Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:38:38 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 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./CS2.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: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 45 23 6 2985 1055 164 Max 46 24 7 2996 1078 175 Sum 1653 841 239 107673 38381 6119 bravais-lattice index = 14 lattice parameter (alat) = 8.0191 a.u. unit-cell volume = 1079.2311 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.019052 celldm(2)= 1.000000 celldm(3)= 2.112171 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.134830 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.134830 0.990869 0.000000 ) a(3) = ( 0.000000 0.000000 2.112171 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.136073 -0.000000 ) b(2) = ( 0.000000 1.009215 -0.000000 ) b(3) = ( 0.000000 0.000000 0.473446 ) 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 C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) C 4.00 12.01070 C( 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 [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) f =( 0.4325848 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.4954343 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.0560857 ) 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 [0,0,1] cryst. s( 4) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.4325848 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.4954343 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0560857 ) 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 [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 364 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 2) = ( 0.0088119 0.0100922 -0.0000000), wk = 0.0027473 k( 3) = ( 0.0176238 0.0201843 -0.0000000), wk = 0.0027473 k( 4) = ( 0.0264357 0.0302765 -0.0000000), wk = 0.0027473 k( 5) = ( 0.0352476 0.0403686 -0.0000000), wk = 0.0027473 k( 6) = ( 0.0440595 0.0504608 -0.0000000), wk = 0.0027473 k( 7) = ( 0.0528713 0.0605529 -0.0000000), wk = 0.0027473 k( 8) = ( 0.0616832 0.0706451 -0.0000000), wk = 0.0027473 k( 9) = ( 0.0704951 0.0807372 -0.0000000), wk = 0.0027473 k( 10) = ( 0.0793070 0.0908294 -0.0000000), wk = 0.0027473 k( 11) = ( 0.0881189 0.1009215 -0.0000000), wk = 0.0027473 k( 12) = ( 0.0969308 0.1110137 -0.0000000), wk = 0.0027473 k( 13) = ( 0.1057427 0.1211059 -0.0000000), wk = 0.0027473 k( 14) = ( 0.1145546 0.1311980 -0.0000000), wk = 0.0027473 k( 15) = ( 0.1233665 0.1412902 -0.0000000), wk = 0.0027473 k( 16) = ( 0.1321783 0.1513823 -0.0000000), wk = 0.0027473 k( 17) = ( 0.1409902 0.1614745 -0.0000000), wk = 0.0027473 k( 18) = ( 0.1498021 0.1715666 -0.0000000), wk = 0.0027473 k( 19) = ( 0.1586140 0.1816588 -0.0000000), wk = 0.0027473 k( 20) = ( 0.1674259 0.1917509 -0.0000000), wk = 0.0027473 k( 21) = ( 0.1762378 0.2018431 -0.0000000), wk = 0.0027473 k( 22) = ( 0.1850497 0.2119352 -0.0000000), wk = 0.0027473 k( 23) = ( 0.1938616 0.2220274 -0.0000000), wk = 0.0027473 k( 24) = ( 0.2026735 0.2321196 -0.0000000), wk = 0.0027473 k( 25) = ( 0.2114853 0.2422117 -0.0000000), wk = 0.0027473 k( 26) = ( 0.2202972 0.2523039 -0.0000000), wk = 0.0027473 k( 27) = ( 0.2291091 0.2623960 -0.0000000), wk = 0.0027473 k( 28) = ( 0.2379210 0.2724882 -0.0000000), wk = 0.0027473 k( 29) = ( 0.2467329 0.2825803 -0.0000000), wk = 0.0027473 k( 30) = ( 0.2555448 0.2926725 -0.0000000), wk = 0.0027473 k( 31) = ( 0.2643567 0.3027646 -0.0000000), wk = 0.0027473 k( 32) = ( 0.2731686 0.3128568 -0.0000000), wk = 0.0027473 k( 33) = ( 0.2819804 0.3229489 -0.0000000), wk = 0.0027473 k( 34) = ( 0.2907923 0.3330411 -0.0000000), wk = 0.0027473 k( 35) = ( 0.2996042 0.3431333 -0.0000000), wk = 0.0027473 k( 36) = ( 0.3084161 0.3532254 -0.0000000), wk = 0.0027473 k( 37) = ( 0.3172280 0.3633176 -0.0000000), wk = 0.0027473 k( 38) = ( 0.3260399 0.3734097 -0.0000000), wk = 0.0027473 k( 39) = ( 0.3348518 0.3835019 -0.0000000), wk = 0.0027473 k( 40) = ( 0.3436637 0.3935940 -0.0000000), wk = 0.0027473 k( 41) = ( 0.3524756 0.4036862 -0.0000000), wk = 0.0027473 k( 42) = ( 0.3612875 0.4137783 -0.0000000), wk = 0.0027473 k( 43) = ( 0.3700993 0.4238705 -0.0000000), wk = 0.0027473 k( 44) = ( 0.3789112 0.4339626 -0.0000000), wk = 0.0027473 k( 45) = ( 0.3877231 0.4440548 -0.0000000), wk = 0.0027473 k( 46) = ( 0.3965350 0.4541470 -0.0000000), wk = 0.0027473 k( 47) = ( 0.4053469 0.4642391 -0.0000000), wk = 0.0027473 k( 48) = ( 0.4141588 0.4743313 -0.0000000), wk = 0.0027473 k( 49) = ( 0.4229707 0.4844234 -0.0000000), wk = 0.0027473 k( 50) = ( 0.4317826 0.4945156 -0.0000000), wk = 0.0027473 k( 51) = ( 0.4405945 0.5046077 -0.0000000), wk = 0.0027473 k( 52) = ( 0.4405945 0.5046077 -0.0000000), wk = 0.0027473 k( 53) = ( 0.4272431 0.5046077 -0.0000000), wk = 0.0027473 k( 54) = ( 0.4138918 0.5046077 -0.0000000), wk = 0.0027473 k( 55) = ( 0.4005404 0.5046077 -0.0000000), wk = 0.0027473 k( 56) = ( 0.3871891 0.5046077 -0.0000000), wk = 0.0027473 k( 57) = ( 0.3738377 0.5046077 -0.0000000), wk = 0.0027473 k( 58) = ( 0.3604864 0.5046077 -0.0000000), wk = 0.0027473 k( 59) = ( 0.3471350 0.5046077 -0.0000000), wk = 0.0027473 k( 60) = ( 0.3337837 0.5046077 -0.0000000), wk = 0.0027473 k( 61) = ( 0.3204323 0.5046077 -0.0000000), wk = 0.0027473 k( 62) = ( 0.3070810 0.5046077 -0.0000000), wk = 0.0027473 k( 63) = ( 0.2937296 0.5046077 -0.0000000), wk = 0.0027473 k( 64) = ( 0.2803783 0.5046077 -0.0000000), wk = 0.0027473 k( 65) = ( 0.2670269 0.5046077 -0.0000000), wk = 0.0027473 k( 66) = ( 0.2536756 0.5046077 -0.0000000), wk = 0.0027473 k( 67) = ( 0.2403242 0.5046077 -0.0000000), wk = 0.0027473 k( 68) = ( 0.2269729 0.5046077 -0.0000000), wk = 0.0027473 k( 69) = ( 0.2136215 0.5046077 -0.0000000), wk = 0.0027473 k( 70) = ( 0.2002702 0.5046077 -0.0000000), wk = 0.0027473 k( 71) = ( 0.1869189 0.5046077 -0.0000000), wk = 0.0027473 k( 72) = ( 0.1735675 0.5046077 -0.0000000), wk = 0.0027473 k( 73) = ( 0.1602162 0.5046077 -0.0000000), wk = 0.0027473 k( 74) = ( 0.1468648 0.5046077 -0.0000000), wk = 0.0027473 k( 75) = ( 0.1335135 0.5046077 -0.0000000), wk = 0.0027473 k( 76) = ( 0.1201621 0.5046077 -0.0000000), wk = 0.0027473 k( 77) = ( 0.1068108 0.5046077 -0.0000000), wk = 0.0027473 k( 78) = ( 0.0934594 0.5046077 -0.0000000), wk = 0.0027473 k( 79) = ( 0.0801081 0.5046077 -0.0000000), wk = 0.0027473 k( 80) = ( 0.0667567 0.5046077 -0.0000000), wk = 0.0027473 k( 81) = ( 0.0534054 0.5046077 -0.0000000), wk = 0.0027473 k( 82) = ( 0.0400540 0.5046077 -0.0000000), wk = 0.0027473 k( 83) = ( 0.0267027 0.5046077 -0.0000000), wk = 0.0027473 k( 84) = ( 0.0133513 0.5046077 -0.0000000), wk = 0.0027473 k( 85) = ( 0.0000000 0.5046077 -0.0000000), wk = 0.0027473 k( 86) = ( 0.0000000 0.5046077 -0.0000000), wk = 0.0027473 k( 87) = ( 0.0000000 0.5046077 0.0131513), wk = 0.0027473 k( 88) = ( 0.0000000 0.5046077 0.0263026), wk = 0.0027473 k( 89) = ( 0.0000000 0.5046077 0.0394539), wk = 0.0027473 k( 90) = ( 0.0000000 0.5046077 0.0526052), wk = 0.0027473 k( 91) = ( 0.0000000 0.5046077 0.0657564), wk = 0.0027473 k( 92) = ( 0.0000000 0.5046077 0.0789077), wk = 0.0027473 k( 93) = ( 0.0000000 0.5046077 0.0920590), wk = 0.0027473 k( 94) = ( 0.0000000 0.5046077 0.1052103), wk = 0.0027473 k( 95) = ( 0.0000000 0.5046077 0.1183616), wk = 0.0027473 k( 96) = ( 0.0000000 0.5046077 0.1315129), wk = 0.0027473 k( 97) = ( 0.0000000 0.5046077 0.1446642), wk = 0.0027473 k( 98) = ( 0.0000000 0.5046077 0.1578155), wk = 0.0027473 k( 99) = ( 0.0000000 0.5046077 0.1709668), wk = 0.0027473 k( 100) = ( 0.0000000 0.5046077 0.1841180), wk = 0.0027473 k( 101) = ( 0.0000000 0.5046077 0.1972693), wk = 0.0027473 k( 102) = ( 0.0000000 0.5046077 0.2104206), wk = 0.0027473 k( 103) = ( 0.0000000 0.5046077 0.2235719), wk = 0.0027473 k( 104) = ( 0.0000000 0.5046077 0.2367232), wk = 0.0027473 k( 105) = ( 0.0000000 0.5046077 0.2367232), wk = 0.0027473 k( 106) = ( 0.0133513 0.5046077 0.2367232), wk = 0.0027473 k( 107) = ( 0.0267027 0.5046077 0.2367232), wk = 0.0027473 k( 108) = ( 0.0400540 0.5046077 0.2367232), wk = 0.0027473 k( 109) = ( 0.0534054 0.5046077 0.2367232), wk = 0.0027473 k( 110) = ( 0.0667567 0.5046077 0.2367232), wk = 0.0027473 k( 111) = ( 0.0801081 0.5046077 0.2367232), wk = 0.0027473 k( 112) = ( 0.0934594 0.5046077 0.2367232), wk = 0.0027473 k( 113) = ( 0.1068108 0.5046077 0.2367232), wk = 0.0027473 k( 114) = ( 0.1201621 0.5046077 0.2367232), wk = 0.0027473 k( 115) = ( 0.1335135 0.5046077 0.2367232), wk = 0.0027473 k( 116) = ( 0.1468648 0.5046077 0.2367232), wk = 0.0027473 k( 117) = ( 0.1602162 0.5046077 0.2367232), wk = 0.0027473 k( 118) = ( 0.1735675 0.5046077 0.2367232), wk = 0.0027473 k( 119) = ( 0.1869189 0.5046077 0.2367232), wk = 0.0027473 k( 120) = ( 0.2002702 0.5046077 0.2367232), wk = 0.0027473 k( 121) = ( 0.2136215 0.5046077 0.2367232), wk = 0.0027473 k( 122) = ( 0.2269729 0.5046077 0.2367232), wk = 0.0027473 k( 123) = ( 0.2403242 0.5046077 0.2367232), wk = 0.0027473 k( 124) = ( 0.2536756 0.5046077 0.2367232), wk = 0.0027473 k( 125) = ( 0.2670269 0.5046077 0.2367232), wk = 0.0027473 k( 126) = ( 0.2803783 0.5046077 0.2367232), wk = 0.0027473 k( 127) = ( 0.2937296 0.5046077 0.2367232), wk = 0.0027473 k( 128) = ( 0.3070810 0.5046077 0.2367232), wk = 0.0027473 k( 129) = ( 0.3204323 0.5046077 0.2367232), wk = 0.0027473 k( 130) = ( 0.3337837 0.5046077 0.2367232), wk = 0.0027473 k( 131) = ( 0.3471350 0.5046077 0.2367232), wk = 0.0027473 k( 132) = ( 0.3604864 0.5046077 0.2367232), wk = 0.0027473 k( 133) = ( 0.3738377 0.5046077 0.2367232), wk = 0.0027473 k( 134) = ( 0.3871891 0.5046077 0.2367232), wk = 0.0027473 k( 135) = ( 0.4005404 0.5046077 0.2367232), wk = 0.0027473 k( 136) = ( 0.4138918 0.5046077 0.2367232), wk = 0.0027473 k( 137) = ( 0.4272431 0.5046077 0.2367232), wk = 0.0027473 k( 138) = ( 0.4405945 0.5046077 0.2367232), wk = 0.0027473 k( 139) = ( 0.4405945 0.5046077 0.2367232), wk = 0.0027473 k( 140) = ( 0.4317826 0.4945156 0.2367232), wk = 0.0027473 k( 141) = ( 0.4229707 0.4844234 0.2367232), wk = 0.0027473 k( 142) = ( 0.4141588 0.4743313 0.2367232), wk = 0.0027473 k( 143) = ( 0.4053469 0.4642391 0.2367232), wk = 0.0027473 k( 144) = ( 0.3965350 0.4541470 0.2367232), wk = 0.0027473 k( 145) = ( 0.3877231 0.4440548 0.2367232), wk = 0.0027473 k( 146) = ( 0.3789112 0.4339626 0.2367232), wk = 0.0027473 k( 147) = ( 0.3700993 0.4238705 0.2367232), wk = 0.0027473 k( 148) = ( 0.3612875 0.4137783 0.2367232), wk = 0.0027473 k( 149) = ( 0.3524756 0.4036862 0.2367232), wk = 0.0027473 k( 150) = ( 0.3436637 0.3935940 0.2367232), wk = 0.0027473 k( 151) = ( 0.3348518 0.3835019 0.2367232), wk = 0.0027473 k( 152) = ( 0.3260399 0.3734097 0.2367232), wk = 0.0027473 k( 153) = ( 0.3172280 0.3633176 0.2367232), wk = 0.0027473 k( 154) = ( 0.3084161 0.3532254 0.2367232), wk = 0.0027473 k( 155) = ( 0.2996042 0.3431333 0.2367232), wk = 0.0027473 k( 156) = ( 0.2907923 0.3330411 0.2367232), wk = 0.0027473 k( 157) = ( 0.2819804 0.3229489 0.2367232), wk = 0.0027473 k( 158) = ( 0.2731686 0.3128568 0.2367232), wk = 0.0027473 k( 159) = ( 0.2643567 0.3027646 0.2367232), wk = 0.0027473 k( 160) = ( 0.2555448 0.2926725 0.2367232), wk = 0.0027473 k( 161) = ( 0.2467329 0.2825803 0.2367232), wk = 0.0027473 k( 162) = ( 0.2379210 0.2724882 0.2367232), wk = 0.0027473 k( 163) = ( 0.2291091 0.2623960 0.2367232), wk = 0.0027473 k( 164) = ( 0.2202972 0.2523039 0.2367232), wk = 0.0027473 k( 165) = ( 0.2114853 0.2422117 0.2367232), wk = 0.0027473 k( 166) = ( 0.2026735 0.2321196 0.2367232), wk = 0.0027473 k( 167) = ( 0.1938616 0.2220274 0.2367232), wk = 0.0027473 k( 168) = ( 0.1850497 0.2119352 0.2367232), wk = 0.0027473 k( 169) = ( 0.1762378 0.2018431 0.2367232), wk = 0.0027473 k( 170) = ( 0.1674259 0.1917509 0.2367232), wk = 0.0027473 k( 171) = ( 0.1586140 0.1816588 0.2367232), wk = 0.0027473 k( 172) = ( 0.1498021 0.1715666 0.2367232), wk = 0.0027473 k( 173) = ( 0.1409902 0.1614745 0.2367232), wk = 0.0027473 k( 174) = ( 0.1321783 0.1513823 0.2367232), wk = 0.0027473 k( 175) = ( 0.1233665 0.1412902 0.2367232), wk = 0.0027473 k( 176) = ( 0.1145546 0.1311980 0.2367232), wk = 0.0027473 k( 177) = ( 0.1057427 0.1211059 0.2367232), wk = 0.0027473 k( 178) = ( 0.0969308 0.1110137 0.2367232), wk = 0.0027473 k( 179) = ( 0.0881189 0.1009215 0.2367232), wk = 0.0027473 k( 180) = ( 0.0793070 0.0908294 0.2367232), wk = 0.0027473 k( 181) = ( 0.0704951 0.0807372 0.2367232), wk = 0.0027473 k( 182) = ( 0.0616832 0.0706451 0.2367232), wk = 0.0027473 k( 183) = ( 0.0528713 0.0605529 0.2367232), wk = 0.0027473 k( 184) = ( 0.0440595 0.0504608 0.2367232), wk = 0.0027473 k( 185) = ( 0.0352476 0.0403686 0.2367232), wk = 0.0027473 k( 186) = ( 0.0264357 0.0302765 0.2367232), wk = 0.0027473 k( 187) = ( 0.0176238 0.0201843 0.2367232), wk = 0.0027473 k( 188) = ( 0.0088119 0.0100922 0.2367232), wk = 0.0027473 k( 189) = ( 0.0000000 0.0000000 0.2367232), wk = 0.0027473 k( 190) = ( 0.0000000 0.0000000 0.2367232), wk = 0.0027473 k( 191) = ( 0.0000000 0.0000000 0.2235719), wk = 0.0027473 k( 192) = ( 0.0000000 0.0000000 0.2104206), wk = 0.0027473 k( 193) = ( 0.0000000 0.0000000 0.1972693), wk = 0.0027473 k( 194) = ( 0.0000000 0.0000000 0.1841180), wk = 0.0027473 k( 195) = ( 0.0000000 0.0000000 0.1709668), wk = 0.0027473 k( 196) = ( 0.0000000 0.0000000 0.1578155), wk = 0.0027473 k( 197) = ( 0.0000000 0.0000000 0.1446642), wk = 0.0027473 k( 198) = ( 0.0000000 0.0000000 0.1315129), wk = 0.0027473 k( 199) = ( 0.0000000 0.0000000 0.1183616), wk = 0.0027473 k( 200) = ( 0.0000000 0.0000000 0.1052103), wk = 0.0027473 k( 201) = ( 0.0000000 0.0000000 0.0920590), wk = 0.0027473 k( 202) = ( 0.0000000 0.0000000 0.0789077), wk = 0.0027473 k( 203) = ( 0.0000000 0.0000000 0.0657564), wk = 0.0027473 k( 204) = ( 0.0000000 0.0000000 0.0526052), wk = 0.0027473 k( 205) = ( 0.0000000 0.0000000 0.0394539), wk = 0.0027473 k( 206) = ( 0.0000000 0.0000000 0.0263026), wk = 0.0027473 k( 207) = ( 0.0000000 0.0000000 0.0131513), wk = 0.0027473 k( 208) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 209) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 210) = ( -0.0100000 0.0087314 0.0000000), wk = 0.0027473 k( 211) = ( -0.0200000 0.0174628 0.0000000), wk = 0.0027473 k( 212) = ( -0.0300000 0.0261943 0.0000000), wk = 0.0027473 k( 213) = ( -0.0400000 0.0349257 0.0000000), wk = 0.0027473 k( 214) = ( -0.0500000 0.0436571 0.0000000), wk = 0.0027473 k( 215) = ( -0.0600000 0.0523885 0.0000000), wk = 0.0027473 k( 216) = ( -0.0700000 0.0611200 0.0000000), wk = 0.0027473 k( 217) = ( -0.0800000 0.0698514 0.0000000), wk = 0.0027473 k( 218) = ( -0.0900000 0.0785828 0.0000000), wk = 0.0027473 k( 219) = ( -0.1000000 0.0873142 0.0000000), wk = 0.0027473 k( 220) = ( -0.1100000 0.0960457 0.0000000), wk = 0.0027473 k( 221) = ( -0.1200000 0.1047771 0.0000000), wk = 0.0027473 k( 222) = ( -0.1300000 0.1135085 0.0000000), wk = 0.0027473 k( 223) = ( -0.1400000 0.1222399 0.0000000), wk = 0.0027473 k( 224) = ( -0.1500000 0.1309714 0.0000000), wk = 0.0027473 k( 225) = ( -0.1600000 0.1397028 0.0000000), wk = 0.0027473 k( 226) = ( -0.1700000 0.1484342 0.0000000), wk = 0.0027473 k( 227) = ( -0.1800000 0.1571656 0.0000000), wk = 0.0027473 k( 228) = ( -0.1900000 0.1658971 0.0000000), wk = 0.0027473 k( 229) = ( -0.2000000 0.1746285 0.0000000), wk = 0.0027473 k( 230) = ( -0.2100000 0.1833599 0.0000000), wk = 0.0027473 k( 231) = ( -0.2200000 0.1920913 0.0000000), wk = 0.0027473 k( 232) = ( -0.2300000 0.2008228 0.0000000), wk = 0.0027473 k( 233) = ( -0.2400000 0.2095542 0.0000000), wk = 0.0027473 k( 234) = ( -0.2500000 0.2182856 0.0000000), wk = 0.0027473 k( 235) = ( -0.2600000 0.2270170 0.0000000), wk = 0.0027473 k( 236) = ( -0.2700000 0.2357485 0.0000000), wk = 0.0027473 k( 237) = ( -0.2800000 0.2444799 0.0000000), wk = 0.0027473 k( 238) = ( -0.2900000 0.2532113 0.0000000), wk = 0.0027473 k( 239) = ( -0.3000000 0.2619427 0.0000000), wk = 0.0027473 k( 240) = ( -0.3100000 0.2706742 0.0000000), wk = 0.0027473 k( 241) = ( -0.3200000 0.2794056 0.0000000), wk = 0.0027473 k( 242) = ( -0.3300000 0.2881370 0.0000000), wk = 0.0027473 k( 243) = ( -0.3400000 0.2968684 0.0000000), wk = 0.0027473 k( 244) = ( -0.3500000 0.3055999 0.0000000), wk = 0.0027473 k( 245) = ( -0.3600000 0.3143313 0.0000000), wk = 0.0027473 k( 246) = ( -0.3700000 0.3230627 0.0000000), wk = 0.0027473 k( 247) = ( -0.3800000 0.3317941 0.0000000), wk = 0.0027473 k( 248) = ( -0.3900000 0.3405256 0.0000000), wk = 0.0027473 k( 249) = ( -0.4000000 0.3492570 0.0000000), wk = 0.0027473 k( 250) = ( -0.4100000 0.3579884 0.0000000), wk = 0.0027473 k( 251) = ( -0.4200000 0.3667198 0.0000000), wk = 0.0027473 k( 252) = ( -0.4300000 0.3754513 0.0000000), wk = 0.0027473 k( 253) = ( -0.4400000 0.3841827 0.0000000), wk = 0.0027473 k( 254) = ( -0.4500000 0.3929141 0.0000000), wk = 0.0027473 k( 255) = ( -0.4600000 0.4016455 0.0000000), wk = 0.0027473 k( 256) = ( -0.4700000 0.4103770 0.0000000), wk = 0.0027473 k( 257) = ( -0.4800000 0.4191084 0.0000000), wk = 0.0027473 k( 258) = ( -0.4900000 0.4278398 0.0000000), wk = 0.0027473 k( 259) = ( -0.5000000 0.4365712 0.0000000), wk = 0.0027473 k( 260) = ( -0.5000000 0.4365712 0.0000000), wk = 0.0027473 k( 261) = ( -0.4915135 0.4462908 -0.0000000), wk = 0.0027473 k( 262) = ( -0.4830270 0.4560102 -0.0000000), wk = 0.0027473 k( 263) = ( -0.4745405 0.4657297 -0.0000000), wk = 0.0027473 k( 264) = ( -0.4660540 0.4754492 -0.0000000), wk = 0.0027473 k( 265) = ( -0.4575675 0.4851687 -0.0000000), wk = 0.0027473 k( 266) = ( -0.4490810 0.4948882 -0.0000000), wk = 0.0027473 k( 267) = ( -0.4405945 0.5046077 -0.0000000), wk = 0.0027473 k( 268) = ( -0.4405945 0.5046077 -0.0000000), wk = 0.0027473 k( 269) = ( -0.4405945 0.5046077 0.0131513), wk = 0.0027473 k( 270) = ( -0.4405945 0.5046077 0.0263026), wk = 0.0027473 k( 271) = ( -0.4405945 0.5046077 0.0394539), wk = 0.0027473 k( 272) = ( -0.4405945 0.5046077 0.0526052), wk = 0.0027473 k( 273) = ( -0.4405945 0.5046077 0.0657564), wk = 0.0027473 k( 274) = ( -0.4405945 0.5046077 0.0789077), wk = 0.0027473 k( 275) = ( -0.4405945 0.5046077 0.0920590), wk = 0.0027473 k( 276) = ( -0.4405945 0.5046077 0.1052103), wk = 0.0027473 k( 277) = ( -0.4405945 0.5046077 0.1183616), wk = 0.0027473 k( 278) = ( -0.4405945 0.5046077 0.1315129), wk = 0.0027473 k( 279) = ( -0.4405945 0.5046077 0.1446642), wk = 0.0027473 k( 280) = ( -0.4405945 0.5046077 0.1578155), wk = 0.0027473 k( 281) = ( -0.4405945 0.5046077 0.1709668), wk = 0.0027473 k( 282) = ( -0.4405945 0.5046077 0.1841180), wk = 0.0027473 k( 283) = ( -0.4405945 0.5046077 0.1972693), wk = 0.0027473 k( 284) = ( -0.4405945 0.5046077 0.2104206), wk = 0.0027473 k( 285) = ( -0.4405945 0.5046077 0.2235719), wk = 0.0027473 k( 286) = ( -0.4405945 0.5046077 0.2367232), wk = 0.0027473 k( 287) = ( -0.4405945 0.5046077 0.2367232), wk = 0.0027473 k( 288) = ( -0.4490810 0.4948882 0.2367232), wk = 0.0027473 k( 289) = ( -0.4575675 0.4851687 0.2367232), wk = 0.0027473 k( 290) = ( -0.4660540 0.4754492 0.2367232), wk = 0.0027473 k( 291) = ( -0.4745405 0.4657297 0.2367232), wk = 0.0027473 k( 292) = ( -0.4830270 0.4560102 0.2367232), wk = 0.0027473 k( 293) = ( -0.4915135 0.4462908 0.2367232), wk = 0.0027473 k( 294) = ( -0.5000000 0.4365712 0.2367232), wk = 0.0027473 k( 295) = ( -0.5000000 0.4365712 0.2367232), wk = 0.0027473 k( 296) = ( -0.5000000 0.4365712 0.2235719), wk = 0.0027473 k( 297) = ( -0.5000000 0.4365712 0.2104206), wk = 0.0027473 k( 298) = ( -0.5000000 0.4365712 0.1972693), wk = 0.0027473 k( 299) = ( -0.5000000 0.4365712 0.1841180), wk = 0.0027473 k( 300) = ( -0.5000000 0.4365712 0.1709668), wk = 0.0027473 k( 301) = ( -0.5000000 0.4365712 0.1578155), wk = 0.0027473 k( 302) = ( -0.5000000 0.4365712 0.1446642), wk = 0.0027473 k( 303) = ( -0.5000000 0.4365712 0.1315129), wk = 0.0027473 k( 304) = ( -0.5000000 0.4365712 0.1183616), wk = 0.0027473 k( 305) = ( -0.5000000 0.4365712 0.1052103), wk = 0.0027473 k( 306) = ( -0.5000000 0.4365712 0.0920590), wk = 0.0027473 k( 307) = ( -0.5000000 0.4365712 0.0789077), wk = 0.0027473 k( 308) = ( -0.5000000 0.4365712 0.0657564), wk = 0.0027473 k( 309) = ( -0.5000000 0.4365712 0.0526052), wk = 0.0027473 k( 310) = ( -0.5000000 0.4365712 0.0394539), wk = 0.0027473 k( 311) = ( -0.5000000 0.4365712 0.0263026), wk = 0.0027473 k( 312) = ( -0.5000000 0.4365712 0.0131513), wk = 0.0027473 k( 313) = ( -0.5000000 0.4365712 0.0000000), wk = 0.0027473 k( 314) = ( 0.0000000 0.0000000 0.2367232), wk = 0.0027473 k( 315) = ( -0.0100000 0.0087314 0.2367232), wk = 0.0027473 k( 316) = ( -0.0200000 0.0174628 0.2367232), wk = 0.0027473 k( 317) = ( -0.0300000 0.0261943 0.2367232), wk = 0.0027473 k( 318) = ( -0.0400000 0.0349257 0.2367232), wk = 0.0027473 k( 319) = ( -0.0500000 0.0436571 0.2367232), wk = 0.0027473 k( 320) = ( -0.0600000 0.0523885 0.2367232), wk = 0.0027473 k( 321) = ( -0.0700000 0.0611200 0.2367232), wk = 0.0027473 k( 322) = ( -0.0800000 0.0698514 0.2367232), wk = 0.0027473 k( 323) = ( -0.0900000 0.0785828 0.2367232), wk = 0.0027473 k( 324) = ( -0.1000000 0.0873142 0.2367232), wk = 0.0027473 k( 325) = ( -0.1100000 0.0960457 0.2367232), wk = 0.0027473 k( 326) = ( -0.1200000 0.1047771 0.2367232), wk = 0.0027473 k( 327) = ( -0.1300000 0.1135085 0.2367232), wk = 0.0027473 k( 328) = ( -0.1400000 0.1222399 0.2367232), wk = 0.0027473 k( 329) = ( -0.1500000 0.1309714 0.2367232), wk = 0.0027473 k( 330) = ( -0.1600000 0.1397028 0.2367232), wk = 0.0027473 k( 331) = ( -0.1700000 0.1484342 0.2367232), wk = 0.0027473 k( 332) = ( -0.1800000 0.1571656 0.2367232), wk = 0.0027473 k( 333) = ( -0.1900000 0.1658971 0.2367232), wk = 0.0027473 k( 334) = ( -0.2000000 0.1746285 0.2367232), wk = 0.0027473 k( 335) = ( -0.2100000 0.1833599 0.2367232), wk = 0.0027473 k( 336) = ( -0.2200000 0.1920913 0.2367232), wk = 0.0027473 k( 337) = ( -0.2300000 0.2008228 0.2367232), wk = 0.0027473 k( 338) = ( -0.2400000 0.2095542 0.2367232), wk = 0.0027473 k( 339) = ( -0.2500000 0.2182856 0.2367232), wk = 0.0027473 k( 340) = ( -0.2600000 0.2270170 0.2367232), wk = 0.0027473 k( 341) = ( -0.2700000 0.2357485 0.2367232), wk = 0.0027473 k( 342) = ( -0.2800000 0.2444799 0.2367232), wk = 0.0027473 k( 343) = ( -0.2900000 0.2532113 0.2367232), wk = 0.0027473 k( 344) = ( -0.3000000 0.2619427 0.2367232), wk = 0.0027473 k( 345) = ( -0.3100000 0.2706742 0.2367232), wk = 0.0027473 k( 346) = ( -0.3200000 0.2794056 0.2367232), wk = 0.0027473 k( 347) = ( -0.3300000 0.2881370 0.2367232), wk = 0.0027473 k( 348) = ( -0.3400000 0.2968684 0.2367232), wk = 0.0027473 k( 349) = ( -0.3500000 0.3055999 0.2367232), wk = 0.0027473 k( 350) = ( -0.3600000 0.3143313 0.2367232), wk = 0.0027473 k( 351) = ( -0.3700000 0.3230627 0.2367232), wk = 0.0027473 k( 352) = ( -0.3800000 0.3317941 0.2367232), wk = 0.0027473 k( 353) = ( -0.3900000 0.3405256 0.2367232), wk = 0.0027473 k( 354) = ( -0.4000000 0.3492570 0.2367232), wk = 0.0027473 k( 355) = ( -0.4100000 0.3579884 0.2367232), wk = 0.0027473 k( 356) = ( -0.4200000 0.3667198 0.2367232), wk = 0.0027473 k( 357) = ( -0.4300000 0.3754513 0.2367232), wk = 0.0027473 k( 358) = ( -0.4400000 0.3841827 0.2367232), wk = 0.0027473 k( 359) = ( -0.4500000 0.3929141 0.2367232), wk = 0.0027473 k( 360) = ( -0.4600000 0.4016455 0.2367232), wk = 0.0027473 k( 361) = ( -0.4700000 0.4103770 0.2367232), wk = 0.0027473 k( 362) = ( -0.4800000 0.4191084 0.2367232), wk = 0.0027473 k( 363) = ( -0.4900000 0.4278398 0.2367232), wk = 0.0027473 k( 364) = ( -0.5000000 0.4365712 0.2367232), wk = 0.0027473 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 2) = ( 0.0088119 0.0088119 0.0000000), wk = 0.0027473 k( 3) = ( 0.0176238 0.0176238 0.0000000), wk = 0.0027473 k( 4) = ( 0.0264357 0.0264357 0.0000000), wk = 0.0027473 k( 5) = ( 0.0352476 0.0352476 0.0000000), wk = 0.0027473 k( 6) = ( 0.0440595 0.0440595 0.0000000), wk = 0.0027473 k( 7) = ( 0.0528713 0.0528713 -0.0000000), wk = 0.0027473 k( 8) = ( 0.0616832 0.0616832 0.0000000), wk = 0.0027473 k( 9) = ( 0.0704951 0.0704951 0.0000000), wk = 0.0027473 k( 10) = ( 0.0793070 0.0793070 0.0000000), wk = 0.0027473 k( 11) = ( 0.0881189 0.0881189 -0.0000000), wk = 0.0027473 k( 12) = ( 0.0969308 0.0969308 0.0000000), wk = 0.0027473 k( 13) = ( 0.1057427 0.1057427 0.0000000), wk = 0.0027473 k( 14) = ( 0.1145546 0.1145546 0.0000000), wk = 0.0027473 k( 15) = ( 0.1233665 0.1233664 -0.0000000), wk = 0.0027473 k( 16) = ( 0.1321783 0.1321783 -0.0000000), wk = 0.0027473 k( 17) = ( 0.1409902 0.1409902 0.0000000), wk = 0.0027473 k( 18) = ( 0.1498021 0.1498021 -0.0000000), wk = 0.0027473 k( 19) = ( 0.1586140 0.1586140 0.0000000), wk = 0.0027473 k( 20) = ( 0.1674259 0.1674259 0.0000000), wk = 0.0027473 k( 21) = ( 0.1762378 0.1762378 -0.0000000), wk = 0.0027473 k( 22) = ( 0.1850497 0.1850497 0.0000000), wk = 0.0027473 k( 23) = ( 0.1938616 0.1938616 0.0000000), wk = 0.0027473 k( 24) = ( 0.2026735 0.2026734 -0.0000000), wk = 0.0027473 k( 25) = ( 0.2114853 0.2114853 0.0000000), wk = 0.0027473 k( 26) = ( 0.2202972 0.2202972 -0.0000000), wk = 0.0027473 k( 27) = ( 0.2291091 0.2291091 0.0000000), wk = 0.0027473 k( 28) = ( 0.2379210 0.2379210 -0.0000000), wk = 0.0027473 k( 29) = ( 0.2467329 0.2467329 -0.0000000), wk = 0.0027473 k( 30) = ( 0.2555448 0.2555448 -0.0000000), wk = 0.0027473 k( 31) = ( 0.2643567 0.2643567 0.0000000), wk = 0.0027473 k( 32) = ( 0.2731686 0.2731686 0.0000000), wk = 0.0027473 k( 33) = ( 0.2819804 0.2819804 0.0000000), wk = 0.0027473 k( 34) = ( 0.2907923 0.2907923 -0.0000000), wk = 0.0027473 k( 35) = ( 0.2996042 0.2996042 -0.0000000), wk = 0.0027473 k( 36) = ( 0.3084161 0.3084161 -0.0000000), wk = 0.0027473 k( 37) = ( 0.3172280 0.3172280 0.0000000), wk = 0.0027473 k( 38) = ( 0.3260399 0.3260399 0.0000000), wk = 0.0027473 k( 39) = ( 0.3348518 0.3348518 0.0000000), wk = 0.0027473 k( 40) = ( 0.3436637 0.3436637 0.0000000), wk = 0.0027473 k( 41) = ( 0.3524756 0.3524756 -0.0000000), wk = 0.0027473 k( 42) = ( 0.3612875 0.3612874 -0.0000000), wk = 0.0027473 k( 43) = ( 0.3700993 0.3700993 0.0000000), wk = 0.0027473 k( 44) = ( 0.3789112 0.3789112 -0.0000000), wk = 0.0027473 k( 45) = ( 0.3877231 0.3877231 0.0000000), wk = 0.0027473 k( 46) = ( 0.3965350 0.3965350 0.0000000), wk = 0.0027473 k( 47) = ( 0.4053469 0.4053469 -0.0000000), wk = 0.0027473 k( 48) = ( 0.4141588 0.4141588 0.0000000), wk = 0.0027473 k( 49) = ( 0.4229707 0.4229707 0.0000000), wk = 0.0027473 k( 50) = ( 0.4317826 0.4317826 -0.0000000), wk = 0.0027473 k( 51) = ( 0.4405945 0.4405945 -0.0000000), wk = 0.0027473 k( 52) = ( 0.4405945 0.4405945 -0.0000000), wk = 0.0027473 k( 53) = ( 0.4272431 0.4423946 0.0000000), wk = 0.0027473 k( 54) = ( 0.4138918 0.4441948 0.0000000), wk = 0.0027473 k( 55) = ( 0.4005404 0.4459950 0.0000000), wk = 0.0027473 k( 56) = ( 0.3871891 0.4477951 0.0000000), wk = 0.0027473 k( 57) = ( 0.3738377 0.4495953 0.0000000), wk = 0.0027473 k( 58) = ( 0.3604864 0.4513955 0.0000000), wk = 0.0027473 k( 59) = ( 0.3471350 0.4531956 0.0000000), wk = 0.0027473 k( 60) = ( 0.3337837 0.4549958 0.0000000), wk = 0.0027473 k( 61) = ( 0.3204323 0.4567960 -0.0000000), wk = 0.0027473 k( 62) = ( 0.3070810 0.4585961 -0.0000000), wk = 0.0027473 k( 63) = ( 0.2937296 0.4603963 -0.0000000), wk = 0.0027473 k( 64) = ( 0.2803783 0.4621965 0.0000000), wk = 0.0027473 k( 65) = ( 0.2670269 0.4639966 0.0000000), wk = 0.0027473 k( 66) = ( 0.2536756 0.4657968 -0.0000000), wk = 0.0027473 k( 67) = ( 0.2403242 0.4675970 -0.0000000), wk = 0.0027473 k( 68) = ( 0.2269729 0.4693971 -0.0000000), wk = 0.0027473 k( 69) = ( 0.2136215 0.4711973 0.0000000), wk = 0.0027473 k( 70) = ( 0.2002702 0.4729975 0.0000000), wk = 0.0027473 k( 71) = ( 0.1869189 0.4747977 0.0000000), wk = 0.0027473 k( 72) = ( 0.1735675 0.4765978 0.0000000), wk = 0.0027473 k( 73) = ( 0.1602162 0.4783980 0.0000000), wk = 0.0027473 k( 74) = ( 0.1468648 0.4801981 -0.0000000), wk = 0.0027473 k( 75) = ( 0.1335135 0.4819983 -0.0000000), wk = 0.0027473 k( 76) = ( 0.1201621 0.4837985 0.0000000), wk = 0.0027473 k( 77) = ( 0.1068108 0.4855987 0.0000000), wk = 0.0027473 k( 78) = ( 0.0934594 0.4873988 -0.0000000), wk = 0.0027473 k( 79) = ( 0.0801081 0.4891990 -0.0000000), wk = 0.0027473 k( 80) = ( 0.0667567 0.4909992 -0.0000000), wk = 0.0027473 k( 81) = ( 0.0534054 0.4927993 -0.0000000), wk = 0.0027473 k( 82) = ( 0.0400540 0.4945995 0.0000000), wk = 0.0027473 k( 83) = ( 0.0267027 0.4963997 -0.0000000), wk = 0.0027473 k( 84) = ( 0.0133513 0.4981998 -0.0000000), wk = 0.0027473 k( 85) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027473 k( 86) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027473 k( 87) = ( 0.0000000 0.5000000 0.0277778), wk = 0.0027473 k( 88) = ( 0.0000000 0.5000000 0.0555556), wk = 0.0027473 k( 89) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0027473 k( 90) = ( 0.0000000 0.5000000 0.1111111), wk = 0.0027473 k( 91) = ( 0.0000000 0.5000000 0.1388889), wk = 0.0027473 k( 92) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0027473 k( 93) = ( 0.0000000 0.5000000 0.1944444), wk = 0.0027473 k( 94) = ( 0.0000000 0.5000000 0.2222222), wk = 0.0027473 k( 95) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0027473 k( 96) = ( 0.0000000 0.5000000 0.2777778), wk = 0.0027473 k( 97) = ( 0.0000000 0.5000000 0.3055556), wk = 0.0027473 k( 98) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0027473 k( 99) = ( 0.0000000 0.5000000 0.3611111), wk = 0.0027473 k( 100) = ( 0.0000000 0.5000000 0.3888889), wk = 0.0027473 k( 101) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0027473 k( 102) = ( 0.0000000 0.5000000 0.4444444), wk = 0.0027473 k( 103) = ( 0.0000000 0.5000000 0.4722222), wk = 0.0027473 k( 104) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027473 k( 105) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027473 k( 106) = ( 0.0133513 0.4981998 0.5000000), wk = 0.0027473 k( 107) = ( 0.0267027 0.4963997 0.5000000), wk = 0.0027473 k( 108) = ( 0.0400540 0.4945995 0.5000000), wk = 0.0027473 k( 109) = ( 0.0534054 0.4927993 0.5000000), wk = 0.0027473 k( 110) = ( 0.0667567 0.4909992 0.5000000), wk = 0.0027473 k( 111) = ( 0.0801081 0.4891990 0.5000000), wk = 0.0027473 k( 112) = ( 0.0934594 0.4873988 0.5000000), wk = 0.0027473 k( 113) = ( 0.1068108 0.4855987 0.5000000), wk = 0.0027473 k( 114) = ( 0.1201621 0.4837985 0.5000000), wk = 0.0027473 k( 115) = ( 0.1335135 0.4819983 0.5000000), wk = 0.0027473 k( 116) = ( 0.1468648 0.4801981 0.5000000), wk = 0.0027473 k( 117) = ( 0.1602162 0.4783980 0.5000000), wk = 0.0027473 k( 118) = ( 0.1735675 0.4765978 0.5000000), wk = 0.0027473 k( 119) = ( 0.1869189 0.4747977 0.5000000), wk = 0.0027473 k( 120) = ( 0.2002702 0.4729975 0.5000000), wk = 0.0027473 k( 121) = ( 0.2136215 0.4711973 0.5000000), wk = 0.0027473 k( 122) = ( 0.2269729 0.4693971 0.5000000), wk = 0.0027473 k( 123) = ( 0.2403242 0.4675970 0.5000000), wk = 0.0027473 k( 124) = ( 0.2536756 0.4657968 0.5000000), wk = 0.0027473 k( 125) = ( 0.2670269 0.4639966 0.5000000), wk = 0.0027473 k( 126) = ( 0.2803783 0.4621965 0.5000000), wk = 0.0027473 k( 127) = ( 0.2937296 0.4603963 0.5000000), wk = 0.0027473 k( 128) = ( 0.3070810 0.4585961 0.5000000), wk = 0.0027473 k( 129) = ( 0.3204323 0.4567960 0.5000000), wk = 0.0027473 k( 130) = ( 0.3337837 0.4549958 0.5000000), wk = 0.0027473 k( 131) = ( 0.3471350 0.4531956 0.5000000), wk = 0.0027473 k( 132) = ( 0.3604864 0.4513955 0.5000000), wk = 0.0027473 k( 133) = ( 0.3738377 0.4495953 0.5000000), wk = 0.0027473 k( 134) = ( 0.3871891 0.4477951 0.5000000), wk = 0.0027473 k( 135) = ( 0.4005404 0.4459950 0.5000000), wk = 0.0027473 k( 136) = ( 0.4138918 0.4441948 0.5000000), wk = 0.0027473 k( 137) = ( 0.4272431 0.4423946 0.5000000), wk = 0.0027473 k( 138) = ( 0.4405945 0.4405945 0.5000000), wk = 0.0027473 k( 139) = ( 0.4405945 0.4405945 0.5000000), wk = 0.0027473 k( 140) = ( 0.4317826 0.4317826 0.5000000), wk = 0.0027473 k( 141) = ( 0.4229707 0.4229707 0.5000000), wk = 0.0027473 k( 142) = ( 0.4141588 0.4141588 0.5000000), wk = 0.0027473 k( 143) = ( 0.4053469 0.4053469 0.5000000), wk = 0.0027473 k( 144) = ( 0.3965350 0.3965350 0.5000000), wk = 0.0027473 k( 145) = ( 0.3877231 0.3877231 0.5000000), wk = 0.0027473 k( 146) = ( 0.3789112 0.3789112 0.5000000), wk = 0.0027473 k( 147) = ( 0.3700993 0.3700993 0.5000000), wk = 0.0027473 k( 148) = ( 0.3612875 0.3612874 0.5000000), wk = 0.0027473 k( 149) = ( 0.3524756 0.3524756 0.5000000), wk = 0.0027473 k( 150) = ( 0.3436637 0.3436637 0.5000000), wk = 0.0027473 k( 151) = ( 0.3348518 0.3348518 0.5000000), wk = 0.0027473 k( 152) = ( 0.3260399 0.3260399 0.5000000), wk = 0.0027473 k( 153) = ( 0.3172280 0.3172280 0.5000000), wk = 0.0027473 k( 154) = ( 0.3084161 0.3084161 0.5000000), wk = 0.0027473 k( 155) = ( 0.2996042 0.2996042 0.5000000), wk = 0.0027473 k( 156) = ( 0.2907923 0.2907923 0.5000000), wk = 0.0027473 k( 157) = ( 0.2819804 0.2819804 0.5000000), wk = 0.0027473 k( 158) = ( 0.2731686 0.2731686 0.5000000), wk = 0.0027473 k( 159) = ( 0.2643567 0.2643567 0.5000000), wk = 0.0027473 k( 160) = ( 0.2555448 0.2555448 0.5000000), wk = 0.0027473 k( 161) = ( 0.2467329 0.2467329 0.5000000), wk = 0.0027473 k( 162) = ( 0.2379210 0.2379210 0.5000000), wk = 0.0027473 k( 163) = ( 0.2291091 0.2291091 0.5000000), wk = 0.0027473 k( 164) = ( 0.2202972 0.2202972 0.5000000), wk = 0.0027473 k( 165) = ( 0.2114853 0.2114853 0.5000000), wk = 0.0027473 k( 166) = ( 0.2026735 0.2026734 0.5000000), wk = 0.0027473 k( 167) = ( 0.1938616 0.1938616 0.5000000), wk = 0.0027473 k( 168) = ( 0.1850497 0.1850497 0.5000000), wk = 0.0027473 k( 169) = ( 0.1762378 0.1762378 0.5000000), wk = 0.0027473 k( 170) = ( 0.1674259 0.1674259 0.5000000), wk = 0.0027473 k( 171) = ( 0.1586140 0.1586140 0.5000000), wk = 0.0027473 k( 172) = ( 0.1498021 0.1498021 0.5000000), wk = 0.0027473 k( 173) = ( 0.1409902 0.1409902 0.5000000), wk = 0.0027473 k( 174) = ( 0.1321783 0.1321783 0.5000000), wk = 0.0027473 k( 175) = ( 0.1233665 0.1233664 0.5000000), wk = 0.0027473 k( 176) = ( 0.1145546 0.1145546 0.5000000), wk = 0.0027473 k( 177) = ( 0.1057427 0.1057427 0.5000000), wk = 0.0027473 k( 178) = ( 0.0969308 0.0969308 0.5000000), wk = 0.0027473 k( 179) = ( 0.0881189 0.0881189 0.5000000), wk = 0.0027473 k( 180) = ( 0.0793070 0.0793070 0.5000000), wk = 0.0027473 k( 181) = ( 0.0704951 0.0704951 0.5000000), wk = 0.0027473 k( 182) = ( 0.0616832 0.0616832 0.5000000), wk = 0.0027473 k( 183) = ( 0.0528713 0.0528713 0.5000000), wk = 0.0027473 k( 184) = ( 0.0440595 0.0440595 0.5000000), wk = 0.0027473 k( 185) = ( 0.0352476 0.0352476 0.5000000), wk = 0.0027473 k( 186) = ( 0.0264357 0.0264357 0.5000000), wk = 0.0027473 k( 187) = ( 0.0176238 0.0176238 0.5000000), wk = 0.0027473 k( 188) = ( 0.0088119 0.0088119 0.5000000), wk = 0.0027473 k( 189) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027473 k( 190) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027473 k( 191) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0027473 k( 192) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0027473 k( 193) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0027473 k( 194) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0027473 k( 195) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0027473 k( 196) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0027473 k( 197) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0027473 k( 198) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0027473 k( 199) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0027473 k( 200) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0027473 k( 201) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0027473 k( 202) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0027473 k( 203) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0027473 k( 204) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0027473 k( 205) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0027473 k( 206) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0027473 k( 207) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0027473 k( 208) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 209) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 210) = ( -0.0100000 0.0100000 -0.0000000), wk = 0.0027473 k( 211) = ( -0.0200000 0.0200000 -0.0000000), wk = 0.0027473 k( 212) = ( -0.0300000 0.0300000 -0.0000000), wk = 0.0027473 k( 213) = ( -0.0400000 0.0400000 -0.0000000), wk = 0.0027473 k( 214) = ( -0.0500000 0.0500000 -0.0000000), wk = 0.0027473 k( 215) = ( -0.0600000 0.0600000 -0.0000000), wk = 0.0027473 k( 216) = ( -0.0700000 0.0700000 -0.0000000), wk = 0.0027473 k( 217) = ( -0.0800000 0.0800000 -0.0000000), wk = 0.0027473 k( 218) = ( -0.0900000 0.0900000 -0.0000000), wk = 0.0027473 k( 219) = ( -0.1000000 0.1000000 -0.0000000), wk = 0.0027473 k( 220) = ( -0.1100000 0.1100000 -0.0000000), wk = 0.0027473 k( 221) = ( -0.1200000 0.1200000 -0.0000000), wk = 0.0027473 k( 222) = ( -0.1300000 0.1300000 -0.0000000), wk = 0.0027473 k( 223) = ( -0.1400000 0.1400000 -0.0000000), wk = 0.0027473 k( 224) = ( -0.1500000 0.1500000 -0.0000000), wk = 0.0027473 k( 225) = ( -0.1600000 0.1600000 -0.0000000), wk = 0.0027473 k( 226) = ( -0.1700000 0.1700000 -0.0000000), wk = 0.0027473 k( 227) = ( -0.1800000 0.1800000 -0.0000000), wk = 0.0027473 k( 228) = ( -0.1900000 0.1900000 -0.0000000), wk = 0.0027473 k( 229) = ( -0.2000000 0.2000000 -0.0000000), wk = 0.0027473 k( 230) = ( -0.2100000 0.2100000 -0.0000000), wk = 0.0027473 k( 231) = ( -0.2200000 0.2200000 -0.0000000), wk = 0.0027473 k( 232) = ( -0.2300000 0.2300000 -0.0000000), wk = 0.0027473 k( 233) = ( -0.2400000 0.2400000 -0.0000000), wk = 0.0027473 k( 234) = ( -0.2500000 0.2500000 -0.0000000), wk = 0.0027473 k( 235) = ( -0.2600000 0.2600000 -0.0000000), wk = 0.0027473 k( 236) = ( -0.2700000 0.2700000 -0.0000000), wk = 0.0027473 k( 237) = ( -0.2800000 0.2800000 -0.0000000), wk = 0.0027473 k( 238) = ( -0.2900000 0.2900000 -0.0000000), wk = 0.0027473 k( 239) = ( -0.3000000 0.3000000 -0.0000000), wk = 0.0027473 k( 240) = ( -0.3100000 0.3100000 -0.0000000), wk = 0.0027473 k( 241) = ( -0.3200000 0.3200000 -0.0000000), wk = 0.0027473 k( 242) = ( -0.3300000 0.3300000 -0.0000000), wk = 0.0027473 k( 243) = ( -0.3400000 0.3400000 -0.0000000), wk = 0.0027473 k( 244) = ( -0.3500000 0.3500000 -0.0000000), wk = 0.0027473 k( 245) = ( -0.3600000 0.3600000 -0.0000000), wk = 0.0027473 k( 246) = ( -0.3700000 0.3700000 -0.0000000), wk = 0.0027473 k( 247) = ( -0.3800000 0.3800000 -0.0000000), wk = 0.0027473 k( 248) = ( -0.3900000 0.3900000 -0.0000000), wk = 0.0027473 k( 249) = ( -0.4000000 0.4000000 -0.0000000), wk = 0.0027473 k( 250) = ( -0.4100000 0.4100000 -0.0000000), wk = 0.0027473 k( 251) = ( -0.4200000 0.4200000 -0.0000000), wk = 0.0027473 k( 252) = ( -0.4300000 0.4300000 -0.0000000), wk = 0.0027473 k( 253) = ( -0.4400000 0.4400000 -0.0000000), wk = 0.0027473 k( 254) = ( -0.4500000 0.4500000 -0.0000000), wk = 0.0027473 k( 255) = ( -0.4600000 0.4600000 -0.0000000), wk = 0.0027473 k( 256) = ( -0.4700000 0.4700000 -0.0000000), wk = 0.0027473 k( 257) = ( -0.4800000 0.4800000 -0.0000000), wk = 0.0027473 k( 258) = ( -0.4900000 0.4900000 -0.0000000), wk = 0.0027473 k( 259) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0027473 k( 260) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0027473 k( 261) = ( -0.4915135 0.5084865 -0.0000000), wk = 0.0027473 k( 262) = ( -0.4830270 0.5169730 -0.0000000), wk = 0.0027473 k( 263) = ( -0.4745405 0.5254595 -0.0000000), wk = 0.0027473 k( 264) = ( -0.4660540 0.5339460 -0.0000000), wk = 0.0027473 k( 265) = ( -0.4575675 0.5424325 -0.0000000), wk = 0.0027473 k( 266) = ( -0.4490810 0.5509190 -0.0000000), wk = 0.0027473 k( 267) = ( -0.4405945 0.5594055 -0.0000000), wk = 0.0027473 k( 268) = ( -0.4405945 0.5594055 -0.0000000), wk = 0.0027473 k( 269) = ( -0.4405945 0.5594055 0.0277778), wk = 0.0027473 k( 270) = ( -0.4405945 0.5594055 0.0555556), wk = 0.0027473 k( 271) = ( -0.4405945 0.5594055 0.0833333), wk = 0.0027473 k( 272) = ( -0.4405945 0.5594055 0.1111111), wk = 0.0027473 k( 273) = ( -0.4405945 0.5594055 0.1388889), wk = 0.0027473 k( 274) = ( -0.4405945 0.5594055 0.1666667), wk = 0.0027473 k( 275) = ( -0.4405945 0.5594055 0.1944444), wk = 0.0027473 k( 276) = ( -0.4405945 0.5594055 0.2222222), wk = 0.0027473 k( 277) = ( -0.4405945 0.5594055 0.2500000), wk = 0.0027473 k( 278) = ( -0.4405945 0.5594055 0.2777778), wk = 0.0027473 k( 279) = ( -0.4405945 0.5594055 0.3055556), wk = 0.0027473 k( 280) = ( -0.4405945 0.5594055 0.3333333), wk = 0.0027473 k( 281) = ( -0.4405945 0.5594055 0.3611111), wk = 0.0027473 k( 282) = ( -0.4405945 0.5594055 0.3888889), wk = 0.0027473 k( 283) = ( -0.4405945 0.5594055 0.4166667), wk = 0.0027473 k( 284) = ( -0.4405945 0.5594055 0.4444444), wk = 0.0027473 k( 285) = ( -0.4405945 0.5594055 0.4722222), wk = 0.0027473 k( 286) = ( -0.4405945 0.5594055 0.5000000), wk = 0.0027473 k( 287) = ( -0.4405945 0.5594055 0.5000000), wk = 0.0027473 k( 288) = ( -0.4490810 0.5509190 0.5000000), wk = 0.0027473 k( 289) = ( -0.4575675 0.5424325 0.5000000), wk = 0.0027473 k( 290) = ( -0.4660540 0.5339460 0.5000000), wk = 0.0027473 k( 291) = ( -0.4745405 0.5254595 0.5000000), wk = 0.0027473 k( 292) = ( -0.4830270 0.5169730 0.5000000), wk = 0.0027473 k( 293) = ( -0.4915135 0.5084865 0.5000000), wk = 0.0027473 k( 294) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0027473 k( 295) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0027473 k( 296) = ( -0.5000000 0.5000000 0.4722222), wk = 0.0027473 k( 297) = ( -0.5000000 0.5000000 0.4444444), wk = 0.0027473 k( 298) = ( -0.5000000 0.5000000 0.4166667), wk = 0.0027473 k( 299) = ( -0.5000000 0.5000000 0.3888889), wk = 0.0027473 k( 300) = ( -0.5000000 0.5000000 0.3611111), wk = 0.0027473 k( 301) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0027473 k( 302) = ( -0.5000000 0.5000000 0.3055556), wk = 0.0027473 k( 303) = ( -0.5000000 0.5000000 0.2777778), wk = 0.0027473 k( 304) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0027473 k( 305) = ( -0.5000000 0.5000000 0.2222222), wk = 0.0027473 k( 306) = ( -0.5000000 0.5000000 0.1944444), wk = 0.0027473 k( 307) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0027473 k( 308) = ( -0.5000000 0.5000000 0.1388889), wk = 0.0027473 k( 309) = ( -0.5000000 0.5000000 0.1111111), wk = 0.0027473 k( 310) = ( -0.5000000 0.5000000 0.0833333), wk = 0.0027473 k( 311) = ( -0.5000000 0.5000000 0.0555556), wk = 0.0027473 k( 312) = ( -0.5000000 0.5000000 0.0277778), wk = 0.0027473 k( 313) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0027473 k( 314) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027473 k( 315) = ( -0.0100000 0.0100000 0.5000000), wk = 0.0027473 k( 316) = ( -0.0200000 0.0200000 0.5000000), wk = 0.0027473 k( 317) = ( -0.0300000 0.0300000 0.5000000), wk = 0.0027473 k( 318) = ( -0.0400000 0.0400000 0.5000000), wk = 0.0027473 k( 319) = ( -0.0500000 0.0500000 0.5000000), wk = 0.0027473 k( 320) = ( -0.0600000 0.0600000 0.5000000), wk = 0.0027473 k( 321) = ( -0.0700000 0.0700000 0.5000000), wk = 0.0027473 k( 322) = ( -0.0800000 0.0800000 0.5000000), wk = 0.0027473 k( 323) = ( -0.0900000 0.0900000 0.5000000), wk = 0.0027473 k( 324) = ( -0.1000000 0.1000000 0.5000000), wk = 0.0027473 k( 325) = ( -0.1100000 0.1100000 0.5000000), wk = 0.0027473 k( 326) = ( -0.1200000 0.1200000 0.5000000), wk = 0.0027473 k( 327) = ( -0.1300000 0.1300000 0.5000000), wk = 0.0027473 k( 328) = ( -0.1400000 0.1400000 0.5000000), wk = 0.0027473 k( 329) = ( -0.1500000 0.1500000 0.5000000), wk = 0.0027473 k( 330) = ( -0.1600000 0.1600000 0.5000000), wk = 0.0027473 k( 331) = ( -0.1700000 0.1700000 0.5000000), wk = 0.0027473 k( 332) = ( -0.1800000 0.1800000 0.5000000), wk = 0.0027473 k( 333) = ( -0.1900000 0.1900000 0.5000000), wk = 0.0027473 k( 334) = ( -0.2000000 0.2000000 0.5000000), wk = 0.0027473 k( 335) = ( -0.2100000 0.2100000 0.5000000), wk = 0.0027473 k( 336) = ( -0.2200000 0.2200000 0.5000000), wk = 0.0027473 k( 337) = ( -0.2300000 0.2300000 0.5000000), wk = 0.0027473 k( 338) = ( -0.2400000 0.2400000 0.5000000), wk = 0.0027473 k( 339) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0027473 k( 340) = ( -0.2600000 0.2600000 0.5000000), wk = 0.0027473 k( 341) = ( -0.2700000 0.2700000 0.5000000), wk = 0.0027473 k( 342) = ( -0.2800000 0.2800000 0.5000000), wk = 0.0027473 k( 343) = ( -0.2900000 0.2900000 0.5000000), wk = 0.0027473 k( 344) = ( -0.3000000 0.3000000 0.5000000), wk = 0.0027473 k( 345) = ( -0.3100000 0.3100000 0.5000000), wk = 0.0027473 k( 346) = ( -0.3200000 0.3200000 0.5000000), wk = 0.0027473 k( 347) = ( -0.3300000 0.3300000 0.5000000), wk = 0.0027473 k( 348) = ( -0.3400000 0.3400000 0.5000000), wk = 0.0027473 k( 349) = ( -0.3500000 0.3500000 0.5000000), wk = 0.0027473 k( 350) = ( -0.3600000 0.3600000 0.5000000), wk = 0.0027473 k( 351) = ( -0.3700000 0.3700000 0.5000000), wk = 0.0027473 k( 352) = ( -0.3800000 0.3800000 0.5000000), wk = 0.0027473 k( 353) = ( -0.3900000 0.3900000 0.5000000), wk = 0.0027473 k( 354) = ( -0.4000000 0.4000000 0.5000000), wk = 0.0027473 k( 355) = ( -0.4100000 0.4100000 0.5000000), wk = 0.0027473 k( 356) = ( -0.4200000 0.4200000 0.5000000), wk = 0.0027473 k( 357) = ( -0.4300000 0.4300000 0.5000000), wk = 0.0027473 k( 358) = ( -0.4400000 0.4400000 0.5000000), wk = 0.0027473 k( 359) = ( -0.4500000 0.4500000 0.5000000), wk = 0.0027473 k( 360) = ( -0.4600000 0.4600000 0.5000000), wk = 0.0027473 k( 361) = ( -0.4700000 0.4700000 0.5000000), wk = 0.0027473 k( 362) = ( -0.4800000 0.4800000 0.5000000), wk = 0.0027473 k( 363) = ( -0.4900000 0.4900000 0.5000000), wk = 0.0027473 k( 364) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0027473 Dense grid: 107673 G-vectors FFT dimensions: ( 48, 48, 100) Smooth grid: 38381 G-vectors FFT dimensions: ( 36, 36, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 304, 40) NL pseudopotentials 0.38 Mb ( 152, 164) Each V/rho on FFT grid 0.11 Mb ( 6912) Each G-vector array 0.02 Mb ( 2985) G-vector shells 0.01 Mb ( 1515) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.74 Mb ( 304, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.20 Mb ( 164, 2, 40) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./CS2.save/charge-density.dat Starting wfc are 48 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.8 secs Computing kpt #: 2 total cpu time spent up to now is 2.3 secs Computing kpt #: 3 total cpu time spent up to now is 2.6 secs Computing kpt #: 4 total cpu time spent up to now is 2.9 secs Computing kpt #: 5 total cpu time spent up to now is 3.2 secs Computing kpt #: 6 total cpu time spent up to now is 3.6 secs Computing kpt #: 7 total cpu time spent up to now is 3.9 secs Computing kpt #: 8 total cpu time spent up to now is 4.2 secs Computing kpt #: 9 total cpu time spent up to now is 4.6 secs Computing kpt #: 10 total cpu time spent up to now is 4.9 secs Computing kpt #: 11 total cpu time spent up to now is 5.2 secs Computing kpt #: 12 total cpu time spent up to now is 5.6 secs Computing kpt #: 13 total cpu time spent up to now is 6.1 secs Computing kpt #: 14 total cpu time spent up to now is 6.4 secs Computing kpt #: 15 total cpu time spent up to now is 6.9 secs Computing kpt #: 16 total cpu time spent up to now is 7.2 secs Computing kpt #: 17 total cpu time spent up to now is 7.6 secs Computing kpt #: 18 total cpu time spent up to now is 8.1 secs Computing kpt #: 19 total cpu time spent up to now is 8.6 secs Computing kpt #: 20 total cpu time spent up to now is 9.1 secs Computing kpt #: 21 total cpu time spent up to now is 9.6 secs Computing kpt #: 22 total cpu time spent up to now is 10.1 secs Computing kpt #: 23 total cpu time spent up to now is 10.6 secs Computing kpt #: 24 total cpu time spent up to now is 10.9 secs Computing kpt #: 25 total cpu time spent up to now is 11.5 secs Computing kpt #: 26 total cpu time spent up to now is 12.0 secs Computing kpt #: 27 total cpu time spent up to now is 12.4 secs Computing kpt #: 28 total cpu time spent up to now is 12.8 secs Computing kpt #: 29 total cpu time spent up to now is 13.2 secs Computing kpt #: 30 total cpu time spent up to now is 13.6 secs Computing kpt #: 31 total cpu time spent up to now is 14.0 secs Computing kpt #: 32 total cpu time spent up to now is 14.5 secs Computing kpt #: 33 total cpu time spent up to now is 15.0 secs Computing kpt #: 34 total cpu time spent up to now is 15.5 secs Computing kpt #: 35 total cpu time spent up to now is 16.0 secs Computing kpt #: 36 total cpu time spent up to now is 16.4 secs Computing kpt #: 37 total cpu time spent up to now is 16.8 secs Computing kpt #: 38 total cpu time spent up to now is 17.1 secs Computing kpt #: 39 total cpu time spent up to now is 17.4 secs Computing kpt #: 40 total cpu time spent up to now is 17.8 secs Computing kpt #: 41 total cpu time spent up to now is 18.1 secs Computing kpt #: 42 total cpu time spent up to now is 18.4 secs Computing kpt #: 43 total cpu time spent up to now is 18.8 secs Computing kpt #: 44 total cpu time spent up to now is 19.1 secs Computing kpt #: 45 total cpu time spent up to now is 19.4 secs Computing kpt #: 46 total cpu time spent up to now is 19.7 secs Computing kpt #: 47 total cpu time spent up to now is 20.0 secs Computing kpt #: 48 total cpu time spent up to now is 20.3 secs Computing kpt #: 49 total cpu time spent up to now is 20.6 secs Computing kpt #: 50 total cpu time spent up to now is 20.9 secs Computing kpt #: 51 total cpu time spent up to now is 21.2 secs Computing kpt #: 52 total cpu time spent up to now is 21.6 secs Computing kpt #: 53 total cpu time spent up to now is 21.9 secs Computing kpt #: 54 total cpu time spent up to now is 22.2 secs Computing kpt #: 55 total cpu time spent up to now is 22.5 secs Computing kpt #: 56 total cpu time spent up to now is 22.8 secs Computing kpt #: 57 total cpu time spent up to now is 23.1 secs Computing kpt #: 58 total cpu time spent up to now is 23.4 secs Computing kpt #: 59 total cpu time spent up to now is 23.7 secs Computing kpt #: 60 total cpu time spent up to now is 24.1 secs Computing kpt #: 61 total cpu time spent up to now is 24.4 secs Computing kpt #: 62 total cpu time spent up to now is 24.7 secs Computing kpt #: 63 total cpu time spent up to now is 25.0 secs Computing kpt #: 64 total cpu time spent up to now is 25.4 secs Computing kpt #: 65 total cpu time spent up to now is 25.7 secs Computing kpt #: 66 total cpu time spent up to now is 26.0 secs Computing kpt #: 67 total cpu time spent up to now is 26.3 secs Computing kpt #: 68 total cpu time spent up to now is 26.7 secs Computing kpt #: 69 total cpu time spent up to now is 27.0 secs Computing kpt #: 70 total cpu time spent up to now is 27.3 secs Computing kpt #: 71 total cpu time spent up to now is 27.7 secs Computing kpt #: 72 total cpu time spent up to now is 28.0 secs Computing kpt #: 73 total cpu time spent up to now is 28.3 secs Computing kpt #: 74 total cpu time spent up to now is 28.6 secs Computing kpt #: 75 total cpu time spent up to now is 29.0 secs Computing kpt #: 76 total cpu time spent up to now is 29.4 secs Computing kpt #: 77 total cpu time spent up to now is 29.8 secs Computing kpt #: 78 total cpu time spent up to now is 30.2 secs Computing kpt #: 79 total cpu time spent up to now is 30.5 secs Computing kpt #: 80 total cpu time spent up to now is 30.9 secs Computing kpt #: 81 total