Program PWSCF v.5.1.1 starts on 23Jul2015 at 20:28:26 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./LaS.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 19 19 5 2479 2479 379 Max 20 20 6 2502 2502 408 Sum 953 953 281 119597 119597 18935 bravais-lattice index = 14 lattice parameter (alat) = 7.7072 a.u. unit-cell volume = 2502.6238 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 200.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.707206 celldm(2)= 1.000000 celldm(3)= 5.467726 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.021671 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.021671 0.999765 0.000000 ) a(3) = ( 0.000000 0.000000 5.467726 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.021676 -0.000000 ) b(2) = ( 0.000000 1.000235 -0.000000 ) b(3) = ( 0.000000 0.000000 0.182891 ) PseudoPot. # 1 for S read from file: /home/autes/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 La read from file: /home/autes/Pseudo/La.rel-pbe-n-nc.UPF MD5 check sum: 6f08dcd1d72f485b2e849640f263b2b9 Pseudo is Norm-conserving + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1253 points, 6 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 l(5) = 3 l(6) = 3 atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) La 3.00 138.90550 La( 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 =( 0.5108353 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.4998826 ) ( 0.0000000 0.0000000 1.0000000 ) ( -2.7338631 ) 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 =( 0.5108353 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.4998826 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 2.7338631 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 s_h -s_h i -i G_3+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_4+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_3- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 imaginary part E -E C2 -C2 s_h -s_h i -i G_3+ 0.00 0.00 1.00 -1.00 1.00 -1.00 0.00 0.00 G_4+ 0.00 0.00 -1.00 1.00 -1.00 1.00 0.00 0.00 G_3- 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 the symmetry operations in each class: E 1 C2 2 i 3 s_h 4 -E -1 -C2 -2 -i -3 -s_h -4 Cartesian axes number of k points= 340 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 2) = ( 0.0090629 0.0092614 -0.0000000), wk = 0.0029412 k( 3) = ( 0.0181257 0.0185229 -0.0000000), wk = 0.0029412 k( 4) = ( 0.0271886 0.0277843 -0.0000000), wk = 0.0029412 k( 5) = ( 0.0362514 0.0370457 -0.0000000), wk = 0.0029412 k( 6) = ( 0.0453143 0.0463072 -0.0000000), wk = 0.0029412 k( 7) = ( 0.0543772 0.0555686 -0.0000000), wk = 0.0029412 k( 8) = ( 0.0634400 0.0648300 -0.0000000), wk = 0.0029412 k( 9) = ( 0.0725029 0.0740915 -0.0000000), wk = 0.0029412 k( 10) = ( 0.0815658 0.0833529 -0.0000000), wk = 0.0029412 k( 11) = ( 0.0906286 0.0926143 -0.0000000), wk = 0.0029412 k( 12) = ( 0.0996915 0.1018758 -0.0000000), wk = 0.0029412 k( 13) = ( 0.1087543 0.1111372 -0.0000000), wk = 0.0029412 k( 14) = ( 0.1178172 0.1203986 -0.0000000), wk = 0.0029412 k( 15) = ( 0.1268801 0.1296601 -0.0000000), wk = 0.0029412 k( 16) = ( 0.1359429 0.1389215 -0.0000000), wk = 0.0029412 k( 17) = ( 0.1450058 0.1481829 -0.0000000), wk = 0.0029412 k( 18) = ( 0.1540686 0.1574444 -0.0000000), wk = 0.0029412 k( 19) = ( 0.1631315 0.1667058 -0.0000000), wk = 0.0029412 k( 20) = ( 0.1721944 0.1759673 -0.0000000), wk = 0.0029412 k( 21) = ( 0.1812572 0.1852287 -0.0000000), wk = 0.0029412 k( 22) = ( 0.1903201 0.1944901 -0.0000000), wk = 0.0029412 k( 23) = ( 0.1993830 0.2037516 -0.0000000), wk = 0.0029412 k( 24) = ( 0.2084458 0.2130130 -0.0000000), wk = 0.0029412 k( 25) = ( 0.2175087 0.2222744 -0.0000000), wk = 0.0029412 k( 26) = ( 0.2265715 0.2315358 -0.0000000), wk = 0.0029412 k( 27) = ( 0.2356344 0.2407973 -0.0000000), wk = 0.0029412 k( 28) = ( 0.2446973 0.2500587 -0.0000000), wk = 0.0029412 k( 29) = ( 0.2537601 0.2593202 -0.0000000), wk = 0.0029412 k( 30) = ( 0.2628230 0.2685816 -0.0000000), wk = 0.0029412 k( 31) = ( 0.2718858 0.2778430 -0.0000000), wk = 0.0029412 k( 32) = ( 0.2809487 0.2871045 -0.0000000), wk = 0.0029412 k( 33) = ( 0.2900116 0.2963659 -0.0000000), wk = 0.0029412 k( 34) = ( 0.2990744 0.3056273 -0.0000000), wk = 0.0029412 k( 35) = ( 0.3081373 0.3148888 -0.0000000), wk = 0.0029412 k( 36) = ( 0.3172002 0.3241502 -0.0000000), wk = 0.0029412 k( 37) = ( 0.3262630 0.3334116 -0.0000000), wk = 0.0029412 k( 38) = ( 0.3353259 0.3426731 -0.0000000), wk = 0.0029412 k( 39) = ( 0.3443887 0.3519345 -0.0000000), wk = 0.0029412 k( 40) = ( 0.3534516 0.3611959 -0.0000000), wk = 0.0029412 k( 41) = ( 0.3625145 0.3704574 -0.0000000), wk = 0.0029412 k( 42) = ( 0.3715773 0.3797188 -0.0000000), wk = 0.0029412 k( 43) = ( 0.3806402 0.3889802 -0.0000000), wk = 0.0029412 k( 44) = ( 0.3897030 0.3982417 -0.0000000), wk = 0.0029412 k( 45) = ( 0.3987659 0.4075031 -0.0000000), wk = 0.0029412 k( 46) = ( 0.4078288 0.4167645 -0.0000000), wk = 0.0029412 k( 47) = ( 0.4168916 0.4260260 -0.0000000), wk = 0.0029412 k( 48) = ( 0.4259545 0.4352874 -0.0000000), wk = 0.0029412 k( 49) = ( 0.4350174 0.4445488 -0.0000000), wk = 0.0029412 k( 50) = ( 0.4440802 0.4538103 -0.0000000), wk = 0.0029412 k( 51) = ( 0.4531431 0.4630717 -0.0000000), wk = 0.0029412 k( 52) = ( 0.4622059 0.4723331 -0.0000000), wk = 0.0029412 k( 53) = ( 0.4712688 0.4815946 -0.0000000), wk = 0.0029412 k( 54) = ( 0.4803316 0.4908560 -0.0000000), wk = 0.0029412 k( 55) = ( 0.4893945 0.5001174 -0.0000000), wk = 0.0029412 k( 56) = ( 0.4893945 0.5001174 -0.0000000), wk = 0.0029412 k( 57) = ( 0.4765157 0.5001174 -0.0000000), wk = 0.0029412 k( 58) = ( 0.4636369 0.5001174 -0.0000000), wk = 0.0029412 k( 59) = ( 0.4507581 0.5001174 -0.0000000), wk = 0.0029412 k( 60) = ( 0.4378793 0.5001174 -0.0000000), wk = 0.0029412 k( 61) = ( 0.4250005 0.5001174 -0.0000000), wk = 0.0029412 k( 62) = ( 0.4121217 0.5001174 -0.0000000), wk = 0.0029412 k( 63) = ( 0.3992429 0.5001174 -0.0000000), wk = 0.0029412 k( 64) = ( 0.3863641 0.5001174 -0.0000000), wk = 0.0029412 k( 65) = ( 0.3734853 0.5001174 -0.0000000), wk = 0.0029412 k( 66) = ( 0.3606065 0.5001174 -0.0000000), wk = 0.0029412 k( 67) = ( 0.3477277 0.5001174 -0.0000000), wk = 0.0029412 k( 68) = ( 0.3348489 0.5001174 -0.0000000), wk = 0.0029412 k( 69) = ( 0.3219701 0.5001174 -0.0000000), wk = 0.0029412 k( 70) = ( 0.3090913 0.5001174 -0.0000000), wk = 0.0029412 k( 71) = ( 0.2962125 0.5001174 -0.0000000), wk = 0.0029412 k( 72) = ( 0.2833337 0.5001174 -0.0000000), wk = 0.0029412 k( 73) = ( 0.2704549 0.5001174 -0.0000000), wk = 0.0029412 k( 74) = ( 0.2575761 0.5001174 -0.0000000), wk = 0.0029412 k( 75) = ( 0.2446973 0.5001174 -0.0000000), wk = 0.0029412 k( 76) = ( 0.2318185 0.5001174 -0.0000000), wk = 0.0029412 k( 77) = ( 0.2189397 0.5001174 -0.0000000), wk = 0.0029412 k( 78) = ( 0.2060608 0.5001174 -0.0000000), wk = 0.0029412 k( 79) = ( 0.1931820 0.5001174 -0.0000000), wk = 0.0029412 k( 80) = ( 0.1803032 0.5001174 -0.0000000), wk = 0.0029412 k( 81) = ( 0.1674244 0.5001174 -0.0000000), wk = 0.0029412 k( 82) = ( 0.1545456 0.5001174 -0.0000000), wk = 0.0029412 k( 83) = ( 0.1416668 0.5001174 -0.0000000), wk = 0.0029412 k( 84) = ( 0.1287880 0.5001174 -0.0000000), wk = 0.0029412 k( 85) = ( 0.1159092 0.5001174 -0.0000000), wk = 0.0029412 k( 86) = ( 0.1030304 0.5001174 -0.0000000), wk = 0.0029412 k( 87) = ( 0.0901516 0.5001174 -0.0000000), wk = 0.0029412 k( 88) = ( 0.0772728 0.5001174 -0.0000000), wk = 0.0029412 k( 89) = ( 0.0643940 0.5001174 -0.0000000), wk = 0.0029412 k( 90) = ( 0.0515152 0.5001174 -0.0000000), wk = 0.0029412 k( 91) = ( 0.0386364 0.5001174 -0.0000000), wk = 0.0029412 k( 92) = ( 0.0257576 0.5001174 -0.0000000), wk = 0.0029412 k( 93) = ( 0.0128788 0.5001174 -0.0000000), wk = 0.0029412 k( 94) = ( 0.0000000 0.5001174 -0.0000000), wk = 0.0029412 k( 95) = ( 0.0000000 0.5001174 -0.0000000), wk = 0.0029412 k( 96) = ( 0.0000000 0.5001174 0.0114307), wk = 0.0029412 k( 97) = ( 0.0000000 0.5001174 0.0228614), wk = 0.0029412 k( 98) = ( 0.0000000 0.5001174 0.0342921), wk = 0.0029412 k( 99) = ( 0.0000000 0.5001174 0.0457228), wk = 0.0029412 k( 100) = ( 0.0000000 0.5001174 0.0571536), wk = 0.0029412 k( 101) = ( 0.0000000 0.5001174 0.0685843), wk = 0.0029412 k( 102) = ( 0.0000000 0.5001174 0.0800150), wk = 0.0029412 k( 103) = ( 0.0000000 0.5001174 0.0914457), wk = 0.0029412 k( 104) = ( 0.0000000 0.5001174 0.0914457), wk = 0.0029412 k( 105) = ( 0.0128788 0.5001174 0.0914457), wk = 0.0029412 k( 106) = ( 0.0257576 0.5001174 0.0914457), wk = 0.0029412 k( 107) = ( 0.0386364 0.5001174 0.0914457), wk = 0.0029412 k( 108) = ( 0.0515152 0.5001174 0.0914457), wk = 0.0029412 k( 109) = ( 0.0643940 0.5001174 0.0914457), wk = 0.0029412 k( 110) = ( 0.0772728 0.5001174 0.0914457), wk = 0.0029412 k( 111) = ( 0.0901516 0.5001174 0.0914457), wk = 0.0029412 k( 112) = ( 0.1030304 0.5001174 0.0914457), wk = 0.0029412 k( 113) = ( 0.1159092 0.5001174 0.0914457), wk = 0.0029412 k( 114) = ( 0.1287880 0.5001174 0.0914457), wk = 0.0029412 k( 115) = ( 0.1416668 0.5001174 0.0914457), wk = 0.0029412 k( 116) = ( 0.1545456 0.5001174 0.0914457), wk = 0.0029412 k( 117) = ( 0.1674244 0.5001174 0.0914457), wk = 0.0029412 k( 118) = ( 0.1803032 0.5001174 0.0914457), wk = 0.0029412 k( 119) = ( 0.1931820 0.5001174 0.0914457), wk = 0.0029412 k( 120) = ( 0.2060608 0.5001174 0.0914457), wk = 0.0029412 k( 121) = ( 0.2189397 0.5001174 0.0914457), wk = 0.0029412 k( 122) = ( 0.2318185 0.5001174 0.0914457), wk = 0.0029412 k( 123) = ( 0.2446973 0.5001174 0.0914457), wk = 0.0029412 k( 124) = ( 0.2575761 0.5001174 0.0914457), wk = 0.0029412 k( 125) = ( 0.2704549 0.5001174 0.0914457), wk = 0.0029412 k( 126) = ( 0.2833337 0.5001174 0.0914457), wk = 0.0029412 k( 127) = ( 0.2962125 0.5001174 0.0914457), wk = 0.0029412 k( 128) = ( 0.3090913 0.5001174 0.0914457), wk = 0.0029412 k( 129) = ( 0.3219701 0.5001174 0.0914457), wk = 0.0029412 k( 130) = ( 0.3348489 0.5001174 0.0914457), wk = 0.0029412 k( 131) = ( 0.3477277 0.5001174 0.0914457), wk = 0.0029412 k( 132) = ( 0.3606065 0.5001174 0.0914457), wk = 0.0029412 k( 133) = ( 0.3734853 0.5001174 0.0914457), wk = 0.0029412 k( 134) = ( 0.3863641 0.5001174 0.0914457), wk = 0.0029412 k( 135) = ( 0.3992429 0.5001174 0.0914457), wk = 0.0029412 k( 136) = ( 0.4121217 0.5001174 0.0914457), wk = 0.0029412 k( 137) = ( 0.4250005 0.5001174 0.0914457), wk = 0.0029412 k( 138) = ( 0.4378793 0.5001174 0.0914457), wk = 0.0029412 k( 139) = ( 0.4507581 0.5001174 0.0914457), wk = 0.0029412 k( 140) = ( 0.4636369 0.5001174 0.0914457), wk = 0.0029412 k( 141) = ( 0.4765157 0.5001174 0.0914457), wk = 0.0029412 k( 142) = ( 0.4893945 0.5001174 0.0914457), wk = 0.0029412 k( 143) = ( 0.4893945 0.5001174 0.0914457), wk = 0.0029412 k( 144) = ( 0.4803316 0.4908560 0.0914457), wk = 0.0029412 k( 145) = ( 0.4712688 0.4815946 0.0914457), wk = 0.0029412 k( 146) = ( 0.4622059 0.4723331 0.0914457), wk = 0.0029412 k( 147) = ( 0.4531431 0.4630717 0.0914457), wk = 0.0029412 k( 148) = ( 0.4440802 0.4538103 0.0914457), wk = 0.0029412 k( 149) = ( 0.4350174 0.4445488 0.0914457), wk = 0.0029412 k( 150) = ( 0.4259545 0.4352874 0.0914457), wk = 0.0029412 k( 151) = ( 0.4168916 0.4260260 0.0914457), wk = 0.0029412 k( 152) = ( 0.4078288 0.4167645 0.0914457), wk = 0.0029412 k( 153) = ( 0.3987659 0.4075031 0.0914457), wk = 0.0029412 k( 154) = ( 0.3897030 0.3982417 0.0914457), wk = 0.0029412 k( 155) = ( 0.3806402 0.3889802 0.0914457), wk = 0.0029412 k( 156) = ( 0.3715773 0.3797188 0.0914457), wk = 0.0029412 k( 157) = ( 0.3625145 0.3704574 0.0914457), wk = 0.0029412 k( 158) = ( 0.3534516 0.3611959 0.0914457), wk = 0.0029412 k( 159) = ( 0.3443887 0.3519345 0.0914457), wk = 0.0029412 k( 160) = ( 0.3353259 0.3426731 0.0914457), wk = 0.0029412 k( 161) = ( 0.3262630 0.3334116 0.0914457), wk = 0.0029412 k( 162) = ( 0.3172002 0.3241502 0.0914457), wk = 0.0029412 k( 163) = ( 0.3081373 0.3148888 0.0914457), wk = 0.0029412 k( 164) = ( 0.2990744 0.3056273 0.0914457), wk = 0.0029412 k( 165) = ( 0.2900116 0.2963659 0.0914457), wk = 0.0029412 k( 166) = ( 0.2809487 0.2871045 0.0914457), wk = 0.0029412 k( 167) = ( 0.2718858 0.2778430 0.0914457), wk = 0.0029412 k( 168) = ( 0.2628230 0.2685816 0.0914457), wk = 0.0029412 k( 169) = ( 0.2537601 0.2593202 0.0914457), wk = 0.0029412 k( 170) = ( 0.2446973 0.2500587 0.0914457), wk = 0.0029412 k( 171) = ( 0.2356344 0.2407973 0.0914457), wk = 0.0029412 k( 172) = ( 0.2265715 0.2315358 0.0914457), wk = 0.0029412 k( 173) = ( 0.2175087 0.2222744 0.0914457), wk = 0.0029412 k( 174) = ( 0.2084458 0.2130130 0.0914457), wk = 0.0029412 k( 175) = ( 0.1993830 0.2037516 0.0914457), wk = 0.0029412 k( 176) = ( 0.1903201 0.1944901 0.0914457), wk = 0.0029412 k( 177) = ( 0.1812572 0.1852287 0.0914457), wk = 0.0029412 k( 178) = ( 0.1721944 0.1759673 0.0914457), wk = 0.0029412 k( 179) = ( 0.1631315 0.1667058 0.0914457), wk = 0.0029412 k( 180) = ( 0.1540686 0.1574444 0.0914457), wk = 0.0029412 k( 181) = ( 0.1450058 0.1481829 0.0914457), wk = 0.0029412 k( 182) = ( 0.1359429 0.1389215 0.0914457), wk = 0.0029412 k( 183) = ( 0.1268801 0.1296601 0.0914457), wk = 0.0029412 k( 184) = ( 0.1178172 0.1203986 0.0914457), wk = 0.0029412 k( 185) = ( 0.1087543 0.1111372 0.0914457), wk = 0.0029412 k( 186) = ( 0.0996915 0.1018758 0.0914457), wk = 0.0029412 k( 187) = ( 0.0906286 0.0926143 0.0914457), wk = 0.0029412 k( 188) = ( 0.0815658 0.0833529 0.0914457), wk = 0.0029412 k( 189) = ( 0.0725029 0.0740915 0.0914457), wk = 0.0029412 k( 190) = ( 0.0634400 0.0648300 0.0914457), wk = 0.0029412 k( 191) = ( 0.0543772 0.0555686 0.0914457), wk = 0.0029412 k( 192) = ( 0.0453143 0.0463072 0.0914457), wk = 0.0029412 k( 193) = ( 0.0362514 0.0370457 0.0914457), wk = 0.0029412 k( 194) = ( 0.0271886 0.0277843 0.0914457), wk = 0.0029412 k( 195) = ( 0.0181257 0.0185229 0.0914457), wk = 0.0029412 k( 196) = ( 0.0090629 0.0092614 0.0914457), wk = 0.0029412 k( 197) = ( 0.0000000 0.0000000 0.0914457), wk = 0.0029412 k( 198) = ( 0.0000000 0.0000000 0.0914457), wk = 0.0029412 k( 199) = ( 0.0000000 0.0000000 0.0800150), wk = 0.0029412 k( 200) = ( 0.0000000 0.0000000 0.0685843), wk = 0.0029412 k( 201) = ( 0.0000000 0.0000000 0.0571536), wk = 0.0029412 k( 202) = ( 0.0000000 0.0000000 0.0457228), wk = 0.0029412 k( 203) = ( 0.0000000 0.0000000 0.0342921), wk = 0.0029412 k( 204) = ( 0.0000000 0.0000000 0.0228614), wk = 0.0029412 k( 205) = ( 0.0000000 0.0000000 0.0114307), wk = 0.0029412 k( 206) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 207) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 208) = ( -0.0092593 0.0090607 0.0000000), wk = 0.0029412 k( 209) = ( -0.0185185 0.0181215 0.0000000), wk = 0.0029412 k( 210) = ( -0.0277778 0.0271822 0.0000000), wk = 0.0029412 k( 211) = ( -0.0370370 0.0362429 0.0000000), wk = 0.0029412 k( 212) = ( -0.0462963 0.0453037 0.0000000), wk = 0.0029412 k( 213) = ( -0.0555556 0.0543644 0.0000000), wk = 0.0029412 k( 214) = ( -0.0648148 0.0634251 0.0000000), wk = 0.0029412 k( 215) = ( -0.0740741 0.0724859 0.0000000), wk = 0.0029412 k( 216) = ( -0.0833333 0.0815466 0.0000000), wk = 0.0029412 k( 217) = ( -0.0925926 0.0906073 0.0000000), wk = 0.0029412 k( 218) = ( -0.1018518 0.0996681 0.0000000), wk = 0.0029412 k( 219) = ( -0.1111111 0.1087288 0.0000000), wk = 0.0029412 k( 220) = ( -0.1203704 0.1177895 0.0000000), wk = 0.0029412 k( 221) = ( -0.1296296 0.1268503 0.0000000), wk = 0.0029412 k( 222) = ( -0.1388889 0.1359110 0.0000000), wk = 0.0029412 k( 223) = ( -0.1481482 0.1449717 0.0000000), wk = 0.0029412 k( 224) = ( -0.1574074 0.1540325 0.0000000), wk = 0.0029412 k( 225) = ( -0.1666667 0.1630932 0.0000000), wk = 0.0029412 k( 226) = ( -0.1759259 0.1721539 0.0000000), wk = 0.0029412 k( 227) = ( -0.1851852 0.1812147 0.0000000), wk = 0.0029412 k( 228) = ( -0.1944444 0.1902754 0.0000000), wk = 0.0029412 k( 229) = ( -0.2037037 0.1993361 0.0000000), wk = 0.0029412 k( 230) = ( -0.2129630 0.2083969 0.0000000), wk = 0.0029412 k( 231) = ( -0.2222222 0.2174576 0.0000000), wk = 0.0029412 k( 232) = ( -0.2314815 0.2265183 0.0000000), wk = 0.0029412 k( 233) = ( -0.2407407 0.2355791 0.0000000), wk = 0.0029412 k( 234) = ( -0.2500000 0.2446398 0.0000000), wk = 0.0029412 k( 235) = ( -0.2592593 0.2537005 0.0000000), wk = 0.0029412 k( 236) = ( -0.2685185 0.2627613 0.0000000), wk = 0.0029412 k( 237) = ( -0.2777778 0.2718220 0.0000000), wk = 0.0029412 k( 238) = ( -0.2870370 0.2808827 0.0000000), wk = 0.0029412 k( 239) = ( -0.2962963 0.2899435 0.0000000), wk = 0.0029412 k( 240) = ( -0.3055556 0.2990042 0.0000000), wk = 0.0029412 k( 241) = ( -0.3148148 0.3080649 0.0000000), wk = 0.0029412 k( 242) = ( -0.3240741 0.3171257 0.0000000), wk = 0.0029412 k( 243) = ( -0.3333333 0.3261864 0.0000000), wk = 0.0029412 k( 244) = ( -0.3425926 0.3352471 0.0000000), wk = 0.0029412 k( 245) = ( -0.3518519 0.3443079 0.0000000), wk = 0.0029412 k( 246) = ( -0.3611111 0.3533686 0.0000000), wk = 0.0029412 k( 247) = ( -0.3703704 0.3624293 0.0000000), wk = 0.0029412 k( 248) = ( -0.3796296 0.3714901 0.0000000), wk = 0.0029412 k( 249) = ( -0.3888889 0.3805508 0.0000000), wk = 0.0029412 k( 250) = ( -0.3981481 0.3896115 0.0000000), wk = 0.0029412 k( 251) = ( -0.4074074 0.3986723 0.0000000), wk = 0.0029412 k( 252) = ( -0.4166667 0.4077330 0.0000000), wk = 0.0029412 k( 253) = ( -0.4259259 0.4167937 0.0000000), wk = 0.0029412 k( 254) = ( -0.4351852 0.4258545 0.0000000), wk = 0.0029412 k( 255) = ( -0.4444444 0.4349152 0.0000000), wk = 0.0029412 k( 256) = ( -0.4537037 0.4439759 0.0000000), wk = 0.0029412 k( 257) = ( -0.4629630 0.4530367 0.0000000), wk = 0.0029412 k( 258) = ( -0.4722222 0.4620974 0.0000000), wk = 0.0029412 k( 259) = ( -0.4814815 0.4711581 0.0000000), wk = 0.0029412 k( 260) = ( -0.4907407 0.4802189 0.0000000), wk = 0.0029412 k( 261) = ( -0.5000000 0.4892796 0.0000000), wk = 0.0029412 k( 262) = ( -0.5000000 0.4892796 0.0000000), wk = 0.0029412 k( 263) = ( -0.4946973 0.4946985 -0.0000000), wk = 0.0029412 k( 264) = ( -0.4893945 0.5001174 -0.0000000), wk = 0.0029412 k( 265) = ( -0.4893945 0.5001174 -0.0000000), wk = 0.0029412 k( 266) = ( -0.4893945 0.5001174 0.0114307), wk = 0.0029412 k( 267) = ( -0.4893945 0.5001174 0.0228614), wk = 0.0029412 k( 268) = ( -0.4893945 0.5001174 0.0342921), wk = 0.0029412 k( 269) = ( -0.4893945 0.5001174 0.0457228), wk = 0.0029412 k( 270) = ( -0.4893945 0.5001174 0.0571536), wk = 0.0029412 k( 271) = ( -0.4893945 0.5001174 0.0685843), wk = 0.0029412 k( 272) = ( -0.4893945 0.5001174 0.0800150), wk = 0.0029412 k( 273) = ( -0.4893945 0.5001174 0.0914457), wk = 0.0029412 k( 274) = ( -0.4893945 0.5001174 0.0914457), wk = 0.0029412 k( 275) = ( -0.4946973 0.4946985 0.0914457), wk = 0.0029412 k( 276) = ( -0.5000000 0.4892796 0.0914457), wk = 0.0029412 k( 277) = ( -0.5000000 0.4892796 0.0914457), wk = 0.0029412 k( 278) = ( -0.5000000 0.4892796 0.0800150), wk = 0.0029412 k( 279) = ( -0.5000000 0.4892796 0.0685843), wk = 0.0029412 k( 280) = ( -0.5000000 0.4892796 0.0571536), wk = 0.0029412 k( 281) = ( -0.5000000 0.4892796 0.0457228), wk = 0.0029412 k( 282) = ( -0.5000000 0.4892796 0.0342921), wk = 0.0029412 k( 283) = ( -0.5000000 0.4892796 0.0228614), wk = 0.0029412 k( 284) = ( -0.5000000 0.4892796 0.0114307), wk = 0.0029412 k( 285) = ( -0.5000000 0.4892796 0.0000000), wk = 0.0029412 k( 286) = ( 0.0000000 0.0000000 0.0914457), wk = 0.0029412 k( 287) = ( -0.0092593 0.0090607 0.0914457), wk = 0.0029412 k( 288) = ( -0.0185185 0.0181215 0.0914457), wk = 0.0029412 k( 289) = ( -0.0277778 0.0271822 0.0914457), wk = 0.0029412 k( 290) = ( -0.0370370 0.0362429 0.0914457), wk = 0.0029412 k( 291) = ( -0.0462963 0.0453037 0.0914457), wk = 0.0029412 k( 292) = ( -0.0555556 0.0543644 0.0914457), wk = 0.0029412 k( 293) = ( -0.0648148 0.0634251 0.0914457), wk = 0.0029412 k( 294) = ( -0.0740741 0.0724859 0.0914457), wk = 0.0029412 k( 295) = ( -0.0833333 0.0815466 0.0914457), wk = 0.0029412 k( 296) = ( -0.0925926 0.0906073 0.0914457), wk = 0.0029412 k( 297) = ( -0.1018518 0.0996681 0.0914457), wk = 0.0029412 k( 298) = ( -0.1111111 0.1087288 0.0914457), wk = 0.0029412 k( 299) = ( -0.1203704 0.1177895 0.0914457), wk = 0.0029412 k( 300) = ( -0.1296296 0.1268503 0.0914457), wk = 0.0029412 k( 301) = ( -0.1388889 0.1359110 0.0914457), wk = 0.0029412 k( 302) = ( -0.1481482 0.1449717 0.0914457), wk = 0.0029412 k( 303) = ( -0.1574074 0.1540325 0.0914457), wk = 0.0029412 k( 304) = ( -0.1666667 0.1630932 0.0914457), wk = 0.0029412 k( 305) = ( -0.1759259 0.1721539 0.0914457), wk = 0.0029412 k( 306) = ( -0.1851852 0.1812147 0.0914457), wk = 0.0029412 k( 307) = ( -0.1944444 0.1902754 0.0914457), wk = 0.0029412 k( 308) = ( -0.2037037 0.1993361 0.0914457), wk = 0.0029412 k( 309) = ( -0.2129630 0.2083969 0.0914457), wk = 0.0029412 k( 310) = ( -0.2222222 0.2174576 0.0914457), wk = 0.0029412 k( 311) = ( -0.2314815 0.2265183 0.0914457), wk = 0.0029412 k( 312) = ( -0.2407407 0.2355791 0.0914457), wk = 0.0029412 k( 313) = ( -0.2500000 0.2446398 0.0914457), wk = 0.0029412 k( 314) = ( -0.2592593 0.2537005 0.0914457), wk = 0.0029412 k( 315) = ( -0.2685185 0.2627613 0.0914457), wk = 0.0029412 k( 316) = ( -0.2777778 0.2718220 0.0914457), wk = 0.0029412 k( 317) = ( -0.2870370 0.2808827 0.0914457), wk = 0.0029412 k( 318) = ( -0.2962963 0.2899435 0.0914457), wk = 0.0029412 k( 319) = ( -0.3055556 0.2990042 0.0914457), wk = 0.0029412 k( 320) = ( -0.3148148 0.3080649 0.0914457), wk = 0.0029412 k( 321) = ( -0.3240741 0.3171257 0.0914457), wk = 0.0029412 k( 322) = ( -0.3333333 0.3261864 0.0914457), wk = 0.0029412 k( 323) = ( -0.3425926 0.3352471 0.0914457), wk = 0.0029412 k( 324) = ( -0.3518519 0.3443079 0.0914457), wk = 0.0029412 k( 325) = ( -0.3611111 0.3533686 0.0914457), wk = 0.0029412 k( 326) = ( -0.3703704 0.3624293 0.0914457), wk = 0.0029412 k( 327) = ( -0.3796296 0.3714901 0.0914457), wk = 0.0029412 k( 328) = ( -0.3888889 0.3805508 0.0914457), wk = 0.0029412 k( 329) = ( -0.3981481 0.3896115 0.0914457), wk = 0.0029412 k( 330) = ( -0.4074074 0.3986723 0.0914457), wk = 0.0029412 k( 331) = ( -0.4166667 0.4077330 0.0914457), wk = 0.0029412 k( 332) = ( -0.4259259 0.4167937 0.0914457), wk = 0.0029412 k( 333) = ( -0.4351852 0.4258545 0.0914457), wk = 0.0029412 k( 334) = ( -0.4444444 0.4349152 0.0914457), wk = 0.0029412 k( 335) = ( -0.4537037 0.4439759 0.0914457), wk = 0.0029412 k( 336) = ( -0.4629630 0.4530367 0.0914457), wk = 0.0029412 k( 337) = ( -0.4722222 0.4620974 0.0914457), wk = 0.0029412 k( 338) = ( -0.4814815 0.4711581 0.0914457), wk = 0.0029412 k( 339) = ( -0.4907407 0.4802189 0.0914457), wk = 0.0029412 k( 340) = ( -0.5000000 0.4892796 0.0914457), wk = 0.0029412 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 2) = ( 0.0090629 0.0090629 0.0000000), wk = 0.0029412 k( 3) = ( 0.0181257 0.0181257 0.0000000), wk = 0.0029412 k( 4) = ( 0.0271886 0.0271886 0.0000000), wk = 0.0029412 k( 5) = ( 0.0362514 0.0362514 0.0000000), wk = 0.0029412 k( 6) = ( 0.0453143 0.0453143 -0.0000000), wk = 0.0029412 k( 7) = ( 0.0543772 0.0543772 0.0000000), wk = 0.0029412 k( 8) = ( 0.0634400 0.0634400 0.0000000), wk = 0.0029412 k( 9) = ( 0.0725029 0.0725029 -0.0000000), wk = 0.0029412 k( 10) = ( 0.0815658 0.0815657 -0.0000000), wk = 0.0029412 k( 11) = ( 0.0906286 0.0906286 -0.0000000), wk = 0.0029412 k( 12) = ( 0.0996915 0.0996915 0.0000000), wk = 0.0029412 k( 13) = ( 0.1087543 0.1087543 0.0000000), wk = 0.0029412 k( 14) = ( 0.1178172 0.1178172 0.0000000), wk = 0.0029412 k( 15) = ( 0.1268801 0.1268801 0.0000000), wk = 0.0029412 k( 16) = ( 0.1359429 0.1359429 -0.0000000), wk = 0.0029412 k( 17) = ( 0.1450058 0.1450058 -0.0000000), wk = 0.0029412 k( 18) = ( 0.1540686 0.1540686 -0.0000000), wk = 0.0029412 k( 19) = ( 0.1631315 0.1631315 0.0000000), wk = 0.0029412 k( 20) = ( 0.1721944 0.1721944 0.0000000), wk = 0.0029412 k( 21) = ( 0.1812572 0.1812572 -0.0000000), wk = 0.0029412 k( 22) = ( 0.1903201 0.1903201 -0.0000000), wk = 0.0029412 k( 23) = ( 0.1993830 0.1993829 -0.0000000), wk = 0.0029412 k( 24) = ( 0.2084458 0.2084458 0.0000000), wk = 0.0029412 k( 25) = ( 0.2175087 0.2175087 0.0000000), wk = 0.0029412 k( 26) = ( 0.2265715 0.2265715 -0.0000000), wk = 0.0029412 k( 27) = ( 0.2356344 0.2356344 0.0000000), wk = 0.0029412 k( 28) = ( 0.2446973 0.2446973 0.0000000), wk = 0.0029412 k( 29) = ( 0.2537601 0.2537601 0.0000000), wk = 0.0029412 k( 30) = ( 0.2628230 0.2628230 -0.0000000), wk = 0.0029412 k( 31) = ( 0.2718858 0.2718858 -0.0000000), wk = 0.0029412 k( 32) = ( 0.2809487 0.2809487 0.0000000), wk = 0.0029412 k( 33) = ( 0.2900116 0.2900116 -0.0000000), wk = 0.0029412 k( 34) = ( 0.2990744 0.2990744 0.0000000), wk = 0.0029412 k( 35) = ( 0.3081373 0.3081373 0.0000000), wk = 0.0029412 k( 36) = ( 0.3172002 0.3172001 -0.0000000), wk = 0.0029412 k( 37) = ( 0.3262630 0.3262630 0.0000000), wk = 0.0029412 k( 38) = ( 0.3353259 0.3353259 0.0000000), wk = 0.0029412 k( 39) = ( 0.3443887 0.3443887 -0.0000000), wk = 0.0029412 k( 40) = ( 0.3534516 0.3534516 0.0000000), wk = 0.0029412 k( 41) = ( 0.3625145 0.3625145 -0.0000000), wk = 0.0029412 k( 42) = ( 0.3715773 0.3715773 0.0000000), wk = 0.0029412 k( 43) = ( 0.3806402 0.3806402 -0.0000000), wk = 0.0029412 k( 44) = ( 0.3897030 0.3897030 0.0000000), wk = 0.0029412 k( 45) = ( 0.3987659 0.3987659 -0.0000000), wk = 0.0029412 k( 46) = ( 0.4078288 0.4078288 0.0000000), wk = 0.0029412 k( 47) = ( 0.4168916 0.4168916 0.0000000), wk = 0.0029412 k( 48) = ( 0.4259545 0.4259545 0.0000000), wk = 0.0029412 k( 49) = ( 0.4350174 0.4350173 -0.0000000), wk = 0.0029412 k( 50) = ( 0.4440802 0.4440802 0.0000000), wk = 0.0029412 k( 51) = ( 0.4531431 0.4531431 0.0000000), wk = 0.0029412 k( 52) = ( 0.4622059 0.4622059 0.0000000), wk = 0.0029412 k( 53) = ( 0.4712688 0.4712688 0.0000000), wk = 0.0029412 k( 54) = ( 0.4803316 0.4803316 0.0000000), wk = 0.0029412 k( 55) = ( 0.4893945 0.4893945 0.0000000), wk = 0.0029412 k( 56) = ( 0.4893945 0.4893945 0.0000000), wk = 0.0029412 k( 57) = ( 0.4765157 0.4896736 -0.0000000), wk = 0.0029412 k( 58) = ( 0.4636369 0.4899527 0.0000000), wk = 0.0029412 k( 59) = ( 0.4507581 0.4902318 0.0000000), wk = 0.0029412 k( 60) = ( 0.4378793 0.4905109 -0.0000000), wk = 0.0029412 k( 61) = ( 0.4250005 0.4907900 0.0000000), wk = 0.0029412 k( 62) = ( 0.4121217 0.4910691 0.0000000), wk = 0.0029412 k( 63) = ( 0.3992429 0.4913482 -0.0000000), wk = 0.0029412 k( 64) = ( 0.3863641 0.4916272 -0.0000000), wk = 0.0029412 k( 65) = ( 0.3734853 0.4919063 0.0000000), wk = 0.0029412 k( 66) = ( 0.3606065 0.4921854 0.0000000), wk = 0.0029412 k( 67) = ( 0.3477277 0.4924645 -0.0000000), wk = 0.0029412 k( 68) = ( 0.3348489 0.4927436 -0.0000000), wk = 0.0029412 k( 69) = ( 0.3219701 0.4930227 0.0000000), wk = 0.0029412 k( 70) = ( 0.3090913 0.4933018 -0.0000000), wk = 0.0029412 k( 71) = ( 0.2962125 0.4935809 0.0000000), wk = 0.0029412 k( 72) = ( 0.2833337 0.4938600 0.0000000), wk = 0.0029412 k( 73) = ( 0.2704549 0.4941391 0.0000000), wk = 0.0029412 k( 74) = ( 0.2575761 0.4944182 0.0000000), wk = 0.0029412 k( 75) = ( 0.2446973 0.4946973 -0.0000000), wk = 0.0029412 k( 76) = ( 0.2318185 0.4949763 -0.0000000), wk = 0.0029412 k( 77) = ( 0.2189397 0.4952554 0.0000000), wk = 0.0029412 k( 78) = ( 0.2060608 0.4955345 -0.0000000), wk = 0.0029412 k( 79) = ( 0.1931820 0.4958136 0.0000000), wk = 0.0029412 k( 80) = ( 0.1803032 0.4960927 -0.0000000), wk = 0.0029412 k( 81) = ( 0.1674244 0.4963718 -0.0000000), wk = 0.0029412 k( 82) = ( 0.1545456 0.4966509 0.0000000), wk = 0.0029412 k( 83) = ( 0.1416668 0.4969300 0.0000000), wk = 0.0029412 k( 84) = ( 0.1287880 0.4972091 -0.0000000), wk = 0.0029412 k( 85) = ( 0.1159092 0.4974882 0.0000000), wk = 0.0029412 k( 86) = ( 0.1030304 0.4977673 -0.0000000), wk = 0.0029412 k( 87) = ( 0.0901516 0.4980464 0.0000000), wk = 0.0029412 k( 88) = ( 0.0772728 0.4983254 -0.0000000), wk = 0.0029412 k( 89) = ( 0.0643940 0.4986045 -0.0000000), wk = 0.0029412 k( 90) = ( 0.0515152 0.4988836 -0.0000000), wk = 0.0029412 k( 91) = ( 0.0386364 0.4991627 0.0000000), wk = 0.0029412 k( 92) = ( 0.0257576 0.4994418 0.0000000), wk = 0.0029412 k( 93) = ( 0.0128788 0.4997209 0.0000000), wk = 0.0029412 k( 94) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029412 k( 95) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029412 k( 96) = ( 0.0000000 0.5000000 0.0625000), wk = 0.0029412 k( 97) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0029412 k( 98) = ( 0.0000000 0.5000000 0.1875000), wk = 0.0029412 k( 99) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0029412 k( 100) = ( 0.0000000 0.5000000 0.3125000), wk = 0.0029412 k( 101) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0029412 k( 102) = ( 0.0000000 0.5000000 0.4375000), wk = 0.0029412 k( 103) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0029412 k( 104) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0029412 k( 105) = ( 0.0128788 0.4997209 0.5000000), wk = 0.0029412 k( 106) = ( 0.0257576 0.4994418 0.5000000), wk = 0.0029412 k( 107) = ( 0.0386364 0.4991627 0.5000000), wk = 0.0029412 k( 108) = ( 0.0515152 0.4988836 0.5000000), wk = 0.0029412 k( 109) = ( 0.0643940 0.4986045 0.5000000), wk = 0.0029412 k( 110) = ( 0.0772728 0.4983254 0.5000000), wk = 0.0029412 k( 111) = ( 0.0901516 0.4980464 0.5000000), wk = 0.0029412 k( 112) = ( 0.1030304 0.4977673 0.5000000), wk = 0.0029412 k( 113) = ( 0.1159092 0.4974882 0.5000000), wk = 0.0029412 k( 114) = ( 0.1287880 0.4972091 0.5000000), wk = 0.0029412 k( 115) = ( 0.1416668 0.4969300 0.5000000), wk = 0.0029412 k( 116) = ( 0.1545456 0.4966509 0.5000000), wk = 0.0029412 k( 117) = ( 0.1674244 0.4963718 0.5000000), wk = 0.0029412 k( 118) = ( 0.1803032 0.4960927 0.5000000), wk = 0.0029412 k( 119) = ( 0.1931820 0.4958136 0.5000000), wk = 0.0029412 k( 120) = ( 0.2060608 0.4955345 0.5000000), wk = 0.0029412 k( 121) = ( 0.2189397 0.4952554 0.5000000), wk = 0.0029412 k( 122) = ( 0.2318185 0.4949763 0.5000000), wk = 0.0029412 k( 123) = ( 0.2446973 0.4946973 0.5000000), wk = 0.0029412 k( 124) = ( 0.2575761 0.4944182 0.5000000), wk = 0.0029412 k( 125) = ( 0.2704549 0.4941391 0.5000000), wk = 0.0029412 k( 126) = ( 0.2833337 0.4938600 0.5000000), wk = 0.0029412 k( 127) = ( 0.2962125 0.4935809 0.5000000), wk = 0.0029412 k( 128) = ( 0.3090913 0.4933018 0.5000000), wk = 0.0029412 k( 129) = ( 0.3219701 0.4930227 0.5000000), wk = 0.0029412 k( 130) = ( 0.3348489 0.4927436 0.5000000), wk = 0.0029412 k( 131) = ( 0.3477277 0.4924645 0.5000000), wk = 0.0029412 k( 132) = ( 0.3606065 0.4921854 0.5000000), wk = 0.0029412 k( 133) = ( 0.3734853 0.4919063 0.5000000), wk = 0.0029412 k( 134) = ( 0.3863641 0.4916272 0.5000000), wk = 0.0029412 k( 135) = ( 0.3992429 0.4913482 0.5000000), wk = 0.0029412 k( 136) = ( 0.4121217 0.4910691 0.5000000), wk = 0.0029412 k( 137) = ( 0.4250005 0.4907900 0.5000000), wk = 0.0029412 k( 138) = ( 0.4378793 0.4905109 0.5000000), wk = 0.0029412 k( 139) = ( 0.4507581 0.4902318 0.5000000), wk = 0.0029412 k( 140) = ( 0.4636369 0.4899527 0.5000000), wk = 0.0029412 k( 141) = ( 0.4765157 0.4896736 0.5000000), wk = 0.0029412 k( 142) = ( 0.4893945 0.4893945 0.5000000), wk = 0.0029412 k( 143) = ( 0.4893945 0.4893945 0.5000000), wk = 0.0029412 k( 144) = ( 0.4803316 0.4803316 0.5000000), wk = 0.0029412 k( 145) = ( 0.4712688 0.4712688 0.5000000), wk = 0.0029412 k( 146) = ( 0.4622059 0.4622059 0.5000000), wk = 0.0029412 k( 147) = ( 0.4531431 0.4531431 0.5000000), wk = 0.0029412 k( 148) = ( 0.4440802 0.4440802 0.5000000), wk = 0.0029412 k( 149) = ( 0.4350174 0.4350173 0.5000000), wk = 0.0029412 k( 150) = ( 0.4259545 0.4259545 0.5000000), wk = 0.0029412 k( 151) = ( 0.4168916 0.4168916 0.5000000), wk = 0.0029412 k( 152) = ( 0.4078288 0.4078288 0.5000000), wk = 0.0029412 k( 153) = ( 0.3987659 0.3987659 0.5000000), wk = 0.0029412 k( 154) = ( 0.3897030 0.3897030 0.5000000), wk = 0.0029412 k( 155) = ( 0.3806402 0.3806402 0.5000000), wk = 0.0029412 k( 156) = ( 0.3715773 0.3715773 0.5000000), wk = 0.0029412 k( 157) = ( 0.3625145 0.3625145 0.5000000), wk = 0.0029412 k( 158) = ( 0.3534516 0.3534516 