -1.9899 -1.2692 -1.2684 -0.9353 -0.9286 -0.9243 -0.9158 -0.6778 -0.6746 0.9438 0.9523 0.9893 0.9933 1.8897 1.8962 2.1360 2.1371 2.5824 2.5837 2.6187 2.6283 3.0785 3.0816 3.5452 3.5515 3.7816 3.7835 4.3445 4.3465 4.8240 4.8301 4.8383 4.8411 12.1656 12.1761 12.3930 12.3937 12.9293 12.9310 13.0410 13.0415 13.8065 13.8074 k =-0.3452 0.5594 0.1468 ( 4297 PWs) bands (ev): -13.2055 -13.2054 -12.9588 -12.9588 -11.2186 -11.2184 -9.7958 -9.7934 -8.9764 -8.9717 -8.6581 -8.6501 -3.2266 -3.2260 -2.0311 -2.0263 -1.2774 -1.2765 -0.9106 -0.9052 -0.8477 -0.8381 -0.7261 -0.7232 0.9629 0.9707 0.9988 1.0030 1.8586 1.8641 2.1271 2.1282 2.5863 2.5870 2.6049 2.6132 3.1032 3.1061 3.5399 3.5460 3.7947 3.7966 4.3419 4.3438 4.8185 4.8243 4.8277 4.8306 12.1453 12.1558 12.3722 12.3728 12.8753 12.8768 13.0598 13.0600 13.7955 13.7963 k =-0.3452 0.5594 0.1631 ( 4298 PWs) bands (ev): -13.2019 -13.2018 -12.9608 -12.9608 -11.2003 -11.2001 -9.7859 -9.7835 -9.0161 -9.0116 -8.6747 -8.6669 -3.1838 -3.1833 -2.0646 -2.0600 -1.2873 -1.2865 -0.8835 -0.8783 -0.7957 -0.7912 -0.7496 -0.7420 0.9812 0.9883 1.0095 1.0137 1.8248 1.8294 2.1177 2.1188 2.5870 2.5903 2.5933 2.5968 3.1292 3.1318 3.5346 3.5405 3.8086 3.8105 4.3392 4.3410 4.8121 4.8159 4.8168 4.8197 12.1277 12.1381 12.3489 12.3495 12.8227 12.8240 13.0790 13.0799 13.7838 13.7844 k =-0.3452 0.5594 0.1794 ( 4296 PWs) bands (ev): -13.1981 -13.1979 -12.9631 -12.9631 -11.1801 -11.1799 -9.7748 -9.7726 -9.0590 -9.0546 -8.6928 -8.6852 -3.1379 -3.1377 -2.0951 -2.0907 -1.2990 -1.2982 -0.8532 -0.8479 -0.8399 -0.8381 -0.6773 -0.6677 0.9982 1.0046 1.0213 1.0256 1.7887 1.7923 2.1082 2.1094 2.5690 2.5747 2.5982 2.5984 3.1561 3.1585 3.5293 3.5350 3.8230 3.8251 4.3363 4.3381 4.8029 4.8046 4.8049 4.8110 12.1132 12.1237 12.3228 12.3234 12.7734 12.7745 13.0988 13.1004 13.7706 13.7712 k =-0.3452 0.5594 0.1957 ( 4300 PWs) bands (ev): -13.1939 -13.1937 -12.9655 -12.9655 -11.1580 -11.1579 -9.7628 -9.7606 -9.1046 -9.1004 -8.7123 -8.7049 -3.0895 -3.0894 -2.1225 -2.1184 -1.3124 -1.3116 -0.8960 -0.8942 -0.8183 -0.8135 -0.5949 -0.5851 1.0138 1.0195 1.0341 1.0386 1.7503 1.7530 2.0989 2.1000 2.5474 2.5519 2.6048 2.6053 3.1836 3.1858 3.5240 3.5296 3.8381 3.8403 4.3335 4.3352 4.7888 4.7909 4.7961 4.8021 12.1026 12.1130 12.2938 12.2944 12.7291 12.7300 13.1192 13.1214 13.7554 13.7559 k =-0.3452 0.5594 0.2120 ( 4300 PWs) bands (ev): -13.1894 -13.1892 -12.9682 -12.9682 -11.1341 -11.1340 -9.7497 -9.7476 -9.1528 -9.1487 -8.7331 -8.7260 -3.0388 -3.0387 -2.1468 -2.1429 -1.3277 -1.3269 -0.9534 -0.9520 -0.7804 -0.7758 -0.5111 -0.5013 1.0275 1.0325 1.0480 1.0526 1.7100 1.7118 2.0900 2.0912 2.5230 2.5262 2.6120 2.6128 3.2115 3.2135 3.5189 3.5243 3.8536 3.8560 4.3307 4.3324 4.7737 4.7757 4.7864 4.7923 12.0960 12.1065 12.2620 12.2624 12.6910 12.6917 13.1400 13.1428 13.7375 13.7379 k =-0.3452 0.5594 0.2284 ( 4300 PWs) bands (ev): -13.1846 -13.1845 -12.9712 -12.9712 -11.1083 -11.1082 -9.7356 -9.7336 -9.2032 -9.1993 -8.7552 -8.7484 -2.9863 -2.9861 -2.1679 -2.1643 -1.3447 -1.3439 -1.0119 -1.0108 -0.7390 -0.7346 -0.4268 -0.4170 1.0393 1.0436 1.0629 1.0677 1.6680 1.6689 2.0820 2.0833 2.4959 2.4978 2.6194 2.6205 3.2395 3.2414 3.5140 3.5192 3.8697 3.8722 4.3281 4.3297 4.7576 4.7595 4.7756 4.7813 12.0938 12.1044 12.2277 12.2280 12.6598 12.6604 13.1608 13.1643 13.7164 13.7168 k =-0.3452 0.5594 0.2447 ( 4299 PWs) bands (ev): -13.1796 -13.1794 -12.9743 -12.9743 -11.0807 -11.0807 -9.7204 -9.7186 -9.2556 -9.2518 -8.7786 -8.7720 -2.9322 -2.9318 -2.1858 -2.1825 -1.3634 -1.3626 -1.0710 -1.0702 -0.6941 -0.6899 -0.3425 -0.3327 1.0488 1.0526 1.0788 1.0837 1.6244 1.6244 2.0751 2.0766 2.4660 2.4666 2.6265 2.6279 3.2673 3.2691 3.5094 3.5144 3.8863 3.8890 4.3257 4.3273 4.7405 4.7423 4.7634 4.7690 12.0963 12.1069 12.1920 12.1921 12.6356 12.6361 13.1815 13.1856 13.6916 13.6919 k =-0.3452 0.5594 0.2610 ( 4295 PWs) bands (ev): -13.1743 -13.1741 -12.9777 -12.9777 -11.0513 -11.0513 -9.7043 -9.7026 -9.3098 -9.3062 -8.8030 -8.7967 -2.8769 -2.8763 -2.2005 -2.1974 -1.3837 -1.3830 -1.1303 -1.1298 -0.6458 -0.6418 -0.2585 -0.2487 1.0562 1.0593 1.0955 1.1006 1.5787 1.5794 2.0699 2.0715 2.4327 2.4333 2.6330 2.6346 3.2947 3.2962 3.5051 3.5100 3.9035 3.9063 4.3236 4.3252 4.7227 4.7244 4.7500 4.7554 12.1034 12.1140 12.1558 12.1560 12.6179 12.6184 13.2015 13.2062 13.6624 13.6628 k =-0.3452 0.5594 0.2773 ( 4291 PWs) bands (ev): -13.1688 -13.1686 -12.9813 -12.9812 -11.0202 -11.0201 -9.6872 -9.6856 -9.3654 -9.3620 -8.8284 -8.8223 -2.8206 -2.8199 -2.2120 -2.2092 -1.4058 -1.4051 -1.1896 -1.1893 -0.5942 -0.5904 -0.1752 -0.1655 1.0611 1.0636 1.1130 1.1181 1.5321 1.5333 2.0665 2.0682 2.3961 2.3979 2.6384 2.6403 3.3212 3.3226 3.5013 3.5060 3.9213 3.9243 4.3220 4.3235 4.7042 4.7057 4.7352 4.7404 12.1151 12.1199 12.1207 12.1270 12.6062 12.6067 13.2203 13.2257 13.6282 13.6287 k =-0.3452 0.5594 0.2936 ( 4279 PWs) bands (ev): -13.1630 -13.1629 -12.9851 -12.9850 -10.9873 -10.9872 -9.6692 -9.6677 -9.4224 -9.4191 -8.8547 -8.8490 -2.7637 -2.7629 -2.2203 -2.2177 -1.4294 -1.4288 -1.2486 -1.2485 -0.5394 -0.5359 -0.0930 -0.0834 1.0638 1.0657 1.1309 1.1360 1.4848 1.4866 2.0653 2.0672 2.3571 2.3601 2.6423 2.6444 3.3466 3.3479 3.4981 3.5026 3.9399 3.9430 4.3209 4.3224 4.6850 4.6864 4.7190 4.7241 12.0874 12.0879 12.1320 12.1429 12.5997 12.6002 13.2371 13.2432 13.5883 13.5889 k =-0.3452 0.5594 0.3099 ( 4283 PWs) bands (ev): -13.1571 -13.1570 -12.9891 -12.9890 -10.9527 -10.9525 -9.6501 -9.6488 -9.4804 -9.4773 -8.8819 -8.8764 -2.7064 -2.7055 -2.2254 -2.2231 -1.4547 -1.4541 -1.3072 -1.3072 -0.4815 -0.4784 -0.0123 -0.0028 1.0640 1.0653 1.1484 1.1534 1.4379 1.4399 2.0666 2.0687 2.3157 2.3198 2.6443 2.6465 3.3705 3.3716 3.4955 3.4999 3.9593 3.9625 4.3203 4.3218 4.6655 4.6666 4.7014 4.7064 12.0578 12.0587 12.1533 12.1642 12.5974 12.5979 13.2509 13.2576 13.5417 13.5427 k =-0.3452 0.5594 0.3262 ( 4283 PWs) bands (ev): -13.1510 -13.1509 -12.9933 -12.9933 -10.9164 -10.9161 -9.6302 -9.6290 -9.5392 -9.5363 -8.9098 -8.9046 -2.6490 -2.6480 -2.2274 -2.2253 -1.4815 -1.4810 -1.3652 -1.3650 -0.4208 -0.4181 0.0667 0.0760 1.0619 1.0627 1.1641 1.1686 1.3931 1.3949 2.0707 2.0729 2.2722 2.2773 2.6441 2.6464 3.3925 3.3935 3.4938 3.4979 3.9796 3.9829 4.3205 4.3220 4.6455 4.6466 4.6825 4.6873 12.0327 12.0338 12.1791 12.1900 12.5985 12.5991 13.2605 13.2679 13.4881 13.4895 k =-0.3452 0.5594 0.3425 ( 4281 PWs) bands (ev): -13.1448 -13.1446 -12.9978 -12.9977 -10.8784 -10.8781 -9.6094 -9.6084 -9.5986 -9.5958 -8.9384 -8.9335 -2.5917 -2.5907 -2.2263 -2.2244 -1.5098 -1.5094 -1.4222 -1.4219 -0.3574 -0.3551 0.1434 0.1527 1.0575 1.0577 1.1743 1.1773 1.3546 1.3552 2.0778 2.0801 2.2267 2.2329 2.6413 2.6437 3.4124 3.4132 3.4931 3.4970 4.0009 4.0043 4.3214 4.3229 4.6254 4.6262 4.6621 4.6668 12.0127 12.0141 12.2093 12.2201 12.6022 12.6028 13.2647 13.2727 13.4275 13.4296 k =-0.3452 0.5594 0.3588 ( 4286 PWs) bands (ev): -13.1384 -13.1383 -13.0024 -13.0024 -10.8387 -10.8384 -9.6587 -9.6561 -9.5875 -9.5866 -8.9675 -8.9629 -2.5347 -2.5336 -2.2220 -2.2204 -1.5397 -1.5393 -1.4782 -1.4778 -0.2915 -0.2896 0.2177 0.2268 1.0504 1.0507 1.1712 1.1715 1.3286 1.3306 2.0879 2.0904 2.1797 2.1868 2.6356 2.6382 3.4297 3.4304 3.4935 3.4972 4.0234 4.0269 4.3232 4.3246 4.6052 4.6059 4.6405 4.6451 11.9985 12.0002 12.2436 12.2544 12.6072 12.6079 13.2621 13.2706 13.3615 13.3642 k =-0.3452 0.5594 0.3751 ( 4289 PWs) bands (ev): -13.1319 -13.1318 -13.0073 -13.0072 -10.7975 -10.7971 -9.7190 -9.7165 -9.5648 -9.5641 -8.9970 -8.9927 -2.4782 -2.4771 -2.2148 -2.2134 -1.5711 -1.5708 -1.5330 -1.5325 -0.2233 -0.2219 0.2893 0.2981 1.0408 1.0416 1.1444 1.1471 1.3228 1.3278 2.1013 2.1038 2.1314 2.1393 2.6269 2.6295 3.4442 3.4449 3.4953 3.4986 4.0472 4.0506 4.3258 4.3272 4.5851 4.5855 4.6175 4.6220 11.9906 11.9925 12.2818 12.2926 12.6122 12.6128 13.2518 13.2607 13.2928 13.2961 k =-0.3452 0.5594 0.3915 ( 4287 PWs) bands (ev): -13.1253 -13.1252 -13.0123 -13.0122 -10.7547 -10.7542 -9.7794 -9.7770 -9.5413 -9.5408 -9.0270 -9.0230 -2.4223 -2.4211 -2.2046 -2.2033 -1.6040 -1.6037 -1.5865 -1.5858 -0.1531 -0.1522 0.3577 0.3663 1.0290 1.0303 1.1007 1.1051 1.3346 1.3414 2.0819 2.0906 2.1181 2.1208 2.6150 2.6177 3.4559 3.4566 3.4983 3.5012 4.0721 4.0755 4.3294 4.3308 4.5651 4.5653 4.5934 4.5977 11.9892 11.9915 12.3237 12.3344 12.6150 12.6155 13.2254 13.2288 13.2334 13.2427 k =-0.3452 0.5594 0.4078 ( 4293 PWs) bands (ev): -13.1187 -13.1186 -13.0176 -13.0175 -10.7103 -10.7098 -9.8397 -9.8375 -9.5170 -9.5167 -9.0572 -9.0535 -2.3672 -2.3660 -2.1914 -2.1904 -1.6397 -1.6388 -1.6376 -1.6364 -0.0812 -0.0808 0.4229 0.4311 1.0148 1.0166 1.0480 1.0532 1.3563 1.3640 2.0318 2.0412 2.1379 2.1407 2.5998 2.6025 3.4650 3.4659 3.5022 3.5047 4.0982 4.1016 4.3340 4.3353 4.5454 4.5454 4.5681 4.5723 11.9947 11.9972 12.3689 12.3795 12.6129 12.6132 13.1637 13.1674 13.2067 13.2160 k =-0.3452 0.5594 0.4241 ( 4298 PWs) bands (ev): -13.1120 -13.1119 -13.0230 -13.0229 -10.6645 -10.6639 -9.8999 -9.8978 -9.4919 -9.4918 -9.0876 -9.0842 -2.3129 -2.3117 -2.1754 -2.1746 -1.6889 -1.6885 -1.6738 -1.6737 -0.0080 -0.0078 0.4845 0.4925 0.9897 0.9953 0.9987 1.0010 1.3833 1.3917 1.9814 1.9913 2.1609 2.1637 2.5814 2.5841 3.4722 3.4732 3.5063 3.5083 4.1254 4.1288 4.3396 4.3409 4.5259 4.5261 4.5417 4.5459 12.0070 12.0098 12.4171 12.4277 12.6024 12.6025 13.1128 13.1165 13.1725 13.1818 k =-0.3452 0.5594 0.4404 ( 4300 PWs) bands (ev): -13.1053 -13.1051 -13.0286 -13.0285 -10.6173 -10.6165 -9.9598 -9.9578 -9.4661 -9.4661 -9.1181 -9.1150 -2.2596 -2.2584 -2.1566 -2.1559 -1.7376 -1.7371 -1.7110 -1.7109 0.0659 0.0667 0.5426 0.5503 0.9284 0.9343 0.9799 0.9827 1.4139 1.4228 1.9310 1.9414 2.1867 2.1895 2.5598 2.5626 3.4784 3.4794 3.5099 3.5115 4.1536 4.1571 4.3463 4.3476 4.5068 4.5073 4.5143 4.5186 12.0263 12.0292 12.4680 12.4785 12.5801 12.5807 13.0771 13.0804 13.1317 13.1410 k =-0.3452 0.5594 0.4567 ( 4301 PWs) bands (ev): -13.0985 -13.0984 -13.0344 -13.0343 -10.5686 -10.5678 -10.0193 -10.0174 -9.4398 -9.4395 -9.1486 -9.1458 -2.2072 -2.2062 -2.1350 -2.1345 -1.7844 -1.7840 -1.7496 -1.7494 0.1406 0.1420 0.5970 0.6043 0.8643 0.8701 0.9589 0.9621 1.4472 1.4565 1.8809 1.8916 2.2151 2.2179 2.5353 2.5381 3.4839 3.4849 3.5124 3.5138 4.1827 4.1861 4.3541 4.3553 4.4861 4.4870 4.4892 4.4917 12.0522 12.0554 12.5206 12.5316 12.5456 12.5462 13.0585 13.0614 13.0857 13.0949 k =-0.3452 0.5594 0.4730 ( 4297 PWs) bands (ev): -13.0918 -13.0917 -13.0403 -13.0402 -10.5186 -10.5177 -10.0782 -10.0765 -9.4128 -9.4123 -9.1791 -9.1766 -2.1560 -2.1550 -2.1108 -2.1105 -1.8294 -1.8290 -1.7896 -1.7893 0.2158 0.2177 0.6478 0.6547 0.7980 0.8036 0.9355 0.9392 1.4827 1.4924 1.8315 1.8423 2.2457 2.2485 2.5080 2.5109 3.4891 3.4901 3.5138 3.5149 4.2126 4.2160 4.3630 4.3641 4.4571 4.4602 4.4716 4.4717 12.0848 12.0880 12.4981 12.5004 12.5769 12.5867 13.0347 13.0442 13.0569 13.0590 k =-0.3452 0.5594 0.4893 ( 4295 PWs) bands (ev): -13.0851 -13.0850 -13.0463 -13.0462 -10.4673 -10.4663 -10.1365 -10.1348 -9.3852 -9.3844 -9.2095 -9.2072 -2.1059 -2.1050 -2.0839 -2.0837 -1.8724 -1.8720 -1.8309 -1.8305 0.2911 0.2937 0.6949 0.7014 0.7298 0.7351 0.9097 0.9138 1.5203 1.5304 1.7828 1.7938 2.2780 2.2808 2.4785 2.4813 3.4941 3.4951 3.5138 3.5148 4.2430 4.2463 4.3729 4.3739 4.4274 4.4308 4.4546 4.4549 12.1235 12.1269 12.4443 12.4470 12.6336 12.6434 12.9812 12.9906 13.0678 13.0695 k =-0.3452 0.5594 0.5056 ( 4295 PWs) bands (ev): -13.0784 -13.0783 -13.0526 -13.0524 -10.4148 -10.4137 -10.1940 -10.1925 -9.3570 -9.3560 -9.2397 -9.2377 -2.0573 -2.0568 -2.0542 -2.0538 -1.9133 -1.9130 -1.8735 -1.8730 0.3663 0.3694 0.6595 0.6645 0.7387 0.7449 0.8813 0.8858 1.5599 1.5702 1.7353 1.7463 2.3115 2.3143 2.4470 2.4498 3.4988 3.4998 3.5125 3.5135 4.2737 4.2771 4.3839 4.3847 4.3974 4.4006 4.4385 4.4390 12.1679 12.1714 12.3866 12.3897 12.6915 12.7012 12.9252 12.9346 13.0888 13.0902 k =-0.3452 0.5594 0.5219 ( 4296 PWs) bands (ev): -13.0718 -13.0717 -13.0589 -13.0588 -10.3612 -10.3600 -10.2507 -10.2493 -9.3283 -9.3270 -9.2696 -9.2678 -2.0229 -2.0228 -2.0092 -2.0084 -1.9520 -1.9518 -1.9174 -1.9168 0.4410 0.4447 0.5879 0.5925 0.7790 0.7847 0.8501 0.8550 1.6013 1.6119 1.6891 1.7001 2.3457 2.3485 2.4140 2.4168 3.5032 3.5041 3.5102 3.5111 4.3047 4.3080 4.3665 4.3699 4.3961 4.3970 4.4234 4.4240 12.2175 12.2210 12.3282 12.3315 12.7501 12.7597 12.8675 12.8770 13.1171 13.1182 k =-0.3452 0.5594 0.5383 ( 4302 PWs) bands (ev): -13.0653 -13.0653 -13.0652 -13.0652 -10.3064 -10.3064 -10.3051 -10.3051 -9.2991 -9.2991 -9.2976 -9.2976 -1.9888 -1.9888 -1.9886 -1.9886 -1.9625 -1.9625 -1.9619 -1.9619 0.5150 0.5150 0.5192 0.5192 0.8161 0.8161 0.8214 0.8214 1.6444 1.6444 1.6552 1.6552 2.3801 2.3801 2.3829 2.3829 3.5071 3.5071 3.5080 3.5080 4.3356 4.3356 4.3390 4.3390 4.4092 4.4092 4.4100 4.4100 12.2713 12.2713 12.2747 12.2747 12.8090 12.8090 12.8185 12.8185 13.1507 13.1507 k =-0.3452 0.5594 0.5383 ( 4302 PWs) bands (ev): -13.0653 -13.0653 -13.0652 -13.0652 -10.3064 -10.3064 -10.3051 -10.3051 -9.2991 -9.2991 -9.2976 -9.2976 -1.9888 -1.9888 -1.9886 -1.9886 -1.9625 -1.9625 -1.9619 -1.9619 0.5150 0.5150 0.5192 0.5192 0.8161 0.8161 0.8214 0.8214 1.6444 1.6444 1.6552 1.6552 2.3801 2.3801 2.3829 2.3829 3.5071 3.5071 3.5080 3.5080 4.3356 4.3356 4.3390 4.3390 4.4092 4.4092 4.4100 4.4100 12.2713 12.2713 12.2747 12.2747 12.8090 12.8090 12.8185 12.8185 13.1507 13.1507 k =-0.3538 0.5454 0.5383 ( 4302 PWs) bands (ev): -13.0620 -13.0620 -13.0619 -13.0619 -10.3349 -10.3349 -10.3336 -10.3336 -9.2682 -9.2682 -9.2667 -9.2667 -2.0582 -2.0582 -2.0581 -2.0581 -1.9207 -1.9207 -1.9200 -1.9200 0.5268 0.5268 0.5309 0.5309 0.8235 0.8235 0.8285 0.8285 1.6540 1.6540 1.6646 1.6646 2.3913 2.3913 2.3940 2.3940 3.4967 3.4967 3.4977 3.4977 4.3082 4.3082 4.3116 4.3116 4.4382 4.4382 4.4390 4.4390 12.2238 12.2238 12.2272 12.2272 12.8066 12.8066 12.8157 12.8157 13.1805 13.1805 k =-0.3624 0.5315 0.5383 ( 4302 PWs) bands (ev): -13.0589 -13.0589 -13.0588 -13.0588 -10.3619 -10.3619 -10.3607 -10.3607 -9.2379 -9.2379 -9.2365 -9.2365 -2.1257 -2.1257 -2.1257 -2.1257 -1.8809 -1.8809 -1.8802 -1.8802 0.5372 0.5372 0.5413 0.5413 0.8307 0.8307 0.8354 0.8354 1.6640 1.6640 1.6743 1.6743 2.4036 2.4036 2.4061 2.4061 3.4855 3.4855 3.4867 3.4867 4.2822 4.2822 4.2856 4.2856 4.4678 4.4678 4.4686 4.4686 12.1758 12.1758 12.1791 12.1791 12.8035 12.8035 12.8122 12.8122 13.2119 13.2119 k =-0.3710 0.5176 0.5383 ( 4302 PWs) bands (ev): -13.0559 -13.0559 -13.0558 -13.0558 -10.3874 -10.3874 -10.3863 -10.3863 -9.2084 -9.2084 -9.2070 -9.2070 -2.1909 -2.1909 -2.1908 -2.1908 -1.8433 -1.8433 -1.8427 -1.8427 0.5464 0.5464 0.5503 0.5503 0.8378 0.8378 0.8421 0.8421 1.6742 1.6742 1.6841 1.6841 2.4167 2.4167 2.4190 2.4190 3.4736 3.4736 3.4748 3.4748 4.2578 4.2578 4.2612 4.2612 4.4976 4.4976 4.4984 4.4984 12.1282 12.1282 12.1314 12.1314 12.8004 12.8004 12.8085 12.8085 13.2442 13.2442 k =-0.3796 0.5036 0.5383 ( 