cpu time spent up to now is 31.2 secs Computing kpt #: 82 total cpu time spent up to now is 31.5 secs Computing kpt #: 83 total cpu time spent up to now is 31.9 secs Computing kpt #: 84 total cpu time spent up to now is 32.2 secs Computing kpt #: 85 total cpu time spent up to now is 32.6 secs Computing kpt #: 86 total cpu time spent up to now is 32.9 secs Computing kpt #: 87 total cpu time spent up to now is 33.3 secs Computing kpt #: 88 total cpu time spent up to now is 33.6 secs Computing kpt #: 89 total cpu time spent up to now is 33.9 secs Computing kpt #: 90 total cpu time spent up to now is 34.2 secs Computing kpt #: 91 total cpu time spent up to now is 34.5 secs Computing kpt #: 92 total cpu time spent up to now is 34.9 secs Computing kpt #: 93 total cpu time spent up to now is 35.3 secs Computing kpt #: 94 total cpu time spent up to now is 35.7 secs Computing kpt #: 95 total cpu time spent up to now is 36.3 secs Computing kpt #: 96 total cpu time spent up to now is 36.6 secs Computing kpt #: 97 total cpu time spent up to now is 37.0 secs Computing kpt #: 98 total cpu time spent up to now is 37.3 secs Computing kpt #: 99 total cpu time spent up to now is 37.6 secs Computing kpt #: 100 total cpu time spent up to now is 37.9 secs Computing kpt #: 101 total cpu time spent up to now is 38.2 secs Computing kpt #: 102 total cpu time spent up to now is 38.5 secs Computing kpt #: 103 total cpu time spent up to now is 38.9 secs Computing kpt #: 104 total cpu time spent up to now is 39.2 secs Computing kpt #: 105 total cpu time spent up to now is 39.5 secs Computing kpt #: 106 total cpu time spent up to now is 39.8 secs Computing kpt #: 107 total cpu time spent up to now is 40.1 secs Computing kpt #: 108 total cpu time spent up to now is 40.4 secs Computing kpt #: 109 total cpu time spent up to now is 40.8 secs Computing kpt #: 110 total cpu time spent up to now is 41.1 secs Computing kpt #: 111 total cpu time spent up to now is 41.4 secs Computing kpt #: 112 total cpu time spent up to now is 41.7 secs Computing kpt #: 113 total cpu time spent up to now is 42.0 secs Computing kpt #: 114 total cpu time spent up to now is 42.3 secs Computing kpt #: 115 total cpu time spent up to now is 42.7 secs Computing kpt #: 116 total cpu time spent up to now is 43.0 secs Computing kpt #: 117 total cpu time spent up to now is 43.4 secs Computing kpt #: 118 total cpu time spent up to now is 43.7 secs Computing kpt #: 119 total cpu time spent up to now is 44.0 secs Computing kpt #: 120 total cpu time spent up to now is 44.3 secs Computing kpt #: 121 total cpu time spent up to now is 44.6 secs Computing kpt #: 122 total cpu time spent up to now is 45.0 secs Computing kpt #: 123 total cpu time spent up to now is 45.3 secs Computing kpt #: 124 total cpu time spent up to now is 45.6 secs Computing kpt #: 125 total cpu time spent up to now is 45.9 secs Computing kpt #: 126 total cpu time spent up to now is 46.2 secs Computing kpt #: 127 total cpu time spent up to now is 46.5 secs Computing kpt #: 128 total cpu time spent up to now is 46.9 secs Computing kpt #: 129 total cpu time spent up to now is 47.2 secs Computing kpt #: 130 total cpu time spent up to now is 47.5 secs Computing kpt #: 131 total cpu time spent up to now is 47.8 secs Computing kpt #: 132 total cpu time spent up to now is 48.1 secs Computing kpt #: 133 total cpu time spent up to now is 48.4 secs Computing kpt #: 134 total cpu time spent up to now is 48.8 secs Computing kpt #: 135 total cpu time spent up to now is 49.1 secs Computing kpt #: 136 total cpu time spent up to now is 49.4 secs Computing kpt #: 137 total cpu time spent up to now is 49.7 secs Computing kpt #: 138 total cpu time spent up to now is 50.0 secs Computing kpt #: 139 total cpu time spent up to now is 50.3 secs Computing kpt #: 140 total cpu time spent up to now is 50.6 secs Computing kpt #: 141 total cpu time spent up to now is 50.9 secs Computing kpt #: 142 total cpu time spent up to now is 51.3 secs Computing kpt #: 143 total cpu time spent up to now is 51.6 secs Computing kpt #: 144 total cpu time spent up to now is 51.9 secs Computing kpt #: 145 total cpu time spent up to now is 52.2 secs Computing kpt #: 146 total cpu time spent up to now is 52.5 secs Computing kpt #: 147 total cpu time spent up to now is 52.8 secs Computing kpt #: 148 total cpu time spent up to now is 53.2 secs Computing kpt #: 149 total cpu time spent up to now is 53.5 secs Computing kpt #: 150 total cpu time spent up to now is 53.8 secs Computing kpt #: 151 total cpu time spent up to now is 54.1 secs Computing kpt #: 152 total cpu time spent up to now is 54.4 secs Computing kpt #: 153 total cpu time spent up to now is 54.8 secs Computing kpt #: 154 total cpu time spent up to now is 55.1 secs Computing kpt #: 155 total cpu time spent up to now is 55.4 secs Computing kpt #: 156 total cpu time spent up to now is 55.7 secs Computing kpt #: 157 total cpu time spent up to now is 56.1 secs Computing kpt #: 158 total cpu time spent up to now is 56.4 secs Computing kpt #: 159 total cpu time spent up to now is 56.8 secs Computing kpt #: 160 total cpu time spent up to now is 57.3 secs Computing kpt #: 161 total cpu time spent up to now is 57.7 secs Computing kpt #: 162 total cpu time spent up to now is 58.2 secs Computing kpt #: 163 total cpu time spent up to now is 58.7 secs Computing kpt #: 164 total cpu time spent up to now is 59.3 secs Computing kpt #: 165 total cpu time spent up to now is 59.8 secs Computing kpt #: 166 total cpu time spent up to now is 60.2 secs Computing kpt #: 167 total cpu time spent up to now is 60.6 secs Computing kpt #: 168 total cpu time spent up to now is 61.1 secs Computing kpt #: 169 total cpu time spent up to now is 61.4 secs Computing kpt #: 170 total cpu time spent up to now is 61.9 secs Computing kpt #: 171 total cpu time spent up to now is 62.3 secs Computing kpt #: 172 total cpu time spent up to now is 62.7 secs Computing kpt #: 173 total cpu time spent up to now is 63.1 secs Computing kpt #: 174 total cpu time spent up to now is 63.5 secs Computing kpt #: 175 total cpu time spent up to now is 63.9 secs Computing kpt #: 176 total cpu time spent up to now is 64.4 secs Computing kpt #: 177 total cpu time spent up to now is 64.7 secs Computing kpt #: 178 total cpu time spent up to now is 65.1 secs Computing kpt #: 179 total cpu time spent up to now is 65.4 secs Computing kpt #: 180 total cpu time spent up to now is 65.8 secs Computing kpt #: 181 total cpu time spent up to now is 66.1 secs Computing kpt #: 182 total cpu time spent up to now is 66.5 secs Computing kpt #: 183 total cpu time spent up to now is 66.8 secs Computing kpt #: 184 total cpu time spent up to now is 67.2 secs Computing kpt #: 185 total cpu time spent up to now is 67.5 secs Computing kpt #: 186 total cpu time spent up to now is 67.9 secs Computing kpt #: 187 total cpu time spent up to now is 68.2 secs Computing kpt #: 188 total cpu time spent up to now is 68.6 secs Computing kpt #: 189 total cpu time spent up to now is 68.9 secs Computing kpt #: 190 total cpu time spent up to now is 69.3 secs Computing kpt #: 191 total cpu time spent up to now is 69.6 secs Computing kpt #: 192 total cpu time spent up to now is 70.0 secs Computing kpt #: 193 total cpu time spent up to now is 70.3 secs Computing kpt #: 194 total cpu time spent up to now is 70.7 secs Computing kpt #: 195 total cpu time spent up to now is 71.1 secs Computing kpt #: 196 total cpu time spent up to now is 71.5 secs Computing kpt #: 197 total cpu time spent up to now is 71.9 secs Computing kpt #: 198 total cpu time spent up to now is 72.2 secs Computing kpt #: 199 total cpu time spent up to now is 72.6 secs Computing kpt #: 200 total cpu time spent up to now is 72.9 secs Computing kpt #: 201 total cpu time spent up to now is 73.2 secs Computing kpt #: 202 total cpu time spent up to now is 73.6 secs Computing kpt #: 203 total cpu time spent up to now is 73.9 secs Computing kpt #: 204 total cpu time spent up to now is 74.2 secs Computing kpt #: 205 total cpu time spent up to now is 74.6 secs Computing kpt #: 206 total cpu time spent up to now is 74.9 secs Computing kpt #: 207 total cpu time spent up to now is 75.2 secs Computing kpt #: 208 total cpu time spent up to now is 75.5 secs Computing kpt #: 209 total cpu time spent up to now is 75.8 secs Computing kpt #: 210 total cpu time spent up to now is 76.2 secs Computing kpt #: 211 total cpu time spent up to now is 76.5 secs Computing kpt #: 212 total cpu time spent up to now is 76.8 secs Computing kpt #: 213 total cpu time spent up to now is 77.2 secs Computing kpt #: 214 total cpu time spent up to now is 77.5 secs Computing kpt #: 215 total cpu time spent up to now is 77.8 secs Computing kpt #: 216 total cpu time spent up to now is 78.2 secs Computing kpt #: 217 total cpu time spent up to now is 78.5 secs Computing kpt #: 218 total cpu time spent up to now is 78.8 secs Computing kpt #: 219 total cpu time spent up to now is 79.2 secs Computing kpt #: 220 total cpu time spent up to now is 79.5 secs Computing kpt #: 221 total cpu time spent up to now is 79.9 secs Computing kpt #: 222 total cpu time spent up to now is 80.2 secs Computing kpt #: 223 total cpu time spent up to now is 80.5 secs Computing kpt #: 224 total cpu time spent up to now is 80.9 secs Computing kpt #: 225 total cpu time spent up to now is 81.3 secs Computing kpt #: 226 total cpu time spent up to now is 81.8 secs Computing kpt #: 227 total cpu time spent up to now is 82.1 secs Computing kpt #: 228 total cpu time spent up to now is 82.4 secs Computing kpt #: 229 total cpu time spent up to now is 82.8 secs Computing kpt #: 230 total cpu time spent up to now is 83.1 secs Computing kpt #: 231 total cpu time spent up to now is 83.4 secs Computing kpt #: 232 total cpu time spent up to now is 83.8 secs Computing kpt #: 233 total cpu time spent up to now is 84.1 secs Computing kpt #: 234 total cpu time spent up to now is 84.4 secs Computing kpt #: 235 total cpu time spent up to now is 84.7 secs Computing kpt #: 236 total cpu time spent up to now is 85.1 secs Computing kpt #: 237 total cpu time spent up to now is 85.4 secs Computing kpt #: 238 total cpu time spent up to now is 85.8 secs Computing kpt #: 239 total cpu time spent up to now is 86.1 secs Computing kpt #: 240 total cpu time spent up to now is 86.4 secs Computing kpt #: 241 total cpu time spent up to now is 86.7 secs Computing kpt #: 242 total cpu time spent up to now is 87.3 secs Computing kpt #: 243 total cpu time spent up to now is 87.8 secs Computing kpt #: 244 total cpu time spent up to now is 88.1 secs Computing kpt #: 245 total cpu time spent up to now is 88.4 secs Computing kpt #: 246 total cpu time spent up to now is 88.7 secs Computing kpt #: 247 total cpu time spent up to now is 89.1 secs Computing kpt #: 248 total cpu time spent up to now is 89.4 secs Computing kpt #: 249 total cpu time spent up to now is 89.7 secs Computing kpt #: 250 total cpu time spent up to now is 90.0 secs Computing kpt #: 251 total cpu time spent up to now is 90.3 secs Computing kpt #: 252 total cpu time spent up to now is 90.7 secs Computing kpt #: 253 total cpu time spent up to now is 91.0 secs Computing kpt #: 254 total cpu time spent up to now is 91.3 secs Computing kpt #: 255 total cpu time spent up to now is 91.6 secs Computing kpt #: 256 total cpu time spent up to now is 91.9 secs Computing kpt #: 257 total cpu time spent up to now is 92.2 secs Computing kpt #: 258 total cpu time spent up to now is 92.5 secs Computing kpt #: 259 total cpu time spent up to now is 92.8 secs Computing kpt #: 260 total cpu time spent up to now is 93.1 secs Computing kpt #: 261 total cpu time spent up to now is 93.4 secs Computing kpt #: 262 total cpu time spent up to now is 93.7 secs Computing kpt #: 263 total cpu time spent up to now is 94.0 secs Computing kpt #: 264 total cpu time spent up to now is 94.3 secs Computing kpt #: 265 total cpu time spent up to now is 94.6 secs Computing kpt #: 266 total cpu time spent up to now is 94.9 secs Computing kpt #: 267 total cpu time spent up to now is 95.2 secs Computing kpt #: 268 total cpu time spent up to now is 95.6 secs Computing kpt #: 269 total cpu time spent up to now is 95.9 secs Computing kpt #: 270 total cpu time spent up to now is 96.2 secs Computing kpt #: 271 total cpu time spent up to now is 96.5 secs Computing kpt #: 272 total cpu time spent up to now is 96.8 secs Computing kpt #: 273 total cpu time spent up to now is 97.1 secs Computing kpt #: 274 total cpu time spent up to now is 97.4 secs Computing kpt #: 275 total cpu time spent up to now is 97.7 secs Computing kpt #: 276 total cpu time spent up to now is 98.0 secs Computing kpt #: 277 total cpu time spent up to now is 98.4 secs Computing kpt #: 278 total cpu time spent up to now is 98.7 secs Computing kpt #: 279 total cpu time spent up to now is 99.0 secs Computing kpt #: 280 total cpu time spent up to now is 99.3 secs Computing kpt #: 281 total cpu time spent up to now is 99.7 secs Computing kpt #: 282 total cpu time spent up to now is 100.0 secs Computing kpt #: 283 total cpu time spent up to now is 100.4 secs Computing kpt #: 284 total cpu time spent up to now is 100.7 secs Computing kpt #: 285 total cpu time spent up to now is 101.0 secs Computing kpt #: 286 total cpu time spent up to now is 101.3 secs Computing kpt #: 287 total cpu time spent up to now is 101.6 secs Computing kpt #: 288 total cpu time spent up to now is 101.9 secs Computing kpt #: 289 total cpu time spent up to now is 102.3 secs Computing kpt #: 290 total cpu time spent up to now is 102.6 secs Computing kpt #: 291 total cpu time spent up to now is 102.9 secs Computing kpt #: 292 total cpu time spent up to now is 103.2 secs Computing kpt #: 293 total cpu time spent up to now is 103.5 secs Computing kpt #: 294 total cpu time spent up to now is 103.9 secs Computing kpt #: 295 total cpu time spent up to now is 104.2 secs Computing kpt #: 296 total cpu time spent up to now is 104.5 secs Computing kpt #: 297 total cpu time spent up to now is 104.8 secs Computing kpt #: 298 total cpu time spent up to now is 105.1 secs Computing kpt #: 299 total cpu time spent up to now is 105.5 secs Computing kpt #: 300 total cpu time spent up to now is 105.8 secs Computing kpt #: 301 total cpu time spent up to now is 106.3 secs Computing kpt #: 302 total cpu time spent up to now is 106.6 secs Computing kpt #: 303 total cpu time spent up to now is 106.9 secs Computing kpt #: 304 total cpu time spent up to now is 107.2 secs Computing kpt #: 305 total cpu time spent up to now is 107.5 secs Computing kpt #: 306 total cpu time spent up to now is 107.8 secs Computing kpt #: 307 total cpu time spent up to now is 108.1 secs Computing kpt #: 308 total cpu time spent up to now is 108.4 secs Computing kpt #: 309 total cpu time spent up to now is 108.7 secs Computing kpt #: 310 total cpu time spent up to now is 109.0 secs Computing kpt #: 311 total cpu time spent up to now is 109.4 secs Computing kpt #: 312 total cpu time spent up to now is 109.6 secs Computing kpt #: 313 total cpu time spent up to now is 109.9 secs Computing kpt #: 314 total cpu time spent up to now is 110.3 secs Computing kpt #: 315 total cpu time spent up to now is 110.6 secs Computing kpt #: 316 total cpu time spent up to now is 111.0 secs Computing kpt #: 317 total cpu time spent up to now is 111.3 secs Computing kpt #: 318 total cpu time spent up to now is 111.6 secs Computing kpt #: 319 total cpu time spent up to now is 112.0 secs Computing kpt #: 320 total cpu time spent up to now is 112.3 secs Computing kpt #: 321 total cpu time spent up to now is 112.7 secs Computing kpt #: 322 total cpu time spent up to now is 113.2 secs Computing kpt #: 323 total cpu time spent up to now is 113.6 secs Computing kpt #: 324 total cpu time spent up to now is 114.0 secs Computing kpt #: 325 total cpu time spent up to now is 114.5 secs Computing kpt #: 326 total cpu time spent up to now is 114.9 secs Computing kpt #: 327 total cpu time spent up to now is 115.4 secs Computing kpt #: 328 total cpu time spent up to now is 115.8 secs Computing kpt #: 329 total cpu time spent up to now is 116.2 secs Computing kpt #: 330 total cpu time spent up to now is 116.6 secs Computing kpt #: 331 total cpu time spent up to now is 117.1 secs Computing kpt #: 332 total cpu time spent up to now is 117.5 secs Computing kpt #: 333 total cpu time spent up to now is 117.9 secs Computing kpt #: 334 total cpu time spent up to now is 118.4 secs Computing kpt #: 335 total cpu time spent up to now is 118.8 secs Computing kpt #: 336 total cpu time spent up to now is 119.2 secs Computing kpt #: 337 total cpu time spent up to now is 119.7 secs Computing kpt #: 338 total cpu time spent up to now is 120.1 secs Computing kpt #: 339 total cpu time spent up to now is 120.6 secs Computing kpt #: 340 total cpu time spent up to now is 120.9 secs Computing kpt #: 341 total cpu time spent up to now is 121.3 secs Computing kpt #: 342 total cpu time spent up to now is 121.6 secs Computing kpt #: 343 total cpu time spent up to now is 121.9 secs Computing kpt #: 344 total cpu time spent up to now is 122.3 secs Computing kpt #: 345 total cpu time spent up to now is 122.6 secs Computing kpt #: 346 total cpu time spent up to now is 122.9 secs Computing kpt #: 347 total cpu time spent up to now is 123.2 secs Computing kpt #: 348 total cpu time spent up to now is 123.5 secs Computing kpt #: 349 total cpu time spent up to now is 123.9 secs Computing kpt #: 350 total cpu time spent up to now is 124.2 secs Computing kpt #: 351 total cpu time spent up to now is 124.5 secs Computing kpt #: 352 total cpu time spent up to now is 124.8 secs Computing kpt #: 353 total cpu time spent up to now is 125.1 secs Computing kpt #: 354 total cpu time spent up to now is 125.4 secs Computing kpt #: 355 total cpu time spent up to now is 125.8 secs Computing kpt #: 356 total cpu time spent up to now is 126.1 secs Computing kpt #: 357 total cpu time spent up to now is 126.4 secs Computing kpt #: 358 total cpu time spent up to now is 126.7 secs Computing kpt #: 359 total cpu time spent up to now is 127.1 secs Computing kpt #: 360 total cpu time spent up to now is 127.4 secs Computing kpt #: 361 total cpu time spent up to now is 127.7 secs Computing kpt #: 362 total cpu time spent up to now is 128.0 secs Computing kpt #: 363 total cpu time spent up to now is 128.3 secs Computing kpt #: 364 total cpu time spent up to now is 128.7 secs ethr = 3.13E-08, avg # of iterations = 18.7 total cpu time spent up to now is 128.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4809 PWs) bands (ev): -12.2353 -12.2353 -11.8459 -11.8459 -10.9186 -10.9186 -10.4552 -10.4552 -6.7948 -6.7948 -6.7482 -6.7482 -3.0938 -3.0938 -2.8449 -2.8449 -0.8359 -0.8359 -0.7833 -0.7833 -0.5138 -0.5138 -0.0298 -0.0298 -0.0017 -0.0017 0.0255 0.0255 0.1418 0.1418 0.5223 0.5223 1.4347 1.4347 1.8877 1.8877 2.0569 2.0569 2.3681 2.3681 k = 0.0088 0.0101-0.0000 ( 4809 PWs) bands (ev): -12.2345 -12.2345 -11.8454 -11.8454 -10.9188 -10.9188 -10.4562 -10.4562 -6.7945 -6.7945 -6.7486 -6.7486 -3.0930 -3.0930 -2.8458 -2.8458 -0.8388 -0.8388 -0.7855 -0.7855 -0.5119 -0.5119 -0.0292 -0.0292 -0.0164 -0.0164 0.0399 0.0399 0.1392 0.1392 0.5223 0.5223 1.4379 1.4379 1.8902 1.8902 2.0549 2.0549 2.3698 2.3698 k = 0.0176 0.0202-0.0000 ( 4803 PWs) bands (ev): -12.2323 -12.2323 -11.8438 -11.8438 -10.9194 -10.9194 -10.4593 -10.4593 -6.7934 -6.7934 -6.7497 -6.7497 -3.0906 -3.0906 -2.8484 -2.8484 -0.8476 -0.8476 -0.7920 -0.7920 -0.5060 -0.5060 -0.0550 -0.0550 -0.0090 -0.0090 0.0593 0.0593 0.1316 0.1316 0.5222 0.5222 1.4473 1.4473 1.8976 1.8976 2.0493 2.0493 2.3750 2.3750 k = 0.0264 0.0303-0.0000 ( 4795 PWs) bands (ev): -12.2285 -12.2285 -11.8413 -11.8413 -10.9205 -10.9205 -10.4645 -10.4645 -6.7916 -6.7916 -6.7515 -6.7515 -3.0867 -3.0867 -2.8526 -2.8526 -0.8623 -0.8623 -0.8023 -0.8023 -0.4960 -0.4960 -0.0917 -0.0917 0.0125 0.0125 0.0761 0.0761 0.1190 0.1190 0.5220 0.5220 1.4627 1.4627 1.9097 1.9097 2.0404 2.0404 2.3834 2.3834 k = 0.0352 0.0404-0.0000 ( 4787 PWs) bands (ev): -12.2232 -12.2232 -11.8377 -11.8377 -10.9219 -10.9219 -10.4717 -10.4717 -6.7892 -6.7892 -6.7541 -6.7541 -3.0812 -3.0812 -2.8584 -2.8584 -0.8830 -0.8830 -0.8157 -0.8157 -0.4818 -0.4818 -0.1330 -0.1330 0.0411 0.0411 0.0899 0.0899 0.1022 0.1022 0.5221 0.5221 1.4835 1.4835 1.9261 1.9261 2.0289 2.0289 2.3946 2.3946 k = 0.0441 0.0505-0.0000 ( 4781 PWs) bands (ev): -12.2165 -12.2165 -11.8332 -11.8332 -10.9238 -10.9238 -10.4808 -10.4808 -6.7863 -6.7863 -6.7574 -6.7574 -3.0743 -3.0743 -2.8654 -2.8654 -0.9093 -0.9093 -0.8316 -0.8316 -0.4634 -0.4634 -0.1783 -0.1783 0.0690 0.0690 0.0840 0.0840 0.1052 0.1052 0.5225 0.5225 1.5092 1.5092 1.9460 1.9460 2.0158 2.0158 2.4081 2.4081 k = 0.0529 0.0606-0.0000 ( 4773 PWs) bands (ev): -12.2082 -12.2082 -11.8277 -11.8277 -10.9261 -10.9261 -10.4918 -10.4918 -6.7828 -6.7828 -6.7612 -6.7612 -3.0661 -3.0661 -2.8735 -2.8735 -0.9410 -0.9410 -0.8496 -0.8496 -0.4407 -0.4407 -0.2269 -0.2269 0.0503 0.0503 0.0979 0.0979 0.1339 0.1339 0.5234 0.5234 1.5391 1.5391 1.9671 1.9671 2.0040 2.0040 2.4232 2.4232 k = 0.0617 0.0706-0.0000 ( 4773 PWs) bands (ev): -12.1985 -12.1985 -11.8212 -11.8212 -10.9288 -10.9288 -10.5046 -10.5046 -6.7790 -6.7790 -6.7657 -6.7657 -3.0568 -3.0568 -2.8825 -2.8825 -0.9774 -0.9774 -0.8693 -0.8693 -0.4138 -0.4138 -0.2784 -0.2784 0.0200 0.0200 0.1051 0.1051 0.1797 0.1797 0.5249 0.5249 1.5726 1.5726 1.9740 1.9740 2.0088 2.0088 2.4392 2.4392 k = 0.0705 0.0807-0.0000 ( 4767 PWs) bands (ev): -12.1874 -12.1874 -11.8138 -11.8138 -10.9319 -10.9319 -10.5191 -10.5191 -6.7749 -6.7749 -6.7707 -6.7707 -3.0463 -3.0463 -2.8920 -2.8920 -1.0179 -1.0179 -0.8903 -0.8903 -0.3836 -0.3836 -0.3315 -0.3315 -0.0144 -0.0144 0.1079 0.1079 0.2326 0.2326 0.5270 0.5270 1.6089 1.6089 1.9622 1.9622 2.0350 2.0350 2.4555 2.4555 k = 0.0793 0.0908-0.0000 ( 4753 PWs) bands (ev): -12.1748 -12.1748 -11.8055 -11.8055 -10.9353 -10.9353 -10.5351 -10.5351 -6.7761 -6.7761 -6.7705 -6.7705 -3.0351 -3.0351 -2.9017 -2.9017 -1.0619 -1.0619 -0.9125 -0.9125 -0.3924 -0.3924 -0.3438 -0.3438 -0.0522 -0.0522 0.1081 0.1081 0.2901 0.2901 0.5299 0.5299 1.6475 1.6475 1.9476 1.9476 2.0670 2.0670 2.4712 2.4712 k = 0.0881 0.1009-0.0000 ( 4757 PWs) bands (ev): -12.1609 -12.1609 -11.7964 -11.7964 -10.9391 -10.9391 -10.5526 -10.5526 -6.7820 -6.7820 -6.7661 -6.7661 -3.0231 -3.0231 -2.9115 -2.9115 -1.1087 -1.1087 -0.9356 -0.9356 -0.4494 -0.4494 -0.3057 -0.3057 -0.0928 -0.0928 0.1061 0.1061 0.3510 0.3510 0.5337 0.5337 1.6878 1.6878 1.9331 1.9331 2.1014 2.1014 2.4856 2.4856 k = 0.0969 0.1110-0.0000 ( 4765 PWs) bands (ev): -12.1455 -12.1455 -11.7865 -11.7865 -10.9433 -10.9433 -10.5715 -10.5715 -6.7882 -6.7882 -6.7618 -6.7618 -3.0108 -3.0108 -2.9209 -2.9209 -1.1574 -1.1574 -0.9597 -0.9597 -0.5092 -0.5092 -0.2627 -0.2627 -0.1360 -0.1360 0.1024 0.1024 0.4143 0.4143 0.5385 0.5385 1.7293 1.7293 1.9197 1.9197 2.1377 2.1377 2.4980 2.4980 k = 0.1057 0.1211-0.0000 ( 4773 PWs) bands (ev): -12.1289 -12.1289 -11.7758 -11.7758 -10.9479 -10.9479 -10.5915 -10.5915 -6.7946 -6.7946 -6.7577 -6.7577 -2.9983 -2.9983 -2.9297 -2.9297 -1.2075 -1.2075 -0.9846 -0.9846 -0.5702 -0.5702 -0.2159 -0.2159 -0.1811 -0.1811 0.0972 0.0972 0.4780 0.4780 0.5456 0.5456 1.7715 1.7715 1.9077 1.9077 2.1752 2.1752 2.5079 2.5079 k = 0.1146 0.1312-0.0000 ( 4777 PWs) bands (ev): -12.1109 -12.1109 -11.7644 -11.7644 -10.9527 -10.9527 -10.6126 -10.6126 -6.8013 -6.8013 -6.7539 -6.7539 -2.9860 -2.9860 -2.9375 -2.9375 -1.2581 -1.2581 -1.0103 -1.0103 -0.6323 -0.6323 -0.2283 -0.2283 -0.1656 -0.1656 0.0906 0.0906 0.5304 0.5304 0.5660 0.5660 1.8141 1.8141 1.8974 1.8974 2.2137 2.2137 2.5143 2.5143 k = 0.1234 0.1413-0.0000 ( 4777 PWs) bands (ev): -12.0917 -12.0917 -11.7523 -11.7523 -10.9578 -10.9578 -10.6345 -10.6345 -6.8082 -6.8082 -6.7505 -6.7505 -2.9744 -2.9744 -2.9440 -2.9440 -1.3086 -1.3086 -1.0367 -1.0367 -0.6950 -0.6950 -0.2767 -0.2767 -0.1124 -0.1124 0.0828 0.0828 0.5473 0.5473 0.6230 0.6230 1.8565 1.8565 1.8892 1.8892 2.2529 2.2529 2.5157 2.5157 k = 0.1322 0.1514-0.0000 ( 4777 PWs) bands (ev): -12.0713 -12.0713 -11.7397 -11.7397 -10.9632 -10.9632 -10.6572 -10.6572 -6.8152 -6.8152 -6.7477 -6.7477 -2.9645 -2.9645 -2.9482 -2.9482 -1.3583 -1.3583 -1.0638 -1.0638 -0.7581 -0.7581 -0.3261 -0.3261 -0.0567 -0.0567 0.0743 0.0743 0.5556 0.5556 0.6888 0.6888 1.8810 1.8810 1.9006 1.9006 2.2924 2.2924 2.5075 2.5075 k = 0.1410 0.1615-0.0000 ( 4785 PWs) bands (ev): -12.0497 -12.0497 -11.7266 -11.7266 -10.9688 -10.9688 -10.6804 -10.6804 -6.8223 -6.8223 -6.7455 -6.7455 -2.9598 -2.9598 -2.9470 -2.9470 -1.4062 -1.4062 -1.0915 -1.0915 -0.8213 -0.8213 -0.3765 -0.3765 -0.0001 -0.0001 0.0664 0.0664 0.5631 0.5631 0.7546 0.7546 1.8771 1.8771 1.9420 1.9420 2.3320 2.3320 2.4897 2.4898 k = 0.1498 0.1716-0.0000 ( 4781 PWs) bands (ev): -12.0271 -12.0271 -11.7132 -11.7132 -10.9745 -10.9745 -10.7039 -10.7039 -6.8294 -6.8294 -6.7440 -6.7440 -2.9601 -2.9601 -2.9408 -2.9408 -1.4519 -1.4519 -1.1197 -1.1197 -0.8846 -0.8846 -0.4274 -0.4274 0.0395 0.0395 0.0768 0.0768 0.5708 0.5708 0.8184 0.8184 1.8749 1.8749 1.9834 1.9834 2.3715 2.3715 2.4690 2.4690 k = 0.1586 0.1817-0.0000 ( 4765 PWs) bands (ev): -12.0034 -12.0034 -11.6994 -11.6994 -10.9804 -10.9804 -10.7277 -10.7277 -6.8366 -6.8366 -6.7433 -6.7433 -2.9604 -2.9604 -2.9348 -2.9348 -1.4944 -1.4944 -1.1484 -1.1484 -0.9476 -0.9476 -0.4787 -0.4787 0.0351 0.0351 0.1321 0.1321 0.5786 0.5786 0.8784 0.8784 1.8754 