0.5000000), wk = 0.0029412 k( 159) = ( 0.3443887 0.3443887 0.5000000), wk = 0.0029412 k( 160) = ( 0.3353259 0.3353259 0.5000000), wk = 0.0029412 k( 161) = ( 0.3262630 0.3262630 0.5000000), wk = 0.0029412 k( 162) = ( 0.3172002 0.3172001 0.5000000), wk = 0.0029412 k( 163) = ( 0.3081373 0.3081373 0.5000000), wk = 0.0029412 k( 164) = ( 0.2990744 0.2990744 0.5000000), wk = 0.0029412 k( 165) = ( 0.2900116 0.2900116 0.5000000), wk = 0.0029412 k( 166) = ( 0.2809487 0.2809487 0.5000000), wk = 0.0029412 k( 167) = ( 0.2718858 0.2718858 0.5000000), wk = 0.0029412 k( 168) = ( 0.2628230 0.2628230 0.5000000), wk = 0.0029412 k( 169) = ( 0.2537601 0.2537601 0.5000000), wk = 0.0029412 k( 170) = ( 0.2446973 0.2446973 0.5000000), wk = 0.0029412 k( 171) = ( 0.2356344 0.2356344 0.5000000), wk = 0.0029412 k( 172) = ( 0.2265715 0.2265715 0.5000000), wk = 0.0029412 k( 173) = ( 0.2175087 0.2175087 0.5000000), wk = 0.0029412 k( 174) = ( 0.2084458 0.2084458 0.5000000), wk = 0.0029412 k( 175) = ( 0.1993830 0.1993829 0.5000000), wk = 0.0029412 k( 176) = ( 0.1903201 0.1903201 0.5000000), wk = 0.0029412 k( 177) = ( 0.1812572 0.1812572 0.5000000), wk = 0.0029412 k( 178) = ( 0.1721944 0.1721944 0.5000000), wk = 0.0029412 k( 179) = ( 0.1631315 0.1631315 0.5000000), wk = 0.0029412 k( 180) = ( 0.1540686 0.1540686 0.5000000), wk = 0.0029412 k( 181) = ( 0.1450058 0.1450058 0.5000000), wk = 0.0029412 k( 182) = ( 0.1359429 0.1359429 0.5000000), wk = 0.0029412 k( 183) = ( 0.1268801 0.1268801 0.5000000), wk = 0.0029412 k( 184) = ( 0.1178172 0.1178172 0.5000000), wk = 0.0029412 k( 185) = ( 0.1087543 0.1087543 0.5000000), wk = 0.0029412 k( 186) = ( 0.0996915 0.0996915 0.5000000), wk = 0.0029412 k( 187) = ( 0.0906286 0.0906286 0.5000000), wk = 0.0029412 k( 188) = ( 0.0815658 0.0815657 0.5000000), wk = 0.0029412 k( 189) = ( 0.0725029 0.0725029 0.5000000), wk = 0.0029412 k( 190) = ( 0.0634400 0.0634400 0.5000000), wk = 0.0029412 k( 191) = ( 0.0543772 0.0543772 0.5000000), wk = 0.0029412 k( 192) = ( 0.0453143 0.0453143 0.5000000), wk = 0.0029412 k( 193) = ( 0.0362514 0.0362514 0.5000000), wk = 0.0029412 k( 194) = ( 0.0271886 0.0271886 0.5000000), wk = 0.0029412 k( 195) = ( 0.0181257 0.0181257 0.5000000), wk = 0.0029412 k( 196) = ( 0.0090629 0.0090629 0.5000000), wk = 0.0029412 k( 197) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029412 k( 198) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029412 k( 199) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0029412 k( 200) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0029412 k( 201) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0029412 k( 202) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0029412 k( 203) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0029412 k( 204) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0029412 k( 205) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0029412 k( 206) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 207) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 208) = ( -0.0092593 0.0092593 -0.0000000), wk = 0.0029412 k( 209) = ( -0.0185185 0.0185185 -0.0000000), wk = 0.0029412 k( 210) = ( -0.0277778 0.0277778 0.0000000), wk = 0.0029412 k( 211) = ( -0.0370370 0.0370370 -0.0000000), wk = 0.0029412 k( 212) = ( -0.0462963 0.0462963 -0.0000000), wk = 0.0029412 k( 213) = ( -0.0555556 0.0555556 0.0000000), wk = 0.0029412 k( 214) = ( -0.0648148 0.0648148 -0.0000000), wk = 0.0029412 k( 215) = ( -0.0740741 0.0740741 0.0000000), wk = 0.0029412 k( 216) = ( -0.0833333 0.0833333 0.0000000), wk = 0.0029412 k( 217) = ( -0.0925926 0.0925926 -0.0000000), wk = 0.0029412 k( 218) = ( -0.1018518 0.1018518 0.0000000), wk = 0.0029412 k( 219) = ( -0.1111111 0.1111111 -0.0000000), wk = 0.0029412 k( 220) = ( -0.1203704 0.1203704 -0.0000000), wk = 0.0029412 k( 221) = ( -0.1296296 0.1296296 -0.0000000), wk = 0.0029412 k( 222) = ( -0.1388889 0.1388889 -0.0000000), wk = 0.0029412 k( 223) = ( -0.1481482 0.1481482 -0.0000000), wk = 0.0029412 k( 224) = ( -0.1574074 0.1574074 -0.0000000), wk = 0.0029412 k( 225) = ( -0.1666667 0.1666667 -0.0000000), wk = 0.0029412 k( 226) = ( -0.1759259 0.1759259 -0.0000000), wk = 0.0029412 k( 227) = ( -0.1851852 0.1851852 -0.0000000), wk = 0.0029412 k( 228) = ( -0.1944444 0.1944444 -0.0000000), wk = 0.0029412 k( 229) = ( -0.2037037 0.2037037 0.0000000), wk = 0.0029412 k( 230) = ( -0.2129630 0.2129630 -0.0000000), wk = 0.0029412 k( 231) = ( -0.2222222 0.2222222 -0.0000000), wk = 0.0029412 k( 232) = ( -0.2314815 0.2314815 -0.0000000), wk = 0.0029412 k( 233) = ( -0.2407407 0.2407407 -0.0000000), wk = 0.0029412 k( 234) = ( -0.2500000 0.2500000 -0.0000000), wk = 0.0029412 k( 235) = ( -0.2592593 0.2592593 -0.0000000), wk = 0.0029412 k( 236) = ( -0.2685185 0.2685185 0.0000000), wk = 0.0029412 k( 237) = ( -0.2777778 0.2777778 -0.0000000), wk = 0.0029412 k( 238) = ( -0.2870370 0.2870370 -0.0000000), wk = 0.0029412 k( 239) = ( -0.2962963 0.2962963 -0.0000000), wk = 0.0029412 k( 240) = ( -0.3055556 0.3055556 -0.0000000), wk = 0.0029412 k( 241) = ( -0.3148148 0.3148148 0.0000000), wk = 0.0029412 k( 242) = ( -0.3240741 0.3240741 -0.0000000), wk = 0.0029412 k( 243) = ( -0.3333333 0.3333333 -0.0000000), wk = 0.0029412 k( 244) = ( -0.3425926 0.3425926 -0.0000000), wk = 0.0029412 k( 245) = ( -0.3518519 0.3518518 -0.0000000), wk = 0.0029412 k( 246) = ( -0.3611111 0.3611111 -0.0000000), wk = 0.0029412 k( 247) = ( -0.3703704 0.3703704 -0.0000000), wk = 0.0029412 k( 248) = ( -0.3796296 0.3796296 -0.0000000), wk = 0.0029412 k( 249) = ( -0.3888889 0.3888889 -0.0000000), wk = 0.0029412 k( 250) = ( -0.3981481 0.3981481 0.0000000), wk = 0.0029412 k( 251) = ( -0.4074074 0.4074074 0.0000000), wk = 0.0029412 k( 252) = ( -0.4166667 0.4166667 0.0000000), wk = 0.0029412 k( 253) = ( -0.4259259 0.4259259 -0.0000000), wk = 0.0029412 k( 254) = ( -0.4351852 0.4351852 -0.0000000), wk = 0.0029412 k( 255) = ( -0.4444444 0.4444444 -0.0000000), wk = 0.0029412 k( 256) = ( -0.4537037 0.4537037 -0.0000000), wk = 0.0029412 k( 257) = ( -0.4629630 0.4629630 -0.0000000), wk = 0.0029412 k( 258) = ( -0.4722222 0.4722222 0.0000000), wk = 0.0029412 k( 259) = ( -0.4814815 0.4814815 -0.0000000), wk = 0.0029412 k( 260) = ( -0.4907407 0.4907407 -0.0000000), wk = 0.0029412 k( 261) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0029412 k( 262) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0029412 k( 263) = ( -0.4946973 0.5053027 -0.0000000), wk = 0.0029412 k( 264) = ( -0.4893945 0.5106055 -0.0000000), wk = 0.0029412 k( 265) = ( -0.4893945 0.5106055 -0.0000000), wk = 0.0029412 k( 266) = ( -0.4893945 0.5106055 0.0625000), wk = 0.0029412 k( 267) = ( -0.4893945 0.5106055 0.1250000), wk = 0.0029412 k( 268) = ( -0.4893945 0.5106055 0.1875000), wk = 0.0029412 k( 269) = ( -0.4893945 0.5106055 0.2500000), wk = 0.0029412 k( 270) = ( -0.4893945 0.5106055 0.3125000), wk = 0.0029412 k( 271) = ( -0.4893945 0.5106055 0.3750000), wk = 0.0029412 k( 272) = ( -0.4893945 0.5106055 0.4375000), wk = 0.0029412 k( 273) = ( -0.4893945 0.5106055 0.5000000), wk = 0.0029412 k( 274) = ( -0.4893945 0.5106055 0.5000000), wk = 0.0029412 k( 275) = ( -0.4946973 0.5053027 0.5000000), wk = 0.0029412 k( 276) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0029412 k( 277) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0029412 k( 278) = ( -0.5000000 0.5000000 0.4375000), wk = 0.0029412 k( 279) = ( -0.5000000 0.5000000 0.3750000), wk = 0.0029412 k( 280) = ( -0.5000000 0.5000000 0.3125000), wk = 0.0029412 k( 281) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0029412 k( 282) = ( -0.5000000 0.5000000 0.1875000), wk = 0.0029412 k( 283) = ( -0.5000000 0.5000000 0.1250000), wk = 0.0029412 k( 284) = ( -0.5000000 0.5000000 0.0625000), wk = 0.0029412 k( 285) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0029412 k( 286) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029412 k( 287) = ( -0.0092593 0.0092593 0.5000000), wk = 0.0029412 k( 288) = ( -0.0185185 0.0185185 0.5000000), wk = 0.0029412 k( 289) = ( -0.0277778 0.0277778 0.5000000), wk = 0.0029412 k( 290) = ( -0.0370370 0.0370370 0.5000000), wk = 0.0029412 k( 291) = ( -0.0462963 0.0462963 0.5000000), wk = 0.0029412 k( 292) = ( -0.0555556 0.0555556 0.5000000), wk = 0.0029412 k( 293) = ( -0.0648148 0.0648148 0.5000000), wk = 0.0029412 k( 294) = ( -0.0740741 0.0740741 0.5000000), wk = 0.0029412 k( 295) = ( -0.0833333 0.0833333 0.5000000), wk = 0.0029412 k( 296) = ( -0.0925926 0.0925926 0.5000000), wk = 0.0029412 k( 297) = ( -0.1018518 0.1018518 0.5000000), wk = 0.0029412 k( 298) = ( -0.1111111 0.1111111 0.5000000), wk = 0.0029412 k( 299) = ( -0.1203704 0.1203704 0.5000000), wk = 0.0029412 k( 300) = ( -0.1296296 0.1296296 0.5000000), wk = 0.0029412 k( 301) = ( -0.1388889 0.1388889 0.5000000), wk = 0.0029412 k( 302) = ( -0.1481482 0.1481482 0.5000000), wk = 0.0029412 k( 303) = ( -0.1574074 0.1574074 0.5000000), wk = 0.0029412 k( 304) = ( -0.1666667 0.1666667 0.5000000), wk = 0.0029412 k( 305) = ( -0.1759259 0.1759259 0.5000000), wk = 0.0029412 k( 306) = ( -0.1851852 0.1851852 0.5000000), wk = 0.0029412 k( 307) = ( -0.1944444 0.1944444 0.5000000), wk = 0.0029412 k( 308) = ( -0.2037037 0.2037037 0.5000000), wk = 0.0029412 k( 309) = ( -0.2129630 0.2129630 0.5000000), wk = 0.0029412 k( 310) = ( -0.2222222 0.2222222 0.5000000), wk = 0.0029412 k( 311) = ( -0.2314815 0.2314815 0.5000000), wk = 0.0029412 k( 312) = ( -0.2407407 0.2407407 0.5000000), wk = 0.0029412 k( 313) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0029412 k( 314) = ( -0.2592593 0.2592593 0.5000000), wk = 0.0029412 k( 315) = ( -0.2685185 0.2685185 0.5000000), wk = 0.0029412 k( 316) = ( -0.2777778 0.2777778 0.5000000), wk = 0.0029412 k( 317) = ( -0.2870370 0.2870370 0.5000000), wk = 0.0029412 k( 318) = ( -0.2962963 0.2962963 0.5000000), wk = 0.0029412 k( 319) = ( -0.3055556 0.3055556 0.5000000), wk = 0.0029412 k( 320) = ( -0.3148148 0.3148148 0.5000000), wk = 0.0029412 k( 321) = ( -0.3240741 0.3240741 0.5000000), wk = 0.0029412 k( 322) = ( -0.3333333 0.3333333 0.5000000), wk = 0.0029412 k( 323) = ( -0.3425926 0.3425926 0.5000000), wk = 0.0029412 k( 324) = ( -0.3518519 0.3518518 0.5000000), wk = 0.0029412 k( 325) = ( -0.3611111 0.3611111 0.5000000), wk = 0.0029412 k( 326) = ( -0.3703704 0.3703704 0.5000000), wk = 0.0029412 k( 327) = ( -0.3796296 0.3796296 0.5000000), wk = 0.0029412 k( 328) = ( -0.3888889 0.3888889 0.5000000), wk = 0.0029412 k( 329) = ( -0.3981481 0.3981481 0.5000000), wk = 0.0029412 k( 330) = ( -0.4074074 0.4074074 0.5000000), wk = 0.0029412 k( 331) = ( -0.4166667 0.4166667 0.5000000), wk = 0.0029412 k( 332) = ( -0.4259259 0.4259259 0.5000000), wk = 0.0029412 k( 333) = ( -0.4351852 0.4351852 0.5000000), wk = 0.0029412 k( 334) = ( -0.4444444 0.4444444 0.5000000), wk = 0.0029412 k( 335) = ( -0.4537037 0.4537037 0.5000000), wk = 0.0029412 k( 336) = ( -0.4629630 0.4629630 0.5000000), wk = 0.0029412 k( 337) = ( -0.4722222 0.4722222 0.5000000), wk = 0.0029412 k( 338) = ( -0.4814815 0.4814815 0.5000000), wk = 0.0029412 k( 339) = ( -0.4907407 0.4907407 0.5000000), wk = 0.0029412 k( 340) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0029412 Dense grid: 119597 G-vectors FFT dimensions: ( 36, 36, 192) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.48 Mb ( 720, 44) NL pseudopotentials 1.41 Mb ( 360, 256) Each V/rho on FFT grid 0.08 Mb ( 5184) Each G-vector array 0.02 Mb ( 2498) G-vector shells 0.01 Mb ( 1259) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.93 Mb ( 720, 176) Each subspace H/S matrix 0.47 Mb ( 176, 176) Each matrix 0.34 Mb ( 256, 2, 44) The potential is recalculated from file : ./LaS.save/charge-density.dat Starting wfc are 104 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 46.2 secs Computing kpt #: 2 total cpu time spent up to now is 52.7 secs Computing kpt #: 3 total cpu time spent up to now is 59.2 secs Computing kpt #: 4 total cpu time spent up to now is 65.2 secs Computing kpt #: 5 total cpu time spent up to now is 71.3 secs Computing kpt #: 6 total cpu time spent up to now is 77.6 secs Computing kpt #: 7 total cpu time spent up to now is 83.6 secs Computing kpt #: 8 total cpu time spent up to now is 90.1 secs Computing kpt #: 9 total cpu time spent up to now is 97.3 secs Computing kpt #: 10 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 104.9 secs Computing kpt #: 11 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 112.4 secs Computing kpt #: 12 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 120.3 secs Computing kpt #: 13 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 128.5 secs Computing kpt #: 14 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 137.0 secs Computing kpt #: 15 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 144.8 secs Computing kpt #: 16 total cpu time spent up to now is 151.8 secs Computing kpt #: 17 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 159.5 secs Computing kpt #: 18 total cpu time spent up to now is 165.6 secs Computing kpt #: 19 total cpu time spent up to now is 171.3 secs Computing kpt #: 20 total cpu time spent up to now is 176.7 secs Computing kpt #: 21 total cpu time spent up to now is 182.0 secs Computing kpt #: 22 total cpu time spent up to now is 187.1 secs Computing kpt #: 23 total cpu time spent up to now is 192.1 secs Computing kpt #: 24 total cpu time spent up to now is 197.0 secs Computing kpt #: 25 total cpu time spent up to now is 202.1 secs Computing kpt #: 26 total cpu time spent up to now is 206.9 secs Computing kpt #: 27 total cpu time spent up to now is 211.6 secs Computing kpt #: 28 total cpu time spent up to now is 216.4 secs Computing kpt #: 29 total cpu time spent up to now is 221.4 secs Computing kpt #: 30 total cpu time spent up to now is 226.7 secs Computing kpt #: 31 total cpu time spent up to now is 232.9 secs Computing kpt #: 32 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 240.9 secs Computing kpt #: 33 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 248.8 secs Computing kpt #: 34 total cpu time spent up to now is 255.5 secs Computing kpt #: 35 total cpu time spent up to now is 261.5 secs Computing kpt #: 36 total cpu time spent up to now is 267.4 secs Computing kpt #: 37 total cpu time spent up to now is 273.3 secs Computing kpt #: 38 total cpu time spent up to now is 279.2 secs Computing kpt #: 39 total cpu time spent up to now is 285.1 secs Computing kpt #: 40 total cpu time spent up to now is 291.0 secs Computing kpt #: 41 total cpu time spent up to now is 296.9 secs Computing kpt #: 42 total cpu time spent up to now is 302.7 secs Computing kpt #: 43 total cpu time spent up to now is 309.4 secs Computing kpt #: 44 total cpu time spent up to now is 316.9 secs Computing kpt #: 45 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 324.6 secs Computing kpt #: 46 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 332.5 secs Computing kpt #: 47 total cpu time spent up to now is 339.9 secs Computing kpt #: 48 total cpu time spent up to now is 347.5 secs Computing kpt #: 49 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 355.4 secs Computing kpt #: 50 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 363.5 secs Computing kpt #: 51 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 371.4 secs Computing kpt #: 52 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 379.6 secs Computing kpt #: 53 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 387.8 secs Computing kpt #: 54 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 396.1 secs Computing kpt #: 55 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 404.6 secs Computing kpt #: 56 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 412.9 secs Computing kpt #: 57 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 421.3 secs Computing kpt #: 58 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 429.6 secs Computing kpt #: 59 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 