4300 PWs) bands (ev): -13.0531 -13.0531 -13.0530 -13.0530 -10.4114 -10.4114 -10.4103 -10.4103 -9.1799 -9.1799 -9.1785 -9.1785 -2.2533 -2.2533 -2.2532 -2.2532 -1.8081 -1.8081 -1.8074 -1.8074 0.5544 0.5544 0.5582 0.5582 0.8445 0.8445 0.8486 0.8486 1.6843 1.6843 1.6938 1.6938 2.4306 2.4306 2.4327 2.4327 3.4609 3.4609 3.4623 3.4623 4.2350 4.2350 4.2383 4.2383 4.5275 4.5275 4.5283 4.5283 12.0816 12.0816 12.0847 12.0847 12.7977 12.7977 12.8054 12.8054 13.2765 13.2765 k =-0.3882 0.4897 0.5383 ( 4296 PWs) bands (ev): -13.0505 -13.0505 -13.0504 -13.0504 -10.4338 -10.4338 -10.4329 -10.4329 -9.1524 -9.1524 -9.1512 -9.1512 -2.3128 -2.3128 -2.3126 -2.3126 -1.7752 -1.7752 -1.7745 -1.7745 0.5615 0.5615 0.5651 0.5651 0.8510 0.8510 0.8548 0.8548 1.6942 1.6942 1.7032 1.7032 2.4449 2.4449 2.4469 2.4469 3.4478 3.4478 3.4492 3.4492 4.2139 4.2139 4.2172 4.2172 4.5571 4.5571 4.5579 4.5579 12.0367 12.0367 12.0396 12.0396 12.7959 12.7959 12.8031 12.8031 13.3082 13.3083 k =-0.3968 0.4758 0.5383 ( 4296 PWs) bands (ev): -13.0481 -13.0481 -13.0480 -13.0480 -10.4547 -10.4547 -10.4538 -10.4538 -9.1262 -9.1262 -9.1251 -9.1251 -2.3691 -2.3691 -2.3689 -2.3689 -1.7446 -1.7446 -1.7440 -1.7440 0.5676 0.5676 0.5710 0.5710 0.8572 0.8572 0.8607 0.8607 1.7038 1.7038 1.7123 1.7123 2.4596 2.4596 2.4614 2.4614 3.4343 3.4343 3.4356 3.4356 4.1945 4.1945 4.1976 4.1976 4.5862 4.5862 4.5870 4.5870 11.9938 11.9938 11.9965 11.9965 12.7953 12.7953 12.8020 12.8020 13.3389 13.3389 k =-0.4054 0.4618 0.5383 ( 4292 PWs) bands (ev): -13.0458 -13.0458 -13.0458 -13.0458 -10.4740 -10.4740 -10.4732 -10.4732 -9.1015 -9.1015 -9.1003 -9.1003 -2.4219 -2.4219 -2.4217 -2.4217 -1.7164 -1.7164 -1.7158 -1.7158 0.5730 0.5730 0.5761 0.5761 0.8631 0.8631 0.8663 0.8663 1.7130 1.7130 1.7209 1.7209 2.4744 2.4744 2.4760 2.4760 3.4205 3.4205 3.4218 3.4218 4.1768 4.1768 4.1798 4.1798 4.6145 4.6145 4.6152 4.6152 11.9533 11.9533 11.9559 11.9559 12.7963 12.7963 12.8025 12.8025 13.3681 13.3682 k =-0.4140 0.4479 0.5383 ( 4300 PWs) bands (ev): -13.0438 -13.0438 -13.0437 -13.0437 -10.4917 -10.4917 -10.4910 -10.4910 -9.0782 -9.0782 -9.0772 -9.0772 -2.4711 -2.4711 -2.4708 -2.4708 -1.6906 -1.6906 -1.6900 -1.6900 0.5776 0.5776 0.5805 0.5805 0.8686 0.8686 0.8714 0.8714 1.7216 1.7216 1.7290 1.7290 2.4890 2.4890 2.4906 2.4906 3.4067 3.4067 3.4080 3.4080 4.1609 4.1609 4.1636 4.1636 4.6416 4.6416 4.6422 4.6422 11.9156 11.9156 11.9179 11.9179 12.7989 12.7989 12.8047 12.8047 13.3957 13.3957 k =-0.4226 0.4340 0.5383 ( 4296 PWs) bands (ev): -13.0419 -13.0419 -13.0419 -13.0419 -10.5078 -10.5078 -10.5071 -10.5071 -9.0567 -9.0567 -9.0557 -9.0557 -2.5162 -2.5162 -2.5160 -2.5160 -1.6672 -1.6672 -1.6667 -1.6667 0.5816 0.5816 0.5843 0.5843 0.8737 0.8737 0.8762 0.8762 1.7296 1.7296 1.7363 1.7363 2.5034 2.5034 2.5048 2.5048 3.3931 3.3931 3.3943 3.3943 4.1466 4.1466 4.1491 4.1491 4.6673 4.6673 4.6679 4.6679 11.8809 11.8809 11.8830 11.8830 12.8033 12.8033 12.8085 12.8085 13.4211 13.4212 k =-0.4312 0.4200 0.5383 ( 4298 PWs) bands (ev): -13.0403 -13.0403 -13.0402 -13.0402 -10.5222 -10.5222 -10.5216 -10.5216 -9.0370 -9.0370 -9.0361 -9.0361 -2.5573 -2.5573 -2.5570 -2.5570 -1.6463 -1.6463 -1.6458 -1.6458 0.5850 0.5850 0.5874 0.5874 0.8784 0.8784 0.8806 0.8806 1.7370 1.7370 1.7430 1.7430 2.5172 2.5172 2.5184 2.5184 3.3799 3.3799 3.3810 3.3810 4.1339 4.1339 4.1362 4.1362 4.6912 4.6912 4.6917 4.6917 11.8493 11.8493 11.8512 11.8512 12.8093 12.8093 12.8140 12.8140 13.4444 13.4444 k =-0.4398 0.4061 0.5383 ( 4298 PWs) bands (ev): -13.0388 -13.0388 -13.0387 -13.0387 -10.5349 -10.5349 -10.5344 -10.5344 -9.0192 -9.0192 -9.0184 -9.0184 -2.5940 -2.5940 -2.5937 -2.5937 -1.6278 -1.6278 -1.6273 -1.6273 0.5879 0.5879 0.5901 0.5901 0.8826 0.8826 0.8845 0.8845 1.7435 1.7435 1.7489 1.7489 2.5302 2.5302 2.5312 2.5312 3.3674 3.3674 3.3684 3.3684 4.1229 4.1229 4.1250 4.1250 4.7131 4.7131 4.7135 4.7135 11.8211 11.8211 11.8227 11.8227 12.8167 12.8167 12.8209 12.8209 13.4653 13.4653 k =-0.4484 0.3922 0.5383 ( 4294 PWs) bands (ev): -13.0375 -13.0375 -13.0375 -13.0375 -10.5460 -10.5460 -10.5455 -10.5455 -9.0035 -9.0035 -9.0029 -9.0029 -2.6262 -2.6262 -2.6259 -2.6259 -1.6117 -1.6117 -1.6113 -1.6113 0.5904 0.5904 0.5923 0.5923 0.8863 0.8863 0.8880 0.8880 1.7494 1.7494 1.7540 1.7540 2.5421 2.5421 2.5430 2.5430 3.3558 3.3558 3.3567 3.3567 4.1134 4.1134 4.1153 4.1153 4.7326 4.7326 4.7330 4.7330 11.7964 11.7964 11.7978 11.7978 12.8251 12.8251 12.8287 12.8287 13.4836 13.4836 k =-0.4570 0.3783 0.5383 ( 4296 PWs) bands (ev): -13.0364 -13.0364 -13.0364 -13.0364 -10.5554 -10.5554 -10.5550 -10.5550 -8.9901 -8.9901 -8.9895 -8.9895 -2.6537 -2.6537 -2.6535 -2.6535 -1.5981 -1.5981 -1.5978 -1.5978 0.5925 0.5925 0.5941 0.5941 0.8895 0.8895 0.8909 0.8909 1.7544 1.7544 1.7583 1.7583 2.5528 2.5528 2.5535 2.5535 3.3455 3.3455 3.3462 3.3462 4.1056 4.1056 4.1071 4.1071 4.7496 4.7496 4.7499 4.7499 11.7753 11.7753 11.7765 11.7765 12.8340 12.8340 12.8371 12.8371 13.4993 13.4993 k =-0.4656 0.3643 0.5383 ( 4300 PWs) bands (ev): -13.0355 -13.0355 -13.0355 -13.0355 -10.5630 -10.5630 -10.5627 -10.5627 -8.9789 -8.9789 -8.9785 -8.9785 -2.6764 -2.6764 -2.6762 -2.6762 -1.5870 -1.5870 -1.5867 -1.5867 0.5942 0.5942 0.5955 0.5955 0.8922 0.8922 0.8933 0.8933 1.7586 1.7586 1.7617 1.7617 2.5619 2.5619 2.5625 2.5625 3.3366 3.3366 3.3372 3.3372 4.0992 4.0992 4.1004 4.1004 4.7638 4.7638 4.7641 4.7641 11.7579 11.7579 11.7589 11.7589 12.8429 12.8429 12.8454 12.8454 13.5122 13.5122 k =-0.4742 0.3504 0.5383 ( 4312 PWs) bands (ev): -13.0348 -13.0348 -13.0348 -13.0348 -10.5690 -10.5690 -10.5688 -10.5688 -8.9701 -8.9701 -8.9698 -8.9698 -2.6942 -2.6942 -2.6940 -2.6940 -1.5783 -1.5783 -1.5781 -1.5781 0.5955 0.5955 0.5965 0.5965 0.8943 0.8943 0.8952 0.8952 1.7619 1.7619 1.7643 1.7643 2.5693 2.5693 2.5697 2.5697 3.3294 3.3294 3.3299 3.3299 4.0943 4.0943 4.0952 4.0952 4.7751 4.7751 4.7753 4.7753 11.7443 11.7443 11.7451 11.7451 12.8509 12.8509 12.8528 12.8528 13.5223 13.5223 k =-0.4828 0.3365 0.5383 ( 4308 PWs) bands (ev): -13.0343 -13.0343 -13.0343 -13.0343 -10.5733 -10.5733 -10.5731 -10.5731 -8.9638 -8.9638 -8.9635 -8.9635 -2.7069 -2.7069 -2.7068 -2.7068 -1.5721 -1.5721 -1.5720 -1.5720 0.5965 0.5965 0.5971 0.5971 0.8959 0.8959 0.8965 0.8965 1.7645 1.7645 1.7660 1.7660 2.5747 2.5747 2.5750 2.5750 3.3241 3.3241 3.3245 3.3245 4.0909 4.0909 4.0915 4.0915 4.7833 4.7833 4.7834 4.7834 11.7347 11.7347 11.7351 11.7351 12.8574 12.8574 12.8587 12.8587 13.5295 13.5295 k =-0.4914 0.3225 0.5383 ( 4312 PWs) bands (ev): -13.0340 -13.0340 -13.0340 -13.0340 -10.5758 -10.5758 -10.5757 -10.5757 -8.9599 -8.9599 -8.9598 -8.9598 -2.7146 -2.7146 -2.7145 -2.7145 -1.5684 -1.5684 -1.5683 -1.5683 0.5971 0.5971 0.5975 0.5975 0.8969 0.8969 0.8972 0.8972 1.7661 1.7661 1.7669 1.7669 2.5781 2.5781 2.5782 2.5782 3.3209 3.3209 3.3211 3.3211 4.0889 4.0889 4.0892 4.0892 4.7882 4.7882 4.7883 4.7883 11.7289 11.7289 11.7291 11.7291 12.8618 12.8618 12.8624 12.8624 13.5339 13.5339 k =-0.5000 0.3086 0.5383 ( 4304 PWs) bands (ev): -13.0339 -13.0339 -13.0339 -13.0339 -10.5766 -10.5766 -10.5766 -10.5766 -8.9586 -8.9586 -8.9586 -8.9586 -2.7171 -2.7171 -2.7171 -2.7171 -1.5671 -1.5671 -1.5671 -1.5671 0.5975 0.5975 0.5975 0.5975 0.8973 0.8973 0.8973 0.8973 1.7670 1.7670 1.7670 1.7670 2.5792 2.5792 2.5792 2.5792 3.3199 3.3199 3.3199 3.3199 4.0883 4.0883 4.0883 4.0883 4.7899 4.7899 4.7899 4.7899 11.7270 11.7270 11.7270 11.7270 12.8635 12.8635 