1.8754 2.0241 2.0241 2.4106 2.4106 2.4486 2.4486 k = 0.1674 0.1918-0.0000 ( 4773 PWs) bands (ev): -11.9787 -11.9787 -11.6855 -11.6855 -10.9863 -10.9863 -10.7514 -10.7514 -6.8438 -6.8438 -6.7435 -6.7435 -2.9594 -2.9594 -2.9307 -2.9307 -1.5332 -1.5332 -1.1774 -1.1774 -1.0102 -1.0102 -0.5301 -0.5301 0.0235 0.0235 0.1952 0.1952 0.5868 0.5868 0.9329 0.9329 1.8790 1.8790 2.0640 2.0640 2.4286 2.4286 2.4499 2.4499 k = 0.1762 0.2018-0.0000 ( 4775 PWs) bands (ev): -11.9532 -11.9532 -11.6715 -11.6715 -10.9923 -10.9923 -10.7749 -10.7749 -6.8510 -6.8510 -6.7446 -6.7446 -2.9568 -2.9568 -2.9293 -2.9293 -1.5676 -1.5676 -1.2065 -1.2065 -1.0724 -1.0724 -0.5816 -0.5816 0.0103 0.0103 0.2600 0.2600 0.5952 0.5952 0.9799 0.9799 1.8869 1.8869 2.1029 2.1029 2.4129 2.4129 2.4689 2.4689 k = 0.1850 0.2119-0.0000 ( 4791 PWs) bands (ev): -11.9270 -11.9270 -11.6577 -11.6577 -10.9982 -10.9982 -10.7980 -10.7980 -6.8583 -6.8583 -6.7467 -6.7467 -2.9527 -2.9527 -2.9308 -2.9308 -1.5970 -1.5970 -1.2357 -1.2357 -1.1338 -1.1338 -0.6330 -0.6330 -0.0039 -0.0039 0.3254 0.3254 0.6038 0.6038 1.0173 1.0173 1.9001 1.9001 2.1407 2.1407 2.4005 2.4005 2.4482 2.4482 k = 0.1939 0.2220-0.0000 ( 4795 PWs) bands (ev): -11.9001 -11.9001 -11.6441 -11.6441 -11.0039 -11.0039 -10.8204 -10.8204 -6.8657 -6.8657 -6.7496 -6.7496 -2.9475 -2.9475 -2.9349 -2.9349 -1.6210 -1.6210 -1.2647 -1.2647 -1.1944 -1.1944 -0.6840 -0.6840 -0.0188 -0.0188 0.3904 0.3904 0.6127 0.6127 1.0431 1.0431 1.9201 1.9201 2.1775 2.1775 2.3910 2.3910 2.4157 2.4157 k = 0.2027 0.2321-0.0000 ( 4793 PWs) bands (ev): -11.8726 -11.8726 -11.6310 -11.6310 -11.0093 -11.0093 -10.8419 -10.8419 -6.8731 -6.8731 -6.7535 -6.7535 -2.9471 -2.9471 -2.9362 -2.9362 -1.6393 -1.6393 -1.2934 -1.2934 -1.2540 -1.2540 -0.7345 -0.7345 -0.0343 -0.0343 0.4543 0.4543 0.6218 0.6218 1.0560 1.0560 1.9479 1.9479 2.2131 2.2131 2.3603 2.3603 2.3926 2.3926 k = 0.2115 0.2422-0.0000 ( 4789 PWs) bands (ev): -11.8448 -11.8448 -11.6186 -11.6186 -11.0144 -11.0144 -10.8623 -10.8623 -6.8807 -6.8807 -6.7584 -6.7584 -2.9574 -2.9574 -2.9288 -2.9288 -1.6518 -1.6518 -1.3231 -1.3231 -1.3108 -1.3108 -0.7846 -0.7846 -0.0502 -0.0502 0.5159 0.5159 0.6312 0.6312 1.0553 1.0553 1.9839 1.9839 2.2471 2.2471 2.3045 2.3045 2.3892 2.3892 k = 0.2203 0.2523-0.0000 ( 4793 PWs) bands (ev): -11.8167 -11.8167 -11.6071 -11.6071 -11.0189 -11.0189 -10.8813 -10.8813 -6.8885 -6.8885 -6.7641 -6.7641 -2.9721 -2.9721 -2.9190 -2.9190 -1.6584 -1.6584 -1.3724 -1.3724 -1.3459 -1.3459 -0.8339 -0.8339 -0.0666 -0.0666 0.5738 0.5738 0.6410 0.6410 1.0417 1.0417 2.0278 2.0278 2.2437 2.2437 2.2827 2.2827 2.3694 2.3694 k = 0.2291 0.2624-0.0000 ( 4791 PWs) bands (ev): -11.7886 -11.7886 -11.5966 -11.5966 -11.0228 -11.0228 -10.8986 -10.8986 -6.8966 -6.8966 -6.7706 -6.7706 -2.9898 -2.9898 -2.9081 -2.9081 -1.6594 -1.6594 -1.4284 -1.4284 -1.3717 -1.3717 -0.8825 -0.8825 -0.0834 -0.0834 0.6250 0.6250 0.6528 0.6528 1.0163 1.0163 2.0785 2.0785 2.1872 2.1872 2.3139 2.3139 2.3444 2.3444 k = 0.2379 0.2725-0.0000 ( 4801 PWs) bands (ev): -11.7606 -11.7606 -11.5875 -11.5875 -11.0259 -11.0259 -10.9140 -10.9140 -6.9050 -6.9050 -6.7780 -6.7780 -3.0100 -3.0100 -2.8966 -2.8966 -1.6550 -1.6550 -1.4836 -1.4836 -1.3954 -1.3954 -0.9302 -0.9302 -0.1005 -0.1005 0.6534 0.6534 0.6812 0.6812 0.9810 0.9810 2.1328 2.1328 2.1345 2.1345 2.3192 2.3192 2.3452 2.3452 k = 0.2467 0.2826-0.0000 ( 4793 PWs) bands (ev): -11.7330 -11.7330 -11.5800 -11.5800 -11.0279 -11.0279 -10.9273 -10.9273 -6.9138 -6.9138 -6.7860 -6.7860 -3.0322 -3.0322 -2.8847 -2.8847 -1.6460 -1.6460 -1.5373 -1.5373 -1.4168 -1.4168 -0.9769 -0.9769 -0.1177 -0.1177 0.6647 0.6647 0.7184 0.7184 0.9377 0.9377 2.0829 2.0829 2.1941 2.1941 2.2957 2.2957 2.3750 2.3750 k = 0.2555 0.2927-0.0000 ( 4785 PWs) bands (ev): -11.7060 -11.7060 -11.5742 -11.5742 -11.0288 -11.0288 -10.9383 -10.9383 -6.9230 -6.9230 -6.7947 -6.7947 -3.0557 -3.0557 -2.8729 -2.8729 -1.6337 -1.6337 -1.5883 -1.5883 -1.4358 -1.4358 -1.0226 -1.0226 -0.1351 -0.1351 0.6738 0.6738 0.7476 0.7476 0.8882 0.8882 2.0390 2.0390 2.2520 2.2520 2.2779 2.2779 2.4040 2.4040 k = 0.2644 0.3028-0.0000 ( 4793 PWs) bands (ev): -11.6798 -11.6798 -11.5703 -11.5703 -11.0282 -11.0282 -10.9467 -10.9467 -6.9329 -6.9329 -6.8039 -6.8039 -3.0800 -3.0800 -2.8616 -2.8616 -1.6459 -1.6459 -1.6096 -1.6096 -1.4518 -1.4518 -1.0673 -1.0673 -0.1526 -0.1526 0.6817 0.6817 0.7656 0.7656 0.8344 0.8344 2.0022 2.0022 2.2511 2.2511 2.3225 2.3225 2.4319 2.4319 k = 0.2732 0.3129-0.0000 ( 4797 PWs) bands (ev): -11.6549 -11.6549 -11.5685 -11.5685 -11.0259 -11.0259 -10.9525 -10.9525 -6.9433 -6.9433 -6.8137 -6.8137 -3.1045 -3.1045 -2.8511 -2.8511 -1.6934 -1.6934 -1.5908 -1.5908 -1.4646 -1.4646 -1.1107 -1.1107 -0.1701 -0.1701 0.6870 0.6870 0.7710 0.7710 0.7791 0.7791 1.9729 1.9729 2.2361 2.2361 2.3833 2.3833 2.4590 2.4590 k = 0.2820 0.3229-0.0000 ( 4797 PWs) bands (ev): -11.6313 -11.6313 -11.5686 -11.5686 -11.0217 -11.0217 -10.9557 -10.9557 -6.9544 -6.9544 -6.8238 -6.8238 -3.1286 -3.1286 -2.8418 -2.8418 -1.7412 -1.7412 -1.5671 -1.5671 -1.4736 -1.4736 -1.1529 -1.1529 -0.1875 -0.1875 0.6798 0.6798 0.7326 0.7326 0.7636 0.7636 1.9505 1.9505 2.2255 2.2255 2.4395 2.4395 2.4855 2.4855 k = 0.2908 0.3330-0.0000 ( 4803 PWs) bands (ev): -11.6095 -11.6095 -11.5708 -11.5708 -11.0155 -11.0155 -10.9563 -10.9563 -6.9663 -6.9663 -6.8342 -6.8342 -3.1519 -3.1519 -2.8342 -2.8342 -1.7877 -1.7877 -1.5408 -1.5408 -1.4787 -1.4787 -1.1938 -1.1938 -0.2048 -0.2048 0.6365 0.6365 0.7171 0.7171 0.7464 0.7464 1.9338 1.9338 2.2210 2.2210 2.4849 2.4849 2.5115 2.5115 k = 0.2996 0.3431-0.0000 ( 4789 PWs) bands (ev): -11.5896 -11.5896 -11.5749 -11.5749 -11.0070 -11.0070 -10.9544 -10.9544 -6.9789 -6.9789 -6.8448 -6.8448 -3.1740 -3.1740 -2.8284 -2.8284 -1.8327 -1.8327 -1.5126 -1.5126 -1.4793 -1.4793 -1.2333 -1.2333 -0.2220 -0.2220 0.5765 0.5765 0.6983 0.6983 0.7359 0.7359 1.9208 1.9208 2.2235 2.2235 2.5174 2.5174 2.5359 2.5359 k = 0.3084 0.3532-0.0000 ( 4785 PWs) bands (ev): -11.5807 -11.5807 -11.5719 -11.5719 -10.9961 -10.9961 -10.9503 -10.9503 -6.9923 -6.9923 -6.8555 -6.8555 -3.1945 -3.1945 -2.8248 -2.8248 -1.8760 -1.8760 -1.4840 -1.4840 -1.4745 -1.4745 -1.2714 -1.2714 -0.2388 -0.2388 0.5132 0.5132 0.6580 0.6580 0.7393 0.7393 1.9096 1.9096 2.2332 2.2332 2.5421 2.5421 2.5577 2.5577 k = 0.3172 0.3633-0.0000 ( 4793 PWs) bands (ev): -11.5880 -11.5880 -11.5564 -11.5564 -10.9828 -10.9828 -10.9442 -10.9442 -7.0065 -7.0065 -6.8663 -6.8663 -3.2130 -3.2130 -2.8236 -2.8236 -1.9177 -1.9177 -1.4687 -1.4687 -1.4508 -1.4508 -1.3080 -1.3080 -0.2554 -0.2554 0.4490 0.4490 0.6069 0.6069 0.7457 0.7457 1.8991 1.8991 2.2495 2.2495 2.5621 2.5621 2.5774 2.5774 k = 0.3260 0.3734-0.0000 ( 4793 PWs) bands (ev): -11.5965 -11.5965 -11.5431 -11.5431 -10.9672 -10.9672 -10.9364 -10.9364 -7.0216 -7.0216 -6.8770 -6.8770 -3.2294 -3.2294 -2.8247 -2.8247 -1.9576 -1.9576 -1.4556 -1.4556 -1.4198 -1.4198 -1.3429 -1.3429 -0.2716 -0.2716 0.3849 0.3849 0.5488 0.5488 0.7529 0.7529 1.8888 1.8888 2.2708 2.2708 2.5779 2.5779 2.5961 2.5961 k = 0.3349 0.3835-0.0000 ( 4793 PWs) bands (ev): -11.6061 -11.6061 -11.5322 -11.5322 -10.9493 -10.9493 -10.9271 -10.9271 -7.0374 -7.0374 -6.8875 -6.8875 -3.2435 -3.2435 -2.8282 -2.8282 -1.9957 -1.9957 -1.4389 -1.4389 -1.3894 -1.3894 -1.3745 -1.3745 -0.2874 -0.2874 0.3214 0.3214 0.4858 0.4858 0.7601 0.7601 1.8789 1.8789 2.2953 2.2953 2.5897 2.5897 2.6143 2.6143 k = 0.3437 0.3936-0.0000 ( 4789 PWs) bands (ev): -11.6163 -11.6163 -11.5233 -11.5233 -10.9295 -10.9295 -10.9167 -10.9167 -7.0539 -7.0539 -6.8979 -6.8979 -3.2551 -3.2551 -2.8339 -2.8339 -2.0320 -2.0320 -1.4235 -1.4235 -1.4023 -1.4023 -1.3559 -1.3559 -0.3027 -0.3027 0.2588 0.2588 0.4197 0.4197 0.7672 0.7672 1.8697 1.8697 2.3211 2.3211 2.5977 2.5977 2.6320 2.6320 k = 0.3525 0.4037-0.0000 ( 4793 PWs) bands (ev): -11.6271 -11.6271 -11.5164 -11.5164 -10.9081 -10.9081 -10.9054 -10.9054 -7.0710 -7.0710 -6.9080 -6.9080 -3.2643 -3.2643 -2.8416 -2.8416 -2.0665 -2.0665 -1.4429 -1.4429 -1.3874 -1.3874 -1.3250 -1.3250 -0.3175 -0.3175 0.1973 0.1973 0.3518 0.3518 0.7741 0.7741 1.8616 1.8616 2.3465 2.3465 2.6021 2.6021 2.6488 2.6488 k = 0.3613 0.4138-0.0000 ( 4797 PWs) bands (ev): -11.6382 -11.6382 -11.5112 -11.5112 -10.8935 -10.8935 -10.8853 -10.8853 -7.0886 -7.0886 -6.9178 -6.9178 -3.2710 -3.2710 -2.8511 -2.8511 -2.0991 -2.0991 -1.4708 -1.4708 -1.3589 -1.3589 -1.2949 -1.2949 -0.3317 -0.3317 0.1372 0.1372 0.2834 0.2834 0.7808 0.7808 1.8552 1.8552 2.3699 2.3699 2.6032 2.6032 2.6648 2.6648 k = 0.3701 0.4239-0.0000 ( 4795 PWs) bands (ev): -11.6494 -11.6494 -11.5075 -11.5075 -10.8813 -10.8813 -10.8615 -10.8615 -7.1066 -7.1066 -6.9272 -6.9272 -3.2753 -3.2753 -2.8620 -2.8620 -2.1298 -2.1298 -1.4978 -1.4978 -1.3263 -1.3263 -1.2659 -1.2659 -0.3452 -0.3452 0.0785 0.0785 0.2154 0.2154 0.7871 0.7871 1.8509 1.8509 2.3903 2.3903 2.6012 2.6012 2.6798 2.6798 k = 0.3789 0.4340-0.0000 ( 4794 PWs) bands (ev): -11.6604 -11.6604 -11.5050 -11.5050 -10.8690 -10.8690 -10.8372 -10.8372 -7.1248 -7.1248 -6.9362 -6.9362 -3.2773 -3.2773 -2.8741 -2.8741 -2.1586 -2.1586 -1.5233 -1.5233 -1.2907 -1.2907 -1.2384 -1.2384 -0.3581 -0.3581 0.0214 0.0214 0.1486 0.1486 0.7931 0.7931 1.8489 1.8489 2.4068 2.4068 2.5962 2.5962 2.6939 2.6939 k = 0.3877 0.4441-0.0000 ( 4804 PWs) bands (ev): -11.6712 -11.6712 -11.5036 -11.5036 -10.8567 -10.8567 -10.8127 -10.8127 -7.1431 -7.1431 -6.9447 -6.9447 -3.2773 -3.2773 -2.8870 -2.8870 -2.1855 -2.1855 -1.5471 -1.5471 -1.2527 -1.2527 -1.2125 -1.2125 -0.3703 -0.3703 -0.0341 -0.0341 0.0840 0.0840 0.7987 0.7987 1.8494 1.8494 2.4186 2.4186 2.5886 2.5886 2.7070 2.7070 k = 0.3965 0.4541-0.0000 ( 4800 PWs) bands (ev): -11.6817 -11.6817 -11.5030 -11.5030 -10.8447 -10.8447 -10.7884 -10.7884 -7.1612 -7.1612 -6.9526 -6.9526 -3.2753 -3.2753 -2.9004 -2.9004 -2.2104 -2.2104 -1.5693 -1.5693 -1.2130 -1.2130 -1.1883 -1.1883 -0.3817 -0.3817 -0.0879 -0.0879 0.0222 0.0222 0.8040 0.8040 1.8527 1.8527 2.4255 2.4255 2.5787 2.5787 2.7191 2.7191 k = 0.4053 0.4642-0.0000 ( 4800 PWs) bands (ev): -11.6916 -11.6916 -11.5031 -11.5031 -10.8332 -10.8332 -10.7647 -10.7647 -7.1790 -7.1790 -6.9600 -6.9600 -3.2716 -3.2716 -2.9139 -2.9139 -2.2333 -2.2333 -1.5897 -1.5897 -1.1754 -1.1754 -1.1627 -1.1627 -0.3923 -0.3923 -0.1401 -0.1401 -0.0361 -0.0361 0.8089 0.8089 1.8588 1.8588 2.4273 2.4273 2.5669 2.5669 2.7301 2.7301 k = 0.4142 0.4743-0.0000 ( 4800 PWs) bands (ev): -11.7009 -11.7009 -11.5036 -11.5036 -10.8222 -10.8222 -10.7418 -10.7418 -7.1962 -7.1962 -6.9669 -6.9669 -3.2667 -3.2667 -2.9273 -2.9273 -2.2542 -2.2542 -1.6084 -1.6084 -1.1518 -1.1518 -1.1244 -1.1244 -0.4021 -0.4021 -0.1907 -0.1907 -0.0904 -0.0904 0.8133 0.8133 1.8676 1.8676 2.4242 2.4242 2.5538 2.5538 2.7403 2.7403 k = 0.4230 0.4844-0.0000 ( 4800 PWs) bands (ev): -11.7096 -11.7096 -11.5044 -11.5044 -10.8119 -10.8119 -10.7202 -10.7202 -7.2125 -7.2125 -6.9731 -6.9731 -3.2607 -3.2607 -2.9402 -2.9402 -2.2731 -2.2731 -1.6254 -1.6254 -1.1350 -1.1350 -1.0811 -1.0811 -0.4111 -0.4111 -0.2396 -0.2396 -0.1402 -0.1402 0.8174 0.8174 1.8791 1.8791 2.4164 2.4164 2.5397 2.5397 2.7494 2.7494 k = 0.4318 0.4945-0.0000 ( 4784 PWs) bands (ev): -11.7174 -11.7174 -11.5054 -11.5054 -10.8024 -10.8024 -10.7001 -10.7001 -7.2278 -7.2278 -6.9786 -6.9786 -3.2541 -3.2541 -2.9524 -2.9524 -2.2900 -2.2900 -1.6405 -1.6405 -1.1214 -1.1214 -1.0368 -1.0368 -0.4193 -0.4193 -0.2869 -0.2869 -0.1849 -0.1849 0.8210 0.8210 1.8931 1.8931 2.4045 2.4045 2.5253 2.5253 2.7575 2.7575 k = 0.4406 0.5046-0.0000 ( 4788 PWs) bands (ev): -11.7245 -11.7245 -11.5065 -11.5065 -10.7939 -10.7939 -10.6817 -10.6817 -7.2419 -7.2419 -6.9836 -6.9836 -3.2471 -3.2471 -2.9636 -2.9636 -2.3049 -2.3049 -1.6538 -1.6538 -1.1106 -1.1106 -0.9925 -0.9925 -0.4266 -0.4266 -0.3326 -0.3326 -0.2243 -0.2243 0.8242 0.8242 1.9091 1.9091 2.3890 2.3890 2.5111 2.5111 2.7647 2.7647 k = 0.4406 0.5046-0.0000 ( 4788 PWs) bands (ev): -11.7245 -11.7245 -11.5065 -11.5065 -10.7939 -10.7939 -10.6817 -10.6817 -7.2419 -7.2419 -6.9836 -6.9836 -3.2471 -3.2471 -2.9636 -2.9636 -2.3049 -2.3049 -1.6538 -1.6538 -1.1106 -1.1106 -0.9925 -0.9925 -0.4266 -0.4266 -0.3326 -0.3326 -0.2243 -0.2243 0.8242 0.8242 1.9091 1.9091 2.3890 2.3890 2.5111 2.5111 2.7647 2.7647 k = 0.4272 0.5046-0.0000 ( 4788 PWs) bands (ev): -11.7203 -11.7203 -11.5060 -11.5060 -10.7995 -10.7995 -10.6934 -10.6934 -7.2326 -7.2326 -6.9803 -6.9803 -3.2515 -3.2515 -2.9565 -2.9565 -2.2943 -2.2943 -1.6453 -1.6453 -1.1163 -1.1163 -1.0221 -1.0221 -0.4212 -0.4212 -0.3022 -0.3022 -0.1989 -0.1989 0.8212 0.8212 1.8991 1.8991 2.3996 2.3996 2.5203 2.5203 2.7601 2.7601 k = 0.4139 0.5046-0.0000 ( 4798 PWs) bands (ev): -11.7162 -11.7162 -11.5058 -11.5058 -10.8056 -10.8056 -10.7058 -10.7058 -7.2223 -7.2223 -6.9766 -6.9766 -3.2555 -3.2555 -2.9494 -2.9494 -2.2806 -2.2806 -1.6363 -1.6363 -1.1209 -1.1209 -1.0528 -1.0528 -0.4137 -0.4137 -0.2705 -0.2705 -0.1708 -0.1708 0.8159 0.8159 1.8915 1.8915 2.4091 2.4091 2.5292 2.5292 2.7549 2.7549 k = 0.4005 0.5046-0.0000 ( 4794 PWs) bands (ev): -11.7125 -11.7125 -11.5060 -11.5060 -10.8122 -10.8122 -10.7186 -10.7186 -7.2111 -7.2111 -6.9724 -6.9724 -3.2591 -3.2591 -2.9423 -2.9423 -2.2639 -2.2639 -1.6267 -1.6267 -1.1244 -1.1244 -1.0840 -1.0840 -0.4038 -0.4038 -0.2378 -0.2378 -0.1399 -0.1399 0.8083 0.8083 1.8863 1.8863 2.4171 2.4171 2.5379 2.5379 2.7493 2.7493 k = 0.3872 0.5046-0.0000 ( 4799 PWs) bands (ev): -11.7089 -11.7089 -11.5066 -11.5066 -10.8193 -10.8193 -10.7319 -10.7319 -7.1991 -7.1991 -6.9678 -6.9678 -3.2621 -3.2621 -2.9352 -2.9352 -2.2443 -2.2443 -1.6169 -1.6169 -1.1287 -1.1287 -1.1135 -1.1135 -0.3916 -0.3916 -0.2045 -0.2045 -0.1063 -0.1063 0.7985 0.7985 1.8834 1.8834 2.4234 2.4234 2.5461 2.5461 2.7430 2.7430 k = 0.3738 0.5046-0.0000 ( 4799 PWs) bands (ev): -11.7055 -11.7055 -11.5075 -11.5075 -10.8268 -10.8268 -10.7456 -10.7456 -7.1863 -7.1863 -6.9628 -6.9628 -3.2644 -3.2644 -2.9282 -2.9282 -2.2219 -2.2219 -1.6070 -1.6070 -1.1507 -1.1507 -1.1238 -1.1238 -0.3773 -0.3773 -0.1706 -0.1706 -0.0701 -0.0701 0.7863 0.7863 1.8827 1.8827 2.4277 2.4277 2.5537 2.5537 2.7360 2.7360 k = 0.3605 0.5046-0.0000 ( 4797 PWs) bands (ev): -11.7023 -11.7023 -11.5089 -11.5089 -10.8347 -10.8347 -10.7596 -10.7596 -7.1729 -7.1729 -6.9576 -6.9576 -3.2662 -3.2662 -2.9213 -2.9213 -2.1968 -2.1968 -1.5974 -1.5974 -1.1816 -1.1816 -1.1232 -1.1232 -0.3610 -0.3610 -0.1364 -0.1364 -0.0313 -0.0313 0.7718 0.7718 1.8842 1.8842 2.4299 2.4299 2.5604 2.5604 2.7282 2.7282 k = 0.3471 0.5046-0.0000 ( 4797 PWs) bands (ev): -11.6993 -11.6993 -11.5105 -11.5105 -10.8429 -10.8429 -10.7737 -10.7737 -7.1590 -7.1590 -6.9521 -6.9521 -3.2671 -3.2671 -2.9145 -2.9145 -2.1692 -2.1692 -1.5884 -1.5884 -1.2126 -1.2126 -1.1197 -1.1197 -0.3428 -0.3428 -0.1017 -0.1017 0.0099 0.0099 0.7551 0.7551 1.8875 1.8875 2.4297 2.4297 2.5662 2.5662 2.7194 2.7194 k = 0.3338 0.5046-0.0000 ( 4804 PWs) bands (ev): -11.6965 -11.6965 -11.5126 -11.5126 -10.8514 -10.8514 -10.7880 -10.7880 -7.1447 -7.1447 -6.9463 -6.9463 -3.2673 -3.2673 -2.9079 -2.9079 -2.1393 -2.1393 -1.5805 -1.5805 -1.2427 -1.2427 -1.1135 -1.1135 -0.3231 -0.3231 -0.0668 -0.0668 0.0533 0.0533 0.7362 0.7362 1.8924 1.8924 2.4270 2.4270 2.5707 2.5707 2.7098 2.7098 k = 0.3204 0.5046-0.0000 ( 4804 PWs) bands (ev): -11.6938 -11.6938 -11.5150 -11.5150 -10.8601 -10.8601 -10.8024 -10.8024 -7.1301 -7.1301 -6.9405 -6.9405 -3.2666 -3.2666 -2.9016 -2.9016 -2.1073 -2.1073 -1.5740 -1.5740 -1.2717 -1.2717 -1.1042 -1.1042 -0.3018 -0.3018 -0.0316 -0.0316 0.0987 0.0987 0.7154 0.7154 1.8985 1.8985 2.4217 2.4217 2.5738 2.5738 2.6992 2.6992 k = 0.3071 0.5046-0.0000 ( 4798 PWs) bands (ev): -11.6913 -11.6913 -11.5177 -11.5177 -10.8690 -10.8690 -10.8167 -10.8167 -7.1152 -7.1152 -6.9345 -6.9345 -3.2650 -3.2650 -2.8956 -2.8956 -2.0736 -2.0736 -1.5693 -1.5693 -1.2988 -1.2988 -1.0915 -1.0915 -0.2793 -0.2793 0.0037 0.0037 0.1460 0.1460 0.6926 0.6926 1.9055 1.9055 2.4138 2.4138 2.5753 2.5753 2.6876 2.6876 k = 0.2937 0.5046-0.0000 ( 4801 PWs) bands (ev): -11.6888 -11.6888 -11.5207 -11.5207 -10.8780 -10.8780 -10.8309 -10.8309 -7.1002 -7.1002 -6.9285 -6.9285 -3.2625 -3.2625 -2.8899 -2.8899 -2.0386 -2.0386 -1.5668 -1.5668 -1.3238 -1.3238 -1.0751 -1.0751 -0.2556 -0.2556 0.0391 0.0391 0.1948 0.1948 0.6679 0.6679 1.9129 1.9129 2.4033 2.4033 2.5749 2.5749 2.6751 2.6751 k = 0.2804 0.5046-0.0000 ( 4804 PWs) bands (ev): -11.6865 -11.6865 -11.5240 -11.5240 -10.8871 -10.8871 -10.8450 -10.8450 -7.0852 -7.0852 -6.9225 -6.9225 -3.2590 -3.2590 -2.8846 -2.8846 -2.0030 -2.0030 -1.5665 -1.5665 -1.3458 -1.3458 -1.0549 -1.0549 -0.2311 -0.2311 0.0745 0.0745 0.2448 0.2448 0.6416 0.6416 1.9202 1.9202 2.3904 2.3904 2.5721 2.5721 2.6620 2.6620 k = 0.2670 0.5046-0.0000 ( 4792 PWs) bands (ev): -11.6842 -11.6842 -11.5276 -11.5276 -10.8962 -10.8962 -10.8588 -10.8588 -7.0702 -7.0702 -6.9165 -6.9165 -3.2545 -3.2545 -2.8798 -2.8798 -1.9675 -1.9675 -1.5686 -1.5686 -1.3640 -1.3640 -1.0308 -1.0308 -0.2058 -0.2058 0.1098 0.1098 0.2958 0.2958 0.6137 0.6137 1.9270 1.9270 2.3754 2.3754 2.5664 2.5664 2.6487 2.6487 k = 0.2537 0.5046-0.0000 ( 4794 PWs) bands (ev): -11.6820 -11.6820 -11.5315 -11.5315 -10.9053 -10.9053 -10.8722 -10.8722 -7.0554 -7.0554 -6.9107 -6.9107 -3.2489 -3.2489 -2.8756 -2.8756 -1.9331 -1.9331 -1.5729 -1.5729 -1.3776 -1.3776 -1.0030 -1.0030 -0.1800 -0.1800 0.1448 0.1448 0.3472 0.3472 0.5844 0.5844 1.9327 1.9327 2.3588 2.3588 2.5573 2.5573 2.6356 2.6356 k = 0.2403 0.5046-0.0000 ( 4796 PWs) bands (ev): -11.6799 -11.6799 -11.5356 -11.5356 -10.9143 -10.9143 -10.8853 -10.8853 -7.0409 -7.0409 -6.9050 -6.9050 -3.2423 -3.2423 -2.8720 -2.8720 -1.9010 -1.9010 -1.5792 -1.5792 -1.3851 -1.3851 -0.9718 -0.9718 -0.1539 -0.1539 0.1796 0.1796 0.3981 0.3981 0.5544 0.5544 1.9366 1.9366 2.3413 2.3413 2.5441 2.5441 2.6231 2.6231 k = 0.2270 0.5046-0.0000 ( 4794 PWs) bands (ev): -11.6777 -11.6777 -11.5399 -11.5399 -10.9231 -10.9231 -10.8980 -10.8980 -7.0266 -7.0266 -6.8995 -6.8995 -3.2347 -3.2347 -2.8692 -2.8692 -1.8726 -1.8726 -1.5873 -1.5873 -1.3854 -1.3854 -0.9375 -0.9375 -0.1278 -0.1278 0.2139 0.2139 0.4456 0.4456 0.5263 0.5263 1.9381 1.9381 2.3236 2.3236 2.5268 2.5268 2.6114 2.6114 k = 0.2136 0.5046-0.0000 ( 4790 PWs) bands (ev): -11.6755 -11.6755 -11.5444 -11.5444 -10.9318 -10.9318 -10.9101 -10.9101 -7.0127 -7.0127 -6.8943 -6.8943 -3.2260 -3.2260 -2.8672 -2.8672 -1.8490 -1.8490 -1.5970 -1.5970 -1.3772 -1.3772 -0.9005 -0.9005 -0.1018 -0.1018 0.2478 0.2478 0.4658 0.4658 0.5239 0.5239 1.9366 1.9366 2.3068 2.3068 2.5056 2.5056 2.6002 2.6002 k = 0.2003 0.5046-0.0000 ( 4787 PWs) bands (ev): -11.6733 -11.6733 -11.5491 -11.5491 -10.9402 -10.9402 -10.9218 -10.9218 -6.9992 -6.9992 -6.8894 -6.8894 -3.2163 -3.2163 -2.8661 -2.8661 -1.8312 -1.8312 -1.6079 -1.6079 -1.3596 -1.3596 -0.8613 -0.8613 -0.0765 -0.0765 0.2808 0.2808 0.4407 0.4407 0.5648 0.5648 1.9315 1.9315 2.2919 2.2919 2.4810 2.4810 2.5892 2.5892 k = 0.1869 0.5046-0.0000 ( 4783 PWs) bands (ev): -11.6710 -11.6710 -11.5540 -11.5540 -10.9483 -10.9483 -10.9328 -10.9328 -6.9862 -6.9862 -6.8848 -6.8848 -3.2056 -3.2056 -2.8660 -2.8660 -1.8191 -1.8191 -1.6199 -1.6199 -1.3327 -1.3327 -0.8203 -0.8203 -0.0521 -0.0521 0.3121 0.3121 0.4073 0.4073 0.6125 0.6125 1.9226 1.9226 2.2796 2.2796 2.4535 2.4535 2.5778 2.5778 k = 0.1736 0.5046-0.0000 ( 4775 PWs) bands (ev): -11.6687 -11.6687 -11.5590 -11.5590 -10.9561 -10.9561 -10.9432 -10.9432 -6.9737 -6.9737 -6.8805 -6.8805 -3.1939 -3.1939 -2.8670 -2.8670 -1.8122 -1.8122 -1.6326 -1.6326 -1.2972 -1.2972 -0.7780 -0.7780 -0.0290 -0.0290 0.3344 0.3344 0.3797 0.3797 0.6596 0.6596 1.9101 1.9101 2.2706 2.2706 2.4236 2.4236 2.5658 2.5658 k = 0.1602 0.5046-0.0000 ( 4772 PWs) bands (ev): -11.6662 -11.6662 -11.5641 -11.5641 -10.9636 -10.9636 -10.9529 -10.9529 -6.9619 -6.9619 -6.8767 -6.8767 -3.1813 -3.1813 -2.8692 -2.8692 -1.8092 -1.8092 -1.6460 -1.6460 -1.2544 -1.2544 -0.7351 -0.7351 -0.0076 -0.0076 0.3164 0.3164 0.3906 0.3906 0.7046 0.7046 1.8947 1.8947 2.2649 2.2649 2.3917 2.3917 2.5531 2.5531 k = 0.1469 0.5046-0.0000 ( 4787 PWs) bands (ev): -11.6637 -11.6637 -11.5693 -11.5693 -10.9706 -10.9706 -10.9620 -10.9620 -6.9506 -6.9506 -6.8733 -6.8733 -3.1679 -3.1679 -2.8726 -2.8726 -1.8089 -1.8089 -1.6597 -1.6597 -1.2057 -1.2057 -0.6920 -0.6920 0.0114 0.0114 0.2786 0.2786 0.4199 0.4199 0.7464 0.7464 1.8775 1.8775 2.2624 2.2624 2.3581 2.3581 2.5396 2.5396 k = 0.1335 0.5046-0.0000 ( 4789 PWs) bands (ev): -11.6610 -11.6610 -11.5745 -11.5745 -10.9772 -10.9772 -10.9703 -10.9703 -6.9399 -6.9399 -6.8704 -6.8704 -3.1537 -3.1537 -2.8773 -2.8773 -1.8101 -1.8101 -1.6736 -1.6736 -1.1524 -1.1524 -0.6497 -0.6497 0.0277 0.0277 0.2376 0.2376 0.4518 0.4518 0.7839 0.7839 1.8601 1.8601 2.2622 2.2622 2.3234 2.3234 2.5253 2.5253 k = 0.1202 0.5046-0.0000 ( 4789 PWs) bands (ev): -11.6582 -11.6582 -11.5798 -11.5798 -10.9833 -10.9833 -10.9778 -10.9778 -6.9300 -6.9300 -6.8679 -6.8679 -3.1388 -3.1388 -2.8833 -2.8833 -1.8120 -1.8120 -1.6875 -1.6875 -1.0956 -1.0956 -0.6089 -0.6089 0.0408 0.0408 0.1957 0.1957 0.4846 0.4846 0.8162 0.8162 1.8443 1.8443 2.2614 2.2614 2.2907 2.2907 2.5102 2.5102 k = 0.1068 0.5046-0.0000 ( 4787 PWs) bands (ev): -11.6552 -11.6552 -11.5851 -11.5851 -10.9888 -10.9888 -10.9846 -10.9846 -6.9207 -6.9207 -6.8660 -6.8660 -3.1233 -3.1233 -2.8907 -2.8907 -1.8138 -1.8138 -1.7014 -1.7014 -1.0363 -1.0363 -0.5707 -0.5707 0.0503 0.0503 0.1541 0.1541 0.5181 0.5181 0.8423 0.8423 1.8316 1.8316 2.2411 2.2411 2.2784 2.2784 2.4946 2.4946 k = 0.0935 0.5046-0.0000 ( 4791 PWs) bands (ev): -11.6520 -11.6520 -11.5904 -11.5904 -10.9938 -10.9938 -10.9907 -10.9907 -6.9121 -6.9121 -6.8646 -6.8646 -3.1073 -3.1073 -2.8993 -2.8993 -1.8151 -1.8151 -1.7149 -1.7149 -0.9754 -0.9754 -0.5367 -0.5367 0.0558 0.0558 0.1141 0.1141 0.5521 0.5521 0.8613 0.8613 1.8236 1.8236 2.2049 2.2049 2.2830 2.2830 2.4784 2.4784 k = 0.0801 0.5046-0.0000 ( 4793 PWs) bands (ev): -11.6487 -11.6487 -11.5956 -11.5956 -10.9982 -10.9982 -10.9959 -10.9959 -6.9042 -6.9042 -6.8638 -6.8638 -3.0909 -3.0909 -2.9092 -2.9092 -1.8155 -1.8155 -1.7281 -1.7281 -0.9136 -0.9136 -0.5086 -0.5086 0.0568 0.0568 0.0777 0.0777 0.5868 0.5868 0.8726 0.8726 1.8214 1.8214 2.1661 2.1661 2.2910 2.2910 2.4619 2.4619 k = 0.0668 0.5046-0.0000 ( 4787 PWs) bands (ev): -11.6452 -11.6452 -11.6008 -11.6008 -11.0020 -11.0020 -11.0003 -11.0003 -6.8970 -6.8970 -6.8636 -6.8636 -3.0742 -3.0742 -2.9204 -2.9204 -1.8147 -1.8147 -1.7407 -1.7407 -0.8517 -0.8517 -0.4888 -0.4888 0.0428 0.0428 0.0575 0.0575 0.6218 0.6218 0.8758 0.8758 1.8257 1.8257 2.1266 2.1266 2.3007 2.3007 2.4453 2.4453 k = 0.0534 0.5046-0.0000 ( 4787 PWs) bands (ev): -11.6415 -11.6415 -11.6058 -11.6058 -11.0051 -11.0051 -11.0039 -11.0039 -6.8906 -6.8906 -6.8639 -6.8639 -3.0573 -3.0573 -2.9326 -2.9326 -1.8128 -1.8128 -1.7527 -1.7527 -0.7903 -0.7903 -0.4799 -0.4799 0.0190 0.0190 0.0507 0.0507 0.6570 0.6570 0.8711 0.8711 1.8368 1.8368 2.0869 2.0869 2.3116 2.3116 2.4286 2.4286 k = 0.0401 0.5046-0.0000 ( 4786 PWs) bands (ev): -11.6376 -11.6376 -11.6108 -11.6108 -11.0075 -11.0075 -11.0068 -11.0068 -6.8848 -6.8848 -6.8649 -6.8649 -3.0404 -3.0404 -2.9459 -2.9459 -1.8095 -1.8095 -1.7639 -1.7639 -0.7304 -0.7304 -0.4837 -0.4837 0.0036 0.0036 0.0417 0.0417 0.6919 0.6919 0.8592 0.8592 1.8542 1.8542 2.0476 2.0476 2.3237 2.3237 2.4122 2.4122 k = 0.0267 0.5046-0.0000 ( 4793 PWs) bands (ev): -11.6336 -11.6336 -11.6157 -11.6157 -11.0093 -11.0093 -11.0088 -11.0088 -6.8798 -6.8798 -6.8666 -6.8666 -3.0236 -3.0236 -2.9602 -2.9602 -1.8049 -1.8049 -1.7743 -1.7743 -0.6731 -0.6731 -0.5013 -0.5013 -0.0025 -0.0025 0.0307 0.0307 0.7262 0.7262 0.8409 0.8409 1.8774 1.8774 2.0091 2.0091 2.3366 2.3366 2.3960 2.3960 k = 0.0134 0.5046-0.0000 ( 4794 PWs) bands (ev): -11.6294 -11.6294 -11.6204 -11.6204 -11.0103 -11.0103 -11.0101 -11.0101 -6.8755 -6.8755 -6.8689 -6.8689 -3.0070 -3.0070 -2.9752 -2.9752 -1.7990 -1.7990 -1.7836 -1.7836 -0.6195 -0.6195 -0.5313 -0.5313 -0.0003 -0.0003 0.0188 0.0188 0.7590 0.7590 0.8174 0.8174 1.9054 1.9054 1.9721 1.9721 2.3505 2.3505 2.3802 2.3802 k = 0.0000 0.5046-0.0000 ( 4800 PWs) bands (ev): -11.6250 -11.6250 -11.6250 -11.6250 -11.0105 -11.0105 -11.0105 -11.0105 -6.8718 -6.8718 -6.8718 -6.8718 -2.9908 -2.9908 -2.9908 -2.9908 -1.7919 -1.7919 -1.7919 -1.7919 -0.5715 -0.5715 -0.5715 -0.5715 0.0077 0.0077 0.0077 0.0077 0.7898 0.7898 0.7898 0.7898 1.9372 1.9372 1.9372 1.9372 2.3650 2.3650 2.3650 2.3650 k = 0.0000 0.5046-0.0000 ( 4800 PWs) bands (ev): -11.6250 -11.6250 -11.6250 -11.6250 -11.0105 -11.0105 -11.0105 -11.0105 -6.8718 -6.8718 -6.8718 -6.8718 -2.9908 -2.9908 -2.9908 -2.9908 -1.7919 -1.7919 -1.7919 -1.7919 -0.5715 -0.5715 -0.5715 -0.5715 0.0077 0.0077 0.0077 0.0077 0.7898 0.7898 0.7898 0.7898 1.9372 1.9372 1.9372 1.9372 2.3650 2.3650 2.3650 2.3650 k = 0.0000 0.5046 0.0132 ( 4804 PWs) bands (ev): -11.6249 -11.6249 -11.6249 -11.6249 -11.0106 -11.0106 -11.0106 -11.0106 -6.8717 -6.8717 -6.8717 -6.8717 -2.9921 -2.9921 -2.9916 -2.9916 -1.7911 -1.7911 -1.7901 -1.7901 -0.5713 -0.5713 -0.5709 -0.5709 0.0059 0.0059 0.0072 0.0072 0.7889 0.7889 0.7906 0.7906 1.9367 1.9367 1.9372 1.9372 2.3652 2.3652 2.3661 2.3661 k = 0.0000 0.5046 0.0263 ( 4794 PWs) bands (ev): -11.6248 -11.6248 -11.6248 -11.6248 -11.0108 -11.0108 -11.0108 -11.0108 -6.8713 -6.8713 -6.8713 -6.8713 -2.9953 -2.9953 -2.9943 -2.9943 -1.7877 -1.7877 -1.7856 -1.7856 -0.5701 -0.5701 -0.5693 -0.5693 0.0019 0.0019 0.0044 0.0044 0.7882 0.7882 0.7915 0.7915 1.9356 1.9356 1.9365 1.9365 2.3667 2.3667 2.3684 2.3684 k = 0.0000 0.5046 0.0395 ( 4792 PWs) bands (ev): -11.6247 -11.6247 -11.6247 -11.6247 -11.0110 -11.0110 -11.0110 -11.0110 -6.8707 -6.8707 -6.8706 -6.8706 -3.0004 -3.0004 -2.9988 -2.9988 -1.7819 -1.7819 -1.7788 -1.7788 -0.5681 -0.5681 -0.5669 -0.5669 -0.0043 -0.0043 -0.0006 -0.0006 0.7874 0.7874 0.7924 0.7924 