437.8 secs Computing kpt #: 60 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 446.0 secs Computing kpt #: 61 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 454.1 secs Computing kpt #: 62 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 462.0 secs Computing kpt #: 63 total cpu time spent up to now is 469.8 secs Computing kpt #: 64 total cpu time spent up to now is 477.3 secs Computing kpt #: 65 total cpu time spent up to now is 484.3 secs Computing kpt #: 66 total cpu time spent up to now is 491.0 secs Computing kpt #: 67 total cpu time spent up to now is 498.0 secs Computing kpt #: 68 total cpu time spent up to now is 504.4 secs Computing kpt #: 69 total cpu time spent up to now is 510.6 secs Computing kpt #: 70 total cpu time spent up to now is 516.8 secs Computing kpt #: 71 total cpu time spent up to now is 522.9 secs Computing kpt #: 72 total cpu time spent up to now is 529.1 secs Computing kpt #: 73 total cpu time spent up to now is 535.4 secs Computing kpt #: 74 total cpu time spent up to now is 541.7 secs Computing kpt #: 75 total cpu time spent up to now is 547.8 secs Computing kpt #: 76 total cpu time spent up to now is 554.0 secs Computing kpt #: 77 total cpu time spent up to now is 560.1 secs Computing kpt #: 78 total cpu time spent up to now is 566.2 secs Computing kpt #: 79 total cpu time spent up to now is 572.3 secs Computing kpt #: 80 total cpu time spent up to now is 578.3 secs Computing kpt #: 81 total cpu time spent up to now is 584.4 secs Computing kpt #: 82 total cpu time spent up to now is 590.5 secs Computing kpt #: 83 total cpu time spent up to now is 597.0 secs Computing kpt #: 84 total cpu time spent up to now is 603.5 secs Computing kpt #: 85 total cpu time spent up to now is 610.3 secs Computing kpt #: 86 total cpu time spent up to now is 617.1 secs Computing kpt #: 87 total cpu time spent up to now is 624.0 secs Computing kpt #: 88 total cpu time spent up to now is 631.6 secs Computing kpt #: 89 total cpu time spent up to now is 639.5 secs Computing kpt #: 90 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 647.5 secs Computing kpt #: 91 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 655.8 secs Computing kpt #: 92 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 664.0 secs Computing kpt #: 93 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 672.4 secs Computing kpt #: 94 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 680.7 secs Computing kpt #: 95 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 689.0 secs Computing kpt #: 96 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 697.4 secs Computing kpt #: 97 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 705.6 secs Computing kpt #: 98 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 713.9 secs Computing kpt #: 99 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 722.1 secs Computing kpt #: 100 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 730.4 secs Computing kpt #: 101 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 738.7 secs Computing kpt #: 102 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 747.0 secs Computing kpt #: 103 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 755.3 secs Computing kpt #: 104 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 763.6 secs Computing kpt #: 105 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 772.0 secs Computing kpt #: 106 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 780.2 secs Computing kpt #: 107 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 788.4 secs Computing kpt #: 108 total cpu time spent up to now is 796.1 secs Computing kpt #: 109 total cpu time spent up to now is 803.3 secs Computing kpt #: 110 total cpu time spent up to now is 810.2 secs Computing kpt #: 111 total cpu time spent up to now is 817.0 secs Computing kpt #: 112 total cpu time spent up to now is 823.4 secs Computing kpt #: 113 total cpu time spent up to now is 829.8 secs Computing kpt #: 114 total cpu time spent up to now is 836.1 secs Computing kpt #: 115 total cpu time spent up to now is 842.1 secs Computing kpt #: 116 total cpu time spent up to now is 848.2 secs Computing kpt #: 117 total cpu time spent up to now is 854.2 secs Computing kpt #: 118 total cpu time spent up to now is 860.2 secs Computing kpt #: 119 total cpu time spent up to now is 866.4 secs Computing kpt #: 120 total cpu time spent up to now is 872.5 secs Computing kpt #: 121 total cpu time spent up to now is 878.6 secs Computing kpt #: 122 total cpu time spent up to now is 884.7 secs Computing kpt #: 123 total cpu time spent up to now is 890.8 secs Computing kpt #: 124 total cpu time spent up to now is 896.8 secs Computing kpt #: 125 total cpu time spent up to now is 902.9 secs Computing kpt #: 126 total cpu time spent up to now is 909.0 secs Computing kpt #: 127 total cpu time spent up to now is 915.1 secs Computing kpt #: 128 total cpu time spent up to now is 921.2 secs Computing kpt #: 129 total cpu time spent up to now is 927.9 secs Computing kpt #: 130 total cpu time spent up to now is 934.1 secs Computing kpt #: 131 total cpu time spent up to now is 940.3 secs Computing kpt #: 132 total cpu time spent up to now is 946.5 secs Computing kpt #: 133 total cpu time spent up to now is 953.2 secs Computing kpt #: 134 total cpu time spent up to now is 960.9 secs Computing kpt #: 135 total cpu time spent up to now is 968.4 secs Computing kpt #: 136 total cpu time spent up to now is 976.2 secs Computing kpt #: 137 total cpu time spent up to now is 984.0 secs Computing kpt #: 138 total cpu time spent up to now is 992.0 secs Computing kpt #: 139 total cpu time spent up to now is 1000.1 secs Computing kpt #: 140 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1008.4 secs Computing kpt #: 141 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1016.7 secs Computing kpt #: 142 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1025.0 secs Computing kpt #: 143 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1033.1 secs Computing kpt #: 144 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1041.5 secs Computing kpt #: 145 total cpu time spent up to now is 1049.5 secs Computing kpt #: 146 total cpu time spent up to now is 1057.3 secs Computing kpt #: 147 total cpu time spent up to now is 1065.0 secs Computing kpt #: 148 total cpu time spent up to now is 1072.6 secs Computing kpt #: 149 total cpu time spent up to now is 1080.4 secs Computing kpt #: 150 total cpu time spent up to now is 1087.7 secs Computing kpt #: 151 total cpu time spent up to now is 1094.6 secs Computing kpt #: 152 total cpu time spent up to now is 1101.1 secs Computing kpt #: 153 total cpu time spent up to now is 1107.0 secs Computing kpt #: 154 total cpu time spent up to now is 1112.4 secs Computing kpt #: 155 total cpu time spent up to now is 1117.8 secs Computing kpt #: 156 total cpu time spent up to now is 1123.1 secs Computing kpt #: 157 total cpu time spent up to now is 1128.4 secs Computing kpt #: 158 total cpu time spent up to now is 1133.7 secs Computing kpt #: 159 total cpu time spent up to now is 1139.0 secs Computing kpt #: 160 total cpu time spent up to now is 1144.3 secs Computing kpt #: 161 total cpu time spent up to now is 1149.6 secs Computing kpt #: 162 total cpu time spent up to now is 1155.0 secs Computing kpt #: 163 total cpu time spent up to now is 1160.5 secs Computing kpt #: 164 total cpu time spent up to now is 1166.7 secs Computing kpt #: 165 total cpu time spent up to now is 1173.9 secs Computing kpt #: 166 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1182.1 secs Computing kpt #: 167 total cpu time spent up to now is 1188.2 secs Computing kpt #: 168 total cpu time spent up to now is 1193.4 secs Computing kpt #: 169 total cpu time spent up to now is 1198.5 secs Computing kpt #: 170 total cpu time spent up to now is 1203.2 secs Computing kpt #: 171 total cpu time spent up to now is 1207.9 secs Computing kpt #: 172 total cpu time spent up to now is 1212.7 secs Computing kpt #: 173 total cpu time spent up to now is 1217.4 secs Computing kpt #: 174 total cpu time spent up to now is 1222.1 secs Computing kpt #: 175 total cpu time spent up to now is 1226.8 secs Computing kpt #: 176 total cpu time spent up to now is 1231.5 secs Computing kpt #: 177 total cpu time spent up to now is 1236.6 secs Computing kpt #: 178 total cpu time spent up to now is 1241.6 secs Computing kpt #: 179 total cpu time spent up to now is 1246.8 secs Computing kpt #: 180 total cpu time spent up to now is 1252.1 secs Computing kpt #: 181 total cpu time spent up to now is 1257.9 secs Computing kpt #: 182 total cpu time spent up to now is 1263.9 secs Computing kpt #: 183 total cpu time spent up to now is 1271.1 secs Computing kpt #: 184 total cpu time spent up to now is 1279.5 secs Computing kpt #: 185 total cpu time spent up to now is 1286.6 secs Computing kpt #: 186 total cpu time spent up to now is 1292.9 secs Computing kpt #: 187 total cpu time spent up to now is 1298.7 secs Computing kpt #: 188 total cpu time spent up to now is 1304.3 secs Computing kpt #: 189 total cpu time spent up to now is 1309.8 secs Computing kpt #: 190 total cpu time spent up to now is 1315.1 secs Computing kpt #: 191 total cpu time spent up to now is 1320.4 secs Computing kpt #: 192 total cpu time spent up to now is 1325.6 secs Computing kpt #: 193 total cpu time spent up to now is 1330.7 secs Computing kpt #: 194 total cpu time spent up to now is 1335.8 secs Computing kpt #: 195 total cpu time spent up to now is 1340.9 secs Computing kpt #: 196 total cpu time spent up to now is 1346.1 secs Computing kpt #: 197 total cpu time spent up to now is 1351.2 secs Computing kpt #: 198 total cpu time spent up to now is 1356.3 secs Computing kpt #: 199 total cpu time spent up to now is 1361.5 secs Computing kpt #: 200 total cpu time spent up to now is 1366.7 secs Computing kpt #: 201 total cpu time spent up to now is 1371.9 secs Computing kpt #: 202 total cpu time spent up to now is 1377.2 secs Computing kpt #: 203 total cpu time spent up to now is 1382.9 secs Computing kpt #: 204 total cpu time spent up to now is 1388.6 secs Computing kpt #: 205 total cpu time spent up to now is 1395.0 secs Computing kpt #: 206 total cpu time spent up to now is 1401.5 secs Computing kpt #: 207 total cpu time spent up to now is 1408.0 secs Computing kpt #: 208 total cpu time spent up to now is 1414.0 secs Computing kpt #: 209 total cpu time spent up to now is 1419.7 secs Computing kpt #: 210 total cpu time spent up to now is 1426.1 secs Computing kpt #: 211 total cpu time spent up to now is 1433.1 secs Computing kpt #: 212 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1440.6 secs Computing kpt #: 213 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1447.9 secs Computing kpt #: 214 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1455.5 secs Computing kpt #: 215 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1463.1 secs Computing kpt #: 216 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1470.7 secs Computing kpt #: 217 total cpu time spent up to now is 1478.2 secs Computing kpt #: 218 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1486.1 secs Computing kpt #: 219 total cpu time spent up to now is 1494.6 secs Computing kpt #: 220 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1502.9 secs Computing kpt #: 221 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1510.5 secs Computing kpt #: 222 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1518.3 secs Computing kpt #: 223 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1525.9 secs Computing kpt #: 224 total cpu time spent up to now is 1531.9 secs Computing kpt #: 225 total cpu time spent up to now is 1537.6 secs Computing kpt #: 226 total cpu time spent up to now is 1542.9 secs Computing kpt #: 227 total cpu time spent up to now is 1547.9 secs Computing kpt #: 228 total cpu time spent up to now is 1553.0 secs Computing kpt #: 229 total cpu time spent up to now is 1558.0 secs Computing kpt #: 230 total cpu time spent up to now is 1563.0 secs Computing kpt #: 231 total cpu time spent up to now is 1567.7 secs Computing kpt #: 232 total cpu time spent up to now is 1572.4 secs Computing kpt #: 233 total cpu time spent up to now is 1577.1 secs Computing kpt #: 234 total cpu time spent up to now is 1581.9 secs Computing kpt #: 235 total cpu time spent up to now is 1586.6 secs Computing kpt #: 236 total cpu time spent up to now is 1592.0 secs Computing kpt #: 237 total cpu time spent up to now is 1598.1 secs Computing kpt #: 238 total cpu time spent up to now is 1605.7 secs Computing kpt #: 239 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1613.6 secs Computing kpt #: 240 total cpu time spent up to now is 1621.1 secs Computing kpt #: 241 total cpu time spent up to now is 1627.3 secs Computing kpt #: 242 total cpu time spent up to now is 1632.9 secs Computing kpt #: 243 total cpu time spent up to now is 1638.4 secs Computing kpt #: 244 total cpu time spent up to now is 1644.2 secs Computing kpt #: 245 total cpu time spent up to now is 1650.1 secs Computing kpt #: 246 total cpu time spent up to now is 1655.8 secs Computing kpt #: 247 total cpu time spent up to now is 1661.7 secs Computing kpt #: 248 total cpu time spent up to now is 1667.1 secs Computing kpt #: 249 total cpu time spent up to now is 1673.1 secs Computing kpt #: 250 total cpu time spent up to now is 1679.7 secs Computing kpt #: 251 total cpu time spent up to now is 1686.6 secs Computing kpt #: 252 total cpu time spent up to now is 1694.2 secs Computing kpt #: 253 total cpu time spent up to now is 1701.8 secs Computing kpt #: 254 total cpu time spent up to now is 1709.5 secs Computing kpt #: 255 total cpu time spent up to now is 1717.3 secs Computing kpt #: 256 total cpu time spent up to now is 1725.1 secs Computing kpt #: 257 total cpu time spent up to now is 1732.9 secs Computing kpt #: 258 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1741.2 secs Computing kpt #: 259 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1749.6 secs Computing kpt #: 260 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1757.9 secs Computing kpt #: 261 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 1766.3 secs Computing kpt #: 262 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1774.6 secs Computing kpt #: 263 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 1782.9 secs Computing kpt #: 264 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 1791.2 secs Computing kpt #: 265 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1799.7 secs Computing kpt #: 266 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 1807.9 secs Computing kpt #: 267 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 1816.2 secs Computing kpt #: 268 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 1824.4 secs Computing kpt #: 269 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 1832.8 secs Computing kpt #: 270 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 1841.1 secs Computing kpt #: 271 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1849.3 secs Computing kpt #: 272 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1857.5 secs Computing kpt #: 273 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1865.6 secs Computing kpt #: 274 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1873.8 secs Computing kpt #: 275 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1882.1 secs Computing kpt #: 276 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 1890.3 secs Computing kpt #: 277 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1898.5 secs Computing kpt #: 278 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 1906.7 secs Computing kpt #: 279 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 1915.0 secs Computing kpt #: 280 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 1923.4 secs Computing kpt #: 281 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 1931.6 secs Computing kpt #: 282 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 1939.9 secs Computing kpt #: 283 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1948.3 secs Computing kpt #: 284 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 1956.6 secs Computing kpt #: 285 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 1964.9 secs Computing kpt #: 286 total cpu time spent up to now is 1970.0 secs Computing kpt #: 287 total cpu time spent up to now is 1975.1 secs Computing kpt #: 288 total cpu time spent up to now is 1980.2 secs Computing kpt #: 289 total cpu time spent up to now is 1985.3 secs Computing kpt #: 290 total cpu time spent up to now is 1990.4 secs Computing kpt #: 291 total cpu time spent up to now is 1995.7 secs Computing kpt #: 292 total cpu time spent up to now is 2001.4 secs Computing kpt #: 293 total cpu time spent up to now is 2006.9 secs Computing kpt #: 294 total cpu time spent up to now is 2012.9 secs Computing kpt #: 295 total cpu time spent up to now is 2019.0 secs Computing kpt #: 296 total cpu time spent up to now is 2025.2 secs Computing kpt #: 297 total cpu time spent up to now is 2031.7 secs Computing kpt #: 298 total cpu time spent up to now is 2037.9 secs Computing kpt #: 299 total cpu time spent up to now is 2045.1 secs Computing kpt #: 300 total cpu time spent up to now is 2052.4 secs Computing kpt #: 301 total cpu time spent up to now is 2058.5 secs Computing kpt #: 302 total cpu time spent up to now is 2064.0 secs Computing kpt #: 303 total cpu time spent up to now is 2069.3 secs Computing kpt #: 304 total cpu time spent up to now is 2074.5 secs Computing kpt #: 305 total cpu time spent up to now is 2079.5 secs Computing kpt #: 306 total cpu time spent up to now is 2084.5 secs Computing kpt #: 307 total cpu time spent up to now is 2089.2 secs Computing kpt #: 308 total cpu time spent up to now is 2093.9 secs Computing kpt #: 309 total cpu time spent up to now is 2098.6 secs Computing kpt #: 310 total cpu time spent up to now is 2103.2 secs Computing kpt #: 311 total cpu time spent up to now is 2107.9 secs Computing kpt #: 312 total cpu time spent up to now is 2112.6 secs Computing kpt #: 313 total cpu time spent up to now is 2117.4 secs Computing kpt #: 314 total cpu time spent up to now is 2122.1 secs Computing kpt #: 315 total cpu time spent up to now is 2127.3 secs Computing kpt #: 316 total cpu time spent up to now is 2132.8 secs Computing kpt #: 317 total cpu time spent up to now is 2140.5 secs Computing kpt #: 318 total cpu time spent up to now is 2147.5 secs Computing kpt #: 319 total cpu time spent up to now is 2153.9 secs Computing kpt #: 320 total cpu time spent up to now is 2159.4 secs Computing kpt #: 321 total cpu time spent up to now is 2164.8 secs Computing kpt #: 322 total cpu time spent up to now is 2170.0 secs Computing kpt #: 323 total cpu time spent up to now is 2175.3 secs Computing kpt #: 324 total cpu time spent up to now is 2180.5 secs Computing kpt #: 325 total cpu time spent up to now is 2185.7 secs Computing kpt #: 326 total cpu time spent up to now is 2191.0 secs Computing kpt #: 327 total cpu time spent up to now is 2196.3 secs Computing kpt #: 328 total cpu time spent up to now is 2201.8 secs Computing kpt #: 329 total cpu time spent up to now is 2207.3 secs Computing kpt #: 330 total cpu time spent up to now is 2213.3 secs Computing kpt #: 331 total cpu time spent up to now is 2219.4 secs Computing kpt #: 332 total cpu time spent up to now is 2226.1 secs Computing kpt #: 333 total cpu time spent up to now is 2232.9 secs Computing kpt #: 334 total cpu time spent up to now is 2239.9 secs Computing kpt #: 335 total cpu time spent up to now is 2246.9 secs Computing kpt #: 336 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2255.0 secs Computing kpt #: 337 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 2263.3 secs Computing kpt #: 338 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 2271.5 secs Computing kpt #: 339 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2279.6 secs Computing kpt #: 340 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2287.8 secs ethr = 2.78E-11, avg # of iterations = 82.6 total cpu time spent up to now is 2287.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 14971 PWs) bands (ev): -10.7696 -10.7696 -10.7696 -10.7696 -10.6652 -10.6652 -10.6652 -10.6652 -1.1233 -1.1233 -1.1131 -1.1131 -0.8369 -0.8369 -0.8325 -0.8325 -0.0659 -0.0659 -0.0659 -0.0659 -0.0058 -0.0058 -0.0057 -0.0057 0.0919 0.0919 0.0919 0.0919 0.2339 0.2339 0.2340 0.2340 1.0079 1.0079 1.0080 1.0080 2.6167 2.6167 2.6168 2.6168 3.1450 3.1450 3.5365 3.5365 k = 0.0091 0.0093-0.0000 ( 14981 PWs) bands (ev): -10.7686 -10.7686 -10.7686 -10.7686 -10.6643 -10.6643 -10.6643 -10.6643 -1.1235 -1.1235 -1.1133 -1.1133 -0.8381 -0.8381 -0.8337 -0.8337 -0.0696 -0.0696 -0.0696 -0.0696 -0.0125 -0.0125 -0.0125 -0.0125 0.0840 0.0840 0.0841 0.0841 0.2253 0.2253 0.2253 0.2253 1.0183 1.0183 1.0183 1.0183 2.6225 2.6225 2.6225 2.6225 3.1462 3.1462 3.5378 3.5378 k = 0.0181 0.0185-0.0000 ( 14979 PWs) bands (ev): -10.7656 -10.7656 -10.7656 -10.7656 -10.6617 -10.6617 -10.6617 -10.6617 -1.1242 -1.1242 -1.1140 -1.1140 -0.8418 -0.8418 -0.8375 -0.8375 -0.0811 -0.0811 -0.0811 -0.0811 -0.0322 -0.0322 -0.0322 -0.0322 0.0614 0.0614 0.0615 0.0615 0.1998 0.1998 0.1998 0.1998 1.0484 1.0484 1.0485 1.0485 2.6396 2.6396 2.6397 2.6397 3.1496 3.1496 3.5418 3.5418 k = 0.0272 0.0278-0.0000 ( 14993 PWs) bands (ev): -10.7606 -10.7606 -10.7606 -10.7606 -10.6573 -10.6573 -10.6573 -10.6573 -1.1252 -1.1252 -1.1152 -1.1152 -0.8481 -0.8481 -0.8439 -0.8439 -0.1021 -0.1021 -0.1021 -0.1021 -0.0627 -0.0627 -0.0627 -0.0627 0.0269 0.0269 0.0270 0.0270 0.1590 0.1590 0.1591 0.1591 1.0961 1.0961 1.0961 1.0961 2.6680 2.6680 2.6681 2.6681 3.1553 3.1553 3.5482 3.5482 k = 0.0363 0.0370-0.0000 ( 14991 PWs) bands (ev): -10.7537 -10.7537 -10.7537 -10.7537 -10.6513 -10.6513 -10.6513 -10.6513 -1.1267 -1.1267 -1.1168 -1.1168 -0.8572 -0.8572 -0.8531 -0.8531 -0.1364 -0.1364 -0.1363 -0.1363 -0.1011 -0.1011 -0.1011 -0.1011 -0.0145 -0.0145 -0.0143 -0.0143 0.1051 0.1051 0.1051 0.1051 1.1583 1.1583 1.1583 1.1583 2.7071 2.7071 2.7072 2.7072 3.1633 3.1633 3.5565 3.5565 k = 0.0453 0.0463-0.0000 ( 14975 PWs) bands (ev): -10.7450 -10.7450 -10.7450 -10.7450 -10.6436 -10.6436 -10.6436 -10.6436 -1.1286 -1.1286 -1.1188 -1.1188 -0.8694 -0.8694 -0.8654 -0.8654 -0.1874 -0.1874 -0.1872 -0.1872 -0.1458 -0.1458 -0.1458 -0.1458 -0.0561 -0.0561 -0.0560 -0.0560 0.0405 0.0405 0.0406 0.0406 1.2326 1.2326 1.2326 1.2326 2.7565 2.7565 2.7566 2.7566 3.1736 3.1736 3.5663 3.5663 k = 0.0544 0.0556-0.0000 ( 14979 PWs) bands (ev): -10.7345 -10.7345 -10.7345 -10.7345 -10.6344 -10.6344 -10.6344 -10.6344 -1.1308 -1.1308 -1.1211 -1.1211 -0.8851 -0.8851 -0.8813 -0.8813 -0.2535 -0.2535 -0.2532 -0.2532 -0.1980 -0.1980 -0.1979 -0.1979 -0.0942 -0.0942 -0.0941 -0.0941 -0.0314 -0.0314 -0.0314 -0.0314 1.3168 1.3168 1.3168 1.3168 2.8156 2.8156 2.8157 2.8157 3.1861 3.1861 3.5769 3.5769 k = 0.0634 0.0648-0.0000 ( 14981 PWs) bands (ev): -10.7223 -10.7223 -10.7223 -10.7223 -10.6237 -10.6237 -10.6237 -10.6237 -1.1334 -1.1334 -1.1239 -1.1239 -0.9051 -0.9051 -0.9016 -0.9016 -0.3303 -0.3303 -0.3297 -0.3297 -0.2584 -0.2584 -0.2581 -0.2581 -0.1298 -0.1298 -0.1297 -0.1297 -0.1064 -0.1064 -0.1064 -0.1064 1.4091 1.4091 1.4091 1.4091 2.8838 2.8838 2.8839 2.8839 3.2009 3.2009 3.5871 3.5871 k = 0.0725 0.0741-0.0000 ( 14980 PWs) bands (ev): -10.7086 -10.7086 -10.7086 -10.7086 -10.6117 -10.6117 -10.6116 -10.6116 -1.1363 -1.1363 -1.1270 -1.1270 -0.9306 -0.9306 -0.9275 -0.9275 -0.4126 -0.4126 -0.4118 -0.4118 -0.3278 -0.3278 -0.3276 -0.3276 -0.1811 -0.1811 -0.1811 -0.1811 -0.1629 -0.1629 -0.1629 -0.1629 1.5083 1.5083 1.5083 1.5083 2.9604 2.9604 2.9605 2.9605 3.2179 3.2179 3.5942 3.5942 k = 0.0816 0.0834-0.0000 ( 14986 PWs) bands (ev): -10.6934 -10.6934 -10.6934 -10.6934 -10.5984 -10.5984 -10.5984 -10.5984 -1.1398 -1.1398 -1.1307 -1.1307 -0.9630 -0.9630 -0.9604 -0.9604 -0.4960 -0.4960 -0.4949 -0.4949 -0.4069 -0.4069 -0.4066 -0.4066 -0.2484 -0.2484 -0.2484 -0.2484 -0.1975 -0.1975 -0.1975 -0.1975 1.6135 1.6135 1.6135 1.6135 3.0448 3.0448 3.0449 3.0449 3.2371 3.2371 3.5909 3.5909 k = 0.0906 0.0926-0.0000 ( 14996 PWs) bands (ev): -10.6770 -10.6770 -10.6770 -10.6770 -10.5840 -10.5840 -10.5840 -10.5840 -1.1440 -1.1440 -1.1353 -1.1353 -1.0042 -1.0042 -1.0022 -1.0022 -0.5772 -0.5772 -0.5760 -0.5760 -0.4930 -0.4930 -0.4924 -0.4924 -0.3089 -0.3089 -0.3089 -0.3089 -0.2321 -0.2321 -0.2320 -0.2320 1.7239 1.7239 1.7239 1.7239 3.1363 3.1363 3.1364 3.1364 3.2584 3.2584 3.5711 3.5711 k = 0.0997 0.1019-0.0000 ( 14988 PWs) bands (ev): -10.6595 -10.6595 -10.6595 -10.6595 -10.5687 -10.5687 -10.5687 -10.5687 -1.1500 -1.1500 -1.1417 -1.1417 -1.0551 -1.0551 -1.0539 -1.0539 -0.6557 -0.6557 -0.6545 -0.6545 -0.5792 -0.5792 -0.5781 -0.5781 -0.3634 -0.3634 -0.3634 -0.3634 -0.2667 -0.2667 -0.2667 -0.2667 1.8389 1.8389 1.8389 1.8389 3.2340 3.2340 3.2341 3.2341 3.2817 3.2817 3.5390 3.5390 k = 0.1088 0.1111-0.0000 ( 14990 PWs) bands (ev): -10.6411 -10.6411 -10.6411 -10.6411 -10.5526 -10.5526 -10.5525 -10.5525 -1.1614 -1.1614 -1.1550 -1.1550 -1.1128 -1.1128 -1.1120 -1.1120 -0.7357 -0.7357 -0.7350 -0.7350 -0.6549 -0.6549 -0.6531 -0.6531 -0.4133 -0.4133 -0.4132 -0.4132 -0.3015 -0.3015 -0.3014 -0.3014 1.9580 1.9580 1.9580 1.9580 3.3062 3.3062 3.3362 3.3362 3.3368 3.3368 3.5020 3.5020 k = 0.1178 0.1204-0.0000 ( 14998 PWs) bands (ev): -10.6219 -10.6219 -10.6219 -10.6219 -10.5358 -10.5358 -10.5358 -10.5358 -1.2034 -1.2034 -1.2028 -1.2028 -1.1539 -1.1539 -1.1473 -1.1473 -0.8201 -0.8201 -0.8199 -0.8199 -0.7133 -0.7133 -0.7108 -0.7108 -0.4593 -0.4593 -0.4593 -0.4593 -0.3359 -0.3359 -0.3359 -0.3359 2.0806 2.0806 2.0806 2.0806 3.3319 3.3319 3.4227 3.4227 3.4289 3.4289 3.4825 3.4828 k = 0.1269 0.1297-0.0000 ( 14990 PWs) bands (ev): -10.6022 -10.6022 -10.6022 -10.6022 -10.5187 -10.5187 -10.5187 -10.5187 -1.2782 -1.2782 -1.2780 -1.2780 -1.1757 -1.1757 -1.1687 -1.1687 -0.9022 -0.9022 -0.9017 -0.9017 -0.7572 -0.7572 -0.7544 -0.7544 -0.5021 -0.5021 -0.5021 -0.5021 -0.3700 -0.3700 -0.3699 -0.3699 2.2061 2.2061 2.2061 2.2061 3.3534 3.3534 3.4024 3.4024 3.4227 3.4227 3.5730 3.5732 k = 0.1359 0.1389-0.0000 ( 14988 PWs) bands (ev): -10.5822 -10.5822 -10.5822 -10.5822 -10.5013 -10.5013 -10.5013 -10.5013 -1.3597 -1.3597 -1.3595 -1.3595 -1.2073 -1.2073 -1.2014 -1.2014 -0.9708 -0.9708 -0.9693 -0.9693 -0.7917 -0.7917 -0.7888 -0.7888 -0.5420 -0.5420 -0.5419 -0.5419 -0.4033 -0.4033 -0.4033 -0.4033 2.3337 2.3337 2.3337 2.3337 3.3470 3.3470 3.3590 3.3590 3.4174 3.4174 3.6903 3.6903 k = 0.1450 0.1482-0.0000 ( 14968 PWs) bands (ev): -10.5621 -10.5621 -10.5621 -10.5621 -10.4839 -10.4839 -10.4839 -10.4839 -1.4421 -1.4421 -1.4420 -1.4420 -1.2580 -1.2580 -1.2538 -1.2538 -1.0170 -1.0170 -1.0140 -1.0140 -0.8201 -0.8201 -0.8171 -0.8171 -0.5790 -0.5790 -0.5789 -0.5789 -0.4358 -0.4358 -0.4358 -0.4358 2.4621 2.4621 2.4621 2.4621 3.3110 3.3110 3.3146 3.3146 3.4424 3.4424 3.8096 3.8096 k = 0.1541 0.1574-0.0000 ( 14980 PWs) bands (ev): -10.5422 -10.5422 -10.5422 -10.5422 -10.4666 -10.4666 -10.4666 -10.4666 -1.5229 -1.5229 -1.5228 -1.5228 -1.3258 -1.3258 -1.3230 -1.3230 -1.0415 -1.0415 -1.0374 -1.0374 -0.8441 -0.8441 -0.8412 -0.8412 -0.6133 -0.6133 -0.6132 -0.6132 -0.4672 -0.4672 -0.4672 -0.4672 2.5888 2.5888 2.5888 2.5888 3.2719 3.2719 3.2732 3.2732 3.4753 3.4753 3.8392 3.8392 k = 0.1631 0.1667-0.0000 ( 14990 PWs) bands (ev): -10.5226 -10.5226 -10.5226 -10.5226 -10.4498 -10.4498 -10.4498 -10.4498 -1.6003 -1.6003 -1.6003 -1.6003 -1.4020 -1.4020 -1.4000 -1.4000 -1.0520 -1.0520 -1.0473 -1.0473 -0.8651 -0.8651 -0.8623 -0.8623 -0.6450 -0.6450 -0.6449 -0.6449 -0.4974 -0.4974 -0.4974 -0.4974 2.7086 2.7086 2.7086 2.7086 3.2401 3.2401 3.2404 3.2404 3.5111 3.5111 3.8682 3.8682 k = 0.1722 0.1760-0.0000 ( 14996 PWs) bands (ev): -10.5036 -10.5036 -10.5036 -10.5036 -10.4335 -10.4335 -10.4335 -10.4335 -1.6730 -1.6730 -1.6730 -1.6730 -1.4797 -1.4797 -1.4781 -1.4781 -1.0545 -1.0545 -1.0497 -1.0497 -0.8835 -0.8835 -0.8809 -0.8809 -0.6742 -0.6742 -0.6740 -0.6740 -0.5262 -0.5262 -0.5262 -0.5262 2.8094 2.8094 2.8094 2.8094 3.2286 3.2286 3.2288 3.2288 3.5486 3.5486 3.8974 3.8974 k = 0.1813 0.1852-0.0000 ( 14984 PWs) bands (ev): -10.4854 -10.4854 -10.4854 -10.4854 -10.4181 -10.4181 -10.4181 -10.4181 -1.7399 -1.7399 -1.7399 -1.7399 -1.5549 -1.5549 -1.5537 -1.5537 -1.0523 -1.0523 -1.0474 -1.0474 -0.9000 -0.9000 -0.8974 -0.8974 -0.7008 -0.7008 -0.7006 -0.7006 -0.5536 -0.5536 -0.5536 -0.5536 2.8697 2.8697 2.8698 2.8698 3.2595 3.2595 3.2597 3.2597 3.5872 3.5872 3.9263 3.9263 k = 0.1903 0.1945-0.0000 ( 14976 PWs) bands (ev): -10.4683 -10.4683 -10.4682 -10.4682 -10.4036 -10.4036 -10.4036 -10.4036 -1.8003 -1.8003 -1.8003 -1.8003 -1.6257 -1.6257 -1.6246 -1.6246 -1.0467 -1.0467 -1.0418 -1.0418 -0.9145 -0.9145 -0.9121 -0.9121 -0.7250 -0.7250 -0.7249 -0.7249 -0.5795 -0.5795 -0.5794 -0.5794 2.8792 2.8792 2.8795 2.8795 3.3433 3.3433 3.3435 3.3435 3.6262 3.6262 3.9542 3.9542 k = 0.1994 0.2038-0.0000 ( 14972 PWs) bands (ev): -10.4523 -10.4523 -10.4523 -10.4523 -10.3904 -10.3904 -10.3904 -10.3904 -1.8537 -1.8537 -1.8536 -1.8536 -1.6906 -1.6906 -1.6896 -1.6896 -1.0385 -1.0385 -1.0338 -1.0338 -0.9274 -0.9274 -0.9251 -0.9251 -0.7469 -0.7469 -0.7467 -0.7467 -0.6037 -0.6037 -0.6037 -0.6037 2.8551 2.8551 2.8556 2.8556 3.4629 3.4629 3.4631 3.4631 3.6650 3.6650 3.9801 3.9801 k = 0.2084 0.2130-0.0000 ( 14986 PWs) bands (ev): -10.4377 -10.4377 -10.4377 -10.4377 -10.3785 -10.3785 -10.3785 -10.3785 -1.8994 -1.8994 -1.8994 -1.8994 -1.7489 -1.7489 -1.7480 -1.7480 -1.0281 -1.0281 -1.0236 -1.0236 -0.9386 -0.9386 -0.9365 -0.9365 -0.7665 -0.7665 -0.7663 -0.7663 -0.6263 -0.6263 -0.6263 -0.6263 2.8152 2.8152 2.8158 2.8158 3.6006 3.6006 3.6008 3.6008 3.7028 3.7028 4.0028 4.0028 k = 0.2175 0.2223-0.0000 ( 14986 PWs) bands (ev): -10.4247 -10.4247 -10.4247 -10.4247 -10.3681 -10.3681 -10.3681 -10.3681 -1.9372 -1.9372 -1.9371 -1.9371 -1.7999 -1.7999 -1.7991 -1.7991 -1.0159 -1.0159 -1.0115 -1.0115 -0.9482 -0.9482 -0.9461 -0.9461 -0.7839 -0.7839 -0.7836 -0.7836 -0.6472 -0.6472 -0.6472 -0.6472 2.7681 2.7681 2.7688 2.7688 3.7377 3.7377 3.7477 3.7477 3.7484 3.7484 4.0206 4.0206 k = 0.2266 0.2315-0.0000 ( 14974 PWs) bands (ev): -10.4134 -10.4134 -10.4134 -10.4134 -10.3594 -10.3594 -10.3594 -10.3594 -1.9667 -1.9667 -1.9667 -1.9667 -1.8433 -1.8433 -1.8425 -1.8425 -1.0019 -1.0019 -0.9977 -0.9977 -0.9561 -0.9561 -0.9542 -0.9542 -0.7991 -0.7991 -0.7989 -0.7989 -0.6664 -0.6664 -0.6664 -0.6664 2.7176 2.7176 2.7184 2.7184 3.7695 3.7695 3.9004 3.9004 3.9007 3.9007 4.0312 4.0312 k = 0.2356 0.2408-0.0000 ( 14958 PWs) bands (ev): -10.4039 -10.4039 -10.4039 -10.4039 -10.3524 -10.3524 -10.3524 -10.3524 -1.9879 -1.9879 -1.9879 -1.9879 -1.8786 -1.8786 -1.8779 -1.8779 -0.9863 -0.9863 -0.9824 -0.9824 -0.9623 -0.9623 -0.9605 -0.9605 -0.8123 -0.8123 -0.8120 -0.8120 -0.6838 -0.6838 -0.6838 -0.6838 2.6655 2.6655 2.6663 2.6663 3.7946 3.7946 4.0312 4.0312 4.0571 4.0571 4.0573 4.0573 k = 0.2447 0.2501-0.0000 ( 14946 PWs) bands (ev): -10.3963 -10.3963 -10.3963 -10.3963 -10.3473 -10.3473 -10.3473 -10.3473 -2.0006 -2.0006 -2.0006 -2.0006 -1.9058 -1.9058 -1.9052 -1.9052 -0.9696 -0.9696 -0.9674 -0.9674 -0.9650 -0.9650 -0.9648 -0.9648 -0.8234 -0.8234 -0.8232 -0.8232 -0.6994 -0.6994 -0.6994 -0.6994 2.6128 2.6128 2.6138 2.6138 3.8104 3.8104 4.0188 4.0188 4.2159 4.2159 4.2160 4.2160 k = 0.2538 0.2593-0.0000 ( 14940 PWs) bands (ev): -10.3907 -10.3907 -10.3906 -10.3906 -10.3440 -10.3440 -10.3440 -10.3440 -2.0048 -2.0048 -2.0048 -2.0048 -1.9248 -1.9248 -1.9241 -1.9241 -0.9698 -0.9698 -0.9683 -0.9683 -0.9507 -0.9507 -0.9474 -0.9474 -0.8327 -0.8327 -0.8324 -0.8324 -0.7132 -0.7132 -0.7132 -0.7132 2.5602 2.5602 