12.8635 12.8635 13.5354 13.5354 k =-0.5000 0.3086 0.5383 ( 4304 PWs) bands (ev): -13.0339 -13.0339 -13.0339 -13.0339 -10.5766 -10.5766 -10.5766 -10.5766 -8.9586 -8.9586 -8.9586 -8.9586 -2.7171 -2.7171 -2.7171 -2.7171 -1.5671 -1.5671 -1.5671 -1.5671 0.5975 0.5975 0.5975 0.5975 0.8973 0.8973 0.8973 0.8973 1.7670 1.7670 1.7670 1.7670 2.5792 2.5792 2.5792 2.5792 3.3199 3.3199 3.3199 3.3199 4.0883 4.0883 4.0883 4.0883 4.7899 4.7899 4.7899 4.7899 11.7270 11.7270 11.7270 11.7270 12.8635 12.8635 12.8635 12.8635 13.5354 13.5354 k =-0.5000 0.3086 0.5219 ( 4316 PWs) bands (ev): -13.0392 -13.0392 -13.0288 -13.0288 -10.6339 -10.6339 -10.5182 -10.5182 -8.9643 -8.9643 -8.9530 -8.9530 -2.7220 -2.7220 -2.7091 -2.7091 -1.6178 -1.6178 -1.5196 -1.5196 0.5131 0.5131 0.6830 0.6830 0.8913 0.8913 0.9010 0.9010 1.7377 1.7377 1.7982 1.7982 2.5773 2.5773 2.5786 2.5786 3.3057 3.3057 3.3323 3.3323 4.0613 4.0613 4.1159 4.1159 4.7896 4.7896 4.7912 4.7912 11.7284 11.7284 11.7334 11.7334 12.8562 12.8562 12.8673 12.8673 13.4911 13.4911 k =-0.5000 0.3086 0.5056 ( 4320 PWs) bands (ev): -13.0445 -13.0445 -13.0237 -13.0237 -10.6900 -10.6900 -10.4587 -10.4587 -8.9702 -8.9702 -8.9477 -8.9477 -2.7237 -2.7237 -2.6980 -2.6980 -1.6717 -1.6717 -1.4753 -1.4753 0.4306 0.4306 0.7687 0.7687 0.8828 0.8828 0.9024 0.9024 1.7109 1.7109 1.8308 1.8308 2.5728 2.5728 2.5756 2.5756 3.2896 3.2896 3.3430 3.3430 4.0352 4.0352 4.1439 4.1439 4.7902 4.7902 4.7933 4.7933 11.7373 11.7373 11.7478 11.7478 12.8459 12.8459 12.8671 12.8671 13.4467 13.4467 k =-0.5000 0.3086 0.4893 ( 4320 PWs) bands (ev): -13.0498 -13.0498 -13.0187 -13.0187 -10.7448 -10.7448 -10.3983 -10.3983 -8.9762 -8.9762 -8.9425 -8.9425 -2.7222 -2.7222 -2.6837 -2.6837 -1.7289 -1.7289 -1.4338 -1.4338 0.3505 0.3505 0.8535 0.8535 0.8717 0.8717 0.9015 0.9015 1.6875 1.6875 1.8646 1.8646 2.5656 2.5656 2.5704 2.5704 3.2716 3.2716 3.3524 3.3524 4.0101 4.0101 4.1720 4.1720 4.7919 4.7919 4.7962 4.7962 11.7534 11.7534 11.7703 11.7703 12.8333 12.8333 12.8625 12.8625 13.4027 13.4027 k =-0.5000 0.3086 0.4730 ( 4312 PWs) bands (ev): -13.0552 -13.0552 -13.0138 -13.0138 -10.7983 -10.7983 -10.3370 -10.3370 -8.9823 -8.9823 -8.9375 -8.9375 -2.7175 -2.7175 -2.6664 -2.6664 -1.7895 -1.7895 -1.3952 -1.3952 0.2733 0.2733 0.8576 0.8576 0.8985 0.8985 0.9359 0.9359 1.6687 1.6687 1.8993 1.8993 2.5557 2.5557 2.5634 2.5634 3.2516 3.2516 3.3605 3.3605 3.9862 3.9862 4.1999 4.1999 4.7946 4.7946 4.7999 4.7999 11.7762 11.7762 11.8009 11.8009 12.8190 12.8190 12.8531 12.8531 13.3596 13.3596 k =-0.5000 0.3086 0.4567 ( 4312 PWs) bands (ev): -13.0605 -13.0605 -13.0090 -13.0090 -10.8505 -10.8505 -10.2750 -10.2750 -8.9885 -8.9885 -8.9327 -8.9327 -2.7097 -2.7097 -2.6461 -2.6461 -1.8533 -1.8533 -1.3592 -1.3592 0.1994 0.1994 0.8406 0.8406 0.8933 0.8933 1.0133 1.0133 1.6564 1.6564 1.9347 1.9347 2.5431 2.5431 2.5547 2.5547 3.2298 3.2298 3.3676 3.3676 3.9635 3.9635 4.2274 4.2274 4.7984 4.7984 4.8043 4.8043 11.8050 11.8050 11.8396 11.8396 12.8034 12.8034 12.8389 12.8389 13.3181 13.3181 k =-0.5000 0.3086 0.4404 ( 4310 PWs) bands (ev): -13.0659 -13.0659 -13.0043 -13.0043 -10.9011 -10.9011 -10.2122 -10.2122 -8.9948 -8.9948 -8.9281 -8.9281 -2.6987 -2.6987 -2.6228 -2.6228 -1.9203 -1.9203 -1.3256 -1.3256 0.1289 0.1289 0.8205 0.8205 0.8859 0.8859 1.0830 1.0830 1.6532 1.6532 1.9705 1.9705 2.5279 2.5279 2.5448 2.5448 3.2064 3.2064 3.3740 3.3740 3.9421 3.9421 4.2542 4.2542 4.8033 4.8033 4.8093 4.8093 11.8393 11.8393 11.8862 11.8862 12.7871 12.7871 12.8202 12.8202 13.2789 13.2789 k =-0.5000 0.3086 0.4241 ( 4312 PWs) bands (ev): -13.0712 -13.0712 -12.9997 -12.9997 -10.9503 -10.9503 -10.1490 -10.1490 -9.0012 -9.0012 -8.9238 -8.9238 -2.6846 -2.6846 -2.5966 -2.5966 -1.9903 -1.9903 -1.2944 -1.2944 0.0621 0.0621 0.7970 0.7970 0.8763 0.8763 1.1410 1.1410 1.6625 1.6625 2.0067 2.0067 2.5101 2.5101 2.5340 2.5340 3.1819 3.1819 3.3797 3.3797 3.9218 3.9218 4.2801 4.2801 4.8094 4.8094 4.8150 4.8150 11.8781 11.8781 11.9406 11.9406 12.7703 12.7703 12.7973 12.7973 13.2429 13.2429 k =-0.5000 0.3086 0.4078 ( 4308 PWs) bands (ev): -13.0765 -13.0765 -12.9953 -12.9953 -10.9980 -10.9980 -10.0853 -10.0853 -9.0076 -9.0076 -8.9197 -8.9197 -2.6674 -2.6674 -2.5675 -2.5675 -2.0631 -2.0631 -1.2654 -1.2654 -0.0009 -0.0009 0.7699 0.7699 0.8643 0.8643 1.1841 1.1841 1.6873 1.6873 2.0430 2.0430 2.4899 2.4899 2.5228 2.5228 3.1565 3.1565 3.3849 3.3849 3.9025 3.9025 4.3050 4.3050 4.8166 4.8166 4.8211 4.8211 11.9203 11.9203 12.0025 12.0025 12.7536 12.7536 12.7708 12.7708 13.2109 13.2109 k =-0.5000 0.3086 0.3915 ( 4306 PWs) bands (ev): -13.0818 -13.0818 -12.9910 -12.9910 -11.0441 -11.0441 -10.0213 -10.0213 -9.0139 -9.0139 -8.9158 -8.9158 -2.6473 -2.6473 -2.5357 -2.5357 -2.1384 -2.1384 -1.2385 -1.2385 -0.0601 -0.0601 0.7392 0.7392 0.8499 0.8499 1.2110 1.2110 1.7285 1.7285 2.0793 2.0793 2.4675 2.4675 2.5115 2.5115 3.1306 3.1306 3.3897 3.3897 3.8843 3.8843 4.3287 4.3287 4.8249 4.8249 4.8277 4.8277 11.9649 11.9649 12.0716 12.0716 12.7364 12.7364 12.7422 12.7422 13.1840 13.1840 k =-0.5000 0.3086 0.3751 ( 4310 PWs) bands (ev): -13.0870 -13.0870 -12.9869 -12.9869 -11.0885 -11.0885 -9.9571 -9.9571 -9.0203 -9.0203 -8.9121 -8.9121 -2.6241 -2.6241 -2.5013 -2.5013 -2.2158 -2.2158 -1.2135 -1.2135 -0.1156 -0.1156 0.7048 0.7048 0.8330 0.8330 1.2235 1.2235 1.7839 1.7839 2.1155 2.1155 2.4431 2.4431 2.5006 2.5006 3.1047 3.1047 3.3941 3.3941 3.8668 3.8668 4.3511 4.3511 4.8340 4.8340 4.8352 4.8352 12.0104 12.0104 12.1476 12.1476 12.7088 12.7088 12.7224 12.7224 13.1632 13.1632 k =-0.5000 0.3086 0.3588 ( 4306 PWs) bands (ev): -13.0921 -13.0921 -12.9829 -12.9829 -11.1313 -11.1313 -9.8930 -9.8930 -9.0266 -9.0266 -8.9087 -8.9087 -2.5981 -2.5981 -2.4643 -2.4643 -2.2950 -2.2950 -1.1903 -1.1903 -0.1673 -0.1673 0.6665 0.6665 0.8133 0.8133 1.2250 1.2250 1.8497 1.8497 2.1515 2.1515 2.4171 2.4171 2.4903 2.4903 3.0790 3.0790 3.3982 3.3982 3.8501 3.8501 4.3721 4.3721 4.8417 4.8417 4.8455 4.8455 12.0553 12.0553 12.2300 12.2300 12.6757 12.6757 12.7074 12.7074 13.1500 13.1500 k =-0.5000 0.3086 0.3425 ( 4298 PWs) bands (ev): -13.0971 -13.0971 -12.9791 -12.9791 -11.1724 -11.1724 -9.8291 -9.8291 -9.0329 -9.0329 -8.9055 -8.9055 -2.5692 -2.5692 -2.4249 -2.4249 -2.3755 -2.3755 -1.1687 -1.1687 -0.2155 -0.2155 0.6245 0.6245 0.7909 0.7909 1.2192 1.2192 1.9219 1.9219 2.1871 2.1871 2.3899 2.3899 2.4810 2.4810 3.0539 3.0539 3.4020 3.4020 3.8341 3.8341 4.3916 4.3916 4.8493 4.8493 4.8573 4.8573 12.0979 12.0979 12.3184 12.3184 12.6415 12.6415 12.6938 12.6938 13.1454 13.1454 k =-0.5000 0.3086 0.3262 ( 4298 PWs) bands (ev): -13.1021 -13.1021 -12.9755 -12.9755 -11.2118 -11.2118 -9.7655 -9.7655 -9.0390 -9.0390 -8.9025 -8.9025 -2.5376 -2.5376 -2.4570 -2.4570 -2.3832 -2.3832 -1.1488 -1.1488 -0.2602 -0.2602 0.5787 0.5787 0.7656 0.7656 1.2088 1.2088 1.9975 1.9975 2.2221 2.2221 2.3619 2.3619 2.4730 2.4730 3.0296 3.0296 3.4055 3.4055 3.8185 3.8185 4.4096 4.4096 4.8571 4.8571 4.8703 4.8703 12.1366 12.1366 12.4123 12.4123 12.6069 12.6069 12.6816 12.6816 13.1509 13.1509 k =-0.5000 0.3086 0.3099 ( 4306 PWs) bands (ev): -13.1069 -13.1069 -12.9720 -12.9720 -11.2494 -11.2494 -9.7024 -9.7024 -9.0451 -9.0451 -8.8997 -8.8997 -2.5389 -2.5389 -2.5034 -2.5034 -2.3393 -2.3393 -1.1303 -1.1303 -0.3016 -0.3016 0.5294 0.5294 0.7372 0.7372 1.1956 1.1956 2.0743 2.0743 2.2565 2.2565 2.3334 2.3334 2.4663 2.4663 3.0063 3.0063 3.4087 3.4087 3.8035 3.8035 4.4260 4.4260 4.8650 