1.9340 1.9340 1.9353 1.9353 2.3694 2.3694 2.3719 2.3719 k = 0.0000 0.5046 0.0526 ( 4788 PWs) bands (ev): -11.6245 -11.6245 -11.6244 -11.6244 -11.0114 -11.0114 -11.0114 -11.0114 -6.8699 -6.8699 -6.8698 -6.8698 -3.0071 -3.0071 -3.0050 -3.0050 -1.7738 -1.7738 -1.7697 -1.7697 -0.5652 -0.5652 -0.5636 -0.5636 -0.0125 -0.0125 -0.0077 -0.0077 0.7867 0.7867 0.7933 0.7933 1.9319 1.9319 1.9336 1.9336 2.3731 2.3731 2.3764 2.3764 k = 0.0000 0.5046 0.0658 ( 4792 PWs) bands (ev): -11.6242 -11.6242 -11.6242 -11.6242 -11.0118 -11.0118 -11.0118 -11.0118 -6.8689 -6.8689 -6.8687 -6.8687 -3.0152 -3.0152 -3.0126 -3.0126 -1.7638 -1.7638 -1.7587 -1.7587 -0.5614 -0.5614 -0.5593 -0.5593 -0.0226 -0.0226 -0.0167 -0.0167 0.7861 0.7861 0.7941 0.7941 1.9295 1.9295 1.9314 1.9314 2.3778 2.3778 2.3817 2.3817 k = 0.0000 0.5046 0.0789 ( 4798 PWs) bands (ev): -11.6239 -11.6239 -11.6239 -11.6239 -11.0123 -11.0123 -11.0123 -11.0123 -6.8677 -6.8677 -6.8675 -6.8675 -3.0243 -3.0243 -3.0214 -3.0214 -1.7522 -1.7522 -1.7463 -1.7463 -0.5567 -0.5567 -0.5543 -0.5543 -0.0345 -0.0345 -0.0276 -0.0276 0.7855 0.7855 0.7949 0.7949 1.9269 1.9269 1.9290 1.9290 2.3832 2.3832 2.3876 2.3876 k = 0.0000 0.5046 0.0921 ( 4796 PWs) bands (ev): -11.6236 -11.6236 -11.6235 -11.6235 -11.0129 -11.0129 -11.0129 -11.0129 -6.8664 -6.8664 -6.8661 -6.8661 -3.0343 -3.0343 -3.0309 -3.0309 -1.7395 -1.7395 -1.7327 -1.7327 -0.5513 -0.5513 -0.5484 -0.5484 -0.0478 -0.0478 -0.0400 -0.0400 0.7850 0.7850 0.7956 0.7956 1.9242 1.9242 1.9265 1.9265 2.3891 2.3891 2.3941 2.3941 k = 0.0000 0.5046 0.1052 ( 4796 PWs) bands (ev): -11.6232 -11.6232 -11.6232 -11.6232 -11.0135 -11.0135 -11.0134 -11.0134 -6.8649 -6.8649 -6.8647 -6.8647 -3.0446 -3.0446 -3.0410 -3.0410 -1.7260 -1.7260 -1.7184 -1.7184 -0.5450 -0.5450 -0.5417 -0.5417 -0.0622 -0.0622 -0.0537 -0.0537 0.7844 0.7844 0.7962 0.7962 1.9215 1.9215 1.9239 1.9239 2.3953 2.3953 2.4007 2.4007 k = 0.0000 0.5046 0.1184 ( 4796 PWs) bands (ev): -11.6228 -11.6228 -11.6228 -11.6228 -11.0141 -11.0141 -11.0141 -11.0141 -6.8635 -6.8635 -6.8632 -6.8632 -3.0551 -3.0551 -3.0512 -3.0512 -1.7122 -1.7122 -1.7038 -1.7038 -0.5381 -0.5381 -0.5343 -0.5343 -0.0776 -0.0776 -0.0685 -0.0685 0.7839 0.7839 0.7968 0.7968 1.9189 1.9189 1.9213 1.9213 2.4017 2.4017 2.4074 2.4074 k = 0.0000 0.5046 0.1315 ( 4794 PWs) bands (ev): -11.6225 -11.6225 -11.6224 -11.6224 -11.0147 -11.0147 -11.0147 -11.0147 -6.8620 -6.8620 -6.8617 -6.8617 -3.0654 -3.0654 -3.0612 -3.0612 -1.6986 -1.6986 -1.6894 -1.6894 -0.5306 -0.5306 -0.5264 -0.5264 -0.0935 -0.0935 -0.0838 -0.0838 0.7835 0.7835 0.7972 0.7972 1.9164 1.9164 1.9188 1.9188 2.4080 2.4080 2.4139 2.4139 k = 0.0000 0.5046 0.1447 ( 4786 PWs) bands (ev): -11.6221 -11.6221 -11.6220 -11.6220 -11.0153 -11.0153 -11.0153 -11.0153 -6.8606 -6.8606 -6.8602 -6.8602 -3.0752 -3.0752 -3.0708 -3.0708 -1.6854 -1.6854 -1.6756 -1.6756 -0.5227 -0.5227 -0.5181 -0.5181 -0.1096 -0.1096 -0.0994 -0.0994 0.7831 0.7831 0.7976 0.7976 1.9142 1.9142 1.9166 1.9166 2.4140 2.4140 2.4201 2.4201 k = 0.0000 0.5046 0.1578 ( 4798 PWs) bands (ev): -11.6218 -11.6218 -11.6217 -11.6217 -11.0159 -11.0159 -11.0158 -11.0158 -6.8593 -6.8593 -6.8589 -6.8589 -3.0843 -3.0843 -3.0797 -3.0797 -1.6732 -1.6732 -1.6628 -1.6628 -0.5146 -0.5146 -0.5096 -0.5096 -0.1253 -0.1253 -0.1147 -0.1147 0.7827 0.7827 0.7979 0.7979 1.9122 1.9122 1.9145 1.9145 2.4196 2.4196 2.4258 2.4258 k = 0.0000 0.5046 0.1710 ( 4792 PWs) bands (ev): -11.6214 -11.6214 -11.6214 -11.6214 -11.0164 -11.0164 -11.0163 -11.0163 -6.8580 -6.8580 -6.8577 -6.8577 -3.0924 -3.0924 -3.0876 -3.0876 -1.6622 -1.6622 -1.6513 -1.6513 -0.5066 -0.5066 -0.5012 -0.5012 -0.1402 -0.1402 -0.1293 -0.1293 0.7823 0.7823 0.7981 0.7981 1.9104 1.9104 1.9128 1.9128 2.4246 2.4246 2.4309 2.4309 k = 0.0000 0.5046 0.1841 ( 4792 PWs) bands (ev): -11.6212 -11.6212 -11.6211 -11.6211 -11.0168 -11.0168 -11.0168 -11.0168 -6.8570 -6.8570 -6.8566 -6.8566 -3.0992 -3.0992 -3.0944 -3.0944 -1.6527 -1.6527 -1.6415 -1.6415 -0.4991 -0.4991 -0.4933 -0.4933 -0.1536 -0.1536 -0.1425 -0.1425 0.7820 0.7820 0.7983 0.7983 1.9090 1.9090 1.9113 1.9113 2.4289 2.4289 2.4352 2.4352 k = 0.0000 0.5046 0.1973 ( 4786 PWs) bands (ev): -11.6210 -11.6210 -11.6209 -11.6209 -11.0172 -11.0172 -11.0171 -11.0171 -6.8561 -6.8561 -6.8557 -6.8557 -3.1048 -3.1048 -3.0998 -3.0998 -1.6451 -1.6451 -1.6335 -1.6335 -0.4925 -0.4925 -0.4864 -0.4864 -0.1650 -0.1650 -0.1538 -0.1538 0.7818 0.7818 0.7984 0.7984 1.9079 1.9079 1.9101 1.9101 2.4323 2.4323 2.4387 2.4387 k = 0.0000 0.5046 0.2104 ( 4782 PWs) bands (ev): -11.6208 -11.6208 -11.6207 -11.6207 -11.0174 -11.0174 -11.0174 -11.0174 -6.8555 -6.8555 -6.8551 -6.8551 -3.1088 -3.1088 -3.1038 -3.1038 -1.6395 -1.6395 -1.6277 -1.6277 -0.4873 -0.4873 -0.4810 -0.4810 -0.1738 -0.1738 -0.1624 -0.1624 0.7816 0.7816 0.7985 0.7985 1.9071 1.9071 1.9093 1.9093 2.4348 2.4348 2.4412 2.4412 k = 0.0000 0.5046 0.2236 ( 4786 PWs) bands (ev): -11.6207 -11.6207 -11.6206 -11.6206 -11.0176 -11.0176 -11.0175 -11.0175 -6.8551 -6.8551 -6.8547 -6.8547 -3.1113 -3.1113 -3.1062 -3.1062 -1.6361 -1.6361 -1.6241 -1.6241 -0.4839 -0.4839 -0.4775 -0.4775 -0.1793 -0.1793 -0.1679 -0.1679 0.7815 0.7815 0.7985 0.7985 1.9067 1.9067 1.9088 1.9088 2.4364 2.4364 2.4428 2.4428 k = 0.0000 0.5046 0.2367 ( 4784 PWs) bands (ev): -11.6207 -11.6207 -11.6206 -11.6206 -11.0176 -11.0176 -11.0176 -11.0176 -6.8550 -6.8550 -6.8546 -6.8546 -3.1121 -3.1121 -3.1070 -3.1070 -1.6350 -1.6350 -1.6229 -1.6229 -0.4828 -0.4828 -0.4763 -0.4763 -0.1812 -0.1812 -0.1698 -0.1698 0.7815 0.7815 0.7985 0.7985 1.9065 1.9065 1.9087 1.9087 2.4369 2.4369 2.4433 2.4433 k = 0.0000 0.5046 0.2367 ( 4784 PWs) bands (ev): -11.6207 -11.6207 -11.6206 -11.6206 -11.0176 -11.0176 -11.0176 -11.0176 -6.8550 -6.8550 -6.8546 -6.8546 -3.1121 -3.1121 -3.1070 -3.1070 -1.6350 -1.6350 -1.6229 -1.6229 -0.4828 -0.4828 -0.4763 -0.4763 -0.1812 -0.1812 -0.1698 -0.1698 0.7815 0.7815 0.7985 0.7985 1.9065 1.9065 1.9087 1.9087 2.4369 2.4369 2.4433 2.4433 k = 0.0134 0.5046 0.2367 ( 4782 PWs) bands (ev): -11.6206 -11.6206 -11.6206 -11.6206 -11.0172 -11.0172 -11.0172 -11.0172 -6.8554 -6.8554 -6.8550 -6.8550 -3.1119 -3.1119 -3.1069 -3.1069 -1.6352 -1.6352 -1.6232 -1.6232 -0.4936 -0.4936 -0.4876 -0.4876 -0.1718 -0.1718 -0.1608 -0.1608 0.7804 0.7804 0.7975 0.7975 1.9082 1.9082 1.9104 1.9104 2.4364 2.4364 2.4428 2.4428 k = 0.0267 0.5046 0.2367 ( 4784 PWs) bands (ev): -11.6205 -11.6205 -11.6204 -11.6204 -11.0160 -11.0160 -11.0159 -11.0159 -6.8565 -6.8565 -6.8561 -6.8561 -3.1115 -3.1115 -3.1065 -3.1065 -1.6360 -1.6360 -1.6239 -1.6239 -0.5229 -0.5229 -0.5178 -0.5178 -0.1474 -0.1474 -0.1372 -0.1372 0.7774 0.7774 0.7946 0.7946 1.9132 1.9132 1.9156 1.9156 2.4349 2.4349 2.4413 2.4413 k = 0.0401 0.5046 0.2367 ( 4786 PWs) bands (ev): -11.6202 -11.6202 -11.6202 -11.6202 -11.0139 -11.0139 -11.0139 -11.0139 -6.8585 -6.8585 -6.8580 -6.8580 -3.1108 -3.1108 -3.1058 -3.1058 -1.6372 -1.6372 -1.6252 -1.6252 -0.5646 -0.5646 -0.5604 -0.5604 -0.1145 -0.1145 -0.1051 -0.1051 0.7722 0.7722 0.7897 0.7897 1.9214 1.9214 1.9241 1.9241 2.4327 2.4327 2.4390 2.4390 k = 0.0534 0.5046 0.2367 ( 4794 PWs) bands (ev): -11.6199 -11.6199 -11.6198 -11.6198 -11.0110 -11.0110 -11.0110 -11.0110 -6.8611 -6.8611 -6.8607 -6.8607 -3.1098 -3.1098 -3.1048 -3.1048 -1.6390 -1.6390 -1.6269 -1.6269 -0.6137 -0.6137 -0.6101 -0.6101 -0.0781 -0.0781 -0.0692 -0.0692 0.7651 0.7651 0.7829 0.7829 1.9327 1.9327 1.9358 1.9358 2.4299 2.4299 2.4361 2.4361 k = 0.0668 0.5046 0.2367 ( 4790 PWs) bands (ev): -11.6194 -11.6194 -11.6194 -11.6194 -11.0074 -11.0074 -11.0073 -11.0073 -6.8646 -6.8646 -6.8642 -6.8642 -3.1085 -3.1085 -3.1035 -3.1035 -1.6411 -1.6411 -1.6291 -1.6291 -0.6673 -0.6673 -0.6641 -0.6641 -0.0413 -0.0413 -0.0326 -0.0326 0.7561 0.7561 0.7743 0.7743 1.9469 1.9469 1.9505 1.9505 2.4267 2.4267 2.4328 2.4328 k = 0.0801 0.5046 0.2367 ( 4796 PWs) bands (ev): -11.6189 -11.6189 -11.6189 -11.6189 -11.0029 -11.0029 -11.0028 -11.0028 -6.8688 -6.8688 -6.8683 -6.8683 -3.1070 -3.1070 -3.1020 -3.1020 -1.6438 -1.6438 -1.6318 -1.6318 -0.7233 -0.7233 -0.7204 -0.7204 -0.0057 -0.0057 0.0031 0.0031 0.7452 0.7452 0.7639 0.7639 1.9635 1.9635 1.9678 1.9678 2.4235 2.4235 2.4295 2.4295 k = 0.0935 0.5046 0.2367 ( 4792 PWs) bands (ev): -11.6183 -11.6183 -11.6183 -11.6183 -10.9976 -10.9976 -10.9976 -10.9976 -6.8737 -6.8737 -6.8733 -6.8733 -3.1052 -3.1052 -3.1003 -3.1003 -1.6468 -1.6468 -1.6349 -1.6349 -0.7808 -0.7808 -0.7780 -0.7780 0.0277 0.0277 0.0367 0.0367 0.7324 0.7324 0.7517 0.7517 1.9824 1.9824 1.9873 1.9873 2.4205 2.4205 2.4264 2.4264 k = 0.1068 0.5046 0.2367 ( 4794 PWs) bands (ev): -11.6177 -11.6177 -11.6176 -11.6176 -10.9917 -10.9917 -10.9916 -10.9916 -6.8793 -6.8793 -6.8789 -6.8789 -3.1032 -3.1032 -3.0983 -3.0983 -1.6504 -1.6504 -1.6384 -1.6384 -0.8387 -0.8387 -0.8360 -0.8360 0.0582 0.0582 0.0676 0.0676 0.7179 0.7179 0.7378 0.7378 2.0031 2.0031 2.0088 2.0088 2.4182 2.4182 2.4238 2.4238 k = 0.1202 0.5046 0.2367 ( 4794 PWs) bands (ev): -11.6170 -11.6170 -11.6169 -11.6169 -10.9850 -10.9850 -10.9849 -10.9849 -6.8855 -6.8855 -6.8852 -6.8852 -3.1010 -3.1010 -3.0962 -3.0962 -1.6543 -1.6543 -1.6424 -1.6424 -0.8963 -0.8963 -0.8936 -0.8936 0.0855 0.0855 0.0954 0.0954 0.7017 0.7017 0.7221 0.7221 2.0254 2.0254 2.0318 2.0318 2.4167 2.4167 2.4222 2.4222 k = 0.1335 0.5046 0.2367 ( 4786 PWs) bands (ev): -11.6162 -11.6162 -11.6162 -11.6162 -10.9776 -10.9776 -10.9775 -10.9775 -6.8925 -6.8925 -6.8921 -6.8921 -3.0985 -3.0985 -3.0938 -3.0938 -1.6588 -1.6588 -1.6469 -1.6469 -0.9532 -0.9532 -0.9504 -0.9504 0.1093 0.1093 0.1197 0.1197 0.6838 0.6838 0.7049 0.7049 2.0487 2.0487 2.0559 2.0559 2.4165 2.4165 2.4218 2.4218 k = 0.1469 0.5046 0.2367 ( 4790 PWs) bands (ev): -11.6155 -11.6155 -11.6154 -11.6154 -10.9695 -10.9695 -10.9695 -10.9695 -6.9001 -6.9001 -6.8997 -6.8997 -3.0960 -3.0960 -3.0914 -3.0914 -1.6640 -1.6640 -1.6521 -1.6521 -1.0085 -1.0085 -1.0057 -1.0057 0.1293 0.1293 0.1403 0.1403 0.6643 0.6643 0.6860 0.6860 2.0727 2.0727 2.0807 2.0807 2.4177 2.4177 2.4228 2.4228 k = 0.1602 0.5046 0.2367 ( 4780 PWs) bands (ev): -11.6147 -11.6147 -11.6146 -11.6146 -10.9609 -10.9609 -10.9608 -10.9608 -6.9083 -6.9083 -6.9079 -6.9079 -3.0933 -3.0933 -3.0888 -3.0888 -1.6699 -1.6699 -1.6581 -1.6581 -1.0619 -1.0619 -1.0589 -1.0589 0.1456 0.1456 0.1573 0.1573 0.6433 0.6433 0.6655 0.6655 2.0971 2.0971 2.1057 2.1057 2.4205 2.4205 2.4255 2.4255 k = 0.1736 0.5046 0.2367 ( 4784 PWs) bands (ev): -11.6139 -11.6139 -11.6139 -11.6139 -10.9516 -10.9516 -10.9516 -10.9516 -6.9170 -6.9170 -6.9167 -6.9167 -3.0905 -3.0905 -3.0861 -3.0861 -1.6769 -1.6769 -1.6651 -1.6651 -1.1125 -1.1125 -1.1095 -1.1095 0.1581 0.1581 0.1704 0.1704 0.6207 0.6207 0.6434 0.6434 2.1214 2.1214 2.1306 2.1306 2.4251 2.4251 2.4300 2.4300 k = 0.1869 0.5046 0.2367 ( 4778 PWs) bands (ev): -11.6132 -11.6132 -11.6131 -11.6131 -10.9418 -10.9418 -10.9418 -10.9418 -6.9263 -6.9263 -6.9260 -6.9260 -3.0876 -3.0876 -3.0833 -3.0833 -1.6851 -1.6851 -1.6736 -1.6736 -1.1598 -1.1598 -1.1567 -1.1567 0.1669 0.1669 0.1799 0.1799 0.5967 0.5967 0.6199 0.6199 2.1455 2.1455 2.1551 2.1551 2.4316 2.4316 2.4365 2.4365 k = 0.2003 0.5046 0.2367 ( 4774 PWs) bands (ev): -11.6124 -11.6124 -11.6124 -11.6124 -10.9315 -10.9315 -10.9315 -10.9315 -6.9360 -6.9360 -6.9357 -6.9357 -3.0846 -3.0846 -3.0805 -3.0805 -1.6951 -1.6951 -1.6837 -1.6837 -1.2030 -1.2030 -1.1999 -1.1999 0.1719 0.1719 0.1856 0.1856 0.5714 0.5714 0.5949 0.5949 2.1691 2.1691 2.1789 2.1789 2.4399 2.4399 2.4449 2.4449 k = 0.2136 0.5046 0.2367 ( 4782 PWs) bands (ev): -11.6118 -11.6118 -11.6117 -11.6117 -10.9208 -10.9208 -10.9208 -10.9208 -6.9462 -6.9462 -6.9459 -6.9459 -3.0817 -3.0817 -3.0776 -3.0776 -1.7071 -1.7071 -1.6961 -1.6961 -1.2414 -1.2414 -1.2384 -1.2384 0.1734 0.1734 0.1877 0.1877 0.5449 0.5449 0.5687 0.5687 2.1921 2.1921 2.2018 2.2018 2.4499 2.4499 2.4552 2.4552 k = 0.2270 0.5046 0.2367 ( 4780 PWs) bands (ev): -11.6112 -11.6112 -11.6112 -11.6112 -10.9097 -10.9097 -10.9096 -10.9096 -6.9568 -6.9568 -6.9565 -6.9565 -3.0787 -3.0787 -3.0748 -3.0748 -1.7216 -1.7216 -1.7111 -1.7111 -1.2743 -1.2743 -1.2715 -1.2715 0.1714 0.1714 0.1862 0.1862 0.5175 0.5175 0.5413 0.5413 2.2143 2.2143 2.2237 2.2237 2.4616 2.4616 2.4672 2.4672 k = 0.2403 0.5046 0.2367 ( 4784 PWs) bands (ev): -11.6107 -11.6107 -11.6107 -11.6107 -10.8982 -10.8982 -10.8981 -10.8981 -6.9677 -6.9677 -6.9674 -6.9674 -3.0758 -3.0758 -3.0720 -3.0720 -1.7389 -1.7389 -1.7290 -1.7290 -1.3013 -1.3013 -1.2988 -1.2988 0.1660 0.1660 0.1811 0.1811 0.4894 0.4894 0.5131 0.5131 2.2358 2.2358 2.2448 2.2448 2.4746 2.4746 2.4807 2.4807 k = 0.2537 0.5046 0.2367 ( 4786 PWs) bands (ev): -11.6103 -11.6103 -11.6103 -11.6103 -10.8864 -10.8864 -10.8864 -10.8864 -6.9788 -6.9788 -6.9785 -6.9785 -3.0729 -3.0729 -3.0693 -3.0693 -1.7588 -1.7588 -1.7496 -1.7496 -1.3220 -1.3220 -1.3199 -1.3199 0.1573 0.1573 0.1725 0.1725 0.4609 0.4609 0.4844 0.4844 2.2565 2.2565 2.2649 2.2649 2.4889 2.4889 2.4954 2.4954 k = 0.2670 0.5046 0.2367 ( 4782 PWs) bands (ev): -11.6101 -11.6101 -11.6100 -11.6100 -10.8744 -10.8744 -10.8744 -10.8744 -6.9901 -6.9901 -6.9898 -6.9898 -3.0700 -3.0700 -3.0667 -3.0667 -1.7812 -1.7812 -1.7729 -1.7729 -1.3366 -1.3366 -1.3349 -1.3349 0.1451 0.1451 0.1602 0.1602 0.4326 0.4326 0.4554 0.4554 2.2766 2.2766 2.2842 2.2842 2.5041 2.5041 2.5111 2.5111 k = 0.2804 0.5046 0.2367 ( 4782 PWs) bands (ev): -11.6100 -11.6100 -11.6099 -11.6099 -10.8622 -10.8622 -10.8622 -10.8622 -7.0015 -7.0015 -7.0013 -7.0013 -3.0673 -3.0673 -3.0642 -3.0642 -1.8057 -1.8057 -1.7982 -1.7982 -1.3454 -1.3454 -1.3442 -1.3442 0.1295 0.1295 0.1441 0.1441 0.4050 0.4050 0.4268 0.4268 2.2960 2.2960 2.3028 2.3028 2.5202 2.5202 2.5275 2.5275 k = 0.2937 0.5046 0.2367 ( 4788 PWs) bands (ev): -11.6101 -11.6101 -11.6100 -11.6100 -10.8500 -10.8500 -10.8500 -10.8500 -7.0130 -7.0130 -7.0128 -7.0128 -3.0648 -3.0648 -3.0618 -3.0618 -1.8315 -1.8315 -1.8249 -1.8249 -1.3490 -1.3490 -1.3483 -1.3483 0.1103 0.1103 0.1241 0.1241 0.3787 0.3787 0.3991 0.3991 2.3147 2.3147 2.3206 2.3206 2.5367 2.5367 2.5443 2.5443 k = 0.3071 0.5046 0.2367 ( 4786 PWs) bands (ev): -11.6103 -11.6103 -11.6103 -11.6103 -10.8377 -10.8377 -10.8376 -10.8376 -7.0245 -7.0245 -7.0243 -7.0243 -3.0623 -3.0623 -3.0596 -3.0596 -1.8580 -1.8580 -1.8522 -1.8522 -1.3479 -1.3479 -1.3476 -1.3476 0.0874 0.0874 0.1001 0.1001 0.3541 0.3541 0.3728 0.3728 2.3328 2.3328 2.3378 2.3378 2.5537 2.5537 2.5614 2.5614 k = 0.3204 0.5046 0.2367 ( 4780 PWs) bands (ev): -11.6108 -11.6108 -11.6108 -11.6108 -10.8254 -10.8254 -10.8253 -10.8253 -7.0358 -7.0358 -7.0356 -7.0356 -3.0601 -3.0601 -3.0576 -3.0576 -1.8845 -1.8845 -1.8795 -1.8795 -1.3428 -1.3428 -1.3427 -1.3427 0.0609 0.0609 0.0720 0.0720 0.3318 0.3318 0.3483 0.3483 2.3501 2.3501 2.3544 2.3544 2.5710 2.5710 2.5786 2.5786 k = 0.3338 0.5046 0.2367 ( 4774 PWs) bands (ev): -11.6115 -11.6115 -11.6114 -11.6114 -10.8132 -10.8132 -10.8131 -10.8131 -7.0470 -7.0470 -7.0468 -7.0468 -3.0580 -3.0580 -3.0557 -3.0557 -1.9104 -1.9104 -1.9061 -1.9061 -1.3343 -1.3343 -1.3340 -1.3340 0.0307 0.0307 0.0400 0.0400 0.3119 0.3119 0.3261 0.3261 2.3667 2.3667 2.3703 2.3703 2.5885 2.5885 2.5958 2.5958 k = 0.3471 0.5046 0.2367 ( 4776 PWs) bands (ev): -11.6124 -11.6124 -11.6124 -11.6124 -10.8011 -10.8011 -10.8011 -10.8011 -7.0579 -7.0579 -7.0577 -7.0577 -3.0561 -3.0561 -3.0541 -3.0541 -1.9352 -1.9352 -1.9315 -1.9315 -1.3226 -1.3226 -1.3222 -1.3222 -0.0030 -0.0030 0.0046 0.0046 0.2945 0.2945 0.3064 0.3064 2.3826 2.3826 2.3854 2.3854 2.6059 2.6059 2.6129 2.6129 k = 0.3605 0.5046 0.2367 ( 4776 PWs) bands (ev): -11.6135 -11.6135 -11.6135 -11.6135 -10.7893 -10.7893 -10.7893 -10.7893 -7.0684 -7.0684 -7.0683 -7.0683 -3.0544 -3.0544 -3.0527 -3.0527 -1.9585 -1.9585 -1.9555 -1.9555 -1.3081 -1.3081 -1.3076 -1.3076 -0.0398 -0.0398 -0.0339 -0.0339 0.2797 0.2797 0.2892 0.2892 2.3975 2.3975 2.3998 2.3998 2.6233 2.6233 2.6297 2.6297 k = 0.3738 0.5046 0.2367 ( 4786 PWs) bands (ev): -11.6150 -11.6150 -11.6149 -11.6149 -10.7777 -10.7777 -10.7777 -10.7777 -7.0785 -7.0785 -7.0784 -7.0784 -3.0530 -3.0530 -3.0515 -3.0515 -1.9800 -1.9800 -1.9776 -1.9776 -1.2911 -1.2911 -1.2905 -1.2905 -0.0793 -0.0793 -0.0750 -0.0750 0.2672 0.2672 0.2746 0.2746 2.4115 2.4115 2.4132 2.4132 2.6405 2.6405 2.6461 2.6461 k = 0.3872 0.5046 0.2367 ( 4784 PWs) bands (ev): -11.6166 -11.6166 -11.6166 -11.6166 -10.7666 -10.7666 -10.7665 -10.7665 -7.0881 -7.0881 -7.0880 -7.0880 -3.0517 -3.0517 -3.0505 -3.0505 -1.9995 -1.9995 -1.9976 -1.9976 -1.2718 -1.2718 -1.2712 -1.2712 -0.1211 -0.1211 -0.1181 -0.1181 0.2569 0.2569 0.2624 0.2624 2.4244 2.4244 2.4258 2.4258 2.6575 2.6575 2.6622 2.6622 k = 0.4005 0.5046 0.2367 ( 4786 PWs) bands (ev): -11.6186 -11.6186 -11.6186 -11.6186 -10.7558 -10.7558 -10.7558 -10.7558 -7.0971 -7.0971 -7.0971 -7.0971 -3.0506 -3.0506 -3.0497 -3.0497 -2.0168 -2.0168 -2.0154 -2.0154 -1.2504 -1.2504 -1.2499 -1.2499 -0.1647 -0.1647 -0.1627 -0.1627 0.2488 0.2488 0.2526 0.2526 2.4363 2.4363 2.4372 2.4372 2.6740 2.6740 2.6776 2.6776 k = 0.4139 0.5046 0.2367 ( 4794 PWs) bands (ev): -11.6208 -11.6208 -11.6208 -11.6208 -10.7455 -10.7455 -10.7455 -10.7455 -7.1055 -7.1055 -7.1054 -7.1054 -3.0497 -3.0497 -3.0491 -3.0491 -2.0316 -2.0316 -2.0307 -2.0307 -1.2271 -1.2271 -1.2268 -1.2268 -0.2096 -0.2096 -0.2085 -0.2085 0.2427 0.2427 0.2451 0.2451 2.4471 2.4471 2.4476 2.4476 2.6899 2.6899 2.6924 2.6924 k = 0.4272 0.5046 0.2367 ( 4794 PWs) bands (ev): -11.6234 -11.6234 -11.6233 -11.6233 -10.7358 -10.7358 -10.7358 -10.7358 -7.1131 -7.1131 -7.1131 -7.1131 -3.0490 -3.0490 -3.0487 -3.0487 -2.0440 -2.0440 -2.0436 -2.0436 -1.2022 -1.2022 -1.2020 -1.2020 -0.2555 -0.2555 -0.2550 -0.2550 0.2386 0.2386 0.2397 0.2397 2.4566 2.4566 2.4569 2.4569 2.7052 2.7052 2.7065 2.7065 k = 0.4406 0.5046 0.2367 ( 4794 PWs) bands (ev): -11.6262 -11.6262 -11.6262 -11.6262 -10.7266 -10.7266 -10.7266 -10.7266 -7.1199 -7.1199 -7.1199 -7.1199 -3.0484 -3.0484 -3.0484 -3.0484 -2.0539 -2.0539 -2.0539 -2.0539 -1.1758 -1.1758 -1.1758 -1.1758 -0.3018 -0.3018 -0.3018 -0.3018 0.2365 0.2365 0.2365 0.2365 2.4650 2.4650 2.4650 2.4650 2.7195 2.7195 2.7195 2.7195 k = 0.4406 0.5046 0.2367 ( 4794 PWs) bands (ev): -11.6262 -11.6262 -11.6262 -11.6262 -10.7266 -10.7266 -10.7266 -10.7266 -7.1199 -7.1199 -7.1199 -7.1199 -3.0484 -3.0484 -3.0484 -3.0484 -2.0539 -2.0539 -2.0539 -2.0539 -1.1758 -1.1758 -1.1758 -1.1758 -0.3018 -0.3018 -0.3018 -0.3018 0.2365 0.2365 0.2365 0.2365 2.4650 2.4650 2.4650 2.4650 2.7195 2.7195 2.7195 2.7195 k = 0.4318 0.4945 0.2367 ( 4790 PWs) bands (ev): -11.6214 -11.6214 -11.6214 -11.6214 -10.7409 -10.7409 -10.7409 -10.7409 -7.1096 -7.1096 -7.1096 -7.1096 -3.0491 -3.0491 -3.0491 -3.0491 -2.0396 -2.0396 -2.0396 -2.0396 -1.2151 -1.2151 -1.2151 -1.2151 -0.2305 -0.2305 -0.2305 -0.2305 0.2393 0.2393 0.2393 0.2393 2.4519 2.4519 2.4519 2.4519 2.6993 2.6993 2.6993 2.6993 k = 0.4230 0.4844 0.2367 ( 4790 PWs) bands (ev): -11.6162 -11.6162 -11.6162 -11.6162 -10.7566 -10.7566 -10.7566 -10.7566 -7.0981 -7.0981 -7.0981 -7.0981 -3.0502 -3.0502 -3.0502 -3.0502 -2.0233 -2.0233 -2.0233 -2.0233 -1.2506 -1.2506 -1.2506 -1.2506 -0.1592 -0.1592 -0.1592 -0.1592 0.2425 0.2425 0.2425 0.2425 2.4358 2.4358 2.4358 2.4358 2.6795 2.6795 2.6795 2.6795 k = 0.4142 0.4743 0.2367 ( 4788 PWs) bands (ev): -11.6106 -11.6106 -11.6106 -11.6106 -10.7736 -10.7736 -10.7736 -10.7736 -7.0857 -7.0857 -7.0857 -7.0857 -3.0517 -3.0517 -3.0517 -3.0517 -2.0051 -2.0051 -2.0051 -2.0051 -1.2821 -1.2821 -1.2821 -1.2821 -0.0887 -0.0887 -0.0887 -0.0887 0.2460 0.2460 0.2460 0.2460 2.4166 2.4166 2.4166 2.4166 2.6608 2.6608 2.6608 2.6608 k = 0.4053 0.4642 0.2367 ( 4796 PWs) bands (ev): -11.6048 -11.6048 -11.6048 -11.6048 -10.7917 -10.7917 -10.7917 -10.7917 -7.0725 -7.0725 -7.0725 -7.0725 -3.0537 -3.0537 -3.0537 -3.0537 -1.9850 -1.9850 -1.9850 -1.9850 -1.3095 -1.3095 -1.3095 -1.3095 -0.0193 -0.0193 -0.0193 -0.0193 0.2499 0.2499 0.2499 0.2499 2.3944 2.3944 2.3944 2.3944 2.6437 2.6437 2.6437 2.6437 k = 0.3965 0.4541 0.2367 ( 4780 PWs) bands (ev): -11.5988 -11.5988 -11.5988 -11.5988 -10.8106 -10.8106 -10.8106 -10.8106 -7.0586 -7.0586 -7.0586 -7.0586 -3.0561 -3.0561 -3.0561 -3.0561 -1.9630 -1.9630 -1.9630 -1.9630 -1.3327 -1.3327 -1.3327 -1.3327 0.0482 0.0482 0.0482 0.0482 0.2543 0.2543 0.2543 0.2543 2.3700 2.3700 2.3700 2.3700 2.6282 2.6282 2.6282 2.6282 k = 0.3877 0.4441 0.2367 ( 4784 PWs) bands (ev): -11.5928 -11.5928 -11.5928 -11.5928 -10.8301 -10.8301 -10.8301 -10.8301 -7.0442 -7.0442 -7.0442 -7.0442 -3.0590 -3.0590 -3.0590 -3.0590 -1.9392 -1.9392 -1.9392 -1.9392 -1.3519 -1.3519 -1.3519 -1.3519 0.1132 0.1132 0.1132 0.1132 0.2593 0.2593 0.2593 0.2593 2.3440 2.3440 2.3440 2.3440 2.6141 2.6141 2.6141 2.6141 k = 0.3789 0.4340 0.2367 ( 4792 PWs) bands (ev): -11.5869 -11.5869 -11.5869 -11.5869 -10.8499 -10.8499 -10.8499 -10.8499 -7.0294 -7.0294 -7.0294 -7.0294 -3.0622 -3.0622 -3.0622 -3.0622 -1.9134 -1.9134 -1.9134 -1.9134 -1.3672 -1.3672 -1.3672 -1.3672 0.1745 0.1745 0.1745 0.1745 0.2655 0.2655 0.2655 0.2655 2.3176 2.3176 2.3176 2.3176 2.6011 2.6011 2.6011 2.6011 k = 0.3701 0.4239 0.2367 ( 4782 PWs) bands (ev): -11.5814 -11.5814 -11.5814 -11.5814 -10.8697 -10.8697 -10.8697 -10.8697 -7.0143 -7.0143 -7.0143 -7.0143 -3.0657 -3.0657 -3.0657 -3.0657 -1.8858 -1.8858 -1.8858 -1.8858 -1.3787 -1.3787 -1.3787 -1.3787 0.2283 0.2283 0.2283 0.2283 0.2765 0.2765 0.2765 0.2765 2.2915 2.2915 2.2915 2.2915 2.5888 2.5888 2.5888 2.5888 k = 0.3613 0.4138 0.2367 ( 4788 PWs) bands (ev): -11.5764 -11.5764 -11.5764 -11.5764 -10.8891 -10.8891 -10.8891 -10.8891 -6.9991 -6.9991 -6.9991 -6.9991 -3.0694 -3.0694 -3.0694 -3.0694 -1.8564 -1.8564 -1.8564 -1.8564 -1.3869 -1.3869 -1.3869 -1.3869 0.2587 0.2587 0.2587 0.2587 0.3074 0.3074 0.3074 0.3074 2.2668 2.2668 2.2668 2.2668 2.5770 2.5770 2.5770 2.5770 k = 0.3525 0.4037 0.2367 ( 4786 PWs) bands (ev): -11.5722 -11.5722 -11.5722 -11.5722 -10.9080 -10.9080 -10.9080 -10.9080 -6.9839 -6.9839 -6.9839 -6.9839 -3.0730 -3.0730 -3.0730 -3.0730 -1.8252 -1.8252 -1.8252 -1.8252 -1.3920 -1.3920 -1.3920 -1.3920 0.2693 0.2693 0.2693 0.2693 0.3545 0.3545 0.3545 0.3545 2.2443 2.2443 2.2443 2.2443 2.5652 2.5652 2.5652 2.5652 k = 0.3437 0.3936 0.2367 ( 4788 PWs) bands (ev): -11.5691 -11.5691 -11.5691 -11.5691 -10.9258 -10.9258 -10.9258 -10.9258 -6.9688 -6.9688 -6.9688 -6.9688 -3.0765 -3.0765 -3.0765 -3.0765 -1.7922 -1.7922 -1.7922 -1.7922 -1.3945 -1.3945 -1.3945 -1.3945 0.2759 0.2759 0.2759 0.2759 0.4014 0.4014 0.4014 0.4014 2.2245 2.2245 2.2245 2.2245 2.5533 2.5533 2.5533 2.5533 k = 0.3349 0.3835 0.2367 ( 4792 PWs) bands (ev): -11.5673 -11.5673 -11.5673 -11.5673 -10.9422 -10.9422 -10.9422 -10.9422 -6.9540 -6.9540 -6.9540 -6.9540 -3.0795 -3.0795 -3.0795 -3.0795 -1.7575 -1.7575 -1.7575 -1.7575 -1.3949 -1.3949 -1.3949 -1.3949 0.2816 0.2816 0.2816 0.2816 0.4451 0.4451 0.4451 0.4451 2.2079 2.2079 2.2079 2.2079 2.5411 2.5411 2.5411 2.5411 k = 0.3260 0.3734 0.2367 ( 4784 PWs) bands (ev): -11.5671 -11.5671 -11.5671 -11.5671 -10.9568 -10.9568 -10.9568 -10.9568 -6.9395 -6.9395 -6.9395 -6.9395 -3.0821 -3.0821 -3.0821 -3.0821 -1.7210 -1.7210 -1.7210 -1.7210 -1.3935 -1.3935 -1.3935 -1.3935 0.2870 0.2870 0.2870 0.2870 0.4848 0.4848 0.4848 0.4848 2.1947 2.1947 2.1947 2.1947 2.5287 2.5287 2.5287 2.5287 k = 0.3172 0.3633 0.2367 ( 4784 PWs) bands (ev): -11.5688 -11.5688 -11.5688 -11.5688 -10.9694 -10.9694 -10.9694 -10.9694 -6.9254 -6.9254 -6.9254 -6.9254 -3.0839 -3.0839 -3.0839 -3.0839 -1.6829 -1.6829 -1.6829 -1.6829 -1.3910 -1.3910 -1.3910 -1.3910 0.2922 0.2922 0.2922 0.2922 0.5203 0.5203 0.5203 0.5203 2.1848 2.1848 2.1848 2.1848 2.5160 2.5160 2.5160 2.5160 k = 0.3084 0.3532 0.2367 ( 4784 PWs) bands (ev): -11.5725 -11.5725 -11.5725 -11.5725 -10.9796 -10.9796 -10.9796 -10.9796 -6.9119 -6.9119 -6.9119 -6.9119 -3.0848 -3.0848 -3.0848 -3.0848 -1.6432 -1.6432 -1.6432 -1.6432 -1.3877 -1.3877 -1.3877 -1.3877 0.2973 0.2973 0.2973 0.2973 0.5519 0.5519 0.5519 0.5519 2.1782 2.1782 2.1782 2.1782 2.5032 2.5032 2.5032 2.5032 k = 0.2996 0.3431 0.2367 ( 4784 PWs) bands (ev): -11.5785 -11.5785 -11.5785 -11.5785 -10.9871 -10.9871 -10.9871 -10.9871 -6.8989 -6.8989 -6.8989 -6.8989 -3.0846 -3.0846 -3.0846 -3.0846 -1.6019 -1.6019 -1.6019 -1.6019 -1.3843 -1.3843 -1.3843 -1.3843 0.3022 0.3022 0.3022 0.3022 0.5798 0.5798 0.5798 0.5798 2.1742 2.1742 2.1742 2.1742 2.4905 2.4905 2.4905 2.4905 k = 0.2908 0.3330 0.2367 ( 4786 PWs) bands (ev): -11.5869 -11.5869 -11.5869 -11.5869 -10.9919 -10.9919 -10.9919 -10.9919 -6.8867 -6.8867 -6.8867 -6.8867 -3.0832 -3.0832 -3.0832 -3.0832 -1.5592 -1.5592 -1.5592 -1.5592 -1.3810 -1.3810 -1.3810 -1.3810 0.3070 0.3070 0.3070 0.3070 0.6044 0.6044 0.6044 0.6044 2.1723 2.1723 2.1723 2.1723 2.4783 2.4783 2.4783 2.4783 k = 0.2820 0.3229 0.2367 ( 4790 PWs) bands (ev): -11.5976 -11.5976 -11.5976 -11.5976 -10.9938 -10.9938 -10.9938 -10.9938 -6.8751 -6.8751 -6.8751 -6.8751 -3.0805 -3.0805 -3.0805 -3.0805 -1.5150 -1.5150 -1.5150 -1.5150 -1.3783 -1.3783 -1.3783 -1.3783 0.3117 0.3117 0.3117 0.3117 0.6262 0.6262 0.6262 0.6262 2.1715 2.1715 2.1715 2.1715 2.4670 2.4670 2.4671 2.4671 k = 0.2732 0.3129 0.2367 ( 4794 PWs) bands (ev): -11.6104 -11.6104 -11.6104 -11.6104 -10.9930 -10.9930 -10.9930 -10.9930 -6.8643 -6.8643 -6.8643 -6.8643 -3.0765 -3.0765 -3.0765 -3.0765 -1.4697 -1.4697 -1.4697 -1.4697 -1.3762 -1.3762 -1.3762 -1.3762 0.3162 0.3162 0.3162 0.3162 0.6455 0.6455 0.6455 0.6455 2.1709 2.1709 2.1709 2.1709 2.4573 2.4573 2.4573 2.4573 k = 0.2644 0.3028 0.2367 ( 4800 PWs) bands (ev): -11.6254 -11.6254 -11.6254 -11.6254 -10.9896 -10.9896 -10.9896 -10.9896 -6.8542 -6.8542 -6.8542 -6.8542 -3.0711 -3.0711 -3.0711 -3.0711 -1.4243 -1.4243 -1.4243 -1.4243 -1.3739 -1.3739 -1.3739 -1.3739 0.3206 0.3206 0.3206 0.3206 0.6628 0.6628 0.6628 0.6628 2.1698 2.1698 2.1698 2.1698 