Program PWSCF v.5.3.0 (svn rev. 11974) starts on 1Feb2017 at 9:12:32 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./SiS4.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 34 32 9 1271 1206 180 Max 35 33 10 1276 1223 185 Sum 2455 2373 665 91721 87297 13087 bravais-lattice index = 14 lattice parameter (alat) = 14.6784 a.u. unit-cell volume = 2212.3521 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 2 number of electrons = 56.00 number of Kohn-Sham states= 68 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 182.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 14.678447 celldm(2)= 0.788426 celldm(3)= 0.887467 celldm(4)= 0.021379 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 0.788426 0.000000 ) a(3) = ( 0.000000 0.018973 0.887264 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.268350 -0.027122 ) b(3) = ( 0.000000 0.000000 1.127060 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 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 1151 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. # 2 for Si read from file: /users/gautes/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 atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Si 4.00 28.08550 Si( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [1,0,0] -C2 -2 180 deg rotation - cart. axis [1,0,0] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [1,0,0] -s_h -4 inv. 180 deg rotation - cart. axis [1,0,0] E Cartesian axes number of k points= 220 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045455 k( 2) = ( 0.0000000 0.0000000 0.0245013), wk = 0.0045455 k( 3) = ( 0.0000000 0.0000000 0.0490026), wk = 0.0045455 k( 4) = ( 0.0000000 0.0000000 0.0735039), wk = 0.0045455 k( 5) = ( 0.0000000 0.0000000 0.0980052), wk = 0.0045455 k( 6) = ( 0.0000000 0.0000000 0.1225065), wk = 0.0045455 k( 7) = ( 0.0000000 0.0000000 0.1470078), wk = 0.0045455 k( 8) = ( 0.0000000 0.0000000 0.1715091), wk = 0.0045455 k( 9) = ( 0.0000000 0.0000000 0.1960104), wk = 0.0045455 k( 10) = ( 0.0000000 0.0000000 0.2205117), wk = 0.0045455 k( 11) = ( 0.0000000 0.0000000 0.2450130), wk = 0.0045455 k( 12) = ( 0.0000000 0.0000000 0.2695144), wk = 0.0045455 k( 13) = ( 0.0000000 0.0000000 0.2940157), wk = 0.0045455 k( 14) = ( 0.0000000 0.0000000 0.3185170), wk = 0.0045455 k( 15) = ( 0.0000000 0.0000000 0.3430183), wk = 0.0045455 k( 16) = ( 0.0000000 0.0000000 0.3675196), wk = 0.0045455 k( 17) = ( 0.0000000 0.0000000 0.3920209), wk = 0.0045455 k( 18) = ( 0.0000000 0.0000000 0.4165222), wk = 0.0045455 k( 19) = ( 0.0000000 0.0000000 0.4410235), wk = 0.0045455 k( 20) = ( 0.0000000 0.0000000 0.4655248), wk = 0.0045455 k( 21) = ( 0.0000000 0.0000000 0.4900261), wk = 0.0045455 k( 22) = ( 0.0000000 0.0000000 0.5145274), wk = 0.0045455 k( 23) = ( 0.0000000 0.0000000 0.5390287), wk = 0.0045455 k( 24) = ( 0.0000000 0.0000000 0.5635300), wk = 0.0045455 k( 25) = ( 0.0000000 0.0000000 0.5635300), wk = 0.0045455 k( 26) = ( 0.0000000 0.0239390 0.5635300), wk = 0.0045455 k( 27) = ( 0.0000000 0.0478780 0.5635300), wk = 0.0045455 k( 28) = ( 0.0000000 0.0718171 0.5635300), wk = 0.0045455 k( 29) = ( 0.0000000 0.0957561 0.5635300), wk = 0.0045455 k( 30) = ( 0.0000000 0.1196951 0.5635300), wk = 0.0045455 k( 31) = ( 0.0000000 0.1436341 0.5635300), wk = 0.0045455 k( 32) = ( 0.0000000 0.1675731 0.5635300), wk = 0.0045455 k( 33) = ( 0.0000000 0.1915122 0.5635300), wk = 0.0045455 k( 34) = ( 0.0000000 0.2154512 0.5635300), wk = 0.0045455 k( 35) = ( 0.0000000 0.2393902 0.5635300), wk = 0.0045455 k( 36) = ( 0.0000000 0.2633292 0.5635300), wk = 0.0045455 k( 37) = ( 0.0000000 0.2872682 0.5635300), wk = 0.0045455 k( 38) = ( 0.0000000 0.3112073 0.5635300), wk = 0.0045455 k( 39) = ( 0.0000000 0.3351463 0.5635300), wk = 0.0045455 k( 40) = ( 0.0000000 0.3590853 0.5635300), wk = 0.0045455 k( 41) = ( 0.0000000 0.3830243 0.5635300), wk = 0.0045455 k( 42) = ( 0.0000000 0.4069633 0.5635300), wk = 0.0045455 k( 43) = ( 0.0000000 0.4309024 0.5635300), wk = 0.0045455 k( 44) = ( 0.0000000 0.4548414 0.5635300), wk = 0.0045455 k( 45) = ( 0.0000000 0.4787804 0.5635300), wk = 0.0045455 k( 46) = ( 0.0000000 0.5027194 0.5635300), wk = 0.0045455 k( 47) = ( 0.0000000 0.5266584 0.5635300), wk = 0.0045455 k( 48) = ( 0.0000000 0.5505975 0.5635300), wk = 0.0045455 k( 49) = ( 0.0000000 0.5745365 0.5635300), wk = 0.0045455 k( 50) = ( 0.0000000 0.5984755 0.5635300), wk = 0.0045455 k( 51) = ( 0.0000000 0.6224145 0.5635300), wk = 0.0045455 k( 52) = ( 0.0000000 0.6224145 0.5635300), wk = 0.0045455 k( 53) = ( 0.0000000 0.6341748 0.5499691), wk = 0.0045455 k( 54) = ( 0.0000000 0.6341748 0.5499691), wk = 0.0045455 k( 55) = ( 0.0238095 0.6341748 0.5499691), wk = 0.0045455 k( 56) = ( 0.0476191 0.6341748 0.5499691), wk = 0.0045455 k( 57) = ( 0.0714286 0.6341748 0.5499691), wk = 0.0045455 k( 58) = ( 0.0952381 0.6341748 0.5499691), wk = 0.0045455 k( 59) = ( 0.1190476 0.6341748 0.5499691), wk = 0.0045455 k( 60) = ( 0.1428571 0.6341748 0.5499691), wk = 0.0045455 k( 61) = ( 0.1666667 0.6341748 0.5499691), wk = 0.0045455 k( 62) = ( 0.1904762 0.6341748 0.5499691), wk = 0.0045455 k( 63) = ( 0.2142857 0.6341748 0.5499691), wk = 0.0045455 k( 64) = ( 0.2380952 0.6341748 0.5499691), wk = 0.0045455 k( 65) = ( 0.2619048 0.6341748 0.5499691), wk = 0.0045455 k( 66) = ( 0.2857143 0.6341748 0.5499691), wk = 0.0045455 k( 67) = ( 0.3095238 0.6341748 0.5499691), wk = 0.0045455 k( 68) = ( 0.3333333 0.6341748 0.5499691), wk = 0.0045455 k( 69) = ( 0.3571429 0.6341748 0.5499691), wk = 0.0045455 k( 70) = ( 0.3809524 0.6341748 0.5499691), wk = 0.0045455 k( 71) = ( 0.4047619 0.6341748 0.5499691), wk = 0.0045455 k( 72) = ( 0.4285714 0.6341748 0.5499691), wk = 0.0045455 k( 73) = ( 0.4523810 0.6341748 0.5499691), wk = 0.0045455 k( 74) = ( 0.4761905 0.6341748 0.5499691), wk = 0.0045455 k( 75) = ( 0.5000000 0.6341748 0.5499691), wk = 0.0045455 k( 76) = ( 0.5000000 0.6341748 0.5499691), wk = 0.0045455 k( 77) = ( 0.5000000 0.6459351 0.5364082), wk = 0.0045455 k( 78) = ( 0.5000000 0.6459351 0.5364082), wk = 0.0045455 k( 79) = ( 0.5000000 0.6454238 0.5124965), wk = 0.0045455 k( 80) = ( 0.5000000 0.6449125 0.4885848), wk = 0.0045455 k( 81) = ( 0.5000000 0.6444012 0.4646731), wk = 0.0045455 k( 82) = ( 0.5000000 0.6438898 0.4407614), wk = 0.0045455 k( 83) = ( 0.5000000 0.6433785 0.4168497), wk = 0.0045455 k( 84) = ( 0.5000000 0.6428672 0.3929380), wk = 0.0045455 k( 85) = ( 0.5000000 0.6423559 0.3690263), wk = 0.0045455 k( 86) = ( 0.5000000 0.6418446 0.3451146), wk = 0.0045455 k( 87) = ( 0.5000000 0.6413333 0.3212029), wk = 0.0045455 k( 88) = ( 0.5000000 0.6408219 0.2972912), wk = 0.0045455 k( 89) = ( 0.5000000 0.6403106 0.2733795), wk = 0.0045455 k( 90) = ( 0.5000000 0.6397993 0.2494678), wk = 0.0045455 k( 91) = ( 0.5000000 0.6392880 0.2255561), wk = 0.0045455 k( 92) = ( 0.5000000 0.6387767 0.2016444), wk = 0.0045455 k( 93) = ( 0.5000000 0.6382653 0.1777327), wk = 0.0045455 k( 94) = ( 0.5000000 0.6377540 0.1538210), wk = 0.0045455 k( 95) = ( 0.5000000 0.6372427 0.1299093), wk = 0.0045455 k( 96) = ( 0.5000000 0.6367314 0.1059976), wk = 0.0045455 k( 97) = ( 0.5000000 0.6362201 0.0820859), wk = 0.0045455 k( 98) = ( 0.5000000 0.6357088 0.0581742), wk = 0.0045455 k( 99) = ( 0.5000000 0.6351974 0.0342625), wk = 0.0045455 k( 100) = ( 0.5000000 0.6346861 0.0103508), wk = 0.0045455 k( 101) = ( 0.5000000 0.6341748 -0.0135609), wk = 0.0045455 k( 102) = ( 0.5000000 0.6341748 -0.0135609), wk = 0.0045455 k( 103) = ( 0.4761905 0.6341748 -0.0135609), wk = 0.0045455 k( 104) = ( 0.4523810 0.6341748 -0.0135609), wk = 0.0045455 k( 105) = ( 0.4285714 0.6341748 -0.0135609), wk = 0.0045455 k( 106) = ( 0.4047619 0.6341748 -0.0135609), wk = 0.0045455 k( 107) = ( 0.3809524 0.6341748 -0.0135609), wk = 0.0045455 k( 108) = ( 0.3571429 0.6341748 -0.0135609), wk = 0.0045455 k( 109) = ( 0.3333333 0.6341748 -0.0135609), wk = 0.0045455 k( 110) = ( 0.3095238 0.6341748 -0.0135609), wk = 0.0045455 k( 111) = ( 0.2857143 0.6341748 -0.0135609), wk = 0.0045455 k( 112) = ( 0.2619048 0.6341748 -0.0135609), wk = 0.0045455 k( 113) = ( 0.2380952 0.6341748 -0.0135609), wk = 0.0045455 k( 114) = ( 0.2142857 0.6341748 -0.0135609), wk = 0.0045455 k( 115) = ( 0.1904762 0.6341748 -0.0135609), wk = 0.0045455 k( 116) = ( 0.1666667 0.6341748 -0.0135609), wk = 0.0045455 k( 117) = ( 0.1428571 0.6341748 -0.0135609), wk = 0.0045455 k( 118) = ( 0.1190476 0.6341748 -0.0135609), wk = 0.0045455 k( 119) = ( 0.0952381 0.6341748 -0.0135609), wk = 0.0045455 k( 120) = ( 0.0714286 0.6341748 -0.0135609), wk = 0.0045455 k( 121) = ( 0.0476191 0.6341748 -0.0135609), wk = 0.0045455 k( 122) = ( 0.0238095 0.6341748 -0.0135609), wk = 0.0045455 k( 123) = ( 0.0000000 0.6341748 -0.0135609), wk = 0.0045455 k( 124) = ( 0.0000000 0.6341748 -0.0135609), wk = 0.0045455 k( 125) = ( 0.0000000 0.6346861 0.0103508), wk = 0.0045455 k( 126) = ( 0.0000000 0.6351974 0.0342625), wk = 0.0045455 k( 127) = ( 0.0000000 0.6357088 0.0581742), wk = 0.0045455 k( 128) = ( 0.0000000 0.6362201 0.0820859), wk = 0.0045455 k( 129) = ( 0.0000000 0.6367314 0.1059976), wk = 0.0045455 k( 130) = ( 0.0000000 0.6372427 0.1299093), wk = 0.0045455 k( 131) = ( 0.0000000 0.6377540 0.1538210), wk = 0.0045455 k( 132) = ( 0.0000000 0.6382653 0.1777327), wk = 0.0045455 k( 133) = ( 0.0000000 0.6387767 0.2016444), wk = 0.0045455 k( 134) = ( 0.0000000 0.6392880 0.2255561), wk = 0.0045455 k( 135) = ( 0.0000000 0.6397993 0.2494678), wk = 0.0045455 k( 136) = ( 0.0000000 0.6403106 0.2733795), wk = 0.0045455 k( 137) = ( 0.0000000 0.6408219 0.2972912), wk = 0.0045455 k( 138) = ( 0.0000000 0.6413333 0.3212029), wk = 0.0045455 k( 139) = ( 0.0000000 0.6418446 0.3451146), wk = 0.0045455 k( 140) = ( 0.0000000 0.6423559 0.3690263), wk = 0.0045455 k( 141) = ( 0.0000000 0.6428672 0.3929380), wk = 0.0045455 k( 142) = ( 0.0000000 0.6433785 0.4168497), wk = 0.0045455 k( 143) = ( 0.0000000 0.6438898 0.4407614), wk = 0.0045455 k( 144) = ( 0.0000000 0.6444012 0.4646731), wk = 0.0045455 k( 145) = ( 0.0000000 0.6449125 0.4885848), wk = 0.0045455 k( 146) = ( 0.0000000 0.6454238 0.5124965), wk = 0.0045455 k( 147) = ( 0.0000000 0.6459351 0.5364082), wk = 0.0045455 k( 148) = ( 0.5000000 0.6224145 0.5635300), wk = 0.0045455 k( 149) = ( 0.5000000 0.5984755 0.5635300), wk = 0.0045455 k( 150) = ( 0.5000000 0.5745365 0.5635300), wk = 0.0045455 k( 151) = ( 0.5000000 0.5505975 0.5635300), wk = 0.0045455 k( 152) = ( 0.5000000 0.5266584 0.5635300), wk = 0.0045455 k( 153) = ( 0.5000000 0.5027194 0.5635300), wk = 0.0045455 k( 154) = ( 0.5000000 0.4787804 0.5635300), wk = 0.0045455 k( 155) = ( 0.5000000 0.4548414 0.5635300), wk = 0.0045455 k( 156) = ( 0.5000000 0.4309024 0.5635300), wk = 0.0045455 k( 157) = ( 0.5000000 0.4069633 0.5635300), wk = 0.0045455 k( 158) = ( 0.5000000 0.3830243 0.5635300), wk = 0.0045455 k( 159) = ( 0.5000000 0.3590853 0.5635300), wk = 0.0045455 k( 160) = ( 0.5000000 0.3351463 0.5635300), wk = 0.0045455 k( 161) = ( 0.5000000 0.3112073 0.5635300), wk = 0.0045455 k( 162) = ( 0.5000000 0.2872682 0.5635300), wk = 0.0045455 k( 163) = ( 0.5000000 0.2633292 0.5635300), wk = 0.0045455 k( 164) = ( 0.5000000 0.2393902 0.5635300), wk = 0.0045455 k( 165) = ( 0.5000000 0.2154512 0.5635300), wk = 0.0045455 k( 166) = ( 0.5000000 0.1915122 0.5635300), wk = 0.0045455 k( 167) = ( 0.5000000 0.1675731 0.5635300), wk = 0.0045455 k( 168) = ( 0.5000000 0.1436341 0.5635300), wk = 0.0045455 k( 169) = ( 0.5000000 0.1196951 0.5635300), wk = 0.0045455 k( 170) = ( 0.5000000 0.0957561 0.5635300), wk = 0.0045455 k( 171) = ( 0.5000000 0.0718171 0.5635300), wk = 0.0045455 k( 172) = ( 0.5000000 0.0478780 0.5635300), wk = 0.0045455 k( 173) = ( 0.5000000 0.0239390 0.5635300), wk = 0.0045455 k( 174) = ( 0.5000000 -0.0000000 0.5635300), wk = 0.0045455 k( 175) = ( 0.5000000 -0.0000000 0.5635300), wk = 0.0045455 k( 176) = ( 0.5000000 -0.0000000 0.5390287), wk = 0.0045455 k( 177) = ( 0.5000000 -0.0000000 0.5145274), wk = 0.0045455 k( 178) = ( 0.5000000 -0.0000000 0.4900261), wk = 0.0045455 k( 179) = ( 0.5000000 -0.0000000 0.4655248), wk = 0.0045455 k( 180) = ( 0.5000000 -0.0000000 0.4410235), wk = 0.0045455 k( 181) = ( 0.5000000 -0.0000000 0.4165222), wk = 0.0045455 k( 182) = ( 0.5000000 -0.0000000 0.3920209), wk = 0.0045455 k( 183) = ( 0.5000000 -0.0000000 0.3675196), wk = 0.0045455 k( 184) = ( 0.5000000 -0.0000000 0.3430183), wk = 0.0045455 k( 185) = ( 0.5000000 -0.0000000 0.3185170), wk = 0.0045455 k( 186) = ( 0.5000000 -0.0000000 0.2940157), wk = 0.0045455 k( 187) = ( 0.5000000 -0.0000000 0.2695144), wk = 0.0045455 k( 188) = ( 0.5000000 -0.0000000 0.2450130), wk = 0.0045455 k( 189) = ( 0.5000000 -0.0000000 0.2205117), wk = 0.0045455 k( 190) = ( 0.5000000 -0.0000000 0.1960104), wk = 0.0045455 k( 191) = ( 0.5000000 -0.0000000 0.1715091), wk = 0.0045455 k( 192) = ( 0.5000000 -0.0000000 0.1470078), wk = 0.0045455 k( 193) = ( 0.5000000 -0.0000000 0.1225065), wk = 0.0045455 k( 194) = ( 0.5000000 -0.0000000 0.0980052), wk = 0.0045455 k( 195) = ( 0.5000000 -0.0000000 0.0735039), wk = 0.0045455 k( 196) = ( 0.5000000 -0.0000000 0.0490026), wk = 0.0045455 k( 197) = ( 0.5000000 -0.0000000 0.0245013), wk = 0.0045455 k( 198) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0045455 k( 199) = ( 0.0000000 0.0000000 0.5635300), wk = 0.0045455 k( 200) = ( 0.0238095 -0.0000000 0.5635300), wk = 0.0045455 k( 201) = ( 0.0476191 -0.0000000 0.5635300), wk = 0.0045455 k( 202) = ( 0.0714286 -0.0000000 0.5635300), wk = 0.0045455 k( 203) = ( 0.0952381 -0.0000000 0.5635300), wk = 0.0045455 k( 204) = ( 0.1190476 -0.0000000 0.5635300), wk = 0.0045455 k( 205) = ( 0.1428571 -0.0000000 0.5635300), wk = 0.0045455 k( 206) = ( 0.1666667 -0.0000000 0.5635300), wk = 0.0045455 k( 207) = ( 0.1904762 -0.0000000 0.5635300), wk = 0.0045455 k( 208) = ( 0.2142857 -0.0000000 0.5635300), wk = 0.0045455 k( 209) = ( 0.2380952 -0.0000000 0.5635300), wk = 0.0045455 k( 210) = ( 0.2619048 -0.0000000 0.5635300), wk = 0.0045455 k( 211) = ( 0.2857143 -0.0000000 0.5635300), wk = 0.0045455 k( 212) = ( 0.3095238 -0.0000000 0.5635300), wk = 0.0045455 k( 213) = ( 0.3333333 -0.0000000 0.5635300), wk = 0.0045455 k( 214) = ( 0.3571429 -0.0000000 0.5635300), wk = 0.0045455 k( 215) = ( 0.3809524 -0.0000000 0.5635300), wk = 0.0045455 k( 216) = ( 0.4047619 -0.0000000 0.5635300), wk = 0.0045455 k( 217) = ( 0.4285714 -0.0000000 0.5635300), wk = 0.0045455 k( 218) = ( 0.4523810 -0.0000000 0.5635300), wk = 0.0045455 k( 219) = ( 0.4761905 -0.0000000 0.5635300), wk = 0.0045455 k( 220) = ( 0.5000000 -0.0000000 0.5635300), wk = 0.0045455 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045455 k( 2) = ( 0.0000000 0.0000000 0.0217391), wk = 0.0045455 k( 3) = ( 0.0000000 0.0000000 0.0434783), wk = 0.0045455 k( 4) = ( 0.0000000 0.0000000 0.0652174), wk = 0.0045455 k( 5) = ( 0.0000000 0.0000000 0.0869565), wk = 0.0045455 k( 6) = ( 0.0000000 0.0000000 0.1086957), wk = 0.0045455 k( 7) = ( 0.0000000 0.0000000 0.1304348), wk = 0.0045455 k( 8) = ( 0.0000000 0.0000000 0.1521739), wk = 0.0045455 k( 9) = ( 0.0000000 0.0000000 0.1739130), wk = 0.0045455 k( 10) = ( 0.0000000 0.0000000 0.1956522), wk = 0.0045455 k( 11) = ( 0.0000000 0.0000000 0.2173913), wk = 0.0045455 k( 12) = ( 0.0000000 0.0000000 0.2391304), wk = 0.0045455 k( 13) = ( 0.0000000 0.0000000 0.2608696), wk = 0.0045455 k( 14) = ( 0.0000000 0.0000000 0.2826087), wk = 0.0045455 k( 15) = ( 0.0000000 0.0000000 0.3043478), wk = 0.0045455 k( 16) = ( 0.0000000 0.0000000 0.3260870), wk = 0.0045455 k( 17) = ( 0.0000000 0.0000000 0.3478261), wk = 0.0045455 k( 18) = ( 0.0000000 0.0000000 0.3695652), wk = 0.0045455 k( 19) = ( 0.0000000 0.0000000 0.3913044), wk = 0.0045455 k( 20) = ( 0.0000000 0.0000000 0.4130435), wk = 0.0045455 k( 21) = ( 0.0000000 0.0000000 0.4347826), wk = 0.0045455 k( 22) = ( 0.0000000 0.0000000 0.4565217), wk = 0.0045455 k( 23) = ( 0.0000000 0.0000000 0.4782609), wk = 0.0045455 k( 24) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0045455 k( 25) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0045455 k( 26) = ( 0.0000000 0.0188741 0.5004542), wk = 0.0045455 k( 27) = ( 0.0000000 0.0377483 0.5009084), wk = 0.0045455 k( 28) = ( 0.0000000 0.0566224 0.5013626), wk = 0.0045455 k( 29) = ( 0.0000000 0.0754966 0.5018168), wk = 0.0045455 k( 30) = ( 0.0000000 0.0943707 0.5022710), wk = 0.0045455 k( 31) = ( 0.0000000 0.1132449 0.5027251), wk = 0.0045455 k( 32) = ( 0.0000000 0.1321190 0.5031793), wk = 0.0045455 k( 33) = ( 0.0000000 0.1509932 0.5036335), wk = 0.0045455 k( 34) = ( 0.0000000 0.1698673 0.5040877), wk = 0.0045455 k( 35) = ( 0.0000000 0.1887415 0.5045419), wk = 0.0045455 k( 36) = ( 0.0000000 0.2076156 0.5049961), wk = 0.0045455 k( 37) = ( 0.0000000 0.2264898 0.5054503), wk = 0.0045455 k( 38) = ( 0.0000000 0.2453639 0.5059045), wk = 0.0045455 k( 39) = ( 0.0000000 0.2642381 0.5063587), wk = 0.0045455 k( 40) = ( 0.0000000 0.2831122 0.5068129), wk = 0.0045455 k( 41) = ( 0.0000000 0.3019864 0.5072671), wk = 0.0045455 k( 42) = ( 0.0000000 0.3208605 0.5077213), wk = 0.0045455 k( 43) = ( 0.0000000 0.3397347 0.5081754), wk = 0.0045455 k( 44) = ( 0.0000000 0.3586088 0.5086296), wk = 0.0045455 k( 45) = ( 0.0000000 0.3774830 0.5090838), wk = 0.0045455 k( 46) = ( 0.0000000 0.3963571 0.5095380), wk = 0.0045455 k( 47) = ( 0.0000000 0.4152313 0.5099922), wk = 0.0045455 k( 48) = ( 0.0000000 0.4341054 0.5104464), wk = 0.0045455 k( 49) = ( 0.0000000 0.4529796 0.5109006), wk = 0.0045455 k( 50) = ( 0.0000000 0.4718537 0.5113548), wk = 0.0045455 k( 51) = ( 0.0000000 0.4907279 0.5118090), wk = 0.0045455 k( 52) = ( 0.0000000 0.4907279 0.5118090), wk = 0.0045455 k( 53) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0045455 k( 54) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0045455 k( 55) = ( 0.0238095 0.5000000 0.5000000), wk = 0.0045455 k( 56) = ( 0.0476191 0.5000000 0.5000000), wk = 0.0045455 k( 57) = ( 0.0714286 0.5000000 0.5000000), wk = 0.0045455 k( 58) = ( 0.0952381 0.5000000 0.5000000), wk = 0.0045455 k( 59) = ( 0.1190476 0.5000000 0.5000000), wk = 0.0045455 k( 60) = ( 0.1428571 0.5000000 0.5000000), wk = 0.0045455 k( 61) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0045455 k( 62) = ( 0.1904762 0.5000000 0.5000000), wk = 0.0045455 k( 63) = ( 0.2142857 0.5000000 0.5000000), wk = 0.0045455 k( 64) = ( 0.2380952 0.5000000 0.5000000), wk = 0.0045455 k( 65) = ( 0.2619048 0.5000000 0.5000000), wk = 0.0045455 k( 66) = ( 0.2857143 0.5000000 0.5000000), wk = 0.0045455 k( 67) = ( 0.3095238 0.5000000 0.5000000), wk = 0.0045455 k( 68) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0045455 k( 69) = ( 0.3571429 0.5000000 0.5000000), wk = 0.0045455 k( 70) = ( 0.3809524 0.5000000 0.5000000), wk = 0.0045455 k( 71) = ( 0.4047619 0.5000000 0.5000000), wk = 0.0045455 k( 72) = ( 0.4285714 0.5000000 0.5000000), wk = 0.0045455 k( 73) = ( 0.4523810 0.5000000 0.5000000), wk = 0.0045455 k( 74) = ( 0.4761905 0.5000000 0.5000000), wk = 0.0045455 k( 75) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045455 k( 76) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045455 k( 77) = ( 0.5000000 0.5092721 0.4881910), wk = 0.0045455 k( 78) = ( 0.5000000 0.5092721 0.4881910), wk = 0.0045455 k( 79) = ( 0.5000000 0.5088690 0.4669653), wk = 0.0045455 k( 80) = ( 0.5000000 0.5084658 0.4457396), wk = 0.0045455 k( 81) = ( 0.5000000 0.5080627 0.4245139), wk = 0.0045455 k( 82) = ( 0.5000000 0.5076596 0.4032882), wk = 0.0045455 k( 83) = ( 0.5000000 0.5072564 0.3820625), wk = 0.0045455 k( 84) = ( 0.5000000 0.5068533 0.3608368), wk = 0.0045455 k( 85) = ( 0.5000000 0.5064502 0.3396111), wk = 0.0045455 k( 86) = ( 0.5000000 0.5060470 0.3183855), wk = 0.0045455 k( 87) = ( 0.5000000 0.5056439 0.2971598), wk = 0.0045455 k( 88) = ( 0.5000000 0.5052408 0.2759341), wk = 0.0045455 k( 89) = ( 0.5000000 0.5048376 0.2547084), wk = 0.0045455 k( 90) = ( 0.5000000 0.5044345 0.2334827), wk = 0.0045455 k( 91) = ( 0.5000000 0.5040314 0.2122570), wk = 0.0045455 k( 92) = ( 0.5000000 0.5036282 0.1910313), wk = 0.0045455 k( 93) = ( 0.5000000 0.5032251 0.1698056), wk = 0.0045455 k( 94) = ( 0.5000000 0.5028219 0.1485799), wk = 0.0045455 k( 95) = ( 0.5000000 0.5024188 0.1273542), wk = 0.0045455 k( 96) = ( 0.5000000 0.5020157 0.1061285), wk = 0.0045455 k( 97) = ( 0.5000000 0.5016125 0.0849028), wk = 0.0045455 k( 98) = ( 0.5000000 0.5012094 0.0636771), wk = 0.0045455 k( 99) = ( 0.5000000 0.5008063 0.0424514), wk = 0.0045455 k( 100) = ( 0.5000000 0.5004031 0.0212257), wk = 0.0045455 k( 101) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0045455 k( 102) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0045455 k( 103) = ( 0.4761905 0.5000000 0.0000000), wk = 0.0045455 k( 104) = ( 0.4523810 0.5000000 -0.0000000), wk = 0.0045455 k( 105) = ( 0.4285714 0.5000000 0.0000000), wk = 0.0045455 k( 106) = ( 0.4047619 0.5000000 0.0000000), wk = 0.0045455 k( 107) = ( 0.3809524 0.5000000 0.0000000), wk = 0.0045455 k( 108) = ( 0.3571429 0.5000000 0.0000000), wk = 0.0045455 k( 109) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0045455 k( 110) = ( 0.3095238 0.5000000 0.0000000), wk = 0.0045455 k( 111) = ( 0.2857143 0.5000000 0.0000000), wk = 0.0045455 k( 112) = ( 0.2619048 0.5000000 -0.0000000), wk = 0.0045455 k( 113) = ( 0.2380952 0.5000000 0.0000000), wk = 0.0045455 k( 114) = ( 0.2142857 0.5000000 0.0000000), wk = 0.0045455 k( 115) = ( 0.1904762 0.5000000 0.0000000), wk = 0.0045455 k( 116) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0045455 k( 117) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0045455 k( 118) = ( 0.1190476 0.5000000 -0.0000000), wk = 0.0045455 k( 119) = ( 0.0952381 0.5000000 0.0000000), wk = 0.0045455 k( 120) = ( 0.0714286 0.5000000 0.0000000), wk = 0.0045455 k( 121) = ( 0.0476191 0.5000000 -0.0000000), wk = 0.0045455 k( 122) = ( 0.0238095 0.5000000 0.0000000), wk = 0.0045455 k( 123) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0045455 k( 124) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0045455 k( 125) = ( 0.0000000 0.5004031 0.0212257), wk = 