4.8650 4.8844 4.8844 12.1700 12.1700 12.5110 12.5110 12.5723 12.5723 12.6709 12.6709 13.1673 13.1673 k =-0.5000 0.3086 0.2936 ( 4306 PWs) bands (ev): -13.1115 -13.1115 -12.9687 -12.9687 -11.2853 -11.2853 -9.6402 -9.6402 -9.0510 -9.0510 -8.8971 -8.8971 -2.6207 -2.6207 -2.4668 -2.4668 -2.2935 -2.2935 -1.1133 -1.1133 -0.3398 -0.3398 0.4767 0.4767 0.7058 0.7058 1.1808 1.1808 2.1507 2.1507 2.2899 2.2899 2.3052 2.3052 2.4612 2.4612 2.9842 2.9842 3.4116 3.4116 3.7888 3.7888 4.4410 4.4410 4.8729 4.8729 4.8994 4.8994 12.1971 12.1971 12.5379 12.5379 12.6142 12.6142 12.6620 12.6620 13.1950 13.1950 k =-0.5000 0.3086 0.2773 ( 4306 PWs) bands (ev): -13.1160 -13.1160 -12.9656 -12.9656 -11.3193 -11.3193 -9.5789 -9.5789 -9.0567 -9.0567 -8.8948 -8.8948 -2.7020 -2.7020 -2.4278 -2.4278 -2.2459 -2.2459 -1.0976 -1.0976 -0.3750 -0.3750 0.4209 0.4209 0.6713 0.6713 1.1653 1.1653 2.2257 2.2257 2.2769 2.2769 2.3232 2.3232 2.4576 2.4576 2.9632 2.9632 3.4141 3.4141 3.7747 3.7747 4.4544 4.4544 4.8808 4.8808 4.9153 4.9153 12.2177 12.2177 12.5045 12.5045 12.6548 12.6548 12.7208 12.7208 13.2338 13.2338 k =-0.5000 0.3086 0.2610 ( 4306 PWs) bands (ev): -13.1203 -13.1203 -12.9626 -12.9626 -11.3515 -11.3515 -9.5188 -9.5188 -9.0622 -9.0622 -8.8926 -8.8926 -2.7822 -2.7822 -2.3866 -2.3866 -2.1967 -2.1967 -1.0831 -1.0831 -0.4074 -0.4074 0.3623 0.3623 0.6339 0.6339 1.1496 1.1496 2.2498 2.2498 2.2982 2.2982 2.3551 2.3551 2.4556 2.4556 2.9435 2.9435 3.4163 3.4163 3.7609 3.7609 4.4664 4.4664 4.8886 4.8886 4.9320 4.9320 12.2320 12.2320 12.4722 12.4722 12.6497 12.6497 12.8302 12.8302 13.2827 13.2827 k =-0.5000 0.3086 0.2447 ( 4302 PWs) bands (ev): -13.1244 -13.1244 -12.9598 -12.9598 -11.3819 -11.3819 -9.4603 -9.4603 -9.0676 -9.0676 -8.8906 -8.8906 -2.8609 -2.8609 -2.3435 -2.3435 -2.1461 -2.1461 -1.0698 -1.0698 -0.4371 -0.4371 0.3014 0.3014 0.5936 0.5936 1.1341 1.1341 2.2240 2.2240 2.3665 2.3665 2.3874 2.3874 2.4552 2.4552 2.9251 2.9251 3.4181 3.4181 3.7476 3.7476 4.4771 4.4771 4.8964 4.8964 4.9493 4.9493 12.2408 12.2408 12.4412 12.4412 12.6466 12.6466 12.9414 12.9414 13.3404 13.3404 k =-0.5000 0.3086 0.2284 ( 4298 PWs) bands (ev): -13.1284 -13.1284 -12.9572 -12.9572 -11.4104 -11.4104 -9.4034 -9.4034 -9.0727 -9.0727 -8.8888 -8.8888 -2.9375 -2.9375 -2.2986 -2.2986 -2.0945 -2.0945 -1.0577 -1.0577 -0.4643 -0.4643 0.2385 0.2385 0.5507 0.5507 1.1190 1.1190 2.1997 2.1997 2.4119 2.4119 2.4378 2.4378 2.4561 2.4561 2.9080 2.9080 3.4195 3.4195 3.7348 3.7348 4.4864 4.4864 4.9039 4.9039 4.9671 4.9671 12.2451 12.2451 12.4116 12.4116 12.6457 12.6457 13.0534 13.0534 13.4041 13.4041 k =-0.5000 0.3086 0.2120 ( 4296 PWs) bands (ev): -13.1321 -13.1321 -12.9548 -12.9548 -11.4370 -11.4370 -9.3486 -9.3486 -9.0775 -9.0775 -8.8872 -8.8872 -3.0116 -3.0116 -2.2523 -2.2523 -2.0421 -2.0421 -1.0466 -1.0466 -0.4891 -0.4891 0.1742 0.1742 0.5056 0.5056 1.1045 1.1045 2.1772 2.1772 2.4408 2.4408 2.4584 2.4584 2.4997 2.4997 2.8921 2.8921 3.4206 3.4206 3.7225 3.7225 4.4945 4.4945 4.9112 4.9112 4.9852 4.9852 12.2460 12.2460 12.3837 12.3837 12.6470 12.6470 13.1647 13.1647 13.3801 13.3801 k =-0.5000 0.3086 0.1957 ( 4286 PWs) bands (ev): -13.1356 -13.1356 -12.9526 -12.9526 -11.4617 -11.4617 -9.2961 -9.2961 -9.0821 -9.0821 -8.8857 -8.8857 -3.0827 -3.0827 -2.2048 -2.2048 -1.9893 -1.9893 -1.0365 -1.0365 -0.5116 -0.5116 0.1090 0.1090 0.4586 0.4586 1.0908 1.0908 2.1565 2.1565 2.4609 2.4609 2.4681 2.4681 2.5584 2.5584 2.8774 2.8774 3.4213 3.4213 3.7108 3.7108 4.5014 4.5014 4.9182 4.9182 5.0034 5.0034 12.2443 12.2443 12.3575 12.3575 12.6504 12.6504 13.2736 13.2736 13.3532 13.3532 k =-0.5000 0.3086 0.1794 ( 4288 PWs) bands (ev): -13.1389 -13.1389 -12.9505 -12.9505 -11.4844 -11.4844 -9.2462 -9.2462 -9.0864 -9.0864 -8.8844 -8.8844 -3.1503 -3.1503 -2.1565 -2.1565 -1.9365 -1.9365 -1.0274 -1.0274 -0.5320 -0.5320 0.0434 0.0434 0.4103 0.4103 1.0780 1.0780 2.1378 2.1378 2.4654 2.4654 2.4926 2.4926 2.6131 2.6131 2.8639 2.8639 3.4217 3.4217 3.6997 3.6997 4.5073 4.5073 4.9248 4.9248 5.0214 5.0214 12.2410 12.2410 12.3332 12.3332 12.6559 12.6559 13.3262 13.3262 13.3779 13.3779 k =-0.5000 0.3086 0.1631 ( 4290 PWs) bands (ev): -13.1419 -13.1419 -12.9486 -12.9486 -11.5053 -11.5053 -9.1993 -9.1993 -9.0904 -9.0904 -8.8832 -8.8832 -3.2139 -3.2139 -2.1079 -2.1079 -1.8842 -1.8842 -1.0193 -1.0193 -0.5503 -0.5503 -0.0217 -0.0217 0.3613 0.3613 1.0661 1.0661 2.1210 2.1210 2.4702 2.4702 2.5155 2.5155 2.6634 2.6634 2.8517 2.8517 3.4218 3.4218 3.6894 3.6894 4.5123 4.5123 4.9310 4.9310 5.0390 5.0390 12.2367 12.2367 12.3109 12.3109 12.6635 12.6635 13.2999 13.2999 13.4745 13.4745 k =-0.5000 0.3086 0.1468 ( 4270 PWs) bands (ev): -13.1447 -13.1447 -12.9469 -12.9469 -11.5242 -11.5242 -9.1556 -9.1556 -9.0940 -9.0940 -8.8822 -8.8822 -3.2731 -3.2731 -2.0594 -2.0594 -1.8330 -1.8330 -1.0120 -1.0120 -0.5666 -0.5666 -0.0858 -0.0858 0.3123 0.3123 1.0552 1.0552 2.1063 2.1063 2.4754 2.4754 2.5366 2.5366 2.7092 2.7092 2.8406 2.8406 3.4216 3.4216 3.6798 3.6798 4.5164 4.5164 4.9368 4.9368 5.0560 5.0560 12.2320 12.2320 12.2906 12.2906 12.6730 12.6730 13.2745 13.2745 13.5598 13.5598 k =-0.5000 0.3086 0.1305 ( 4270 PWs) bands (ev): -13.1472 -13.1472 -12.9454 -12.9454 -11.5411 -11.5411 -9.1155 -9.1155 -9.0973 -9.0973 -8.8813 -8.8813 -3.3275 -3.3275 -2.0118 -2.0118 -1.7836 -1.7836 -1.0056 -1.0056 -0.5810 -0.5810 -0.1479 -0.1479 0.2642 0.2642 1.0454 1.0454 2.0935 2.0935 2.4808 2.4808 2.5558 2.5558 2.7503 2.7503 2.8307 2.8307 3.4212 3.4212 3.6710 3.6710 4.5198 4.5198 4.9421 4.9421 5.0722 5.0722 12.2272 12.2272 12.2723 12.2723 12.6842 12.6842 13.2505 13.2505 13.6301 13.6301 k =-0.5000 0.3086 0.1142 ( 4266 PWs) bands (ev): -13.1494 -13.1494 -12.9441 -12.9441 -11.5560 -11.5560 -9.1003 -9.1003 -9.0791 -9.0791 -8.8805 -8.8805 -3.3765 -3.3765 -1.9658 -1.9658 -1.7365 -1.7365 -1.0000 -1.0000 -0.5935 -0.5935 -0.2072 -0.2072 0.2178 0.2178 1.0366 1.0366 2.0825 2.0825 2.4862 2.4862 2.5729 2.5729 2.7866 2.7866 2.8220 2.8220 3.4206 3.4206 3.6631 3.6631 4.5225 4.5225 4.9469 4.9469 5.0871 5.0871 12.2225 12.2225 12.2562 12.2562 12.6967 12.6967 13.2282 13.2282 13.6658 13.6658 k =-0.5000 0.3086 0.0979 ( 4262 PWs) bands (ev): -13.1513 -13.1513 -12.9429 -12.9429 -11.5690 -11.5690 -9.1029 -9.1029 -9.0470 -9.0470 -8.8798 -8.8798 -3.4199 -3.4199 -1.9222 -1.9222 -1.6928 -1.6928 -0.9952 -0.9952 -0.6043 -0.6043 -0.2626 -0.2626 0.1742 0.1742 1.0290 1.0290 2.0732 2.0732 2.4914 2.4914 2.5880 2.5880 2.8137 2.8137 2.8189 2.8189 3.4200 3.4200 3.6562 3.6562 4.5246 4.5246 4.9511 4.9511 5.1007 5.1007 12.2182 12.2182 12.2422 12.2422 12.7100 12.7100 13.2082 13.2082 13.6159 13.6159 k =-0.5000 0.3086 0.0816 ( 4252 PWs) bands (ev): -13.1530 -13.1530 -12.9419 -12.9419 -11.5800 -11.5800 -9.1051 -9.1051 -9.0193 -9.0193 -8.8793 -8.8793 -3.4572 -3.4572 -1.8822 -1.8822 -1.6533 -1.6533 -0.9912 -0.9912 -0.6134 -0.6134 -0.3128 -0.3128 0.1346 0.1346 1.0225 1.0225 2.0655 2.0655 2.4962 2.4962 2.6008 2.6008 2.8079 2.8079 2.8451 2.8451 3.4193 3.4193 3.6502 3.6502 4.5263 4.5263 4.9547 4.9547 5.1126 5.1126 12.2144 12.2144 12.2303 12.2303 12.7236 12.7236 13.1906 13.1906 13.5706 13.5706 k =-0.5000 0.3086 0.0652 ( 4258 PWs) bands (ev): -13.1544 -13.1544 -12.9411 -12.9411 -11.5890 -11.5890 -9.1069 -9.1069 -8.9962 -8.9962 -8.8788 -8.8788 -3.4883 -3.4883 -1.8469 -1.8469 -1.6190 -1.6190 -0.9880 -0.9880 -0.6207 -0.6207 -0.3567 -0.3567 0.0999 0.0999 1.0172 1.0172 2.0595 2.0595 2.5003 2.5003 2.6114 2.6114 