2.4496 2.4496 2.4496 2.4496 k = 0.2555 0.2927 0.2367 ( 4794 PWs) bands (ev): -11.6421 -11.6421 -11.6421 -11.6421 -10.9838 -10.9838 -10.9838 -10.9838 -6.8450 -6.8450 -6.8450 -6.8450 -3.0643 -3.0643 -3.0643 -3.0643 -1.3895 -1.3895 -1.3895 -1.3895 -1.3611 -1.3611 -1.3611 -1.3611 0.3247 0.3247 0.3247 0.3247 0.6782 0.6782 0.6782 0.6782 2.1674 2.1674 2.1674 2.1674 2.4443 2.4443 2.4443 2.4443 k = 0.2467 0.2826 0.2367 ( 4794 PWs) bands (ev): -11.6604 -11.6604 -11.6604 -11.6604 -10.9758 -10.9758 -10.9758 -10.9758 -6.8365 -6.8365 -6.8365 -6.8365 -3.0563 -3.0563 -3.0563 -3.0563 -1.3846 -1.3846 -1.3846 -1.3846 -1.3186 -1.3186 -1.3186 -1.3186 0.3286 0.3286 0.3286 0.3286 0.6919 0.6919 0.6919 0.6919 2.1634 2.1634 2.1634 2.1634 2.4417 2.4417 2.4417 2.4417 k = 0.2379 0.2725 0.2367 ( 4798 PWs) bands (ev): -11.6800 -11.6800 -11.6800 -11.6800 -10.9659 -10.9659 -10.9659 -10.9659 -6.8288 -6.8288 -6.8288 -6.8288 -3.0469 -3.0469 -3.0469 -3.0469 -1.3870 -1.3870 -1.3870 -1.3870 -1.2687 -1.2687 -1.2687 -1.2687 0.3323 0.3323 0.3323 0.3323 0.7037 0.7037 0.7037 0.7037 2.1579 2.1579 2.1579 2.1579 2.4415 2.4415 2.4415 2.4415 k = 0.2291 0.2624 0.2367 ( 4806 PWs) bands (ev): -11.7005 -11.7005 -11.7005 -11.7005 -10.9544 -10.9544 -10.9544 -10.9544 -6.8218 -6.8218 -6.8218 -6.8218 -3.0365 -3.0365 -3.0365 -3.0365 -1.3914 -1.3914 -1.3914 -1.3914 -1.2168 -1.2168 -1.2168 -1.2168 0.3358 0.3358 0.3358 0.3358 0.7133 0.7133 0.7133 0.7133 2.1517 2.1517 2.1517 2.1517 2.4433 2.4433 2.4433 2.4433 k = 0.2203 0.2523 0.2367 ( 4806 PWs) bands (ev): -11.7218 -11.7218 -11.7218 -11.7218 -10.9415 -10.9415 -10.9415 -10.9415 -6.8156 -6.8156 -6.8156 -6.8156 -3.0251 -3.0251 -3.0251 -3.0251 -1.3969 -1.3969 -1.3969 -1.3969 -1.1636 -1.1636 -1.1636 -1.1636 0.3389 0.3389 0.3389 0.3389 0.7203 0.7203 0.7203 0.7203 2.1455 2.1455 2.1455 2.1455 2.4463 2.4463 2.4463 2.4463 k = 0.2115 0.2422 0.2367 ( 4786 PWs) bands (ev): -11.7436 -11.7436 -11.7436 -11.7436 -10.9275 -10.9275 -10.9275 -10.9275 -6.8101 -6.8101 -6.8101 -6.8101 -3.0130 -3.0130 -3.0130 -3.0130 -1.4029 -1.4029 -1.4029 -1.4029 -1.1093 -1.1093 -1.1093 -1.1093 0.3418 0.3418 0.3418 0.3418 0.7240 0.7240 0.7240 0.7240 2.1405 2.1405 2.1405 2.1405 2.4442 2.4442 2.4442 2.4442 k = 0.2027 0.2321 0.2367 ( 4786 PWs) bands (ev): -11.7655 -11.7655 -11.7655 -11.7655 -10.9126 -10.9126 -10.9126 -10.9126 -6.8052 -6.8052 -6.8052 -6.8052 -3.0005 -3.0005 -3.0005 -3.0005 -1.4089 -1.4089 -1.4089 -1.4089 -1.0541 -1.0541 -1.0541 -1.0541 0.3444 0.3444 0.3444 0.3444 0.7238 0.7238 0.7238 0.7238 2.1378 2.1378 2.1378 2.1378 2.4145 2.4145 2.4145 2.4145 k = 0.1939 0.2220 0.2367 ( 4786 PWs) bands (ev): -11.7876 -11.7876 -11.7876 -11.7876 -10.8971 -10.8971 -10.8971 -10.8971 -6.8010 -6.8010 -6.8010 -6.8010 -2.9878 -2.9878 -2.9878 -2.9878 -1.4143 -1.4143 -1.4143 -1.4143 -0.9980 -0.9980 -0.9980 -0.9980 0.3467 0.3467 0.3467 0.3467 0.7189 0.7189 0.7189 0.7189 2.1383 2.1383 2.1383 2.1383 2.3792 2.3792 2.3792 2.3792 k = 0.1850 0.2119 0.2367 ( 4796 PWs) bands (ev): -11.8095 -11.8095 -11.8095 -11.8095 -10.8810 -10.8810 -10.8810 -10.8810 -6.7973 -6.7973 -6.7973 -6.7973 -2.9752 -2.9752 -2.9752 -2.9752 -1.4187 -1.4187 -1.4187 -1.4187 -0.9413 -0.9413 -0.9413 -0.9413 0.3486 0.3486 0.3486 0.3486 0.7085 0.7085 0.7085 0.7085 2.1430 2.1430 2.1430 2.1430 2.3427 2.3427 2.3427 2.3427 k = 0.1762 0.2018 0.2367 ( 4784 PWs) bands (ev): -11.8311 -11.8311 -11.8311 -11.8311 -10.8646 -10.8646 -10.8646 -10.8646 -6.7941 -6.7941 -6.7941 -6.7941 -2.9630 -2.9630 -2.9630 -2.9630 -1.4213 -1.4213 -1.4213 -1.4213 -0.8840 -0.8840 -0.8840 -0.8840 0.3502 0.3502 0.3502 0.3502 0.6923 0.6923 0.6923 0.6923 2.1524 2.1524 2.1524 2.1524 2.3055 2.3055 2.3055 2.3055 k = 0.1674 0.1918 0.2367 ( 4784 PWs) bands (ev): -11.8524 -11.8524 -11.8524 -11.8524 -10.8481 -10.8481 -10.8481 -10.8481 -6.7914 -6.7914 -6.7914 -6.7914 -2.9515 -2.9515 -2.9515 -2.9515 -1.4216 -1.4216 -1.4216 -1.4216 -0.8262 -0.8262 -0.8262 -0.8262 0.3514 0.3514 0.3514 0.3514 0.6698 0.6698 0.6698 0.6698 2.1666 2.1666 2.1666 2.1666 2.2678 2.2678 2.2678 2.2678 k = 0.1586 0.1817 0.2367 ( 4790 PWs) bands (ev): -11.8730 -11.8730 -11.8730 -11.8730 -10.8316 -10.8316 -10.8316 -10.8316 -6.7891 -6.7891 -6.7891 -6.7891 -2.9411 -2.9411 -2.9411 -2.9411 -1.4190 -1.4190 -1.4190 -1.4190 -0.7682 -0.7682 -0.7682 -0.7682 0.3523 0.3523 0.3523 0.3523 0.6409 0.6409 0.6409 0.6409 2.1843 2.1843 2.1843 2.1843 2.2310 2.2310 2.2310 2.2310 k = 0.1498 0.1716 0.2367 ( 4794 PWs) bands (ev): -11.8931 -11.8931 -11.8931 -11.8931 -10.8152 -10.8152 -10.8152 -10.8152 -6.7871 -6.7871 -6.7871 -6.7871 -2.9319 -2.9319 -2.9319 -2.9319 -1.4131 -1.4131 -1.4131 -1.4131 -0.7100 -0.7100 -0.7100 -0.7100 0.3527 0.3527 0.3527 0.3527 0.6058 0.6058 0.6058 0.6058 2.1820 2.1820 2.1820 2.1820 2.2186 2.2186 2.2186 2.2186 k = 0.1410 0.1615 0.2367 ( 4782 PWs) bands (ev): -11.9123 -11.9123 -11.9123 -11.9123 -10.7991 -10.7991 -10.7991 -10.7991 -6.7855 -6.7855 -6.7855 -6.7855 -2.9243 -2.9243 -2.9243 -2.9243 -1.4033 -1.4033 -1.4033 -1.4033 -0.6519 -0.6519 -0.6519 -0.6519 0.3526 0.3526 0.3526 0.3526 0.5648 0.5648 0.5648 0.5648 2.1456 2.1456 2.1456 2.1456 2.2438 2.2438 2.2438 2.2438 k = 0.1322 0.1514 0.2367 ( 4786 PWs) bands (ev): -11.9308 -11.9308 -11.9308 -11.9308 -10.7834 -10.7834 -10.7834 -10.7834 -6.7841 -6.7841 -6.7841 -6.7841 -2.9183 -2.9183 -2.9183 -2.9183 -1.3894 -1.3894 -1.3894 -1.3894 -0.5941 -0.5941 -0.5941 -0.5941 0.3519 0.3519 0.3519 0.3519 0.5187 0.5187 0.5187 0.5187 2.1061 2.1061 2.1061 2.1061 2.2752 2.2752 2.2752 2.2752 k = 0.1234 0.1413 0.2367 ( 4778 PWs) bands (ev): -11.9483 -11.9483 -11.9483 -11.9483 -10.7682 -10.7682 -10.7682 -10.7682 -6.7830 -6.7830 -6.7830 -6.7830 -2.9140 -2.9140 -2.9140 -2.9140 -1.3710 -1.3710 -1.3710 -1.3710 -0.5368 -0.5368 -0.5368 -0.5368 0.3500 0.3500 0.3500 0.3500 0.4683 0.4683 0.4683 0.4683 2.0660 2.0660 2.0660 2.0660 2.3088 2.3088 2.3088 2.3088 k = 0.1146 0.1312 0.2367 ( 4782 PWs) bands (ev): -11.9649 -11.9649 -11.9649 -11.9649 -10.7536 -10.7536 -10.7536 -10.7536 -6.7820 -6.7820 -6.7820 -6.7820 -2.9114 -2.9114 -2.9114 -2.9114 -1.3482 -1.3482 -1.3482 -1.3482 -0.4802 -0.4802 -0.4802 -0.4802 0.3451 0.3451 0.3451 0.3451 0.4161 0.4161 0.4161 0.4161 2.0258 2.0258 2.0258 2.0258 2.3423 2.3423 2.3423 2.3423 k = 0.1057 0.1211 0.2367 ( 4782 PWs) bands (ev): -11.9805 -11.9805 -11.9805 -11.9805 -10.7397 -10.7397 -10.7397 -10.7397 -6.7812 -6.7812 -6.7812 -6.7812 -2.9104 -2.9104 -2.9104 -2.9104 -1.3208 -1.3208 -1.3208 -1.3208 -0.4247 -0.4247 -0.4247 -0.4247 0.3262 0.3262 0.3262 0.3262 0.3740 0.3740 0.3740 0.3740 1.9860 1.9860 1.9860 1.9860 2.3724 2.3724 2.3724 2.3724 k = 0.0969 0.1110 0.2367 ( 4786 PWs) bands (ev): -11.9950 -11.9950 -11.9950 -11.9950 -10.7266 -10.7266 -10.7266 -10.7266 -6.7806 -6.7806 -6.7806 -6.7806 -2.9109 -2.9109 -2.9109 -2.9109 -1.2890 -1.2890 -1.2890 -1.2890 -0.3705 -0.3705 -0.3705 -0.3705 0.2768 0.2768 0.2768 0.2768 0.3590 0.3590 0.3590 0.3590 1.9468 1.9468 1.9468 1.9468 2.3953 2.3953 2.3953 2.3953 k = 0.0881 0.1009 0.2367 ( 4792 PWs) bands (ev): -12.0083 -12.0083 -12.0083 -12.0083 -10.7144 -10.7144 -10.7144 -10.7144 -6.7800 -6.7800 -6.7800 -6.7800 -2.9126 -2.9126 -2.9126 -2.9126 -1.2531 -1.2531 -1.2531 -1.2531 -0.3179 -0.3179 -0.3179 -0.3179 0.2149 0.2149 0.2149 0.2149 0.3536 0.3536 0.3536 0.3536 1.9086 1.9086 1.9086 1.9086 2.4094 2.4094 2.4094 2.4094 k = 0.0793 0.0908 0.2367 ( 4794 PWs) bands (ev): -12.0205 -12.0205 -12.0205 -12.0205 -10.7031 -10.7031 -10.7031 -10.7031 -6.7796 -6.7796 -6.7796 -6.7796 -2.9154 -2.9154 -2.9154 -2.9154 -1.2135 -1.2135 -1.2135 -1.2135 -0.2675 -0.2675 -0.2675 -0.2675 0.1496 0.1496 0.1496 0.1496 0.3498 0.3498 0.3498 0.3498 1.8718 1.8718 1.8718 1.8718 2.4164 2.4164 2.4164 2.4164 k = 0.0705 0.0807 0.2367 ( 4798 PWs) bands (ev): -12.0315 -12.0315 -12.0315 -12.0315 -10.6928 -10.6928 -10.6928 -10.6928 -6.7792 -6.7792 -6.7792 -6.7792 -2.9188 -2.9188 -2.9188 -2.9188 -1.1706 -1.1706 -1.1706 -1.1706 -0.2197 -0.2197 -0.2197 -0.2197 0.0828 0.0828 0.0828 0.0828 0.3462 0.3462 0.3462 0.3462 1.8369 1.8369 1.8369 1.8369 2.4191 2.4191 2.4191 2.4191 k = 0.0617 0.0706 0.2367 ( 4798 PWs) bands (ev): -12.0413 -12.0413 -12.0413 -12.0413 -10.6835 -10.6835 -10.6835 -10.6835 -6.7789 -6.7789 -6.7789 -6.7789 -2.9227 -2.9227 -2.9227 -2.9227 -1.1252 -1.1252 -1.1252 -1.1252 -0.1750 -0.1750 -0.1750 -0.1750 0.0160 0.0160 0.0160 0.0160 0.3424 0.3424 0.3424 0.3424 1.8043 1.8043 1.8043 1.8043 2.4196 2.4196 2.4196 2.4196 k = 0.0529 0.0606 0.2367 ( 4798 PWs) bands (ev): -12.0498 -12.0498 -12.0498 -12.0498 -10.6754 -10.6754 -10.6754 -10.6754 -6.7786 -6.7786 -6.7786 -6.7786 -2.9267 -2.9267 -2.9267 -2.9267 -1.0781 -1.0781 -1.0781 -1.0781 -0.1344 -0.1344 -0.1344 -0.1344 -0.0494 -0.0494 -0.0494 -0.0494 0.3384 0.3384 0.3384 0.3384 1.7745 1.7745 1.7745 1.7745 2.4190 2.4190 2.4190 2.4190 k = 0.0441 0.0505 0.2367 ( 4798 PWs) bands (ev): -12.0571 -12.0571 -12.0571 -12.0571 -10.6685 -10.6685 -10.6685 -10.6685 -6.7784 -6.7784 -6.7784 -6.7784 -2.9305 -2.9305 -2.9305 -2.9305 -1.0306 -1.0306 -1.0306 -1.0306 -0.1186 -0.1186 -0.1186 -0.1186 -0.0920 -0.0920 -0.0920 -0.0920 0.3342 0.3342 0.3342 0.3342 1.7481 1.7481 1.7481 1.7481 2.4179 2.4179 2.4179 2.4179 k = 0.0352 0.0404 0.2367 ( 4818 PWs) bands (ev): -12.0630 -12.0630 -12.0630 -12.0630 -10.6627 -10.6627 -10.6627 -10.6627 -6.7783 -6.7783 -6.7783 -6.7783 -2.9340 -2.9340 -2.9340 -2.9340 -0.9843 -0.9843 -0.9843 -0.9843 -0.1748 -0.1748 -0.1748 -0.1748 -0.0635 -0.0635 -0.0635 -0.0635 0.3299 0.3299 0.3299 0.3299 1.7255 1.7255 1.7255 1.7255 2.4167 2.4167 2.4167 2.4167 k = 0.0264 0.0303 0.2367 ( 4806 PWs) bands (ev): -12.0677 -12.0677 -12.0677 -12.0677 -10.6582 -10.6582 -10.6582 -10.6582 -6.7781 -6.7781 -6.7781 -6.7781 -2.9370 -2.9370 -2.9370 -2.9370 -0.9416 -0.9416 -0.9416 -0.9416 -0.2275 -0.2275 -0.2275 -0.2275 -0.0377 -0.0377 -0.0377 -0.0377 0.3260 0.3260 0.3260 0.3260 1.7074 1.7074 1.7074 1.7074 2.4155 2.4155 2.4155 2.4155 k = 0.0176 0.0202 0.2367 ( 4808 PWs) bands (ev): -12.0710 -12.0710 -12.0710 -12.0710 -10.6550 -10.6550 -10.6550 -10.6550 -6.7780 -6.7780 -6.7780 -6.7780 -2.9392 -2.9392 -2.9392 -2.9392 -0.9060 -0.9060 -0.9060 -0.9060 -0.2704 -0.2704 -0.2704 -0.2704 -0.0183 -0.0183 -0.0183 -0.0183 0.3227 0.3227 0.3227 0.3227 1.6941 1.6941 1.6941 1.6941 2.4146 2.4146 2.4146 2.4146 k = 0.0088 0.0101 0.2367 ( 4812 PWs) bands (ev): -12.0730 -12.0730 -12.0730 -12.0730 -10.6531 -10.6531 -10.6531 -10.6531 -6.7780 -6.7780 -6.7780 -6.7780 -2.9406 -2.9406 -2.9406 -2.9406 -0.8818 -0.8818 -0.8818 -0.8818 -0.2991 -0.2991 -0.2991 -0.2991 -0.0062 -0.0062 -0.0062 -0.0062 0.3205 0.3205 0.3205 0.3205 1.6859 1.6859 1.6859 1.6859 2.4140 2.4140 2.4140 2.4140 k = 0.0000 0.0000 0.2367 ( 4818 PWs) bands (ev): -12.0737 -12.0737 -12.0737 -12.0737 -10.6524 -10.6524 -10.6524 -10.6524 -6.7780 -6.7780 -6.7780 -6.7780 -2.9411 -2.9411 -2.9411 -2.9411 -0.8731 -0.8731 -0.8731 -0.8731 -0.3092 -0.3092 -0.3092 -0.3092 -0.0021 -0.0021 -0.0021 -0.0021 0.3197 0.3197 0.3197 0.3197 1.6832 1.6832 1.6832 1.6832 2.4138 2.4138 2.4138 2.4138 k = 0.0000 0.0000 0.2367 ( 4818 PWs) bands (ev): -12.0737 -12.0737 -12.0737 -12.0737 -10.6524 -10.6524 -10.6524 -10.6524 -6.7780 -6.7780 -6.7780 -6.7780 -2.9411 -2.9411 -2.9411 -2.9411 -0.8731 -0.8731 -0.8731 -0.8731 -0.3092 -0.3092 -0.3092 -0.3092 -0.0021 -0.0021 -0.0021 -0.0021 0.3197 0.3197 0.3197 0.3197 1.6832 1.6832 1.6832 1.6832 2.4138 2.4138 2.4138 2.4138 k = 0.0000 0.0000 0.2236 ( 4810 PWs) bands (ev): -12.0896 -12.0896 -12.0573 -12.0573 -10.6720 -10.6720 -10.6333 -10.6333 -6.7799 -6.7799 -6.7759 -6.7759 -2.9528 -2.9528 -2.9297 -2.9297 -0.8813 -0.8813 -0.8635 -0.8635 -0.3374 -0.3374 -0.2807 -0.2807 -0.0028 -0.0028 -0.0014 -0.0014 0.3044 0.3044 0.3352 0.3352 1.6639 1.6639 1.7022 1.7022 2.3712 2.3712 2.4554 2.4554 k = 0.0000 0.0000 0.2104 ( 4808 PWs) bands (ev): -12.1049 -12.1049 -12.0407 -12.0407 -10.6919 -10.6919 -10.6148 -10.6148 -6.7818 -6.7818 -6.7737 -6.7737 -2.9649 -2.9649 -2.9189 -2.9189 -0.8880 -0.8880 -0.8528 -0.8528 -0.3648 -0.3648 -0.2524 -0.2524 -0.0033 -0.0033 -0.0004 -0.0004 0.2893 0.2893 0.3509 0.3509 1.6444 1.6444 1.7208 1.7208 2.3286 2.3286 2.4948 2.4948 k = 0.0000 0.0000 0.1973 ( 4808 PWs) bands (ev): -12.1196 -12.1196 -12.0237 -12.0237 -10.7120 -10.7120 -10.5970 -10.5970 -6.7835 -6.7835 -6.7715 -6.7715 -2.9771 -2.9771 -2.9087 -2.9087 -0.8929 -0.8929 -0.8414 -0.8414 -0.3911 -0.3911 -0.2245 -0.2245 -0.0036 -0.0036 0.0007 0.0007 0.2747 0.2747 0.3666 0.3666 1.6249 1.6249 1.7389 1.7389 2.2870 2.2870 2.5305 2.5305 k = 0.0000 0.0000 0.1841 ( 4804 PWs) bands (ev): -12.1337 -12.1337 -12.0067 -12.0067 -10.7322 -10.7322 -10.5799 -10.5799 -6.7851 -6.7851 -6.7693 -6.7693 -2.9894 -2.9894 -2.8992 -2.8992 -0.8959 -0.8959 -0.8297 -0.8297 -0.4159 -0.4159 -0.1975 -0.1975 -0.0039 -0.0039 0.0019 0.0019 0.2604 0.2604 0.3822 0.3822 1.6055 1.6055 1.7563 1.7563 2.2470 2.2470 2.5612 2.5612 k = 0.0000 0.0000 0.1710 ( 4796 PWs) bands (ev): -12.1470 -12.1470 -11.9896 -11.9896 -10.7524 -10.7524 -10.5636 -10.5636 -6.7866 -6.7866 -6.7670 -6.7670 -3.0015 -3.0015 -2.8905 -2.8905 -0.8971 -0.8971 -0.8182 -0.8182 -0.4387 -0.4387 -0.1718 -0.1718 -0.0041 -0.0041 0.0034 0.0034 0.2466 0.2466 0.3977 0.3977 1.5863 1.5863 1.7731 1.7731 2.2095 2.2095 2.5855 2.5855 k = 0.0000 0.0000 0.1578 ( 4802 PWs) bands (ev): -12.1596 -12.1596 -11.9727 -11.9727 -10.7723 -10.7723 -10.5483 -10.5483 -6.7879 -6.7879 -6.7648 -6.7648 -3.0133 -3.0133 -2.8826 -2.8826 -0.8964 -0.8964 -0.8073 -0.8073 -0.4591 -0.4591 -0.1477 -0.1477 -0.0041 -0.0041 0.0050 0.0050 0.2333 0.2333 0.4129 0.4129 1.5676 1.5676 1.7889 1.7889 2.1751 2.1751 2.6027 2.6027 k = 0.0000 0.0000 0.1447 ( 4786 PWs) bands (ev): -12.1713 -12.1713 -11.9561 -11.9561 -10.7917 -10.7917 -10.5340 -10.5340 -6.7891 -6.7891 -6.7625 -6.7625 -3.0248 -3.0248 -2.8756 -2.8756 -0.8939 -0.8939 -0.7976 -0.7976 -0.4767 -0.4767 -0.1256 -0.1256 -0.0041 -0.0041 0.0067 0.0067 0.2207 0.2207 0.4277 0.4277 1.5494 1.5494 1.8039 1.8039 2.1443 2.1443 2.6123 2.6123 k = 0.0000 0.0000 0.1315 ( 4778 PWs) bands (ev): -12.1821 -12.1821 -11.9399 -11.9399 -10.8106 -10.8106 -10.5207 -10.5207 -6.7902 -6.7902 -6.7604 -6.7604 -3.0357 -3.0357 -2.8695 -2.8695 -0.8898 -0.8898 -0.7894 -0.7894 -0.4912 -0.4912 -0.1058 -0.1058 -0.0041 -0.0041 0.0086 0.0086 0.2087 0.2087 0.4420 0.4420 1.5320 1.5320 1.8178 1.8178 2.1177 2.1177 2.6042 2.6042 k = 0.0000 0.0000 0.1184 ( 4767 PWs) bands (ev): -12.1920 -12.1920 -11.9243 -11.9243 -10.8286 -10.8286 -10.5086 -10.5086 -6.7911 -6.7911 -6.7583 -6.7583 -3.0459 -3.0459 -2.8641 -2.8641 -0.8844 -0.8844 -0.7832 -0.7832 -0.5024 -0.5024 -0.0884 -0.0884 -0.0039 -0.0039 0.0107 0.0107 0.1974 0.1974 0.4556 0.4556 1.5154 1.5154 1.8307 1.8307 2.0954 2.0954 2.5759 2.5759 k = 0.0000 0.0000 0.1052 ( 4759 PWs) bands (ev): -12.2009 -12.2009 -11.9096 -11.9096 -10.8456 -10.8456 -10.4976 -10.4976 -6.7919 -6.7919 -6.7564 -6.7564 -3.0554 -3.0554 -2.8595 -2.8595 -0.8779 -0.8779 -0.7791 -0.7791 -0.5104 -0.5104 -0.0735 -0.0735 -0.0037 -0.0037 0.0128 0.0128 0.1869 0.1869 0.4683 0.4683 1.4999 1.4999 1.8424 1.8424 2.0778 2.0778 2.5450 2.5450 k = 0.0000 0.0000 0.0921 ( 4763 PWs) bands (ev): -12.2089 -12.2089 -11.8959 -11.8959 -10.8614 -10.8614 -10.4878 -10.4878 -6.7926 -6.7926 -6.7546 -6.7546 -3.0640 -3.0640 -2.8557 -2.8557 -0.8708 -0.8708 -0.7769 -0.7769 -0.5153 -0.5153 -0.0612 -0.0612 -0.0034 -0.0034 0.0150 0.0150 0.1772 0.1772 0.4801 0.4801 1.4856 1.4856 1.8528 1.8528 2.0649 2.0649 2.5135 2.5135 k = 0.0000 0.0000 0.0789 ( 4771 PWs) bands (ev): -12.2158 -12.2158 -11.8835 -11.8835 -10.8757 -10.8757 -10.4792 -10.4792 -6.7932 -6.7932 -6.7530 -6.7530 -3.0717 -3.0717 -2.8526 -2.8526 -0.8634 -0.8634 -0.7765 -0.7765 -0.5177 -0.5177 -0.0513 -0.0513 -0.0031 -0.0031 0.0172 0.0172 0.1685 0.1685 0.4907 0.4907 1.4728 1.4728 1.8619 1.8619 2.0564 2.0564 2.4825 2.4825 k = 0.0000 0.0000 0.0658 ( 4773 PWs) bands (ev): -12.2217 -12.2217 -11.8725 -11.8725 -10.8882 -10.8882 -10.4719 -10.4719 -6.7937 -6.7937 -6.7515 -6.7515 -3.0783 -3.0783 -2.8501 -2.8501 -0.8561 -0.8561 -0.7773 -0.7773 -0.5182 -0.5182 -0.0437 -0.0437 -0.0028 -0.0028 0.0194 0.0194 0.1608 0.1608 0.5000 0.5000 1.4616 1.4616 1.8697 1.8697 2.0519 2.0519 2.4529 2.4529 k = 0.0000 0.0000 0.0526 ( 4775 PWs) bands (ev): -12.2266 -12.2266 -11.8632 -11.8632 -10.8988 -10.8988 -10.4659 -10.4659 -6.7941 -6.7941 -6.7504 -6.7504 -3.0838 -3.0838 -2.8482 -2.8482 -0.8495 -0.8495 -0.7788 -0.7788 -0.5176 -0.5176 -0.0381 -0.0381 -0.0024 -0.0024 0.0213 0.0213 0.1542 0.1542 0.5078 0.5078 1.4522 1.4522 1.8762 1.8762 2.0507 2.0507 2.4257 2.4257 k = 0.0000 0.0000 0.0395 ( 4775 PWs) bands (ev): -12.2304 -12.2304 -11.8558 -11.8558 -10.9073 -10.9073 -10.4612 -10.4612 -6.7944 -6.7944 -6.7494 -6.7494 -3.0881 -3.0881 -2.8467 -2.8467 -0.8438 -0.8438 -0.7805 -0.7805 -0.5163 -0.5163 -0.0342 -0.0342 -0.0022 -0.0022 0.0231 0.0231 0.1489 0.1489 0.5141 0.5141 1.4447 1.4447 1.8812 1.8812 2.0518 2.0518 2.4022 2.4022 k = 0.0000 0.0000 0.0263 ( 4783 PWs) bands (ev): -12.2331 -12.2331 -11.8503 -11.8503 -10.9136 -10.9136 -10.4579 -10.4579 -6.7946 -6.7946 -6.7487 -6.7487 -3.0913 -3.0913 -2.8457 -2.8457 -0.8395 -0.8395 -0.7820 -0.7820 -0.5150 -0.5150 -0.0316 -0.0316 -0.0019 -0.0019 0.0244 0.0244 0.1450 0.1450 0.5186 0.5186 1.4392 1.4392 1.8848 1.8848 2.0541 2.0541 2.3839 2.3839 k = 0.0000 0.0000 0.0132 ( 4791 PWs) bands (ev): -12.2347 -12.2347 -11.8470 -11.8470 -10.9173 -10.9173 -10.4559 -10.4559 -6.7948 -6.7948 -6.7483 -6.7483 -3.0932 -3.0932 -2.8451 -2.8451 -0.8368 -0.8368 -0.7829 -0.7829 -0.5141 -0.5141 -0.0302 -0.0302 -0.0018 -0.0018 0.0252 0.0252 0.1426 0.1426 0.5214 0.5214 1.4359 1.4359 1.8870 1.8870 2.0561 2.0561 2.3721 2.3721 k = 0.0000 0.0000 0.0000 ( 4809 PWs) bands (ev): -12.2353 -12.2353 -11.8459 -11.8459 -10.9186 -10.9186 -10.4552 -10.4552 -6.7948 -6.7948 -6.7482 -6.7482 -3.0938 -3.0938 -2.8449 -2.8449 -0.8359 -0.8359 -0.7833 -0.7833 -0.5138 -0.5138 -0.0298 -0.0298 -0.0017 -0.0017 0.0255 0.0255 0.1418 0.1418 0.5223 0.5223 1.4347 1.4347 1.8877 1.8877 2.0569 2.0569 2.3681 2.3681 k = 0.0000 0.0000 0.0000 ( 4809 PWs) bands (ev): -12.2353 -12.2353 -11.8459 -11.8459 -10.9186 -10.9186 -10.4552 -10.4552 -6.7948 -6.7948 -6.7482 -6.7482 -3.0938 -3.0938 -2.8449 -2.8449 -0.8359 -0.8359 -0.7833 -0.7833 -0.5138 -0.5138 -0.0298 -0.0298 -0.0017 -0.0017 0.0255 0.0255 0.1418 0.1418 0.5223 0.5223 1.4347 1.4347 1.8877 1.8877 2.0569 2.0569 2.3681 2.3681 k =-0.0100 0.0087 0.0000 ( 4801 PWs) bands (ev): -12.2348 -12.2348 -11.8456 -11.8456 -10.9184 -10.9184 -10.4553 -10.4553 -6.7954 -6.7954 -6.7484 -6.7484 -3.0939 -3.0939 -2.8453 -2.8453 -0.8360 -0.8360 -0.7854 -0.7854 -0.5149 -0.5149 -0.0364 -0.0364 -0.0023 -0.0023 0.0332 0.0332 0.1386 0.1386 0.5230 0.5230 1.4364 1.4364 1.8886 1.8886 2.0573 2.0573 2.3691 2.3691 k =-0.0200 0.0175 0.0000 ( 4797 PWs) bands (ev): -12.2335 -12.2335 -11.8446 -11.8446 -10.9180 -10.9180 -10.4558 -10.4558 -6.7970 -6.7970 -6.7492 -6.7492 -3.0943 -3.0943 -2.8465 -2.8465 -0.8365 -0.8365 -0.7917 -0.7917 -0.5182 -0.5182 -0.0513 -0.0513 -0.0020 -0.0020 0.0494 0.0494 0.1290 0.1290 0.5250 0.5250 1.4414 1.4414 1.8911 1.8911 2.0588 2.0588 2.3720 2.3720 k =-0.0300 0.0262 0.0000 ( 4805 PWs) bands (ev): -12.2314 -12.2314 -11.8431 -11.8431 -10.9172 -10.9172 -10.4567 -10.4567 -6.7998 -6.7998 -6.7504 -6.7504 -3.0949 -3.0949 -2.8484 -2.8484 -0.8373 -0.8373 -0.8019 -0.8019 -0.5237 -0.5237 -0.0692 -0.0692 -0.0007 -0.0007 0.0679 0.0679 0.1134 0.1134 0.5281 0.5281 1.4496 1.4496 1.8954 1.8954 2.0612 2.0612 2.3767 2.3767 k =-0.0400 0.0349 0.0000 ( 4801 PWs) bands (ev): -12.2284 -12.2284 -11.8409 -11.8409 -10.9161 -10.9161 -10.4578 -10.4578 -6.8036 -6.8036 -6.7522 -6.7522 -3.0958 -3.0958 -2.8511 -2.8511 -0.8387 -0.8387 -0.8156 -0.8156 -0.5312 -0.5312 -0.0877 -0.0877 0.0012 0.0012 0.0822 0.0822 0.0968 0.0968 0.5324 0.5324 1.4611 1.4611 1.9014 1.9014 2.0645 2.0645 2.3830 2.3830 k =-0.0500 0.0437 0.0000 ( 4787 PWs) bands (ev): -12.2245 -12.2245 -11.8381 -11.8381 -10.9148 -10.9148 -10.4592 -10.4592 -6.8085 -6.8085 -6.7544 -6.7544 -3.0968 -3.0968 -2.8546 -2.8546 -0.8431 -0.8431 -0.8299 -0.8299 -0.5405 -0.5405 -0.1063 -0.1063 0.0032 0.0032 0.0605 0.0605 0.1105 0.1105 0.5374 0.5374 1.4757 1.4757 1.9094 1.9094 2.0687 2.0687 2.3908 2.3908 k =-0.0600 0.0524 0.0000 ( 4785 PWs) bands (ev): -12.2197 -12.2197 -11.8348 -11.8348 -10.9131 -10.9131 -10.4610 -10.4610 -6.8145 -6.8145 -6.7571 -6.7571 -3.0980 -3.0980 -2.8588 -2.8588 -0.8586 -0.8586 -0.8364 -0.8364 -0.5515 -0.5515 -0.1247 -0.1247 0.0050 0.0050 0.0270 0.0270 0.1301 0.1301 0.5431 0.5431 1.4935 1.4935 1.9193 1.9193 2.0738 2.0738 2.3997 2.3997 k =-0.0700 0.0611 0.0000 ( 4785 PWs) bands (ev): -12.2142 -12.2142 -11.8308 -11.8308 -10.9112 -10.9112 -10.4631 -10.4631 -6.8214 -6.8214 -6.7603 -6.7603 -3.0994 -3.0994 -2.8637 -2.8637 -0.8814 -0.8814 -0.8386 -0.8386 -0.5641 -0.5641 -0.1425 -0.1425 -0.0122 -0.0122 0.0061 0.0061 0.1500 0.1500 0.5492 0.5492 1.5144 1.5144 1.9312 1.9312 2.0798 2.0798 2.4096 2.4096 k =-0.0800 0.0699 0.0000 ( 4785 PWs) bands (ev): -12.2079 -12.2079 -11.8263 -11.8263 -10.9089 -10.9089 -10.4655 -10.4655 -6.8293 -6.8293 -6.7639 -6.7639 -3.1009 -3.1009 -2.8693 -2.8693 -0.9073 -0.9073 -0.8401 -0.8401 -0.5779 -0.5779 -0.1599 -0.1599 -0.0564 -0.0564 0.0063 0.0063 0.1695 0.1695 0.5553 0.5553 1.5383 1.5383 1.9450 1.9450 2.0866 2.0866 2.4202 2.4202 k =-0.0900 0.0786 0.0000 ( 4785 PWs) bands (ev): -12.2007 -12.2007 -11.8212 -11.8212 -10.9065 -10.9065 -10.4681 -10.4681 -6.8381 -6.8381 -6.7680 -6.7680 -3.1025 -3.1025 -2.8756 -2.8756 -0.9354 -0.9354 -0.8414 -0.8414 -0.5929 -0.5929 -0.1769 -0.1769 -0.1049 -0.1049 0.0052 0.0052 0.1887 0.1887 0.5611 0.5611 1.5651 1.5651 1.9609 1.9609 2.0942 2.0942 2.4312 2.4312 k =-0.1000 0.0873 0.0000 ( 4781 PWs) bands (ev): -12.1928 -12.1928 -11.8156 -11.8156 -10.9037 -10.9037 -10.4711 -10.4711 -6.8478 -6.8478 -6.7725 -6.7725 -3.1042 -3.1042 -2.8824 -2.8824 -0.9653 -0.9653 -0.8427 -0.8427 -0.6088 -0.6088 -0.1947 -0.1947 -0.1560 -0.1560 0.0026 0.0026 0.2075 0.2075 0.5665 0.5665 1.5947 1.5947 1.9785 1.9785 2.1025 2.1025 2.4425 2.4425 k =-0.1100 0.0960 0.0000 ( 4785 PWs) bands (ev): -12.1842 -12.1842 -11.8095 -11.8095 -10.9007 -10.9007 -10.4743 -10.4743 -6.8583 -6.8583 -6.7774 -6.7774 -3.1059 -3.1059 -2.8900 -2.8900 -0.9966 -0.9966 -0.8439 -0.8439 -0.6254 -0.6254 -0.2255 -0.2255 -0.1970 -0.1970 -0.0020 -0.0020 0.2256 0.2256 0.5709 0.5709 1.6270 1.6270 1.9980 1.9980 2.1115 2.1115 2.4539 2.4539 k =-0.1200 0.1048 0.0000 ( 4789 PWs) bands (ev): -12.1748 -12.1748 -11.8028 -11.8028 -10.8975 -10.8975 -10.4777 -10.4777 -6.8696 -6.8696 -6.7827 -6.7827 -3.1076 -3.1076 -2.8980 -2.8980 -1.0290 -1.0290 -0.8453 -0.8453 -0.6426 -0.6426 -0.2807 -0.2807 -0.2159 -0.2159 -0.0085 -0.0085 0.2433 0.2433 0.5743 0.5743 1.6619 1.6619 2.0190 2.0190 2.1210 2.1210 2.4653 2.4653 k =-0.1300 0.1135 0.0000 ( 4793 PWs) bands (ev): -12.1647 -12.1647 -11.7957 -11.7957 -10.8940 -10.8940 -10.4814 -10.4814 -6.8816 -6.8816 -6.7883 -6.7883 -3.1092 -3.1092 -2.9067 -2.9067 -1.0621 -1.0621 -0.8467 -0.8467 -0.6601 -0.6601 -0.3425 -0.3425 -0.2298 -0.2298 -0.0173 -0.0173 0.2603 0.2603 0.5763 0.5763 1.6992 1.6992 2.0413 2.0413 2.1310 2.1310 2.4765 2.4765 k =-0.1400 0.1222 0.0000 ( 4787 PWs) bands (ev): -12.1540 -12.1540 -11.7881 -11.7881 -10.8904 -10.8904 -10.4853 -10.4853 -6.8943 -6.8943 -6.7943 -6.7943 -3.1107 -3.1107 -2.9158 -2.9158 -1.0958 -1.0958 -0.8486 -0.8486 -0.6779 -0.6779 -0.4068 -0.4068 -0.2421 -0.2421 -0.0285 -0.0285 0.2767 0.2767 0.5767 0.5767 1.7390 1.7390 2.0647 2.0647 2.1414 2.1414 2.4874 2.4874 k =-0.1500 0.1310 0.0000 ( 4781 PWs) bands (ev): -12.1427 -12.1427 -11.7801 -11.7801 -10.8865 -10.8865 -10.4894 -10.4894 -6.9075 -6.9075 -6.8006 -6.8006 -3.1120 -3.1120 -2.9254 -2.9254 -1.1298 -1.1298 -0.8514 -0.8514 -0.6957 -0.6957 -0.4723 -0.4723 -0.2533 -0.2533 -0.0420 -0.0420 0.2926 0.2926 0.5751 0.5751 1.7809 1.7809 2.0889 2.0889 2.1521 2.1521 2.4976 2.4976 k =-0.1600 0.1397 0.0000 ( 4780 PWs) bands (ev): -12.1307 -12.1307 -11.7717 -11.7717 -10.8825 -10.8825 -10.4937 -10.4937 -6.9212 -6.9212 -6.8072 -6.8072 -3.1131 -3.1131 -2.9354 -2.9354 -1.1638 -1.1638 -0.8559 -0.8559 -0.7135 -0.7135 -0.5375 -0.5375 -0.2634 -0.2634 -0.0582 -0.0582 0.3080 0.3080 0.5715 0.5715 1.8249 1.8249 2.1136 2.1136 2.1631 2.1631 2.5056 2.5056 k =-0.1700 0.1484 0.0000 ( 4776 PWs) bands (ev): -12.1183 -12.1183 -11.7629 -11.7629 -10.8783 -10.8783 -10.4982 -10.4982 -6.9354 -6.9354 -6.8141 -6.8141 -3.1140 -3.1140 -2.9457 -2.9457 -1.1977 -1.1977 -0.8638 -0.8638 -0.7312 -0.7312 -0.6002 -0.6002 -0.2726 -0.2726 -0.0768 -0.0768 0.3229 0.3229 0.5657 0.5657 1.8708 1.8708 2.1381 2.1381 2.1744 2.1744 2.5056 2.5056 k =-0.1800 0.1572 0.0000 ( 4778 PWs) bands (ev): -12.1053 -12.1053 -11.7538 -11.7538 -10.8740 -10.8740 -10.5028 -10.5028 -6.9501 -6.9501 -6.8212 -6.8212 -3.1146 -3.1146 -2.9564 -2.9564 -1.2312 -1.2312 -0.8785 -0.8785 -0.7487 -0.7487 -0.6566 -0.6566 -0.2809 -0.2809 -0.0980 -0.0980 0.3374 0.3374 0.5574 0.5574 1.9186 1.9186 2.1616 2.1616 2.1866 2.1866 2.4994 2.4994 k =-0.1900 0.1659 0.0000 ( 4782 PWs) bands (ev): -12.0918 -12.0918 -11.7444 -11.7444 -10.8695 -10.8695 -10.5076 -10.5076 -6.9650 -6.9650 -6.8285 -6.8285 -3.1149 -3.1149 -2.9674 -2.9674 -1.2644 -1.2644 -0.9051 -0.9051 -0.7658 -0.7658 -0.7013 -0.7013 -0.2883 -0.2883 -0.1217 -0.1217 0.3516 0.3516 0.5466 0.5466 1.9679 1.9679 2.1815 2.1815 2.2015 2.2015 2.4917 2.4917 k =-0.2000 0.1746 0.0000 ( 4778 PWs) bands (ev): -12.0779 -12.0779 -11.7348 -11.7348 -10.8650 -10.8650 -10.5125 -10.5125 -6.9802 -6.9802 -6.8359 -6.8359 -3.1148 -3.1148 -2.9786 -2.9786 -1.2968 -1.2968 -0.9474 -0.9474 -0.7818 -0.7818 -0.7308 -0.7308 -0.2950 -0.2950 -0.1477 -0.1477 0.3656 0.3656 0.5332 0.5332 2.0186 2.0186 2.1958 2.1958 2.2210 2.2210 2.4834 2.4834 k =-0.2100 