0.0045455 k( 126) = ( 0.0000000 0.5008063 0.0424514), wk = 0.0045455 k( 127) = ( 0.0000000 0.5012094 0.0636771), wk = 0.0045455 k( 128) = ( 0.0000000 0.5016125 0.0849028), wk = 0.0045455 k( 129) = ( 0.0000000 0.5020157 0.1061285), wk = 0.0045455 k( 130) = ( 0.0000000 0.5024188 0.1273542), wk = 0.0045455 k( 131) = ( 0.0000000 0.5028219 0.1485799), wk = 0.0045455 k( 132) = ( 0.0000000 0.5032251 0.1698056), wk = 0.0045455 k( 133) = ( 0.0000000 0.5036282 0.1910313), wk = 0.0045455 k( 134) = ( 0.0000000 0.5040314 0.2122570), wk = 0.0045455 k( 135) = ( 0.0000000 0.5044345 0.2334827), wk = 0.0045455 k( 136) = ( 0.0000000 0.5048376 0.2547084), wk = 0.0045455 k( 137) = ( 0.0000000 0.5052408 0.2759341), wk = 0.0045455 k( 138) = ( 0.0000000 0.5056439 0.2971598), wk = 0.0045455 k( 139) = ( 0.0000000 0.5060470 0.3183855), wk = 0.0045455 k( 140) = ( 0.0000000 0.5064502 0.3396111), wk = 0.0045455 k( 141) = ( 0.0000000 0.5068533 0.3608368), wk = 0.0045455 k( 142) = ( 0.0000000 0.5072564 0.3820625), wk = 0.0045455 k( 143) = ( 0.0000000 0.5076596 0.4032882), wk = 0.0045455 k( 144) = ( 0.0000000 0.5080627 0.4245139), wk = 0.0045455 k( 145) = ( 0.0000000 0.5084658 0.4457396), wk = 0.0045455 k( 146) = ( 0.0000000 0.5088690 0.4669653), wk = 0.0045455 k( 147) = ( 0.0000000 0.5092721 0.4881910), wk = 0.0045455 k( 148) = ( 0.5000000 0.4907279 0.5118090), wk = 0.0045455 k( 149) = ( 0.5000000 0.4718537 0.5113548), wk = 0.0045455 k( 150) = ( 0.5000000 0.4529796 0.5109006), wk = 0.0045455 k( 151) = ( 0.5000000 0.4341054 0.5104464), wk = 0.0045455 k( 152) = ( 0.5000000 0.4152313 0.5099922), wk = 0.0045455 k( 153) = ( 0.5000000 0.3963571 0.5095380), wk = 0.0045455 k( 154) = ( 0.5000000 0.3774830 0.5090838), wk = 0.0045455 k( 155) = ( 0.5000000 0.3586088 0.5086296), wk = 0.0045455 k( 156) = ( 0.5000000 0.3397347 0.5081754), wk = 0.0045455 k( 157) = ( 0.5000000 0.3208605 0.5077213), wk = 0.0045455 k( 158) = ( 0.5000000 0.3019864 0.5072671), wk = 0.0045455 k( 159) = ( 0.5000000 0.2831122 0.5068129), wk = 0.0045455 k( 160) = ( 0.5000000 0.2642381 0.5063587), wk = 0.0045455 k( 161) = ( 0.5000000 0.2453639 0.5059045), wk = 0.0045455 k( 162) = ( 0.5000000 0.2264898 0.5054503), wk = 0.0045455 k( 163) = ( 0.5000000 0.2076156 0.5049961), wk = 0.0045455 k( 164) = ( 0.5000000 0.1887415 0.5045419), wk = 0.0045455 k( 165) = ( 0.5000000 0.1698673 0.5040877), wk = 0.0045455 k( 166) = ( 0.5000000 0.1509932 0.5036335), wk = 0.0045455 k( 167) = ( 0.5000000 0.1321190 0.5031793), wk = 0.0045455 k( 168) = ( 0.5000000 0.1132449 0.5027251), wk = 0.0045455 k( 169) = ( 0.5000000 0.0943707 0.5022710), wk = 0.0045455 k( 170) = ( 0.5000000 0.0754966 0.5018168), wk = 0.0045455 k( 171) = ( 0.5000000 0.0566224 0.5013626), wk = 0.0045455 k( 172) = ( 0.5000000 0.0377483 0.5009084), wk = 0.0045455 k( 173) = ( 0.5000000 0.0188741 0.5004542), wk = 0.0045455 k( 174) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0045455 k( 175) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0045455 k( 176) = ( 0.5000000 0.0000000 0.4782609), wk = 0.0045455 k( 177) = ( 0.5000000 0.0000000 0.4565217), wk = 0.0045455 k( 178) = ( 0.5000000 0.0000000 0.4347826), wk = 0.0045455 k( 179) = ( 0.5000000 0.0000000 0.4130435), wk = 0.0045455 k( 180) = ( 0.5000000 0.0000000 0.3913044), wk = 0.0045455 k( 181) = ( 0.5000000 0.0000000 0.3695652), wk = 0.0045455 k( 182) = ( 0.5000000 0.0000000 0.3478261), wk = 0.0045455 k( 183) = ( 0.5000000 0.0000000 0.3260870), wk = 0.0045455 k( 184) = ( 0.5000000 0.0000000 0.3043478), wk = 0.0045455 k( 185) = ( 0.5000000 0.0000000 0.2826087), wk = 0.0045455 k( 186) = ( 0.5000000 0.0000000 0.2608696), wk = 0.0045455 k( 187) = ( 0.5000000 0.0000000 0.2391304), wk = 0.0045455 k( 188) = ( 0.5000000 0.0000000 0.2173913), wk = 0.0045455 k( 189) = ( 0.5000000 0.0000000 0.1956522), wk = 0.0045455 k( 190) = ( 0.5000000 0.0000000 0.1739130), wk = 0.0045455 k( 191) = ( 0.5000000 0.0000000 0.1521739), wk = 0.0045455 k( 192) = ( 0.5000000 0.0000000 0.1304348), wk = 0.0045455 k( 193) = ( 0.5000000 0.0000000 0.1086957), wk = 0.0045455 k( 194) = ( 0.5000000 0.0000000 0.0869565), wk = 0.0045455 k( 195) = ( 0.5000000 0.0000000 0.0652174), wk = 0.0045455 k( 196) = ( 0.5000000 0.0000000 0.0434783), wk = 0.0045455 k( 197) = ( 0.5000000 0.0000000 0.0217391), wk = 0.0045455 k( 198) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0045455 k( 199) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0045455 k( 200) = ( 0.0238095 0.0000000 0.5000000), wk = 0.0045455 k( 201) = ( 0.0476191 -0.0000000 0.5000000), wk = 0.0045455 k( 202) = ( 0.0714286 0.0000000 0.5000000), wk = 0.0045455 k( 203) = ( 0.0952381 -0.0000000 0.5000000), wk = 0.0045455 k( 204) = ( 0.1190476 0.0000000 0.5000000), wk = 0.0045455 k( 205) = ( 0.1428571 0.0000000 0.5000000), wk = 0.0045455 k( 206) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0045455 k( 207) = ( 0.1904762 0.0000000 0.5000000), wk = 0.0045455 k( 208) = ( 0.2142857 0.0000000 0.5000000), wk = 0.0045455 k( 209) = ( 0.2380952 0.0000000 0.5000000), wk = 0.0045455 k( 210) = ( 0.2619048 0.0000000 0.5000000), wk = 0.0045455 k( 211) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0045455 k( 212) = ( 0.3095238 0.0000000 0.5000000), wk = 0.0045455 k( 213) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0045455 k( 214) = ( 0.3571429 0.0000000 0.5000000), wk = 0.0045455 k( 215) = ( 0.3809524 0.0000000 0.5000000), wk = 0.0045455 k( 216) = ( 0.4047619 0.0000000 0.5000000), wk = 0.0045455 k( 217) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0045455 k( 218) = ( 0.4523810 -0.0000000 0.5000000), wk = 0.0045455 k( 219) = ( 0.4761905 0.0000000 0.5000000), wk = 0.0045455 k( 220) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0045455 Dense grid: 91721 G-vectors FFT dimensions: ( 64, 50, 60) Smooth grid: 87297 G-vectors FFT dimensions: ( 64, 50, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.32 Mb ( 310, 68) NL pseudopotentials 0.80 Mb ( 155, 340) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 1273) G-vector shells 0.01 Mb ( 1211) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.29 Mb ( 310, 272) Each subspace H/S matrix 0.03 Mb ( 45, 45) Each matrix 0.71 Mb ( 340, 2, 68) The potential is recalculated from file : ./SiS4.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 3.6 secs Computing kpt #: 2 total cpu time spent up to now is 5.2 secs Computing kpt #: 3 total cpu time spent up to now is 6.7 secs Computing kpt #: 4 total cpu time spent up to now is 8.3 secs Computing kpt #: 5 total cpu time spent up to now is 9.8 secs Computing kpt #: 6 total cpu time spent up to now is 11.4 secs Computing kpt #: 7 total cpu time spent up to now is 13.0 secs Computing kpt #: 8 total cpu time spent up to now is 14.5 secs Computing kpt #: 9 total cpu time spent up to now is 16.1 secs Computing kpt #: 10 total cpu time spent up to now is 17.7 secs Computing kpt #: 11 total cpu time spent up to now is 19.2 secs Computing kpt #: 12 total cpu time spent up to now is 20.6 secs Computing kpt #: 13 total cpu time spent up to now is 22.0 secs Computing kpt #: 14 total cpu time spent up to now is 24.4 secs Computing kpt #: 15 total cpu time spent up to now is 25.9 secs Computing kpt #: 16 total cpu time spent up to now is 27.5 secs Computing kpt #: 17 total cpu time spent up to now is 29.1 secs Computing kpt #: 18 total cpu time spent up to now is 30.7 secs Computing kpt #: 19 total cpu time spent up to now is 32.2 secs Computing kpt #: 20 total cpu time spent up to now is 33.8 secs Computing kpt #: 21 total cpu time spent up to now is 35.3 secs Computing kpt #: 22 total cpu time spent up to now is 36.8 secs Computing kpt #: 23 total cpu time spent up to now is 38.3 secs Computing kpt #: 24 total cpu time spent up to now is 39.8 secs Computing kpt #: 25 total cpu time spent up to now is 41.3 secs Computing kpt #: 26 total cpu time spent up to now is 42.7 secs Computing kpt #: 27 total cpu time spent up to now is 44.3 secs Computing kpt #: 28 total cpu time spent up to now is 45.8 secs Computing kpt #: 29 total cpu time spent up to now is 47.3 secs Computing kpt #: 30 total cpu time spent up to now is 48.8 secs Computing kpt #: 31 total cpu time spent up to now is 50.3 secs Computing kpt #: 32 total cpu time spent up to now is 51.9 secs Computing kpt #: 33 total cpu time spent up to now is 53.5 secs Computing kpt #: 34 total cpu time spent up to now is 55.5 secs Computing kpt #: 35 total cpu time spent up to now is 57.0 secs Computing kpt #: 36 total cpu time spent up to now is 58.5 secs Computing kpt #: 37 total cpu time spent up to now is 60.1 secs Computing kpt #: 38 total cpu time spent up to now is 61.7 secs Computing kpt #: 39 total cpu time spent up to now is 63.2 secs Computing kpt #: 40 total cpu time spent up to now is 64.8 secs Computing kpt #: 41 total cpu time spent up to now is 66.3 secs Computing kpt #: 42 total cpu time spent up to now is 67.9 secs Computing kpt #: 43 total cpu time spent up to now is 69.5 secs Computing kpt #: 44 total cpu time spent up to now is 71.1 secs Computing kpt #: 45 total cpu time spent up to now is 72.6 secs Computing kpt #: 46 total cpu time spent up to now is 74.1 secs Computing kpt #: 47 total cpu time spent up to now is 75.6 secs Computing kpt #: 48 total cpu time spent up to now is 77.1 secs Computing kpt #: 49 total cpu time spent up to now is 78.7 secs Computing kpt #: 50 total cpu time spent up to now is 80.2 secs Computing kpt #: 51 total cpu time spent up to now is 81.7 secs Computing kpt #: 52 total cpu time spent up to now is 83.2 secs Computing kpt #: 53 total cpu time spent up to now is 84.7 secs Computing kpt #: 54 total cpu time spent up to now is 87.1 secs Computing kpt #: 55 total cpu time spent up to now is 88.6 secs Computing kpt #: 56 total cpu time spent up to now is 90.2 secs Computing kpt #: 57 total cpu time spent up to now is 91.7 secs Computing kpt #: 58 total cpu time spent up to now is 93.1 secs Computing kpt #: 59 total cpu time spent up to now is 94.6 secs Computing kpt #: 60 total cpu time spent up to now is 96.0 secs Computing kpt #: 61 total cpu time spent up to now is 97.6 secs Computing kpt #: 62 total cpu time spent up to now is 99.0 secs Computing kpt #: 63 total cpu time spent up to now is 100.5 secs Computing kpt #: 64 total cpu time spent up to now is 102.0 secs Computing kpt #: 65 total cpu time spent up to now is 103.4 secs Computing kpt #: 66 total cpu time spent up to now is 104.7 secs Computing kpt #: 67 total cpu time spent up to now is 106.0 secs Computing kpt #: 68 total cpu time spent up to now is 107.4 secs Computing kpt #: 69 total cpu time spent up to now is 108.8 secs Computing kpt #: 70 total cpu time spent up to now is 110.1 secs Computing kpt #: 71 total cpu time spent up to now is 111.4 secs Computing kpt #: 72 total cpu time spent up to now is 112.7 secs Computing kpt #: 73 total cpu time spent up to now is 114.0 secs Computing kpt #: 74 total cpu time spent up to now is 115.3 secs Computing kpt #: 75 total cpu time spent up to now is 116.6 secs Computing kpt #: 76 total cpu time spent up to now is 118.0 secs Computing kpt #: 77 total cpu time spent up to now is 119.4 secs Computing kpt #: 78 total cpu time spent up to now is 121.0 secs Computing kpt #: 79 total cpu time spent up to now is 122.5 secs Computing kpt #: 80 total cpu time spent up to now is 124.0 secs Computing kpt #: 81 total cpu time spent up to now is 125.5 secs Computing kpt #: 82 total cpu time spent up to now is 127.0 secs Computing kpt #: 83 total cpu time spent up to now is 128.5 secs Computing kpt #: 84 total cpu time spent up to now is 130.0 secs Computing kpt #: 85 total cpu time spent up to now is 131.6 secs Computing kpt #: 86 total cpu time spent up to now is 133.0 secs Computing kpt #: 87 total cpu time spent up to now is 134.5 secs Computing kpt #: 88 total cpu time spent up to now is 136.1 secs Computing kpt #: 89 total cpu time spent up to now is 137.7 secs Computing kpt #: 90 total cpu time spent up to now is 139.2 secs Computing kpt #: 91 total cpu time spent up to now is 140.8 secs Computing kpt #: 92 total cpu time spent up to now is 142.3 secs Computing kpt #: 93 total cpu time spent up to now is 143.8 secs Computing kpt #: 94 total cpu time spent up to now is 145.2 secs Computing kpt #: 95 total cpu time spent up to now is 146.8 secs Computing kpt #: 96 total cpu time spent up to now is 148.3 secs Computing kpt #: 97 total cpu time spent up to now is 149.7 secs Computing kpt #: 98 total cpu time spent up to now is 151.2 secs Computing kpt #: 99 total cpu time spent up to now is 152.7 secs Computing kpt #: 100 total cpu time spent up to now is 154.2 secs Computing kpt #: 101 total cpu time spent up to now is 155.8 secs Computing kpt #: 102 total cpu time spent up to now is 157.2 secs Computing kpt #: 103 total cpu time spent up to now is 158.7 secs Computing kpt #: 104 total cpu time spent up to now is 160.2 secs Computing kpt #: 105 total cpu time spent up to now is 161.8 secs Computing kpt #: 106 total cpu time spent up to now is 163.4 secs Computing kpt #: 107 total cpu time spent up to now is 164.9 secs Computing kpt #: 108 total cpu time spent up to now is 166.4 secs Computing kpt #: 109 total cpu time spent up to now is 168.0 secs Computing kpt #: 110 total cpu time spent up to now is 169.6 secs Computing kpt #: 111 total cpu time spent up to now is 171.1 secs Computing kpt #: 112 total cpu time spent up to now is 172.6 secs Computing kpt #: 113 total cpu time spent up to now is 174.1 secs Computing kpt #: 114 total cpu time spent up to now is 175.7 secs Computing kpt #: 115 total cpu time spent up to now is 177.2 secs Computing kpt #: 116 total cpu time spent up to now is 178.7 secs Computing kpt #: 117 total cpu time spent up to now is 180.2 secs Computing kpt #: 118 total cpu time spent up to now is 181.7 secs Computing kpt #: 119 total cpu time spent up to now is 183.3 secs Computing kpt #: 120 total cpu time spent up to now is 184.9 secs Computing kpt #: 121 total cpu time spent up to now is 186.4 secs Computing kpt #: 122 total cpu time spent up to now is 188.0 secs Computing kpt #: 123 total cpu time spent up to now is 189.5 secs Computing kpt #: 124 total cpu time spent up to now is 191.1 secs Computing kpt #: 125 total cpu time spent up to now is 192.6 secs Computing kpt #: 126 total cpu time spent up to now is 194.2 secs Computing kpt #: 127 total cpu time spent up to now is 195.7 secs Computing kpt #: 128 total cpu time spent up to now is 197.2 secs Computing kpt #: 129 total cpu time spent up to now is 198.8 secs Computing kpt #: 130 total cpu time spent up to now is 200.2 secs Computing kpt #: 131 total cpu time spent up to now is 201.7 secs Computing kpt #: 132 total cpu time spent up to now is 203.2 secs Computing kpt #: 133 total cpu time spent up to now is 204.8 secs Computing kpt #: 134 total cpu time spent up to now is 206.3 secs Computing kpt #: 135 total cpu time spent up to now is 207.8 secs Computing kpt #: 136 total cpu time spent up to now is 209.3 secs Computing kpt #: 137 total cpu time spent up to now is 210.9 secs Computing kpt #: 138 total cpu time spent up to now is 212.4 secs Computing kpt #: 139 total cpu time spent up to now is 213.9 secs Computing kpt #: 140 total cpu time spent up to now is 215.4 secs Computing kpt #: 141 total cpu time spent up to now is 216.8 secs Computing kpt #: 142 total cpu time spent up to now is 218.3 secs Computing kpt #: 143 total cpu time spent up to now is 219.8 secs Computing kpt #: 144 total cpu time spent up to now is 221.2 secs Computing kpt #: 145 total cpu time spent up to now is 222.8 secs Computing kpt #: 146 total cpu time spent up to now is 224.3 secs Computing kpt #: 147 total cpu time spent up to now is 225.9 secs Computing kpt #: 148 total cpu time spent up to now is 227.4 secs Computing kpt #: 149 total cpu time spent up to now is 228.9 secs Computing kpt #: 150 total cpu time spent up to now is 230.4 secs Computing kpt #: 151 total cpu time spent up to now is 231.8 secs Computing kpt #: 152 total cpu time spent up to now is 233.4 secs Computing kpt #: 153 total cpu time spent up to now is 234.8 secs Computing kpt #: 154 total cpu time spent up to now is 236.3 secs Computing kpt #: 155 total cpu time spent up to now is 237.8 secs Computing kpt #: 156 total cpu time spent up to now is 239.3 secs Computing kpt #: 157 total cpu time spent up to now is 240.8 secs Computing kpt #: 158 total cpu time spent up to now is 242.2 secs Computing kpt #: 159 total cpu time spent up to now is 243.7 secs Computing kpt #: 160 total cpu time spent up to now is 245.3 secs Computing kpt #: 161 total cpu time spent up to now is 246.8 secs Computing kpt #: 162 total cpu time spent up to now is 248.2 secs Computing kpt #: 163 total cpu time spent up to now is 249.8 secs Computing kpt #: 164 total cpu time spent up to now is 251.4 secs Computing kpt #: 165 total cpu time spent up to now is 252.9 secs Computing kpt #: 166 total cpu time spent up to now is 254.4 secs Computing kpt #: 167 total cpu time spent up to now is 256.0 secs Computing kpt #: 168 total cpu time spent up to now is 257.7 secs Computing kpt #: 169 total cpu time spent up to now is 259.2 secs Computing kpt #: 170 total cpu time spent up to now is 260.8 secs Computing kpt #: 171 total cpu time spent up to now is 262.4 secs Computing kpt #: 172 total cpu time spent up to now is 264.0 secs Computing kpt #: 173 total cpu time spent up to now is 265.5 secs Computing kpt #: 174 total cpu time spent up to now is 267.0 secs Computing kpt #: 175 total cpu time spent up to now is 268.6 secs Computing kpt #: 176 total cpu time spent up to now is 270.1 secs Computing kpt #: 177 total cpu time spent up to now is 271.8 secs Computing kpt #: 178 total cpu time spent up to now is 273.4 secs Computing kpt #: 179 total cpu time spent up to now is 274.9 secs Computing kpt #: 180 total cpu time spent up to now is 276.4 secs Computing kpt #: 181 total cpu time spent up to now is 277.9 secs Computing kpt #: 182 total cpu time spent up to now is 279.3 secs Computing kpt #: 183 total cpu time spent up to now is 280.9 secs Computing kpt #: 184 total cpu time spent up to now is 282.4 secs Computing kpt #: 185 total cpu time spent up to now is 283.9 secs Computing kpt #: 186 total cpu time spent up to now is 285.3 secs Computing kpt #: 187 total cpu time spent up to now is 286.7 secs Computing kpt #: 188 total cpu time spent up to now is 288.0 secs Computing kpt #: 189 total cpu time spent up to now is 289.4 secs Computing kpt #: 190 total cpu time spent up to now is 290.8 secs Computing kpt #: 191 total cpu time spent up to now is 292.2 secs Computing kpt #: 192 total cpu time spent up to now is 293.6 secs Computing kpt #: 193 total cpu time spent up to now is 294.9 secs Computing kpt #: 194 total cpu time spent up to now is 296.4 secs Computing kpt #: 195 total cpu time spent up to now is 297.8 secs Computing kpt #: 196 total cpu time spent up to now is 299.1 secs Computing kpt #: 197 total cpu time spent up to now is 300.5 secs Computing kpt #: 198 total cpu time spent up to now is 302.0 secs Computing kpt #: 199 total cpu time spent up to now is 303.5 secs Computing kpt #: 200 total cpu time spent up to now is 305.0 secs Computing kpt #: 201 total cpu time spent up to now is 306.5 secs Computing kpt #: 202 total cpu time spent up to now is 308.0 secs Computing kpt #: 203 total cpu time spent up to now is 310.1 secs Computing kpt #: 204 total cpu time spent up to now is 311.6 secs Computing kpt #: 205 total cpu time spent up to now is 313.2 secs Computing kpt #: 206 total cpu time spent up to now is 314.8 secs Computing kpt #: 207 total cpu time spent up to now is 316.4 secs Computing kpt #: 208 total cpu time spent up to now is 318.0 secs Computing kpt #: 209 total cpu time spent up to now is 319.5 secs Computing kpt #: 210 total cpu time spent up to now is 320.9 secs Computing kpt #: 211 total cpu time spent up to now is 322.4 secs Computing kpt #: 212 total cpu time spent up to now is 323.9 secs Computing kpt #: 213 total cpu time spent up to now is 325.4 secs Computing kpt #: 214 total cpu time spent up to now is 326.8 secs Computing kpt #: 215 total cpu time spent up to now is 328.3 secs Computing kpt #: 216 total cpu time spent up to now is 329.9 secs Computing kpt #: 217 total cpu time spent up to now is 331.4 secs Computing kpt #: 218 total cpu time spent up to now is 332.9 secs Computing kpt #: 219 total cpu time spent up to now is 334.5 secs Computing kpt #: 220 total cpu time spent up to now is 336.0 secs ethr = 1.79E-08, avg # of iterations = 16.2 total cpu time spent up to now is 336.