2.8026 2.8026 2.8669 2.8669 3.4186 3.4186 3.6453 3.6453 4.5276 4.5276 4.9576 4.9576 5.1227 5.1227 12.2111 12.2111 12.2207 12.2207 12.7367 12.7367 13.1759 13.1759 13.5310 13.5310 k =-0.5000 0.3086 0.0489 ( 4254 PWs) bands (ev): -13.1554 -13.1554 -12.9405 -12.9405 -11.5960 -11.5960 -9.1083 -9.1083 -8.9781 -8.9781 -8.8785 -8.8785 -3.5127 -3.5127 -1.8175 -1.8175 -1.5910 -1.5910 -0.9854 -0.9854 -0.6264 -0.6264 -0.3927 -0.3927 0.0715 0.0715 1.0130 1.0130 2.0548 2.0548 2.5038 2.5038 2.6197 2.6197 2.7986 2.7986 2.8839 2.8839 3.4181 3.4181 3.6414 3.6414 4.5285 4.5285 4.9600 4.9600 5.1308 5.1308 12.2082 12.2082 12.2136 12.2136 12.7484 12.7484 13.1642 13.1642 13.4984 13.4984 k =-0.5000 0.3086 0.0326 ( 4258 PWs) bands (ev): -13.1562 -13.1562 -12.9401 -12.9401 -11.6011 -11.6011 -9.1093 -9.1093 -8.9650 -8.9650 -8.8782 -8.8782 -3.5303 -3.5303 -1.7954 -1.7954 -1.5701 -1.5701 -0.9837 -0.9837 -0.6304 -0.6304 -0.4197 -0.4197 0.0503 0.0503 1.0100 1.0100 2.0515 2.0515 2.5063 2.5063 2.6256 2.6256 2.7956 2.7956 2.8961 2.8961 3.4176 3.4176 3.6386 3.6386 4.5291 4.5291 4.9617 4.9617 5.1366 5.1366 12.2053 12.2053 12.2092 12.2092 12.7577 12.7577 13.1556 13.1556 13.4740 13.4740 k =-0.5000 0.3086 0.0163 ( 4274 PWs) bands (ev): -13.1567 -13.1567 -12.9398 -12.9398 -11.6041 -11.6041 -9.1099 -9.1099 -8.9571 -8.9571 -8.8781 -8.8781 -3.5409 -3.5409 -1.7816 -1.7816 -1.5573 -1.5573 -0.9826 -0.9826 -0.6329 -0.6329 -0.4364 -0.4364 0.0372 0.0372 1.0082 1.0082 2.0496 2.0496 2.5078 2.5078 2.6292 2.6292 2.7939 2.7939 2.9033 2.9033 3.4173 3.4173 3.6369 3.6369 4.5294 4.5294 4.9627 4.9627 5.1402 5.1402 12.2029 12.2029 12.2073 12.2073 12.7638 12.7638 13.1505 13.1505 13.4588 13.4588 k =-0.5000 0.3086 0.0000 ( 4266 PWs) bands (ev): -13.1568 -13.1568 -12.9397 -12.9397 -11.6051 -11.6051 -9.1101 -9.1101 -8.9544 -8.9544 -8.8780 -8.8780 -3.5445 -3.5445 -1.7769 -1.7769 -1.5529 -1.5529 -0.9822 -0.9822 -0.6337 -0.6337 -0.4421 -0.4421 0.0327 0.0327 1.0077 1.0077 2.0490 2.0490 2.5084 2.5084 2.6304 2.6304 2.7933 2.7933 2.9058 2.9058 3.4172 3.4172 3.6363 3.6363 4.5296 4.5296 4.9630 4.9630 5.1414 5.1414 12.2020 12.2020 12.2068 12.2068 12.7659 12.7659 13.1488 13.1488 13.4537 13.4537 k = 0.0000 0.0000 0.5383 ( 4276 PWs) bands (ev): -13.2091 -13.2091 -13.2091 -13.2091 -10.1198 -10.1198 -10.1198 -10.1198 -8.9559 -8.9559 -8.9559 -8.9559 -3.9459 -3.9459 -3.9459 -3.9459 -0.3648 -0.3648 -0.3648 -0.3648 -0.1756 -0.1756 -0.1756 -0.1756 0.7843 0.7843 0.7843 0.7843 1.8812 1.8812 1.8812 1.8812 2.7487 2.7487 2.7487 2.7487 3.8046 3.8046 3.8046 3.8046 4.0820 4.0820 4.0820 4.0820 5.3221 5.3221 5.3221 5.3221 11.4786 11.4786 11.4786 11.4786 12.2221 12.2221 12.2221 12.2221 12.9423 12.9423 k =-0.0139 0.0086 0.5383 ( 4274 PWs) bands (ev): -13.2088 -13.2088 -13.2088 -13.2088 -10.1207 -10.1207 -10.1207 -10.1207 -8.9560 -8.9560 -8.9558 -8.9558 -3.9443 -3.9443 -3.9441 -3.9441 -0.3704 -0.3704 -0.3697 -0.3697 -0.1713 -0.1713 -0.1705 -0.1705 0.7854 0.7854 0.7855 0.7855 1.8793 1.8793 1.8796 1.8796 2.7498 2.7498 2.7501 2.7501 3.8037 3.8037 3.8041 3.8041 4.0802 4.0802 4.0805 4.0805 5.3218 5.3218 5.3219 5.3219 11.4784 11.4784 11.4787 11.4787 12.2242 12.2242 12.2249 12.2249 12.9426 12.9426 k =-0.0278 0.0171 0.5383 ( 4280 PWs) bands (ev): -13.2079 -13.2079 -13.2078 -13.2078 -10.1235 -10.1235 -10.1234 -10.1234 -8.9559 -8.9559 -8.9556 -8.9556 -3.9394 -3.9394 -3.9389 -3.9389 -0.3850 -0.3850 -0.3837 -0.3837 -0.1587 -0.1587 -0.1572 -0.1572 0.7888 0.7888 0.7891 0.7891 1.8739 1.8739 1.8744 1.8744 2.7532 2.7532 2.7537 2.7537 3.8016 3.8016 3.8024 3.8024 4.0753 4.0753 4.0759 4.0759 5.3210 5.3210 5.3212 5.3212 11.4781 11.4781 11.4787 11.4787 12.2311 12.2311 12.2324 12.2324 12.9437 12.9437 k =-0.0417 0.0257 0.5383 ( 4284 PWs) bands (ev): -13.2064 -13.2064 -13.2063 -13.2063 -10.1281 -10.1281 -10.1279 -10.1279 -8.9557 -8.9557 -8.9553 -8.9553 -3.9312 -3.9312 -3.9305 -3.9305 -0.4060 -0.4060 -0.4045 -0.4045 -0.1403 -0.1403 -0.1384 -0.1384 0.7945 0.7945 0.7950 0.7950 1.8650 1.8650 1.8657 1.8657 2.7588 2.7588 2.7596 2.7596 3.7981 3.7981 3.7993 3.7993 4.0673 4.0673 4.0682 4.0682 5.3197 5.3197 5.3199 5.3199 11.4778 11.4778 11.4786 11.4786 12.2426 12.2426 12.2445 12.2445 12.9455 12.9455 k =-0.0556 0.0343 0.5383 ( 4288 PWs) bands (ev): -13.2044 -13.2044 -13.2043 -13.2043 -10.1344 -10.1344 -10.1342 -10.1342 -8.9555 -8.9555 -8.9550 -8.9550 -3.9197 -3.9197 -3.9187 -3.9187 -0.4313 -0.4313 -0.4296 -0.4296 -0.1183 -0.1183 -0.1161 -0.1161 0.8025 0.8025 0.8031 0.8031 1.8529 1.8529 1.8538 1.8538 2.7664 2.7664 2.7675 2.7675 3.7934 3.7934 3.7949 3.7949 4.0566 4.0566 4.0577 4.0577 5.3176 5.3176 5.3179 5.3179 11.4776 11.4776 11.4787 11.4787 12.2585 12.2585 12.2611 12.2611 12.9480 12.9480 k =-0.0694 0.0429 0.5383 ( 4288 PWs) bands (ev): -13.2017 -13.2017 -13.2016 -13.2016 -10.1424 -10.1424 -10.1422 -10.1422 -8.9551 -8.9551 -8.9545 -8.9545 -3.9050 -3.9050 -3.9037 -3.9037 -0.4596 -0.4596 -0.4578 -0.4578 -0.0942 -0.0942 -0.0918 -0.0918 0.8127 0.8127 0.8134 0.8134 1.8376 1.8376 1.8388 1.8388 2.7757 2.7757 2.7770 2.7770 3.7873 3.7873 3.7892 3.7892 4.0434 4.0434 4.0448 4.0448 5.3148 5.3148 5.3151 5.3151 11.4778 11.4778 11.4790 11.4790 12.2785 12.2785 12.2817 12.2817 12.9511 12.9511 k =-0.0833 0.0514 0.5383 ( 4298 PWs) bands (ev): -13.1986 -13.1986 -13.1984 -13.1984 -10.1521 -10.1521 -10.1518 -10.1518 -8.9548 -8.9548 -8.9540 -8.9540 -3.8870 -3.8870 -3.8855 -3.8855 -0.4900 -0.4900 -0.4882 -0.4882 -0.0687 -0.0687 -0.0663 -0.0663 0.8251 0.8251 0.8259 0.8259 1.8195 1.8195 1.8208 1.8208 2.7864 2.7864 2.7879 2.7879 3.7799 3.7799 3.7822 3.7822 4.0282 4.0282 4.0300 4.0300 5.3109 5.3109 5.3113 5.3113 11.4784 11.4784 11.4799 11.4799 12.3024 12.3024 12.3061 12.3061 12.9548 12.9548 k =-0.0972 0.0600 0.5383 ( 4306 PWs) bands (ev): -13.1948 -13.1948 -13.1947 -13.1947 -10.1632 -10.1632 -10.1629 -10.1629 -8.9544 -8.9544 -8.9535 -8.9535 -3.8659 -3.8659 -3.8642 -3.8642 -0.5221 -0.5221 -0.5202 -0.5202 -0.0424 -0.0424 -0.0399 -0.0399 0.8396 0.8396 0.8405 0.8405 1.7987 1.7987 1.8002 1.8002 2.7981 2.7981 2.7998 2.7998 3.7711 3.7711 3.7739 3.7739 4.0115 4.0115 4.0136 4.0136 5.3059 5.3059 5.3063 5.3063 11.4798 11.4798 11.4814 11.4814 12.3296 12.3296 12.3339 12.3339 12.9591 12.9591 k =-0.1111 0.0686 0.5383 ( 4302 PWs) bands (ev): -13.1906 -13.1906 -13.1904 -13.1904 -10.1758 -10.1758 -10.1755 -10.1755 -8.9539 -8.9539 -8.9530 -8.9530 -3.8418 -3.8418 -3.8398 -3.8398 -0.5555 -0.5555 -0.5536 -0.5536 -0.0155 -0.0155 -0.0129 -0.0129 0.8561 0.8561 0.8571 0.8571 1.7755 1.7755 1.7772 1.7772 2.8104 2.8104 2.8123 2.8123 3.7610 3.7610 3.7642 3.7642 3.9939 3.9939 3.9962 3.9962 5.2996 5.2996 5.3000 5.3000 11.4821 11.4821 11.4838 11.4838 12.3599 12.3599 12.3648 12.3648 12.9638 12.9638 k =-0.1250 0.0771 0.5383 ( 4308 PWs) bands (ev): -13.1859 -13.1859 -13.1856 -13.1856 -10.1898 -10.1898 -10.1894 -10.1894 -8.9535 -8.9535 -8.9525 -8.9525 -3.8146 -3.8146 -3.8125 -3.8125 -0.5902 -0.5902 -0.5883 -0.5883 0.0118 0.0118 0.0145 0.0145 0.8745 0.8745 0.8757 0.8757 1.7501 1.7501 1.7520 1.7520 2.8228 2.8228 2.8250 2.8250 3.7495 3.7495 3.7531 3.7531 3.9758 3.9758 3.9784 3.9784 5.2919 5.2919 5.2922 5.2922 11.4853 11.4853 11.4871 11.4871 12.3928 12.3928 12.3982 12.3982 12.9689 12.9689 k =-0.1389 0.0857 0.5383 ( 4300 PWs) bands (ev): -13.1807 -13.1807 -13.1804 -13.1804 -10.2049 -10.2049 -10.2045 -10.2045 -8.9531 -8.9531 -8.9521 -8.9521 -3.7847 -3.7847 -3.7823 -3.7823 -0.6259 -0.6259 -0.6240 -0.6240 0.0395 0.0395 0.0422 0.0422 0.8948 0.8948 0.8961 0.8961 1.7228 1.7228 1.7248 1.7248 2.8350 2.8350 2.8374 2.8374 3.7368 3.7368 3.7407 3.7407 3.9579 3.9579 3.9608 3.9608 5.2826 5.2826 5.2829 5.2829 11.4896 11.4896 11.4915 11.4915 12.4279 12.4279 12.4339 12.4339 12.9746 12.9746 k =-0.1528 0.0943 0.5383 ( 4302 PWs) bands (ev): -13.1750 -13.1750 -13.1748 -13.1748 -10.2211 -10.2211 -10.2207 -10.2207 -8.9528 -8.9528 -8.9517 -8.9517 -3.7519 -3.7519 -3.7494 -3.7494 -0.6626 -0.6626 -0.6607 -0.6607 0.0673 0.0673 0.0700 0.0700 0.9169 0.9169 0.9183 0.9183 1.6937 1.6937 1.6959 1.6959 2.8464 2.8464 2.8490 2.8490 3.7228 3.7228 3.7270 3.7270 3.9408 3.9408 3.9438 3.9438 5.2716 5.2716 5.2719 5.2719 11.4951 11.4951 11.4970 11.4970 12.4648 12.4648 12.4713 12.4713 12.9807 12.9807 k =-0.1667 0.1029 0.5383 ( 4304 PWs) bands (ev): -13.1690 -13.1690 -13.1687 -13.1687 -10.2383 -10.2383 -10.2378 -10.2378 -8.9525 -8.9525 -8.9513 -8.9513 -3.7166 -3.7166 -3.7139 -3.7139 -0.7002 -0.7002 -0.6983 -0.6983 0.0952 0.0952 0.0980 0.0980 0.9406 0.9406 0.9421 0.9421 1.6633 1.6633 1.6656 1.6656 2.8567 2.8567 2.8595 2.8595 3.7075 3.7075 3.7120 3.7120 3.9248 3.9248 3.9280 3.9280 5.2589 5.2589 5.2591 5.2591 11.5017 11.5017 11.5037 11.5037 12.5030 12.5030 12.5101 12.5101 12.9874 12.9874 k =-0.1806 0.1114 0.5383 ( 4304 PWs) bands (ev): -13.1626 -13.1626 -13.1623 -13.1623 -10.2562 -10.2562 -10.2558 -10.2558 -8.9522 -8.9522 -8.9510 -8.9510 -3.6787 -3.6787 -3.6758 -3.6758 -0.7387 -0.7387 -0.7368 -0.7368 0.1232 0.1232 0.1259 0.1259 0.9658 0.9658 0.9675 0.9675 1.6316 1.6316 1.6342 1.6342 2.8654 2.8654 2.8684 2.8684 3.6912 3.6912 3.6959 3.6959 3.9106 3.9106 3.9138 3.9138 5.2444 5.2444 5.2447 5.2447 11.5094 11.5094 11.5114 11.5114 12.5421 12.5421 12.5496 12.5496 12.9950 12.9950 k =-0.1944 0.1200 0.5383 ( 4300 PWs) bands (ev): -13.1558 -13.1558 -13.1555 -13.1555 -10.2748 -10.2748 -10.2744 -10.2744 -8.9521 -8.9521 -8.9508 -8.9508 -3.6385 -3.6385 -3.6355 -3.6355 -0.7781 -0.7781 -0.7761 -0.7761 0.1511 0.1511 0.1539 0.1539 0.9923 0.9923 0.9941 0.9941 1.5992 1.5992 1.6019 1.6019 2.8722 2.8722 2.8753 2.8753 3.6739 3.6739 3.6787 3.6787 3.8986 3.8986 3.9017 3.9017 5.2282 5.2282 5.2285 5.2285 11.5182 11.5182 11.5202 11.5202 12.5812 12.5812 12.5893 12.5893 13.0038 13.0038 k =-0.2083 0.1286 0.5383 ( 4300 PWs) bands (ev): -13.1488 -13.1488 -13.1485 -13.1485 -10.2939 -10.2939 -10.2935 -10.2935 -8.9520 -8.9520 -8.9507 -8.9507 -3.5960 -3.5960 -3.5929 -3.5929 -0.8182 -0.8182 -0.8162 -0.8162 0.1790 0.1790 0.1817 0.1817 1.0199 1.0199 1.0219 1.0219 1.5662 1.5662 1.5691 1.5691 2.8766 2.8766 2.8798 2.8798 3.6557 3.6557 3.6606 3.6606 3.8890 3.8890 3.8921 3.8921 5.2103 5.2103 5.2107 5.2107 11.5279 11.5279 11.5300 11.5300 12.6198 12.6198 12.6284 12.6284 13.0143 13.0143 k =-0.2222 0.1372 0.5383 ( 4304 PWs) bands (ev): -13.1416 -13.1416 -13.1413 -13.1413 -10.3134 -10.3134 -10.3130 -10.3130 -8.9520 -8.9520 -8.9507 -8.9507 -3.5515 -3.5515 -3.5483 -3.5483 -0.8591 -0.8591 -0.8570 -0.8570 0.2066 0.2066 0.2093 0.2093 1.0482 1.0482 1.0504 1.0504 1.5333 1.5333 1.5364 1.5364 2.8784 2.8784 2.8818 2.8818 3.6367 3.6367 3.6416 3.6416 3.8823 3.8823 3.8853 3.8853 5.1908 5.1908 5.1913 5.1913 11.5385 11.5385 11.5407 11.5407 12.6570 12.6570 12.6661 12.6661 13.0271 13.0271 k =-0.2361 0.1457 0.5383 ( 4300 PWs) bands (ev): -13.1342 -13.1342 -13.1338 -13.1338 -10.3331 -10.3331 -10.3327 -10.3327 -8.9520 -8.9520 -8.9508 -8.9508 -3.5052 -3.5052 -3.5019 -3.5019 -0.9006 -0.9006 -0.8985 -0.8985 0.2339 0.2339 0.2366 0.2366 1.0767 1.0767 1.0791 1.0791 1.5011 1.5011 1.5044 1.5044 2.8774 2.8774 2.8809 2.8809 3.6171 3.6171 3.6219 3.6219 3.8785 3.8785 3.8813 3.8813 5.1699 5.1699 5.1705 5.1705 11.5499 11.5499 11.5521 11.5521 12.6917 12.6917 12.7013 12.7013 13.0430 13.0430 k =-0.2500 0.1543 0.5383 ( 4304 PWs) bands (ev): -13.1266 -13.1266 -13.1263 -13.1263 -10.3529 -10.3529 -10.3525 -10.3525 -8.9522 -8.9522 -8.9510 -8.9510 -3.4572 -3.4572 -3.4538 -3.4538 -0.9428 -0.9428 -0.9407 -0.9407 0.2609 0.2609 0.2636 0.2636 1.1044 1.1044 1.1070 1.1070 1.4706 1.4706 1.4741 1.4741 2.8735 2.8735 2.8771 2.8771 3.5968 3.5968 3.6016 3.6016 3.8779 3.8779 3.8805 3.8805 5.1476 5.1476 5.1483 5.1483 11.5619 11.5619 11.5641 11.5641 12.7231 12.7231 12.7331 12.7331 13.0628 13.0628 k =-0.2639 0.1629 0.5383 ( 4304 PWs) bands (ev): -13.1190 -13.1190 -13.1187 -13.1187 -10.3726 -10.3726 -10.3722 -10.3722 -8.9524 -8.9524 -8.9512 -8.9512 -3.4077 -3.4077 -3.4043 -3.4043 -0.9856 -0.9856 -0.9834 -0.9834 0.2875 0.2875 0.2901 0.2901 1.1299 1.1299 1.1329 1.1329 1.4434 1.4434 1.4471 1.4471 2.8667 2.8667 2.8704 2.8704 3.5761 3.5761 3.5808 3.5808 3.8803 3.8803 3.8827 3.8827 5.1241 5.1241 5.1250 5.1250 11.5744 11.5744 11.5766 11.5766 12.7503 12.7503 12.7606 12.7606 13.0871 13.0871 k =-0.2778 0.1714 0.5383 ( 4300 PWs) bands (ev): -13.1114 -13.1114 -13.1110 -13.1110 -10.3922 -10.3922 -10.3917 -10.3917 -8.9527 -8.9527 -8.9516 -8.9516 -3.3571 -3.3571 -3.3535 -3.3535 -1.0288 -1.0288 -1.0266 -1.0266 0.3135 0.3135 0.3162 0.3162 1.1509 1.1509 1.1541 1.1541 1.4220 1.4220 1.4258 1.4258 2.8571 2.8571 2.8607 2.8607 3.5550 3.5550 3.5596 3.5596 3.8857 3.8857 3.8880 3.8880 5.0996 5.0996 5.1006 5.1006 11.5872 11.5872 11.5894 11.5894 12.7729 12.7729 12.7834 12.7834 13.1163 13.1163 k =-0.2917 0.1800 0.5383 ( 4304 PWs) bands (ev): -13.1038 -13.1038 -13.1034 -13.1034 -10.4113 -10.4113 -10.4109 -10.4109 -8.9531 -8.9531 -8.9520 -8.9520 -3.3054 -3.3054 -3.3019 -3.3019 -1.0725 -1.0725 -1.0703 -1.0703 0.3390 0.3390 0.3417 0.3417 1.1639 1.1639 1.1673 1.1673 1.4099 1.4099 1.4137 1.4137 2.8447 2.8447 2.8484 2.8484 3.5336 3.5336 3.5381 3.5381 3.8939 3.8939 3.8961 3.8961 5.0744 5.0744 5.0755 5.0755 11.6002 11.6002 11.6024 11.6024 12.7911 12.7911 12.8016 12.8016 13.1499 13.1499 k =-0.3056 0.1886 0.5383 ( 4300 PWs) bands (ev): -13.0963 -13.0963 -13.0959 -13.0959 -10.4300 -10.4300 -10.4296 -10.4296 -8.9536 -8.9536 -8.9525 -8.9525 -3.2530 -3.2530 -3.2495 -3.2495 -1.1164 -1.1164 -1.1142 -1.1142 0.3639 0.3639 0.3666 0.3666 1.1659 1.1659 1.1692 1.1692 1.4104 1.4104 1.4140 1.4140 2.8299 2.8299 2.8335 2.8335 3.5121 3.5121 3.5164 3.5164 3.9047 3.9047 3.9067 3.9067 5.0486 5.0486 5.0498 5.0498 11.6133 11.6133 11.6154 11.6154 12.8053 12.8053 12.8156 12.8156 13.1873 13.1873 k =-0.3194 0.1972 0.5383 ( 4312 PWs) bands (ev): -13.0889 -13.0889 -13.0886 -13.0886 -10.4480 -10.4480 -10.4476 -10.4476 -8.9540 -8.9540 -8.9530 -8.9530 -3.2003 -3.2003 -3.1967 -3.1967 -1.1605 -1.1605 -1.1583 -1.1583 0.3882 0.3882 0.3908 0.3908 1.1563 1.1563 1.1594 1.1594 1.4239 1.4239 1.4270 1.4270 2.8128 2.8128 2.8163 2.8163 3.4906 3.4906 3.4948 3.4948 3.9176 3.9176 3.9195 3.9195 5.0224 5.0224 5.0238 5.0238 11.6262 11.6262 11.6283 11.6283 12.8163 12.8163 12.8263 12.8263 13.2272 13.2272 k =-0.3333 0.2057 0.5383 ( 4312 PWs) bands (ev): -13.0818 -13.0818 -13.0815 -13.0815 -10.4653 -10.4653 -10.4650 -10.4650 -8.9545 -8.9545 -8.9536 -8.9536 -3.1475 -3.1475 -3.1440 -3.1440 -1.2046 -1.2046 -1.2023 -1.2023 0.4117 0.4117 0.4143 0.4143 1.1378 1.1378 1.1407 1.1407 1.4476 1.4476 1.4501 1.4501 2.7937 2.7937 2.7971 2.7971 3.4695 3.4695 3.4735 3.4735 3.9323 3.9323 3.9342 3.9342 4.9962 4.9962 4.9976 4.9976 11.6389 11.6389 11.6410 11.6410 12.8248 12.8248 12.8345 12.8345 13.2686 13.2686 k =-0.3472 0.2143 0.5383 ( 4312 PWs) bands (ev): -13.0750 -13.0750 -13.0747 -13.0747 -10.4818 -10.4818 -10.4814 -10.4814 -8.9550 -8.9550 -8.9542 -8.9542 -3.0950 -3.0950 -3.0915 -3.0915 -1.2483 -1.2483 -1.2461 -1.2461 0.4345 0.4345 0.4371 0.4371 1.1140 1.1140 1.1167 1.1167 1.4777 1.4777 1.4799 1.4799 2.7731 2.7731 2.7763 2.7763 3.4488 3.4488 3.4526 3.4526 3.9484 3.9484 3.9502 3.9502 4.9702 4.9702 4.9716 4.9716 11.6511 11.6511 11.6532 11.6532 12.8315 12.8315 12.8407 12.8407 13.3100 13.3100 k =-0.3611 0.2229 0.5383 ( 4308 PWs) bands (ev): -13.0685 -13.0685 -13.0682 -13.0682 -10.4972 -10.4972 -10.4969 -10.4969 -8.9556 -8.9556 -8.9547 -8.9547 -3.0433 -3.0433 -3.0399 -3.0399 -1.2915 -1.2915 -1.2893 -1.2893 0.4565 0.4565 0.4590 0.4590 1.0873 1.0873 1.0900 1.0900 1.5116 1.5116 1.5135 1.5135 2.7511 2.7511 2.7542 2.7542 3.4289 3.4289 3.4325 3.4325 3.9655 3.9655 3.9672 3.9672 4.9446 4.9446 4.9461 4.9461 11.6629 11.6629 11.6649 11.6649 12.8369 12.8369 12.8456 12.8456 13.3504 13.3504 k =-0.3750 0.2314 0.5383 ( 4308 PWs) bands (ev): -13.0624 -13.0624 -13.0621 -13.0621 -10.5115 -10.5115 -10.5112 -10.5112 -8.9561 -8.9561 -8.9553 -8.9553 -2.9928 -2.9928 -2.9896 -2.9896 -1.3338 -1.3338 -1.3316 -1.3316 0.4777 0.4777 0.4802 0.4802 1.0597 1.0597 1.0622 1.0622 1.5473 1.5473 1.5490 1.5490 2.7281 2.7281 2.7311 2.7311 3.4100 3.4100 3.4133 3.4133 3.9831 3.9831 3.9848 3.9848 4.9198 4.9198 4.9213 4.9213 11.6740 11.6740 11.6759 11.6759 12.8414 12.8414 12.8496 12.8496 13.3886 13.3886 k =-0.3889 0.2400 0.5383 ( 4304 PWs) bands (ev): -13.0568 -13.0568 -13.0565 -13.0565 -10.5247 -10.5247 -10.5244 -10.5244 -8.9566 -8.9566 -8.9559 -8.9559 -2.9442 -2.9442 -2.9411 -2.9411 -1.3746 -1.3746 -1.3725 -1.3725 0.4980 0.4980 0.5004 0.5004 1.0321 1.0321 1.0346 1.0346 1.5834 1.5834 1.5850 1.5850 2.7047 2.7047 2.7075 2.7075 3.3923 3.3923 3.3953 3.3953 4.0007 4.0007 4.0023 4.0023 4.8961 4.8961 4.8975 4.8975 11.6843 11.6843 11.6860 11.6860 12.8453 12.8453 12.8528 12.8528 13.4234 13.4234 k =-0.4028 0.2486 0.5383 ( 4310 PWs) bands (ev): -13.0517 -13.0517 -13.0514 -13.0514 -10.5365 -10.5365 -10.5362 -10.5362 -8.9570 -8.9570 -8.9564 -8.9564 -2.8981 -2.8981 -2.8952 -2.8952 -1.4135 -1.4135 -1.4116 -1.4116 0.5172 0.5172 0.5195 0.5195 1.0054 1.0054 1.0078 1.0078 1.6190 1.6190 1.6204 1.6204 2.6814 2.6814 2.6839 2.6839 3.3761 3.3761 3.3788 3.3788 4.0180 4.0180 4.0194 4.0194 4.8738 4.8738 4.8752 4.8752 11.6937 11.6937 11.6953 11.6953 12.8488 12.8488 12.8556 12.8556 13.4537 13.4537 k =-0.4167 0.2572 0.5383 ( 4310 PWs) bands (ev): -13.0471 -13.0471 -13.0469 -13.0469 -10.5469 -10.5469 -10.5467 -10.5467 -8.9575 -8.9575 -8.9569 -8.9569 -2.8552 -2.8552 -2.8526 -2.8526 -1.4499 -1.4499 -1.4480 -1.4480 0.5352 0.5352 0.5374 0.5374 0.9803 0.9803 0.9826 0.9826 1.6529 1.6529 1.6542 1.6542 2.6586 2.6586 2.6609 2.6609 3.3616 3.3616 3.3640 3.3640 4.0343 4.0343 4.0357 4.0357 4.8533 4.8533 4.8546 4.8546 11.7021 11.7021 11.7035 11.7035 12.8519 12.8519 12.8579 12.8579 13.4790 13.4790 k =-0.4306 0.2657 0.5383 ( 4310 PWs) bands (ev): -13.0432 -13.0432 -13.0430 -13.0430 -10.5559 -10.5559 -10.5557 -10.5557 -8.9578 -8.9578 -8.9574 -8.9574 -2.8165 -2.8165 -2.8142 -2.8142 -1.4828 -1.4828 -1.4812 -1.4812 0.5518 0.5518 0.5538 0.5538 0.9573 0.9573 0.9594 0.9594 1.6842 1.6842 1.6853 1.6853 2.6372 2.6372 2.6392 2.6392 3.3491 3.3491 3.3511 3.3511 4.0493 4.0493 4.0505 4.0505 4.8351 4.8351 4.8362 4.8362 11.7094 11.7094 11.7106 11.7106 12.8548 12.8548 12.8599 12.8599 13.4989 13.4989 k =-0.4444 0.2743 0.5383 ( 4314 PWs) bands (ev): -13.0399 -13.0399 -13.0398 -13.0398 -10.5633 -10.5633 -10.5631 -10.5631 -8.9581 -8.9581 -8.9578 -8.9578 -2.7828 -2.7828 -2.7809 -2.7809 -1.5116 -1.5116 -1.5101 -1.5101 0.5666 0.5666 0.5683 0.5683 0.9371 0.9371 0.9389 0.9389 1.7119 1.7119 1.7128 1.7128 2.6180 2.6180 2.6196 2.6196 3.3386 3.3386 3.3402 3.3402 4.0625 4.0625 4.0634 4.0634 4.8194 4.8194 4.8203 4.8203 11.7155 11.7155 11.7166 11.7166 12.8573 12.8573 12.8616 12.8616 13.5135 13.5135 k =-0.4583 0.2829 0.5383 ( 4312 PWs) bands (ev): -13.0373 -13.0373 -13.0372 -13.0372 -10.5691 -10.5691 -10.5690 -10.5690 -8.9584 -8.9584 -8.9581 -8.9581 -2.7552 -2.7552 -2.7537 -2.7537 -1.5352 -1.5352 -1.5340 -1.5340 0.5791 0.5791 0.5806 0.5806 0.9203 0.9203 0.9218 0.9218 1.7349 1.7349 1.7357 1.7357 2.6017 2.6017 2.6030 2.6030 3.3304 3.3304 3.3316 3.3316 4.0733 4.0733 4.0741 4.0741 4.8067 4.8067 4.8075 4.8075 11.7204 11.7204 11.7212 11.7212 12.8595 12.8595 12.8628 12.8628 13.5235 13.5235 k =-0.4722 0.2915 0.5383 ( 4312 PWs) bands (ev): -13.0355 -13.0355 -13.0354 -13.0354 -10.5733 -10.5733 -10.5732 -10.5732 -8.9585 -8.9585 -8.9583 -8.9583 -2.7345 -2.7345 -2.7335 -2.7335 -1.5528 -1.5528 -1.5520 -1.5520 0.5888 0.5888 0.5899 0.5899 0.9077 0.9077 0.9087 0.9087 1.7523 1.7523 1.7528 1.7528 2.5894 2.5894 2.5902 2.5902 3.3245 3.3245 3.3253 3.3253 4.0814 4.0814 4.0820 4.0820 4.7974 4.7974 4.7979 4.7979 11.7240 11.7240 11.7245 11.7245 12.8613 12.8613 12.8635 12.8635 13.5300 13.5300 k =-0.4861 0.3000 0.5383 ( 4316 PWs) bands (ev): -13.0343 -13.0343 -13.0343 -13.0343 -10.5758 -10.5758 -10.5758 -10.5758 -8.9586 -8.9586 -8.9585 -8.9585 -2.7217 -2.7217 -2.7211 -2.7211 -1.5636 -1.5636 -1.5632 -1.5632 0.5951 0.5951 0.5957 0.5957 0.8998 0.8998 0.9004 0.9004 1.7632 1.7632 1.7634 1.7634 2.5817 2.5817 2.5821 2.5821 3.3210 3.3210 3.3214 3.3214 4.0865 4.0865 4.0868 4.0868 4.7917 4.7917 4.7920 4.7920 11.7262 11.7262 11.7265 11.7265 12.8627 12.8627 12.8638 12.8638 13.5337 13.5337 k =-0.5000 0.3086 0.5383 ( 4304 PWs) bands (ev): -13.0339 -13.0339 -13.0339 -13.0339 -10.5766 -10.5766 -10.5766 -10.5766 -8.9586 -8.9586 -8.9586 -8.9586 -2.7171 -2.7171 -2.7171 -2.7171 -1.5671 -1.5671 -1.5671 -1.5671 0.5975 0.5975 0.5975 0.5975 0.8973 0.8973 0.8973 0.8973 1.7670 1.7670 1.7670 1.7670 2.5792 2.5792 2.5792 2.5792 3.3199 3.3199 3.3199 3.3199 4.0883 4.0883 4.0883 4.0883 4.7899 4.7899 4.7899 4.7899 11.7270 11.7270 11.7270 11.7270 12.8635 12.8635 12.8635 12.8635 13.5354 13.5354 Writing output data file Si2N2O.save init_run : 4.13s CPU 13.48s WALL ( 1 calls) electrons : 1251.37s CPU 1262.07s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.40s CPU 1.47s WALL ( 1 calls) Called by electrons: c_bands : 1251.34s CPU 1261.76s WALL ( 1 calls) v_of_rho : 0.10s CPU 1.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.10s CPU 0.63s WALL ( 1 calls) newd : 0.55s CPU 0.63s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.11s WALL ( 374 calls) cegterg : 1153.23s CPU 1159.74s WALL ( 1196 calls) Called by sum_band: Called by *egterg: h_psi : 415.22s CPU 427.41s WALL ( 22351 calls) s_psi : 66.21s CPU 66.65s WALL ( 22351 calls) g_psi : 0.95s CPU 1.04s WALL ( 20781 calls) cdiaghg : 520.53s CPU 515.38s WALL ( 21155 calls) cegterg:over : 85.43s CPU 81.82s WALL ( 20781 calls) cegterg:upda : 20.15s CPU 26.02s WALL ( 20781 calls) cegterg:last : 15.88s CPU 16.89s WALL ( 2699 calls) Called by h_psi: h_psi:vloc : 278.29s CPU 288.26s WALL ( 22351 calls) h_psi:vnl : 136.37s CPU 137.97s WALL ( 22351 calls) add_vuspsi : 49.08s CPU 55.70s WALL ( 22351 calls) General routines calbec : 87.21s CPU 82.07s WALL ( 22351 calls) fft : 0.49s CPU 0.99s WALL ( 19 calls) ffts : 0.00s CPU 0.04s WALL ( 4 calls) fftw : 261.58s CPU 267.46s WALL ( 1786276 calls) interpolate : 0.01s CPU 0.04s WALL ( 4 calls) davcio : 0.02s CPU 3.13s WALL ( 748 calls) Parallel routines fft_scatter : 160.82s CPU 167.70s WALL ( 1786299 calls) PWSCF : 22m 1.85s CPU 23m49.10s WALL This run was terminated on: 12:43:17 24Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=