0.1834 0.0000 ( 4774 PWs) bands (ev): -12.0637 -12.0637 -11.7248 -11.7248 -10.8603 -10.8603 -10.5175 -10.5175 -6.9956 -6.9956 -6.8436 -6.8436 -3.1144 -3.1144 -2.9900 -2.9900 -1.3286 -1.3286 -1.0033 -1.0033 -0.7966 -0.7966 -0.7468 -0.7468 -0.3009 -0.3009 -0.1760 -0.1760 0.3794 0.3794 0.5171 0.5171 2.0705 2.0705 2.2063 2.2063 2.2426 2.2426 2.4748 2.4748 k =-0.2200 0.1921 0.0000 ( 4786 PWs) bands (ev): -12.0491 -12.0491 -11.7147 -11.7147 -10.8556 -10.8556 -10.5226 -10.5226 -7.0111 -7.0111 -6.8513 -6.8513 -3.1136 -3.1136 -3.0016 -3.0016 -1.3594 -1.3594 -1.0677 -1.0677 -0.8106 -0.8106 -0.7537 -0.7537 -0.3062 -0.3062 -0.2064 -0.2064 0.3932 0.3932 0.4984 0.4984 2.1234 2.1234 2.2150 2.2150 2.2640 2.2640 2.4660 2.4660 k =-0.2300 0.2008 0.0000 ( 4796 PWs) bands (ev): -12.0343 -12.0343 -11.7045 -11.7045 -10.8509 -10.8509 -10.5277 -10.5277 -7.0267 -7.0267 -6.8592 -6.8592 -3.1123 -3.1123 -3.0132 -3.0132 -1.3893 -1.3893 -1.1365 -1.1365 -0.8239 -0.8239 -0.7551 -0.7551 -0.3110 -0.3110 -0.2386 -0.2386 0.4071 0.4071 0.4770 0.4770 2.1765 2.1765 2.2229 2.2229 2.2843 2.2843 2.4573 2.4573 k =-0.2400 0.2096 0.0000 ( 4780 PWs) bands (ev): -12.0193 -12.0193 -11.6941 -11.6941 -10.8461 -10.8461 -10.5328 -10.5328 -7.0422 -7.0422 -6.8670 -6.8670 -3.1106 -3.1106 -3.0248 -3.0248 -1.4180 -1.4180 -1.2074 -1.2074 -0.8366 -0.8366 -0.7531 -0.7531 -0.3158 -0.3158 -0.2720 -0.2720 0.4211 0.4211 0.4529 0.4529 2.2207 2.2207 2.2389 2.2389 2.3032 2.3032 2.4486 2.4486 k =-0.2500 0.2183 0.0000 ( 4788 PWs) bands (ev): -12.0041 -12.0041 -11.6836 -11.6836 -10.8413 -10.8413 -10.5380 -10.5380 -7.0578 -7.0578 -6.8749 -6.8749 -3.1084 -3.1084 -3.0365 -3.0365 -1.4456 -1.4456 -1.2790 -1.2790 -0.8484 -0.8484 -0.7487 -0.7487 -0.3240 -0.3240 -0.3032 -0.3032 0.4263 0.4263 0.4355 0.4355 2.2299 2.2299 2.2885 2.2885 2.3206 2.3206 2.4404 2.4404 k =-0.2600 0.2270 0.0000 ( 4786 PWs) bands (ev): -11.9888 -11.9888 -11.6731 -11.6731 -10.8365 -10.8365 -10.5432 -10.5432 -7.0732 -7.0732 -6.8828 -6.8828 -3.1059 -3.1059 -3.0481 -3.0481 -1.4719 -1.4719 -1.3505 -1.3505 -0.8592 -0.8592 -0.7428 -0.7428 -0.3511 -0.3511 -0.3165 -0.3165 0.3972 0.3972 0.4502 0.4502 2.2333 2.2333 2.3340 2.3340 2.3438 2.3438 2.4334 2.4334 k =-0.2700 0.2357 0.0000 ( 4786 PWs) bands (ev): -11.9734 -11.9734 -11.6626 -11.6626 -10.8317 -10.8317 -10.5483 -10.5483 -7.0884 -7.0884 -6.8907 -6.8907 -3.1029 -3.1029 -3.0595 -3.0595 -1.4969 -1.4969 -1.4214 -1.4214 -0.8690 -0.8690 -0.7356 -0.7356 -0.3883 -0.3883 -0.3205 -0.3205 0.3657 0.3657 0.4654 0.4654 2.2347 2.2347 2.3486 2.3486 2.3896 2.3896 2.4335 2.4335 k =-0.2800 0.2445 0.0000 ( 4790 PWs) bands (ev): -11.9581 -11.9581 -11.6521 -11.6521 -10.8270 -10.8270 -10.5534 -10.5534 -7.1034 -7.1034 -6.8985 -6.8985 -3.0996 -3.0996 -3.0707 -3.0707 -1.5205 -1.5205 -1.4912 -1.4912 -0.8776 -0.8776 -0.7275 -0.7275 -0.4277 -0.4277 -0.3232 -0.3232 0.3321 0.3321 0.4811 0.4811 2.2344 2.2344 2.3602 2.3602 2.4041 2.4041 2.4665 2.4665 k =-0.2900 0.2532 0.0000 ( 4784 PWs) bands (ev): -11.9429 -11.9429 -11.6417 -11.6417 -10.8223 -10.8223 -10.5585 -10.5585 -7.1181 -7.1181 -6.9061 -6.9061 -3.0965 -3.0965 -3.0810 -3.0810 -1.5596 -1.5596 -1.5426 -1.5426 -0.8851 -0.8851 -0.7186 -0.7186 -0.4681 -0.4681 -0.3253 -0.3253 0.2964 0.2964 0.4974 0.4974 2.2324 2.2324 2.3691 2.3691 2.4008 2.4008 2.5183 2.5183 k =-0.3000 0.2619 0.0000 ( 4784 PWs) bands (ev): -11.9278 -11.9278 -11.6315 -11.6315 -10.8177 -10.8177 -10.5634 -10.5634 -7.1325 -7.1325 -6.9137 -6.9137 -3.0973 -3.0973 -3.0868 -3.0868 -1.6263 -1.6263 -1.5632 -1.5632 -0.8913 -0.8913 -0.7091 -0.7091 -0.5092 -0.5092 -0.3271 -0.3271 0.2590 0.2590 0.5143 0.5143 2.2286 2.2286 2.3740 2.3740 2.3978 2.3978 2.5722 2.5722 k =-0.3100 0.2707 0.0000 ( 4786 PWs) bands (ev): -11.9129 -11.9129 -11.6214 -11.6214 -10.8132 -10.8132 -10.5683 -10.5683 -7.1464 -7.1464 -6.9211 -6.9211 -3.1058 -3.1058 -3.0844 -3.0844 -1.6912 -1.6912 -1.5822 -1.5822 -0.8962 -0.8962 -0.6992 -0.6992 -0.5506 -0.5506 -0.3287 -0.3287 0.2198 0.2198 0.5320 0.5320 2.2231 2.2231 2.3728 2.3728 2.3992 2.3992 2.6260 2.6260 k =-0.3200 0.2794 0.0000 ( 4786 PWs) bands (ev): -11.8983 -11.8983 -11.6115 -11.6115 -10.8089 -10.8089 -10.5730 -10.5730 -7.1600 -7.1600 -6.9283 -6.9283 -3.1158 -3.1158 -3.0798 -3.0798 -1.7538 -1.7538 -1.5997 -1.5997 -0.8997 -0.8997 -0.6890 -0.6890 -0.5922 -0.5922 -0.3301 -0.3301 0.1793 0.1793 0.5502 0.5502 2.2159 2.2159 2.3674 2.3674 2.4037 2.4037 2.6793 2.6793 k =-0.3300 0.2881 0.0000 ( 4790 PWs) bands (ev): -11.8840 -11.8840 -11.6019 -11.6019 -10.8046 -10.8046 -10.5776 -10.5776 -7.1730 -7.1730 -6.9352 -6.9352 -3.1257 -3.1257 -3.0746 -3.0746 -1.8142 -1.8142 -1.6156 -1.6156 -0.9018 -0.9018 -0.6789 -0.6789 -0.6333 -0.6333 -0.3315 -0.3315 0.1376 0.1376 0.5691 0.5691 2.2071 2.2071 2.3606 2.3606 2.4090 2.4090 2.7277 2.7277 k =-0.3400 0.2969 0.0000 ( 4790 PWs) bands (ev): -11.8701 -11.8701 -11.5926 -11.5926 -10.8006 -10.8006 -10.5820 -10.5820 -7.1856 -7.1856 -6.9419 -6.9419 -3.1354 -3.1354 -3.0690 -3.0690 -1.8720 -1.8720 -1.6300 -1.6300 -0.9024 -0.9024 -0.6784 -0.6784 -0.6642 -0.6642 -0.3327 -0.3327 0.0949 0.0949 0.5887 0.5887 2.1967 2.1967 2.3534 2.3534 2.4141 2.4141 2.7382 2.7382 k =-0.3500 0.3056 0.0000 ( 4798 PWs) bands (ev): -11.8567 -11.8567 -11.5836 -11.5836 -10.7967 -10.7967 -10.5863 -10.5863 -7.1975 -7.1975 -6.9484 -6.9484 -3.1447 -3.1447 -3.0633 -3.0633 -1.9272 -1.9272 -1.6427 -1.6427 -0.9016 -0.9016 -0.7164 -0.7164 -0.6561 -0.6561 -0.3340 -0.3340 0.0515 0.0515 0.6087 0.6087 2.1849 2.1849 2.3462 2.3462 2.4188 2.4188 2.7476 2.7476 k =-0.3600 0.3143 0.0000 ( 4798 PWs) bands (ev): -11.8438 -11.8438 -11.5750 -11.5750 -10.7929 -10.7929 -10.5904 -10.5904 -7.2089 -7.2089 -6.9546 -6.9546 -3.1536 -3.1536 -3.0574 -3.0574 -1.9795 -1.9795 -1.6539 -1.6539 -0.8993 -0.8993 -0.7558 -0.7558 -0.6457 -0.6457 -0.3351 -0.3351 0.0078 0.0078 0.6291 0.6291 2.1718 2.1718 2.3392 2.3392 2.4233 2.4233 2.7559 2.7559 k =-0.3700 0.3231 0.0000 ( 4790 PWs) bands (ev): -11.8315 -11.8315 -11.5668 -11.5668 -10.7894 -10.7894 -10.5942 -10.5942 -7.2196 -7.2196 -6.9604 -6.9604 -3.1620 -3.1620 -3.0515 -3.0515 -2.0289 -2.0289 -1.6635 -1.6635 -0.8956 -0.8956 -0.7942 -0.7942 -0.6354 -0.6354 -0.3363 -0.3363 -0.0362 -0.0362 0.6497 0.6497 2.1577 2.1577 2.3324 2.3324 2.4274 2.4274 2.7631 2.7631 k =-0.3800 0.3318 0.0000 ( 4794 PWs) bands (ev): -11.8198 -11.8198 -11.5591 -11.5591 -10.7860 -10.7860 -10.5978 -10.5978 -7.2297 -7.2297 -6.9659 -6.9659 -3.1699 -3.1699 -3.0455 -3.0455 -2.0751 -2.0751 -1.6717 -1.6717 -0.8908 -0.8908 -0.8308 -0.8308 -0.6252 -0.6252 -0.3374 -0.3374 -0.0800 -0.0800 0.6705 0.6705 2.1427 2.1427 2.3261 2.3261 2.4312 2.4312 2.7691 2.7691 k =-0.3900 0.3405 0.0000 ( 4798 PWs) bands (ev): -11.8089 -11.8089 -11.5518 -11.5518 -10.7829 -10.7829 -10.6012 -10.6012 -7.2391 -7.2391 -6.9710 -6.9710 -3.1772 -3.1772 -3.0397 -3.0397 -2.1181 -2.1181 -1.6785 -1.6785 -0.8875 -0.8875 -0.8628 -0.8628 -0.6155 -0.6155 -0.3385 -0.3385 -0.1235 -0.1235 0.6912 0.6912 2.1270 2.1270 2.3201 2.3201 2.4348 2.4348 2.7740 2.7740 k =-0.4000 0.3493 0.0000 ( 4800 PWs) bands (ev): -11.7987 -11.7987 -11.5450 -11.5450 -10.7800 -10.7800 -10.6044 -10.6044 -7.2477 -7.2477 -6.9758 -6.9758 -3.1841 -3.1841 -3.0340 -3.0340 -2.1578 -2.1578 -1.6839 -1.6839 -0.9059 -0.9059 -0.8699 -0.8699 -0.6062 -0.6062 -0.3396 -0.3396 -0.1662 -0.1662 0.7115 0.7115 2.1110 2.1110 2.3145 2.3145 2.4381 2.4381 2.7780 2.7780 k =-0.4100 0.3580 0.0000 ( 4796 PWs) bands (ev): -11.7893 -11.7893 -11.5388 -11.5388 -10.7774 -10.7774 -10.6073 -10.6073 -7.2556 -7.2556 -6.9801 -6.9801 -3.1903 -3.1903 -3.0286 -3.0286 -2.1940 -2.1940 -1.6882 -1.6882 -0.9361 -0.9361 -0.8617 -0.8617 -0.5975 -0.5975 -0.3406 -0.3406 -0.2079 -0.2079 0.7313 0.7313 2.0950 2.0950 2.3093 2.3093 2.4412 2.4412 2.7811 2.7811 k =-0.4200 0.3667 0.0000 ( 4794 PWs) bands (ev): -11.7807 -11.7807 -11.5332 -11.5332 -10.7750 -10.7750 -10.6099 -10.6099 -7.2627 -7.2627 -6.9840 -6.9840 -3.1960 -3.1960 -3.0235 -3.0235 -2.2266 -2.2266 -1.6913 -1.6913 -0.9652 -0.9652 -0.8508 -0.8508 -0.5894 -0.5894 -0.3416 -0.3416 -0.2483 -0.2483 0.7502 0.7502 2.0793 2.0793 2.3047 2.3047 2.4441 2.4441 2.7834 2.7834 k =-0.4300 0.3755 0.0000 ( 4796 PWs) bands (ev): -11.7731 -11.7731 -11.5281 -11.5281 -10.7729 -10.7729 -10.6122 -10.6122 -7.2691 -7.2691 -6.9875 -6.9875 -3.2010 -3.2010 -3.0188 -3.0188 -2.2556 -2.2556 -1.6935 -1.6935 -0.9920 -0.9920 -0.8387 -0.8387 -0.5822 -0.5822 -0.3425 -0.3425 -0.2868 -0.2868 0.7680 0.7680 2.0642 2.0642 2.3005 2.3005 2.4467 2.4467 2.7850 2.7850 k =-0.4400 0.3842 0.0000 ( 4796 PWs) bands (ev): -11.7664 -11.7664 -11.5237 -11.5237 -10.7710 -10.7710 -10.6142 -10.6142 -7.2746 -7.2746 -6.9906 -6.9906 -3.2054 -3.2054 -3.0146 -3.0146 -2.2809 -2.2809 -1.6949 -1.6949 -1.0160 -1.0160 -0.8255 -0.8255 -0.5757 -0.5757 -0.3434 -0.3434 -0.3230 -0.3230 0.7843 0.7843 2.0502 2.0502 2.2969 2.2969 2.4491 2.4491 2.7860 2.7860 k =-0.4500 0.3929 0.0000 ( 4792 PWs) bands (ev): -11.7606 -11.7606 -11.5200 -11.5200 -10.7694 -10.7694 -10.6160 -10.6160 -7.2793 -7.2793 -6.9932 -6.9932 -3.2091 -3.2091 -3.0109 -3.0109 -2.3025 -2.3025 -1.6957 -1.6957 -1.0369 -1.0369 -0.8120 -0.8120 -0.5702 -0.5702 -0.3566 -0.3566 -0.3439 -0.3439 0.7987 0.7987 2.0375 2.0375 2.2938 2.2938 2.4512 2.4512 2.7867 2.7867 k =-0.4600 0.4016 0.0000 ( 4790 PWs) bands (ev): -11.7559 -11.7559 -11.5169 -11.5169 -10.7681 -10.7681 -10.6174 -10.6174 -7.2831 -7.2831 -6.9954 -6.9954 -3.2122 -3.2122 -3.0078 -3.0078 -2.3201 -2.3201 -1.6960 -1.6960 -1.0545 -1.0545 -0.7987 -0.7987 -0.5656 -0.5656 -0.3862 -0.3862 -0.3446 -0.3446 0.8111 0.8111 2.0266 2.0266 2.2912 2.2912 2.4530 2.4530 2.7870 2.7870 k =-0.4700 0.4104 0.0000 ( 4790 PWs) bands (ev): -11.7522 -11.7522 -11.5144 -11.5144 -10.7671 -10.7671 -10.6185 -10.6185 -7.2861 -7.2861 -6.9970 -6.9970 -3.2146 -3.2146 -3.0053 -3.0053 -2.3340 -2.3340 -1.6960 -1.6960 -1.0684 -1.0684 -0.7864 -0.7864 -0.5621 -0.5621 -0.4112 -0.4112 -0.3451 -0.3451 0.8211 0.8211 2.0177 2.0177 2.2892 2.2892 2.4544 2.4544 2.7871 2.7871 k =-0.4800 0.4191 0.0000 ( 4790 PWs) bands (ev): -11.7495 -11.7495 -11.5127 -11.5127 -10.7664 -10.7664 -10.6193 -10.6193 -7.2883 -7.2883 -6.9982 -6.9982 -3.2163 -3.2163 -3.0035 -3.0035 -2.3438 -2.3438 -1.6960 -1.6960 -1.0786 -1.0786 -0.7763 -0.7763 -0.5596 -0.5596 -0.4304 -0.4304 -0.3455 -0.3455 0.8284 0.8284 2.0111 2.0111 2.2878 2.2878 2.4554 2.4554 2.7872 2.7872 k =-0.4900 0.4278 0.0000 ( 4802 PWs) bands (ev): -11.7479 -11.7479 -11.5116 -11.5116 -10.7659 -10.7659 -10.6198 -10.6198 -7.2896 -7.2896 -6.9990 -6.9990 -3.2174 -3.2174 -3.0024 -3.0024 -2.3498 -2.3498 -1.6959 -1.6959 -1.0847 -1.0847 -0.7695 -0.7695 -0.5582 -0.5582 -0.4427 -0.4427 -0.3457 -0.3457 0.8329 0.8329 2.0071 2.0071 2.2869 2.2869 2.4561 2.4561 2.7871 2.7871 k =-0.5000 0.4366 0.0000 ( 4806 PWs) bands (ev): -11.7474 -11.7474 -11.5113 -11.5113 -10.7658 -10.7658 -10.6199 -10.6199 -7.2900 -7.2900 -6.9992 -6.9992 -3.2177 -3.2177 -3.0021 -3.0021 -2.3518 -2.3518 -1.6958 -1.6958 -1.0868 -1.0868 -0.7671 -0.7671 -0.5577 -0.5577 -0.4469 -0.4469 -0.3458 -0.3458 0.8344 0.8344 2.0057 2.0057 2.2867 2.2867 2.4563 2.4563 2.7871 2.7871 k =-0.5000 0.4366 0.0000 ( 4806 PWs) bands (ev): -11.7474 -11.7474 -11.5113 -11.5113 -10.7658 -10.7658 -10.6199 -10.6199 -7.2900 -7.2900 -6.9992 -6.9992 -3.2177 -3.2177 -3.0021 -3.0021 -2.3518 -2.3518 -1.6958 -1.6958 -1.0868 -1.0868 -0.7671 -0.7671 -0.5577 -0.5577 -0.4469 -0.4469 -0.3458 -0.3458 0.8344 0.8344 2.0057 2.0057 2.2867 2.2867 2.4563 2.4563 2.7871 2.7871 k =-0.4915 0.4463-0.0000 ( 4798 PWs) bands (ev): -11.7469 -11.7469 -11.5112 -11.5112 -10.7664 -10.7664 -10.6213 -10.6213 -7.2890 -7.2890 -6.9989 -6.9989 -3.2185 -3.2185 -3.0012 -3.0012 -2.3508 -2.3508 -1.6950 -1.6950 -1.0870 -1.0870 -0.7760 -0.7760 -0.5490 -0.5490 -0.4463 -0.4463 -0.3434 -0.3434 0.8342 0.8342 2.0023 2.0023 2.2903 2.2903 2.4576 2.4576 2.7867 2.7867 k =-0.4830 0.4560-0.0000 ( 4790 PWs) bands (ev): -11.7454 -11.7454 -11.5108 -11.5108 -10.7682 -10.7682 -10.6252 -10.6252 -7.2858 -7.2858 -6.9979 -6.9979 -3.2206 -3.2206 -2.9987 -2.9987 -2.3479 -2.3479 -1.6924 -1.6924 -1.0879 -1.0879 -0.7995 -0.7995 -0.5262 -0.5262 -0.4447 -0.4447 -0.3361 -0.3361 0.8335 0.8335 1.9928 1.9928 2.3006 2.3006 2.4614 2.4614 2.7853 2.7853 k =-0.4745 0.4657-0.0000 ( 4782 PWs) bands (ev): -11.7431 -11.7431 -11.5103 -11.5103 -10.7711 -10.7711 -10.6318 -10.6318 -7.2807 -7.2807 -6.9963 -6.9963 -3.2241 -3.2241 -2.9946 -2.9946 -2.3431 -2.3431 -1.6881 -1.6881 -1.0896 -1.0896 -0.8317 -0.8317 -0.4953 -0.4953 -0.4418 -0.4418 -0.3240 -0.3240 0.8325 0.8325 1.9788 1.9788 2.3157 2.3157 2.4676 2.4676 2.7830 2.7830 k =-0.4661 0.4754-0.0000 ( 4782 PWs) bands (ev): -11.7398 -11.7398 -11.5095 -11.5095 -10.7752 -10.7752 -10.6408 -10.6408 -7.2736 -7.2736 -6.9941 -6.9941 -3.2287 -3.2287 -2.9890 -2.9890 -2.3364 -2.3364 -1.6821 -1.6821 -1.0924 -1.0924 -0.8688 -0.8688 -0.4618 -0.4618 -0.4358 -0.4358 -0.3068 -0.3068 0.8310 0.8310 1.9620 1.9620 2.3337 2.3337 2.4760 2.4760 2.7798 2.7798 k =-0.4576 0.4852-0.0000 ( 4780 PWs) bands (ev): -11.7355 -11.7355 -11.5086 -11.5086 -10.7804 -10.7804 -10.6523 -10.6523 -7.2647 -7.2647 -6.9912 -6.9912 -3.2343 -3.2343 -2.9818 -2.9818 -2.3278 -2.3278 -1.6743 -1.6743 -1.0966 -1.0966 -0.9087 -0.9087 -0.4408 -0.4408 -0.4134 -0.4134 -0.2846 -0.2846 0.8292 0.8292 1.9440 1.9440 2.3529 2.3529 2.4863 2.4863 2.7757 2.7757 k =-0.4491 0.4949-0.0000 ( 4788 PWs) bands (ev): -11.7304 -11.7304 -11.5076 -11.5076 -10.7867 -10.7867 -10.6660 -10.6660 -7.2541 -7.2541 -6.9877 -6.9877 -3.2405 -3.2405 -2.9733 -2.9733 -2.3173 -2.3173 -1.6649 -1.6649 -1.1026 -1.1026 -0.9501 -0.9501 -0.4332 -0.4332 -0.3747 -0.3747 -0.2571 -0.2571 0.8269 0.8269 1.9261 1.9261 2.3717 2.3717 2.4982 2.4982 2.7706 2.7706 k =-0.4406 0.5046-0.0000 ( 4788 PWs) bands (ev): -11.7245 -11.7245 -11.5065 -11.5065 -10.7939 -10.7939 -10.6817 -10.6817 -7.2419 -7.2419 -6.9836 -6.9836 -3.2471 -3.2471 -2.9636 -2.9636 -2.3049 -2.3049 -1.6538 -1.6538 -1.1106 -1.1106 -0.9925 -0.9925 -0.4266 -0.4266 -0.3326 -0.3326 -0.2243 -0.2243 0.8242 0.8242 1.9091 1.9091 2.3890 2.3890 2.5111 2.5111 2.7647 2.7647 k =-0.4406 0.5046-0.0000 ( 4788 PWs) bands (ev): -11.7245 -11.7245 -11.5065 -11.5065 -10.7939 -10.7939 -10.6817 -10.6817 -7.2419 -7.2419 -6.9836 -6.9836 -3.2471 -3.2471 -2.9636 -2.9636 -2.3049 -2.3049 -1.6538 -1.6538 -1.1106 -1.1106 -0.9925 -0.9925 -0.4266 -0.4266 -0.3326 -0.3326 -0.2243 -0.2243 0.8242 0.8242 1.9091 1.9091 2.3890 2.3890 2.5111 2.5111 2.7647 2.7647 k =-0.4406 0.5046 0.0132 ( 4790 PWs) bands (ev): -11.7241 -11.7241 -11.5070 -11.5070 -10.7936 -10.7936 -10.6819 -10.6819 -7.2415 -7.2415 -6.9841 -6.9841 -3.2463 -3.2463 -2.9636 -2.9636 -2.3041 -2.3041 -1.6560 -1.6560 -1.1112 -1.1112 -0.9937 -0.9937 -0.4236 -0.4236 -0.3348 -0.3348 -0.2225 -0.2225 0.8219 0.8219 1.9123 1.9123 2.3874 2.3874 2.5138 2.5138 2.7659 2.7659 k =-0.4406 0.5046 0.0263 ( 4792 PWs) bands (ev): -11.7231 -11.7231 -11.5086 -11.5086 -10.7926 -10.7926 -10.6823 -10.6823 -7.2402 -7.2402 -6.9858 -6.9858 -3.2436 -3.2436 -2.9638 -2.9638 -2.3016 -2.3016 -1.6627 -1.6627 -1.1128 -1.1128 -0.9973 -0.9973 -0.4144 -0.4144 -0.3408 -0.3408 -0.2176 -0.2176 0.8149 0.8149 1.9219 1.9219 2.3829 2.3829 2.5210 2.5210 2.7696 2.7696 k =-0.4406 0.5046 0.0395 ( 4799 PWs) bands (ev): -11.7214 -11.7214 -11.5111 -11.5111 -10.7911 -10.7911 -10.6830 -10.6830 -7.2380 -7.2380 -6.9885 -6.9885 -3.2391 -3.2391 -2.9642 -2.9642 -2.2975 -2.2975 -1.6734 -1.6734 -1.1155 -1.1155 -1.0032 -1.0032 -0.3997 -0.3997 -0.3490 -0.3490 -0.2110 -0.2110 0.8033 0.8033 1.9377 1.9377 2.3771 2.3771 2.5313 2.5313 2.7755 2.7755 k =-0.4406 0.5046 0.0526 ( 4799 PWs) bands (ev): -11.7190 -11.7190 -11.5147 -11.5147 -10.7889 -10.7889 -10.6840 -10.6840 -7.2349 -7.2349 -6.9923 -6.9923 -3.2330 -3.2330 -2.9647 -2.9647 -2.2918 -2.2918 -1.6880 -1.6880 -1.1193 -1.1193 -1.0111 -1.0111 -0.3809 -0.3809 -0.3566 -0.3566 -0.2042 -0.2042 0.7872 0.7872 1.9594 1.9594 2.3713 2.3713 2.5433 2.5433 2.7838 2.7838 k =-0.4406 0.5046 0.0658 ( 4805 PWs) bands (ev): -11.7159 -11.7159 -11.5191 -11.5191 -10.7862 -10.7862 -10.6853 -10.6853 -7.2310 -7.2310 -6.9970 -6.9970 -3.2253 -3.2253 -2.9656 -2.9656 -2.2845 -2.2845 -1.7059 -1.7059 -1.1242 -1.1242 -1.0208 -1.0208 -0.3729 -0.3729 -0.3481 -0.3481 -0.1980 -0.1980 0.7669 0.7669 1.9866 1.9866 2.3667 2.3667 2.5557 2.5557 2.7940 2.7940 k =-0.4406 0.5046 0.0789 ( 4802 PWs) bands (ev): -11.7122 -11.7122 -11.5244 -11.5244 -10.7830 -10.7830 -10.6868 -10.6868 -7.2263 -7.2263 -7.0028 -7.0028 -3.2160 -3.2160 -2.9668 -2.9668 -2.2755 -2.2755 -1.7267 -1.7267 -1.1302 -1.1302 -1.0318 -1.0318 -0.3790 -0.3790 -0.3199 -0.3199 -0.1933 -0.1933 0.7425 0.7425 2.0191 2.0191 2.3639 2.3639 2.5676 2.5676 2.8062 2.8062 k =-0.4406 0.5046 0.0921 ( 4806 PWs) bands (ev): -11.7078 -11.7078 -11.5305 -11.5305 -10.7794 -10.7794 -10.6887 -10.6887 -7.2208 -7.2208 -7.0094 -7.0094 -3.2054 -3.2054 -2.9686 -2.9686 -2.2649 -2.2649 -1.7499 -1.7499 -1.1370 -1.1370 -1.0441 -1.0441 -0.3850 -0.3850 -0.2861 -0.2861 -0.1904 -0.1904 0.7144 0.7144 2.0561 2.0561 2.3635 2.3635 2.5783 2.5783 2.8201 2.8201 k =-0.4406 0.5046 0.1052 ( 4799 PWs) bands (ev): -11.7028 -11.7028 -11.5372 -11.5372 -10.7753 -10.7753 -10.6908 -10.6908 -7.2145 -7.2145 -7.0169 -7.0169 -3.1935 -3.1935 -2.9709 -2.9709 -2.2528 -2.2528 -1.7750 -1.7750 -1.1445 -1.1445 -1.0571 -1.0571 -0.3891 -0.3891 -0.2489 -0.2489 -0.1893 -0.1893 0.6827 0.6827 2.0972 2.0972 2.3656 2.3656 2.5874 2.5874 2.8354 2.8354 k =-0.4406 0.5046 0.1184 ( 4801 PWs) bands (ev): -11.6973 -11.6973 -11.5447 -11.5447 -10.7710 -10.7710 -10.6932 -10.6932 -7.2075 -7.2075 -7.0252 -7.0252 -3.1806 -3.1806 -2.9740 -2.9740 -2.2392 -2.2392 -1.8016 -1.8016 -1.1522 -1.1522 -1.0708 -1.0708 -0.3908 -0.3908 -0.2123 -0.2123 -0.1871 -0.1871 0.6478 0.6478 2.1416 2.1416 2.3705 2.3705 2.5946 2.5946 2.8520 2.8520 k =-0.4406 0.5046 0.1315 ( 4797 PWs) bands (ev): -11.6911 -11.6911 -11.5526 -11.5526 -10.7664 -10.7664 -10.6959 -10.6959 -7.1998 -7.1998 -7.0341 -7.0341 -3.1667 -3.1667 -2.9779 -2.9779 -2.2240 -2.2240 -1.8293 -1.8293 -1.1599 -1.1599 -1.0848 -1.0848 -0.3898 -0.3898 -0.2015 -0.2015 -0.1588 -0.1588 0.6100 0.6100 2.1887 2.1887 2.3780 2.3780 2.5998 2.5998 2.8695 2.8695 k =-0.4406 0.5046 0.1447 ( 4797 PWs) bands (ev): -11.6845 -11.6845 -11.5611 -11.5611 -10.7615 -10.7615 -10.6988 -10.6988 -7.1915 -7.1915 -7.0437 -7.0437 -3.1522 -3.1522 -2.9828 -2.9828 -2.2074 -2.2074 -1.8577 -1.8577 -1.1672 -1.1672 -1.0989 -1.0989 -0.3862 -0.3862 -0.2068 -0.2068 -0.1146 -0.1146 0.5695 0.5695 2.2374 2.2374 2.3881 2.3881 2.6032 2.6032 2.8878 2.8878 k =-0.4406 0.5046 0.1578 ( 4789 PWs) bands (ev): -11.6773 -11.6773 -11.5699 -11.5699 -10.7566 -10.7566 -10.7021 -10.7021 -7.1826 -7.1826 -7.0537 -7.0537 -3.1371 -3.1371 -2.9887 -2.9887 -2.1893 -2.1893 -1.8864 -1.8864 -1.1735 -1.1735 -1.1128 -1.1128 -0.3799 -0.3799 -0.2156 -0.2156 -0.0674 -0.0674 0.5267 0.5267 2.2866 2.2866 2.4006 2.4006 2.6052 2.6052 2.9066 2.9066 k =-0.4406 0.5046 0.1710 ( 4793 PWs) bands (ev): -11.6697 -11.6697 -11.5790 -11.5790 -10.7515 -10.7515 -10.7056 -10.7056 -7.1731 -7.1731 -7.0642 -7.0642 -3.1218 -3.1218 -2.9958 -2.9958 -2.1699 -2.1699 -1.9153 -1.9153 -1.1785 -1.1785 -1.1262 -1.1262 -0.3711 -0.3711 -0.2268 -0.2268 -0.0185 -0.0185 0.4818 0.4818 2.3342 2.3342 2.4152 2.4152 2.6071 2.6071 2.9249 2.9249 k =-0.4406 0.5046 0.1841 ( 4797 PWs) bands (ev): -11.6616 -11.6616 -11.5883 -11.5883 -10.7464 -10.7464 -10.7093 -10.7093 -7.1631 -7.1631 -7.0750 -7.0750 -3.1064 -3.1064 -3.0040 -3.0040 -2.1491 -2.1491 -1.9440 -1.9440 -1.1819 -1.1819 -1.1389 -1.1389 -0.3602 -0.3602 -0.2397 -0.2397 0.0315 0.0315 0.4352 0.4352 2.3774 2.3774 2.4319 2.4319 2.6111 2.6111 2.9180 2.9180 k =-0.4406 0.5046 0.1973 ( 4791 PWs) bands (ev): -11.6532 -11.6532 -11.5978 -11.5978 -10.7414 -10.7414 -10.7133 -10.7133 -7.1528 -7.1528 -7.0861 -7.0861 -3.0912 -3.0912 -3.0135 -3.0135 -2.1270 -2.1270 -1.9724 -1.9724 -1.1835 -1.1835 -1.1504 -1.1504 -0.3474 -0.3474 -0.2541 -0.2541 0.0824 0.0824 0.3870 0.3870 2.4120 2.4120 2.4497 2.4497 2.6212 2.6212 2.8697 2.8697 k =-0.4406 0.5046 0.2104 ( 4791 PWs) bands (ev): -11.6444 -11.6444 -11.6073 -11.6073 -10.7363 -10.7363 -10.7176 -10.7176 -7.1421 -7.1421 -7.0974 -7.0974 -3.0763 -3.0763 -3.0240 -3.0240 -2.1037 -2.1037 -2.0003 -2.0003 -1.1830 -1.1830 -1.1606 -1.1606 -0.3332 -0.3332 -0.2695 -0.2695 0.1337 0.1337 0.3377 0.3377 2.4366 2.4366 2.4640 2.4640 2.6423 2.6423 2.8188 2.8188 k =-0.4406 0.5046 0.2236 ( 4795 PWs) bands (ev): -11.6354 -11.6354 -11.6168 -11.6168 -10.7314 -10.7314 -10.7220 -10.7220 -7.1311 -7.1311 -7.1087 -7.1087 -3.0620 -3.0620 -3.0357 -3.0357 -2.0793 -2.0793 -2.0275 -2.0275 -1.1805 -1.1805 -1.1691 -1.1691 -0.3178 -0.3178 -0.2856 -0.2856 0.1851 0.1851 0.2874 0.2874 2.4537 2.4537 2.4692 2.4692 2.6762 2.6762 2.7681 2.7681 k =-0.4406 0.5046 0.2367 ( 4794 PWs) bands (ev): -11.6262 -11.6262 -11.6262 -11.6262 -10.7266 -10.7266 -10.7266 -10.7266 -7.1199 -7.1199 -7.1199 -7.1199 -3.0484 -3.0484 -3.0484 -3.0484 -2.0539 -2.0539 -2.0539 -2.0539 -1.1758 -1.1758 -1.1758 -1.1758 -0.3018 -0.3018 -0.3018 -0.3018 0.2365 0.2365 0.2365 0.2365 2.4650 2.4650 2.4650 2.4650 2.7195 2.7195 2.7195 2.7195 k =-0.4406 0.5046 0.2367 ( 4794 PWs) bands (ev): -11.6262 -11.6262 -11.6262 -11.6262 -10.7266 -10.7266 -10.7266 -10.7266 -7.1199 -7.1199 -7.1199 -7.1199 -3.0484 -3.0484 -3.0484 -3.0484 -2.0539 -2.0539 -2.0539 -2.0539 -1.1758 -1.1758 -1.1758 -1.1758 -0.3018 -0.3018 -0.3018 -0.3018 0.2365 0.2365 0.2365 0.2365 2.4650 2.4650 2.4650 2.4650 2.7195 2.7195 2.7195 2.7195 k =-0.4491 0.4949 0.2367 ( 4798 PWs) bands (ev): -11.6302 -11.6302 -11.6302 -11.6302 -10.7144 -10.7144 -10.7144 -10.7144 -7.1288 -7.1288 -7.1288 -7.1288 -3.0480 -3.0480 -3.0480 -3.0480 -2.0658 -2.0658 -2.0658 -2.0658 -1.1346 -1.1346 -1.1346 -1.1346 -0.3701 -0.3701 -0.3701 -0.3701 0.2341 0.2341 0.2341 0.2341 2.4750 2.4750 2.4750 2.4750 2.7386 2.7386 2.7386 2.7386 k =-0.4576 0.4852 0.2367 ( 4798 PWs) bands (ev): -11.6338 -11.6338 -11.6338 -11.6338 -10.7039 -10.7039 -10.7039 -10.7039 -7.1365 -7.1365 -7.1365 -7.1365 -3.0479 -3.0479 -3.0479 -3.0479 -2.0759 -2.0759 -2.0759 -2.0759 -1.0907 -1.0907 -1.0907 -1.0907 -0.4373 -0.4373 -0.4373 -0.4373 0.2321 0.2321 0.2321 0.2321 2.4827 2.4827 2.4827 2.4827 2.7564 2.7564 2.7564 2.7564 k =-0.4661 0.4754 0.2367 ( 4790 PWs) bands (ev): -11.6367 -11.6367 -11.6367 -11.6367 -10.6951 -10.6951 -10.6951 -10.6951 -7.1429 -7.1429 -7.1429 -7.1429 -3.0478 -3.0478 -3.0478 -3.0478 -2.0842 -2.0842 -2.0842 -2.0842 -1.0446 -1.0446 -1.0446 -1.0446 -0.5025 -0.5025 -0.5025 -0.5025 0.2304 0.2304 0.2304 0.2304 2.4885 2.4885 2.4885 2.4885 2.7721 2.7721 2.7721 2.7721 k =-0.4745 0.4657 0.2367 ( 4786 PWs) bands (ev): -11.6390 -11.6390 -11.6390 -11.6390 -10.6882 -10.6882 -10.6882 -10.6882 -7.1479 -7.1479 -7.1479 -7.1479 -3.0479 -3.0479 -3.0479 -3.0479 -2.0906 -2.0906 -2.0906 -2.0906 -0.9978 -0.9978 -0.9978 -0.9978 -0.5644 -0.5644 -0.5644 -0.5644 0.2291 0.2291 0.2291 0.2291 2.4928 2.4928 2.4928 2.4928 2.7850 2.7850 2.7850 2.7850 k =-0.4830 0.4560 0.2367 ( 4782 PWs) bands (ev): -11.6407 -11.6407 -11.6407 -11.6407 -10.6832 -10.6832 -10.6832 -10.6832 -7.1516 -7.1516 -7.1516 -7.1516 -3.0479 -3.0479 -3.0479 -3.0479 -2.0952 -2.0952 -2.0952 -2.0952 -0.9528 -0.9528 -0.9528 -0.9528 -0.6202 -0.6202 -0.6202 -0.6202 0.2282 0.2282 0.2282 0.2282 2.4957 2.4957 2.4957 2.4957 2.7947 2.7947 2.7947 2.7947 k =-0.4915 0.4463 0.2367 ( 4780 PWs) bands (ev): -11.6417 -11.6417 -11.6417 -11.6417 -10.6802 -10.6802 -10.6802 -10.6802 -7.1538 -7.1538 -7.1538 -7.1538 -3.0480 -3.0480 -3.0480 -3.0480 -2.0980 -2.0980 -2.0980 -2.0980 -0.9160 -0.9160 -0.9160 -0.9160 -0.6634 -0.6634 -0.6634 -0.6634 0.2276 0.2276 0.2276 0.2276 2.4973 2.4973 2.4973 2.4973 2.8007 2.8007 2.8007 2.8007 k =-0.5000 0.4366 0.2367 ( 4780 PWs) bands (ev): -11.6420 -11.6420 -11.6420 -11.6420 -10.6792 -10.6792 -10.6792 -10.6792 -7.1545 -7.1545 -7.1545 -7.1545 -3.0480 -3.0480 -3.0480 -3.0480 -2.0989 -2.0989 -2.0989 -2.0989 -0.9004 -0.9004 -0.9004 -0.9004 -0.6812 -0.6812 -0.6812 -0.6812 0.2274 0.2274 0.2274 0.2274 2.4979 2.4979 2.4979 2.4979 2.8027 2.8027 2.8027 2.8027 k =-0.5000 0.4366 0.2367 ( 4780 PWs) bands (ev): -11.6420 -11.6420 -11.6420 -11.6420 -10.6792 -10.6792 -10.6792 -10.6792 -7.1545 -7.1545 -7.1545 -7.1545 -3.0480 -3.0480 -3.0480 -3.0480 -2.0989 -2.0989 -2.0989 -2.0989 -0.9004 -0.9004 -0.9004 -0.9004 -0.6812 -0.6812 -0.6812 -0.6812 0.2274 0.2274 0.2274 0.2274 2.4979 2.4979 2.4979 2.4979 2.8027 2.8027 2.8027 2.8027 k =-0.5000 0.4366 0.2236 ( 4780 PWs) bands (ev): -11.6520 -11.6520 -11.6319 -11.6319 -10.6854 -10.6854 -10.6732 -10.6732 -7.1670 -7.1670 -7.1418 -7.1418 -3.0581 -3.0581 -3.0390 -3.0390 -2.1245 -2.1245 -2.0723 -2.0723 -0.9098 -0.9098 -0.8892 -0.8892 -0.7108 -0.7108 -0.6503 -0.6503 0.1748 0.1748 0.2797 0.2797 2.4850 2.4850 2.5030 2.5030 2.7637 2.7637 2.8459 2.8459 k =-0.5000 0.4366 0.2104 ( 4784 PWs) bands (ev): -11.6617 -11.6617 -11.6216 -11.6216 -10.6918 -10.6918 -10.6674 -10.6674 -7.1793 -7.1793 -7.1291 -7.1291 -3.0690 -3.0690 -3.0310 -3.0310 -2.1491 -2.1491 -2.0449 -2.0449 -0.9178 -0.9178 -0.8759 -0.8759 -0.7386 -0.7386 -0.6189 -0.6189 0.1220 0.1220 0.3314 0.3314 2.4636 2.4636 2.5015 2.5015 2.7299 2.7299 2.8919 2.8919 k =-0.5000 0.4366 0.1973 ( 4800 PWs) bands (ev): -11.6711 -11.6711 -11.6113 -11.6113 -10.6983 -10.6983 -10.6618 -10.6618 -7.1913 -7.1913 -7.1164 -7.1164 -3.0806 -3.0806 -3.0240 -3.0240 -2.1726 -2.1726 -2.0168 -2.0168 -0.9252 -0.9252 -0.8603 -0.8603 -0.7635 -0.7635 -0.5874 -0.5874 0.0694 0.0694 0.3822 0.3822 2.4342 2.4342 2.4947 2.4947 2.7012 2.7012 2.9386 2.9386 k =-0.5000 0.4366 0.1841 ( 4796 PWs) bands (ev): -11.6802 -11.6802 -11.6011 -11.6011 -10.7048 -10.7048 -10.6566 -10.6566 -7.2029 -7.2029 -7.1039 -7.1039 -3.0929 -3.0929 -3.0181 -3.0181 -2.1948 -2.1948 -1.9882 -1.9882 -0.9330 -0.9330 -0.8426 -0.8426 -0.7844 -0.7844 -0.5563 -0.5563 0.0173 0.0173 0.4317 0.4317 2.3984 2.3984 2.4836 2.4836 2.6768 2.6768 2.9699 2.9699 k =-0.5000 0.4366 0.1710 ( 4800 PWs) bands (ev): -11.6888 -11.6888 -11.5909 -11.5909 -10.7114 -10.7114 -10.6517 -10.6517 -7.2139 -7.2139 -7.0916 -7.0916 -3.1056 -3.1056 -3.0133 -3.0133 -2.2157 -2.2157 -1.9593 -1.9593 -0.9424 -0.9424 -0.8232 -0.8232 -0.7999 -0.7999 -0.5261 -0.5261 -0.0340 -0.0340 0.4798 0.4798 2.3583 2.3583 2.4694 2.4694 2.6551 2.6551 2.9534 2.9534 k =-0.5000 0.4366 0.1578 ( 4804 PWs) bands (ev): -11.6970 -11.6970 -11.5810 -11.5810 -10.7179 -10.7179 -10.6470 -10.6470 -7.2245 -7.2245 -7.0797 -7.0797 -3.1185 -3.1185 -3.0094 -3.0094 -2.2354 -2.2354 -1.9302 -1.9302 -0.9541 -0.9541 -0.8132 -0.8132 -0.7983 -0.7983 -0.4972 -0.4972 -0.0841 -0.0841 0.5261 0.5261 2.3161 2.3161 2.4527 2.4527 2.6347 2.6347 2.9339 2.9339 k =-0.5000 0.4366 0.1447 ( 4804 PWs) bands (ev): -11.7047 -11.7047 -11.5714 -11.5714 -10.7243 -10.7243 -10.6428 -10.6428 -7.2344 -7.2344 -7.0682 -7.0682 -3.1314 -3.1314 -3.0065 -3.0065 -2.2536 -2.2536 -1.9012 -1.9012 -0.9682 -0.9682 -0.8168 -0.8168 -0.7758 -0.7758 -0.4701 -0.4701 -0.1328 -0.1328 0.5703 0.5703 2.2733 2.2733 2.4343 2.4343 2.6147 2.6147 2.9146 2.9146 k =-0.5000 0.4366 0.1315 ( 4814 PWs) bands (ev): -11.7118 -11.7118 -11.5621 -11.5621 -10.7305 -10.7305 -10.6388 -10.6388 -7.2436 -7.2436 -7.0573 -7.0573 -3.1441 -3.1441 -3.0043 -3.0043 -2.2703 -2.2703 -1.8726 -1.8726 -0.9839 -0.9839 -0.8167 -0.8167 -0.7510 -0.7510 -0.4452 -0.4452 -0.1797 -0.1797 0.6121 0.6121 2.2315 2.2315 2.4150 2.4150 2.5947 2.5947 2.8957 2.8957 k =-0.5000 0.4366 0.1184 ( 4808 PWs) bands (ev): -11.7184 -11.7184 -11.5534 -11.5534 -10.7364 -10.7364 -10.6353 -10.6353 -7.2521 -7.2521 -7.0471 -7.0471 -3.1563 -3.1563 -3.0028 -3.0028 -2.2856 -2.2856 -1.8448 -1.8448 -1.0004 -1.0004 -0.8134 -0.8134 -0.7251 -0.7251 -0.4228 -0.4228 -0.2243 -0.2243 0.6513 0.6513 2.1916 2.1916 2.3954 2.3954 2.5747 2.5747 2.8776 2.8776 k =-0.5000 0.4366 0.1052 ( 4796 PWs) bands (ev): -11.7243 -11.7243 -11.5452 -11.5452 -10.7420 -10.7420 -10.6321 -10.6321 -7.2599 -7.2599 -7.0376 -7.0376 -3.1680 -3.1680 -3.0018 -3.0018 -2.2993 -2.2993 -1.8180 -1.8180 -1.0166 -1.0166 -0.8079 -0.8079 -0.6987 -0.6987 -0.4033 -0.4033 -0.2661 -0.2661 0.6874 0.6874 2.1545 2.1545 2.3760 2.3760 2.5547 2.5547 2.8606 2.8606 k =-0.5000 0.4366 0.0921 ( 4802 PWs) bands (ev): -11.7296 -11.7296 -11.5377 -11.5377 -10.7472 -10.7472 -10.6292 -10.6292 -7.2668 -7.2668 -7.0290 -7.0290 -3.1788 -3.1788 -3.0013 -3.0013 -2.3115 -2.3115 -1.7926 -1.7926 -1.0318 -1.0318 -0.8011 -0.8011 -0.6724 -0.6724 -0.3870 -0.3870 -0.3047 -0.3047 0.7202 0.7202 2.1207 2.1207 2.3574 2.3574 2.5353 2.5353 2.8447 2.8447 k =-0.5000 0.4366 0.0789 ( 4804 PWs) bands (ev): -11.7342 -11.7342 -11.5310 -11.5310 -10.7518 -10.7518 -10.6268 -10.6268 -7.2729 -7.2729 -7.0214 -7.0214 -3.1886 -3.1886 -3.0012 -3.0012 -2.3221 -2.3221 -1.7693 -1.7693 -1.0457 -1.0457 -0.7938 -0.7938 -0.6470 -0.6470 -0.3746 -0.3746 -0.3388 -0.3388 0.7494 0.7494 2.0907 2.0907 2.3402 2.3402 2.5169 2.5169 2.8303 2.8303 k =-0.5000 0.4366 0.0658 ( 4800 PWs) bands (ev): -11.7382 -11.7382 -11.5252 -11.5252 -10.7559 -10.7559 -10.6247 -10.6247 -7.2781 -7.2781 -7.0147 -7.0147 -3.1971 -3.1971 -3.0012 -3.0012 -2.3311 -2.3311 -1.7483 -1.7483 -1.0579 -1.0579 -0.7867 -0.7867 -0.6230 -0.6230 -0.3760 -0.3760 -0.3582 -0.3582 0.7747 0.7747 2.0650 2.0650 2.3248 2.3248 2.4999 2.4999 2.8177 2.8177 k =-0.5000 0.4366 0.0526 ( 4796 PWs) bands (ev): -11.7415 -11.7415 -11.5203 -11.5203 -10.7594 -10.7594 -10.6230 -10.6230 -7.2823 -7.2823 -7.0092 -7.0092 -3.2044 -3.2044 -3.0014 -3.0014 -2.3386 -2.3386 -1.7302 -1.7302 -1.0681 -1.0681 -0.7802 -0.7802 -0.6015 -0.6015 -0.3991 -0.3991 -0.3540 -0.3540 0.7958 0.7958 2.0438 2.0438 2.3115 2.3115 2.4851 2.4851 2.8070 2.8070 k =-0.5000 0.4366 0.0395 ( 4794 PWs) bands (ev): -11.7440 -11.7440 -11.5164 -11.5164 -10.7622 -10.7622 -10.6217 -10.6217 -7.2857 -7.2857 -7.0049 -7.0049 -3.2101 -3.2101 -3.0016 -3.0016 -2.3443 -2.3443 -1.7156 -1.7156 -1.0762 -1.0762 -0.7747 -0.7747 -0.5833 -0.5833 -0.4196 -0.4196 -0.3498 -0.3498 0.8125 0.8125 2.0272 2.0272 2.3009 2.3009 2.4729 2.4729 2.7985 2.7985 k =-0.5000 0.4366 0.0263 ( 4798 PWs) bands (ev): -11.7459 -11.7459 -11.5136 -11.5136 -10.7642 -10.7642 -10.6207 -10.6207 -7.2881 -7.2881 -7.0017 -7.0017 -3.2143 -3.2143 -3.0019 -3.0019 -2.3485 -2.3485 -1.7047 -1.7047 -1.0820 -1.0820 -0.7705 -0.7705 -0.5694 -0.5694 -0.4346 -0.4346 -0.3473 -0.3473 0.8246 0.8246 2.0153 2.0153 2.2930 2.2930 2.4638 2.4638 2.7922 2.7922 k =-0.5000 0.4366 0.0132 ( 4798 PWs) bands (ev): -11.7470 -11.7470 -11.5119 -11.5119 -10.7654 -10.7654 -10.6201 -10.6201 -7.2895 -7.2895 -6.9998 -6.9998 -3.2169 -3.2169 -3.0020 -3.0020 -2.3509 -2.3509 -1.6981 -1.6981 -1.0856 -1.0856 -0.7680 -0.7680 -0.5607 -0.5607 -0.4438 -0.4438 -0.3461 -0.3461 0.8319 0.8319 2.0081 2.0081 2.2883 2.2883 2.4582 2.4582 2.7884 2.7884 k =-0.5000 0.4366 0.0000 ( 4806 PWs) bands (ev): -11.7474 -11.7474 -11.5113 -11.5113 -10.7658 -10.7658 -10.6199 -10.6199 -7.2900 -7.2900 -6.9992 -6.9992 -3.2177 -3.2177 -3.0021 -3.0021 -2.3518 -2.3518 -1.6958 -1.6958 -1.0868 -1.0868 -0.7671 -0.7671 -0.5577 -0.5577 -0.4469 -0.4469 -0.3458 -0.3458 0.8344 0.8344 2.0057 2.0057 2.2867 2.2867 2.4563 2.4563 2.7871 2.7871 k = 0.0000 0.0000 0.2367 ( 4818 PWs) bands (ev): -12.0737 -12.0737 -12.0737 -12.0737 -10.6524 -10.6524 -10.6524 -10.6524 -6.7780 -6.7780 -6.7780 -6.7780 -2.9411 -2.9411 -2.9411 -2.9411 -0.8731 -0.8731 -0.8731 -0.8731 -0.3092 -0.3092 -0.3092 -0.3092 -0.0021 -0.0021 -0.0021 -0.0021 0.3197 0.3197 0.3197 0.3197 1.6832 1.6832 1.6832 1.6832 2.4138 2.4138 2.4138 2.4138 k =-0.0100 0.0087 0.2367 ( 4814 PWs) bands (ev): -12.0733 -12.0733 -12.0733 -12.0733 -10.6524 -10.6524 -10.6524 -10.6524 -6.7784 -6.7784 -6.7783 -6.7783 -2.9413 -2.9413 -2.9412 -2.9412 -0.8744 -0.8744 -0.8739 -0.8739 -0.3121 -0.3121 -0.3106 -0.3106 -0.0030 -0.0030 -0.0006 -0.0006 0.3198 0.3198 0.3203 0.3203 1.6844 1.6844 1.6845 1.6845 2.4139 2.4139 2.4146 2.4146 k =-0.0200 0.0175 0.2367 ( 4806 PWs) bands (ev): -12.0721 -12.0721 -12.0721 -12.0721 -10.6525 -10.6525 -10.6525 -10.6525 -6.7796 -6.7796 -6.7796 -6.7796 -2.9419 -2.9419 -2.9417 -2.9417 -0.8779 -0.8779 -0.8769 -0.8769 -0.3192 -0.3192 -0.3161 -0.3161 -0.0032 -0.0032 0.0014 0.0014 0.3204 0.3204 0.3214 0.3214 1.6882 1.6882 1.6882 1.6882 2.4150 2.4150 2.4164 2.4164 k =-0.0300 0.0262 0.2367 ( 4796 PWs) bands (ev): -12.0702 -12.0702 -12.0701 -12.0701 -10.6526 -10.6526 -10.6526 -10.6526 -6.7817 -6.7817 -6.7816 -6.7816 -2.9429 -2.9429 -2.9426 -2.9426 -0.8835 -0.8835 -0.8820 -0.8820 -0.3303 -0.3303 -0.3258 -0.3258 -0.0029 -0.0029 0.0038 0.0038 0.3218 0.3218 0.3232 0.3232 1.6944 1.6944 1.6946 1.6946 2.4170 2.4170 2.4191 2.4191 k =-0.0400 0.0349 0.2367 ( 4800 PWs) bands (ev): -12.0674 -12.0674 -12.0674 -12.0674 -10.6527 -10.6527 -10.6527 -10.6527 -6.7845 -6.7845 -6.7844 -6.7844 -2.9443 -2.9443 -2.9438 -2.9438 -0.8910 -0.8910 -0.8892 -0.8892 -0.3453 -0.3453 -0.3396 -0.3396 -0.0025 -0.0025 0.0063 0.0063 0.3238 0.3238 0.3257 0.3257 1.7031 1.7031 1.7033 1.7033 2.4199 2.4199 2.4226 2.4226 k =-0.0500 0.0437 0.2367 ( 4792 PWs) bands (ev): -12.0639 -12.0639 -12.0639 -12.0639 -10.6529 -10.6529 -10.6529 -10.6529 -6.7882 -6.7882 -6.7880 -6.7880 -2.9460 -2.9460 -2.9454 -2.9454 -0.9003 -0.9003 -0.8981 -0.8981 -0.3641 -0.3641 -0.3572 -0.3572 -0.0021 -0.0021 0.0084 0.0084 0.3268 0.3268 0.3290 0.3290 1.7143 1.7143 1.7145 1.7145 2.4237 2.4237 2.4270 2.4270 k =-0.0600 0.0524 0.2367 ( 4790 PWs) bands (ev): -12.0597 -12.0597 -12.0597 -12.0597 -10.6532 -10.6532 -10.6531 -10.6531 -6.7926 -6.7926 -6.7924 -6.7924 -2.9481 -2.9481 -2.9474 -2.9474 -0.9112 -0.9112 -0.9086 -0.9086 -0.3863 -0.3863 -0.3784 -0.3784 -0.0022 -0.0022 0.0097 0.0097 0.3306 0.3306 0.3332 0.3332 1.7278 1.7278 1.7281 1.7281 2.4282 2.4282 2.4322 2.4322 k =-0.0700 0.0611 0.2367 ( 4790 PWs) bands (ev): -12.0547 -12.0547 -12.0547 -12.0547 -10.6534 -10.6534 -10.6534 -10.6534 -6.7977 -6.7977 -6.7975 -6.7975 -2.9505 -2.9505 -2.9496 -2.9496 -0.9235 -0.9235 -0.9207 -0.9207 -0.4118 -0.4118 -0.4030 -0.4030 -0.0032 -0.0032 0.0099 0.0099 0.3356 0.3356 0.3383 0.3383 1.7435 1.7435 1.7440 1.7440 2.4335 2.4335 2.4381 2.4381 k =-0.0800 0.0699 0.2367 ( 4774 PWs) bands (ev): -12.0490 -12.0490 -12.0490 -12.0490 -10.6537 -10.6537 -10.6537 -10.6537 -6.8036 -6.8036 -6.8033 -6.8033 -2.9531 -2.9531 -2.9522 -2.9522 -0.9370 -0.9370 -0.9339 -0.9339 -0.4404 -0.4404 -0.4307 -0.4307 -0.0055 -0.0055 0.0087 0.0087 0.3417 0.3417 0.3445 0.3445 1.7615 1.7615 1.7621 1.7621 2.4394 2.4394 2.4446 2.4446 k =-0.0900 0.0786 0.2367 ( 4770 PWs) bands (ev): -12.0426 -12.0426 -12.0426 -12.0426 -10.6541 -10.6541 -10.6540 -10.6540 -6.8102 -6.8102 -6.8099 -6.8099 -2.9561 -2.9561 -2.9550 -2.9550 -0.9514 -0.9514 -0.9482 -0.9482 -0.4717 -0.4717 -0.4613 -0.4613 -0.0094 -0.0094 0.0055 0.0055 0.3491 0.3491 0.3519 0.3519 1.7816 1.7816 1.7823 1.7823 2.4460 2.4460 2.4517 2.4517 k =-0.1000 0.0873 0.2367 ( 4768 PWs) bands (ev): -12.0355 -12.0355 -12.0355 -12.0355 -10.6545 -10.6545 -10.6544 -10.6544 -6.8174 -6.8174 -6.8171 -6.8171 -2.9593 -2.9593 -2.9581 -2.9581 -0.9667 -0.9667 -0.9634 -0.9634 -0.5056 -0.5056 -0.4945 -0.4945 -0.0151 -0.0151 0.0002 0.0002 0.3577 0.3577 0.3603 0.3603 1.8036 1.8036 1.8045 1.8045 2.4530 2.4530 2.4593 2.4593 k =-0.1100 0.0960 0.2367 ( 4764 PWs) bands (ev): -12.0277 -12.0277 -12.0277 -12.0277 -10.6549 -10.6549 -10.6549 -10.6549 -6.8252 -6.8252 -6.8249 -6.8249 -2.9627 -2.9627 -2.9614 -2.9614 -0.9825 -0.9825 -0.9792 -0.9792 -0.5418 -0.5418 -0.5300 -0.5300 -0.0230 -0.0230 -0.0073 -0.0073 0.3676 0.3676 0.3699 0.3699 1.8275 1.8275 1.8286 1.8286 2.4605 2.4605 2.4672 2.4672 k =-0.1200 0.1048 0.2367 ( 4770 PWs) bands (ev): -12.0193 -12.0193 -12.0193 -12.0193 -10.6554 -10.6554 -10.6553 -10.6553 -6.8336 -6.8336 -6.8333 -6.8333 -2.9663 -2.9663 -2.9648 -2.9648 -0.9988 -0.9988 -0.9956 -0.9956 -0.5801 -0.5801 -0.5676 -0.5676 -0.0329 -0.0329 -0.0172 -0.0172 0.3785 0.3785 0.3804 0.3804 1.8529 1.8529 1.8543 1.8543 2.4684 2.4684 2.4755 2.4756 k =-0.1300 0.1135 0.2367 ( 4766 PWs) bands (ev): -12.0103 -12.0103 -12.0103 -12.0103 -10.6559 -10.6559 -10.6558 -10.6558 -6.8426 -6.8426 -6.8422 -6.8422 -2.9701 -2.9701 -2.9685 -2.9685 -1.0155 -1.0155 -1.0125 -1.0125 -0.6200 -0.6200 -0.6069 -0.6069 -0.0450 -0.0450 -0.0293 -0.0293 0.3903 0.3903 0.3917 0.3917 1.8799 1.8799 1.8815 1.8815 2.4766 2.4766 2.4841 2.4841 k =-0.1400 0.1222 0.2367 ( 4762 PWs) bands (ev): -12.0007 -12.0007 -12.0007 -12.0007 -10.6564 -10.6564 -10.6564 -10.6564 -6.8521 -6.8521 -6.8516 -6.8516 -2.9740 -2.9740 -2.9723 -2.9723 -1.0325 -1.0325 -1.0297 -1.0297 -0.6613 -0.6613 -0.6476 -0.6476 -0.0591 -0.0591 -0.0436 -0.0436 0.4028 0.4028 0.4036 0.4036 1.9081 1.9081 1.9101 1.9101 2.4851 2.4851 2.4930 2.4930 k =-0.1500 0.1310 0.2367 ( 4754 PWs) bands (ev): -11.9906 -11.9906 -11.9905 -11.9905 -10.6570 -10.6570 -10.6569 -10.6569 -6.8620 -6.8620 -6.8615 -6.8615 -2.9779 -2.9779 -2.9761 -2.9761 -1.0499 -1.0499 -1.0474 -1.0474 -0.7037 -0.7037 -0.6893 -0.6893 -0.0751 -0.0751 -0.0598 -0.0598 0.4157 0.4157 0.4159 0.4159 1.9374 1.9374 1.9397 1.9397 2.4939 2.4939 2.5019 2.5019 k =-0.1600 0.1397 0.2367 ( 4760 PWs) bands (ev): -11.9799 -11.9799 -11.9798 -11.9798 -10.6576 -10.6576 -10.6576 -10.6576 -6.8723 -6.8723 -6.8718 -6.8718 -2.9820 -2.9820 -2.9801 -2.9801 -1.0676 -1.0676 -1.0655 -1.0655 -0.7467 -0.7467 -0.7317 -0.7317 -0.0929 -0.0929 -0.0779 -0.0779 0.4283 0.4283 0.4287 0.4287 1.9675 1.9675 1.9702 1.9702 2.5028 2.5028 2.5110 2.5110 k =-0.1700 0.1484 0.2367 ( 4764 PWs) bands (ev): -11.9687 -11.9687 -11.9687 -11.9687 -10.6583 -10.6583 -10.6582 -10.6582 -6.8830 -6.8830 -6.8825 -6.8825 -2.9861 -2.9861 -2.9841 -2.9841 -1.0859 -1.0859 -1.0843 -1.0843 -0.7899 -0.7899 -0.7740 -0.7740 -0.1122 -0.1122 -0.0976 -0.0976 0.4405 0.4405 0.4416 0.4416 1.9982 1.9982 2.0014 2.0014 2.5120 2.5120 2.5202 2.5202 k =-0.1800 0.1572 0.2367 ( 4772 PWs) bands (ev): -11.9571 -11.9571 -11.9571 -11.9571 -10.6589 -10.6589 -10.6589 -10.6589 -6.8939 -6.8939 -6.8935 -6.8935 -2.9903 -2.9903 -2.9881 -2.9881 -1.1052 -1.1052 -1.1042 -1.1042 -0.8324 -0.8324 -0.8158 -0.8158 -0.1329 -0.1329 -0.1187 -0.1187 0.4523 0.4523 0.4540 0.4540 2.0293 2.0293 2.0330 2.0330 2.5213 2.5213 2.5295 2.5295 k =-0.1900 0.1659 0.2367 ( 4768 PWs) bands (ev): -11.9451 -11.9451 -11.9451 -11.9451 -10.6597 -10.6597 -10.6596 -10.6596 -6.9052 -6.9052 -6.9047 -6.9047 -2.9944 -2.9944 -2.9921 -2.9921 -1.1260 -1.1260 -1.1255 -1.1255 -0.8735 -0.8735 -0.8562 -0.8562 -0.1548 -0.1548 -0.1410 -0.1410 0.4635 0.4635 0.4659 0.4659 2.0605 2.0605 2.0648 2.0648 2.5308 2.5308 2.5389 2.5389 k =-0.2000 0.1746 0.2367 ( 4770 PWs) bands (ev): -11.9328 -11.9328 -11.9327 -11.9327 -10.6604 -10.6604 -10.6604 -10.6604 -6.9167 -6.9167 -6.9161 -6.9161 -2.9984 -2.9984 -2.9960 -2.9960 -1.1490 -1.1490 -1.1490 -1.1490 -0.9122 -0.9122 -0.8943 -0.8943 -0.1776 -0.1776 -0.1643 -0.1643 0.4738 0.4738 0.4768 0.4768 2.0916 2.0916 2.0965 2.0965 2.5406 2.5406 2.5484 2.5484 k =-0.2100 0.1834 0.2367 ( 4774 PWs) bands (ev): -11.9201 -11.9201 -11.9200 -11.9200 -10.6612 -10.6612 -10.6611 -10.6611 -6.9283 -6.9283 -6.9278 -6.9278 -3.0024 -3.0024 -2.9999 -2.9999 -1.1755 -1.1755 -1.1751 -1.1751 -0.9474 -0.9474 -0.9291 -0.9291 -0.2013 -0.2013 -0.1884 -0.1884 0.4831 0.4831 0.4867 0.4867 2.1225 2.1225 2.1278 2.1278 2.5506 2.5506 2.5579 2.5579 k =-0.2200 0.1921 0.2367 ( 4770 PWs) bands (ev): -11.9071 -11.9071 -11.9071 -11.9071 -10.6620 -10.6620 -10.6619 -10.6619 -6.9400 -6.9400 -6.9395 -6.9395 -3.0064 -3.0064 -3.0038 -3.0038 -1.2054 -1.2054 -1.2050 -1.2050 -0.9779 -0.9779 -0.9595 -0.9595 -0.2256 -0.2256 -0.2132 -0.2132 0.4911 0.4911 0.4953 0.4953 2.1527 2.1527 2.1587 2.1587 2.5609 2.5609 2.5676 2.5676 k =-0.2300 0.2008 0.2367 ( 4774 PWs) bands (ev): -11.8939 -11.8939 -11.8939 -11.8939 -10.6628 -10.6628 -10.6627 -10.6627 -6.9519 -6.9519 -6.9513 -6.9513 -3.0102 -3.0102 -3.0075 -3.0075 -1.2393 -1.2393 -1.2392 -1.2392 -1.0032 -1.0032 -0.9852 -0.9852 -0.2503 -0.2503 -0.2383 -0.2383 0.4977 0.4977 0.5025 0.5025 2.1822 2.1822 2.1887 2.1887 2.5715 2.5715 2.5774 2.5774 k =-0.2400 0.2096 0.2367 ( 4770 PWs) bands (ev): -11.8806 -11.8806 -11.8805 -11.8805 -10.6636 -10.6636 -10.6636 -10.6636 -6.9637 -6.9637 -6.9632 -6.9632 -3.0139 -3.0139 -3.0111 -3.0111 -1.2773 -1.2773 -1.2769 -1.2769 -1.0233 -1.0233 -1.0059 -1.0059 -0.2753 -0.2753 -0.2638 -0.2638 0.5026 0.5026 0.5080 0.5080 2.2107 2.2107 2.2177 2.2177 2.5824 2.5824 2.5872 2.5872 k =-0.2500 0.2183 0.2367 ( 4768 PWs) bands (ev): -11.8671 -11.8671 -11.8670 -11.8670 -10.6645 -10.6645 -10.6644 -10.6644 -6.9755 -6.9755 -6.9750 -6.9750 -3.0174 -3.0174 -3.0145 -3.0145 -1.3188 -1.3188 -1.3176 -1.3176 -1.0386 -1.0386 -1.0220 -1.0220 -0.3004 -0.3004 -0.2893 -0.2893 0.5059 0.5059 0.5117 0.5117 2.2381 2.2381 2.2456 2.2456 2.5936 2.5936 2.5973 2.5973 k =-0.2600 0.2270 0.2367 ( 4776 PWs) bands (ev): -11.8536 -11.8536 -11.8535 -11.8535 -10.6653 -10.6653 -10.6653 -10.6653 -6.9872 -6.9872 -6.9867 -6.9867 -3.0208 -3.0208 -3.0178 -3.0178 -1.3628 -1.3628 -1.3608 -1.3608 -1.0498 -1.0498 -1.0340 -1.0340 -0.3255 -0.3255 -0.3149 -0.3149 0.5073 0.5073 0.5136 0.5136 2.2641 2.2641 2.2719 2.2719 2.6052 2.6052 2.6073 2.6073 k =-0.2700 0.2357 0.2367 ( 4780 PWs) bands (ev): -11.8400 -11.8400 -11.8399 -11.8399 -10.6662 -10.6662 -10.6661 -10.6661 -6.9989 -6.9989 -6.9984 -6.9984 -3.0241 -3.0241 -3.0210 -3.0210 -1.4083 -1.4083 -1.4057 -1.4057 -1.0576 -1.0576 -1.0425 -1.0425 -0.3505 -0.3505 -0.3403 -0.3403 0.5067 0.5067 0.5136 0.5136 2.2886 2.2886 2.2968 2.2968 2.6170 2.6170 2.6175 2.6175 k =-0.2800 0.2445 0.2367 ( 4780 PWs) bands (ev): -11.8265 -11.8265 -11.8264 -11.8264 -10.6670 -10.6670 -10.6670 -10.6670 -7.0103 -7.0103 -7.0098 -7.0098 -3.0271 -3.0271 -3.0239 -3.0239 -1.4547 -1.4547 -1.4516 -1.4516 -1.0624 -1.0624 -1.0481 -1.0481 -0.3751 -0.3751 -0.3654 -0.3654 0.5042 0.5042 0.5115 0.5115 2.3116 2.3116 2.3199 2.3199 2.6277 2.6277 2.6290 2.6290 k =-0.2900 0.2532 0.2367 ( 4792 PWs) bands (ev): -11.8130 -11.8130 -11.8129 -11.8129 -10.6679 -10.6679 -10.6679 -10.6679 -7.0216 -7.0216 -7.0211 -7.0211 -3.0300 -3.0300 -3.0267 -3.0267 -1.5015 -1.5015 -1.4979 -1.4979 -1.0647 -1.0647 -1.0510 -1.0510 -0.3994 -0.3994 -0.3901 -0.3901 0.4997 0.4997 0.5073 0.5073 2.3330 2.3330 2.3414 2.3414 2.6379 2.6379 2.6411 2.6411 k =-0.3000 0.2619 0.2367 ( 4796 PWs) bands (ev): -11.7997 -11.7997 -11.7996 -11.7996 -10.6688 -10.6688 -10.6687 -10.6687 -7.0326 -7.0326 -7.0321 -7.0321 -3.0326 -3.0326 -3.0293 -3.0293 -1.5482 -1.5482 -1.5442 -1.5442 -1.0647 -1.0647 -1.0516 -1.0516 -0.4231 -0.4231 -0.4143 -0.4143 0.4932 0.4932 0.5012 0.5012 2.3528 2.3528 2.3611 2.3611 2.6480 2.6480 2.6532 2.6532 k =-0.3100 0.2707 0.2367 ( 4796 PWs) bands (ev): -11.7866 -11.7866 -11.7865 -11.7865 -10.6696 -10.6696 -10.6696 -10.6696 -7.0434 -7.0434 -7.0429 -7.0429 -3.0351 -3.0351 -3.0317 -3.0317 -1.5943 -1.5943 -1.5900 -1.5900 -1.0627 -1.0627 -1.0501 -1.0501 -0.4462 -0.4462 -0.4378 -0.4378 0.4848 0.4848 0.4930 0.4930 2.3711 2.3711 2.3791 2.3791 2.6581 2.6581 2.6652 2.6652 k =-0.3200 0.2794 0.2367 ( 4796 PWs) bands (ev): -11.7737 -11.7737 -11.7737 -11.7737 -10.6705 -10.6705 -10.6704 -10.6704 -7.0538 -7.0538 -7.0533 -7.0533 -3.0373 -3.0373 -3.0339 -3.0339 -1.6396 -1.6396 -1.6351 -1.6351 -1.0589 -1.0589 -1.0468 -1.0468 -0.4687 -0.4687 -0.4607 -0.4607 0.4745 0.4745 0.4828 0.4828 2.3877 2.3877 2.3954 2.3954 2.6680 2.6680 2.6770 2.6770 k =-0.3300 0.2881 0.2367 ( 4792 PWs) bands (ev): -11.7612 -11.7612 -11.7612 -11.7612 -10.6713 -10.6713 -10.6713 -10.6713 -7.0638 -7.0638 -7.0634 -7.0634 -3.0393 -3.0393 -3.0359 -3.0359 -1.6839 -1.6839 -1.6792 -1.6792 -1.0535 -1.0535 -1.0418 -1.0418 -0.4903 -0.4903 -0.4827 -0.4827 0.4623 0.4623 0.4709 0.4709 2.4028 2.4028 2.4102 2.4102 2.6779 2.6779 2.6884 2.6884 k =-0.3400 0.2969 0.2367 ( 4790 PWs) bands (ev): -11.7490 -11.7490 -11.7490 -11.7490 -10.6721 -10.6721 -10.6721 -10.6721 -7.0735 -7.0735 -7.0731 -7.0731 -3.0411 -3.0411 -3.0377 -3.0377 -1.7268 -1.7268 -1.7221 -1.7221 -1.0466 -1.0466 -1.0353 -1.0353 -0.5111 -0.5111 -0.5039 -0.5039 0.4486 0.4486 0.4572 0.4572 2.4165 2.4165 2.4234 2.4234 2.6876 2.6876 2.6996 2.6996 k =-0.3500 0.3056 0.2367 ( 4782 PWs) bands (ev): -11.7373 -11.7373 -11.7372 -11.7372 -10.6729 -10.6729 -10.6728 -10.6728 -7.0827 -7.0827 -7.0823 -7.0823 -3.0427 -3.0427 -3.0393 -3.0393 -1.7681 -1.7681 -1.7634 -1.7634 -1.0384 -1.0384 -1.0275 -1.0275 -0.5309 -0.5309 -0.5241 -0.5241 0.4334 0.4334 0.4420 0.4420 2.4287 2.4287 2.4351 2.4351 2.6973 2.6973 2.7104 2.7104 k =-0.3600 0.3143 0.2367 ( 4776 PWs) bands (ev): -11.7260 -11.7260 -11.7260 -11.7260 -10.6736 -10.6736 -10.6736 -10.6736 -7.0915 -7.0915 -7.0911 -7.0911 -3.0441 -3.0441 -3.0408 -3.0408 -1.8077 -1.8077 -1.8031 -1.8031 -1.0290 -1.0290 -1.0186 -1.0186 -0.5497 -0.5497 -0.5433 -0.5433 0.4169 0.4169 0.4255 0.4255 2.4397 2.4397 2.4456 2.4456 2.7069 2.7069 2.7208 2.7208 k =-0.3700 0.3231 0.2367 ( 4772 PWs) bands (ev): -11.7153 -11.7153 -11.7152 -11.7152 -10.6743 -10.6743 -10.6743 -10.6743 -7.0998 -7.0998 -7.0995 -7.0995 -3.0453 -3.0453 -3.0420 -3.0420 -1.8454 -1.8454 -1.8408 -1.8408 -1.0187 -1.0187 -1.0087 -1.0087 -0.5674 -0.5674 -0.5615 -0.5615 0.3994 0.3994 0.4078 0.4078 2.4493 2.4493 2.4547 2.4547 2.7164 2.7164 2.7308 2.7308 k =-0.3800 0.3318 0.2367 ( 4780 PWs) bands (ev): -11.7051 -11.7051 -11.7050 -11.7050 -10.6750 -10.6750 -10.6750 -10.6750 -7.1076 -7.1076 -7.1073 -7.1073 -3.0463 -3.0463 -3.0431 -3.0431 -1.8811 -1.8811 -1.8766 -1.8766 -1.0075 -1.0075 -0.9980 -0.9980 -0.5840 -0.5840 -0.5785 -0.5785 0.3812 0.3812 0.3894 0.3894 2.4578 2.4578 2.4627 2.4627 2.7259 2.7259 2.7404 2.7404 k =-0.3900 0.3405 0.2367 ( 4776 PWs) bands (ev): -11.6955 -11.6955 -11.6955 -11.6955 -10.6756 -10.6756 -10.6756 -10.6756 -7.1149 -7.1149 -7.1146 -7.1146 -3.0471 -3.0471 -3.0440 -3.0440 -1.9144 -1.9144 -1.9101 -1.9101 -0.9958 -0.9958 -0.9868 -0.9868 -0.5994 -0.5994 -0.5943 -0.5943 0.3625 0.3625 0.3705 0.3705 2.4653 2.4653 2.4696 2.4696 2.7352 2.7352 2.7496 2.7496 k =-0.4000 0.3493 0.2367 ( 4780 PWs) bands (ev): -11.6866 -11.6866 -11.6866 -11.6866 -10.6762 -10.6762 -10.6762 -10.6762 -7.1216 -7.1216 -7.1213 -7.1213 -3.0477 -3.0477 -3.0448 -3.0448 -1.9454 -1.9454 -1.9414 -1.9414 -0.9837 -0.9837 -0.9752 -0.9752 -0.6136 -0.6136 -0.6089 -0.6089 0.3437 0.3437 0.3513 0.3513 2.4717 2.4717 2.4756 2.4756 2.7443 2.7443 2.7584 2.7584 k =-0.4100 0.3580 0.2367 ( 4782 PWs) bands (ev): -11.6784 -11.6784 -11.6784 -11.6784 -10.6768 -10.6768 -10.6767 -10.6767 -7.1278 -7.1278 -7.1275 -7.1275 -3.0481 -3.0481 -3.0454 -3.0454 -1.9739 -1.9739 -1.9701 -1.9701 -0.9716 -0.9716 -0.9636 -0.9636 -0.6265 -0.6265 -0.6222 -0.6222 0.3251 0.3251 0.3323 0.3323 2.4772 2.4772 2.4807 2.4807 2.7532 2.7532 2.7666 2.7666 k =-0.4200 0.3667 0.2367 ( 4790 PWs) bands (ev): -11.6710 -11.6710 -11.6710 -11.6710 -10.6773 -10.6773 -10.6772 -10.6772 -7.1333 -7.1333 -7.1331 -7.1331 -3.0485 -3.0485 -3.0459 -3.0459 -1.9997 -1.9997 -1.9962 -1.9962 -0.9595 -0.9595 -0.9522 -0.9522 -0.6381 -0.6381 -0.6342 -0.6342 0.3072 0.3072 0.3138 0.3138 2.4819 2.4819 2.4849 2.4849 2.7617 2.7617 2.7743 2.7743 k =-0.4300 0.3755 0.2367 ( 4798 PWs) bands (ev): -11.6644 -11.6644 -11.6643 -11.6643 -10.6777 -10.6777 -10.6777 -10.6777 -7.1382 -7.1382 -7.1380 -7.1380 -3.0486 -3.0486 -3.0464 -3.0464 -2.0227 -2.0227 -2.0195 -2.0195 -0.9479 -0.9479 -0.9412 -0.9412 -0.6484 -0.6484 -0.6449 -0.6449 0.2902 0.2902 0.2962 0.2962 2.4858 2.4858 2.4884 2.4884 2.7697 2.7697 2.7812 2.7812 k =-0.4400 0.3842 0.2367 ( 4794 PWs) bands (ev): -11.6585 -11.6585 -11.6585 -11.6585 -10.6781 -10.6781 -10.6781 -10.6781 -7.1425 -7.1425 -7.1423 -7.1423 -3.0487 -3.0487 -3.0467 -3.0467 -2.0428 -2.0428 -2.0401 -2.0401 -0.9370 -0.9370 -0.9311 -0.9311 -0.6573 -0.6573 -0.6543 -0.6543 0.2745 0.2745 0.2799 0.2799 2.4891 2.4891 2.4913 2.4913 2.7771 2.7771 2.7874 2.7874 k =-0.4500 0.3929 0.2367 ( 4794 PWs) bands (ev): -11.6536 -11.6536 -11.6535 -11.6535 -10.6784 -10.6784 -10.6784 -10.6784 -7.1462 -7.1462 -7.1460 -7.1460 -3.0487 -3.0487 -3.0470 -3.0470 -2.0600 -2.0600 -2.0576 -2.0576 -0.9270 -0.9270 -0.9219 -0.9219 -0.6648 -0.6648 -0.6622 -0.6622 0.2606 0.2606 0.2652 0.2652 2.4918 2.4918 2.4936 2.4936 2.7838 2.7838 2.7926 2.7926 k =-0.4600 0.4016 0.2367 ( 4788 PWs) bands (ev): -11.6494 -11.6494 -11.6494 -11.6494 -10.6787 -10.6787 -10.6787 -10.6787 -7.1492 -7.1492 -7.1491 -7.1491 -3.0486 -3.0486 -3.0472 -3.0472 -2.0741 -2.0741 -2.0722 -2.0722 -0.9183 -0.9183 -0.9141 -0.9141 -0.6709 -0.6709 -0.6688 -0.6688 0.2487 0.2487 0.2525 0.2525 2.4939 2.4939 2.4954 2.4954 2.7897 2.7897 2.7969 2.7969 k =-0.4700 0.4104 0.2367 ( 4788 PWs) bands (ev): -11.6462 -11.6462 -11.6462 -11.6462 -10.6789 -10.6789 -10.6789 -10.6789 -7.1515 -7.1515 -7.1514 -7.1514 -3.0485 -3.0485 -3.0475 -3.0475 -2.0851 -2.0851 -2.0836 -2.0836 -0.9111 -0.9111 -0.9079 -0.9079 -0.6756 -0.6756 -0.6740 -0.6740 0.2392 0.2392 0.2421 0.2421 2.4955 2.4955 2.4966 2.4966 2.7946 2.7946 2.8001 2.8001 k =-0.4800 0.4191 0.2367 ( 4784 PWs) bands (ev): -11.6439 -11.6439 -11.6439 -11.6439 -10.6791 -10.6791 -10.6790 -10.6790 -7.1532 -7.1532 -7.1531 -7.1531 -3.0484 -3.0484 -3.0476 -3.0476 -2.0929 -2.0929 -2.0919 -2.0919 -0.9056 -0.9056 -0.9034 -0.9034 -0.6789 -0.6789 -0.6778 -0.6778 0.2324 0.2324 0.2344 0.2344 2.4967 2.4967 2.4975 2.4975 2.7984 2.7984 2.8022 2.8022 k =-0.4900 0.4278 0.2367 ( 4780 PWs) bands (ev): -11.6425 -11.6425 -11.6425 -11.6425 -10.6791 -10.6791 -10.6791 -10.6791 -7.1542 -7.1542 -7.1542 -7.1542 -3.0482 -3.0482 -3.0478 -3.0478 -2.0975 -2.0975 -2.0970 -2.0970 -0.9020 -0.9020 -0.9009 -0.9009 -0.6807 -0.6807 -0.6802 -0.6802 0.2284 0.2284 0.2294 0.2294 2.4975 2.4975 2.4979 2.4979 2.8011 2.8011 2.8030 2.8030 k =-0.5000 0.4366 0.2367 ( 4780 PWs) bands (ev): -11.6420 -11.6420 -11.6420 -11.6420 -10.6792 -10.6792 -10.6792 -10.6792 -7.1545 -7.1545 -7.1545 -7.1545 -3.0480 -3.0480 -3.0480 -3.0480 -2.0989 -2.0989 -2.0989 -2.0989 -0.9004 -0.9004 -0.9004 -0.9004 -0.6812 -0.6812 -0.6812 -0.6812 0.2274 0.2274 0.2274 0.2274 2.4979 2.4979 2.4979 2.4979 2.8027 2.8027 2.8027 2.8027 Writing output data file CS2.save init_run : 0.25s CPU 0.37s WALL ( 1 calls) electrons : 124.64s CPU 127.18s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.03s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 124.63s CPU 127.17s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.07s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.07s WALL ( 364 calls) cegterg : 113.53s CPU 115.16s WALL ( 444 calls) Called by sum_band: Called by *egterg: h_psi : 62.89s CPU 64.32s WALL ( 7628 calls) s_psi : 5.32s CPU 5.40s WALL ( 7628 calls) g_psi : 0.24s CPU 0.26s WALL ( 6820 calls) cdiaghg : 37.70s CPU 38.20s WALL ( 7184 calls) cegterg:over : 4.96s CPU 5.04s WALL ( 6820 calls) cegterg:upda : 4.96s CPU 4.87s WALL ( 6820 calls) cegterg:last : 2.48s CPU 2.52s WALL ( 1385 calls) cdiaghg:chol : 2.28s CPU 2.22s WALL ( 7184 calls) cdiaghg:inve : 1.19s CPU 1.22s WALL ( 7184 calls) cdiaghg:para : 2.28s CPU 2.22s WALL ( 14368 calls) Called by h_psi: h_psi:vloc : 50.52s CPU 51.80s WALL ( 7628 calls) h_psi:vnl : 12.12s CPU 12.29s WALL ( 7628 calls) add_vuspsi : 6.25s CPU 6.31s WALL ( 7628 calls) General routines calbec : 5.86s CPU 5.97s WALL ( 7628 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 46.63s CPU 47.67s WALL ( 694380 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.18s CPU 0.21s WALL ( 728 calls) Parallel routines fft_scatter : 18.72s CPU 19.40s WALL ( 694403 calls) PWSCF : 2m19.50s CPU 2m35.11s WALL This run was terminated on: 17:41:13 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=