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 10901 PWs) bands (ev): -12.4198 -12.4198 -12.1596 -12.1596 -10.9786 -10.9786 -10.9505 -10.9505 -10.9165 -10.9165 -10.8559 -10.8559 -10.8498 -10.8498 -10.7761 -10.7761 -5.5361 -5.5361 -5.1216 -5.1216 -3.0118 -3.0118 -2.8410 -2.8410 -2.6561 -2.6561 -2.5876 -2.5876 -2.4547 -2.4547 -2.2564 -2.2564 -1.1453 -1.1453 -0.9568 -0.9568 -0.9287 -0.9287 -0.7448 -0.7448 -0.6622 -0.6622 -0.5534 -0.5534 -0.3392 -0.3392 -0.3322 -0.3322 -0.0825 -0.0825 0.1128 0.1128 0.1401 0.1401 0.2040 0.2040 0.3219 0.3219 0.3714 0.3714 0.4101 0.4101 0.5122 0.5122 4.5281 4.5281 5.0176 5.0176 k = 0.0000 0.0000 0.0245 ( 10905 PWs) bands (ev): -12.4195 -12.4195 -12.1597 -12.1597 -10.9785 -10.9785 -10.9504 -10.9504 -10.9169 -10.9169 -10.8560 -10.8560 -10.8498 -10.8498 -10.7761 -10.7761 -5.5356 -5.5356 -5.1219 -5.1219 -3.0116 -3.0116 -2.8409 -2.8409 -2.6554 -2.6554 -2.5876 -2.5876 -2.4544 -2.4544 -2.2571 -2.2571 -1.1450 -1.1450 -0.9576 -0.9576 -0.9302 -0.9302 -0.7447 -0.7447 -0.6599 -0.6599 -0.5529 -0.5529 -0.3426 -0.3426 -0.3270 -0.3270 -0.0825 -0.0825 0.1106 0.1106 0.1425 0.1425 0.2016 0.2016 0.3212 0.3212 0.3700 0.3700 0.4102 0.4102 0.5127 0.5127 4.5290 4.5290 5.0179 5.0179 k = 0.0000 0.0000 0.0490 ( 10909 PWs) bands (ev): -12.4186 -12.4186 -12.1602 -12.1602 -10.9783 -10.9783 -10.9501 -10.9501 -10.9183 -10.9183 -10.8562 -10.8562 -10.8496 -10.8496 -10.7761 -10.7761 -5.5340 -5.5340 -5.1227 -5.1227 -3.0112 -3.0112 -2.8406 -2.8406 -2.6534 -2.6534 -2.5877 -2.5877 -2.4535 -2.4535 -2.2592 -2.2592 -1.1442 -1.1442 -0.9600 -0.9600 -0.9347 -0.9347 -0.7447 -0.7447 -0.6532 -0.6532 -0.5515 -0.5515 -0.3464 -0.3464 -0.3176 -0.3176 -0.0826 -0.0826 0.1055 0.1055 0.1479 0.1479 0.1945 0.1945 0.3189 0.3189 0.3660 0.3660 0.4101 0.4101 0.5140 0.5140 4.5317 4.5317 5.0186 5.0186 k = 0.0000 0.0000 0.0735 ( 10913 PWs) bands (ev): -12.4173 -12.4173 -12.1609 -12.1609 -10.9779 -10.9779 -10.9495 -10.9495 -10.9206 -10.9206 -10.8566 -10.8566 -10.8494 -10.8494 -10.7761 -10.7761 -5.5315 -5.5315 -5.1240 -5.1240 -3.0104 -3.0104 -2.8402 -2.8402 -2.6500 -2.6500 -2.5879 -2.5879 -2.4520 -2.4520 -2.2626 -2.2626 -1.1429 -1.1429 -0.9640 -0.9640 -0.9414 -0.9414 -0.7448 -0.7448 -0.6425 -0.6425 -0.5490 -0.5490 -0.3485 -0.3485 -0.3063 -0.3063 -0.0828 -0.0828 0.0994 0.0994 0.1530 0.1530 0.1839 0.1839 0.3152 0.3152 0.3602 0.3602 0.4095 0.4095 0.5163 0.5163 4.5360 4.5360 5.0199 5.0199 k = 0.0000 0.0000 0.0980 ( 10904 PWs) bands (ev): -12.4153 -12.4153 -12.1620 -12.1620 -10.9774 -10.9774 -10.9487 -10.9487 -10.9236 -10.9236 -10.8571 -10.8571 -10.8491 -10.8491 -10.7761 -10.7761 -5.5280 -5.5280 -5.1258 -5.1258 -3.0093 -3.0093 -2.8396 -2.8396 -2.6453 -2.6453 -2.5882 -2.5882 -2.4498 -2.4498 -2.2672 -2.2672 -1.1410 -1.1410 -0.9694 -0.9694 -0.9496 -0.9496 -0.7451 -0.7451 -0.6286 -0.6286 -0.5457 -0.5457 -0.3489 -0.3489 -0.2933 -0.2933 -0.0833 -0.0833 0.0933 0.0933 0.1498 0.1498 0.1769 0.1769 0.3103 0.3103 0.3533 0.3533 0.4079 0.4079 0.5194 0.5194 4.5415 4.5415 5.0216 5.0216 k = 0.0000 0.0000 0.1225 ( 10899 PWs) bands (ev): -12.4129 -12.4129 -12.1634 -12.1634 -10.9767 -10.9767 -10.9478 -10.9478 -10.9272 -10.9272 -10.8577 -10.8577 -10.8489 -10.8489 -10.7761 -10.7761 -5.5235 -5.5235 -5.1281 -5.1281 -3.0081 -3.0081 -2.8389 -2.8389 -2.6393 -2.6393 -2.5884 -2.5884 -2.4471 -2.4471 -2.2731 -2.2731 -1.1387 -1.1387 -0.9764 -0.9764 -0.9581 -0.9581 -0.7457 -0.7457 -0.6121 -0.6121 -0.5414 -0.5414 -0.3477 -0.3477 -0.2790 -0.2790 -0.0842 -0.0842 0.0875 0.0875 0.1311 0.1311 0.1807 0.1807 0.3042 0.3042 0.3459 0.3459 0.4052 0.4052 0.5235 0.5235 4.5478 4.5478 5.0238 5.0238 k = 0.0000 0.0000 0.1470 ( 10891 PWs) bands (ev): -12.4099 -12.4099 -12.1650 -12.1650 -10.9760 -10.9760 -10.9467 -10.9467 -10.9313 -10.9313 -10.8585 -10.8585 -10.8488 -10.8488 -10.7762 -10.7762 -5.5181 -5.5181 -5.1310 -5.1310 -3.0066 -3.0066 -2.8380 -2.8380 -2.6321 -2.6321 -2.5887 -2.5887 -2.4439 -2.4439 -2.2801 -2.2801 -1.1360 -1.1360 -0.9849 -0.9849 -0.9662 -0.9662 -0.7468 -0.7468 -0.5937 -0.5937 -0.5362 -0.5362 -0.3450 -0.3450 -0.2636 -0.2636 -0.0858 -0.0858 0.0819 0.0819 0.1043 0.1043 0.1882 0.1882 0.2968 0.2968 0.3385 0.3385 0.4015 0.4015 0.5286 0.5286 4.5545 4.5545 5.0263 5.0263 k = 0.0000 0.0000 0.1715 ( 10884 PWs) bands (ev): -12.4065 -12.4065 -12.1670 -12.1670 -10.9750 -10.9750 -10.9456 -10.9456 -10.9357 -10.9357 -10.8593 -10.8593 -10.8488 -10.8488 -10.7763 -10.7763 -5.5119 -5.5119 -5.1344 -5.1344 -3.0050 -3.0050 -2.8371 -2.8371 -2.6236 -2.6236 -2.5889 -2.5889 -2.4402 -2.4402 -2.2880 -2.2880 -1.1328 -1.1328 -0.9947 -0.9947 -0.9732 -0.9732 -0.7484 -0.7484 -0.5740 -0.5740 -0.5301 -0.5301 -0.3411 -0.3411 -0.2475 -0.2475 -0.0882 -0.0882 0.0673 0.0673 0.0821 0.0821 0.1963 0.1963 0.2879 0.2879 0.3314 0.3314 0.3968 0.3968 0.5346 0.5346 4.5609 4.5609 5.0292 5.0292 k = 0.0000 0.0000 0.1960 ( 10881 PWs) bands (ev): -12.4027 -12.4027 -12.1692 -12.1692 -10.9740 -10.9740 -10.9452 -10.9452 -10.9394 -10.9394 -10.8603 -10.8603 -10.8490 -10.8490 -10.7765 -10.7765 -5.5049 -5.5049 -5.1383 -5.1383 -3.0033 -3.0033 -2.8361 -2.8361 -2.6140 -2.6140 -2.5891 -2.5891 -2.4361 -2.4361 -2.2968 -2.2968 -1.1293 -1.1293 -1.0054 -1.0054 -0.9789 -0.9789 -0.7504 -0.7504 -0.5536 -0.5536 -0.5227 -0.5227 -0.3363 -0.3363 -0.2309 -0.2309 -0.0915 -0.0915 0.0323 0.0323 0.0771 0.0771 0.2042 0.2042 0.2777 0.2777 0.3250 0.3250 0.3913 0.3913 0.5415 0.5415 4.5666 4.5666 5.0323 5.0323 k = 0.0000 0.0000 0.2205 ( 10881 PWs) bands (ev): -12.3984 -12.3984 -12.1718 -12.1718 -10.9729 -10.9729 -10.9478 -10.9478 -10.9401 -10.9401 -10.8614 -10.8614 -10.8494 -10.8494 -10.7768 -10.7768 -5.4971 -5.4971 -5.1428 -5.1428 -3.0015 -3.0015 -2.8351 -2.8351 -2.6033 -2.6033 -2.5892 -2.5892 -2.4316 -2.4316 -2.3063 -2.3063 -1.1255 -1.1255 -1.0162 -1.0162 -0.9834 -0.9834 -0.7529 -0.7529 -0.5339 -0.5339 -0.5134 -0.5134 -0.3309 -0.3309 -0.2143 -0.2143 -0.0959 -0.0959 -0.0073 -0.0073 0.0749 0.0749 0.2112 0.2112 0.2665 0.2665 0.3196 0.3196 0.3851 0.3851 0.5493 0.5493 4.5712 4.5712 5.0357 5.0357 k = 0.0000 0.0000 0.2450 ( 10886 PWs) bands (ev): -12.3938 -12.3938 -12.1746 -12.1746 -10.9717 -10.9717 -10.9525 -10.9525 -10.9387 -10.9387 -10.8625 -10.8625 -10.8499 -10.8499 -10.7771 -10.7771 -5.4887 -5.4887 -5.1477 -5.1477 -2.9997 -2.9997 -2.8341 -2.8341 -2.5919 -2.5919 -2.5891 -2.5891 -2.4267 -2.4267 -2.3163 -2.3163 -1.1215 -1.1215 -1.0270 -1.0270 -0.9867 -0.9867 -0.7558 -0.7558 -0.5175 -0.5175 -0.4997 -0.4997 -0.3255 -0.3255 -0.1984 -0.1984 -0.1015 -0.1015 -0.0488 -0.0488 0.0739 0.0739 0.2165 0.2165 0.2554 0.2554 0.3149 0.3149 0.3784 0.3784 0.5579 0.5579 4.5742 4.5742 5.0394 5.0394 k = 0.0000 0.0000 0.2695 ( 10898 PWs) bands (ev): -12.3889 -12.3889 -12.1776 -12.1776 -10.9704 -10.9704 -10.9575 -10.9575 -10.9367 -10.9367 -10.8638 -10.8638 -10.8507 -10.8507 -10.7776 -10.7776 -5.4797 -5.4797 -5.1532 -5.1532 -2.9980 -2.9980 -2.8331 -2.8331 -2.5889 -2.5889 -2.5796 -2.5796 -2.4216 -2.4216 -2.3267 -2.3267 -1.1174 -1.1174 -1.0373 -1.0373 -0.9886 -0.9886 -0.7590 -0.7590 -0.5055 -0.5055 -0.4809 -0.4809 -0.3205 -0.3205 -0.1848 -0.1848 -0.1085 -0.1085 -0.0896 -0.0896 0.0740 0.0740 0.2182 0.2182 0.2466 0.2466 0.3111 0.3111 0.3713 0.3713 0.5671 0.5671 4.5756 4.5756 5.0431 5.0431 k = 0.0000 0.0000 0.2940 ( 10907 PWs) bands (ev): -12.3838 -12.3838 -12.1809 -12.1809 -10.9692 -10.9692 -10.9626 -10.9626 -10.9346 -10.9346 -10.8650 -10.8650 -10.8516 -10.8516 -10.7781 -10.7781 -5.4702 -5.4702 -5.1591 -5.1591 -2.9962 -2.9962 -2.8322 -2.8322 -2.5885 -2.5885 -2.5669 -2.5669 -2.4163 -2.4163 -2.3372 -2.3372 -1.1132 -1.1132 -1.0470 -1.0470 -0.9890 -0.9890 -0.7621 -0.7621 -0.4951 -0.4951 -0.4600 -0.4600 -0.3170 -0.3170 -0.1804 -0.1804 -0.1254 -0.1254 -0.1134 -0.1134 0.0750 0.0750 0.2135 0.2135 0.2433 0.2433 0.3081 0.3081 0.3637 0.3637 0.5768 0.5768 4.5751 4.5751 5.0469 5.0469 k = 0.0000 0.0000 0.3185 ( 10907 PWs) bands (ev): -12.3785 -12.3785 -12.1844 -12.1844 -10.9682 -10.9682 -10.9671 -10.9671 -10.9322 -10.9322 -10.8663 -10.8663 -10.8527 -10.8527 -10.7787 -10.7787 -5.4604 -5.4604 -5.1655 -5.1655 -2.9945 -2.9945 -2.8313 -2.8313 -2.5879 -2.5879 -2.5541 -2.5541 -2.4108 -2.4108 -2.3479 -2.3479 -1.1089 -1.1089 -1.0560 -1.0560 -0.9880 -0.9880 -0.7650 -0.7650 -0.4848 -0.4848 -0.4387 -0.4387 -0.3167 -0.3167 -0.2011 -0.2011 -0.1334 -0.1334 -0.1213 -0.1213 0.0767 0.0767 0.2043 0.2043 0.2442 0.2442 0.3057 0.3057 0.3559 0.3559 0.5869 0.5869 4.5728 4.5728 5.0507 5.0507 k = 0.0000 0.0000 0.3430 ( 10906 PWs) bands (ev): -12.3732 -12.3732 -12.1879 -12.1879 -10.9723 -10.9723 -10.9664 -10.9664 -10.9298 -10.9298 -10.8675 -10.8675 -10.8539 -10.8539 -10.7793 -10.7793 -5.4504 -5.4504 -5.1722 -5.1722 -2.9929 -2.9929 -2.8305 -2.8305 -2.5870 -2.5870 -2.5413 -2.5413 -2.4054 -2.4054 -2.3583 -2.3583 -1.1047 -1.1047 -1.0643 -1.0643 -0.9856 -0.9856 -0.7673 -0.7673 -0.4744 -0.4744 -0.4178 -0.4178 -0.3235 -0.3235 -0.2330 -0.2330 -0.1347 -0.1347 -0.1207 -0.1207 0.0789 0.0789 0.1945 0.1945 0.2460 0.2460 0.3039 0.3039 0.3479 0.3479 0.5971 0.5971 4.5691 4.5691 5.0543 5.0543 k = 0.0000 0.0000 0.3675 ( 10909 PWs) bands (ev): -12.3678 -12.3678 -12.1916 -12.1916 -10.9767 -10.9767 -10.9652 -10.9652 -10.9274 -10.9274 -10.8688 -10.8688 -10.8553 -10.8553 -10.7799 -10.7799 -5.4403 -5.4403 -5.1791 -5.1791 -2.9915 -2.9915 -2.8298 -2.8298 -2.5860 -2.5860 -2.5288 -2.5288 -2.3999 -2.3999 -2.3685 -2.3685 -1.1007 -1.1007 -1.0718 -1.0718 -0.9820 -0.9820 -0.7684 -0.7684 -0.4639 -0.4639 -0.3976 -0.3976 -0.3441 -0.3441 -0.2560 -0.2560 -0.1430 -0.1430 -0.1112 -0.1112 0.0815 0.0815 0.1856 0.1856 0.2477 0.2477 0.3026 0.3026 0.3398 0.3398 0.6072 0.6072 4.5641 4.5641 5.0577 5.0577 k = 0.0000 0.0000 0.3920 ( 10911 PWs) bands (ev): -12.3626 -12.3626 -12.1953 -12.1953 -10.9807 -10.9807 -10.9640 -10.9640 -10.9249 -10.9249 -10.8700 -10.8700 -10.8568 -10.8568 -10.7805 -10.7805 -5.4303 -5.4303 -5.1861 -5.1861 -2.9901 -2.9901 -2.8292 -2.8292 -2.5848 -2.5848 -2.5171 -2.5171 -2.3947 -2.3947 -2.3780 -2.3780 -1.0970 -1.0970 -1.0784 -1.0784 -0.9774 -0.9774 -0.7678 -0.7678 -0.4537 -0.4537 -0.3806 -0.3806 -0.3759 -0.3759 -0.2669 -0.2669 -0.1525 -0.1525 -0.1015 -0.1015 0.0842 0.0842 0.1786 0.1786 0.2490 0.2490 0.3013 0.3013 0.3319 0.3319 0.6168 0.6168 4.5584 4.5584 5.0607 5.0607 k = 0.0000 0.0000 0.4165 ( 10923 PWs) bands (ev): -12.3576 -12.3576 -12.1988 -12.1988 -10.9843 -10.9843 -10.9628 -10.9628 -10.9225 -10.9225 -10.8711 -10.8711 -10.8583 -10.8583 -10.7811 -10.7811 -5.4207 -5.4207 -5.1931 -5.1931 -2.9889 -2.9889 -2.8287 -2.8287 -2.5835 -2.5835 -2.5063 -2.5063 -2.3905 -2.3905 -2.3861 -2.3861 -1.0936 -1.0936 -1.0839 -1.0839 -0.9723 -0.9723 -0.7649 -0.7649 -0.4457 -0.4457 -0.4172 -0.4172 -0.3597 -0.3597 -0.2718 -0.2718 -0.1625 -0.1625 -0.0929 -0.0929 0.0870 0.0870 0.1736 0.1736 0.2500 0.2500 0.2999 0.2999 0.3245 0.3245 0.6258 0.6258 4.5523 4.5523 5.0634 5.0634 k = 0.0000 0.0000 0.4410 ( 10916 PWs) bands (ev): -12.3529 -12.3529 -12.2022 -12.2022 -10.9874 -10.9874 -10.9618 -10.9618 -10.9203 -10.9203 -10.8721 -10.8721 -10.8598 -10.8598 -10.7816 -10.7816 -5.4116 -5.4116 -5.1998 -5.1998 -2.9878 -2.9878 -2.8282 -2.8282 -2.5822 -2.5822 -2.4968 -2.4968 -2.3954 -2.3954 -2.3844 -2.3844 -1.0916 -1.0916 -1.0878 -1.0878 -0.9671 -0.9671 -0.7589 -0.7589 -0.4669 -0.4669 -0.4286 -0.4286 -0.3428 -0.3428 -0.2749 -0.2749 -0.1725 -0.1725 -0.0858 -0.0858 0.0896 0.0896 0.1706 0.1706 0.2509 0.2509 0.2975 0.2975 0.3183 0.3183 0.6339 0.6339 4.5462 4.5462 5.0656 5.0656 k = 0.0000 0.0000 0.4655 ( 10923 PWs) bands (ev): -12.3488 -12.3488 -12.2052 -12.2052 -10.9901 -10.9901 -10.9609 -10.9609 -10.9183 -10.9183 -10.8729 -10.8729 -10.8612 -10.8612 -10.7821 -10.7821 -5.4035 -5.4035 -5.2060 -5.2060 -2.9870 -2.9870 -2.8279 -2.8279 -2.5808 -2.5808 -2.4888 -2.4888 -2.4022 -2.4022 -2.3804 -2.3804 -1.0938 -1.0938 -1.0869 -1.0869 -0.9624 -0.9624 -0.7493 -0.7493 -0.5076 -0.5076 -0.4206 -0.4206 -0.3277 -0.3277 -0.2773 -0.2773 -0.1824 -0.1824 -0.0802 -0.0802 0.0919 0.0919 0.1694 0.1694 0.2519 0.2519 0.2936 0.2936 0.3140 0.3140 0.6409 0.6409 4.5406 4.5406 5.0674 5.0674 k = 0.0000 0.0000 0.4900 ( 10929 PWs) bands (ev): -12.3454 -12.3454 -12.2078 -12.2078 -10.9921 -10.9921 -10.9602 -10.9602 -10.9166 -10.9166 -10.8736 -10.8736 -10.8624 -10.8624 -10.7825 -10.7825 -5.3966 -5.3966 -5.2114 -5.2114 -2.9862 -2.9862 -2.8277 -2.8277 -2.5797 -2.5797 -2.4824 -2.4824 -2.4077 -2.4077 -2.3770 -2.3770 -1.0967 -1.0967 -1.0850 -1.0850 -0.9584 -0.9584 -0.7358 -0.7358 -0.5474 -0.5474 -0.4125 -0.4125 -0.3152 -0.3152 -0.2790 -0.2790 -0.1918 -0.1918 -0.0761 -0.0761 0.0938 0.0938 0.1694 0.1694 0.2533 0.2533 0.2885 0.2885 0.3115 0.3115 0.6465 0.6465 4.5359 4.5359 5.0688 5.0688 k = 0.0000 0.0000 0.5145 ( 10934 PWs) bands (ev): -12.3429 -12.3429 -12.2098 -12.2098 -10.9936 -10.9936 -10.9596 -10.9596 -10.9152 -10.9152 -10.8742 -10.8742 -10.8634 -10.8634 -10.7828 -10.7828 -5.3912 -5.3912 -5.2156 -5.2156 -2.9857 -2.9857 -2.8275 -2.8275 -2.5787 -2.5787 -2.4778 -2.4778 -2.4118 -2.4118 -2.3743 -2.3743 -1.0988 -1.0988 -1.0835 -1.0835 -0.9555 -0.9555 -0.7186 -0.7186 -0.5840 -0.5840 -0.4060 -0.4060 -0.3064 -0.3064 -0.2792 -0.2792 -0.2001 -0.2001 -0.0733 -0.0733 0.0953 0.0953 0.1700 0.1700 0.2550 0.2550 0.2832 0.2832 0.3103 0.3103 0.6507 0.6507 4.5323 4.5323 5.0698 5.0698 k = 0.0000 0.0000 0.5390 ( 10932 PWs) bands (ev): -12.3413 -12.3413 -12.2110 -12.2110 -10.9945 -10.9945 -10.9593 -10.9593 -10.9144 -10.9144 -10.8745 -10.8745 -10.8640 -10.8640 -10.7830 -10.7830 -5.3879 -5.3879 -5.2183 -5.2183 -2.9854 -2.9854 -2.8274 -2.8274 -2.5781 -2.5781 -2.4750 -2.4750 -2.4143 -2.4143 -2.3727 -2.3727 -1.1001 -1.1001 -1.0826 -1.0826 -0.9538 -0.9538 -0.7000 -0.7000 -0.6145 -0.6145 -0.4017 -0.4017 -0.3021 -0.3021 -0.2775 -0.2775 -0.2060 -0.2060 -0.0717 -0.0717 0.0961 0.0961 0.1707 0.1707 0.2568 0.2568 0.2789 0.2789 0.3097 0.3097 0.6532 0.6532 4.5300 4.5300 5.0704 5.0704 k = 0.0000 0.0000 0.5635 ( 10928 PWs) bands (ev): -12.3407 -12.3407 -12.2114 -12.2114 -10.9948 -10.9948 -10.9592 -10.9592 -10.9141 -10.9141 -10.8746 -10.8746 -10.8642 -10.8642 -10.7830 -10.7830 -5.3867 -5.3867 -5.2192 -5.2192 -2.9853 -2.9853 -2.8273 -2.8273 -2.5779 -2.5779 -2.4741 -2.4741 -2.4151 -2.4151 -2.3722 -2.3722 -1.1006 -1.1006 -1.0823 -1.0823 -0.9532 -0.9532 -0.6894 -0.6894 -0.6291 -0.6291 -0.4001 -0.4001 -0.3011 -0.3011 -0.2764 -0.2764 -0.2083 -0.2083 -0.0711 -0.0711 0.0964 0.0964 0.1709 0.1709 0.2576 0.2576 0.2772 0.2772 0.3096 0.3096 0.6541 0.6541 4.5293 4.5293 5.0706 5.0706 k = 0.0000 0.0000 0.5635 ( 10928 PWs) bands (ev): -12.3407 -12.3407 -12.2114 -12.2114 -10.9948 -10.9948 -10.9592 -10.9592 -10.9141 -10.9141 -10.8746 -10.8746 -10.8642 -10.8642 -10.7830 -10.7830 -5.3867 -5.3867 -5.2192 -5.2192 -2.9853 -2.9853 -2.8273 -2.8273 -2.5779 -2.5779 -2.4741 -2.4741 -2.4151 -2.4151 -2.3722 -2.3722 -1.1006 -1.1006 -1.0823 -1.0823 -0.9532 -0.9532 -0.6894 -0.6894 -0.6291 -0.6291 -0.4001 -0.4001 -0.3011 -0.3011 -0.2764 -0.2764 -0.2083 -0.2083 -0.0711 -0.0711 0.0964 0.0964 0.1709 0.1709 0.2576 0.2576 0.2772 0.2772 0.3096 0.3096 0.6541 0.6541 4.5293 4.5293 5.0706 5.0706 k = 0.0000 0.0239 0.5635 ( 10921 PWs) bands (ev): -12.3403 -12.3403 -12.2112 -12.2112 -10.9947 -10.9947 -10.9591 -10.9591 -10.9148 -10.9148 -10.8747 -10.8747 -10.8646 -10.8646 -10.7831 -10.7831 -5.3866 -5.3866 -5.2194 -5.2194 -2.9836 -2.9836 -2.8257 -2.8257 -2.5811 -2.5811 -2.4766 -2.4766 -2.4122 -2.4122 -2.3690 -2.3690 -1.1274 -1.1274 -1.0564 -1.0564 -0.9543 -0.9543 -0.6911 -0.6911 -0.6305 -0.6305 -0.4004 -0.4004 -0.3014 -0.3014 -0.2770 -0.2770 -0.2037 -0.2037 -0.0712 -0.0712 0.0969 0.0969 0.1691 0.1691 0.2555 0.2555 0.2790 0.2790 0.3113 0.3113 0.6536 0.6536 4.5294 4.5294 5.0692 5.0692 k = 0.0000 0.0479 0.5635 ( 10926 PWs) bands (ev): -12.3392 -12.3392 -12.2104 -12.2104 -10.9945 -10.9945 -10.9589 -10.9589 -10.9169 -10.9169 -10.8748 -10.8748 -10.8657 -10.8657 -10.7835 -10.7835 -5.3862 -5.3862 -5.2198 -5.2198 -2.9785 -2.9785 -2.8208 -2.8208 -2.5900 -2.5900 -2.4834 -2.4834 -2.4041 -2.4041 -2.3604 -2.3604 -1.1622 -1.1622 -1.0242 -1.0242 -0.9576 -0.9576 -0.6961 -0.6961 -0.6345 -0.6345 -0.4010 -0.4010 -0.3037 -0.3037 -0.2760 -0.2760 -0.1916 -0.1916 -0.0713 -0.0713 0.0982 0.0982 0.1638 0.1638 0.2503 0.2503 0.2837 0.2837 0.3159 0.3159 0.6521 0.6521 4.5297 4.5297 5.0650 5.0650 k = 0.0000 0.0718 0.5635 ( 10914 PWs) bands (ev): -12.3374 -12.3374 -12.2091 -12.2091 -10.9941 -10.9941 -10.9584 -10.9584 -10.9203 -10.9203 -10.8752 -10.8752 -10.8675 -10.8675 -10.7841 -10.7841 -5.3855 -5.3855 -5.2205 -5.2205 -2.9700 -2.9700 -2.8127 -2.8127 -2.6030 -2.6030 -2.4930 -2.4930 -2.3918 -2.3918 -2.3482 -2.3482 -1.1979 -1.1979 -0.9931 -0.9931 -0.9631 -0.9631 -0.7044 -0.7044 -0.6409 -0.6409 -0.4018 -0.4018 -0.3089 -0.3089 -0.2705 -0.2705 -0.1748 -0.1748 -0.0714 -0.0714 0.1003 0.1003 0.1556 0.1556 0.2433 0.2433 0.2903 0.2903 0.3226 0.3226 0.6497 0.6497 4.5302 4.5302 5.0583 5.0583 k = 0.0000 0.0958 0.5635 ( 10913 PWs) bands (ev): -12.3348 -12.3348 -12.2074 -12.2074 -10.9936 -10.9936 -10.9579 -10.9579 -10.9250 -10.9250 -10.8756 -10.8756 -10.8700 -10.8700 -10.7849 -10.7849 -5.3845 -5.3845 -5.2215 -5.2215 -2.9584 -2.9584 -2.8014 -2.8014 -2.6188 -2.6188 -2.5037 -2.5037 -2.3769 -2.3769 -2.3339 -2.3339 -1.2340 -1.2340 -0.9708 -0.9708 -0.9633 -0.9633 -0.7157 -0.7157 -0.6493 -0.6493 -0.4027 -0.4027 -0.3154 -0.3154 -0.2618 -0.2618 -0.1548 -0.1548 -0.0713 -0.0713 0.1033 0.1033 0.1451 0.1451 0.2353 0.2353 0.2983 0.2983 0.3306 0.3306 0.6462 0.6462 4.5308 4.5308 5.0492 5.0492 k = 0.0000 0.1197 0.5635 ( 10903 PWs) bands (ev): -12.3315 -12.3315 -12.2052 -12.2052 -10.9931 -10.9931 -10.9571 -10.9571 -10.9308 -10.9308 -10.8762 -10.8762 -10.8730 -10.8730 -10.7861 -10.7861 -5.3833 -5.3833 -5.2228 -5.2228 -2.9439 -2.9439 -2.7870 -2.7870 -2.6362 -2.6362 -2.5146 -2.5146 -2.3605 -2.3605 -2.3183 -2.3183 -1.2700 -1.2700 -0.9805 -0.9805 -0.9353 -0.9353 -0.7297 -0.7297 -0.6593 -0.6593 -0.4036 -0.4036 -0.3213 -0.3213 -0.2515 -0.2515 -0.1328 -0.1328 -0.0706 -0.0706 0.1070 0.1070 0.1328 0.1328 0.2266 0.2266 0.3073 0.3073 0.3395 0.3395 0.6419 0.6419 4.5314 4.5314 5.0383 5.0383 k = 0.0000 0.1436 0.5635 ( 10901 PWs) bands (ev): -12.3276 -12.3276 -12.2025 -12.2025 -10.9925 -10.9925 -10.9562 -10.9562 -10.9377 -10.9377 -10.8775 -10.8775 -10.8761 -10.8761 -10.7874 -10.7874 -5.3818 -5.3818 -5.2244 -5.2244 -2.9269 -2.9269 -2.7695 -2.7695 -2.6546 -2.6546 -2.5248 -2.5248 -2.3433 -2.3433 -2.3020 -2.3020 -1.3059 -1.3059 -0.9921 -0.9921 -0.9092 -0.9092 -0.7461 -0.7461 -0.6708 -0.6708 -0.4046 -0.4046 -0.3261 -0.3261 -0.2411 -0.2411 -0.1095 -0.1095 -0.0690 -0.0690 0.1114 0.1114 0.1193 0.1193 0.2175 0.2175 0.3170 0.3170 0.3490 0.3490 0.6366 0.6366 4.5317 4.5317 5.0258 5.0258 k = 0.0000 0.1676 0.5635 ( 10909 PWs) bands (ev): -12.3230 -12.3230 -12.1995 -12.1995 -10.9921 -10.9921 -10.9552 -10.9552 -10.9455 -10.9455 -10.8811 -10.8811 -10.8774 -10.8774 -10.7891 -10.7891 -5.3801 -5.3801 -5.2262 -5.2262 -2.9078 -2.9078 -2.7490 -2.7490 -2.6733 -2.6733 -2.5337 -2.5337 -2.3258 -2.3258 -2.2855 -2.2855 -1.3413 -1.3413 -1.0054 -1.0054 -0.8853 -0.8853 -0.7643 -0.7643 -0.6836 -0.6836 -0.4057 -0.4057 -0.3293 -0.3293 -0.2315 -0.2315 -0.0862 -0.0862 -0.0651 -0.0651 0.1044 0.1044 0.1168 0.1168 0.2082 0.2082 0.3270 0.3270 0.3590 0.3590 0.6305 0.6305 4.5316 4.5316 5.0125 5.0125 k = 0.0000 0.1915 0.5635 ( 10907 PWs) bands (ev): -12.3178 -12.3178 -12.1961 -12.1961 -10.9918 -10.9918 -10.9547 -10.9547 -10.9533 -10.9533 -10.8855 -10.8855 -10.8784 -10.8784 -10.7911 -10.7911 -5.3781 -5.3781 -5.2282 -5.2282 -2.8872 -2.8872 -2.7257 -2.7257 -2.6921 -2.6921 -2.5405 -2.5405 -2.3084 -2.3084 -2.2689 -2.2689 -1.3761 -1.3761 -1.0202 -1.0202 -0.8639 -0.8639 -0.7839 -0.7839 -0.6980 -0.6980 -0.4070 -0.4070 -0.3307 -0.3307 -0.2238 -0.2238 -0.0685 -0.0685 -0.0534 -0.0534 0.0892 0.0892 0.1223 0.1223 0.1991 0.1991 0.3374 0.3374 0.3694 0.3694 0.6236 0.6236 4.5310 4.5310 4.9988 4.9988 k = 0.0000 0.2155 0.5635 ( 10916 PWs) bands (ev): -12.3121 -12.3121 -12.1924 -12.1924 -10.9920 -10.9920 -10.9633 -10.9633 -10.9525 -10.9525 -10.8900 -10.8900 -10.8794 -10.8794 -10.7933 -10.7933 -5.3759 -5.3759 -5.2305 -5.2305 -2.8659 -2.8659 -2.7111 -2.7111 -2.6992 -2.6992 -2.5446 -2.5446 -2.2913 -2.2913 -2.2524 -2.2524 -1.4099 -1.4099 -1.0361 -1.0361 -0.8465 -0.8465 -0.8032 -0.8032 -0.7139 -0.7139 -0.4085 -0.4085 -0.3303 -0.3303 -0.2184 -0.2184 -0.0598 -0.0598 -0.0306 -0.0306 0.0739 0.0739 0.1277 0.1277 0.1906 0.1906 0.3479 0.3479 0.3799 0.3799 0.6159 0.6159 4.5296 4.5296 4.9854 4.9854 k = 0.0000 0.2394 0.5635 ( 10905 PWs) bands (ev): -12.3058 -12.3058 -12.1884 -12.1884 -10.9930 -10.9930 -10.9725 -10.9725 -10.9510 -10.9510 -10.8945 -10.8945 -10.8806 -10.8806 -10.7958 -10.7958 -5.3736 -5.3736 -5.2329 -5.2329 -2.8450 -2.8450 -2.7291 -2.7291 -2.6708 -2.6708 -2.5450 -2.5450 -2.2746 -2.2746 -2.2362 -2.2362 -1.4428 -1.4428 -1.0530 -1.0530 -0.8420 -0.8420 -0.8130 -0.8130 -0.7315 -0.7315 -0.4103 -0.4103 -0.3282 -0.3282 -0.2159 -0.2159 -0.0520 -0.0520 -0.0060 -0.0060 0.0596 0.0596 0.1320 0.1320 0.1840 0.1840 0.3583 0.3583 0.3905 0.3905 0.6075 0.6075 4.5273 4.5273 4.9727 4.9727 k = 0.0000 0.2633 0.5635 ( 10904 PWs) bands (ev): -12.2992 -12.2992 -12.1843 -12.1843 -10.9958 -10.9958 -10.9810 -10.9810 -10.9494 -10.9494 -10.8986 -10.8986 -10.8819 -10.8819 -10.7986 -10.7986 -5.3710 -5.3710 -5.2356 -5.2356 -2.8256 -2.8256 -2.7468 -2.7468 -2.6400 -2.6400 -2.5406 -2.5406 -2.2586 -2.2586 -2.2203 -2.2203 -1.4744 -1.4744 -1.0704 -1.0704 -0.8592 -0.8592 -0.8049 -0.8049 -0.7505 -0.7505 -0.4124 -0.4124 -0.3243 -0.3243 -0.2160 -0.2160 -0.0443 -0.0443 0.0169 0.0169 0.0491 0.0491 0.1334 0.1334 0.1812 0.1812 0.3684 0.3684 0.4009 0.4009 0.5985 0.5985 4.5240 4.5240 4.9613 4.9613 k = 0.0000 0.2873 0.5635 ( 10895 PWs) bands (ev): -12.2921 -12.2921 -12.1800 -12.1800 -11.0018 -11.0018 -10.9872 -10.9872 -10.9476 -10.9476 -10.9022 -10.9022 -10.8832 -10.8832 -10.8017 -10.8017 -5.3683 -5.3683 -5.2385 -5.2385 -2.8089 -2.8089 -2.7637 -2.7637 -2.6072 -2.6072 -2.5305 -2.5305 -2.2433 -2.2433 -2.2050 -2.2050 -1.5046 -1.5046 -1.0882 -1.0882 -0.8824 -0.8824 -0.7968 -0.7968 -0.7685 -0.7685 -0.4147 -0.4147 -0.3188 -0.3188 -0.2186 -0.2186 -0.0395 -0.0395 0.0287 0.0287 0.0542 0.0542 0.1302 0.1302 0.1839 0.1839 0.3780 0.3780 0.4110 0.4110 0.5890 0.5890 4.5197 4.5197 4.9514 4.9514 k = 0.0000 0.3112 0.5635 ( 10898 PWs) bands (ev): -12.2848 -12.2848 -12.1757 -12.1757 -11.0108 -11.0108 -10.9915 -10.9915 -10.9457 -10.9457 -10.9050 -10.9050 -10.8847 -10.8847 -10.8051 -10.8051 -5.3655 -5.3655 -5.2416 -5.2416 -2.7964 -2.7964 -2.7793 -2.7793 -2.5729 -2.5729 -2.5139 -2.5139 -2.2289 -2.2289 -2.1902 -2.1902 -1.5332 -1.5332 -1.1060 -1.1060 -0.9072 -0.9072 -0.8058 -0.8058 -0.7728 -0.7728 -0.4173 -0.4173 -0.3118 -0.3118 -0.2233 -0.2233 -0.0416 -0.0416 0.0328 0.0328 0.0746 0.0746 0.1234 0.1234 0.1914 0.1914 0.3869 0.3869 0.4205 0.4205 0.5790 0.5790 4.5144 4.5144 4.9432 4.9432 k = 0.0000 0.3351 0.5635 ( 10893 PWs) bands (ev): -12.2773 -12.2773 -12.1714 -12.1714 -11.0211 -11.0211 -10.9955 -10.9955 -10.9438 -10.9438 -10.9068 -10.9068 -10.8863 -10.8863 -10.8087 -10.8087 -5.3624 -5.3624 -5.2448 -5.2448 -2.7975 -2.7975 -2.7842 -2.7842 -2.5374 -2.5374 -2.4907 -2.4907 -2.2153 -2.2153 -2.1761 -2.1761 -1.5601 -1.5601 -1.1237 -1.1237 -0.9327 -0.9327 -0.8293 -0.8293 -0.7661 -0.7661 -0.4202 -0.4202 -0.3036 -0.3036 -0.2294 -0.2294 -0.0512 -0.0512 0.0432 0.0432 0.0952 0.0952 0.1163 0.1163 0.2023 0.2023 0.3947 0.3947 0.4291 0.4291 0.5688 0.5688 4.5084 4.5084 4.9368 4.9368 k = 0.0000 0.3591 0.5635 ( 10897 PWs) bands (ev): -12.2696 -12.2696 -12.1671 -12.1671 -11.0316 -11.0316 -10.9999 -10.9999 -10.9417 -10.9417 -10.9075 -10.9075 -10.8880 -10.8880 -10.8125 -10.8125 -5.3593 -5.3593 -5.2481 -5.2481 -2.8111 -2.8111 -2.7793 -2.7793 -2.5012 -2.5012 -2.4616 -2.4616 -2.2028 -2.2028 -2.1627 -2.1627 -1.5852 -1.5852 -1.1409 -1.1409 -0.9588 -0.9588 -0.8570 -0.8570 -0.7588 -0.7588 -0.4232 -0.4232 -0.2944 -0.2944 -0.2366 -0.2366 -0.0652 -0.0652 0.0589 0.0589 0.0986 0.0986 0.1247 0.1247 0.2154 0.2154 0.4013 0.4013 0.4367 0.4367 0.5585 0.5585 4.5018 4.5018 4.9320 4.9320 k = 0.0000 0.3830 0.5635 ( 10900 PWs) bands (ev): -12.2619 -12.2619 -12.1631 -12.1631 -11.0421 -11.0421 -11.0049 -11.0049 -10.9395 -10.9395 -10.9072 -10.9072 -10.8898 -10.8898 -10.8166 -10.8166 -5.3561 -5.3561 -5.2516 -5.2516 -2.8245 -2.8245 -2.7764 -2.7764 -2.4642 -2.4642 -2.4281 -2.4281 -2.1913 -2.1913 -2.1501 -2.1501 -1.6084 -1.6084 -1.1575 -1.1575 -0.9851 -0.9851 -0.8867 -0.8867 -0.7524 -0.7524 -0.4265 -0.4265 -0.2844 -0.2844 -0.2443 -0.2443 -0.0811 -0.0811 0.0772 0.0772 0.0894 0.0894 0.1445 0.1445 0.2302 0.2302 0.4063 0.4063 0.4430 0.4430 0.5483 0.5483 4.4949 4.4949 4.9286 4.9286 k = 0.0000 0.4070 0.5635 ( 10894 PWs) bands (ev): -12.2543 -12.2543 -12.1592 -12.1592 -11.0522 -11.0522 -11.0104 -11.0104 -10.9373 -10.9373 -10.9059 -10.9059 -10.8917 -10.8917 -10.8208 -10.8208 -5.3527 -5.3527 -5.2552 -5.2552 -2.8368 -2.8368 -2.7755 -2.7755 -2.4266 -2.4266 -2.3920 -2.3920 -2.1810 -2.1810 -2.1385 -2.1385 -1.6295 -1.6295 -1.1733 -1.1733 -1.0115 -1.0115 -0.9178 -0.9178 -0.7472 -0.7472 -0.4298 -0.4298 -0.2739 -0.2739 -0.2522 -0.2522 -0.0977 -0.0977 0.0770 0.0770 0.0992 0.0992 0.1644 0.1644 0.2462 0.2462 0.4096 0.4096 0.4476 0.4476 0.5384 0.5384 4.4881 4.4881 4.9263 4.9263 k = 0.0000 0.4309 0.5635 ( 10890 PWs) bands (ev): -12.2469 -12.2469 -12.1556 -12.1556 -11.0618 -11.0618 -11.0161 -11.0161 -10.9350 -10.9350 -10.9038 -10.9038 -10.8936 -10.8936 -10.8253 -10.8253 -5.3494 -5.3494 -5.2588 -5.2588 -2.8482 -2.8482 -2.7760 -2.7760 -2.3888 -2.3888 -2.3546 -2.3546 -2.1717 -2.1717 -2.1277 -2.1277 -1.6486 -1.6486 -1.1881 -1.1881 -1.0377 -1.0377 -0.9497 -0.9497 -0.7430 -0.7430 -0.4332 -0.4332 -0.2649 -0.2649 -0.2580 -0.2580 -0.1140 -0.1140 0.0657 0.0657 0.1207 0.1207 0.1834 0.1834 0.2630 0.2630 0.4110 0.4110 0.4502 0.4502 0.5292 0.5292 4.4817 4.4817 4.9247 4.9247 k = 0.0000 0.4548 0.5635 ( 10891 PWs) bands (ev): -12.2399 -12.2399 -12.1524 -12.1524 -11.0708 -11.0708 -11.0218 -11.0218 -10.9326 -10.9326 -10.9010 -10.9010 -10.8956 -10.8956 -10.8299 -10.8299 -5.3460 -5.3460 -5.2624 -5.2624 -2.8583 -2.8583 -2.7772 -2.7772 -2.3511 -2.3511 -2.3175 -2.3175 -2.1636 -2.1636 -2.1179 -2.1179 -1.6655 -1.6655 -1.2018 -1.2018 -1.0634 -1.0634 -0.9816 -0.9816 -0.7398 -0.7398 -0.4366 -0.4366 -0.2687 -0.2687 -0.2505 -0.2505 -0.1298 -0.1298 0.0542 0.0542 0.1428 0.1428 0.2014 0.2014 0.2800 0.2800 0.4105 0.4105 0.4506 0.4506 0.5208 0.5208 4.4758 4.4758 4.9235 4.9235 k = 0.0000 0.4788 0.5635 ( 10909 PWs) bands (ev): -12.2332 -12.2332 -12.1496 -12.1496 -11.0790 -11.0790 -11.0273 -11.0273 -10.9302 -10.9302 -10.8981 -10.8981 -10.8974 -10.8974 -10.8347 -10.8347 -5.3426 -5.3426 -5.2660 -5.2660 -2.8672 -2.8672 -2.7790 -2.7790 -2.3145 -2.3145 -2.2817 -2.2817 -2.1566 -2.1566 -2.1092 -2.1092 -1.6803 -1.6803 -1.2142 -1.2142 -1.0881 -1.0881 -1.0128 -1.0128 -0.7373 -0.7373 -0.4399 -0.4399 -0.2753 -0.2753 -0.2398 -0.2398 -0.1446 -0.1446 0.0431 0.0431 0.1649 0.1649 0.2187 0.2187 0.2965 0.2965 0.4083 0.4083 0.4489 0.4489 0.5134 0.5134 4.4706 4.4706 4.9225 4.9225 k = 0.0000 0.5027 0.5635 ( 10905 PWs) bands (ev): -12.2272 -12.2272 -12.1471 -12.1471 -11.0862 -11.0862 -11.0324 -11.0324 -10.9278 -10.9278 -10.9000 -10.9000 -10.8938 -10.8938 -10.8396 -10.8396 -5.3394 -5.3394 -5.2694 -5.2694 -2.8749 -2.8749 -2.7808 -2.7808 -2.2798 -2.2798 -2.2484 -2.2484 -2.1507 -2.1507 -2.1016 -2.1016 -1.6929 -1.6929 -1.2253 -1.2253 -1.1113 -1.1113 -1.0423 -1.0423 -0.7355 -0.7355 -0.4429 -0.4429 -0.2811 -0.2811 -0.2292 -0.2292 -0.1581 -0.1581 0.0325 0.0325 0.1864 0.1864 0.2351 0.2351 0.3117 0.3117 0.4046 0.4046 0.4451 0.4451 0.5070 0.5070 4.4662 4.4662 4.9215 4.9215 k = 0.0000 0.5267 0.5635 ( 10911 PWs) bands (ev): -12.2219 -12.2219 -12.1451 -12.1451 -11.0924 -11.0924 -11.0370 -11.0370 -10.9253 -10.9253 -10.9022 -10.9022 -10.8897 -10.8897 -10.8446 -10.8446 -5.3365 -5.3365 -5.2726 -5.2726 -2.8813 -2.8813 -2.7827 -2.7827 -2.2480 -2.2480 -2.2188 -2.2188 -2.1459 -2.1459 -2.0952 -2.0952 -1.7033 -1.7033 -1.2349 -1.2349 -1.1322 -1.1322 -1.0692 -1.0692 -0.7342 -0.7342 -0.4456 -0.4456 -0.2860 -0.2860 -0.2194 -0.2194 -0.1699 -0.1699 0.0227 0.0227 0.2067 0.2067 0.2508 0.2508 0.3245 0.3245 0.4000 0.4000 0.4402 0.4402 0.5013 0.5013 4.4626 4.4626 4.9205 4.9205 k = 0.0000 0.5506 0.5635 ( 10905 PWs) bands (ev): -12.2174 -12.2174 -12.1436 -12.1436 -11.0974 -11.0974 -11.0408 -11.0408 -10.9229 -10.9229 -10.9045 -10.9045 -10.8853 -10.8853 -10.8496 -10.8496 -5.3338 -5.3338 -5.2754 -5.2754 -2.8864 -2.8864 -2.7843 -2.7843 -2.2202 -2.2202 -2.1938 -2.1938 -2.1421 -2.1421 -2.0899 -2.0899 -1.7117 -1.7117 -1.2429 -1.2429 -1.1503 -1.1503 -1.0924 -1.0924 -0.7333 -0.7333 -0.4480 -0.4480 -0.2898 -0.2898 -0.2109 -0.2109 -0.1795 -0.1795 0.0142 0.0142 0.2251 0.2251 0.2655 0.2655 0.3337 0.3337 0.3953 0.3953 0.4351 0.4351 0.4962 0.4962 4.4597 4.4597 4.9194 4.9194 k = 0.0000 0.5745 0.5635 ( 10896 PWs) bands (ev): -12.2140 -12.2140 -12.1425 -12.1425 -11.1012 -11.1012 -11.0438 -11.0438 -10.9205 -10.9205 -10.9067 -10.9067 -10.8807 -10.8807 -10.8546 -10.8546 -5.3317 -5.3317 -5.2777 -5.2777 -2.8902 -2.8902 -2.7856 -2.7856 -2.1977 -2.1977 -2.1745 -2.1745 -2.1393 -2.1393 -2.0858 -2.0858 -1.7179 -1.7179 -1.2492 -1.2492 -1.1645 -1.1645 -1.1110 -1.1110 -0.7328 -0.7328 -0.4499 -0.4499 -0.2926 -0.2926 -0.2045 -0.2045 -0.1863 -0.1863 0.0071 0.0071 0.2407 0.2407 0.2787 0.2787 0.3386 0.3386 0.3912 0.3912 0.4309 0.4309 0.4916 0.4916 4.4575 4.4575 4.9185 4.9185 k = 0.0000 0.5985 0.5635 ( 10897 PWs) bands (ev): -12.2116 -12.2116 -12.1417 -12.1417 -11.1038 -11.1038 -11.0458 -11.0458 -10.9182 -10.9182 -10.9089 -10.9089 -10.8761 -10.8761 -10.8595 -10.8595 -5.3302 -5.3302 -5.2792 -5.2792 -2.8926 -2.8926 -2.7867 -2.7867 -2.1816 -2.1816 -2.1616 -2.1616 -2.1374 -2.1374 -2.0831 -2.0831 -1.7220 -1.7220 -1.2536 -1.2536 -1.1743 -1.1743 -1.1240 -1.1240 -0.7326 -0.7326 -0.4512 -0.4512 -0.2942 -0.2942 -0.2016 -0.2016 -0.1891 -0.1891 0.0021 0.0021 0.2523 0.2523 0.2890 0.2890 0.3395 0.3395 0.3880 0.3880 0.4285 0.4285 0.4882 0.4882 4.4559 4.4559 4.9177 4.9177 k = 0.0000 0.6224 0.5635 ( 10919 PWs) bands (ev): -12.2104 -12.2104 -12.1414 -12.1414 -11.1051 -11.1051 -11.0468 -11.0468 -10.9165 -10.9165 -10.9106 -10.9106 -10.8721 -10.8721 -10.8637 -10.8637 -5.3296 -5.3296 -5.2799 -5.2799 -2.8936 -2.8936 -2.7873 -2.7873 -2.1730 -2.1730 -2.1553 -2.1553 -2.1366 -2.1366 -2.0816 -2.0816 -1.7242 -1.7242 -1.2560 -1.2560 -1.1788 -1.1788 -1.1309 -1.1309 -0.7327 -0.7327 -0.4520 -0.4520 -0.2949 -0.2949 -0.2016 -0.2016 -0.1885 -0.1885 -0.0007 -0.0007 0.2585 0.2585 0.2950 0.2950 0.3385 0.3385 0.3863 0.3863 0.4274 0.4274 0.4864 0.4864 4.4548 4.4548 4.9173 4.9173 k = 0.0000 0.6224 0.5635 ( 10919 PWs) bands (ev): -12.2104 -12.2104 -12.1414 -12.1414 -11.1051 -11.1051 -11.0468 -11.0468 -10.9165 -10.9165 -10.9106 -10.9106 -10.8721 -10.8721 -10.8637 -10.8637 -5.3296 -5.3296 -5.2799 -5.2799 -2.8936 -2.8936 -2.7873 -2.7873 -2.1730 -2.1730 -2.1553 -2.1553 -2.1366 -2.1366 -2.0816 -2.0816 -1.7242 -1.7242 -1.2560 -1.2560 -1.1788 -1.1788 -1.1309 -1.1309 -0.7327 -0.7327 -0.4520 -0.4520 -0.2949 -0.2949 -0.2016 -0.2016 -0.1885 -0.1885 -0.0007 -0.0007 0.2585 0.2585 0.2950 0.2950 0.3385 0.3385 0.3863 0.3863 0.4274 0.4274 0.4864 0.4864 4.4548 4.4548 4.9173 4.9173 k = 0.0000 0.6342 0.5500 ( 10916 PWs) bands (ev): -12.2101 -12.2101 -12.1414 -12.1414 -11.1050 -11.1050 -11.0472 -11.0472 -10.9161 -10.9161 -10.9109 -10.9109 -10.8714 -10.8714 -10.8645 -10.8645 -5.3296 -5.3296 -5.2798 -5.2798 -2.8939 -2.8939 -2.7874 -2.7874 -2.1716 -2.1716 -2.1544 -2.1544 -2.1365 -2.1365 -2.0813 -2.0813 -1.7247 -1.7247 -1.2536 -1.2536 -1.1812 -1.1812 -1.1332 -1.1332 -0.7326 -0.7326 -0.4518 -0.4518 -0.2949 -0.2949 -0.2018 -0.2018 -0.1879 -0.1879 -0.0013 -0.0013 0.2592 0.2592 0.2960 0.2960 0.3378 0.3378 0.3863 0.3863 0.4280 0.4280 0.4855 0.4855 4.4544 4.4544 4.9170 4.9170 k = 0.0000 0.6342 0.5500 ( 10916 PWs) bands (ev): -12.2101 -12.2101 -12.1414 -12.1414 -11.1050 -11.1050 -11.0472 -11.0472 -10.9161 -10.9161 -10.9109 -10.9109 -10.8714 -10.8714 -10.8645 -10.8645 -5.3296 -5.3296 -5.2798 -5.2798 -2.8939 -2.8939 -2.7874 -2.7874 -2.1716 -2.1716 -2.1544 -2.1544 -2.1365 -2.1365 -2.0813 -2.0813 -1.7247 -1.7247 -1.2536 -1.2536 -1.1812 -1.1812 -1.1332 -1.1332 -0.7326 -0.7326 -0.4518 -0.4518 -0.2949 -0.2949 -0.2018 -0.2018 -0.1879 -0.1879 -0.0013 -0.0013 0.2592 0.2592 0.2960 0.2960 0.3378 0.3378 0.3863 0.3863 0.4280 0.4280 0.4855 0.4855 4.4544 4.4544 4.9170 4.9170 k = 0.0238 0.6342 0.5500 ( 10918 PWs) bands (ev): -12.2100 -12.2100 -12.1414 -12.1414 -11.1049 -11.1049 -11.0471 -11.0471 -10.9163 -10.9163 -10.9112 -10.9112 -10.8714 -10.8714 -10.8645 -10.8645 -5.3292 -5.3292 -5.2795 -5.2795 -2.8934 -2.8934 -2.7869 -2.7869 -2.1714 -2.1714 -2.1542 -2.1542 -2.1375 -2.1375 -2.0817 -2.0817 -1.7236 -1.7236 -1.2542 -1.2542 -1.1806 -1.1806 -1.1334 -1.1334 -0.7330 -0.7330 -0.4539 -0.4539 -0.2947 -0.2947 -0.2024 -0.2024 -0.1884 -0.1884 -0.0014 -0.0014 0.2581 0.2581 0.2938 0.2938 0.3399 0.3399 0.3868 0.3868 0.4276 0.4276 0.4857 0.4857 4.4563 4.4563 4.9181 4.9181 k = 0.0476 0.6342 0.5500 ( 10914 PWs) bands (ev): -12.2095 -12.2095 -12.1415 -12.1415 -11.1044 -11.1044 -11.0467 -11.0467 -10.9168 -10.9168 -10.9122 -10.9122 -10.8715 -10.8715 -10.8646 -10.8646 -5.3279 -5.3279 -5.2785 -5.2785 -2.8918 -2.8918 -2.7855 -2.7855 -2.1706 -2.1706 -2.1539 -2.1539 -2.1405 -2.1405 -2.0829 -2.0829 -1.7201 -1.7201 -1.2561 -1.2561 -1.1787 -1.1787 -1.1340 -1.1340 -0.7344 -0.7344 -0.4601 -0.4601 -0.2940 -0.2940 -0.2040 -0.2040 -0.1901 -0.1901 -0.0019 -0.0019 0.2551 0.2551 0.2882 0.2882 0.3451 0.3451 0.3882 0.3882 0.4265 0.4265 0.4864 0.4864 4.4623 4.4623 4.9213 4.9213 k = 0.0714 0.6342 0.5500 ( 10914 PWs) bands (ev): -12.2088 -12.2088 -12.1417 -12.1417 -11.1036 -11.1036 -11.0461 -11.0461 -10.9175 -10.9175 -10.9137 -10.9137 -10.8718 -10.8718 -10.8648 -10.8648 -5.3257 -5.3257 -5.2769 -5.2769 -2.8893 -2.8893 -2.7832 -2.7832 -2.1696 -2.1696 -2.1534 -2.1534 -2.1451 -2.1451 -2.0849 -2.0849 -1.7144 -1.7144 -1.2591 -1.2591 -1.1757 -1.1757 -1.1349 -1.1349 -0.7367 -0.7367 -0.4703 -0.4703 -0.2930 -0.2930 -0.2066 -0.2066 -0.1927 -0.1927 -0.0028 -0.0028 0.2504 0.2504 0.2807 0.2807 0.3516 0.3516 0.3903 0.3903 0.4249 0.4249 0.4876 0.4876 4.4720 4.4720 4.9264 4.9264 k = 0.0952 0.6342 0.5500 ( 10908 PWs) bands (ev): -12.2078 -12.2078 -12.1420 -12.1420 -11.1025 -11.1025 -11.0454 -11.0454 -10.9186 -10.9186 -10.9158 -10.9158 -10.8721 -10.8721 -10.8650 -10.8650 -5.3226 -5.3226 -5.2747 -5.2747 -2.8857 -2.8857 -2.7800 -2.7800 -2.1688 -2.1688 -2.1536 -2.1536 -2.1498 -2.1498 -2.0877 -2.0877 -1.7065 -1.7065 -1.2631 -1.2631 -1.1717 -1.1717 -1.1362 -1.1362 -0.7399 -0.7399 -0.4841 -0.4841 -0.2916 -0.2916 -0.2101 -0.2101 -0.1964 -0.1964 -0.0043 -0.0043 0.2445 0.2445 0.2723 0.2723 0.3582 0.3582 0.3929 0.3929 0.4229 0.4229 0.4892 0.4892 4.4855 4.4855 4.9331 4.9331 k = 0.1190 0.6342 0.5500 ( 10902 PWs) bands (ev): -12.2065 -12.2065 -12.1423 -12.1423 -11.1010 -11.1010 -11.0444 -11.0444 -10.9199 -10.9199 -10.9183 -10.9183 -10.8725 -10.8725 -10.8654 -10.8654 -5.3189 -5.3189 -5.2719 -5.2719 -2.8811 -2.8811 -2.7759 -2.7759 -2.1706 -2.1706 -2.1566 -2.1566 -2.1503 -2.1503 -2.0913 -2.0913 -1.6964 -1.6964 -1.2678 -1.2678 -1.1670 -1.1670 -1.1380 -1.1380 -0.7437 -0.7437 -0.5014 -0.5014 -0.2899 -0.2899 -0.2144 -0.2144 -0.2010 -0.2010 -0.0065 -0.0065 0.2380 0.2380 0.2635 0.2635 0.3641 0.3641 0.3956 0.3956 0.4212 0.4212 0.4912 0.4912 4.5023 4.5023 4.9410 4.9410 k = 0.1429 0.6342 0.5500 ( 10906 PWs) bands (ev): -12.2050 -12.2050 -12.1428 -12.1428 -11.0993 -11.0993 -11.0433 -11.0433 -10.9216 -10.9216 -10.9211 -10.9211 -10.8731 -10.8731 -10.8659 -10.8659 -5.3144 -5.3144 -5.2687 -5.2687 -2.8756 -2.8756 -2.7711 -2.7711 -2.1777 -2.1777 -2.1570 -2.1570 -2.1490 -2.1490 -2.0957 -2.0957 -1.6842 -1.6842 -1.2730 -1.2730 -1.1619 -1.1619 -1.1401 -1.1401 -0.7483 -0.7483 -0.5216 -0.5216 -0.2880 -0.2880 -0.2194 -0.2194 -0.2065 -0.2065 -0.0095 -0.0095 0.2312 0.2312 0.2547 0.2547 0.3686 0.3686 0.3977 0.3977 0.4206 0.4206 0.4935 0.4935 4.5224 4.5224 4.9497 4.9497 k = 0.1667 0.6342 0.5500 ( 10914 PWs) bands (ev): -12.2032 -12.2032 -12.1433 -12.1433 -11.0973 -11.0973 -11.0421 -11.0421 -10.9246 -10.9246 -10.9230 -10.9230 -10.8738 -10.8738 -10.8665 -10.8665 -5.3093 -5.3093 -5.2651 -5.2651 -2.8692 -2.8692 -2.7657 -2.7657 -2.1882 -2.1882 -2.1552 -2.1552 -2.1474 -2.1474 -2.1007 -2.1007 -1.6700 -1.6700 -1.2784 -1.2784 -1.1572 -1.1572 -1.1422 -1.1422 -0.7534 -0.7534 -0.5445 -0.5445 -0.2860 -0.2860 -0.2248 -0.2248 -0.2127 -0.2127 -0.0136 -0.0136 0.2244 0.2244 0.2460 0.2460 0.3714 0.3714 0.3982 0.3982 0.4223 0.4223 0.4962 0.4962 4.5452 4.5452 4.9588 4.9588 k = 0.1905 0.6342 0.5500 ( 10920 PWs) bands (ev): -12.2012 -12.2012 -12.1440 -12.1440 -11.0950 -11.0950 -11.0408 -11.0408 -10.9280 -10.9280 -10.9248 -10.9248 -10.8745 -10.8745 -10.8673 -10.8673 -5.3036 -5.3036 -5.2612 -5.2612 -2.8619 -2.8619 -2.7597 -2.7597 -2.2003 -2.2003 -2.1530 -2.1530 -2.1455 -2.1455 -2.1063 -2.1063 -1.6539 -1.6539 -1.2835 -1.2835 -1.1550 -1.1550 -1.1424 -1.1424 -0.7589 -0.7589 -0.5694 -0.5694 -0.2839 -0.2839 -0.2306 -0.2306 -0.2194 -0.2194 -0.0189 -0.0189 0.2178 0.2178 0.2377 0.2377 0.3727 0.3727 0.3967 0.3967 0.4267 0.4267 0.4989 0.4989 4.5705 4.5705 4.9676 4.9676 k = 0.2143 0.6342 0.5500 ( 10922 PWs) bands (ev): -12.1990 -12.1990 -12.1448 -12.1448 -11.0924 -11.0924 -11.0395 -11.0395 -10.9316 -10.9316 -10.9266 -10.9266 -10.8754 -10.8754 -10.8683 -10.8683 -5.2976 -5.2976 -5.2572 -5.2572 -2.8539 -2.8539 -2.7533 -2.7533 -2.2131 -2.2131 -2.1515 -2.1515 -2.1434 -2.1434 -2.1119 -2.1119 -1.6360 -1.6360 -1.2881 -1.2881 -1.1575 -1.1575 -1.1391 -1.1391 -0.7648 -0.7648 -0.5958 -0.5958 -0.2820 -0.2820 -0.2366 -0.2366 -0.2262 -0.2262 -0.0254 -0.0254 0.2117 0.2117 0.2298 0.2298 0.3727 0.3727 0.3939 0.3939 0.4328 0.4328 0.5017 0.5017 4.5979 4.5979 4.9758 4.9758 k = 0.2381 0.6342 0.5500 ( 10922 PWs) bands (ev): -12.1966 -12.1966 -12.1457 -12.1457 -11.0896 -11.0896 -11.0383 -11.0383 -10.9352 -10.9352 -10.9286 -10.9286 -10.8764 -10.8764 -10.8694 -10.8694 -5.2912 -5.2912 -5.2531 -5.2531 -2.8452 -2.8452 -2.7468 -2.7468 -2.2262 -2.2262 -2.1516 -2.1516 -2.1411 -2.1411 -2.1167 -2.1167 -1.6164 -1.6164 -1.2918 -1.2918 -1.1630 -1.1630 -1.1344 -1.1344 -0.7710 -0.7710 -0.6232 -0.6232 -0.2807 -0.2807 -0.2427 -0.2427 -0.2326 -0.2326 -0.0332 -0.0332 0.2061 0.2061 0.2225 0.2225 0.3719 0.3719 0.3906 0.3906 0.4398 0.4398 0.5044 0.5044 4.6268 4.6268 4.9830 4.9830 k = 0.2619 0.6342 0.5500 ( 10924 PWs) bands (ev): -12.1941 -12.1941 -12.1467 -12.1467 -11.0866 -11.0866 -11.0372 -11.0372 -10.9386 -10.9386 -10.9306 -10.9306 -10.8774 -10.8774 -10.8707 -10.8707 -5.2846 -5.2846 -5.2490 -5.2490 -2.8358 -2.8358 -2.7402 -2.7402 -2.2390 -2.2390 -2.1546 -2.1546 -2.1386 -2.1386 -2.1197 -2.1197 -1.5954 -1.5954 -1.2941 -1.2941 -1.1703 -1.1703 -1.1301 -1.1301 -0.7772 -0.7772 -0.6510 -0.6510 -0.2804 -0.2804 -0.2490 -0.2490 -0.2373 -0.2373 -0.0423 -0.0423 0.2011 0.2011 0.2158 0.2158 0.3705 0.3705 0.3870 0.3870 0.4471 0.4471 0.5068 0.5068 4.6569 4.6569 4.9889 4.9889 k = 0.2857 0.6342 0.5500 ( 10914 PWs) bands (ev): -12.1914 -12.1914 -12.1479 -12.1479 -11.0834 -11.0834 -11.0363 -11.0363 -10.9419 -10.9419 -10.9326 -10.9326 -10.8785 -10.8785 -10.8720 -10.8720 -5.2780 -5.2780 -5.2451 -5.2451 -2.8258 -2.8258 -2.7339 -2.7339 -2.2512 -2.2512 -2.1612 -2.1612 -2.1361 -2.1361 -2.1204 -2.1204 -1.5729 -1.5729 -1.2948 -1.2948 -1.1792 -1.1792 -1.1267 -1.1267 -0.7835 -0.7835 -0.6784 -0.6784 -0.2817 -0.2817 -0.2560 -0.2560 -0.2392 -0.2392 -0.0525 -0.0525 0.1967 0.1967 0.2098 0.2098 0.3688 0.3688 0.3835 0.3835 0.4544 0.4544 0.5088 0.5088 4.6878 4.6878 4.9931 4.9931 k = 0.3095 0.6342 0.5500 ( 10910 PWs) bands (ev): -12.1886 -12.1886 -12.1493 -12.1493 -11.0799 -11.0799 -11.0358 -11.0358 -10.9448 -10.9448 -10.9346 -10.9346 -10.8795 -10.8795 -10.8734 -10.8734 -5.2713 -5.2713 -5.2414 -5.2414 -2.8155 -2.8155 -2.7282 -2.7282 -2.2622 -2.2622 -2.1705 -2.1705 -2.1335 -2.1335 -2.1195 -2.1195 -1.5493 -1.5493 -1.2937 -1.2937 -1.1897 -1.1897 -1.1250 -1.1250 -0.7897 -0.7897 -0.7047 -0.7047 -0.2846 -0.2846 -0.2633 -0.2633 -0.2381 -0.2381 -0.0638 -0.0638 0.1929 0.1929 0.2045 0.2045 0.3670 0.3670 0.3801 0.3801 0.4616 0.4616 0.5105 0.5105 4.7188 4.7188 4.9954 4.9954 k = 0.3333 0.6342 0.5500 ( 10900 PWs) bands (ev): -12.1858 -12.1858 -12.1508 -12.1508 -11.0764 -11.0764 -11.0358 -11.0358 -10.9472 -10.9472 -10.9365 -10.9365 -10.8805 -10.8805 -10.8749 -10.8749 -5.2649 -5.2649 -5.2382 -5.2382 -2.8047 -2.8047 -2.7233 -2.7233 -2.2716 -2.2716 -2.1818 -2.1818 -2.1308 -2.1308 -2.1181 -2.1181 -1.5248 -1.5248 -1.2907 -1.2907 -1.2016 -1.2016 -1.1254 -1.1254 -0.7956 -0.7956 -0.7292 -0.7292 -0.2885 -0.2885 -0.2707 -0.2707 -0.2344 -0.2344 -0.0761 -0.0761 0.1898 0.1898 0.1998 0.1998 0.3654 0.3654 0.3769 0.3769 0.4684 0.4684 0.5116 0.5116 4.7497 4.7497 4.9956 4.9956 k = 0.3571 0.6342 0.5500 ( 10910 PWs) bands (ev): -12.1829 -12.1829 -12.1524 -12.1524 -11.0726 -11.0726 -11.0362 -11.0362 -10.9492 -10.9492 -10.9385 -10.9385 -10.8814 -10.8814 -10.8764 -10.8764 -5.2587 -5.2587 -5.2354 -5.2354 -2.7938 -2.7938 -2.7197 -2.7197 -2.2789 -2.2789 -2.1942 -2.1942 -2.1282 -2.1282 -2.1165 -2.1165 -1.4995 -1.4995 -1.2860 -1.2860 -1.2146 -1.2146 -1.1282 -1.1282 -0.8012 -0.8012 -0.7513 -0.7513 -0.2927 -0.2927 -0.2777 -0.2777 -0.2288 -0.2288 -0.0890 -0.0890 0.1873 0.1873 0.1957 0.1957 0.3639 0.3639 0.3739 0.3739 0.4749 0.4749 0.5123 0.5123 4.7800 4.7800 4.9935 4.9935 k = 0.3810 0.6342 0.5500 ( 10918 PWs) bands (ev): -12.1799 -12.1799 -12.1543 -12.1543 -11.0688 -11.0688 -11.0372 -11.0372 -10.9505 -10.9505 -10.9405 -10.9405 -10.8822 -10.8822 -10.8778 -10.8778 -5.2530 -5.2530 -5.2333 -5.2333 -2.7828 -2.7828 -2.7176 -2.7176 -2.2839 -2.2839 -2.2073 -2.2073 -2.1256 -2.1256 -2.1152 -2.1152 -1.4737 -1.4737 -1.2806 -1.2806 -1.2278 -1.2278 -1.1339 -1.1339 -0.8063 -0.8063 -0.7703 -0.7703 -0.2967 -0.2967 -0.2842 -0.2842 -0.2217 -0.2217 -0.1024 -0.1024 0.1853 0.1853 0.1922 0.1922 0.3627 0.3627 0.3712 0.3712 0.4810 0.4810 0.5123 0.5123 4.8093 4.8093 4.9891 4.9891 k = 0.4048 0.6342 0.5500 ( 10896 PWs) bands (ev): -12.1770 -12.1770 -12.1563 -12.1563 -11.0649 -11.0649 -11.0387 -11.0387 -10.9513 -10.9513 -10.9424 -10.9424 -10.8828 -10.8828 -10.8791 -10.8791 -5.2477 -5.2477 -5.2317 -5.2317 -2.7719 -2.7719 -2.7172 -2.7172 -2.2862 -2.2862 -2.2207 -2.2207 -2.1231 -2.1231 -2.1143 -2.1143 -1.4476 -1.4476 -1.2782 -1.2782 -1.2374 -1.2374 -1.1425 -1.1425 -0.8107 -0.8107 -0.7859 -0.7859 -0.3002 -0.3002 -0.2901 -0.2901 -0.2133 -0.2133 -0.1161 -0.1161 0.1839 0.1839 0.1894 0.1894 0.3619 0.3619 0.3687 0.3687 0.4866 0.4866 0.5118 0.5118 4.8371 4.8371 4.9822 4.9822 k = 0.4286 0.6342 0.5500 ( 10900 PWs) bands (ev): -12.1741 -12.1741 -12.1584 -12.1584 -11.0610 -11.0610 -11.0408 -11.0408 -10.9514 -10.9514 -10.9443 -10.9443 -10.8832 -10.8832 -10.8803 -10.8803 -5.2431 -5.2431 -5.2310 -5.2310 -2.7613 -2.7613 -2.7186 -2.7186 -2.2857 -2.2857 -2.2340 -2.2340 -2.1208 -2.1208 -2.1139 -2.1139 -1.4215 -1.4215 -1.2859 -1.2859 -1.2367 -1.2367 -1.1537 -1.1537 -0.8142 -0.8142 -0.7981 -0.7981 -0.3027 -0.3027 -0.2950 -0.2950 -0.2038 -0.2038 -0.1299 -0.1299 0.1830 0.1830 0.1870 0.1870 0.3614 0.3614 0.3666 0.3666 0.4917 0.4917 0.5107 0.5107 4.8633 4.8633 4.9728 4.9728 k = 0.4524 0.6342 0.5500 ( 10898 PWs) bands (ev): -12.1712 -12.1712 -12.1607 -12.1607 -11.0571 -11.0571 -11.0434 -11.0434 -10.9511 -10.9511 -10.9460 -10.9460 -10.8833 -10.8833 -10.8814 -10.8814 -5.2391 -5.2391 -5.2310 -5.2310 -2.7512 -2.7512 -2.7220 -2.7220 -2.2824 -2.2824 -2.2466 -2.2466 -2.1188 -2.1188 -2.1140 -2.1140 -1.3957 -1.3957 -1.3025 -1.3025 -1.2269 -1.2269 -1.1672 -1.1672 -0.8165 -0.8165 -0.8069 -0.8069 -0.3043 -0.3043 -0.2991 -0.2991 -0.1933 -0.1933 -0.1435 -0.1435 0.1825 0.1825 0.1852 0.1852 0.3614 0.3614 0.3648 0.3648 0.4963 0.4963 0.5090 0.5090 4.8875 4.8875 4.9608 4.9608 k = 0.4762 0.6342 0.5500 ( 10902 PWs) bands (ev): -12.1684 -12.1684 -12.1632 -12.1632 -11.0534 -11.0534 -11.0464 -11.0464 -10.9503 -10.9503 -10.9477 -10.9477 -10.8832 -10.8832 -10.8822 -10.8822 -5.2359 -5.2359 -5.2318 -5.2318 -2.7420 -2.7420 -2.7271 -2.7271 -2.2766 -2.2766 -2.2583 -2.2583 -2.1170 -2.1170 -2.1145 -2.1145 -1.3704 -1.3704 -1.3232 -1.3232 -1.2132 -1.2132 -1.1822 -1.1822 -0.8172 -0.8172 -0.8127 -0.8127 -0.3047 -0.3047 -0.3021 -0.3021 -0.1819 -0.1819 -0.1569 -0.1569 0.1825 0.1825 0.1838 0.1838 0.3617 0.3617 0.3634 0.3634 0.5003 0.5003 0.5067 0.5067 4.9095 4.9095 4.9462 4.9462 k = 0.5000 0.6342 0.5500 ( 10904 PWs) bands (ev): -12.1658 -12.1658 -12.1658 -12.1658 -11.0498 -11.0498 -11.0498 -11.0498 -10.9491 -10.9491 -10.9491 -10.9491 -10.8828 -10.8828 -10.8828 -10.8828 -5.2334 -5.2334 -5.2334 -5.2334 -2.7339 -2.7339 -2.7339 -2.7339 -2.2684 -2.2684 -2.2684 -2.2684 -2.1156 -2.1156 -2.1156 -2.1156 -1.3461 -1.3461 -1.3461 -1.3461 -1.1978 -1.1978 -1.1978 -1.1978 -0.8160 -0.8160 -0.8160 -0.8160 -0.3040 -0.3040 -0.3040 -0.3040 -0.1697 -0.1697 -0.1697 -0.1697 0.1829 0.1829 0.1829 0.1829 0.3624 0.3624 0.3624 0.3624 0.5038 0.5038 0.5038 0.5038 4.9291 4.9291 4.9291 4.9291 k = 0.5000 0.6342 0.5500 ( 10904 PWs) bands (ev): -12.1658 -12.1658 -12.1658 -12.1658 -11.0498 -11.0498 -11.0498 -11.0498 -10.9491 -10.9491 -10.9491 -10.9491 -10.8828 -10.8828 -10.8828 -10.8828 -5.2334 -5.2334 -5.2334 -5.2334 -2.7339 -2.7339 -2.7339 -2.7339 -2.2684 -2.2684 -2.2684 -2.2684 -2.1156 -2.1156 -2.1156 -2.1156 -1.3461 -1.3461 -1.3461 -1.3461 -1.1978 -1.1978 -1.1978 -1.1978 -0.8160 -0.8160 -0.8160 -0.8160 -0.3040 -0.3040 -0.3040 -0.3040 -0.1697 -0.1697 -0.1697 -0.1697 0.1829 0.1829 0.1829 0.1829 0.3624 0.3624 0.3624 0.3624 0.5038 0.5038 0.5038 0.5038 4.9291 4.9291 4.9291 4.9291 k = 0.5000 0.6459 0.5364 ( 10900 PWs) bands (ev): -12.1659 -12.1659 -12.1659 -12.1659 -11.0497 -11.0497 -11.0497 -11.0497 -10.9493 -10.9493 -10.9493 -10.9493 -10.8825 -10.8825 -10.8825 -10.8825 -5.2335 -5.2335 -5.2335 -5.2335 -2.7337 -2.7337 -2.7336 -2.7336 -2.2691 -2.2691 -2.2688 -2.2688 -2.1165 -2.1165 -2.1163 -2.1163 -1.3454 -1.3454 -1.3452 -1.3452 -1.1983 -1.1983 -1.1969 -1.1969 -0.8164 -0.8164 -0.8153 -0.8153 -0.3051 -0.3051 -0.3027 -0.3027 -0.1707 -0.1707 -0.1683 -0.1683 0.1823 0.1823 0.1835 0.1835 0.3614 0.3614 0.3621 0.3621 0.5034 0.5034 0.5048 0.5048 4.9293 4.9293 4.9295 4.9295 k = 0.5000 0.6459 0.5364 ( 10900 PWs) bands (ev): -12.1659 -12.1659 -12.1659 -12.1659 -11.0497 -11.0497 -11.0497 -11.0497 -10.9493 -10.9493 -10.9493 -10.9493 -10.8825 -10.8825 -10.8825 -10.8825 -5.2335 -5.2335 -5.2335 -5.2335 -2.7337 -2.7337 -2.7336 -2.7336 -2.2691 -2.2691 -2.2688 -2.2688 -2.1165 -2.1165 -2.1163 -2.1163 -1.3454 -1.3454 -1.3452 -1.3452 -1.1983 -1.1983 -1.1969 -1.1969 -0.8164 -0.8164 -0.8153 -0.8153 -0.3051 -0.3051 -0.3027 -0.3027 -0.1707 -0.1707 -0.1683 -0.1683 0.1823 0.1823 0.1835 0.1835 0.3614 0.3614 0.3621 0.3621 0.5034 0.5034 0.5048 0.5048 4.9293 4.9293 4.9295 4.9295 k = 0.5000 0.6454 0.5125 ( 10904 PWs) bands (ev): -12.1661 -12.1661 -12.1661 -12.1661 -11.0504 -11.0504 -11.0503 -11.0503 -10.9488 -10.9488 -10.9488 -10.9488 -10.8820 -10.8820 -10.8819 -10.8819 -5.2340 -5.2340 -5.2339 -5.2339 -2.7327 -2.7327 -2.7327 -2.7327 -2.2720 -2.2720 -2.2714 -2.2714 -2.1167 -2.1167 -2.1160 -2.1160 -1.3431 -1.3431 -1.3428 -1.3428 -1.1984 -1.1984 -1.1962 -1.1962 -0.8187 -0.8187 -0.8167 -0.8167 -0.3052 -0.3052 -0.3017 -0.3017 -0.1710 -0.1710 -0.1673 -0.1673 0.1813 0.1813 0.1849 0.1849 0.3614 0.3614 0.3624 0.3624 0.5034 0.5034 0.5053 0.5053 4.9293 4.9293 4.9296 4.9296 k = 0.5000 0.6449 0.4886 ( 10914 PWs) bands (ev): -12.1664 -12.1664 -12.1664 -12.1664 -11.0516 -11.0516 -11.0515 -11.0515 -10.9479 -10.9479 -10.9478 -10.9478 -10.8810 -10.8810 -10.8810 -10.8810 -5.2349 -5.2349 -5.2348 -5.2348 -2.7311 -2.7311 -2.7311 -2.7311 -2.2769 -2.2769 -2.2760 -2.2760 -2.1170 -2.1170 -2.1160 -2.1160 -1.3387 -1.3387 -1.3384 -1.3384 -1.1979 -1.1979 -1.1949 -1.1949 -0.8232 -0.8232 -0.8203 -0.8203 -0.3047 -0.3047 -0.3001 -0.3001 -0.1708 -0.1708 -0.1658 -0.1658 0.1802 0.1802 0.1862 0.1862 0.3612 0.3612 0.3639 0.3639 0.5036 0.5036 0.5058 0.5058 4.9291 4.9291 4.9296 4.9296 k = 0.5000 0.6444 0.4647 ( 10914 PWs) bands (ev): -12.1670 -12.1670 -12.1670 -12.1670 -11.0533 -11.0533 -11.0532 -11.0532 -10.9464 -10.9464 -10.9463 -10.9463 -10.8796 -10.8796 -10.8796 -10.8796 -5.2362 -5.2362 -5.2361 -5.2361 -2.7287 -2.7287 -2.7287 -2.7287 -2.2838 -2.2838 -2.2826 -2.2826 -2.1175 -2.1175 -2.1161 -2.1161 -1.3324 -1.3324 -1.3321 -1.3321 -1.1969 -1.1969 -1.1931 -1.1931 -0.8298 -0.8298 -0.8260 -0.8260 -0.3038 -0.3038 -0.2980 -0.2980 -0.1701 -0.1701 -0.1638 -0.1638 0.1793 0.1793 0.1873 0.1873 0.3614 0.3614 0.3658 0.3658 0.5038 0.5038 0.5065 0.5065 4.9289 4.9289 4.9296 4.9296 k = 0.5000 0.6439 0.4408 ( 10906 PWs) bands (ev): -12.1677 -12.1677 -12.1677 -12.1677 -11.0555 -11.0555 -11.0554 -11.0554 -10.9445 -10.9445 -10.9444 -10.9444 -10.8779 -10.8779 -10.8778 -10.8778 -5.2379 -5.2379 -5.2378 -5.2378 -2.7257 -2.7257 -2.7257 -2.7257 -2.2923 -2.2923 -2.2911 -2.2911 -2.1181 -2.1181 -2.1165 -2.1165 -1.3245 -1.3245 -1.3241 -1.3241 -1.1952 -1.1952 -1.1905 -1.1905 -0.8383 -0.8383 -0.8336 -0.8336 -0.3024 -0.3024 -0.2955 -0.2955 -0.1689 -0.1689 -0.1616 -0.1616 0.1784 0.1784 0.1883 0.1883 0.3621 0.3621 0.3680 0.3680 0.5043 0.5043 0.5072 0.5072 4.9285 4.9285 4.9294 4.9294 k = 0.5000 0.6434 0.4168 ( 10920 PWs) bands (ev): -12.1686 -12.1686 -12.1686 -12.1686 -11.0581 -11.0581 -11.0580 -11.0580 -10.9422 -10.9422 -10.9422 -10.9422 -10.8758 -10.8758 -10.8757 -10.8757 -5.2400 -5.2400 -5.2399 -5.2399 -2.7220 -2.7220 -2.7220 -2.7220 -2.3025 -2.3025 -2.3011 -2.3011 -2.1188 -2.1188 -2.1171 -2.1171 -1.3152 -1.3152 -1.3149 -1.3149 -1.1928 -1.1928 -1.1872 -1.1872 -0.8483 -0.8483 -0.8428 -0.8428 -0.3006 -0.3006 -0.2927 -0.2927 -0.1674 -0.1674 -0.1591 -0.1591 0.1777 0.1777 0.1892 0.1892 0.3632 0.3632 0.3703 0.3703 0.5049 0.5049 0.5081 0.5081 4.9282 4.9282 4.9291 4.9291 k = 0.5000 0.6429 0.3929 ( 10926 PWs) bands (ev): -12.1696 -12.1696 -12.1696 -12.1696 -11.0610 -11.0610 -11.0608 -11.0608 -10.9398 -10.9398 -10.9397 -10.9397 -10.8734 -10.8734 -10.8733 -10.8733 -5.2424 -5.2424 -5.2423 -5.2423 -2.7176 -2.7176 -2.7176 -2.7176 -2.3140 -2.3140 -2.3126 -2.3126 -2.1197 -2.1197 -2.1178 -2.1178 -1.3051 -1.3051 -1.3049 -1.3049 -1.1896 -1.1896 -1.1830 -1.1830 -0.8596 -0.8596 -0.8534 -0.8534 -0.2986 -0.2986 -0.2897 -0.2897 -0.1657 -0.1657 -0.1567 -0.1567 0.1772 0.1772 0.1899 0.1899 0.3645 0.3645 0.3728 0.3728 0.5058 0.5058 0.5092 0.5092 4.9278 4.9278 4.9289 4.9289 k = 0.5000 0.6424 0.3690 ( 10914 PWs) bands (ev): -12.1708 -12.1708 -12.1708 -12.1708 -11.0640 -11.0640 -11.0638 -11.0638 -10.9371 -10.9371 -10.9370 -10.9370 -10.8708 -10.8708 -10.8707 -10.8707 -5.2452 -5.2452 -5.2450 -5.2450 -2.7126 -2.7126 -2.7126 -2.7126 -2.3266 -2.3266 -2.3253 -2.3253 -2.1205 -2.1205 -2.1187 -2.1187 -1.2944 -1.2944 -1.2944 -1.2944 -1.1854 -1.1854 -1.1778 -1.1778 -0.8719 -0.8719 -0.8649 -0.8649 -0.2963 -0.2963 -0.2866 -0.2866 -0.1639 -0.1639 -0.1544 -0.1544 0.1770 0.1770 0.1905 0.1905 0.3660 0.3660 0.3752 0.3752 0.5069 0.5069 0.5104 0.5104 4.9276 4.9276 4.9288 4.9288 k = 0.5000 0.6418 0.3451 ( 10924 PWs) bands (ev): -12.1720 -12.1720 -12.1720 -12.1720 -11.0671 -11.0671 -11.0669 -11.0669 -10.9343 -10.9343 -10.9343 -10.9343 -10.8679 -10.8679 -10.8678 -10.8678 -5.2481 -5.2481 -5.2480 -5.2480 -2.7071 -2.7071 -2.7070 -2.7070 -2.3402 -2.3402 -2.3389 -2.3389 -2.1215 -2.1215 -2.1196 -2.1196 -1.2839 -1.2839 -1.2838 -1.2838 -1.1802 -1.1802 -1.1716 -1.1716 -0.8848 -0.8848 -0.8771 -0.8771 -0.2939 -0.2939 -0.2835 -0.2835 -0.1620 -0.1620 -0.1522 -0.1522 0.1769 0.1769 0.1909 0.1909 0.3677 0.3677 0.3775 0.3775 0.5083 0.5083 0.5118 0.5118 4.9275 4.9275 4.9287 4.9287 k = 0.5000 0.6413 0.3212 ( 10918 PWs) bands (ev): -12.1733 -12.1733 -12.1733 -12.1733 -11.0703 -11.0703 -11.0701 -11.0701 -10.9315 -10.9315 -10.9314 -10.9314 -10.8649 -10.8649 -10.8648 -10.8648 -5.2512 -5.2512 -5.2511 -5.2511 -2.7009 -2.7009 -2.7009 -2.7009 -2.3544 -2.3544 -2.3532 -2.3532 -2.1225 -2.1225 -2.1207 -2.1207 -1.2738 -1.2738 -1.2736 -1.2736 -1.1740 -1.1740 -1.1643 -1.1643 -0.8981 -0.8981 -0.8896 -0.8896 -0.2914 -0.2914 -0.2806 -0.2806 -0.1601 -0.1601 -0.1503 -0.1503 0.1770 0.1770 0.1911 0.1911 0.3694 0.3694 0.3797 0.3797 0.5099 0.5099 0.5135 0.5135 4.9275 4.9275 4.9288 4.9288 k = 0.5000 0.6408 0.2973 ( 10904 PWs) bands (ev): -12.1747 -12.1747 -12.1747 -12.1747 -11.0735 -11.0735 -11.0733 -11.0733 -10.9287 -10.9287 -10.9286 -10.9286 -10.8618 -10.8618 -10.8616 -10.8616 -5.2545 -5.2545 -5.2544 -5.2544 -2.6943 -2.6943 -2.6943 -2.6943 -2.3691 -2.3691 -2.3680 -2.3680 -2.1235 -2.1235 -2.1218 -2.1218 -1.2645 -1.2645 -1.2642 -1.2642 -1.1667 -1.1667 -1.1561 -1.1561 -0.9112 -0.9112 -0.9020 -0.9020 -0.2889 -0.2889 -0.2779 -0.2779 -0.1582 -0.1582 -0.1487 -0.1487 0.1770 0.1770 0.1909 0.1909 0.3712 0.3712 0.3816 0.3816 0.5120 0.5120 0.5154 0.5154 4.9278 4.9278 4.9291 4.9291 k = 0.5000 0.6403 0.2734 ( 10896 PWs) bands (ev): -12.1761 -12.1761 -12.1761 -12.1761 -11.0766 -11.0766 -11.0764 -11.0764 -10.9259 -10.9259 -10.9259 -10.9259 -10.8586 -10.8586 -10.8584 -10.8584 -5.2579 -5.2579 -5.2577 -5.2577 -2.6872 -2.6872 -2.6872 -2.6872 -2.3841 -2.3841 -2.3830 -2.3830 -2.1245 -2.1245 -2.1229 -2.1229 -1.2561 -1.2561 -1.2557 -1.2557 -1.1587 -1.1587 -1.1472 -1.1472 -0.9238 -0.9238 -0.9140 -0.9140 -0.2866 -0.2866 -0.2755 -0.2755 -0.1562 -0.1562 -0.1472 -0.1472 0.1770 0.1770 0.1902 0.1902 0.3729 0.3729 0.3833 0.3833 0.5143 0.5143 0.5176 0.5176 4.9283 4.9283 4.9296 4.9296 k = 0.5000 0.6398 0.2495 ( 10890 PWs) bands (ev): -12.1775 -12.1775 -12.1775 -12.1775 -11.0796 -11.0796 -11.0794 -11.0794 -10.9233 -10.9233 -10.9232 -10.9232 -10.8554 -10.8554 -10.8553 -10.8553 -5.2612 -5.2612 -5.2611 -5.2611 -2.6798 -2.6798 -2.6797 -2.6797 -2.3991 -2.3991 -2.3982 -2.3982 -2.1255 -2.1255 -2.1241 -2.1241 -1.2487 -1.2487 -1.2484 -1.2484 -1.1502 -1.1502 -1.1380 -1.1380 -0.9355 -0.9355 -0.9251 -0.9251 -0.2843 -0.2843 -0.2735 -0.2735 -0.1542 -0.1542 -0.1460 -0.1460 0.1767 0.1767 0.1891 0.1891 0.3747 0.3747 0.3847 0.3847 0.5168 0.5168 0.5200 0.5200 4.9290 4.9290 4.9303 4.9303 k = 0.5000 0.6393 0.2256 ( 10892 PWs) bands (ev): -12.1788 -12.1788 -12.1788 -12.1788 -11.0824 -11.0824 -11.0823 -11.0823 -10.9207 -10.9207 -10.9207 -10.9207 -10.8523 -10.8523 -10.8522 -10.8522 -5.2645 -5.2645 -5.2644 -5.2644 -2.6719 -2.6719 -2.6719 -2.6719 -2.4141 -2.4141 -2.4133 -2.4133 -2.1265 -2.1265 -2.1252 -2.1252 -1.2424 -1.2424 -1.2421 -1.2421 -1.1418 -1.1418 -1.1292 -1.1292 -0.9458 -0.9458 -0.9350 -0.9350 -0.2823 -0.2823 -0.2720 -0.2720 -0.1521 -0.1521 -0.1448 -0.1448 0.1761 0.1761 0.1874 0.1874 0.3764 0.3764 0.3860 0.3860 0.5196 0.5196 0.5226 0.5226 4.9299 4.9299 4.9312 4.9312 k = 0.5000 0.6388 0.2016 ( 10884 PWs) bands (ev): -12.1802 -12.1802 -12.1802 -12.1802 -11.0851 -11.0851 -11.0849 -11.0849 -10.9184 -10.9184 -10.9183 -10.9183 -10.8493 -10.8493 -10.8492 -10.8492 -5.2677 -5.2677 -5.2676 -5.2676 -2.6638 -2.6638 -2.6638 -2.6638 -2.4288 -2.4288 -2.4282 -2.4282 -2.1275 -2.1275 -2.1263 -2.1263 -1.2369 -1.2369 -1.2367 -1.2367 -1.1340 -1.1340 -1.1212 -1.1212 -0.9543 -0.9543 -0.9433 -0.9433 -0.2805 -0.2805 -0.2709 -0.2709 -0.1498 -0.1498 -0.1435 -0.1435 0.1751 0.1751 0.1851 0.1851 0.3782 0.3782 0.3871 0.3871 0.5226 0.5226 0.5253 0.5253 4.9310 4.9310 4.9322 4.9322 k = 0.5000 0.6383 0.1777 ( 10888 PWs) bands (ev): -12.1814 -12.1814 -12.1814 -12.1814 -11.0875 -11.0875 -11.0874 -11.0874 -10.9162 -10.9162 -10.9162 -10.9162 -10.8465 -10.8465 -10.8464 -10.8464 -5.2708 -5.2708 -5.2707 -5.2707 -2.6555 -2.6555 -2.6554 -2.6554 -2.4432 -2.4432 -2.4426 -2.4426 -2.1284 -2.1284 -2.1274 -2.1274 -1.2323 -1.2323 -1.2322 -1.2322 -1.1272 -1.1272 -1.1147 -1.1147 -0.9606 -0.9606 -0.9497 -0.9497 -0.2791 -0.2791 -0.2703 -0.2703 -0.1473 -0.1473 -0.1421 -0.1421 0.1736 0.1736 0.1823 0.1823 0.3800 0.3800 0.3881 0.3881 0.5256 0.5256 0.5280 0.5280 4.9323 4.9323 4.9334 4.9334 k = 0.5000 0.6378 0.1538 ( 10886 PWs) bands (ev): -12.1826 -12.1826 -12.1826 -12.1826 -11.0897 -11.0897 -11.0896 -11.0896 -10.9142 -10.9142 -10.9142 -10.9142 -10.8439 -10.8439 -10.8438 -10.8438 -5.2736 -5.2736 -5.2735 -5.2735 -2.6471 -2.6471 -2.6470 -2.6470 -2.4571 -2.4571 -2.4566 -2.4566 -2.1293 -2.1293 -2.1284 -2.1284 -1.2285 -1.2285 -1.2285 -1.2285 -1.1218 -1.1218 -1.1100 -1.1100 -0.9646 -0.9646 -0.9543 -0.9543 -0.2779 -0.2779 -0.2702 -0.2702 -0.1447 -0.1447 -0.1406 -0.1406 0.1717 0.1717 0.1790 0.1790 0.3818 0.3818 0.3889 0.3889 0.5286 0.5286 0.5307 0.5307 4.9336 4.9336 4.9346 4.9346 k = 0.5000 0.6372 0.1299 ( 10888 PWs) bands (ev): -12.1836 -12.1836 -12.1836 -12.1836 -11.0917 -11.0917 -11.0916 -11.0916 -10.9124 -10.9124 -10.9124 -10.9124 -10.8415 -10.8415 -10.8414 -10.8414 -5.2762 -5.2762 -5.2761 -5.2761 -2.6386 -2.6386 -2.6385 -2.6385 -2.4703 -2.4703 -2.4699 -2.4699 -2.1300 -2.1300 -2.1293 -2.1293 -1.2254 -1.2254 -1.2253 -1.2253 -1.1179 -1.1179 -1.1073 -1.1073 -0.9663 -0.9663 -0.9569 -0.9569 -0.2771 -0.2771 -0.2705 -0.2705 -0.1420 -0.1420 -0.1389 -0.1389 0.1694 0.1694 0.1754 0.1754 0.3835 0.3835 0.3897 0.3897 0.5314 0.5314 0.5333 0.5333 4.9349 4.9349 4.9359 4.9359 k = 0.5000 0.6367 0.1060 ( 10880 PWs) bands (ev): -12.1845 -12.1845 -12.1845 -12.1845 -11.0934 -11.0934 -11.0933 -11.0933 -10.9109 -10.9109 -10.9109 -10.9109 -10.8395 -10.8395 -10.8394 -10.8394 -5.2784 -5.2784 -5.2783 -5.2783 -2.6302 -2.6302 -2.6302 -2.6302 -2.4827 -2.4827 -2.4824 -2.4824 -2.1307 -2.1307 -2.1301 -2.1301 -1.2230 -1.2230 -1.2228 -1.2228 -1.1153 -1.1153 -1.1062 -1.1062 -0.9661 -0.9661 -0.9581 -0.9581 -0.2765 -0.2765 -0.2711 -0.2711 -0.1393 -0.1393 -0.1371 -0.1371 0.1671 0.1671 0.1718 0.1718 0.3852 0.3852 0.3903 0.3903 0.5340 0.5340 0.5356 0.5356 4.9362 4.9362 4.9370 4.9370 k = 0.5000 0.6362 0.0821 ( 10880 PWs) bands (ev): -12.1853 -12.1853 -12.1853 -12.1853 -11.0948 -11.0948 -11.0947 -11.0947 -10.9097 -10.9097 -10.9097 -10.9097 -10.8377 -10.8377 -10.8377 -10.8377 -5.2803 -5.2803 -5.2802 -5.2802 -2.6222 -2.6222 -2.6222 -2.6222 -2.4940 -2.4940 -2.4938 -2.4938 -2.1313 -2.1313 -2.1308 -2.1308 -1.2210 -1.2210 -1.2209 -1.2209 -1.1137 -1.1137 -1.1064 -1.1064 -0.9647 -0.9647 -0.9582 -0.9582 -0.2762 -0.2762 -0.2718 -0.2718 -0.1368 -0.1368 -0.1353 -0.1353 0.1647 0.1647 0.1683 0.1683 0.3868 0.3868 0.3908 0.3908 0.5363 0.5363 0.5376 0.5376 4.9374 4.9374 4.9381 4.9381 k = 0.5000 0.6357 0.0582 ( 10888 PWs) bands (ev): -12.1859 -12.1859 -12.1859 -12.1859 -11.0959 -11.0959 -11.0958 -11.0958 -10.9087 -10.9087 -10.9087 -10.9087 -10.8364 -10.8364 -10.8363 -10.8363 -5.2818 -5.2818 -5.2818 -5.2818 -2.6149 -2.6149 -2.6148 -2.6148 -2.5039 -2.5039 -2.5037 -2.5037 -2.1317 -2.1317 -2.1313 -2.1313 -1.2196 -1.2196 -1.2194 -1.2194 -1.1128 -1.1128 -1.1073 -1.1073 -0.9626 -0.9626 -0.9578 -0.9578 -0.2759 -0.2759 -0.2726 -0.2726 -0.1346 -0.1346 -0.1337 -0.1337 0.1627 0.1627 0.1652 0.1652 0.3882 0.3882 0.3912 0.3912 0.5382 0.5382 0.5392 0.5392 4.9384 4.9384 4.9389 4.9389 k = 0.5000 0.6352 0.0343 ( 10882 PWs) bands (ev): -12.1864 -12.1864 -12.1864 -12.1864 -11.0966 -11.0966 -11.0966 -11.0966 -10.9080 -10.9080 -10.9080 -10.9080 -10.8353 -10.8353 -10.8353 -10.8353 -5.2829 -5.2829 -5.2829 -5.2829 -2.6087 -2.6087 -2.6087 -2.6087 -2.5118 -2.5118 -2.5117 -2.5117 -2.1320 -2.1320 -2.1318 -2.1318 -1.2186 -1.2186 -1.2185 -1.2185 -1.1121 -1.1121 -1.1085 -1.1085 -0.9605 -0.9605 -0.9573 -0.9573 -0.2756 -0.2756 -0.2735 -0.2735 -0.1329 -0.1329 -0.1325 -0.1325 0.1611 0.1611 0.1628 0.1628 0.3893 0.3893 0.3913 0.3913 0.5397 0.5397 0.5403 0.5403 4.9392 4.9392 4.9396 4.9396 k = 0.5000 0.6347 0.0104 ( 10900 PWs) bands (ev): -12.1866 -12.1866 -12.1866 -12.1866 -11.0971 -11.0971 -11.0971 -11.0971 -10.9075 -10.9075 -10.9075 -10.9075 -10.8347 -10.8347 -10.8347 -10.8347 -5.2836 -5.2836 -5.2835 -5.2835 -2.6045 -2.6045 -2.6045 -2.6045 -2.5171 -2.5171 -2.5171 -2.5171 -2.1322 -2.1322 -2.1320 -2.1320 -1.2180 -1.2180 -1.2179 -1.2179 -1.1115 -1.1115 -1.1097 -1.1097 -0.9588 -0.9588 -0.9572 -0.9572 -0.2752 -0.2752 -0.2742 -0.2742 -0.1319 -0.1319 -0.1316 -0.1316 0.1602 0.1602 0.1610 0.1610 0.3902 0.3902 0.3912 0.3912 0.5406 0.5406 0.5409 0.5409 4.9397 4.9397 4.9399 4.9399 k = 0.5000 0.6342-0.0136 ( 10908 PWs) bands (ev): -12.1867 -12.1867 -12.1867 -12.1867 -11.0973 -11.0973 -11.0973 -11.0973 -10.9074 -10.9074 -10.9074 -10.9074 -10.8345 -10.8345 -10.8345 -10.8345 -5.2838 -5.2838 -5.2838 -5.2838 -2.6030 -2.6030 -2.6030 -2.6030 -2.5190 -2.5190 -2.5190 -2.5190 -2.1322 -2.1322 -2.1322 -2.1322 -1.2178 -1.2178 -1.2178 -1.2178 -1.1107 -1.1107 -1.1107 -1.1107 -0.9576 -0.9576 -0.9576 -0.9576 -0.2748 -0.2748 -0.2748 -0.2748 -0.1314 -0.1314 -0.1314 -0.1314 0.1602 0.1602 0.1602 0.1602 0.3909 0.3909 0.3909 0.3909 0.5410 0.5410 0.5410 0.5410 4.9400 4.9400 4.9400 4.9400 k = 0.5000 0.6342-0.0136 ( 10908 PWs) bands (ev): -12.1867 -12.1867 -12.1867 -12.1867 -11.0973 -11.0973 -11.0973 -11.0973 -10.9074 -10.9074 -10.9074 -10.9074 -10.8345 -10.8345 -10.8345 -10.8345 -5.2838 -5.2838 -5.2838 -5.2838 -2.6030 -2.6030 -2.6030 -2.6030 -2.5190 -2.5190 -2.5190 -2.5190 -2.1322 -2.1322 -2.1322 -2.1322 -1.2178 -1.2178 -1.2178 -1.2178 -1.1107 -1.1107 -1.1107 -1.1107 -0.9576 -0.9576 -0.9576 -0.9576 -0.2748 -0.2748 -0.2748 -0.2748 -0.1314 -0.1314 -0.1314 -0.1314 0.1602 0.1602 0.1602 0.1602 0.3909 0.3909 0.3909 0.3909 0.5410 0.5410 0.5410 0.5410 4.9400 4.9400 4.9400 4.9400 k = 0.4762 0.6342-0.0136 ( 10904 PWs) bands (ev): -12.1917 -12.1917 -12.1819 -12.1819 -11.1037 -11.1037 -11.0905 -11.0905 -10.9077 -10.9077 -10.9072 -10.9072 -10.8349 -10.8349 -10.8341 -10.8341 -5.2864 -5.2864 -5.2818 -5.2818 -2.6063 -2.6063 -2.6013 -2.6013 -2.5345 -2.5345 -2.5015 -2.5015 -2.1387 -2.1387 -2.1266 -2.1266 -1.2410 -1.2410 -1.1980 -1.1980 -1.1294 -1.1294 -1.0895 -1.0895 -0.9716 -0.9716 -0.9410 -0.9410 -0.2809 -0.2809 -0.2709 -0.2709 -0.1345 -0.1345 -0.1251 -0.1251 0.1551 0.1551 0.1660 0.1660 0.3816 0.3816 0.4009 0.4009 0.5399 0.5399 0.5416 0.5416 4.9180 4.9180 4.9603 4.9603 k = 0.4524 0.6342-0.0136 ( 10896 PWs) bands (ev): -12.1967 -12.1967 -12.1772 -12.1772 -11.1097 -11.1097 -11.0834 -11.0834 -10.9083 -10.9083 -10.9072 -10.9072 -10.8352 -10.8352 -10.8336 -10.8336 -5.2897 -5.2897 -5.2805 -5.2805 -2.6127 -2.6127 -2.6003 -2.6003 -2.5461 -2.5461 -2.4831 -2.4831 -2.1459 -2.1459 -2.1221 -2.1221 -1.2658 -1.2658 -1.1839 -1.1839 -1.1452 -1.1452 -1.0662 -1.0662 -0.9805 -0.9805 -0.9234 -0.9234 -0.2887 -0.2887 -0.2697 -0.2697 -0.1340 -0.1340 -0.1161 -0.1161 0.1508 0.1508 0.1724 0.1724 0.3732 0.3732 0.4116 0.4116 0.5380 0.5380 0.5415 0.5415 4.8945 4.8945 4.9787 4.9787 k = 0.4286 0.6342-0.0136 ( 10896 PWs) bands (ev): -12.2018 -12.2018 -12.1726 -12.1726 -11.1153 -11.1153 -11.0760 -11.0760 -10.9090 -10.9090 -10.9074 -10.9074 -10.8355 -10.8355 -10.8330 -10.8330 -5.2935 -5.2935 -5.2799 -5.2799 -2.6235 -2.6235 -2.5993 -2.5993 -2.5526 -2.5526 -2.4646 -2.4646 -2.1535 -2.1535 -2.1189 -2.1189 -1.2910 -1.2910 -1.1780 -1.1780 -1.1579 -1.1579 -1.0418 -1.0418 -0.9814 -0.9814 -0.9061 -0.9061 -0.2975 -0.2975 -0.2710 -0.2710 -0.1301 -0.1301 -0.1050 -0.1050 0.1474 0.1474 0.1792 0.1792 0.3658 0.3658 0.4229 0.4229 0.5354 0.5354 0.5408 0.5408 4.8696 4.8696 4.9950 4.9950 k = 0.4048 0.6342-0.0136 ( 10906 PWs) bands (ev): -12.2069 -12.2069 -12.1682 -12.1682 -11.1204 -11.1204 -11.0683 -11.0683 -10.9099 -10.9099 -10.9077 -10.9077 -10.8358 -10.8358 -10.8324 -10.8324 -5.2979 -5.2979 -5.2800 -5.2800 -2.6381 -2.6381 -2.5981 -2.5981 -2.5544 -2.5544 -2.4465 -2.4465 -2.1615 -2.1615 -2.1171 -2.1171 -1.3159 -1.3159 -1.1807 -1.1807 -1.1675 -1.1675 -1.0176 -1.0176 -0.9725 -0.9725 -0.8900 -0.8900 -0.3068 -0.3068 -0.2743 -0.2743 -0.1230 -0.1230 -0.0923 -0.0923 0.1449 0.1449 0.1862 0.1862 0.3594 0.3594 0.4347 0.4347 0.5321 0.5321 0.5397 0.5397 4.8436 4.8436 5.0092 5.0092 k = 0.3810 0.6342-0.0136 ( 10898 PWs) bands (ev): -12.2119 -12.2119 -12.1641 -12.1641 -11.1252 -11.1252 -11.0605 -11.0605 -10.9110 -10.9110 -10.9082 -10.9082 -10.8361 -10.8361 -10.8318 -10.8318 -5.3028 -5.3028 -5.2806 -5.2806 -2.6551 -2.6551 -2.5965 -2.5965 -2.5529 -2.5529 -2.4291 -2.4291 -2.1696 -2.1696 -2.1167 -2.1167 -1.3398 -1.3398 -1.1899 -1.1899 -1.1750 -1.1750 -0.9951 -0.9951 -0.9543 -0.9543 -0.8756 -0.8756 -0.3159 -0.3159 -0.2788 -0.2788 -0.1134 -0.1134 -0.0786 -0.0786 0.1433 0.1433 0.1932 0.1932 0.3544 0.3544 0.4469 0.4469 0.5280 0.5280 0.5380 0.5380 4.8166 4.8166 5.0211 5.0211 k = 0.3571 0.6342-0.0136 ( 10892 PWs) bands (ev): -12.2169 -12.2169 -12.1602 -12.1602 -11.1295 -11.1295 -11.0525 -11.0525 -10.9121 -10.9121 -10.9087 -10.9087 -10.8364 -10.8364 -10.8312 -10.8312 -5.3080 -5.3080 -5.2819 -5.2819 -2.6730 -2.6730 -2.5945 -2.5945 -2.5493 -2.5493 -2.4126 -2.4126 -2.1776 -2.1776 -2.1179 -2.1179 -1.3625 -1.3625 -1.2037 -1.2037 -1.1796 -1.1796 -0.9741 -0.9741 -0.9299 -0.9299 -0.8634 -0.8634 -0.3248 -0.3248 -0.2836 -0.2836 -0.1018 -0.1018 -0.0642 -0.0642 0.1424 0.1424 0.2000 0.2000 0.3507 0.3507 0.4593 0.4593 0.5232 0.5232 0.5360 0.5360 4.7890 4.7890 5.0306 5.0306 k = 0.3333 0.6342-0.0136 ( 10900 PWs) bands (ev): -12.2217 -12.2217 -12.1565 -12.1565 -11.1333 -11.1333 -11.0444 -11.0444 -10.9132 -10.9132 -10.9093 -10.9093 -10.8368 -10.8368 -10.8306 -10.8306 -5.3136 -5.3136 -5.2836 -5.2836 -2.6911 -2.6911 -2.5920 -2.5920 -2.5445 -2.5445 -2.3973 -2.3973 -2.1855 -2.1855 -2.1204 -2.1204 -1.3838 -1.3838 -1.2206 -1.2206 -1.1809 -1.1809 -0.9536 -0.9536 -0.9030 -0.9030 -0.8536 -0.8536 -0.3330 -0.3330 -0.2881 -0.2881 -0.0885 -0.0885 -0.0495 -0.0495 0.1424 0.1424 0.2062 0.2062 0.3487 0.3487 0.4715 0.4715 0.5177 0.5177 0.5337 0.5337 4.7609 4.7609 5.0376 5.0376 k = 0.3095 0.6342-0.0136 ( 10908 PWs) bands (ev): -12.2264 -12.2264 -12.1531 -12.1531 -11.1368 -11.1368 -11.0364 -11.0364 -10.9144 -10.9144 -10.9099 -10.9099 -10.8373 -10.8373 -10.8300 -10.8300 -5.3193 -5.3193 -5.2858 -5.2858 -2.7089 -2.7089 -2.5891 -2.5891 -2.5389 -2.5389 -2.3832 -2.3832 -2.1931 -2.1931 -2.1241 -2.1241 -1.4035 -1.4035 -1.2389 -1.2389 -1.1792 -1.1792 -0.9334 -0.9334 -0.8763 -0.8763 -0.8459 -0.8459 -0.3405 -0.3405 -0.2914 -0.2914 -0.0740 -0.0740 -0.0349 -0.0349 0.1430 0.1430 0.2117 0.2117 0.3485 0.3485 0.4829 0.4829 0.5121 0.5121 0.5312 0.5312 4.7326 4.7326 5.0421 5.0421 k = 0.2857 0.6342-0.0136 ( 10900 PWs) bands (ev): -12.2309 -12.2309 -12.1499 -12.1499 -11.1399 -11.1399 -11.0284 -11.0284 -10.9155 -10.9155 -10.9105 -10.9105 -10.8380 -10.8380 -10.8295 -10.8295 -5.3251 -5.3251 -5.2884 -5.2884 -2.7261 -2.7261 -2.5859 -2.5859 -2.5327 -2.5327 -2.3707 -2.3707 -2.2004 -2.2004 -2.1288 -2.1288 -1.4214 -1.4214 -1.2574 -1.2574 -1.1749 -1.1749 -0.9139 -0.9139 -0.8528 -0.8528 -0.8389 -0.8389 -0.3473 -0.3473 -0.2929 -0.2929 -0.0588 -0.0588 -0.0204 -0.0204 0.1443 0.1443 0.2164 0.2164 0.3500 0.3500 0.4905 0.4905 0.5086 0.5086 0.5293 0.5293 4.7044 4.7044 5.0439 5.0439 k = 0.2619 0.6342-0.0136 ( 10898 PWs) bands (ev): -12.2352 -12.2352 -12.1470 -12.1470 -11.1426 -11.1426 -11.0207 -11.0207 -10.9166 -10.9166 -10.9111 -10.9111 -10.8388 -10.8388 -10.8290 -10.8290 -5.3310 -5.3310 -5.2912 -5.2912 -2.7425 -2.7425 -2.5823 -2.5823 -2.5264 -2.5264 -2.3597 -2.3597 -2.2073 -2.2073 -2.1342 -2.1342 -1.4376 -1.4376 -1.2755 -1.2755 -1.1684 -1.1684 -0.8952 -0.8952 -0.8424 -0.8424 -0.8232 -0.8232 -0.3533 -0.3533 -0.2921 -0.2921 -0.0435 -0.0435 -0.0060 -0.0060 0.1461 0.1461 0.2202 0.2202 0.3534 0.3534 0.4885 0.4885 0.5110 0.5110 0.5296 0.5296 4.6766 4.6766 5.0432 5.0432 k = 0.2381 0.6342-0.0136 ( 10902 PWs) bands (ev): -12.2393 -12.2393 -12.1444 -12.1444 -11.1449 -11.1449 -11.0132 -11.0132 -10.9174 -10.9174 -10.9117 -10.9117 -10.8397 -10.8397 -10.8286 -10.8286 -5.3367 -5.3367 -5.2942 -5.2942 -2.7578 -2.7578 -2.5786 -2.5786 -2.5199 -2.5199 -2.3503 -2.3503 -2.2136 -2.2136 -2.1398 -2.1398 -1.4520 -1.4520 -1.2927 -1.2927 -1.1600 -1.1600 -0.8781 -0.8781 -0.8407 -0.8407 -0.8036 -0.8036 -0.3587 -0.3587 -0.2885 -0.2885 -0.0292 -0.0292 0.0084 0.0084 0.1486 0.1486 0.2231 0.2231 0.3584 0.3584 0.4806 0.4806 0.5124 0.5124 0.5354 0.5354 4.6496 4.6496 5.0400 5.0400 k = 0.2143 0.6342-0.0136 ( 10906 PWs) bands (ev): -12.2430 -12.2430 -12.1421 -12.1421 -11.1469 -11.1469 -11.0061 -11.0061 -10.9181 -10.9181 -10.9121 -10.9121 -10.8409 -10.8409 -10.8283 -10.8283 -5.3422 -5.3422 -5.2972 -5.2972 -2.7720 -2.7720 -2.5747 -2.5747 -2.5136 -2.5136 -2.3427 -2.3427 -2.2195 -2.2195 -2.1455 -2.1455 -1.4647 -1.4647 -1.3086 -1.3086 -1.1504 -1.1504 -0.8635 -0.8635 -0.8405 -0.8405 -0.7863 -0.7863 -0.3635 -0.3635 -0.2819 -0.2819 -0.0169 -0.0169 0.0234 0.0234 0.1516 0.1516 0.2255 0.2255 0.3646 0.3646 0.4708 0.4708 0.5103 0.5103 0.5450 0.5450 4.6236 4.6236 5.0346 5.0346 k = 0.1905 0.6342-0.0136 ( 10904 PWs) bands (ev): -12.2465 -12.2465 -12.1400 -12.1400 -11.1486 -11.1486 -10.9995 -10.9995 -10.9185 -10.9185 -10.9126 -10.9126 -10.8422 -10.8422 -10.8280 -10.8280 -5.3475 -5.3475 -5.3003 -5.3003 -2.7849 -2.7849 -2.5708 -2.5708 -2.5076 -2.5076 -2.3368 -2.3368 -2.2247 -2.2247 -2.1508 -2.1508 -1.4756 -1.4756 -1.3231 -1.3231 -1.1398 -1.1398 -0.8553 -0.8553 -0.8371 -0.8371 -0.7721 -0.7721 -0.3677 -0.3677 -0.2725 -0.2725 -0.0074 -0.0074 0.0388 0.0388 0.1556 0.1556 0.2275 0.2275 0.3718 0.3718 0.4599 0.4599 0.5069 0.5069 0.5557 0.5557 4.5991 4.5991 5.0273 5.0273 k = 0.1667 0.6342-0.0136 ( 10906 PWs) bands (ev): -12.2496 -12.2496 -12.1382 -12.1382 -11.1500 -11.1500 -10.9934 -10.9934 -10.9187 -10.9187 -10.9129 -10.9129 -10.8436 -10.8436 -10.8278 -10.8278 -5.3523 -5.3523 -5.3032 -5.3032 -2.7965 -2.7965 -2.5670 -2.5670 -2.5019 -2.5019 -2.3325 -2.3325 -2.2294 -2.2294 -2.1555 -2.1555 -1.4849 -1.4849 -1.3360 -1.3360 -1.1288 -1.1288 -0.8560 -0.8560 -0.8277 -0.8277 -0.7609 -0.7609 -0.3713 -0.3713 -0.2606 -0.2606 -0.0010 -0.0010 0.0542 0.0542 0.1606 0.1606 0.2292 0.2292 0.3794 0.3794 0.4482 0.4482 0.5030 0.5030 0.5661 0.5661 4.5764 4.5764 5.0185 5.0185 k = 0.1429 0.6342-0.0136 ( 10900 PWs) bands (ev): -12.2523 -12.2523 -12.1367 -12.1367 -11.1512 -11.1512 -10.9881 -10.9881 -10.9185 -10.9185 -10.9132 -10.9132 -10.8451 -10.8451 -10.8277 -10.8277 -5.3567 -5.3567 -5.3060 -5.3060 -2.8067 -2.8067 -2.5634 -2.5634 -2.4968 -2.4968 -2.3297 -2.3297 -2.2335 -2.2335 -2.1596 -2.1596 -1.4927 -1.4927 -1.3473 -1.3473 -1.1179 -1.1179 -0.8603 -0.8603 -0.8174 -0.8174 -0.7525 -0.7525 -0.3745 -0.3745 -0.2469 -0.2469 0.0024 0.0024 0.0685 0.0685 0.1672 0.1672 0.2308 0.2308 0.3870 0.3870 0.4362 0.4362 0.4989 0.4989 0.5757 0.5757 4.5559 4.5559 5.0088 5.0088 k = 0.1190 0.6342-0.0136 ( 10922 PWs) bands (ev): -12.2547 -12.2547 -12.1354 -12.1354 -11.1521 -11.1521 -10.9836 -10.9836 -10.9181 -10.9181 -10.9134 -10.9134 -10.8466 -10.8466 -10.8276 -10.8276 -5.3606 -5.3606 -5.3085 -5.3085 -2.8154 -2.8154 -2.5600 -2.5600 -2.4923 -2.4923 -2.3282 -2.3282 -2.2370 -2.2370 -2.1628 -2.1628 -1.4990 -1.4990 -1.3568 -1.3568 -1.1075 -1.1075 -0.8656 -0.8656 -0.8083 -0.8083 -0.7463 -0.7463 -0.3771 -0.3771 -0.2323 -0.2323 0.0034 0.0034 0.0809 0.0809 0.1754 0.1754 0.2323 0.2323 0.3936 0.3936 0.4246 0.4246 0.4949 0.4949 0.5843 0.5843 4.5378 4.5378 4.9990 4.9990 k = 0.0952 0.6342-0.0136 ( 10932 PWs) bands (ev): -12.2566 -12.2566 -12.1343 -12.1343 -11.1529 -11.1529 -10.9799 -10.9799 -10.9174 -10.9174 -10.9136 -10.9136 -10.8481 -10.8481 -10.8276 -10.8276 -5.3638 -5.3638 -5.3106 -5.3106 -2.8226 -2.8226 -2.5571 -2.5571 -2.4885 -2.4885 -2.3275 -2.3275 -2.2399 -2.2399 -2.1653 -2.1653 -1.5039 -1.5039 -1.3646 -1.3646 -1.0981 -1.0981 -0.8711 -0.8711 -0.8008 -0.8008 -0.7419 -0.7419 -0.3793 -0.3793 -0.2178 -0.2178 0.0024 0.0024 0.0906 0.0906 0.1852 0.1852 0.2337 0.2337 0.3971 0.3971 0.4158 0.4158 0.4910 0.4910 0.5917 0.5917 4.5226 4.5226 4.9897 4.9897 k = 0.0714 0.6342-0.0136 ( 10932 PWs) bands (ev): -12.2581 -12.2581 -12.1335 -12.1335 -11.1534 -11.1534 -10.9771 -10.9771 -10.9167 -10.9167 -10.9137 -10.9137 -10.8495 -10.8495 -10.8275 -10.8275 -5.3664 -5.3664 -5.3123 -5.3123 -2.8282 -2.8282 -2.5546 -2.5546 -2.4855 -2.4855 -2.3275 -2.3275 -2.2421 -2.2421 -2.1671 -2.1671 -1.5077 -1.5077 -1.3707 -1.3707 -1.0901 -1.0901 -0.8760 -0.8760 -0.7951 -0.7951 -0.7388 -0.7388 -0.3809 -0.3809 -0.2046 -0.2046 0.0003 0.0003 0.0977 0.0977 0.1957 0.1957 0.2346 0.2346 0.3929 0.3929 0.4147 0.4147 0.4876 0.4876 0.5976 0.5976 4.5104 4.5104 4.9816 4.9816 k = 0.0476 0.6342-0.0136 ( 10938 PWs) bands (ev): -12.2592 -12.2592 -12.1329 -12.1329 -11.1538 -11.1538 -10.9751 -10.9751 -10.9160 -10.9160 -10.9138 -10.9138 -10.8505 -10.8505 -10.8275 -10.8275 -5.3683 -5.3683 -5.3136 -5.3136 -2.8322 -2.8322 -2.5528 -2.5528 -2.4833 -2.4833 -2.3277 -2.3277 -2.2437 -2.2437 -2.1682 -2.1682 -1.5103 -1.5103 -1.3750 -1.3750 -1.0840 -1.0840 -0.8800 -0.8800 -0.7912 -0.7912 -0.7368 -0.7368 -0.3821 -0.3821 -0.1939 -0.1939 -0.0023 -0.0023 0.1023 0.1023 0.2055 0.2055 0.2351 0.2351 0.3851 0.3851 0.4176 0.4176 0.4848 0.4848 0.6019 0.6019 4.5015 4.5015 4.9754 4.9754 k = 0.0238 0.6342-0.0136 ( 10946 PWs) bands (ev): -12.2599 -12.2599 -12.1326 -12.1326 -11.1541 -11.1541 -10.9739 -10.9739 -10.9155 -10.9155 -10.9139 -10.9139 -10.8512 -10.8512 -10.8275 -10.8275 -5.3694 -5.3694 -5.3143 -5.3143 -2.8346 -2.8346 -2.5517 -2.5517 -2.4820 -2.4820 -2.3279 -2.3279 -2.2447 -2.2447 -2.1689 -2.1689 -1.5118 -1.5118 -1.3776 -1.3776 -1.0802 -1.0802 -0.8826 -0.8826 -0.7889 -0.7889 -0.7356 -0.7356 -0.3828 -0.3828 -0.1868 -0.1868 -0.0043 -0.0043 0.1049 0.1049 0.2128 0.2128 0.2350 0.2350 0.3791 0.3791 0.4202 0.4202 0.4829 0.4829 0.6045 0.6045 4.4961 4.4961 4.9714 4.9714 k = 0.0000 0.6342-0.0136 ( 10942 PWs) bands (ev): -12.2601 -12.2601 -12.1325 -12.1325 -11.1541 -11.1541 -10.9735 -10.9735 -10.9153 -10.9153 -10.9139 -10.9139 -10.8514 -10.8514 -10.8275 -10.8275 -5.3698 -5.3698 -5.3146 -5.3146 -2.8354 -2.8354 -2.5513 -2.5513 -2.4815 -2.4815 -2.3280 -2.3280 -2.2450 -2.2450 -2.1691 -2.1691 -1.5123 -1.5123 -1.3784 -1.3784 -1.0789 -1.0789 -0.8835 -0.8835 -0.7881 -0.7881 -0.7353 -0.7353 -0.3830 -0.3830 -0.1844 -0.1844 -0.0051 -0.0051 0.1058 0.1058 0.2156 0.2156 0.2348 0.2348 0.3769 0.3769 0.4211 0.4211 0.4822 0.4822 0.6054 0.6054 4.4943 4.4943 4.9701 4.9701 k = 0.0000 0.6342-0.0136 ( 10942 PWs) bands (ev): -12.2601 -12.2601 -12.1325 -12.1325 -11.1541 -11.1541 -10.9735 -10.9735 -10.9153 -10.9153 -10.9139 -10.9139 -10.8514 -10.8514 -10.8275 -10.8275 -5.3698 -5.3698 -5.3146 -5.3146 -2.8354 -2.8354 -2.5513 -2.5513 -2.4815 -2.4815 -2.3280 -2.3280 -2.2450 -2.2450 -2.1691 -2.1691 -1.5123 -1.5123 -1.3784 -1.3784 -1.0789 -1.0789 -0.8835 -0.8835 -0.7881 -0.7881 -0.7353 -0.7353 -0.3830 -0.3830 -0.1844 -0.1844 -0.0051 -0.0051 0.1058 0.1058 0.2156 0.2156 0.2348 0.2348 0.3769 0.3769 0.4211 0.4211 0.4822 0.4822 0.6054 0.6054 4.4943 4.4943 4.9701 4.9701 k = 0.0000 0.6347 0.0104 ( 10942 PWs) bands (ev): -12.2600 -12.2600 -12.1325 -12.1325 -11.1540 -11.1540 -10.9737 -10.9737 -10.9153 -10.9153 -10.9138 -10.9138 -10.8515 -10.8515 -10.8277 -10.8277 -5.3696 -5.3696 -5.3144 -5.3144 -2.8353 -2.8353 -2.5598 -2.5598 -2.4730 -2.4730 -2.3275 -2.3275 -2.2444 -2.2444 -2.1690 -2.1690 -1.5120 -1.5120 -1.3823 -1.3823 -1.0749 -1.0749 -0.8854 -0.8854 -0.7880 -0.7880 -0.7336 -0.7336 -0.3825 -0.3825 -0.1851 -0.1851 -0.0049 -0.0049 0.1046 0.1046 0.2148 0.2148 0.2359 0.2359 0.3765 0.3765 0.4206 0.4206 0.4819 0.4819 0.6051 0.6051 4.4944 4.4944 4.9700 4.9700 k = 0.0000 0.6352 0.0343 ( 10937 PWs) bands (ev): -12.2594 -12.2594 -12.1325 -12.1325 -11.1537 -11.1537 -10.9743 -10.9743 -10.9154 -10.9154 -10.9137 -10.9137 -10.8517 -10.8517 -10.8283 -10.8283 -5.3690 -5.3690 -5.3140 -5.3140 -2.8348 -2.8348 -2.5784 -2.5784 -2.4542 -2.4542 -2.3259 -2.3259 -2.2426 -2.2426 -2.1685 -2.1685 -1.5112 -1.5112 -1.3931 -1.3931 -1.0637 -1.0637 -0.8909 -0.8909 -0.7882 -0.7882 -0.7285 -0.7285 -0.3811 -0.3811 -0.1873 -0.1873 -0.0041 -0.0041 0.1012 0.1012 0.2129 0.2129 0.2386 0.2386 0.3754 0.3754 0.4192 0.4192 0.4809 0.4809 0.6044 0.6044 4.4947 4.4947 4.9696 4.9696 k = 0.0000 0.6357 0.0582 ( 10929 PWs) bands (ev): -12.2585 -12.2585 -12.1325 -12.1325 -11.1531 -11.1531 -10.9753 -10.9753 -10.9156 -10.9156 -10.9135 -10.9135 -10.8521 -10.8521 -10.8293 -10.8293 -5.3681 -5.3681 -5.3132 -5.3132 -2.8339 -2.8339 -2.6005 -2.6005 -2.4319 -2.4319 -2.3232 -2.3232 -2.2396 -2.2396 -2.1678 -2.1678 -1.5099 -1.5099 -1.4094 -1.4094 -1.0467 -1.0467 -0.8990 -0.8990 -0.7897 -0.7897 -0.7198 -0.7198 -0.3787 -0.3787 -0.1908 -0.1908 -0.0029 -0.0029 0.0956 0.0956 0.2106 0.2106 0.2424 0.2424 0.3736 0.3736 0.4169 0.4169 0.4792 0.4792 0.6032 0.6032 4.4950 4.4950 4.9689 4.9689 k = 0.0000 0.6362 0.0821 ( 10927 PWs) bands (ev): -12.2573 -12.2573 -12.1325 -12.1325 -11.1523 -11.1523 -10.9767 -10.9767 -10.9157 -10.9157 -10.9133 -10.9133 -10.8526 -10.8526 -10.8307 -10.8307 -5.3668 -5.3668 -5.3121 -5.3121 -2.8328 -2.8328 -2.6236 -2.6236 -2.4084 -2.4084 -2.3195 -2.3195 -2.2356 -2.2356 -2.1667 -2.1667 -1.5079 -1.5079 -1.4294 -1.4294 -1.0258 -1.0258 -0.9089 -0.9089 -0.7930 -0.7930 -0.7081 -0.7081 -0.3753 -0.3753 -0.1956 -0.1956 -0.0015 -0.0015 0.0878 0.0878 0.2083 0.2083 0.2468 0.2468 0.3711 0.3711 0.4139 0.4139 0.4768 0.4768 0.6015 0.6015 4.4954 4.4954 4.9680 4.9680 k = 0.0000 0.6367 0.1060 ( 10920 PWs) bands (ev): -12.2557 -12.2557 -12.1325 -12.1325 -11.1513 -11.1513 -10.9784 -10.9784 -10.9158 -10.9158 -10.9131 -10.9131 -10.8532 -10.8532 -10.8323 -10.8323 -5.3653 -5.3653 -5.3108 -5.3108 -2.8313 -2.8313 -2.6469 -2.6469 -2.3848 -2.3848 -2.3148 -2.3148 -2.2305 -2.2305 -2.1654 -2.1654 -1.5054 -1.5054 -1.4516 -1.4516 -1.0025 -1.0025 -0.9200 -0.9200 -0.7983 -0.7983 -0.6939 -0.6939 -0.3709 -0.3709 -0.2016 -0.2016 -0.0000 -0.0000 0.0782 0.0782 0.2064 0.2064 0.2516 0.2516 0.3679 0.3679 0.4105 0.4105 0.4738 0.4738 0.5993 0.5993 4.4958 4.4958 4.9669 4.9669 k = 0.0000 0.6372 0.1299 ( 10922 PWs) bands (ev): -12.2538 -12.2538 -12.1326 -12.1326 -11.1501 -11.1501 -10.9806 -10.9806 -10.9160 -10.9160 -10.9129 -10.9129 -10.8539 -10.8539 -10.8344 -10.8344 -5.3634 -5.3634 -5.3092 -5.3092 -2.8294 -2.8294 -2.6698 -2.6698 -2.3615 -2.3615 -2.3092 -2.3092 -2.2244 -2.2244 -2.1638 -2.1638 -1.5024 -1.5024 -1.4747 -1.4747 -0.9784 -0.9784 -0.9318 -0.9318 -0.8054 -0.8054 -0.6779 -0.6779 -0.3654 -0.3654 -0.2087 -0.2087 0.0011 0.0011 0.0671 0.0671 0.2051 0.2051 0.2567 0.2567 0.3639 0.3639 0.4069 0.4069 0.4702 0.4702 0.5966 0.5966 4.4960 4.4960 4.9654 4.9654 k = 0.0000 0.6378 0.1538 ( 10919 PWs) bands (ev): -12.2516 -12.2516 -12.1327 -12.1327 -11.1486 -11.1486 -10.9831 -10.9831 -10.9161 -10.9161 -10.9126 -10.9126 -10.8547 -10.8547 -10.8366 -10.8366 -5.3613 -5.3613 -5.3074 -5.3074 -2.8273 -2.8273 -2.6922 -2.6922 -2.3387 -2.3387 -2.3026 -2.3026 -2.2175 -2.2175 -2.1619 -2.1619 -1.5042 -1.5042 -1.4925 -1.4925 -0.9570 -0.9570 -0.9414 -0.9414 -0.8142 -0.8142 -0.6607 -0.6607 -0.3589 -0.3589 -0.2166 -0.2166 0.0011 0.0011 0.0553 0.0553 0.2046 0.2046 0.2621 0.2621 0.3593 0.3593 0.4032 0.4032 0.4660 0.4660 0.5934 0.5934 4.4959 4.4959 4.9638 4.9638 k = 0.0000 0.6383 0.1777 ( 10923 PWs) bands (ev): -12.2492 -12.2492 -12.1329 -12.1329 -11.1469 -11.1469 -10.9860 -10.9860 -10.9162 -10.9162 -10.9124 -10.9124 -10.8556 -10.8556 -10.8391 -10.8391 -5.3589 -5.3589 -5.3054 -5.3054 -2.8249 -2.8249 -2.7139 -2.7139 -2.3167 -2.3167 -2.2950 -2.2950 -2.2101 -2.2101 -2.1596 -2.1596 -1.5250 -1.5250 -1.4902 -1.4902 -0.9612 -0.9612 -0.9268 -0.9268 -0.8244 -0.8244 -0.6426 -0.6426 -0.3513 -0.3513 -0.2251 -0.2251 -0.0012 -0.0012 0.0440 0.0440 0.2050 0.2050 0.2678 0.2678 0.3539 0.3539 0.3998 0.3998 0.4614 0.4614 0.5897 0.5897 4.4955 4.4955 4.9618 4.9618 k = 0.0000 0.6388 0.2016 ( 10909 PWs) bands (ev): -12.2465 -12.2465 -12.1331 -12.1331 -11.1450 -11.1450 -10.9893 -10.9893 -10.9163 -10.9163 -10.9122 -10.9122 -10.8565 -10.8565 -10.8418 -10.8418 -5.3564 -5.3564 -5.3033 -5.3033 -2.8222 -2.8222 -2.7348 -2.7348 -2.2961 -2.2961 -2.2861 -2.2861 -2.2024 -2.2024 -2.1568 -2.1568 -1.5480 -1.5480 -1.4839 -1.4839 -0.9747 -0.9747 -0.9052 -0.9052 -0.8354 -0.8354 -0.6240 -0.6240 -0.3426 -0.3426 -0.2340 -0.2340 -0.0077 -0.0077 0.0352 0.0352 0.2064 0.2064 0.2737 0.2737 0.3481 0.3481 0.3967 0.3967 0.4562 0.4562 0.5854 0.5854 4.4946 4.4946 4.9595 4.9595 k = 0.0000 0.6393 0.2256 ( 10896 PWs) bands (ev): -12.2436 -12.2436 -12.1334 -12.1334 -11.1428 -11.1428 -10.9929 -10.9929 -10.9164 -10.9164 -10.9119 -10.9119 -10.8574 -10.8574 -10.8446 -10.8446 -5.3537 -5.3537 -5.3011 -5.3011 -2.8193 -2.8193 -2.7547 -2.7547 -2.2802 -2.2802 -2.2728 -2.2728 -2.1948 -2.1948 -2.1533 -2.1533 -1.5704 -1.5704 -1.4761 -1.4761 -0.9893 -0.9893 -0.8881 -0.8881 -0.8445 -0.8445 -0.6053 -0.6053 -0.3329 -0.3329 -0.2430 -0.2430 -0.0193 -0.0193 0.0301 0.0301 0.2087 0.2087 0.2799 0.2799 0.3419 0.3419 0.3940 0.3940 0.4507 0.4507 0.5807 0.5807 4.4932 4.4932 4.9569 4.9569 k = 0.0000 0.6398 0.2495 ( 10909 PWs) bands (ev): -12.2405 -12.2405 -12.1338 -12.1338 -11.1403 -11.1403 -10.9969 -10.9969 -10.9165 -10.9165 -10.9117 -10.9117 -10.8583 -10.8583 -10.8475 -10.8475 -5.3510 -5.3510 -5.2989 -5.2989 -2.8162 -2.8162 -2.7735 -2.7735 -2.2694 -2.2694 -2.2549 -2.2549 -2.1878 -2.1878 -2.1488 -2.1488 -1.5918 -1.5918 -1.4668 -1.4668 -1.0047 -1.0047 -0.8850 -0.8850 -0.8426 -0.8426 -0.5867 -0.5867 -0.3222 -0.3222 -0.2519 -0.2519 -0.0346 -0.0346 0.0274 0.0274 0.2121 0.2121 0.2862 0.2862 0.3357 0.3357 0.3917 0.3917 0.4448 0.4448 0.5754 0.5754 4.4912 4.4912 4.9541 4.9541 k = 0.0000 0.6403 0.2734 ( 10902 PWs) bands (ev): -12.2374 -12.2374 -12.1342 -12.1342 -11.1377 -11.1377 -11.0012 -11.0012 -10.9166 -10.9166 -10.9115 -10.9115 -10.8592 -10.8592 -10.8504 -10.8504 -5.3483 -5.3483 -5.2966 -5.2966 -2.8132 -2.8132 -2.7909 -2.7909 -2.2588 -2.2588 -2.2374 -2.2374 -2.1819 -2.1819 -2.1430 -2.1430 -1.6119 -1.6119 -1.4560 -1.4560 -1.0206 -1.0206 -0.8970 -0.8970 -0.8289 -0.8289 -0.5685 -0.5685 -0.3107 -0.3107 -0.2603 -0.2603 -0.0520 -0.0520 0.0257 0.0257 0.2163 0.2163 0.2926 0.2926 0.3298 0.3298 0.3898 0.3898 0.4387 0.4387 0.5695 0.5695 4.4887 4.4887 4.9509 4.9509 k = 0.0000 0.6408 0.2973 ( 10897 PWs) bands (ev): -12.2341 -12.2341 -12.1348 -12.1348 -11.1348 -11.1348 -11.0057 -11.0057 -10.9166 -10.9166 -10.9113 -10.9113 -10.8601 -10.8601 -10.8532 -10.8532 -5.3455 -5.3455 -5.2944 -5.2944 -2.8122 -2.8122 -2.8051 -2.8051 -2.2479 -2.2479 -2.2213 -2.2213 -2.1772 -2.1772 -2.1361 -2.1361 -1.6305 -1.6305 -1.4437 -1.4437 -1.0370 -1.0370 -0.9148 -0.9148 -0.8130 -0.8130 -0.5510 -0.5510 -0.2986 -0.2986 -0.2680 -0.2680 -0.0701 -0.0701 0.0241 0.0241 0.2212 0.2212 0.2984 0.2984 0.3250 0.3250 0.3883 0.3883 0.4325 0.4325 0.5632 0.5632 4.4857 4.4857 4.9474 4.9474 k = 0.0000 0.6413 0.3212 ( 10901 PWs) bands (ev): -12.2308 -12.2308 -12.1354 -12.1354 -11.1317 -11.1317 -11.0105 -11.0105 -10.9167 -10.9167 -10.9112 -10.9112 -10.8610 -10.8610 -10.8559 -10.8559 -5.3429 -5.3429 -5.2922 -5.2922 -2.8239 -2.8239 -2.8053 -2.8053 -2.2367 -2.2367 -2.2068 -2.2068 -2.1733 -2.1733 -2.1283 -2.1283 -1.6475 -1.6475 -1.4298 -1.4298 -1.0535 -1.0535 -0.9354 -0.9354 -0.7977 -0.7977 -0.5343 -0.5343 -0.2866 -0.2866 -0.2741 -0.2741 -0.0884 -0.0884 0.0223 0.0223 0.2267 0.2267 0.3021 0.3021 0.3229 0.3229 0.3872 0.3872 0.4262 0.4262 0.5562 0.5562 4.4824 4.4824 4.9438 4.9438 k = 0.0000 0.6418 0.3451 ( 10908 PWs) bands (ev): -12.2275 -12.2275 -12.1361 -12.1361 -11.1285 -11.1285 -11.0154 -11.0154 -10.9167 -10.9167 -10.9110 -10.9110 -10.8620 -10.8620 -10.8584 -10.8584 -5.3404 -5.3404 -5.2902 -5.2902 -2.8374 -2.8374 -2.8024 -2.8024 -2.2253 -2.2253 -2.1942 -2.1942 -2.1699 -2.1699 -2.1202 -2.1202 -1.6629 -1.6629 -1.4143 -1.4143 -1.0701 -1.0701 -0.9578 -0.9578 -0.7840 -0.7840 -0.5187 -0.5187 -0.2832 -0.2832 -0.2704 -0.2704 -0.1063 -0.1063 0.0201 0.0201 0.2324 0.2324 0.3018 0.3018 0.3253 0.3253 0.3864 0.3864 0.4203 0.4203 0.5488 0.5488 4.4787 4.4787 4.9399 4.9399 k = 0.0000 0.6424 0.3690 ( 10905 PWs) bands (ev): -12.2243 -12.2243 -12.1369 -12.1369 -11.1251 -11.1251 -11.0204 -11.0204 -10.9167 -10.9167 -10.9109 -10.9109 -10.8631 -10.8631 -10.8604 -10.8604 -5.3380 -5.3380 -5.2882 -5.2882 -2.8497 -2.8497 -2.7993 -2.7993 -2.2140 -2.2140 -2.1842 -2.1842 -2.1661 -2.1661 -2.1123 -2.1123 -1.6766 -1.6766 -1.3971 -1.3971 -1.0864 -1.0864 -0.9818 -0.9818 -0.7719 -0.7719 -0.5044 -0.5044 -0.2872 -0.2872 -0.2581 -0.2581 -0.1234 -0.1234 0.0175 0.0175 0.2383 0.2383 0.2990 0.2990 0.3307 0.3307 0.3860 0.3860 0.4148 0.4148 0.5409 0.5409 4.4749 4.4749 4.9360 4.9360 k = 0.0000 0.6429 0.3929 ( 10911 PWs) bands (ev): -12.2213 -12.2213 -12.1377 -12.1377 -11.1215 -11.1215 -11.0254 -11.0254 -10.9167 -10.9167 -10.9107 -10.9107 -10.8647 -10.8647 -10.8617 -10.8617 -5.3359 -5.3359 -5.2864 -5.2864 -2.8607 -2.8607 -2.7965 -2.7965 -2.2031 -2.2031 -2.1773 -2.1773 -2.1609 -2.1609 -2.1049 -2.1049 -1.6885 -1.6885 -1.3784 -1.3784 -1.1022 -1.1022 -1.0068 -1.0068 -0.7615 -0.7615 -0.4916 -0.4916 -0.2908 -0.2908 -0.2454 -0.2454 -0.1394 -0.1394 0.0146 0.0146 0.2438 0.2438 0.2958 0.2958 0.3365 0.3365 0.3860 0.3860 0.4105 0.4105 0.5326 0.5326 4.4710 4.4710 4.9322 4.9322 k = 0.0000 0.6434 0.4168 ( 10913 PWs) bands (ev): -12.2185 -12.2185 -12.1385 -12.1385 -11.1180 -11.1180 -11.0303 -11.0303 -10.9167 -10.9167 -10.9107 -10.9107 -10.8665 -10.8665 -10.8625 -10.8625 -5.3340 -5.3340 -5.2848 -5.2848 -2.8701 -2.8701 -2.7939 -2.7939 -2.1931 -2.1931 -2.1730 -2.1730 -2.1547 -2.1547 -2.0983 -2.0983 -1.6987 -1.6987 -1.3582 -1.3582 -1.1171 -1.1171 -1.0325 -1.0325 -0.7529 -0.7529 -0.4805 -0.4805 -0.2933 -0.2933 -0.2333 -0.2333 -0.1539 -0.1539 0.0115 0.0115 0.2489 0.2489 0.2931 0.2931 0.3413 0.3413 0.3863 0.3863 0.4081 0.4081 0.5238 0.5238 4.4672 4.4672 4.9285 4.9285 k = 0.0000 0.6439 0.4408 ( 10914 PWs) bands (ev): -12.2160 -12.2160 -12.1393 -12.1393 -11.1145 -11.1145 -11.0349 -11.0349 -10.9167 -10.9167 -10.9106 -10.9106 -10.8681 -10.8681 -10.8630 -10.8630 -5.3324 -5.3324 -5.2834 -5.2834 -2.8780 -2.8780 -2.7917 -2.7917 -2.1847 -2.1847 -2.1696 -2.1696 -2.1488 -2.1488 -2.0927 -2.0927 -1.7072 -1.7072 -1.3367 -1.3367 -1.1310 -1.1310 -1.0582 -1.0582 -0.7459 -0.7459 -0.4711 -0.4711 -0.2948 -0.2948 -0.2222 -0.2222 -0.1667 -0.1667 0.0083 0.0083 0.2531 0.2531 0.2916 0.2916 0.3440 0.3440 0.3865 0.3865 0.4086 0.4086 0.5149 0.5149 4.4637 4.4637 4.9251 4.9251 k = 0.0000 0.6444 0.4647 ( 10913 PWs) bands (ev): -12.2139 -12.2139 -12.1401 -12.1401 -11.1113 -11.1113 -11.0392 -11.0392 -10.9166 -10.9166 -10.9106 -10.9106 -10.8696 -10.8696 -10.8634 -10.8634 -5.3312 -5.3312 -5.2822 -5.2822 -2.8843 -2.8843 -2.7899 -2.7899 -2.1789 -2.1789 -2.1656 -2.1656 -2.1438 -2.1438 -2.0883 -2.0883 -1.7139 -1.7139 -1.3144 -1.3144 -1.1438 -1.1438 -1.0830 -1.0830 -0.7404 -0.7404 -0.4635 -0.4635 -0.2955 -0.2955 -0.2126 -0.2126 -0.1772 -0.1772 0.0052 0.0052 0.2561 0.2561 0.2913 0.2913 0.3443 0.3443 0.3864 0.3864 0.4121 0.4121 0.5061 0.5061 4.4606 4.4606 4.9222 4.9222 k = 0.0000 0.6449 0.4886 ( 10920 PWs) bands (ev): -12.2122 -12.2122 -12.1407 -12.1407 -11.1085 -11.1085 -11.0427 -11.0427 -10.9166 -10.9166 -10.9105 -10.9105 -10.8707 -10.8707 -10.8636 -10.8636 -5.3303 -5.3303 -5.2812 -5.2812 -2.8891 -2.8891 -2.7885 -2.7885 -2.1757 -2.1757 -2.1610 -2.1610 -2.1400 -2.1400 -2.0850 -2.0850 -1.7190 -1.7190 -1.2920 -1.2920 -1.1561 -1.1561 -1.1051 -1.1051 -0.7364 -0.7364 -0.4577 -0.4577 -0.2956 -0.2956 -0.2054 -0.2054 -0.1850 -0.1850 0.0026 0.0026 0.2578 0.2578 0.2922 0.2922 0.3428 0.3428 0.3862 0.3862 0.4177 0.4177 0.4977 0.4977 4.4580 4.4580 4.9199 4.9199 k = 0.0000 0.6454 0.5125 ( 10918 PWs) bands (ev): -12.2110 -12.2110 -12.1411 -12.1411 -11.1063 -11.1063 -11.0454 -11.0454 -10.9165 -10.9165 -10.9106 -10.9106 -10.8716 -10.8716 -10.8637 -10.8637 -5.3298 -5.3298 -5.2804 -5.2804 -2.8922 -2.8922 -2.7876 -2.7876 -2.1740 -2.1740 -2.1572 -2.1572 -2.1376 -2.1376 -2.0828 -2.0828 -1.7224 -1.7224 -1.2710 -1.2710 -1.1686 -1.1686 -1.1219 -1.1219 -0.7339 -0.7339 -0.4539 -0.4539 -0.2953 -0.2953 -0.2018 -0.2018 -0.1886 -0.1886 0.0005 0.0005 0.2585 0.2585 0.2938 0.2938 0.3405 0.3405 0.3862 0.3862 0.4235 0.4235 0.4907 0.4907 4.4561 4.4561 4.9182 4.9182 k = 0.0000 0.6459 0.5364 ( 10919 PWs) bands (ev): -12.2104 -12.2104 -12.1414 -12.1414 -11.1051 -11.1051 -11.0468 -11.0468 -10.9165 -10.9165 -10.9106 -10.9106 -10.8721 -10.8721 -10.8637 -10.8637 -5.3296 -5.3296 -5.2799 -5.2799 -2.8936 -2.8936 -2.7873 -2.7873 -2.1730 -2.1730 -2.1553 -2.1553 -2.1366 -2.1366 -2.0816 -2.0816 -1.7242 -1.7242 -1.2560 -1.2560 -1.1788 -1.1788 -1.1309 -1.1309 -0.7327 -0.7327 -0.4520 -0.4520 -0.2949 -0.2949 -0.2016 -0.2016 -0.1885 -0.1885 -0.0007 -0.0007 0.2585 0.2585 0.2950 0.2950 0.3385 0.3385 0.3863 0.3863 0.4274 0.4274 0.4864 0.4864 4.4548 4.4548 4.9173 4.9173 k = 0.5000 0.6224 0.5635 ( 10900 PWs) bands (ev): -12.1659 -12.1659 -12.1659 -12.1659 -11.0497 -11.0497 -11.0497 -11.0497 -10.9493 -10.9493 -10.9493 -10.9493 -10.8825 -10.8825 -10.8825 -10.8825 -5.2335 -5.2335 -5.2335 -5.2335 -2.7337 -2.7337 -2.7336 -2.7336 -2.2691 -2.2691 -2.2688 -2.2688 -2.1165 -2.1165 -2.1163 -2.1163 -1.3454 -1.3454 -1.3452 -1.3452 -1.1983 -1.1983 -1.1969 -1.1969 -0.8164 -0.8164 -0.8153 -0.8153 -0.3051 -0.3051 -0.3027 -0.3027 -0.1707 -0.1707 -0.1683 -0.1683 0.1823 0.1823 0.1835 0.1835 0.3614 0.3614 0.3621 0.3621 0.5034 0.5034 0.5048 0.5048 4.9293 4.9293 4.9295 4.9295 k = 0.5000 0.5985 0.5635 ( 10904 PWs) bands (ev): -12.1667 -12.1667 -12.1667 -12.1667 -11.0485 -11.0485 -11.0485 -11.0485 -10.9509 -10.9509 -10.9508 -10.9508 -10.8810 -10.8810 -10.8809 -10.8809 -5.2336 -5.2336 -5.2336 -5.2336 -2.7330 -2.7330 -2.7329 -2.7329 -2.2699 -2.2699 -2.2692 -2.2692 -2.1241 -2.1241 -2.1240 -2.1240 -1.3419 -1.3419 -1.3413 -1.3413 -1.1970 -1.1970 -1.1939 -1.1939 -0.8144 -0.8144 -0.8123 -0.8123 -0.3066 -0.3066 -0.3009 -0.3009 -0.1707 -0.1707 -0.1653 -0.1653 0.1815 0.1815 0.1823 0.1823 0.3554 0.3554 0.3593 0.3593 0.5040 0.5040 0.5074 0.5074 4.9308 4.9308 4.9311 4.9311 k = 0.5000 0.5745 0.5635 ( 10910 PWs) bands (ev): -12.1682 -12.1682 -12.1682 -12.1682 -11.0461 -11.0461 -11.0460 -11.0460 -10.9537 -10.9537 -10.9535 -10.9535 -10.8782 -10.8782 -10.8781 -10.8781 -5.2338 -5.2338 -5.2338 -5.2338 -2.7318 -2.7318 -2.7317 -2.7317 -2.2707 -2.2707 -2.2698 -2.2698 -2.1392 -2.1392 -2.1390 -2.1390 -1.3350 -1.3350 -1.3340 -1.3340 -1.1933 -1.1933 -1.1884 -1.1884 -0.8106 -0.8106 -0.8075 -0.8075 -0.3076 -0.3076 -0.2987 -0.2987 -0.1688 -0.1688 -0.1606 -0.1606 0.1793 0.1793 0.1797 0.1797 0.3465 0.3465 0.3530 0.3530 0.5057 0.5057 0.5108 0.5108 4.9336 4.9336 4.9341 4.9341 k = 0.5000 0.5506 0.5635 ( 10912 PWs) bands (ev): -12.1705 -12.1705 -12.1705 -12.1705 -11.0426 -11.0426 -11.0425 -11.0425 -10.9574 -10.9574 -10.9572 -10.9572 -10.8744 -10.8744 -10.8743 -10.8743 -5.2342 -5.2342 -5.2341 -5.2341 -2.7301 -2.7301 -2.7300 -2.7300 -2.2719 -2.2719 -2.2705 -2.2705 -2.1608 -2.1608 -2.1606 -2.1606 -1.3253 -1.3253 -1.3240 -1.3240 -1.1872 -1.1872 -1.1806 -1.1806 -0.8050 -0.8050 -0.8010 -0.8010 -0.3080 -0.3080 -0.2962 -0.2962 -0.1653 -0.1653 -0.1544 -0.1544 0.1753 0.1753 0.1755 0.1755 0.3359 0.3359 0.3443 0.3443 0.5078 0.5078 0.5140 0.5140 4.9377 4.9377 4.9384 4.9384 k = 0.5000 0.5267 0.5635 ( 10906 PWs) bands (ev): -12.1735 -12.1735 -12.1735 -12.1735 -11.0381 -11.0381 -11.0380 -11.0380 -10.9616 -10.9616 -10.9614 -10.9614 -10.8700 -10.8700 -10.8698 -10.8698 -5.2347 -5.2347 -5.2346 -5.2346 -2.7280 -2.7280 -2.7279 -2.7279 -2.2735 -2.2735 -2.2716 -2.2716 -2.1878 -2.1878 -2.1874 -2.1874 -1.3135 -1.3135 -1.3119 -1.3119 -1.1790 -1.1790 -1.1707 -1.1707 -0.7978 -0.7978 -0.7929 -0.7929 -0.3076 -0.3076 -0.2931 -0.2931 -0.1604 -0.1604 -0.1471 -0.1471 0.1691 0.1691 0.1692 0.1692 0.3249 0.3249 0.3345 0.3345 0.5096 0.5096 0.5163 0.5163 4.9430 4.9430 4.9438 4.9438 k = 0.5000 0.5027 0.5635 ( 10910 PWs) bands (ev): -12.1771 -12.1771 -12.1771 -12.1771 -11.0327 -11.0327 -11.0325 -11.0325 -10.9662 -10.9662 -10.9659 -10.9659 -10.8651 -10.8651 -10.8649 -10.8649 -5.2352 -5.2352 -5.2352 -5.2352 -2.7254 -2.7254 -2.7252 -2.7252 -2.2766 -2.2766 -2.2739 -2.2739 -2.2184 -2.2184 -2.2174 -2.2174 -1.3004 -1.3004 -1.2985 -1.2985 -1.1688 -1.1688 -1.1589 -1.1589 -0.7892 -0.7892 -0.7835 -0.7835 -0.3063 -0.3063 -0.2893 -0.2893 -0.1543 -0.1543 -0.1389 -0.1389 0.1602 0.1602 0.1606 0.1606 0.3147 0.3147 0.3248 0.3248 0.5102 0.5102 0.5173 0.5173 4.9495 4.9495 4.9505 4.9505 k = 0.5000 0.4788 0.5635 ( 10906 PWs) bands (ev): -12.1813 -12.1813 -12.1813 -12.1813 -11.0266 -11.0266 -11.0264 -11.0264 -10.9708 -10.9708 -10.9704 -10.9704 -10.8599 -10.8599 -10.8597 -10.8597 -5.2359 -5.2359 -5.2358 -5.2358 -2.7223 -2.7223 -2.7222 -2.7222 -2.2850 -2.2850 -2.2812 -2.2812 -2.2476 -2.2476 -2.2458 -2.2458 -1.2864 -1.2864 -1.2842 -1.2842 -1.1569 -1.1569 -1.1455 -1.1455 -0.7793 -0.7793 -0.7729 -0.7729 -0.3040 -0.3040 -0.2847 -0.2847 -0.1473 -0.1473 -0.1302 -0.1302 0.1484 0.1484 0.1493 0.1493 0.3061 0.3061 0.3161 0.3161 0.5094 0.5094 0.5165 0.5165 4.9571 4.9571 4.9582 4.9582 k = 0.5000 0.4548 0.5635 ( 10900 PWs) bands (ev): -12.1860 -12.1860 -12.1860 -12.1860 -11.0202 -11.0202 -11.0199 -11.0199 -10.9751 -10.9751 -10.9746 -10.9746 -10.8546 -10.8546 -10.8544 -10.8544 -5.2366 -5.2366 -5.2366 -5.2366 -2.7188 -2.7188 -2.7187 -2.7187 -2.3088 -2.3088 -2.3056 -2.3056 -2.2624 -2.2624 -2.2614 -2.2614 -1.2719 -1.2719 -1.2694 -1.2694 -1.1437 -1.1437 -1.1310 -1.1310 -0.7685 -0.7685 -0.7613 -0.7613 -0.3005 -0.3005 -0.2791 -0.2791 -0.1399 -0.1399 -0.1213 -0.1213 0.1340 0.1340 0.1355 0.1355 0.2994 0.2994 0.3090 0.3090 0.5067 0.5067 0.5138 0.5138 4.9657 4.9657 4.9669 4.9669 k = 0.5000 0.4309 0.5635 ( 10898 PWs) bands (ev): -12.1912 -12.1912 -12.1912 -12.1912 -11.0140 -11.0140 -11.0136 -11.0136 -10.9785 -10.9785 -10.9779 -10.9779 -10.8492 -10.8492 -10.8490 -10.8490 -5.2375 -5.2375 -5.2374 -5.2374 -2.7149 -2.7149 -2.7149 -2.7149 -2.3447 -2.3447 -2.3425 -2.3425 -2.2667 -2.2667 -2.2666 -2.2666 -1.2572 -1.2572 -1.2543 -1.2543 -1.1296 -1.1296 -1.1157 -1.1157 -0.7569 -0.7569 -0.7491 -0.7491 -0.2958 -0.2958 -0.2726 -0.2726 -0.1323 -0.1323 -0.1125 -0.1125 0.1175 0.1175 0.1197 0.1197 0.2945 0.2945 0.3035 0.3035 0.5021 0.5021 0.5090 0.5090 4.9751 4.9751 4.9765 4.9765 k = 0.5000 0.4070 0.5635 ( 10892 PWs) bands (ev): -12.1966 -12.1966 -12.1966 -12.1966 -11.0091 -11.0091 -11.0087 -11.0087 -10.9798 -10.9798 -10.9791 -10.9791 -10.8439 -10.8439 -10.8437 -10.8437 -5.2384 -5.2384 -5.2383 -5.2383 -2.7108 -2.7108 -2.7108 -2.7108 -2.3845 -2.3845 -2.3826 -2.3826 -2.2692 -2.2692 -2.2685 -2.2685 -1.2422 -1.2422 -1.2389 -1.2389 -1.1148 -1.1148 -1.1000 -1.1000 -0.7449 -0.7449 -0.7366 -0.7366 -0.2899 -0.2899 -0.2650 -0.2650 -0.1249 -0.1249 -0.1044 -0.1044 0.0999 0.0999 0.1024 0.1024 0.2911 0.2911 0.2993 0.2993 0.4956 0.4956 0.5022 0.5022 4.9854 4.9854 4.9868 4.9868 k = 0.5000 0.3830 0.5635 ( 10894 PWs) bands (ev): -12.2023 -12.2023 -12.2023 -12.2023 -11.0072 -11.0072 -11.0067 -11.0067 -10.9776 -10.9776 -10.9769 -10.9769 -10.8387 -10.8387 -10.8384 -10.8384 -5.2393 -5.2393 -5.2392 -5.2392 -2.7065 -2.7065 -2.7064 -2.7064 -2.4255 -2.4255 -2.4237 -2.4237 -2.2709 -2.2709 -2.2698 -2.2698 -1.2272 -1.2272 -1.2235 -1.2235 -1.0996 -1.0996 -1.0841 -1.0841 -0.7327 -0.7327 -0.7240 -0.7240 -0.2828 -0.2828 -0.2563 -0.2563 -0.1183 -0.1183 -0.0975 -0.0975 0.0822 0.0822 0.0846 0.0846 0.2885 0.2885 0.2960 0.2960 0.4872 0.4872 0.4935 0.4935 4.9962 4.9962 4.9977 4.9977 k = 0.5000 0.3591 0.5635 ( 10892 PWs) bands (ev): -12.2081 -12.2081 -12.2081 -12.2081 -11.0084 -11.0084 -11.0080 -11.0080 -10.9719 -10.9719 -10.9713 -10.9713 -10.8336 -10.8336 -10.8334 -10.8334 -5.2403 -5.2403 -5.2402 -5.2402 -2.7021 -2.7021 -2.7018 -2.7018 -2.4664 -2.4664 -2.4647 -2.4647 -2.2723 -2.2723 -2.2710 -2.2710 -1.2122 -1.2122 -1.2080 -1.2080 -1.0844 -1.0844 -1.0684 -1.0684 -0.7207 -0.7207 -0.7115 -0.7115 -0.2745 -0.2745 -0.2468 -0.2468 -0.1126 -0.1126 -0.0922 -0.0922 0.0657 0.0657 0.0672 0.0672 0.2863 0.2863 0.2931 0.2931 0.4772 0.4772 0.4831 0.4831 5.0074 5.0074 5.0091 5.0091 k = 0.5000 0.3351 0.5635 ( 10886 PWs) bands (ev): -12.2140 -12.2140 -12.2140 -12.2140 -11.0112 -11.0112 -11.0109 -11.0109 -10.9640 -10.9640 -10.9635 -10.9635 -10.8287 -10.8287 -10.8285 -10.8285 -5.2413 -5.2413 -5.2412 -5.2412 -2.6978 -2.6978 -2.6973 -2.6973 -2.5066 -2.5066 -2.5047 -2.5047 -2.2735 -2.2735 -2.2721 -2.2721 -1.1973 -1.1973 -1.1925 -1.1925 -1.0692 -1.0692 -1.0529 -1.0529 -0.7091 -0.7091 -0.6995 -0.6995 -0.2652 -0.2652 -0.2364 -0.2364 -0.1084 -0.1084 -0.0893 -0.0893 0.0511 0.0511 0.0513 0.0513 0.2839 0.2839 0.2901 0.2901 0.4659 0.4659 0.4715 0.4715 5.0190 5.0190 5.0207 5.0207 k = 0.5000 0.3112 0.5635 ( 10878 PWs) bands (ev): -12.2199 -12.2199 -12.2199 -12.2199 -11.0148 -11.0148 -11.0146 -11.0146 -10.9552 -10.9552 -10.9548 -10.9548 -10.8240 -10.8240 -10.8238 -10.8238 -5.2423 -5.2423 -5.2422 -5.2422 -2.6939 -2.6939 -2.6930 -2.6930 -2.5453 -2.5453 -2.5432 -2.5432 -2.2748 -2.2748 -2.2732 -2.2732 -1.1825 -1.1825 -1.1773 -1.1773 -1.0540 -1.0540 -1.0377 -1.0377 -0.6982 -0.6982 -0.6883 -0.6883 -0.2550 -0.2550 -0.2255 -0.2255 -0.1057 -0.1057 -0.0890 -0.0890 0.0369 0.0369 0.0399 0.0399 0.2808 0.2808 0.2863 0.2863 0.4539 0.4539 0.4590 0.4590 5.0306 5.0306 5.0323 5.0323 k = 0.5000 0.2873 0.5635 ( 10882 PWs) bands (ev): -12.2257 -12.2257 -12.2257 -12.2257 -11.0185 -11.0185 -11.0184 -11.0184 -10.9460 -10.9460 -10.9457 -10.9457 -10.8196 -10.8196 -10.8194 -10.8194 -5.2433 -5.2433 -5.2432 -5.2432 -2.6909 -2.6909 -2.6894 -2.6894 -2.5817 -2.5817 -2.5791 -2.5791 -2.2760 -2.2760 -2.2744 -2.2744 -1.1682 -1.1682 -1.1625 -1.1625 -1.0389 -1.0389 -1.0228 -1.0228 -0.6883 -0.6883 -0.6781 -0.6781 -0.2439 -0.2439 -0.2141 -0.2141 -0.1048 -0.1048 -0.0913 -0.0913 0.0253 0.0253 0.0318 0.0318 0.2763 0.2763 0.2813 0.2813 0.4416 0.4416 0.4462 0.4462 5.0421 5.0421 5.0438 5.0438 k = 0.5000 0.2633 0.5635 ( 10896 PWs) bands (ev): -12.2313 -12.2313 -12.2313 -12.2313 -11.0223 -11.0223 -11.0222 -11.0222 -10.9369 -10.9369 -10.9366 -10.9366 -10.8155 -10.8155 -10.8153 -10.8153 -5.2442 -5.2442 -5.2441 -5.2441 -2.6904 -2.6904 -2.6880 -2.6880 -2.6141 -2.6141 -2.6107 -2.6107 -2.2772 -2.2772 -2.2756 -2.2756 -1.1544 -1.1544 -1.1483 -1.1483 -1.0239 -1.0239 -1.0081 -1.0081 -0.6796 -0.6796 -0.6691 -0.6691 -0.2323 -0.2323 -0.2025 -0.2025 -0.1050 -0.1050 -0.0955 -0.0955 0.0161 0.0161 0.0267 0.0267 0.2700 0.2700 0.2743 0.2743 0.4297 0.4297 0.4337 0.4337 5.0533 5.0533 5.0550 5.0550 k = 0.5000 0.2394 0.5635 ( 10904 PWs) bands (ev): -12.2366 -12.2366 -12.2366 -12.2366 -11.0259 -11.0259 -11.0258 -11.0258 -10.9280 -10.9280 -10.9277 -10.9277 -10.8117 -10.8117 -10.8115 -10.8115 -5.2452 -5.2452 -5.2451 -5.2451 -2.6957 -2.6957 -2.6924 -2.6924 -2.6386 -2.6386 -2.6343 -2.6343 -2.2784 -2.2784 -2.2768 -2.2768 -1.1413 -1.1413 -1.1350 -1.1350 -1.0090 -1.0090 -0.9938 -0.9938 -0.6724 -0.6724 -0.6617 -0.6617 -0.2201 -0.2201 -0.1909 -0.1909 -0.1058 -0.1058 -0.1003 -0.1003 0.0091 0.0091 0.0236 0.0236 0.2614 0.2614 0.2651 0.2651 0.4190 0.4190 0.4223 0.4223 5.0640 5.0640 5.0657 5.0657 k = 0.5000 0.2155 0.5635 ( 10896 PWs) bands (ev): -12.2417 -12.2417 -12.2417 -12.2417 -11.0293 -11.0293 -11.0292 -11.0292 -10.9194 -10.9194 -10.9192 -10.9192 -10.8082 -10.8082 -10.8080 -10.8080 -5.2461 -5.2461 -5.2460 -5.2460 -2.7107 -2.7107 -2.7076 -2.7076 -2.6498 -2.6498 -2.6459 -2.6459 -2.2796 -2.2796 -2.2780 -2.2780 -1.1292 -1.1292 -1.1226 -1.1226 -0.9943 -0.9943 -0.9797 -0.9797 -0.6668 -0.6668 -0.6560 -0.6560 -0.2075 -0.2075 -0.1795 -0.1795 -0.1060 -0.1060 -0.1045 -0.1045 0.0036 0.0036 0.0215 0.0215 0.2502 0.2502 0.2533 0.2533 0.4098 0.4098 0.4124 0.4124 5.0742 5.0742 5.0757 5.0757 k = 0.5000 0.1915 0.5635 ( 10898 PWs) bands (ev): -12.2464 -12.2464 -12.2463 -12.2463 -11.0324 -11.0324 -11.0323 -11.0323 -10.9114 -10.9114 -10.9112 -10.9112 -10.8050 -10.8050 -10.8048 -10.8048 -5.2469 -5.2469 -5.2468 -5.2468 -2.7322 -2.7322 -2.7301 -2.7301 -2.6514 -2.6514 -2.6485 -2.6485 -2.2807 -2.2807 -2.2792 -2.2792 -1.1180 -1.1180 -1.1115 -1.1115 -0.9798 -0.9798 -0.9661 -0.9661 -0.6629 -0.6629 -0.6520 -0.6520 -0.1946 -0.1946 -0.1685 -0.1685 -0.1074 -0.1074 -0.1050 -0.1050 -0.0011 -0.0011 0.0196 0.0196 0.2366 0.2366 0.2390 0.2390 0.4024 0.4024 0.4044 0.4044 5.0835 5.0835 5.0850 5.0850 k = 0.5000 0.1676 0.5635 ( 10894 PWs) bands (ev): -12.2506 -12.2506 -12.2506 -12.2506 -11.0352 -11.0352 -11.0351 -11.0351 -10.9040 -10.9040 -10.9039 -10.9039 -10.8022 -10.8022 -10.8020 -10.8020 -5.2476 -5.2476 -5.2476 -5.2476 -2.7549 -2.7549 -2.7534 -2.7534 -2.6495 -2.6495 -2.6474 -2.6474 -2.2817 -2.2817 -2.2804 -2.2804 -1.1080 -1.1080 -1.1017 -1.1017 -0.9658 -0.9658 -0.9530 -0.9530 -0.6605 -0.6605 -0.6499 -0.6499 -0.1814 -0.1814 -0.1579 -0.1579 -0.1084 -0.1084 -0.1022 -0.1022 -0.0056 -0.0056 0.0172 0.0172 0.2209 0.2209 0.2228 0.2228 0.3968 0.3968 0.3982 0.3982 5.0921 5.0921 5.0934 5.0934 k = 0.5000 0.1436 0.5635 ( 10884 PWs) bands (ev): -12.2544 -12.2544 -12.2544 -12.2544 -11.0376 -11.0376 -11.0376 -11.0376 -10.8974 -10.8974 -10.8973 -10.8973 -10.7997 -10.7997 -10.7996 -10.7996 -5.2483 -5.2483 -5.2483 -5.2483 -2.7760 -2.7760 -2.7750 -2.7750 -2.6467 -2.6467 -2.6451 -2.6451 -2.2827 -2.2827 -2.2814 -2.2814 -1.0992 -1.0992 -1.0933 -1.0933 -0.9523 -0.9523 -0.9407 -0.9407 -0.6596 -0.6596 -0.6494 -0.6494 -0.1679 -0.1679 -0.1474 -0.1474 -0.1075 -0.1075 -0.0978 -0.0978 -0.0104 -0.0104 0.0139 0.0139 0.2039 0.2039 0.2055 0.2055 0.3927 0.3927 0.3937 0.3937 5.0996 5.0996 5.1008 5.1008 k = 0.5000 0.1197 0.5635 ( 10878 PWs) bands (ev): -12.2576 -12.2576 -12.2576 -12.2576 -11.0397 -11.0397 -11.0397 -11.0397 -10.8917 -10.8917 -10.8915 -10.8915 -10.7976 -10.7976 -10.7975 -10.7975 -5.2489 -5.2489 -5.2489 -5.2489 -2.7947 -2.7947 -2.7939 -2.7939 -2.6438 -2.6438 -2.6425 -2.6425 -2.2835 -2.2835 -2.2824 -2.2824 -1.0917 -1.0917 -1.0863 -1.0863 -0.9398 -0.9398 -0.9296 -0.9296 -0.6597 -0.6597 -0.6503 -0.6503 -0.1541 -0.1541 -0.1369 -0.1369 -0.1050 -0.1050 -0.0921 -0.0921 -0.0157 -0.0157 0.0095 0.0095 0.1867 0.1867 0.1878 0.1878 0.3899 0.3899 0.3904 0.3904 5.1061 5.1061 5.1072 5.1072 k = 0.5000 0.0958 0.5635 ( 10868 PWs) bands (ev): -12.2603 -12.2603 -12.2603 -12.2603 -11.0415 -11.0415 -11.0415 -11.0415 -10.8869 -10.8869 -10.8867 -10.8867 -10.7959 -10.7959 -10.7958 -10.7958 -5.2494 -5.2494 -5.2494 -5.2494 -2.8103 -2.8103 -2.8098 -2.8098 -2.6410 -2.6410 -2.6401 -2.6401 -2.2842 -2.2842 -2.2833 -2.2833 -1.0853 -1.0853 -1.0808 -1.0808 -0.9285 -0.9285 -0.9199 -0.9199 -0.6604 -0.6604 -0.6523 -0.6523 -0.1401 -0.1401 -0.1264 -0.1264 -0.1014 -0.1014 -0.0861 -0.0861 -0.0214 -0.0214 0.0037 0.0037 0.1702 0.1702 0.1711 0.1711 0.3879 0.3879 0.3882 0.3882 5.1116 5.1116 5.1124 5.1124 k = 0.5000 0.0718 0.5635 ( 10870 PWs) bands (ev): -12.2625 -12.2625 -12.2625 -12.2625 -11.0429 -11.0429 -11.0428 -11.0428 -10.8830 -10.8830 -10.8829 -10.8829 -10.7946 -10.7946 -10.7945 -10.7945 -5.2498 -5.2498 -5.2497 -5.2497 -2.8227 -2.8227 -2.8223 -2.8223 -2.6388 -2.6388 -2.6381 -2.6381 -2.2847 -2.2847 -2.2840 -2.2840 -1.0803 -1.0803 -1.0767 -1.0767 -0.9189 -0.9189 -0.9121 -0.9121 -0.6614 -0.6614 -0.6548 -0.6548 -0.1262 -0.1262 -0.1163 -0.1163 -0.0973 -0.0973 -0.0808 -0.0808 -0.0271 -0.0271 -0.0034 -0.0034 0.1556 0.1556 0.1563 0.1563 0.3866 0.3866 0.3868 0.3868 5.1159 5.1159 5.1165 5.1165 k = 0.5000 0.0479 0.5635 ( 10880 PWs) bands (ev): -12.2640 -12.2640 -12.2640 -12.2640 -11.0438 -11.0438 -11.0438 -11.0438 -10.8803 -10.8803 -10.8802 -10.8802 -10.7936 -10.7936 -10.7936 -10.7936 -5.2501 -5.2501 -5.2500 -5.2500 -2.8316 -2.8316 -2.8313 -2.8313 -2.6370 -2.6370 -2.6366 -2.6366 -2.2851 -2.2851 -2.2846 -2.2846 -1.0764 -1.0764 -1.0739 -1.0739 -0.9113 -0.9113 -0.9066 -0.9066 -0.6621 -0.6621 -0.6575 -0.6575 -0.1131 -0.1131 -0.1074 -0.1074 -0.0934 -0.0934 -0.0775 -0.0775 -0.0313 -0.0313 -0.0115 -0.0115 0.1441 0.1441 0.1446 0.1446 0.3858 0.3858 0.3859 0.3859 5.1190 5.1190 5.1194 5.1194 k = 0.5000 0.0239 0.5635 ( 10884 PWs) bands (ev): -12.2650 -12.2650 -12.2650 -12.2650 -11.0444 -11.0444 -11.0444 -11.0444 -10.8786 -10.8786 -10.8785 -10.8785 -10.7930 -10.7930 -10.7930 -10.7930 -5.2502 -5.2502 -5.2502 -5.2502 -2.8369 -2.8369 -2.8368 -2.8368 -2.6359 -2.6359 -2.6357 -2.6357 -2.2852 -2.2852 -2.2850 -2.2850 -1.0739 -1.0739 -1.0726 -1.0726 -0.9061 -0.9061 -0.9037 -0.9037 -0.6622 -0.6622 -0.6598 -0.6598 -0.1027 -0.1027 -0.1010 -0.1010 -0.0894 -0.0894 -0.0784 -0.0784 -0.0317 -0.0317 -0.0200 -0.0200 0.1368 0.1368 0.1370 0.1370 0.3854 0.3854 0.3854 0.3854 5.1209 5.1209 5.1211 5.1211 k = 0.5000-0.0000 0.5635 ( 10892 PWs) bands (ev): -12.2653 -12.2653 -12.2653 -12.2653 -11.0446 -11.0446 -11.0446 -11.0446 -10.8780 -10.8780 -10.8780 -10.8780 -10.7928 -10.7928 -10.7928 -10.7928 -5.2503 -5.2503 -5.2503 -5.2503 -2.8387 -2.8387 -2.8387 -2.8387 -2.6355 -2.6355 -2.6355 -2.6355 -2.2852 -2.2852 -2.2852 -2.2852 -1.0726 -1.0726 -1.0726 -1.0726 -0.9035 -0.9035 -0.9035 -0.9035 -0.6614 -0.6614 -0.6614 -0.6614 -0.0986 -0.0986 -0.0986 -0.0986 -0.0836 -0.0836 -0.0836 -0.0836 -0.0274 -0.0274 -0.0274 -0.0274 0.1343 0.1343 0.1343 0.1343 0.3853 0.3853 0.3853 0.3853 5.1216 5.1216 5.1216 5.1216 k = 0.5000-0.0000 0.5635 ( 10892 PWs) bands (ev): -12.2653 -12.2653 -12.2653 -12.2653 -11.0446 -11.0446 -11.0446 -11.0446 -10.8780 -10.8780 -10.8780 -10.8780 -10.7928 -10.7928 -10.7928 -10.7928 -5.2503 -5.2503 -5.2503 -5.2503 -2.8387 -2.8387 -2.8387 -2.8387 -2.6355 -2.6355 -2.6355 -2.6355 -2.2852 -2.2852 -2.2852 -2.2852 -1.0726 -1.0726 -1.0726 -1.0726 -0.9035 -0.9035 -0.9035 -0.9035 -0.6614 -0.6614 -0.6614 -0.6614 -0.0986 -0.0986 -0.0986 -0.0986 -0.0836 -0.0836 -0.0836 -0.0836 -0.0274 -0.0274 -0.0274 -0.0274 0.1343 0.1343 0.1343 0.1343 0.3853 0.3853 0.3853 0.3853 5.1216 5.1216 5.1216 5.1216 k = 0.5000-0.0000 0.5390 ( 10884 PWs) bands (ev): -12.2654 -12.2654 -12.2654 -12.2654 -11.0443 -11.0443 -11.0443 -11.0443 -10.8781 -10.8781 -10.8781 -10.8781 -10.7929 -10.7929 -10.7929 -10.7929 -5.2505 -5.2505 -5.2505 -5.2505 -2.8390 -2.8390 -2.8389 -2.8389 -2.6361 -2.6361 -2.6357 -2.6357 -2.2854 -2.2854 -2.2851 -2.2851 -1.0724 -1.0724 -1.0724 -1.0724 -0.9024 -0.9024 -0.9014 -0.9014 -0.6615 -0.6615 -0.6611 -0.6611 -0.0999 -0.0999 -0.0994 -0.0994 -0.0845 -0.0845 -0.0844 -0.0844 -0.0284 -0.0284 -0.0272 -0.0272 0.1346 0.1346 0.1351 0.1351 0.3852 0.3852 0.3866 0.3866 5.1214 5.1214 5.1215 5.1215 k = 0.5000-0.0000 0.5145 ( 10894 PWs) bands (ev): -12.2658 -12.2658 -12.2658 -12.2658 -11.0433 -11.0433 -11.0433 -11.0433 -10.8784 -10.8784 -10.8783 -10.8783 -10.7930 -10.7930 -10.7929 -10.7929 -5.2510 -5.2510 -5.2510 -5.2510 -2.8397 -2.8397 -2.8395 -2.8395 -2.6374 -2.6374 -2.6367 -2.6367 -2.2856 -2.2856 -2.2850 -2.2850 -1.0719 -1.0719 -1.0719 -1.0719 -0.8980 -0.8980 -0.8960 -0.8960 -0.6612 -0.6612 -0.6606 -0.6606 -0.1041 -0.1041 -0.1019 -0.1019 -0.0875 -0.0875 -0.0860 -0.0860 -0.0301 -0.0301 -0.0276 -0.0276 0.1360 0.1360 0.1369 0.1369 0.3863 0.3863 0.3892 0.3892 5.1210 5.1210 5.1211 5.1211 k = 0.5000-0.0000 0.4900 ( 10896 PWs) bands (ev): -12.2664 -12.2664 -12.2664 -12.2664 -11.0417 -11.0417 -11.0417 -11.0417 -10.8788 -10.8788 -10.8787 -10.8787 -10.7932 -10.7932 -10.7931 -10.7931 -5.2519 -5.2519 -5.2519 -5.2519 -2.8409 -2.8409 -2.8406 -2.8406 -2.6395 -2.6395 -2.6384 -2.6384 -2.2858 -2.2858 -2.2849 -2.2849 -1.0709 -1.0709 -1.0707 -1.0707 -0.8907 -0.8907 -0.8878 -0.8878 -0.6607 -0.6607 -0.6597 -0.6597 -0.1116 -0.1116 -0.1064 -0.1064 -0.0927 -0.0927 -0.0882 -0.0882 -0.0317 -0.0317 -0.0280 -0.0280 0.1383 0.1383 0.1398 0.1398 0.3886 0.3886 0.3927 0.3927 5.1202 5.1202 5.1204 5.1204 k = 0.5000-0.0000 0.4655 ( 10902 PWs) bands (ev): -12.2672 -12.2672 -12.2672 -12.2672 -11.0395 -11.0395 -11.0394 -11.0394 -10.8794 -10.8794 -10.8793 -10.8793 -10.7935 -10.7935 -10.7934 -10.7934 -5.2531 -5.2531 -5.2531 -5.2531 -2.8425 -2.8425 -2.8420 -2.8420 -2.6423 -2.6423 -2.6409 -2.6409 -2.2860 -2.2860 -2.2848 -2.2848 -1.0693 -1.0693 -1.0689 -1.0689 -0.8807 -0.8807 -0.8770 -0.8770 -0.6599 -0.6599 -0.6585 -0.6585 -0.1224 -0.1224 -0.1133 -0.1133 -0.1000 -0.1000 -0.0916 -0.0916 -0.0325 -0.0325 -0.0277 -0.0277 0.1414 0.1414 0.1435 0.1435 0.3915 0.3915 0.3969 0.3969 5.1193 5.1193 5.1195 5.1195 k = 0.5000-0.0000 0.4410 ( 10910 PWs) bands (ev): -12.2682 -12.2682 -12.2682 -12.2682 -11.0367 -11.0367 -11.0366 -11.0366 -10.8801 -10.8801 -10.8800 -10.8800 -10.7939 -10.7939 -10.7937 -10.7937 -5.2547 -5.2547 -5.2546 -5.2546 -2.8444 -2.8444 -2.8438 -2.8438 -2.6459 -2.6459 -2.6442 -2.6442 -2.2861 -2.2861 -2.2846 -2.2846 -1.0670 -1.0670 -1.0663 -1.0663 -0.8684 -0.8684 -0.8641 -0.8641 -0.6587 -0.6587 -0.6570 -0.6570 -0.1357 -0.1357 -0.1232 -0.1232 -0.1087 -0.1087 -0.0969 -0.0969 -0.0317 -0.0317 -0.0260 -0.0260 0.1451 0.1451 0.1480 0.1480 0.3949 0.3949 0.4013 0.4013 5.1182 5.1182 5.1185 5.1185 k = 0.5000-0.0000 0.4165 ( 10904 PWs) bands (ev): -12.2695 -12.2695 -12.2695 -12.2695 -11.0333 -11.0333 -11.0333 -11.0333 -10.8809 -10.8809 -10.8808 -10.8808 -10.7944 -10.7944 -10.7942 -10.7942 -5.2565 -5.2565 -5.2564 -5.2564 -2.8466 -2.8466 -2.8460 -2.8460 -2.6501 -2.6501 -2.6482 -2.6482 -2.2861 -2.2861 -2.2844 -2.2844 -1.0637 -1.0637 -1.0626 -1.0626 -0.8542 -0.8542 -0.8495 -0.8495 -0.6572 -0.6572 -0.6551 -0.6551 -0.1512 -0.1512 -0.1361 -0.1361 -0.1184 -0.1184 -0.1043 -0.1043 -0.0289 -0.0289 -0.0229 -0.0229 0.1493 0.1493 0.1529 0.1529 0.3983 0.3983 0.4057 0.4057 5.1170 5.1170 5.1173 5.1173 k = 0.5000-0.0000 0.3920 ( 10902 PWs) bands (ev): -12.2709 -12.2709 -12.2709 -12.2709 -11.0295 -11.0295 -11.0295 -11.0295 -10.8818 -10.8818 -10.8817 -10.8817 -10.7950 -10.7950 -10.7948 -10.7948 -5.2586 -5.2586 -5.2585 -5.2585 -2.8491 -2.8491 -2.8484 -2.8484 -2.6549 -2.6549 -2.6528 -2.6528 -2.2859 -2.2859 -2.2840 -2.2840 -1.0595 -1.0595 -1.0579 -1.0579 -0.8387 -0.8387 -0.8337 -0.8337 -0.6552 -0.6552 -0.6528 -0.6528 -0.1682 -0.1682 -0.1515 -0.1515 -0.1289 -0.1289 -0.1137 -0.1137 -0.0243 -0.0243 -0.0182 -0.0182 0.1539 0.1539 0.1582 0.1582 0.4015 0.4015 0.4097 0.4097 5.1158 5.1158 5.1162 5.1162 k = 0.5000-0.0000 0.3675 ( 10900 PWs) bands (ev): -12.2724 -12.2724 -12.2724 -12.2724 -11.0252 -11.0252 -11.0252 -11.0252 -10.8828 -10.8828 -10.8826 -10.8826 -10.7957 -10.7957 -10.7955 -10.7955 -5.2609 -5.2609 -5.2608 -5.2608 -2.8518 -2.8518 -2.8510 -2.8510 -2.6603 -2.6603 -2.6580 -2.6580 -2.2855 -2.2855 -2.2834 -2.2834 -1.0543 -1.0543 -1.0520 -1.0520 -0.8223 -0.8223 -0.8171 -0.8171 -0.6528 -0.6528 -0.6501 -0.6501 -0.1863 -0.1863 -0.1687 -0.1687 -0.1401 -0.1401 -0.1245 -0.1245 -0.0182 -0.0182 -0.0124 -0.0124 0.1586 0.1586 0.1638 0.1638 0.4041 0.4041 0.4130 0.4130 5.1147 5.1147 5.1151 5.1151 k = 0.5000-0.0000 0.3430 ( 10902 PWs) bands (ev): -12.2740 -12.2740 -12.2740 -12.2740 -11.0206 -11.0206 -11.0206 -11.0206 -10.8839 -10.8839 -10.8836 -10.8836 -10.7966 -10.7966 -10.7963 -10.7963 -5.2634 -5.2634 -5.2633 -5.2633 -2.8546 -2.8546 -2.8537 -2.8537 -2.6661 -2.6661 -2.6637 -2.6637 -2.2848 -2.2848 -2.2826 -2.2826 -1.0481 -1.0481 -1.0452 -1.0452 -0.8055 -0.8055 -0.8003 -0.8003 -0.6499 -0.6499 -0.6469 -0.6469 -0.2050 -0.2050 -0.1869 -0.1869 -0.1519 -0.1519 -0.1363 -0.1363 -0.0110 -0.0110 -0.0054 -0.0054 0.1634 0.1634 0.1693 0.1693 0.4058 0.4058 0.4154 0.4154 5.1136 5.1136 5.1141 5.1141 k = 0.5000-0.0000 0.3185 ( 10884 PWs) bands (ev): -12.2757 -12.2757 -12.2757 -12.2757 -11.0157 -11.0157 -11.0157 -11.0157 -10.8849 -10.8849 -10.8847 -10.8847 -10.7976 -10.7976 -10.7973 -10.7973 -5.2659 -5.2659 -5.2658 -5.2658 -2.8574 -2.8574 -2.8565 -2.8565 -2.6723 -2.6723 -2.6698 -2.6698 -2.2840 -2.2840 -2.2816 -2.2816 -1.0409 -1.0409 -1.0373 -1.0373 -0.7886 -0.7886 -0.7836 -0.7836 -0.6466 -0.6466 -0.6434 -0.6434 -0.2237 -0.2237 -0.2055 -0.2055 -0.1642 -0.1642 -0.1488 -0.1488 -0.0029 -0.0029 0.0023 0.0023 0.1681 0.1681 0.1749 0.1749 0.4066 0.4066 0.4166 0.4166 5.1128 5.1128 5.1133 5.1133 k = 0.5000-0.0000 0.2940 ( 10888 PWs) bands (ev): -12.2775 -12.2775 -12.2774 -12.2774 -11.0107 -11.0107 -11.0106 -11.0106 -10.8859 -10.8859 -10.8857 -10.8857 -10.7987 -10.7987 -10.7984 -10.7984 -5.2686 -5.2686 -5.2685 -5.2685 -2.8603 -2.8603 -2.8593 -2.8593 -2.6788 -2.6788 -2.6762 -2.6762 -2.2828 -2.2828 -2.2805 -2.2805 -1.0327 -1.0327 -1.0285 -1.0285 -0.7722 -0.7722 -0.7676 -0.7676 -0.6428 -0.6428 -0.6395 -0.6395 -0.2420 -0.2420 -0.2239 -0.2239 -0.1768 -0.1768 -0.1618 -0.1618 0.0059 0.0059 0.0107 0.0107 0.1728 0.1728 0.1803 0.1803 0.4062 0.4062 0.4167 0.4167 5.1122 5.1122 5.1127 5.1127 k = 0.5000-0.0000 0.2695 ( 10888 PWs) bands (ev): -12.2792 -12.2792 -12.2792 -12.2792 -11.0054 -11.0054 -11.0054 -11.0054 -10.8869 -10.8869 -10.8866 -10.8866 -10.8000 -10.8000 -10.7997 -10.7997 -5.2713 -5.2713 -5.2712 -5.2712 -2.8631 -2.8631 -2.8621 -2.8621 -2.6853 -2.6853 -2.6827 -2.6827 -2.2815 -2.2815 -2.2792 -2.2792 -1.0238 -1.0238 -1.0189 -1.0189 -0.7566 -0.7566 -0.7526 -0.7526 -0.6387 -0.6387 -0.6353 -0.6353 -0.2594 -0.2594 -0.2418 -0.2418 -0.1895 -0.1895 -0.1749 -0.1749 0.0152 0.0152 0.0196 0.0196 0.1773 0.1773 0.1855 0.1855 0.4047 0.4047 0.4155 0.4155 5.1118 5.1118 5.1123 5.1123 k = 0.5000-0.0000 0.2450 ( 10886 PWs) bands (ev): -12.2809 -12.2809 -12.2809 -12.2809 -11.0002 -11.0002 -11.0002 -11.0002 -10.8878 -10.8878 -10.8875 -10.8875 -10.8013 -10.8013 -10.8010 -10.8010 -5.2740 -5.2740 -5.2739 -5.2739 -2.8658 -2.8658 -2.8648 -2.8648 -2.6918 -2.6918 -2.6893 -2.6893 -2.2801 -2.2801 -2.2777 -2.2777 -1.0143 -1.0143 -1.0088 -1.0088 -0.7423 -0.7423 -0.7392 -0.7392 -0.6342 -0.6342 -0.6310 -0.6310 -0.2756 -0.2756 -0.2585 -0.2585 -0.2020 -0.2020 -0.1880 -0.1880 0.0249 0.0249 0.0288 0.0288 0.1816 0.1816 0.1904 0.1904 0.4021 0.4021 0.4131 0.4131 5.1117 5.1117 5.1122 5.1122 k = 0.5000-0.0000 0.2205 ( 10884 PWs) bands (ev): -12.2826 -12.2826 -12.2826 -12.2826 -10.9951 -10.9951 -10.9950 -10.9950 -10.8886 -10.8886 -10.8884 -10.8884 -10.8028 -10.8028 -10.8025 -10.8025 -5.2766 -5.2766 -5.2765 -5.2765 -2.8683 -2.8683 -2.8674 -2.8674 -2.6982 -2.6982 -2.6957 -2.6957 -2.2785 -2.2785 -2.2762 -2.2762 -1.0042 -1.0042 -0.9983 -0.9983 -0.7297 -0.7297 -0.7277 -0.7277 -0.6294 -0.6294 -0.6266 -0.6266 -0.2901 -0.2901 -0.2739 -0.2739 -0.2142 -0.2142 -0.2008 -0.2008 0.0348 0.0348 0.0382 0.0382 0.1856 0.1856 0.1950 0.1950 0.3983 0.3983 0.4095 0.4095 5.1118 5.1118 5.1123 5.1123 k = 0.5000-0.0000 0.1960 ( 10884 PWs) bands (ev): -12.2842 -12.2842 -12.2842 -12.2842 -10.9901 -10.9901 -10.9900 -10.9900 -10.8893 -10.8893 -10.8891 -10.8891 -10.8044 -10.8044 -10.8041 -10.8041 -5.2791 -5.2791 -5.2790 -5.2790 -2.8707 -2.8707 -2.8698 -2.8698 -2.7043 -2.7043 -2.7019 -2.7019 -2.2768 -2.2768 -2.2747 -2.2747 -0.9938 -0.9938 -0.9875 -0.9875 -0.7191 -0.7191 -0.7185 -0.7185 -0.6243 -0.6243 -0.6220 -0.6220 -0.3027 -0.3027 -0.2876 -0.2876 -0.2259 -0.2259 -0.2133 -0.2133 0.0449 0.0449 0.0478 0.0478 0.1894 0.1894 0.1992 0.1992 0.3937 0.3937 0.4049 0.4049 5.1121 5.1121 5.1126 5.1126 k = 0.5000-0.0000 0.1715 ( 10890 PWs) bands (ev): -12.2857 -12.2857 -12.2856 -12.2856 -10.9854 -10.9854 -10.9853 -10.9853 -10.8899 -10.8899 -10.8897 -10.8897 -10.8059 -10.8059 -10.8056 -10.8056 -5.2814 -5.2814 -5.2813 -5.2813 -2.8728 -2.8728 -2.8719 -2.8719 -2.7099 -2.7099 -2.7078 -2.7078 -2.2752 -2.2752 -2.2732 -2.2732 -0.9833 -0.9833 -0.9769 -0.9769 -0.7116 -0.7116 -0.7109 -0.7109 -0.6189 -0.6189 -0.6173 -0.6173 -0.3133 -0.3133 -0.2995 -0.2995 -0.2369 -0.2369 -0.2251 -0.2251 0.0548 0.0548 0.0572 0.0572 0.1929 0.1929 0.2029 0.2029 0.3884 0.3884 0.3993 0.3993 5.1126 5.1126 5.1131 5.1131 k = 0.5000-0.0000 0.1470 ( 10886 PWs) bands (ev): -12.2870 -12.2870 -12.2870 -12.2870 -10.9811 -10.9811 -10.9810 -10.9810 -10.8904 -10.8904 -10.8902 -10.8902 -10.8075 -10.8075 -10.8072 -10.8072 -5.2835 -5.2835 -5.2834 -5.2834 -2.8746 -2.8746 -2.8739 -2.8739 -2.7151 -2.7151 -2.7132 -2.7132 -2.2736 -2.2736 -2.2718 -2.2718 -0.9730 -0.9730 -0.9666 -0.9666 -0.7071 -0.7071 -0.7052 -0.7052 -0.6135 -0.6135 -0.6125 -0.6125 -0.3218 -0.3218 -0.3095 -0.3095 -0.2469 -0.2469 -0.2361 -0.2361 0.0646 0.0646 0.0664 0.0664 0.1961 0.1961 0.2061 0.2061 0.3827 0.3827 0.3932 0.3932 5.1133 5.1133 5.1137 5.1137 k = 0.5000-0.0000 0.1225 ( 10896 PWs) bands (ev): -12.2882 -12.2882 -12.2881 -12.2881 -10.9772 -10.9772 -10.9772 -10.9772 -10.8908 -10.8908 -10.8906 -10.8906 -10.8089 -10.8089 -10.8087 -10.8087 -5.2854 -5.2854 -5.2853 -5.2853 -2.8762 -2.8762 -2.8756 -2.8756 -2.7196 -2.7196 -2.7179 -2.7179 -2.2721 -2.2721 -2.2706 -2.2706 -0.9632 -0.9632 -0.9571 -0.9571 -0.7047 -0.7047 -0.7019 -0.7019 -0.6081 -0.6081 -0.6076 -0.6076 -0.3285 -0.3285 -0.3178 -0.3178 -0.2556 -0.2556 -0.2461 -0.2461 0.0738 0.0738 0.0751 0.0751 0.1991 0.1991 0.2087 0.2087 0.3770 0.3770 0.3867 0.3867 5.1140 5.1140 5.1143 5.1143 k = 0.5000-0.0000 0.0980 ( 10896 PWs) bands (ev): -12.2891 -12.2891 -12.2891 -12.2891 -10.9739 -10.9739 -10.9739 -10.9739 -10.8910 -10.8910 -10.8908 -10.8908 -10.8103 -10.8103 -10.8101 -10.8101 -5.2869 -5.2869 -5.2869 -5.2869 -2.8775 -2.8775 -2.8770 -2.8770 -2.7234 -2.7234 -2.7220 -2.7220 -2.2707 -2.2707 -2.2695 -2.2695 -0.9541 -0.9541 -0.9487 -0.9487 -0.7038 -0.7038 -0.7006 -0.7006 -0.6031 -0.6031 -0.6029 -0.6029 -0.3333 -0.3333 -0.3245 -0.3245 -0.2628 -0.2628 -0.2548 -0.2548 0.0821 0.0821 0.0829 0.0829 0.2018 0.2018 0.2105 0.2105 0.3716 0.3716 0.3802 0.3802 5.1146 5.1146 5.1150 5.1150 k = 0.5000-0.0000 0.0735 ( 10898 PWs) bands (ev): -12.2899 -12.2899 -12.2899 -12.2899 -10.9713 -10.9713 -10.9713 -10.9713 -10.8911 -10.8911 -10.8910 -10.8910 -10.8114 -10.8114 -10.8112 -10.8112 -5.2882 -5.2882 -5.2881 -5.2881 -2.8785 -2.8785 -2.8781 -2.8781 -2.7263 -2.7263 -2.7253 -2.7253 -2.2696 -2.2696 -2.2687 -2.2687 -0.9463 -0.9463 -0.9417 -0.9417 -0.7039 -0.7039 -0.7009 -0.7009 -0.5988 -0.5988 -0.5987 -0.5987 -0.3366 -0.3366 -0.3298 -0.3298 -0.2683 -0.2683 -0.2620 -0.2620 0.0892 0.0892 0.0897 0.0897 0.2042 0.2042 0.2116 0.2116 0.3672 0.3672 0.3742 0.3742 5.1153 5.1153 5.1155 5.1155 k = 0.5000-0.0000 0.0490 ( 10896 PWs) bands (ev): -12.2905 -12.2905 -12.2905 -12.2905 -10.9694 -10.9694 -10.9693 -10.9693 -10.8912 -10.8912 -10.8911 -10.8911 -10.8122 -10.8122 -10.8121 -10.8121 -5.2891 -5.2891 -5.2891 -5.2891 -2.8792 -2.8792 -2.8789 -2.8789 -2.7285 -2.7285 -2.7278 -2.7278 -2.2687 -2.2687 -2.2681 -2.2681 -0.9400 -0.9400 -0.9367 -0.9367 -0.7043 -0.7043 -0.7020 -0.7020 -0.5954 -0.5954 -0.5953 -0.5953 -0.3385 -0.3385 -0.3339 -0.3339 -0.2720 -0.2720 -0.2676 -0.2676 0.0947 0.0947 0.0948 0.0948 0.2065 0.2065 0.2119 0.2119 0.3641 0.3641 0.3691 0.3691 5.1158 5.1158 5.1159 5.1159 k = 0.5000-0.0000 0.0245 ( 10904 PWs) bands (ev): -12.2908 -12.2908 -12.2908 -12.2908 -10.9682 -10.9682 -10.9682 -10.9682 -10.8912 -10.8912 -10.8912 -10.8912 -10.8127 -10.8127 -10.8127 -10.8127 -5.2896 -5.2896 -5.2896 -5.2896 -2.8796 -2.8796 -2.8795 -2.8795 -2.7297 -2.7297 -2.7293 -2.7293 -2.2681 -2.2681 -2.2678 -2.2678 -0.9357 -0.9357 -0.9340 -0.9340 -0.7045 -0.7045 -0.7032 -0.7032 -0.5933 -0.5933 -0.5932 -0.5932 -0.3391 -0.3391 -0.3368 -0.3368 -0.2737 -0.2737 -0.2715 -0.2715 0.0981 0.0981 0.0981 0.0981 0.2085 0.2085 0.2113 0.2113 0.3626 0.3626 0.3652 0.3652 5.1161 5.1161 5.1162 5.1162 k = 0.5000-0.0000-0.0000 ( 10906 PWs) bands (ev): -12.2909 -12.2909 -12.2909 -12.2909 -10.9678 -10.9678 -10.9678 -10.9678 -10.8912 -10.8912 -10.8912 -10.8912 -10.8129 -10.8129 -10.8129 -10.8129 -5.2898 -5.2898 -5.2898 -5.2898 -2.8797 -2.8797 -2.8797 -2.8797 -2.7300 -2.7300 -2.7300 -2.7300 -2.2678 -2.2678 -2.2678 -2.2678 -0.9336 -0.9336 -0.9336 -0.9336 -0.7042 -0.7042 -0.7042 -0.7042 -0.5925 -0.5925 -0.5925 -0.5925 -0.3385 -0.3385 -0.3385 -0.3385 -0.2736 -0.2736 -0.2736 -0.2736 0.0993 0.0993 0.0993 0.0993 0.2102 0.2102 0.2102 0.2102 0.3630 0.3630 0.3630 0.3630 5.1163 5.1163 5.1163 5.1163 k = 0.0000 0.0000 0.5635 ( 10928 PWs) bands (ev): -12.3407 -12.3407 -12.2114 -12.2114 -10.9948 -10.9948 -10.9592 -10.9592 -10.9141 -10.9141 -10.8746 -10.8746 -10.8642 -10.8642 -10.7830 -10.7830 -5.3867 -5.3867 -5.2192 -5.2192 -2.9853 -2.9853 -2.8273 -2.8273 -2.5779 -2.5779 -2.4741 -2.4741 -2.4151 -2.4151 -2.3722 -2.3722 -1.1006 -1.1006 -1.0823 -1.0823 -0.9532 -0.9532 -0.6894 -0.6894 -0.6291 -0.6291 -0.4001 -0.4001 -0.3011 -0.3011 -0.2764 -0.2764 -0.2083 -0.2083 -0.0711 -0.0711 0.0964 0.0964 0.1709 0.1709 0.2576 0.2576 0.2772 0.2772 0.3096 0.3096 0.6541 0.6541 4.5293 4.5293 5.0706 5.0706 k = 0.0238-0.0000 0.5635 ( 10920 PWs) bands (ev): -12.3405 -12.3405 -12.2115 -12.2115 -10.9954 -10.9954 -10.9596 -10.9596 -10.9140 -10.9140 -10.8740 -10.8740 -10.8642 -10.8642 -10.7830 -10.7830 -5.3862 -5.3862 -5.2192 -5.2192 -2.9848 -2.9848 -2.8272 -2.8272 -2.5801 -2.5801 -2.4712 -2.4712 -2.4161 -2.4161 -2.3717 -2.3717 -1.0999 -1.0999 -1.0840 -1.0840 -0.9522 -0.9522 -0.6893 -0.6893 -0.6306 -0.6306 -0.4005 -0.4005 -0.3004 -0.3004 -0.2761 -0.2761 -0.2070 -0.2070 -0.0727 -0.0727 0.0971 0.0971 0.1705 0.1705 0.2564 0.2564 0.2772 0.2772 0.3089 0.3089 0.6529 0.6529 4.5316 4.5316 5.0718 5.0718 k = 0.0476-0.0000 0.5635 ( 10924 PWs) bands (ev): -12.3398 -12.3398 -12.2119 -12.2119 -10.9972 -10.9972 -10.9609 -10.9609 -10.9137 -10.9137 -10.8721 -10.8721 -10.8642 -10.8642 -10.7828 -10.7828 -5.3847 -5.3847 -5.2190 -5.2190 -2.9832 -2.9832 -2.8269 -2.8269 -2.5860 -2.5860 -2.4632 -2.4632 -2.4190 -2.4190 -2.3705 -2.3705 -1.0979 -1.0979 -1.0891 -1.0891 -0.9496 -0.9496 -0.6891 -0.6891 -0.6351 -0.6351 -0.4017 -0.4017 -0.2987 -0.2987 -0.2750 -0.2750 -0.2033 -0.2033 -0.0774 -0.0774 0.0989 0.0989 0.1691 0.1691 0.2530 0.2530 0.2773 0.2773 0.3069 0.3069 0.6494 0.6494 4.5387 4.5387 5.0755 5.0755 k = 0.0714-0.0000 0.5635 ( 10928 PWs) bands (ev): -12.3386 -12.3386 -12.2124 -12.2124 -11.0001 -11.0001 -10.9629 -10.9629 -10.9131 -10.9131 -10.8693 -10.8693 -10.8641 -10.8641 -10.7826 -10.7826 -5.3821 -5.3821 -5.2187 -5.2187 -2.9805 -2.9805 -2.8265 -2.8265 -2.5942 -2.5942 -2.4519 -2.4519 -2.4234 -2.4234 -2.3686 -2.3686 -1.0970 -1.0970 -1.0943 -1.0943 -0.9458 -0.9458 -0.6888 -0.6888 -0.6425 -0.6425 -0.4036 -0.4036 -0.2961 -0.2961 -0.2724 -0.2724 -0.1976 -0.1976 -0.0848 -0.0848 0.1017 0.1017 0.1668 0.1668 0.2475 0.2475 0.2770 0.2770 0.3040 0.3040 0.6436 0.6436 4.5505 4.5505 5.0814 5.0814 k = 0.0952-0.0000 0.5635 ( 10926 PWs) bands (ev): -12.3371 -12.3371 -12.2132 -12.2132 -11.0037 -11.0037 -10.9656 -10.9656 -10.9123 -10.9123 -10.8657 -10.8657 -10.8638 -10.8638 -10.7823 -10.7823 -5.3786 -5.3786 -5.2184 -5.2184 -2.9768 -2.9768 -2.8258 -2.8258 -2.6035 -2.6035 -2.4403 -2.4403 -2.4272 -2.4272 -2.3662 -2.3662 -1.1066 -1.1066 -1.0896 -1.0896 -0.9414 -0.9414 -0.6884 -0.6884 -0.6526 -0.6526 -0.4063 -0.4063 -0.2932 -0.2932 -0.2678 -0.2678 -0.1902 -0.1902 -0.0945 -0.0945 0.1051 0.1051 0.1635 0.1635 0.2402 0.2402 0.2758 0.2758 0.3005 0.3005 0.6356 0.6356 4.5666 4.5666 5.0894 5.0894 k = 0.1190-0.0000 0.5635 ( 10918 PWs) bands (ev): -12.3350 -12.3350 -12.2142 -12.2142 -11.0079 -11.0079 -10.9691 -10.9691 -10.9113 -10.9113 -10.8643 -10.8643 -10.8609 -10.8609 -10.7820 -10.7820 -5.3741 -5.3741 -5.2180 -5.2180 -2.9721 -2.9721 -2.8250 -2.8250 -2.6131 -2.6131 -2.4407 -2.4407 -2.4189 -2.4189 -2.3635 -2.3635 -1.1174 -1.1174 -1.0836 -1.0836 -0.9369 -0.9369 -0.6883 -0.6883 -0.6651 -0.6651 -0.4099 -0.4099 -0.2899 -0.2899 -0.2610 -0.2610 -0.1815 -0.1815 -0.1057 -0.1057 0.1089 0.1089 0.1592 0.1592 0.2313 0.2313 0.2729 0.2729 0.2973 0.2973 0.6257 0.6257 4.5869 4.5869 5.0992 5.0992 k = 0.1429-0.0000 0.5635 ( 10916 PWs) bands (ev): -12.3326 -12.3326 -12.2155 -12.2155 -11.0126 -11.0126 -10.9731 -10.9731 -10.9101 -10.9101 -10.8642 -10.8642 -10.8561 -10.8561 -10.7817 -10.7817 -5.3688 -5.3688 -5.2176 -5.2176 -2.9665 -2.9665 -2.8240 -2.8240 -2.6224 -2.6224 -2.4487 -2.4487 -2.4034 -2.4034 -2.3605 -2.3605 -1.1286 -1.1286 -1.0762 -1.0762 -0.9326 -0.9326 -0.6901 -0.6901 -0.6783 -0.6783 -0.4146 -0.4146 -0.2859 -0.2859 -0.2523 -0.2523 -0.1719 -0.1719 -0.1178 -0.1178 0.1127 0.1127 0.1539 0.1539 0.2210 0.2210 0.2676 0.2676 0.2955 0.2955 0.6140 0.6140 4.6111 4.6111 5.1102 5.1102 k = 0.1667-0.0000 0.5635 ( 10902 PWs) bands (ev): -12.3298 -12.3298 -12.2170 -12.2170 -11.0174 -11.0174 -10.9776 -10.9776 -10.9086 -10.9086 -10.8642 -10.8642 -10.8510 -10.8510 -10.7814 -10.7814 -5.3627 -5.3627 -5.2173 -5.2173 -2.9600 -2.9600 -2.8230 -2.8230 -2.6312 -2.6312 -2.4585 -2.4585 -2.3870 -2.3870 -2.3573 -2.3573 -1.1398 -1.1398 -1.0676 -1.0676 -0.9286 -0.9286 -0.7019 -0.7019 -0.6841 -0.6841 -0.4207 -0.4207 -0.2809 -0.2809 -0.2420 -0.2420 -0.1618 -0.1618 -0.1299 -0.1299 0.1162 0.1162 0.1474 0.1474 0.2093 0.2093 0.2598 0.2598 0.2951 0.2951 0.6007 0.6007 4.6388 4.6388 5.1222 5.1222 k = 0.1905-0.0000 0.5635 ( 10888 PWs) bands (ev): -12.3265 -12.3265 -12.2187 -12.2187 -11.0223 -11.0223 -10.9825 -10.9825 -10.9070 -10.9070 -10.8643 -10.8643 -10.8457 -10.8457 -10.7811 -10.7811 -5.3559 -5.3559 -5.2170 -5.2170 -2.9528 -2.9528 -2.8218 -2.8218 -2.6393 -2.6393 -2.4695 -2.4695 -2.3706 -2.3706 -2.3537 -2.3537 -1.1504 -1.1504 -1.0579 -1.0579 -0.9249 -0.9249 -0.7210 -0.7210 -0.6850 -0.6850 -0.4286 -0.4286 -0.2744 -0.2744 -0.2305 -0.2305 -0.1521 -0.1521 -0.1407 -0.1407 0.1191 0.1191 0.1400 0.1400 0.1966 0.1966 0.2501 0.2501 0.2960 0.2960 0.5862 0.5862 4.6696 4.6696 5.1346 5.1346 k = 0.2143-0.0000 0.5635 ( 10888 PWs) bands (ev): -12.3230 -12.3230 -12.2208 -12.2208 -11.0270 -11.0270 -10.9878 -10.9878 -10.9052 -10.9052 -10.8645 -10.8645 -10.8404 -10.8404 -10.7810 -10.7810 -5.3485 -5.3485 -5.2169 -5.2169 -2.9448 -2.9448 -2.8207 -2.8207 -2.6465 -2.6465 -2.4814 -2.4814 -2.3547 -2.3547 -2.3496 -2.3496 -1.1599 -1.1599 -1.0472 -1.0472 -0.9215 -0.9215 -0.7428 -0.7428 -0.6857 -0.6857 -0.4385 -0.4385 -0.2665 -0.2665 -0.2182 -0.2182 -0.1532 -0.1532 -0.1389 -0.1389 0.1203 0.1203 0.1323 0.1323 0.1828 0.1828 0.2392 0.2392 0.2979 0.2979 0.5707 0.5707 4.7029 4.7029 5.1470 5.1470 k = 0.2381-0.0000 0.5635 ( 10898 PWs) bands (ev): -12.3191 -12.3191 -12.2230 -12.2230 -11.0314 -11.0314 -10.9933 -10.9933 -10.9032 -10.9032 -10.8648 -10.8648 -10.8352 -10.8352 -10.7810 -10.7810 -5.3406 -5.3406 -5.2171 -5.2171 -2.9362 -2.9362 -2.8195 -2.8195 -2.6528 -2.6528 -2.4940 -2.4940 -2.3458 -2.3458 -2.3391 -2.3391 -1.1678 -1.1678 -1.0355 -1.0355 -0.9181 -0.9181 -0.7666 -0.7666 -0.6866 -0.6866 -0.4507 -0.4507 -0.2569 -0.2569 -0.2058 -0.2058 -0.1601 -0.1601 -0.1288 -0.1288 0.1157 0.1157 0.1282 0.1282 0.1683 0.1683 0.2275 0.2275 0.3006 0.3006 0.5544 0.5544 4.7385 4.7385 5.1588 5.1588 k = 0.2619-0.0000 0.5635 ( 10900 PWs) bands (ev): -12.3149 -12.3149 -12.2256 -12.2256 -11.0355 -11.0355 -10.9989 -10.9989 -10.9011 -10.9011 -10.8653 -10.8653 -10.8301 -10.8301 -10.7811 -10.7811 -5.3323 -5.3323 -5.2176 -5.2176 -2.9272 -2.9272 -2.8185 -2.8185 -2.6579 -2.6579 -2.5072 -2.5072 -2.3412 -2.3412 -2.3252 -2.3252 -1.1738 -1.1738 -1.0230 -1.0230 -0.9147 -0.9147 -0.7920 -0.7920 -0.6879 -0.6879 -0.4654 -0.4654 -0.2457 -0.2457 -0.1943 -0.1943 -0.1634 -0.1634 -0.1185 -0.1185 0.1049 0.1049 0.1274 0.1274 0.1535 0.1535 0.2155 0.2155 0.3042 0.3042 0.5377 0.5377 4.7756 4.7756 5.1694 5.1694 k = 0.2857-0.0000 0.5635 ( 10898 PWs) bands (ev): -12.3105 -12.3105 -12.2284 -12.2284 -11.0392 -11.0392 -11.0046 -11.0046 -10.8989 -10.8989 -10.8658 -10.8658 -10.8252 -10.8252 -10.7814 -10.7814 -5.3236 -5.3236 -5.2184 -5.2184 -2.9177 -2.9177 -2.8177 -2.8177 -2.6620 -2.6620 -2.5209 -2.5209 -2.3362 -2.3362 -2.3126 -2.3126 -1.1774 -1.1774 -1.0099 -1.0099 -0.9111 -0.9111 -0.8187 -0.8187 -0.6895 -0.6895 -0.4825 -0.4825 -0.2330 -0.2330 -0.1858 -0.1858 -0.1606 -0.1606 -0.1085 -0.1085 0.0915 0.0915 0.1237 0.1237 0.1410 0.1410 0.2035 0.2035 0.3085 0.3085 0.5208 0.5208 4.8139 4.8139 5.1785 5.1785 k = 0.3095-0.0000 0.5635 ( 10894 PWs) bands (ev): -12.3058 -12.3058 -12.2315 -12.2315 -11.0423 -11.0423 -11.0102 -11.0102 -10.8966 -10.8966 -10.8665 -10.8665 -10.8205 -10.8205 -10.7818 -10.7818 -5.3148 -5.3148 -5.2196 -5.2196 -2.9081 -2.9081 -2.8172 -2.8172 -2.6648 -2.6648 -2.5349 -2.5349 -2.3309 -2.3309 -2.3018 -2.3018 -1.1782 -1.1782 -0.9964 -0.9964 -0.9074 -0.9074 -0.8465 -0.8465 -0.6913 -0.6913 -0.5017 -0.5017 -0.2189 -0.2189 -0.1804 -0.1804 -0.1513 -0.1513 -0.0993 -0.0993 0.0765 0.0765 0.1115 0.1115 0.1359 0.1359 0.1920 0.1920 0.3137 0.3137 0.5039 0.5039 4.8528 4.8528 5.1854 5.1854 k = 0.3333-0.0000 0.5635 ( 10898 PWs) bands (ev): -12.3010 -12.3010 -12.2349 -12.2349 -11.0449 -11.0449 -11.0157 -11.0157 -10.8942 -10.8942 -10.8674 -10.8674 -10.8160 -10.8160 -10.7824 -10.7824 -5.3059 -5.3059 -5.2214 -5.2214 -2.8983 -2.8983 -2.8172 -2.8172 -2.6662 -2.6662 -2.5489 -2.5489 -2.3254 -2.3254 -2.2929 -2.2929 -1.1761 -1.1761 -0.9828 -0.9828 -0.9037 -0.9037 -0.8751 -0.8751 -0.6929 -0.6929 -0.5225 -0.5225 -0.2038 -0.2038 -0.1751 -0.1751 -0.1390 -0.1390 -0.0909 -0.0909 0.0602 0.0602 0.0943 0.0943 0.1344 0.1344 0.1812 0.1812 0.3197 0.3197 0.4872 0.4872 4.8918 4.8918 5.1898 5.1898 k = 0.3571-0.0000 0.5635 ( 10892 PWs) bands (ev): -12.2960 -12.2960 -12.2386 -12.2386 -11.0469 -11.0469 -11.0210 -11.0210 -10.8918 -10.8918 -10.8684 -10.8684 -10.8119 -10.8119 -10.7832 -10.7832 -5.2971 -5.2971 -5.2236 -5.2236 -2.8886 -2.8886 -2.8177 -2.8177 -2.6663 -2.6663 -2.5629 -2.5629 -2.3195 -2.3195 -2.2861 -2.2861 -1.1707 -1.1707 -0.9692 -0.9692 -0.9048 -0.9048 -0.8995 -0.8995 -0.6940 -0.6940 -0.5442 -0.5442 -0.1879 -0.1879 -0.1679 -0.1679 -0.1259 -0.1259 -0.0837 -0.0837 0.0426 0.0426 0.0756 0.0756 0.1336 0.1336 0.1711 0.1711 0.3266 0.3266 0.4708 0.4708 4.9302 4.9302 5.1911 5.1911 k = 0.3810-0.0000 0.5635 ( 10904 PWs) bands (ev): -12.2909 -12.2909 -12.2425 -12.2425 -11.0482 -11.0482 -11.0261 -11.0261 -10.8894 -10.8894 -10.8696 -10.8696 -10.8080 -10.8080 -10.7843 -10.7843 -5.2884 -5.2884 -5.2265 -5.2265 -2.8790 -2.8790 -2.8190 -2.8190 -2.6649 -2.6649 -2.5766 -2.5766 -2.3134 -2.3134 -2.2814 -2.2814 -1.1620 -1.1620 -0.9563 -0.9563 -0.9333 -0.9333 -0.8969 -0.8969 -0.6942 -0.6942 -0.5664 -0.5664 -0.1717 -0.1717 -0.1582 -0.1582 -0.1131 -0.1131 -0.0778 -0.0778 0.0243 0.0243 0.0564 0.0564 0.1329 0.1329 0.1620 0.1620 0.3343 0.3343 0.4550 0.4550 4.9676 4.9676 5.1891 5.1891 k = 0.4048-0.0000 0.5635 ( 10912 PWs) bands (ev): -12.2858 -12.2858 -12.2466 -12.2466 -11.0488 -11.0488 -11.0307 -11.0307 -10.8870 -10.8870 -10.8710 -10.8710 -10.8044 -10.8044 -10.7855 -10.7855 -5.2799 -5.2799 -5.2300 -5.2300 -2.8698 -2.8698 -2.8211 -2.8211 -2.6620 -2.6620 -2.5899 -2.5899 -2.3073 -2.3073 -2.2787 -2.2787 -1.1501 -1.1501 -0.9641 -0.9641 -0.9421 -0.9421 -0.8948 -0.8948 -0.6927 -0.6927 -0.5883 -0.5883 -0.1557 -0.1557 -0.1458 -0.1458 -0.1013 -0.1013 -0.0734 -0.0734 0.0055 0.0055 0.0372 0.0372 0.1322 0.1322 0.1539 0.1539 0.3429 0.3429 0.4397 0.4397 5.0034 5.0034 5.1834 5.1834 k = 0.4286-0.0000 0.5635 ( 10910 PWs) bands (ev): -12.2806 -12.2806 -12.2510 -12.2510 -11.0488 -11.0488 -11.0350 -11.0350 -10.8846 -10.8846 -10.8725 -10.8725 -10.8011 -10.8011 -10.7870 -10.7870 -5.2718 -5.2718 -5.2341 -5.2341 -2.8610 -2.8610 -2.8241 -2.8241 -2.6575 -2.6575 -2.6026 -2.6026 -2.3012 -2.3012 -2.2779 -2.2779 -1.1349 -1.1349 -0.9925 -0.9925 -0.9306 -0.9306 -0.8940 -0.8940 -0.6891 -0.6891 -0.6093 -0.6093 -0.1403 -0.1403 -0.1312 -0.1312 -0.0919 -0.0919 -0.0703 -0.0703 -0.0127 -0.0127 0.0186 0.0186 0.1318 0.1318 0.1471 0.1471 0.3523 0.3523 0.4250 0.4250 5.0372 5.0372 5.1738 5.1738 k = 0.4524-0.0000 0.5635 ( 10896 PWs) bands (ev): -12.2754 -12.2754 -12.2556 -12.2556 -11.0481 -11.0481 -11.0387 -11.0387 -10.8823 -10.8823 -10.8742 -10.8742 -10.7980 -10.7980 -10.7887 -10.7887 -5.2641 -5.2641 -5.2388 -5.2388 -2.8529 -2.8529 -2.8280 -2.8280 -2.6516 -2.6516 -2.6145 -2.6145 -2.2953 -2.2953 -2.2789 -2.2789 -1.1167 -1.1167 -1.0205 -1.0205 -0.9200 -0.9200 -0.8951 -0.8951 -0.6828 -0.6828 -0.6289 -0.6289 -0.1250 -0.1250 -0.1156 -0.1156 -0.0871 -0.0871 -0.0685 -0.0685 -0.0279 -0.0279 0.0010 0.0010 0.1318 0.1318 0.1415 0.1415 0.3625 0.3625 0.4110 0.4110 5.0684 5.0684 5.1603 5.1603 k = 0.4762-0.0000 0.5635 ( 10892 PWs) bands (ev): -12.2703 -12.2703 -12.2604 -12.2604 -11.0467 -11.0467 -11.0420 -11.0420 -10.8801 -10.8801 -10.8760 -10.8760 -10.7953 -10.7953 -10.7906 -10.7906 -5.2569 -5.2569 -5.2442 -5.2442 -2.8454 -2.8454 -2.8329 -2.8329 -2.6442 -2.6442 -2.6256 -2.6256 -2.2899 -2.2899 -2.2815 -2.2815 -1.0958 -1.0958 -1.0473 -1.0473 -0.9109 -0.9109 -0.8982 -0.8982 -0.6736 -0.6736 -0.6464 -0.6464 -0.1104 -0.1104 -0.1009 -0.1009 -0.0884 -0.0884 -0.0722 -0.0722 -0.0337 -0.0337 -0.0148 -0.0148 0.1326 0.1326 0.1373 0.1373 0.3735 0.3735 0.3978 0.3978 5.0967 5.0967 5.1429 5.1429 k = 0.5000-0.0000 0.5635 ( 10892 PWs) bands (ev): -12.2653 -12.2653 -12.2653 -12.2653 -11.0446 -11.0446 -11.0446 -11.0446 -10.8780 -10.8780 -10.8780 -10.8780 -10.7928 -10.7928 -10.7928 -10.7928 -5.2503 -5.2503 -5.2503 -5.2503 -2.8387 -2.8387 -2.8387 -2.8387 -2.6355 -2.6355 -2.6355 -2.6355 -2.2852 -2.2852 -2.2852 -2.2852 -1.0726 -1.0726 -1.0726 -1.0726 -0.9035 -0.9035 -0.9035 -0.9035 -0.6614 -0.6614 -0.6614 -0.6614 -0.0986 -0.0986 -0.0986 -0.0986 -0.0836 -0.0836 -0.0836 -0.0836 -0.0274 -0.0274 -0.0274 -0.0274 0.1343 0.1343 0.1343 0.1343 0.3853 0.3853 0.3853 0.3853 5.1216 5.1216 5.1216 5.1216 Writing output data file SiS4.save init_run : 0.32s CPU 0.48s WALL ( 1 calls) electrons : 331.19s CPU 333.99s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 331.19s CPU 333.99s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.12s CPU 0.14s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.10s WALL ( 220 calls) cegterg : 301.17s CPU 303.43s WALL ( 220 calls) Called by sum_band: Called by *egterg: h_psi : 176.61s CPU 178.84s WALL ( 4015 calls) s_psi : 12.39s CPU 12.39s WALL ( 4015 calls) g_psi : 0.27s CPU 0.26s WALL ( 3575 calls) cdiaghg : 104.66s CPU 104.79s WALL ( 3795 calls) cegterg:over : 13.66s CPU 13.78s WALL ( 3575 calls) cegterg:upda : 8.46s CPU 8.41s WALL ( 3575 calls) cegterg:last : 4.50s CPU 4.51s WALL ( 680 calls) cdiaghg:chol : 3.80s CPU 3.76s WALL ( 3795 calls) cdiaghg:inve : 2.87s CPU 2.82s WALL ( 3795 calls) cdiaghg:para : 6.50s CPU 6.49s WALL ( 7590 calls) Called by h_psi: h_psi:vloc : 149.30s CPU 151.35s WALL ( 4015 calls) h_psi:vnl : 27.08s CPU 27.24s WALL ( 4015 calls) add_vuspsi : 14.52s CPU 14.56s WALL ( 4015 calls) General routines calbec : 12.54s CPU 12.67s WALL ( 4015 calls) fft : 0.01s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 146.14s CPU 148.16s WALL ( 662932 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.21s WALL ( 440 calls) Parallel routines fft_scatter : 105.64s CPU 107.70s WALL ( 662955 calls) PWSCF : 6m22.78s CPU 6m51.91s WALL This run was terminated on: 9:19:24 1Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=