2.5612 2.5612 3.8130 3.8130 3.9894 3.9894 4.3765 4.3765 4.3766 4.3766 k = 0.2628 0.2686-0.0000 ( 14948 PWs) bands (ev): -10.3870 -10.3870 -10.3869 -10.3869 -10.3427 -10.3427 -10.3427 -10.3427 -2.0006 -2.0006 -2.0005 -2.0005 -1.9353 -1.9353 -1.9347 -1.9347 -0.9709 -0.9709 -0.9694 -0.9694 -0.9314 -0.9314 -0.9282 -0.9282 -0.8401 -0.8401 -0.8398 -0.8398 -0.7251 -0.7251 -0.7250 -0.7250 2.5081 2.5081 2.5091 2.5091 3.7985 3.7985 3.9413 3.9413 4.5378 4.5378 4.5383 4.5383 k = 0.2719 0.2778-0.0000 ( 14938 PWs) bands (ev): -10.3852 -10.3852 -10.3852 -10.3852 -10.3434 -10.3434 -10.3434 -10.3434 -1.9880 -1.9880 -1.9879 -1.9879 -1.9376 -1.9376 -1.9370 -1.9370 -0.9703 -0.9703 -0.9689 -0.9689 -0.9111 -0.9111 -0.9082 -0.9082 -0.8457 -0.8457 -0.8454 -0.8454 -0.7349 -0.7349 -0.7348 -0.7348 2.4567 2.4567 2.4577 2.4577 3.7636 3.7636 3.8744 3.8744 4.6967 4.6967 4.7001 4.7001 k = 0.2809 0.2871-0.0000 ( 14930 PWs) bands (ev): -10.3854 -10.3854 -10.3854 -10.3854 -10.3459 -10.3459 -10.3459 -10.3459 -1.9674 -1.9674 -1.9673 -1.9673 -1.9318 -1.9318 -1.9312 -1.9312 -0.9679 -0.9679 -0.9667 -0.9667 -0.8905 -0.8905 -0.8879 -0.8879 -0.8495 -0.8495 -0.8492 -0.8492 -0.7425 -0.7425 -0.7423 -0.7423 2.4063 2.4063 2.4073 2.4073 3.7075 3.7075 3.7907 3.7907 4.7920 4.7920 4.8589 4.8589 k = 0.2900 0.2964-0.0000 ( 14924 PWs) bands (ev): -10.3874 -10.3874 -10.3874 -10.3874 -10.3502 -10.3502 -10.3502 -10.3502 -1.9389 -1.9389 -1.9388 -1.9388 -1.9180 -1.9180 -1.9173 -1.9173 -0.9640 -0.9640 -0.9628 -0.9628 -0.8703 -0.8703 -0.8680 -0.8680 -0.8514 -0.8514 -0.8512 -0.8512 -0.7472 -0.7472 -0.7468 -0.7468 2.3571 2.3571 2.3581 2.3581 3.6323 3.6323 3.6937 3.6937 4.7968 4.7968 4.9683 4.9683 k = 0.2991 0.3056-0.0000 ( 14922 PWs) bands (ev): -10.3912 -10.3912 -10.3912 -10.3912 -10.3562 -10.3562 -10.3562 -10.3562 -1.9030 -1.9030 -1.9029 -1.9029 -1.8964 -1.8964 -1.8958 -1.8958 -0.9584 -0.9584 -0.9574 -0.9574 -0.8538 -0.8538 -0.8534 -0.8534 -0.8492 -0.8492 -0.8479 -0.8479 -0.7482 -0.7482 -0.7476 -0.7476 2.3092 2.3092 2.3103 2.3103 3.5416 3.5416 3.5868 3.5868 4.8117 4.8117 4.9925 4.9925 k = 0.3081 0.3149-0.0000 ( 14922 PWs) bands (ev): -10.3966 -10.3966 -10.3966 -10.3966 -10.3639 -10.3639 -10.3639 -10.3639 -1.8675 -1.8675 -1.8669 -1.8669 -1.8599 -1.8599 -1.8598 -1.8598 -0.9514 -0.9514 -0.9505 -0.9505 -0.8513 -0.8513 -0.8510 -0.8510 -0.8347 -0.8347 -0.8334 -0.8334 -0.7441 -0.7441 -0.7432 -0.7432 2.2627 2.2627 2.2638 2.2638 3.4397 3.4397 3.4734 3.4734 4.8386 4.8386 5.0167 5.0167 k = 0.3172 0.3242-0.0000 ( 14908 PWs) bands (ev): -10.4035 -10.4035 -10.4035 -10.4035 -10.3730 -10.3730 -10.3730 -10.3730 -1.8316 -1.8316 -1.8309 -1.8309 -1.8103 -1.8103 -1.8102 -1.8102 -0.9431 -0.9431 -0.9423 -0.9423 -0.8483 -0.8483 -0.8479 -0.8479 -0.8233 -0.8233 -0.8224 -0.8224 -0.7337 -0.7337 -0.7325 -0.7325 2.2178 2.2178 2.2190 2.2190 3.3305 3.3305 3.3559 3.3559 4.8748 4.8748 5.0460 5.0460 k = 0.3263 0.3334-0.0000 ( 14892 PWs) bands (ev): -10.4117 -10.4117 -10.4117 -10.4117 -10.3834 -10.3834 -10.3834 -10.3834 -1.7891 -1.7891 -1.7885 -1.7885 -1.7547 -1.7547 -1.7546 -1.7546 -0.9337 -0.9337 -0.9330 -0.9330 -0.8435 -0.8435 -0.8430 -0.8430 -0.8163 -0.8163 -0.8158 -0.8158 -0.7172 -0.7172 -0.7157 -0.7157 2.1747 2.1747 2.1758 2.1758 3.2169 3.2169 3.2365 3.2365 4.9174 4.9174 5.0793 5.0793 k = 0.3353 0.3427-0.0000 ( 14914 PWs) bands (ev): -10.4210 -10.4210 -10.4210 -10.4210 -10.3949 -10.3949 -10.3949 -10.3949 -1.7406 -1.7406 -1.7400 -1.7400 -1.6937 -1.6937 -1.6936 -1.6936 -0.9235 -0.9235 -0.9230 -0.9230 -0.8368 -0.8368 -0.8363 -0.8363 -0.8122 -0.8122 -0.8120 -0.8120 -0.6964 -0.6964 -0.6948 -0.6948 2.1332 2.1332 2.1344 2.1344 3.1012 3.1012 3.1166 3.1166 4.9642 4.9642 5.1154 5.1154 k = 0.3444 0.3519-0.0000 ( 14904 PWs) bands (ev): -10.4314 -10.4314 -10.4313 -10.4313 -10.4074 -10.4074 -10.4074 -10.4074 -1.6867 -1.6867 -1.6861 -1.6861 -1.6280 -1.6280 -1.6279 -1.6279 -0.9129 -0.9129 -0.9125 -0.9125 -0.8281 -0.8281 -0.8275 -0.8275 -0.8096 -0.8096 -0.8095 -0.8095 -0.6730 -0.6730 -0.6715 -0.6715 2.0937 2.0937 2.0949 2.0949 2.9852 2.9852 2.9975 2.9975 5.0135 5.0135 5.1531 5.1531 k = 0.3535 0.3612-0.0000 ( 14908 PWs) bands (ev): -10.4424 -10.4424 -10.4424 -10.4424 -10.4205 -10.4205 -10.4205 -10.4205 -1.6280 -1.6280 -1.6274 -1.6274 -1.5583 -1.5583 -1.5582 -1.5582 -0.9022 -0.9022 -0.9018 -0.9018 -0.8171 -0.8171 -0.8164 -0.8164 -0.8074 -0.8074 -0.8074 -0.8074 -0.6485 -0.6485 -0.6471 -0.6471 2.0560 2.0560 2.0572 2.0572 2.8701 2.8701 2.8801 2.8801 5.0639 5.0639 5.1917 5.1917 k = 0.3625 0.3705-0.0000 ( 14918 PWs) bands (ev): -10.4541 -10.4541 -10.4541 -10.4541 -10.4342 -10.4342 -10.4342 -10.4342 -1.5653 -1.5653 -1.5646 -1.5646 -1.4856 -1.4856 -1.4855 -1.4855 -0.8916 -0.8916 -0.8914 -0.8914 -0.8053 -0.8053 -0.8052 -0.8052 -0.8038 -0.8038 -0.8031 -0.8031 -0.6237 -0.6237 -0.6223 -0.6223 2.0203 2.0203 2.0215 2.0215 2.7571 2.7571 2.7653 2.7653 5.1144 5.1144 5.2305 5.2305 k = 0.3716 0.3797-0.0000 ( 14926 PWs) bands (ev): -10.4661 -10.4661 -10.4661 -10.4661 -10.4482 -10.4482 -10.4482 -10.4482 -1.4992 -1.4992 -1.4985 -1.4985 -1.4107 -1.4107 -1.4105 -1.4105 -0.8814 -0.8814 -0.8813 -0.8813 -0.8026 -0.8026 -0.8025 -0.8025 -0.7883 -0.7883 -0.7876 -0.7876 -0.5992 -0.5992 -0.5979 -0.5979 1.9867 1.9867 1.9879 1.9879 2.6468 2.6468 2.6538 2.6538 5.1641 5.1641 5.2687 5.2687 k = 0.3806 0.3890-0.0000 ( 14912 PWs) bands (ev): -10.4782 -10.4782 -10.4782 -10.4782 -10.4623 -10.4623 -10.4623 -10.4623 -1.4306 -1.4306 -1.4299 -1.4299 -1.3346 -1.3346 -1.3344 -1.3344 -0.8715 -0.8715 -0.8715 -0.8715 -0.7993 -0.7993 -0.7991 -0.7991 -0.7708 -0.7708 -0.7700 -0.7700 -0.5755 -0.5755 -0.5743 -0.5743 1.9551 1.9551 1.9564 1.9564 2.5402 2.5402 2.5461 2.5461 5.2123 5.2123 5.3058 5.3058 k = 0.3897 0.3982-0.0000 ( 14896 PWs) bands (ev): -10.4904 -10.4904 -10.4904 -10.4904 -10.4763 -10.4763 -10.4763 -10.4763 -1.3604 -1.3604 -1.3597 -1.3597 -1.2585 -1.2585 -1.2583 -1.2583 -0.8620 -0.8620 -0.8620 -0.8620 -0.7951 -0.7951 -0.7950 -0.7950 -0.7515 -0.7515 -0.7508 -0.7508 -0.5531 -0.5531 -0.5521 -0.5521 1.9257 1.9257 1.9270 1.9270 2.4378 2.4378 2.4429 2.4429 5.2584 5.2584 5.3408 5.3408 k = 0.3988 0.4075-0.0000 ( 14916 PWs) bands (ev): -10.5023 -10.5023 -10.5023 -10.5023 -10.4900 -10.4900 -10.4900 -10.4900 -1.2897 -1.2897 -1.2890 -1.2890 -1.1837 -1.1837 -1.1836 -1.1836 -0.8526 -0.8526 -0.8526 -0.8526 -0.7898 -0.7898 -0.7896 -0.7896 -0.7310 -0.7310 -0.7302 -0.7302 -0.5325 -0.5325 -0.5315 -0.5315 1.8985 1.8985 1.8998 1.8998 2.3402 2.3402 2.3448 2.3448 5.3020 5.3020 5.3699 5.3699 k = 0.4078 0.4168-0.0000 ( 14928 PWs) bands (ev): -10.5138 -10.5138 -10.5138 -10.5138 -10.5032 -10.5032 -10.5032 -10.5032 -1.2195 -1.2195 -1.2188 -1.2188 -1.1118 -1.1118 -1.1116 -1.1116 -0.8430 -0.8430 -0.8429 -0.8429 -0.7829 -0.7829 -0.7827 -0.7827 -0.7096 -0.7096 -0.7088 -0.7088 -0.5141 -0.5141 -0.5132 -0.5132 1.8735 1.8735 1.8748 1.8748 2.2481 2.2481 2.2522 2.2522 5.3426 5.3426 5.3843 5.3843 k = 0.4169 0.4260-0.0000 ( 14916 PWs) bands (ev): -10.5248 -10.5248 -10.5248 -10.5248 -10.5158 -10.5158 -10.5157 -10.5157 -1.1512 -1.1512 -1.1505 -1.1505 -1.0447 -1.0447 -1.0445 -1.0445 -0.8327 -0.8327 -0.8326 -0.8326 -0.7736 -0.7736 -0.7734 -0.7734 -0.6877 -0.6877 -0.6870 -0.6870 -0.4983 -0.4983 -0.4975 -0.4975 1.8507 1.8507 1.8520 1.8520 2.1620 2.1620 2.1657 2.1657 5.3797 5.3797 5.3911 5.3911 k = 0.4260 0.4353-0.0000 ( 14932 PWs) bands (ev): -10.5351 -10.5351 -10.5351 -10.5351 -10.5275 -10.5275 -10.5275 -10.5275 -1.0863 -1.0863 -1.0857 -1.0857 -0.9849 -0.9849 -0.9848 -0.9848 -0.8208 -0.8208 -0.8206 -0.8206 -0.7609 -0.7609 -0.7607 -0.7607 -0.6660 -0.6660 -0.6653 -0.6653 -0.4855 -0.4855 -0.4848 -0.4848 1.8302 1.8302 1.8315 1.8315 2.0825 2.0825 2.0859 2.0859 5.3979 5.3979 5.4128 5.4128 k = 0.4350 0.4445-0.0000 ( 14928 PWs) bands (ev): -10.5446 -10.5446 -10.5446 -10.5446 -10.5382 -10.5382 -10.5382 -10.5382 -1.0270 -1.0270 -1.0264 -1.0264 -0.9356 -0.9356 -0.9354 -0.9354 -0.8057 -0.8057 -0.8055 -0.8055 -0.7431 -0.7431 -0.7429 -0.7429 -0.6448 -0.6448 -0.6441 -0.6441 -0.4763 -0.4763 -0.4755 -0.4755 1.8121 1.8121 1.8134 1.8134 2.0102 2.0102 2.0133 2.0133 5.4069 5.4069 5.4403 5.4403 k = 0.4441 0.4538-0.0000 ( 14922 PWs) bands (ev): -10.5530 -10.5530 -10.5530 -10.5530 -10.5478 -10.5478 -10.5478 -10.5478 -0.9756 -0.9756 -0.9751 -0.9751 -0.8993 -0.8993 -0.8992 -0.8992 -0.7857 -0.7857 -0.7854 -0.7854 -0.7192 -0.7192 -0.7190 -0.7190 -0.6246 -0.6246 -0.6239 -0.6239 -0.4708 -0.4708 -0.4701 -0.4701 1.7962 1.7962 1.7975 1.7975 1.9457 1.9457 1.9487 1.9487 5.4187 5.4187 5.4597 5.4597 k = 0.4531 0.4631-0.0000 ( 14936 PWs) bands (ev): -10.5604 -10.5604 -10.5604 -10.5604 -10.5562 -10.5562 -10.5562 -10.5562 -0.9347 -0.9347 -0.9344 -0.9344 -0.8757 -0.8757 -0.8756 -0.8756 -0.7594 -0.7594 -0.7590 -0.7590 -0.6904 -0.6904 -0.6902 -0.6902 -0.6058 -0.6058 -0.6052 -0.6052 -0.4695 -0.4695 -0.4689 -0.4689 1.7827 1.7827 1.7840 1.7840 1.8896 1.8896 1.8924 1.8924 5.4334 5.4334 5.4735 5.4735 k = 0.4622 0.4723-0.0000 ( 14934 PWs) bands (ev): -10.5667 -10.5667 -10.5667 -10.5667 -10.5633 -10.5633 -10.5633 -10.5633 -0.9053 -0.9053 -0.9050 -0.9050 -0.8613 -0.8613 -0.8612 -0.8612 -0.7280 -0.7280 -0.7276 -0.7276 -0.6603 -0.6603 -0.6601 -0.6601 -0.5887 -0.5887 -0.5882 -0.5882 -0.4725 -0.4725 -0.4719 -0.4719 1.7715 1.7715 1.7728 1.7728 1.8424 1.8424 1.8451 1.8451 5.4507 5.4507 5.4872 5.4872 k = 0.4713 0.4816-0.0000 ( 14934 PWs) bands (ev): -10.5716 -10.5716 -10.5716 -10.5716 -10.5690 -10.5690 -10.5689 -10.5689 -0.8858 -0.8858 -0.8856 -0.8856 -0.8526 -0.8526 -0.8524 -0.8524 -0.6947 -0.6947 -0.6944 -0.6944 -0.6329 -0.6329 -0.6327 -0.6327 -0.5735 -0.5735 -0.5731 -0.5731 -0.4799 -0.4799 -0.4793 -0.4793 1.7628 1.7628 1.7641 1.7641 1.8047 1.8047 1.8073 1.8073 5.4692 5.4692 5.5020 5.5020 k = 0.4803 0.4909-0.0000 ( 14932 PWs) bands (ev): -10.5753 -10.5753 -10.5753 -10.5753 -10.5731 -10.5731 -10.5731 -10.5731 -0.8737 -0.8737 -0.8736 -0.8736 -0.8473 -0.8473 -0.8472 -0.8472 -0.6642 -0.6642 -0.6638 -0.6638 -0.6112 -0.6112 -0.6110 -0.6110 -0.5597 -0.5597 -0.5593 -0.5593 -0.4912 -0.4912 -0.4906 -0.4906 1.7564 1.7564 1.7577 1.7577 1.7769 1.7769 1.7794 1.7794 5.4868 5.4868 5.5163 5.5163 k = 0.4894 0.5001-0.0000 ( 14928 PWs) bands (ev): -10.5776 -10.5776 -10.5776 -10.5776 -10.5757 -10.5757 -10.5757 -10.5757 -0.8671 -0.8671 -0.8669 -0.8669 -0.8444 -0.8444 -0.8443 -0.8443 -0.6413 -0.6413 -0.6411 -0.6411 -0.5969 -0.5969 -0.5968 -0.5968 -0.5464 -0.5464 -0.5462 -0.5462 -0.5054 -0.5054 -0.5047 -0.5047 1.7524 1.7524 1.7537 1.7537 1.7593 1.7593 1.7617 1.7617 5.5003 5.5003 5.5277 5.5277 k = 0.4894 0.5001-0.0000 ( 14928 PWs) bands (ev): -10.5776 -10.5776 -10.5776 -10.5776 -10.5757 -10.5757 -10.5757 -10.5757 -0.8671 -0.8671 -0.8669 -0.8669 -0.8444 -0.8444 -0.8443 -0.8443 -0.6413 -0.6413 -0.6411 -0.6411 -0.5969 -0.5969 -0.5968 -0.5968 -0.5464 -0.5464 -0.5462 -0.5462 -0.5054 -0.5054 -0.5047 -0.5047 1.7524 1.7524 1.7537 1.7537 1.7593 1.7593 1.7617 1.7617 5.5003 5.5003 5.5277 5.5277 k = 0.4765 0.5001-0.0000 ( 14927 PWs) bands (ev): -10.5758 -10.5758 -10.5758 -10.5758 -10.5738 -10.5738 -10.5738 -10.5738 -0.8732 -0.8732 -0.8731 -0.8731 -0.8486 -0.8486 -0.8485 -0.8485 -0.6570 -0.6570 -0.6567 -0.6567 -0.6079 -0.6079 -0.6077 -0.6077 -0.5540 -0.5540 -0.5537 -0.5537 -0.4959 -0.4959 -0.4952 -0.4952 1.7574 1.7574 1.7587 1.7587 1.7710 1.7710 1.7735 1.7735 5.4903 5.4903 5.5189 5.5189 k = 0.4636 0.5001-0.0000 ( 14932 PWs) bands (ev): -10.5727 -10.5727 -10.5727 -10.5727 -10.5705 -10.5705 -10.5705 -10.5705 -0.8855 -0.8855 -0.8853 -0.8853 -0.8585 -0.8585 -0.8584 -0.8584 -0.6790 -0.6790 -0.6786 -0.6786 -0.6266 -0.6266 -0.6264 -0.6264 -0.5586 -0.5586 -0.5582 -0.5582 -0.4886 -0.4886 -0.4880 -0.4880 1.7686 1.7686 1.7700 1.7700 1.7889 1.7889 1.7914 1.7914 5.4758 5.4758 5.5056 5.5056 k = 0.4508 0.5001-0.0000 ( 14934 PWs) bands (ev): -10.5683 -10.5683 -10.5683 -10.5683 -10.5660 -10.5660 -10.5660 -10.5660 -0.9040 -0.9040 -0.9038 -0.9038 -0.8738 -0.8738 -0.8737 -0.8737 -0.7061 -0.7061 -0.7057 -0.7057 -0.6511 -0.6511 -0.6509 -0.6509 -0.5619 -0.5619 -0.5615 -0.5615 -0.4844 -0.4844 -0.4838 -0.4838 1.7860 1.7860 1.7873 1.7873 1.8129 1.8129 1.8154 1.8154 5.4586 5.4586 5.4890 5.4890 k = 0.4379 0.5001-0.0000 ( 14940 PWs) bands (ev): -10.5627 -10.5627 -10.5627 -10.5627 -10.5602 -10.5602 -10.5602 -10.5602 -0.9286 -0.9286 -0.9284 -0.9284 -0.8946 -0.8946 -0.8944 -0.8944 -0.7370 -0.7370 -0.7366 -0.7366 -0.6800 -0.6800 -0.6798 -0.6798 -0.5655 -0.5655 -0.5651 -0.5651 -0.4835 -0.4835 -0.4829 -0.4829 1.8093 1.8093 1.8107 1.8107 1.8426 1.8426 1.8452 1.8452 5.4403 5.4403 5.4702 5.4702 k = 0.4250 0.5001-0.0000 ( 14931 PWs) bands (ev): -10.5558 -10.5558 -10.5558 -10.5558 -10.5532 -10.5532 -10.5532 -10.5532 -0.9591 -0.9591 -0.9589 -0.9589 -0.9209 -0.9209 -0.9208 -0.9208 -0.7709 -0.7709 -0.7705 -0.7705 -0.7123 -0.7123 -0.7121 -0.7121 -0.5702 -0.5702 -0.5698 -0.5698 -0.4859 -0.4859 -0.4853 -0.4853 1.8384 1.8384 1.8399 1.8399 1.8779 1.8779 1.8806 1.8806 5.4219 5.4219 5.4504 5.4504 k = 0.4121 0.5001-0.0000 ( 14928 PWs) bands (ev): -10.5477 -10.5477 -10.5477 -10.5477 -10.5449 -10.5449 -10.5449 -10.5449 -0.9951 -0.9951 -0.9949 -0.9949 -0.9531 -0.9531 -0.9529 -0.9529 -0.8066 -0.8066 -0.8062 -0.8062 -0.7474 -0.7474 -0.7471 -0.7471 -0.5766 -0.5766 -0.5762 -0.5762 -0.4914 -0.4914 -0.4909 -0.4909 1.8731 1.8731 1.8747 1.8747 1.9186 1.9186 1.9213 1.9213 5.4042 5.4042 5.4306 5.4306 k = 0.3992 0.5001-0.0000 ( 14923 PWs) bands (ev): -10.5384 -10.5384 -10.5384 -10.5384 -10.5355 -10.5355 -10.5355 -10.5355 -1.0364 -1.0364 -1.0362 -1.0362 -0.9914 -0.9914 -0.9912 -0.9912 -0.8433 -0.8433 -0.8428 -0.8428 -0.7845 -0.7845 -0.7842 -0.7842 -0.5849 -0.5849 -0.5845 -0.5845 -0.5001 -0.5001 -0.4995 -0.4995 1.9132 1.9132 1.9150 1.9150 1.9644 1.9644 1.9673 1.9673 5.3875 5.3875 5.4118 5.4118 k = 0.3864 0.5001-0.0000 ( 14923 PWs) bands (ev): -10.5280 -10.5280 -10.5280 -10.5280 -10.5250 -10.5250 -10.5250 -10.5250 -1.0825 -1.0825 -1.0823 -1.0823 -1.0357 -1.0357 -1.0356 -1.0356 -0.8802 -0.8802 -0.8797 -0.8797 -0.8232 -0.8232 -0.8229 -0.8229 -0.5952 -0.5952 -0.5948 -0.5948 -0.5117 -0.5117 -0.5111 -0.5111 1.9585 1.9585 1.9604 1.9604 2.0151 2.0151 2.0181 2.0181 5.3722 5.3722 5.3946 5.3946 k = 0.3735 0.5001-0.0000 ( 14925 PWs) bands (ev): -10.5165 -10.5165 -10.5165 -10.5165 -10.5135 -10.5135 -10.5135 -10.5135 -1.1331 -1.1331 -1.1329 -1.1329 -1.0859 -1.0859 -1.0856 -1.0856 -0.9170 -0.9170 -0.9166 -0.9166 -0.8630 -0.8630 -0.8627 -0.8627 -0.6075 -0.6075 -0.6071 -0.6071 -0.5259 -0.5259 -0.5253 -0.5253 2.0086 2.0086 2.0107 2.0107 2.0703 2.0703 2.0735 2.0735 5.3582 5.3582 5.3792 5.3792 k = 0.3606 0.5001-0.0000 ( 14923 PWs) bands (ev): -10.5041 -10.5041 -10.5041 -10.5041 -10.5009 -10.5009 -10.5009 -10.5009 -1.1877 -1.1877 -1.1875 -1.1875 -1.1411 -1.1411 -1.1408 -1.1408 -0.9538 -0.9538 -0.9534 -0.9534 -0.9035 -0.9035 -0.9031 -0.9031 -0.6218 -0.6218 -0.6214 -0.6214 -0.5426 -0.5426 -0.5420 -0.5420 2.0633 2.0633 2.0656 2.0656 2.1299 2.1299 2.1332 2.1332 5.3453 5.3453 5.3656 5.3656 k = 0.3477 0.5001-0.0000 ( 14915 PWs) bands (ev): -10.4907 -10.4907 -10.4907 -10.4907 -10.4875 -10.4875 -10.4875 -10.4875 -1.2458 -1.2458 -1.2456 -1.2456 -1.2006 -1.2006 -1.2003 -1.2003 -0.9906 -0.9906 -0.9901 -0.9901 -0.9443 -0.9443 -0.9439 -0.9439 -0.6379 -0.6379 -0.6375 -0.6375 -0.5615 -0.5615 -0.5609 -0.5609 2.1224 2.1224 2.1249 2.1249 2.1936 2.1936 2.1971 2.1971 5.3335 5.3335 5.3538 5.3538 k = 0.3348 0.5001-0.0000 ( 14923 PWs) bands (ev): -10.4765 -10.4765 -10.4765 -10.4765 -10.4732 -10.4732 -10.4732 -10.4732 -1.3070 -1.3070 -1.3067 -1.3067 -1.2636 -1.2636 -1.2634 -1.2634 -1.0274 -1.0274 -1.0269 -1.0269 -0.9851 -0.9851 -0.9847 -0.9847 -0.6558 -0.6558 -0.6553 -0.6553 -0.5823 -0.5823 -0.5817 -0.5817 2.1857 2.1857 2.1885 2.1885 2.2611 2.2611 2.2649 2.2649 5.3223 5.3223 5.3434 5.3434 k = 0.3220 0.5001-0.0000 ( 14914 PWs) bands (ev): -10.4615 -10.4615 -10.4615 -10.4615 -10.4581 -10.4581 -10.4581 -10.4581 -1.3706 -1.3706 -1.3703 -1.3703 -1.3294 -1.3294 -1.3292 -1.3292 -1.0642 -1.0642 -1.0638 -1.0638 -1.0258 -1.0258 -1.0254 -1.0254 -0.6752 -0.6752 -0.6747 -0.6747 -0.6049 -0.6049 -0.6042 -0.6042 2.2528 2.2528 2.2559 2.2559 2.3322 2.3322 2.3363 2.3363 5.3116 5.3116 5.3340 5.3340 k = 0.3091 0.5001-0.0000 ( 14925 PWs) bands (ev): -10.4459 -10.4459 -10.4459 -10.4459 -10.4424 -10.4424 -10.4424 -10.4424 -1.4361 -1.4361 -1.4359 -1.4359 -1.3973 -1.3973 -1.3970 -1.3970 -1.1011 -1.1011 -1.1007 -1.1007 -1.0662 -1.0662 -1.0658 -1.0658 -0.6960 -0.6960 -0.6955 -0.6955 -0.6289 -0.6289 -0.6282 -0.6282 2.3236 2.3236 2.3270 2.3270 2.4066 2.4066 2.4111 2.4111 5.3008 5.3008 5.3254 5.3254 k = 0.2962 0.5001-0.0000 ( 14925 PWs) bands (ev): -10.4296 -10.4296 -10.4296 -10.4296 -10.4261 -10.4261 -10.4261 -10.4261 -1.5031 -1.5031 -1.5028 -1.5028 -1.4666 -1.4666 -1.4664 -1.4664 -1.1379 -1.1379 -1.1375 -1.1375 -1.1061 -1.1061 -1.1057 -1.1057 -0.7180 -0.7180 -0.7174 -0.7174 -0.6541 -0.6541 -0.6533 -0.6533 2.3977 2.3977 2.4017 2.4017 2.4842 2.4842 2.4891 2.4891 5.2897 5.2897 5.3169 5.3169 k = 0.2833 0.5001-0.0000 ( 14933 PWs) bands (ev): -10.4129 -10.4129 -10.4129 -10.4129 -10.4094 -10.4094 -10.4094 -10.4094 -1.5710 -1.5710 -1.5707 -1.5707 -1.5368 -1.5368 -1.5365 -1.5365 -1.1745 -1.1745 -1.1741 -1.1741 -1.1454 -1.1454 -1.1450 -1.1450 -0.7410 -0.7410 -0.7404 -0.7404 -0.6802 -0.6802 -0.6795 -0.6795 2.4751 2.4751 2.4796 2.4796 2.5647 2.5647 2.5701 2.5701 5.2781 5.2781 5.3081 5.3081 k = 0.2705 0.5001-0.0000 ( 14937 PWs) bands (ev): -10.3957 -10.3957 -10.3957 -10.3957 -10.3922 -10.3922 -10.3922 -10.3922 -1.6392 -1.6392 -1.6389 -1.6389 -1.6073 -1.6073 -1.6071 -1.6071 -1.2109 -1.2109 -1.2105 -1.2105 -1.1841 -1.1841 -1.1837 -1.1837 -0.7647 -0.7647 -0.7640 -0.7640 -0.7071 -0.7071 -0.7063 -0.7063 2.5555 2.5555 2.5605 2.5605 2.6478 2.6478 2.6539 2.6539 5.2658 5.2658 5.2987 5.2987 k = 0.2576 0.5001-0.0000 ( 14937 PWs) bands (ev): -10.3783 -10.3783 -10.3783 -10.3783 -10.3748 -10.3748 -10.3748 -10.3748 -1.7073 -1.7073 -1.7070 -1.7070 -1.6777 -1.6777 -1.6774 -1.6774 -1.2468 -1.2468 -1.2464 -1.2464 -1.2220 -1.2220 -1.2216 -1.2216 -0.7889 -0.7889 -0.7882 -0.7882 -0.7344 -0.7344 -0.7336 -0.7336 2.6386 2.6386 2.6443 2.6443 2.7334 2.7334 2.7403 2.7403 5.2527 5.2527 5.2883 5.2883 k = 0.2447 0.5001-0.0000 ( 14934 PWs) bands (ev): -10.3607 -10.3607 -10.3607 -10.3607 -10.3572 -10.3572 -10.3572 -10.3572 -1.7749 -1.7749 -1.7746 -1.7746 -1.7473 -1.7473 -1.7471 -1.7471 -1.2821 -1.2821 -1.2817 -1.2817 -1.2591 -1.2591 -1.2587 -1.2587 -0.8134 -0.8134 -0.8127 -0.8127 -0.7620 -0.7620 -0.7612 -0.7612 2.7242 2.7242 2.7307 2.7307 2.8213 2.8213 2.8290 2.8290 5.2388 5.2388 5.2768 5.2768 k = 0.2318 0.5001-0.0000 ( 14940 PWs) bands (ev): -10.3430 -10.3430 -10.3430 -10.3430 -10.3396 -10.3396 -10.3396 -10.3396 -1.8415 -1.8415 -1.8412 -1.8412 -1.8159 -1.8159 -1.8157 -1.8157 -1.3166 -1.3166 -1.3163 -1.3163 -1.2951 -1.2951 -1.2948 -1.2948 -0.8380 -0.8380 -0.8372 -0.8372 -0.7896 -0.7896 -0.7887 -0.7887 2.8121 2.8121 2.8195 2.8195 2.9111 2.9111 2.9198 2.9198 5.2244 5.2244 5.2642 5.2642 k = 0.2189 0.5001-0.0000 ( 14942 PWs) bands (ev): -10.3254 -10.3254 -10.3254 -10.3254 -10.3220 -10.3220 -10.3220 -10.3220 -1.9066 -1.9066 -1.9064 -1.9064 -1.8830 -1.8830 -1.8828 -1.8828 -1.3503 -1.3503 -1.3500 -1.3500 -1.3302 -1.3302 -1.3298 -1.3298 -0.8625 -0.8625 -0.8616 -0.8616 -0.8170 -0.8170 -0.8161 -0.8161 2.9020 2.9020 2.9105 2.9105 3.0026 3.0026 3.0125 3.0125 5.2095 5.2095 5.2507 5.2507 k = 0.2061 0.5001-0.0000 ( 14952 PWs) bands (ev): -10.3079 -10.3079 -10.3079 -10.3079 -10.3047 -10.3047 -10.3046 -10.3046 -1.9700 -1.9700 -1.9697 -1.9697 -1.9483 -1.9483 -1.9480 -1.9480 -1.3829 -1.3829 -1.3826 -1.3826 -1.3640 -1.3640 -1.3637 -1.3637 -0.8866 -0.8866 -0.8857 -0.8857 -0.8441 -0.8441 -0.8431 -0.8431 2.9937 2.9937 3.0034 3.0034 3.0955 3.0955 3.1068 3.1068 5.1946 5.1946 5.2367 5.2367 k = 0.1932 0.5001-0.0000 ( 14955 PWs) bands (ev): -10.2908 -10.2908 -10.2908 -10.2908 -10.2876 -10.2876 -10.2876 -10.2876 -2.0312 -2.0312 -2.0310 -2.0310 -2.0113 -2.0113 -2.0110 -2.0110 -1.4143 -1.4143 -1.4141 -1.4141 -1.3967 -1.3967 -1.3964 -1.3964 -0.9101 -0.9101 -0.9092 -0.9092 -0.8705 -0.8705 -0.8694 -0.8694 3.0867 3.0867 3.0980 3.0980 3.1894 3.1894 3.2025 3.2025 5.1799 5.1799 5.2226 5.2226 k = 0.1803 0.5001-0.0000 ( 14963 PWs) bands (ev): -10.2740 -10.2740 -10.2740 -10.2740 -10.2709 -10.2709 -10.2709 -10.2709 -2.0900 -2.0900 -2.0897 -2.0897 -2.0717 -2.0717 -2.0715 -2.0715 -1.4445 -1.4445 -1.4443 -1.4443 -1.4279 -1.4279 -1.4276 -1.4276 -0.9329 -0.9329 -0.9319 -0.9319 -0.8961 -0.8961 -0.8950 -0.8950 3.1808 3.1808 3.1938 3.1938 3.2840 3.2840 3.2992 3.2992 5.1659 5.1659 5.2090 5.2090 k = 0.1674 0.5001-0.0000 ( 14966 PWs) bands (ev): -10.2578 -10.2578 -10.2578 -10.2578 -10.2548 -10.2548 -10.2548 -10.2548 -2.1460 -2.1460 -2.1457 -2.1457 -2.1293 -2.1293 -2.1290 -2.1290 -1.4732 -1.4732 -1.4730 -1.4730 -1.4577 -1.4577 -1.4575 -1.4575 -0.9548 -0.9548 -0.9538 -0.9538 -0.9208 -0.9208 -0.9197 -0.9197 3.2755 3.2755 3.2906 3.2906 3.3787 3.3787 3.3964 3.3964 5.1531 5.1531 5.1965 5.1965 k = 0.1545 0.5001-0.0000 ( 14952 PWs) bands (ev): -10.2422 -10.2422 -10.2422 -10.2422 -10.2394 -10.2394 -10.2394 -10.2394 -2.1989 -2.1989 -2.1986 -2.1986 -2.1837 -2.1837 -2.1835 -2.1835 -1.5003 -1.5003 -1.5001 -1.5001 -1.4859 -1.4859 -1.4857 -1.4857 -0.9756 -0.9756 -0.9746 -0.9746 -0.9443 -0.9443 -0.9432 -0.9432 3.3703 3.3703 3.3880 3.3880 3.4731 3.4731 3.4938 3.4938 5.1419 5.1419 5.1857 5.1857 k = 0.1417 0.5001-0.0000 ( 14939 PWs) bands (ev): -10.2273 -10.2273 -10.2273 -10.2273 -10.2247 -10.2247 -10.2247 -10.2247 -2.2485 -2.2485 -2.2482 -2.2482 -2.2348 -2.2348 -2.2345 -2.2345 -1.5257 -1.5257 -1.5256 -1.5256 -1.5124 -1.5124 -1.5122 -1.5122 -0.9952 -0.9952 -0.9941 -0.9941 -0.9666 -0.9666 -0.9654 -0.9654 3.4646 3.4646 3.4853 3.4853 3.5665 3.5665 3.5907 3.5907 5.1328 5.1328 5.1773 5.1773 k = 0.1288 0.5001-0.0000 ( 14945 PWs) bands (ev): -10.2133 -10.2133 -10.2133 -10.2133 -10.2109 -10.2109 -10.2108 -10.2108 -2.2945 -2.2945 -2.2942 -2.2942 -2.2822 -2.2822 -2.2820 -2.2820 -1.5494 -1.5494 -1.5492 -1.5492 -1.5371 -1.5371 -1.5369 -1.5369 -1.0134 -1.0134 -1.0123 -1.0123 -0.9875 -0.9875 -0.9863 -0.9863 3.5578 3.5578 3.5819 3.5819 3.6581 3.6581 3.6864 3.6864 5.1265 5.1265 5.1720 5.1720 k = 0.1159 0.5001-0.0000 ( 14947 PWs) bands (ev): -10.2003 -10.2003 -10.2003 -10.2003 -10.1980 -10.1980 -10.1980 -10.1980 -2.3367 -2.3367 -2.3364 -2.3364 -2.3258 -2.3258 -2.3255 -2.3255 -1.5711 -1.5711 -1.5709 -1.5709 -1.5599 -1.5599 -1.5598 -1.5598 -1.0301 -1.0301 -1.0289 -1.0289 -1.0068 -1.0068 -1.0056 -1.0056 3.6490 3.6490 3.6771 3.6771 3.7469 3.7469 3.7801 3.7801 5.1237 5.1237 5.1706 5.1706 k = 0.1030 0.5001-0.0000 ( 14956 PWs) bands (ev): -10.1883 -10.1883 -10.1883 -10.1883 -10.1863 -10.1863 -10.1863 -10.1863 -2.3749 -2.3749 -2.3746 -2.3746 -2.3653 -2.3653 -2.3651 -2.3651 -1.5907 -1.5907 -1.5906 -1.5906 -1.5807 -1.5807 -1.5806 -1.5806 -1.0452 -1.0452 -1.0440 -1.0440 -1.0246 -1.0246 -1.0233 -1.0233 3.7372 3.7372 3.7698 3.7698 3.8321 3.8321 3.8707 3.8707 5.1251 5.1251 5.1740 5.1740 k = 0.0902 0.5001-0.0000 ( 14952 PWs) bands (ev): -10.1775 -10.1775 -10.1775 -10.1775 -10.1757 -10.1757 -10.1757 -10.1757 -2.4089 -2.4089 -2.4087 -2.4087 -2.4007 -2.4007 -2.4004 -2.4004 -1.6082 -1.6082 -1.6082 -1.6082 -1.5994 -1.5994 -1.5993 -1.5993 -1.0586 -1.0586 -1.0574 -1.0574 -1.0406 -1.0406 -1.0393 -1.0393 3.8212 3.8212 3.8585 3.8585 3.9125 3.9125 3.9568 3.9568 5.1316 5.1316 5.1830 5.1830 k = 0.0773 0.5001-0.0000 ( 14953 PWs) bands (ev): -10.1679 -10.1679 -10.1679 -10.1679 -10.1664 -10.1664 -10.1663 -10.1663 -2.4387 -2.4387 -2.4385 -2.4385 -2.4317 -2.4317 -2.4314 -2.4314 -1.6235 -1.6235 -1.6235 -1.6235 -1.6159 -1.6159 -1.6158 -1.6158 -1.0702 -1.0702 -1.0689 -1.0689 -1.0548 -1.0548 -1.0535 -1.0535 3.8996 3.8996 3.9412 3.9412 3.9873 3.9873 4.0369 4.0369 5.1443 5.1443 5.1985 5.1985 k = 0.0644 0.5001-0.0000 ( 14957 PWs) bands (ev): -10.1597 -10.1597 -10.1597 -10.1597 -10.1584 -10.1584 -10.1583 -10.1583 -2.4640 -2.4640 -2.4638 -2.4638 -2.4582 -2.4582 -2.4580 -2.4580 -1.6365 -1.6365 -1.6365 -1.6365 -1.6301 -1.6301 -1.6300 -1.6300 -1.0800 -1.0800 -1.0787 -1.0787 -1.0671 -1.0671 -1.0658 -1.0658 3.9709 3.9709 4.0148 4.0148 4.0563 4.0563 4.1089 4.1089 5.1639 5.1639 5.2212 5.2212 k = 0.0515 0.5001-0.0000 ( 14969 PWs) bands (ev): -10.1528 -10.1528 -10.1528 -10.1528 -10.1517 -10.1517 -10.1517 -10.1517 -2.4848 -2.4848 -2.4845 -2.4845 -2.4801 -2.4801 -2.4799 -2.4799 -1.6471 -1.6471 -1.6471 -1.6471 -1.6419 -1.6419 -1.6419 -1.6419 -1.0878 -1.0878 -1.0865 -1.0865 -1.0775 -1.0775 -1.0761 -1.0761 4.0335 4.0335 4.0755 4.0755 4.1199 4.1199 4.1706 4.1706 5.1915 5.1915 5.2514 5.2514 k = 0.0386 0.5001-0.0000 ( 14969 PWs) bands (ev): -10.1474 -10.1474 -10.1474 -10.1474 -10.1466 -10.1466 -10.1466 -10.1466 -2.5009 -2.5009 -2.5007 -2.5007 -2.4974 -2.4974 -2.4972 -2.4972 -1.6553 -1.6553 -1.6552 -1.6552 -1.6514 -1.6514 -1.6513 -1.6513 -1.0936 -1.0936 -1.0923 -1.0923 -1.0859 -1.0859 -1.0845 -1.0845 4.0857 4.0857 4.1209 4.1209 4.1766 4.1766 4.2198 4.2198 5.2274 5.2274 5.2879 5.2879 k = 0.0258 0.5001-0.0000 ( 14963 PWs) bands (ev): -10.1434 -10.1434 -10.1434 -10.1434 -10.1429 -10.1429 -10.1429 -10.1429 -2.5123 -2.5123 -2.5121 -2.5121 -2.5100 -2.5100 -2.5098 -2.5098 -1.6609 -1.6609 -1.6609 -1.6609 -1.6583 -1.6583 -1.6583 -1.6583 -1.0975 -1.0975 -1.0962 -1.0962 -1.0922 -1.0922 -1.0909 -1.0909 4.1262 4.1262 4.1512 4.1512 4.2229 4.2229 4.2541 4.2541 5.2715 5.2715 5.3266 5.3266 k = 0.0129 0.5001-0.0000 ( 14957 PWs) bands (ev): -10.1410 -10.1410 -10.1410 -10.1410 -10.1407 -10.1407 -10.1407 -10.1407 -2.5189 -2.5189 -2.5187 -2.5187 -2.5178 -2.5178 -2.5175 -2.5175 -1.6641 -1.6641 -1.6641 -1.6641 -1.6628 -1.6628 -1.6628 -1.6628 -1.0993 -1.0993 -1.0981 -1.0981 -1.0964 -1.0964 -1.0952 -1.0952 4.1536 4.1536 4.1665 4.1665 4.2556 4.2556 4.2720 4.2720 5.3221 5.3221 5.3603 5.3603 k = 0.0000 0.5001-0.0000 ( 14960 PWs) bands (ev): -10.1401 -10.1401 -10.1401 -10.1401 -10.1401 -10.1401 -10.1401 -10.1401 -2.5208 -2.5208 -2.5208 -2.5208 -2.5205 -2.5205 -2.5205 -2.5205 -1.6647 -1.6647 -1.6647 -1.6647 -1.6647 -1.6647 -1.6647 -1.6647 -1.0992 -1.0992 -1.0992 -1.0992 -1.0974 -1.0974 -1.0974 -1.0974 4.1672 4.1672 4.1672 4.1672 4.2724 4.2724 4.2724 4.2724 5.3723 5.3723 5.3725 5.3739 k = 0.0000 0.5001-0.0000 ( 14960 PWs) bands (ev): -10.1401 -10.1401 -10.1401 -10.1401 -10.1401 -10.1401 -10.1401 -10.1401 -2.5208 -2.5208 -2.5208 -2.5208 -2.5205 -2.5205 -2.5205 -2.5205 -1.6647 -1.6647 -1.6647 -1.6647 -1.6647 -1.6647 -1.6647 -1.6647 -1.0992 -1.0992 -1.0992 -1.0992 -1.0974 -1.0974 -1.0974 -1.0974 4.1672 4.1672 4.1672 4.1672 4.2724 4.2724 4.2724 4.2724 5.3723 5.3724 5.3730 5.3800 k = 0.0000 0.5001 0.0114 ( 14956 PWs) bands (ev): -10.1401 -10.1401 -10.1401 -10.1401 -10.1401 -10.1401 -10.1401 -10.1401 -2.5208 -2.5208 -2.5208 -2.5208 -2.5205 -2.5205 -2.5205 -2.5205 -1.6647 -1.6647 -1.6647 -1.6647 -1.6647 -1.6647 -1.6647 -1.6647 -1.0992 -1.0992 -1.0992 -1.0992 -1.0974 -1.0974 -1.0974 -1.0974 4.1675 4.1675 4.1675 4.1675 4.2721 4.2721 4.2721 4.2721 5.3722 5.3724 5.3727 5.3742 k = 0.0000 0.5001 0.0229 ( 14950 PWs) bands (ev): -10.1401 -10.1401 -10.1401 -10.1401 -10.1401 -10.1401 -10.1401 -10.1401 -2.5208 -2.5208 -2.5208 -2.5208 -2.5205 -2.5205 -2.5205 -2.5205 -1.6647 -1.6647 -1.6647 -1.6647 -1.6647 -1.6647 -1.6647 -1.6647 -1.0992 -1.0992 -1.0992 -1.0992 -1.0974 -1.0974 -1.0974 -1.0974 4.1682 4.1682 4.1682 4.1682 4.2712 4.2712 4.2712 4.2712 5.3722 5.3725 5.3726 5.3729 k = 0.0000 0.5001 0.0343 ( 14944 PWs) bands (ev): -10.1401 -10.1401 -10.1401 -10.1401 -10.1401 -10.1401 -10.1401 -10.1401 -2.5208 -2.5208 -2.5208 -2.5208 -2.5205 -2.5205 -2.5205 -2.5205 -1.6647 -1.6647 -1.6647 -1.6647 -1.6647 -1.6647 -1.6647 -1.6647 -1.0992 -1.0992 -1.0992 -1.0992 -1.0974 -1.0974 -1.0974 -1.0974 4.1693 4.1693 4.1694 4.1694 4.2699 4.2699 4.2699 4.2699 5.3722 5.3723 5.3727 5.3739 k = 0.0000 0.5001 0.0457 ( 14942 PWs) bands (ev): -10.1401 -10.1401 -10.1401 -10.1401 -10.1401 -10.1401 -10.1401 -10.1401 -2.5207 -2.5207 -2.5207 -2.5207 -2.5205 -2.5205 -2.5205 -2.5205 -1.6647 -1.6647 -1.6647 -1.6647 -1.6647 -1.6647 -1.6647 -1.6647 -1.0992 -1.0992 -1.0992 -1.0992 -1.0974 -1.0974 -1.0974 -1.0974 4.1707 4.1707 4.1707 4.1707 4.2682 4.2682 4.2683 4.2683 5.3721 5.3725 5.3728 5.3735 k = 0.0000 0.5001 0.0572 ( 14950 PWs) bands (ev): -10.1401 -10.1401 -10.1401 -10.1401 -10.1401 -10.1401 -10.1401 -10.1401 -2.5207 -2.5207 -2.5207 -2.5207 -2.5206 -2.5206 -2.5206 -2.5206 -1.6647 -1.6647 -1.6647 -1.6647 -1.6647 -1.6647 -1.6647 -1.6647 -1.0992 -1.0992 -1.0992 -1.0992 -1.0974 -1.0974 -1.0974 -1.0974 4.1721 4.1721 4.1722 4.1722 4.2666 4.2666 4.2666 4.2666 5.3721 5.3723 5.3729 5.3731 k = 0.0000 0.5001 0.0686 ( 14946 PWs) bands (ev): -10.1401 -10.1401 -10.1401 -10.1401 -10.1401 -10.1401 -10.1401 -10.1401 -2.5207 -2.5207 -2.5207 -2.5207 -2.5206 -2.5206 -2.5206 -2.5206 -1.6647 -1.6647 -1.6647 -1.6647 -1.6647 -1.6647 -1.6647 -1.6647 -1.0992 -1.0992 -1.0992 -1.0992 -1.0974 -1.0974 -1.0974 -1.0974 4.1734 4.1734 4.1734 4.1734 4.2651 4.2651 4.2652 4.2652 5.3722 5.3724 5.3731 5.3771 k = 0.0000 0.5001 0.0800 ( 14928 PWs) bands (ev): -10.1401 -10.1401 -10.1401 -10.1401 -10.1401 -10.1401 -10.1401 -10.1401 -2.5207 -2.5207 -2.5207 -2.5207 -2.5206 -2.5206 -2.5206 -2.5206 -1.6647 -1.6647 -1.6647 -1.6647 -1.6647 -1.6647 -1.6647 -1.6647 -1.0991 -1.0991 -1.0991 -1.0991 -1.0975 -1.0975 -1.0975 -1.0975 4.1742 4.1742 4.1743 4.1743 4.2641 4.2641 4.2642 4.2642 5.3720 5.3724 5.3733 5.3750 k = 0.0000 0.5001 0.0914 ( 14924 PWs) bands (ev): -10.1401 -10.1401 -10.1401 -10.1401 -10.1401 -10.1401 -10.1401 -10.1401 -2.5207 -2.5207 -2.5207 -2.5207 -2.5206 -2.5206 -2.5206 -2.5206 -1.6647 -1.6647 -1.6647 -1.6647 -1.6647 -1.6647 -1.6647 -1.6647 -1.0991 -1.0991 -1.0991 -1.0991 -1.0975 -1.0975 -1.0975 -1.0975 4.1745 4.1745 4.1746 4.1746 4.2638 4.2638 4.2638 4.2638 5.3720 5.3722 5.3730 5.3739 k = 0.0000 0.5001 0.0914 ( 14924 PWs) bands (ev): -10.1401 -10.1401 -10.1401 -10.1401 -10.1401 -10.1401 -10.1401 -10.1401 -2.5207 -2.5207 -2.5207 -2.5207 -2.5206 -2.5206 -2.5206 -2.5206 -1.6647 -1.6647 -1.6647 -1.6647 -1.6647 -1.6647 -1.6647 -1.6647 -1.0991 -1.0991 -1.0991 -1.0991 -1.0975 -1.0975 -1.0975 -1.0975 4.1745 4.1745 4.1746 4.1746 4.2638 4.2638 4.2638 4.2638 5.3720 5.3722 5.3731 5.3739 k = 0.0129 0.5001 0.0914 ( 14918 PWs) bands (ev): -10.1410 -10.1410 -10.1410 -10.1410 -10.1407 -10.1407 -10.1407 -10.1407 -2.5188 -2.5188 -2.5188 -2.5188 -2.5177 -2.5177 -2.5177 -2.5177 -1.6641 -1.6641 -1.6641 -1.6641 -1.6628 -1.6628 -1.6628 -1.6628 -1.0988 -1.0988 -1.0988 -1.0988 -1.0957 -1.0957 -1.0957 -1.0957 4.1666 4.1666 4.1666 4.1666 4.2560 4.2560 4.2561 4.2561 5.3386 5.3386 5.3393 5.3393 k = 0.0258 0.5001 0.0914 ( 14928 PWs) bands (ev): -10.1434 -10.1434 -10.1434 -10.1434 -10.1429 -10.1429 -10.1429 -10.1429 -2.5122 -2.5122 -2.5122 -2.5122 -2.5099 -2.5099 -2.5099 -2.5099 -1.6609 -1.6609 -1.6609 -1.6609 -1.6583 -1.6583 -1.6583 -1.6583 -1.0969 -1.0969 -1.0969 -1.0969 -1.0915 -1.0915 -1.0915 -1.0915 4.1430 4.1430 4.1430 4.1430 4.2331 4.2331 4.2331 4.2331 5.2949 5.2949 5.2956 5.2956 k = 0.0386 0.5001 0.0914 ( 14924 PWs) bands (ev): -10.1474 -10.1474 -10.1474 -10.1474 -10.1466 -10.1466 -10.1466 -10.1466 -2.5008 -2.5008 -2.5008 -2.5008 -2.4973 -2.4973 -2.4973 -2.4973 -1.6553 -1.6553 -1.6552 -1.6552 -1.6514 -1.6514 -1.6514 -1.6514 -1.0930 -1.0930 -1.0930 -1.0930 -1.0851 -1.0851 -1.0851 -1.0851 4.1047 4.1047 4.1047 4.1047 4.1960 4.1960 4.1960 4.1960 5.2549 5.2549 5.2556 5.2556 k = 0.0515 0.5001 0.0914 ( 14930 PWs) bands (ev): -10.1528 -10.1528 -10.1528 -10.1528 -10.1517 -10.1517 -10.1517 -10.1517 -2.4847 -2.4847 -2.4847 -2.4847 -2.4800 -2.4800 -2.4800 -2.4800 -1.6471 -1.6471 -1.6471 -1.6471 -1.6419 -1.6419 -1.6419 -1.6419 -1.0871 -1.0871 -1.0871 -1.0871 -1.0768 -1.0768 -1.0768 -1.0768 4.0530 4.0530 4.0531 4.0531 4.1462 4.1462 4.1462 4.1462 5.2213 5.2213 5.2219 5.2219 k = 0.0644 0.5001 0.0914 ( 14932 PWs) bands (ev): -10.1597 -10.1597 -10.1597 -10.1597 -10.1583 -10.1583 -10.1583 -10.1583 -2.4639 -2.4639 -2.4639 -2.4639 -2.4581 -2.4581 -2.4581 -2.4581 -1.6365 -1.6365 -1.6365 -1.6365 -1.6300 -1.6300 -1.6300 -1.6300 -1.0793 -1.0793 -1.0793 -1.0793 -1.0664 -1.0664 -1.0664 -1.0664 3.9899 3.9899 3.9899 3.9899 4.0852 4.0852 4.0853 4.0853 5.1949 5.1949 5.1955 5.1955 k = 0.0773 0.5001 0.0914 ( 14932 PWs) bands (ev): -10.1679 -10.1679 -10.1679 -10.1679 -10.1664 -10.1664 -10.1664 -10.1664 -2.4386 -2.4386 -2.4386 -2.4386 -2.4315 -2.4315 -2.4315 -2.4315 -1.6235 -1.6235 -1.6235 -1.6235 -1.6158 -1.6158 -1.6158 -1.6158 -1.0696 -1.0696 -1.0696 -1.0696 -1.0541 -1.0541 -1.0541 -1.0541 3.9173 3.9173 3.9173 3.9173 4.0150 4.0150 4.0150 4.0150 5.1757 5.1757 5.1761 5.1761 k = 0.0902 0.5001 0.0914 ( 14938 PWs) bands (ev): -10.1775 -10.1775 -10.1775 -10.1775 -10.1757 -10.1757 -10.1757 -10.1757 -2.4088 -2.4088 -2.4088 -2.4088 -2.4005 -2.4005 -2.4005 -2.4005 -1.6082 -1.6082 -1.6082 -1.6082 -1.5993 -1.5993 -1.5993 -1.5993 -1.0580 -1.0580 -1.0580 -1.0580 -1.0399 -1.0399 -1.0399 -1.0399 3.8372 3.8372 3.8372 3.8372 3.9372 3.9372 3.9372 3.9372 5.1630 5.1630 5.1634 5.1634 k = 0.1030 0.5001 0.0914 ( 14942 PWs) bands (ev): -10.1883 -10.1883 -10.1883 -10.1883 -10.1863 -10.1863 -10.1863 -10.1863 -2.3748 -2.3748 -2.3748 -2.3748 -2.3652 -2.3652 -2.3652 -2.3652 -1.5907 -1.5907 -1.5907 -1.5907 -1.5806 -1.5806 -1.5806 -1.5806 -1.0446 -1.0446 -1.0446 -1.0446 -1.0239 -1.0239 -1.0239 -1.0239 3.7515 3.7515 3.7515 3.7515 3.8534 3.8534 3.8534 3.8534 5.1560 5.1560 5.1564 5.1564 k = 0.1159 0.5001 0.0914 ( 14942 PWs) bands (ev): -10.2003 -10.2003 -10.2003 -10.2003 -10.1980 -10.1980 -10.1980 -10.1980 -2.3365 -2.3365 -2.3365 -2.3365 -2.3257 -2.3257 -2.3257 -2.3257 -1.5710 -1.5710 -1.5710 -1.5710 -1.5598 -1.5598 -1.5598 -1.5598 -1.0295 -1.0295 -1.0295 -1.0295 -1.0062 -1.0062 -1.0062 -1.0062 3.6616 3.6616 3.6616 3.6616 3.7650 3.7650 3.7650 3.7650 5.1540 5.1540 5.1544 5.1544 k = 0.1288 0.5001 0.0914 ( 14936 PWs) bands (ev): -10.2133 -10.2133 -10.2133 -10.2133 -10.2109 -10.2109 -10.2109 -10.2109 -2.2943 -2.2943 -2.2943 -2.2943 -2.2821 -2.2821 -2.2821 -2.2821 -1.5493 -1.5493 -1.5493 -1.5493 -1.5370 -1.5370 -1.5370 -1.5370 -1.0128 -1.0128 -1.0128 -1.0128 -0.9869 -0.9869 -0.9869 -0.9869 3.5688 3.5688 3.5688 3.5688 3.6733 3.6733 3.6733 3.6733 5.1561 5.1561 5.1564 5.1564 k = 0.1417 0.5001 0.0914 ( 14948 PWs) bands (ev): -10.2273 -10.2273 -10.2273 -10.2273 -10.2247 -10.2247 -10.2247 -10.2247 -2.2483 -2.2483 -2.2483 -2.2483 -2.2347 -2.2347 -2.2347 -2.2347 -1.5257 -1.5257 -1.5257 -1.5257 -1.5123 -1.5123 -1.5123 -1.5123 -0.9947 -0.9947 -0.9947 -0.9947 -0.9660 -0.9660 -0.9660 -0.9660 3.4742 3.4742 3.4742 3.4742 3.5794 3.5794 3.5794 3.5794 5.1616 5.1616 5.1619 5.1619 k = 0.1545 0.5001 0.0914 ( 14948 PWs) bands (ev): -10.2422 -10.2422 -10.2422 -10.2422 -10.2394 -10.2394 -10.2394 -10.2394 -2.1988 -2.1988 -2.1988 -2.1988 -2.1836 -2.1836 -2.1836 -2.1836 -1.5002 -1.5002 -1.5002 -1.5002 -1.4858 -1.4858 -1.4858 -1.4858 -0.9751 -0.9751 -0.9751 -0.9751 -0.9437 -0.9437 -0.9437 -0.9437 3.3785 3.3785 3.3786 3.3786 3.4840 3.4840 3.4840 3.4840 5.1697 5.1697 5.1700 5.1700 k = 0.1674 0.5001 0.0914 ( 14936 PWs) bands (ev): -10.2578 -10.2578 -10.2578 -10.2578 -10.2548 -10.2548 -10.2548 -10.2548 -2.1459 -2.1459 -2.1459 -2.1459 -2.1292 -2.1292 -2.1292 -2.1292 -1.4731 -1.4731 -1.4731 -1.4731 -1.4576 -1.4576 -1.4576 -1.4576 -0.9543 -0.9543 -0.9543 -0.9543 -0.9202 -0.9202 -0.9202 -0.9202 3.2826 3.2826 3.2826 3.2826 3.3880 3.3880 3.3880 3.3880 5.1799 5.1799 5.1802 5.1802 k = 0.1803 0.5001 0.0914 ( 14936 PWs) bands (ev): -10.2740 -10.2740 -10.2740 -10.2740 -10.2709 -10.2709 -10.2709 -10.2709 -2.0899 -2.0899 -2.0899 -2.0899 -2.0716 -2.0716 -2.0716 -2.0716 -1.4444 -1.4444 -1.4444 -1.4444 -1.4278 -1.4278 -1.4278 -1.4278 -0.9324 -0.9324 -0.9324 -0.9324 -0.8956 -0.8956 -0.8956 -0.8956 3.1870 3.1870 3.1870 3.1870 3.2919 3.2919 3.2919 3.2919 5.1916 5.1916 5.1919 5.1919 k = 0.1932 0.5001 0.0914 ( 14938 PWs) bands (ev): -10.2908 -10.2908 -10.2908 -10.2908 -10.2876 -10.2876 -10.2876 -10.2876 -2.0311 -2.0311 -2.0311 -2.0311 -2.0111 -2.0111 -2.0111 -2.0111 -1.4142 -1.4142 -1.4142 -1.4142 -1.3965 -1.3965 -1.3965 -1.3965 -0.9097 -0.9097 -0.9096 -0.9096 -0.8700 -0.8700 -0.8699 -0.8699 3.0921 3.0921 3.0921 3.0921 3.1962 3.1962 3.1962 3.1962 5.2044 5.2044 5.2046 5.2046 k = 0.2061 0.5001 0.0914 ( 14948 PWs) bands (ev): -10.3079 -10.3079 -10.3079 -10.3079 -10.3046 -10.3046 -10.3046 -10.3046 -1.9699 -1.9699 -1.9699 -1.9699 -1.9481 -1.9481 -1.9481 -1.9481 -1.3828 -1.3828 -1.3828 -1.3828 -1.3639 -1.3639 -1.3639 -1.3639 -0.8861 -0.8861 -0.8861 -0.8861 -0.8436 -0.8436 -0.8436 -0.8436 2.9984 2.9984 2.9984 2.9984 3.1013 3.1013 3.1013 3.1013 5.2177 5.2177 5.2180 5.2180 k = 0.2189 0.5001 0.0914 ( 14946 PWs) bands (ev): -10.3254 -10.3254 -10.3254 -10.3254 -10.3220 -10.3220 -10.3220 -10.3220 -1.9065 -1.9065 -1.9065 -1.9065 -1.8829 -1.8829 -1.8829 -1.8829 -1.3501 -1.3501 -1.3501 -1.3501 -1.3300 -1.3300 -1.3300 -1.3300 -0.8620 -0.8620 -0.8620 -0.8620 -0.8166 -0.8166 -0.8166 -0.8166 2.9061 2.9061 2.9061 2.9061 3.0077 3.0077 3.0077 3.0077 5.2312 5.2312 5.2315 5.2315 k = 0.2318 0.5001 0.0914 ( 14942 PWs) bands (ev): -10.3430 -10.3430 -10.3430 -10.3430 -10.3396 -10.3396 -10.3396 -10.3396 -1.8413 -1.8413 -1.8413 -1.8413 -1.8158 -1.8158 -1.8158 -1.8158 -1.3164 -1.3164 -1.3164 -1.3164 -1.2950 -1.2950 -1.2950 -1.2950 -0.8376 -0.8376 -0.8376 -0.8376 -0.7892 -0.7892 -0.7892 -0.7892 2.8157 2.8157 2.8157 2.8157 2.9155 2.9155 2.9155 2.9155 5.2446 5.2446 5.2448 5.2448 k = 0.2447 0.5001 0.0914 ( 14950 PWs) bands (ev): -10.3607 -10.3607 -10.3607 -10.3607 -10.3572 -10.3572 -10.3572 -10.3572 -1.7747 -1.7747 -1.7747 -1.7747 -1.7472 -1.7472 -1.7472 -1.7472 -1.2819 -1.2819 -1.2819 -1.2819 -1.2589 -1.2589 -1.2589 -1.2589 -0.8130 -0.8130 -0.8130 -0.8130 -0.7616 -0.7616 -0.7616 -0.7616 2.7274 2.7274 2.7274 2.7274 2.8252 2.8252 2.8252 2.8252 5.2575 5.2575 5.2577 5.2577 k = 0.2576 0.5001 0.0914 ( 14938 PWs) bands (ev): -10.3783 -10.3783 -10.3783 -10.3783 -10.3748 -10.3748 -10.3748 -10.3748 -1.7072 -1.7072 -1.7072 -1.7072 -1.6775 -1.6775 -1.6775 -1.6775 -1.2466 -1.2466 -1.2466 -1.2466 -1.2218 -1.2218 -1.2218 -1.2218 -0.7885 -0.7885 -0.7885 -0.7885 -0.7340 -0.7340 -0.7340 -0.7340 2.6414 2.6414 2.6414 2.6414 2.7369 2.7369 2.7369 2.7369 5.2697 5.2697 5.2700 5.2700 k = 0.2705 0.5001 0.0914 ( 14944 PWs) bands (ev): -10.3957 -10.3957 -10.3957 -10.3957 -10.3922 -10.3922 -10.3922 -10.3922 -1.6391 -1.6391 -1.6390 -1.6390 -1.6072 -1.6072 -1.6072 -1.6072 -1.2107 -1.2107 -1.2107 -1.2107 -1.1839 -1.1839 -1.1839 -1.1839 -0.7643 -0.7643 -0.7643 -0.7643 -0.7067 -0.7067 -0.7067 -0.7067 2.5580 2.5580 2.5580 2.5580 2.6509 2.6509 2.6509 2.6509 5.2813 5.2813 5.2815 5.2815 k = 0.2833 0.5001 0.0914 ( 14952 PWs) bands (ev): -10.4129 -10.4129 -10.4129 -10.4129 -10.4094 -10.4094 -10.4094 -10.4094 -1.5708 -1.5708 -1.5708 -1.5708 -1.5367 -1.5367 -1.5367 -1.5367 -1.1743 -1.1743 -1.1743 -1.1743 -1.1452 -1.1452 -1.1452 -1.1452 -0.7407 -0.7407 -0.7407 -0.7407 -0.6798 -0.6798 -0.6798 -0.6798 2.4773 2.4773 2.4773 2.4773 2.5674 2.5674 2.5674 2.5674 5.2921 5.2921 5.2924 5.2924 k = 0.2962 0.5001 0.0914 ( 14938 PWs) bands (ev): -10.4296 -10.4296 -10.4296 -10.4296 -10.4261 -10.4261 -10.4261 -10.4261 -1.5030 -1.5030 -1.5030 -1.5030 -1.4665 -1.4665 -1.4665 -1.4665 -1.1377 -1.1377 -1.1377 -1.1377 -1.1059 -1.1059 -1.1059 -1.1059 -0.7177 -0.7177 -0.7177 -0.7177 -0.6537 -0.6537 -0.6537 -0.6537 2.3997 2.3997 2.3997 2.3997 2.4867 2.4867 2.4867 2.4867 5.3024 5.3024 5.3027 5.3027 k = 0.3091 0.5001 0.0914 ( 14930 PWs) bands (ev): -10.4459 -10.4459 -10.4459 -10.4459 -10.4424 -10.4424 -10.4424 -10.4424 -1.4360 -1.4360 -1.4360 -1.4360 -1.3972 -1.3972 -1.3972 -1.3972 -1.1009 -1.1009 -1.1009 -1.1009 -1.0660 -1.0660 -1.0659 -1.0659 -0.6958 -0.6958 -0.6957 -0.6957 -0.6285 -0.6285 -0.6285 -0.6285 2.3253 2.3253 2.3253 2.3253 2.4089 2.4089 2.4089 2.4089 5.3124 5.3124 5.3126 5.3126 k = 0.3220 0.5001 0.0914 ( 14926 PWs) bands (ev): -10.4615 -10.4615 -10.4615 -10.4615 -10.4581 -10.4581 -10.4581 -10.4581 -1.3704 -1.3704 -1.3704 -1.3704 -1.3293 -1.3293 -1.3293 -1.3293 -1.0640 -1.0640 -1.0640 -1.0640 -1.0256 -1.0256 -1.0256 -1.0256 -0.6750 -0.6750 -0.6750 -0.6750 -0.6045 -0.6045 -0.6045 -0.6045 2.2543 2.2543 2.2543 2.2543 2.3342 2.3342 2.3342 2.3342 5.3223 5.3223 5.3225 5.3225 k = 0.3348 0.5001 0.0914 ( 14914 PWs) bands (ev): -10.4765 -10.4765 -10.4765 -10.4765 -10.4732 -10.4732 -10.4732 -10.4732 -1.3068 -1.3068 -1.3068 -1.3068 -1.2635 -1.2635 -1.2635 -1.2635 -1.0272 -1.0272 -1.0271 -1.0271 -0.9849 -0.9849 -0.9849 -0.9849 -0.6555 -0.6555 -0.6555 -0.6555 -0.5820 -0.5820 -0.5820 -0.5820 2.1871 2.1871 2.1871 2.1871 2.2630 2.2630 2.2630 2.2630 5.3325 5.3325 5.3327 5.3327 k = 0.3477 0.5001 0.0914 ( 14912 PWs) bands (ev): -10.4907 -10.4907 -10.4907 -10.4907 -10.4875 -10.4875 -10.4875 -10.4875 -1.2457 -1.2457 -1.2457 -1.2457 -1.2005 -1.2005 -1.2005 -1.2005 -0.9904 -0.9904 -0.9903 -0.9903 -0.9441 -0.9441 -0.9441 -0.9441 -0.6377 -0.6377 -0.6377 -0.6377 -0.5612 -0.5612 -0.5612 -0.5612 2.1237 2.1237 2.1237 2.1237 2.1954 2.1954 2.1954 2.1954 5.3434 5.3434 5.3435 5.3435 k = 0.3606 0.5001 0.0914 ( 14900 PWs) bands (ev): -10.5041 -10.5041 -10.5041 -10.5041 -10.5009 -10.5009 -10.5009 -10.5009 -1.1876 -1.1876 -1.1876 -1.1876 -1.1410 -1.1410 -1.1410 -1.1410 -0.9536 -0.9536 -0.9536 -0.9536 -0.9033 -0.9033 -0.9033 -0.9033 -0.6216 -0.6216 -0.6216 -0.6216 -0.5423 -0.5423 -0.5423 -0.5423 2.0645 2.0645 2.0645 2.0645 2.1316 2.1316 2.1316 2.1316 5.3552 5.3552 5.3554 5.3554 k = 0.3735 0.5001 0.0914 ( 14904 PWs) bands (ev): -10.5165 -10.5165 -10.5165 -10.5165 -10.5135 -10.5135 -10.5135 -10.5135 -1.1330 -1.1330 -1.1330 -1.1330 -1.0858 -1.0858 -1.0858 -1.0858 -0.9168 -0.9168 -0.9168 -0.9168 -0.8628 -0.8628 -0.8628 -0.8628 -0.6073 -0.6073 -0.6073 -0.6073 -0.5256 -0.5256 -0.5256 -0.5256 2.0096 2.0096 2.0096 2.0096 2.0719 2.0719 2.0719 2.0719 5.3683 5.3683 5.3684 5.3684 k = 0.3864 0.5001 0.0914 ( 14906 PWs) bands (ev): -10.5280 -10.5280 -10.5280 -10.5280 -10.5250 -10.5250 -10.5250 -10.5250 -1.0824 -1.0824 -1.0824 -1.0824 -1.0356 -1.0356 -1.0356 -1.0356 -0.8800 -0.8800 -0.8799 -0.8799 -0.8231 -0.8231 -0.8231 -0.8231 -0.5950 -0.5950 -0.5950 -0.5950 -0.5114 -0.5114 -0.5114 -0.5114 1.9594 1.9594 1.9594 1.9594 2.0166 2.0166 2.0166 2.0166 5.3827 5.3827 5.3828 5.3828 k = 0.3992 0.5001 0.0914 ( 14910 PWs) bands (ev): -10.5384 -10.5384 -10.5384 -10.5384 -10.5355 -10.5355 -10.5355 -10.5355 -1.0363 -1.0363 -1.0363 -1.0363 -0.9913 -0.9913 -0.9913 -0.9913 -0.8430 -0.8430 -0.8430 -0.8430 -0.7844 -0.7844 -0.7844 -0.7844 -0.5847 -0.5847 -0.5847 -0.5847 -0.4998 -0.4998 -0.4998 -0.4998 1.9141 1.9141 1.9141 1.9141 1.9658 1.9658 1.9658 1.9658 5.3985 5.3985 5.3987 5.3987 k = 0.4121 0.5001 0.0914 ( 14900 PWs) bands (ev): -10.5477 -10.5477 -10.5477 -10.5477 -10.5449 -10.5449 -10.5449 -10.5449 -0.9950 -0.9950 -0.9950 -0.9950 -0.9530 -0.9530 -0.9530 -0.9530 -0.8064 -0.8064 -0.8064 -0.8064 -0.7472 -0.7472 -0.7472 -0.7472 -0.5764 -0.5764 -0.5764 -0.5764 -0.4912 -0.4912 -0.4912 -0.4912 1.8739 1.8739 1.8739 1.8739 1.9200 1.9200 1.9200 1.9200 5.4156 5.4156 5.4158 5.4158 k = 0.4250 0.5001 0.0914 ( 14908 PWs) bands (ev): -10.5558 -10.5558 -10.5558 -10.5558 -10.5532 -10.5532 -10.5532 -10.5532 -0.9590 -0.9590 -0.9590 -0.9590 -0.9208 -0.9208 -0.9208 -0.9208 -0.7707 -0.7707 -0.7707 -0.7707 -0.7122 -0.7122 -0.7122 -0.7122 -0.5700 -0.5700 -0.5700 -0.5700 -0.4856 -0.4856 -0.4856 -0.4856 1.8392 1.8392 1.8392 1.8392 1.8792 1.8792 1.8792 1.8792 5.4337 5.4337 5.4338 5.4338 k = 0.4379 0.5001 0.0914 ( 14918 PWs) bands (ev): -10.5627 -10.5627 -10.5627 -10.5627 -10.5602 -10.5602 -10.5602 -10.5602 -0.9285 -0.9285 -0.9285 -0.9285 -0.8945 -0.8945 -0.8945 -0.8945 -0.7368 -0.7368 -0.7368 -0.7368 -0.6799 -0.6799 -0.6799 -0.6799 -0.5653 -0.5653 -0.5653 -0.5653 -0.4832 -0.4832 -0.4832 -0.4832 1.8100 1.8100 1.8100 1.8100 1.8439 1.8439 1.8439 1.8439 5.4523 5.4523 5.4524 5.4524 k = 0.4508 0.5001 0.0914 ( 14936 PWs) bands (ev): -10.5683 -10.5683 -10.5683 -10.5683 -10.5660 -10.5660 -10.5660 -10.5660 -0.9039 -0.9039 -0.9039 -0.9039 -0.8738 -0.8738 -0.8737 -0.8737 -0.7059 -0.7059 -0.7058 -0.7058 -0.6510 -0.6510 -0.6510 -0.6510 -0.5617 -0.5617 -0.5617 -0.5617 -0.4841 -0.4841 -0.4841 -0.4841 1.7867 1.7867 1.7867 1.7867 1.8141 1.8141 1.8141 1.8141 5.4705 5.4705 5.4706 5.4706 k = 0.4636 0.5001 0.0914 ( 14928 PWs) bands (ev): -10.5727 -10.5727 -10.5727 -10.5727 -10.5705 -10.5705 -10.5705 -10.5705 -0.8854 -0.8854 -0.8854 -0.8854 -0.8584 -0.8584 -0.8584 -0.8584 -0.6788 -0.6788 -0.6788 -0.6788 -0.6265 -0.6265 -0.6265 -0.6265 -0.5584 -0.5584 -0.5584 -0.5584 -0.4883 -0.4883 -0.4883 -0.4883 1.7693 1.7693 1.7693 1.7693 1.7902 1.7902 1.7902 1.7902 5.4873 5.4873 5.4874 5.4874 k = 0.4765 0.5001 0.0914 ( 14932 PWs) bands (ev): -10.5758 -10.5758 -10.5758 -10.5758 -10.5738 -10.5738 -10.5738 -10.5738 -0.8731 -0.8731 -0.8731 -0.8731 -0.8486 -0.8486 -0.8486 -0.8486 -0.6568 -0.6568 -0.6568 -0.6568 -0.6078 -0.6078 -0.6078 -0.6078 -0.5538 -0.5538 -0.5538 -0.5538 -0.4955 -0.4955 -0.4955 -0.4955 1.7581 1.7581 1.7581 1.7581 1.7723 1.7723 1.7723 1.7723 5.5013 5.5013 5.5014 5.5014 k = 0.4894 0.5001 0.0914 ( 14932 PWs) bands (ev): -10.5776 -10.5776 -10.5776 -10.5776 -10.5757 -10.5757 -10.5757 -10.5757 -0.8670 -0.8670 -0.8670 -0.8670 -0.8443 -0.8443 -0.8443 -0.8443 -0.6412 -0.6412 -0.6412 -0.6412 -0.5968 -0.5968 -0.5968 -0.5968 -0.5463 -0.5463 -0.5463 -0.5463 -0.5050 -0.5050 -0.5050 -0.5050 1.7531 1.7531 1.7531 1.7531 1.7605 1.7605 1.7605 1.7605 5.5108 5.5108 5.5108 5.5108 k = 0.4894 0.5001 0.0914 ( 14932 PWs) bands (ev): -10.5776 -10.5776 -10.5776 -10.5776 -10.5757 -10.5757 -10.5757 -10.5757 -0.8670 -0.8670 -0.8670 -0.8670 -0.8443 -0.8443 -0.8443 -0.8443 -0.6412 -0.6412 -0.6412 -0.6412 -0.5968 -0.5968 -0.5968 -0.5968 -0.5463 -0.5463 -0.5463 -0.5463 -0.5050 -0.5050 -0.5050 -0.5050 1.7531 1.7531 1.7531 1.7531 1.7605 1.7605 1.7605 1.7605 5.5108 5.5108 5.5108 5.5108 k = 0.4803 0.4909 0.0914 ( 14924 PWs) bands (ev): -10.5753 -10.5753 -10.5753 -10.5753 -10.5731 -10.5731 -10.5731 -10.5731 -0.8737 -0.8737 -0.8737 -0.8737 -0.8473 -0.8473 -0.8472 -0.8472 -0.6640 -0.6640 -0.6640 -0.6640 -0.6111 -0.6111 -0.6111 -0.6111 -0.5595 -0.5595 -0.5595 -0.5595 -0.4909 -0.4909 -0.4909 -0.4909 1.7570 1.7570 1.7570 1.7570 1.7781 1.7781 1.7781 1.7781 5.4984 5.4984 5.4985 5.4985 k = 0.4713 0.4816 0.0914 ( 14928 PWs) bands (ev): -10.5716 -10.5716 -10.5716 -10.5716 -10.5689 -10.5689 -10.5689 -10.5689 -0.8857 -0.8857 -0.8857 -0.8857 -0.8525 -0.8525 -0.8525 -0.8525 -0.6946 -0.6946 -0.6945 -0.6945 -0.6328 -0.6328 -0.6328 -0.6328 -0.5733 -0.5733 -0.5733 -0.5733 -0.4796 -0.4796 -0.4796 -0.4796 1.7634 1.7634 1.7634 1.7634 1.8060 1.8060 1.8060 1.8060 5.4824 5.4824 5.4824 5.4824 k = 0.4622 0.4723 0.0914 ( 14914 PWs) bands (ev): -10.5667 -10.5667 -10.5667 -10.5667 -10.5633 -10.5633 -10.5633 -10.5633 -0.9052 -0.9052 -0.9051 -0.9051 -0.8612 -0.8612 -0.8612 -0.8612 -0.7278 -0.7278 -0.7278 -0.7278 -0.6602 -0.6602 -0.6602 -0.6602 -0.5885 -0.5885 -0.5885 -0.5885 -0.4722 -0.4722 -0.4722 -0.4722 1.7722 1.7722 1.7722 1.7722 1.8438 1.8438 1.8438 1.8438 5.4654 5.4654 5.4655 5.4655 k = 0.4531 0.4631 0.0914 ( 14904 PWs) bands (ev): -10.5604 -10.5604 -10.5604 -10.5604 -10.5562 -10.5562 -10.5562 -10.5562 -0.9346 -0.9346 -0.9345 -0.9345 -0.8756 -0.8756 -0.8756 -0.8756 -0.7592 -0.7592 -0.7592 -0.7592 -0.6903 -0.6903 -0.6903 -0.6903 -0.6055 -0.6055 -0.6055 -0.6055 -0.4692 -0.4692 -0.4692 -0.4692 1.7833 1.7833 1.7833 1.7833 1.8910 1.8910 1.8910 1.8910 5.4495 5.4495 5.4496 5.4496 k = 0.4441 0.4538 0.0914 ( 14912 PWs) bands (ev): -10.5530 -10.5530 -10.5530 -10.5530 -10.5478 -10.5478 -10.5478 -10.5478 -0.9754 -0.9754 -0.9754 -0.9754 -0.8992 -0.8992 -0.8992 -0.8992 -0.7855 -0.7855 -0.7855 -0.7855 -0.7191 -0.7191 -0.7191 -0.7191 -0.6243 -0.6243 -0.6242 -0.6242 -0.4705 -0.4705 -0.4705 -0.4705 1.7968 1.7968 1.7968 1.7968 1.9472 1.9472 1.9472 1.9472 5.4352 5.4352 5.4354 5.4354 k = 0.4350 0.4445 0.0914 ( 14912 PWs) bands (ev): -10.5446 -10.5446 -10.5446 -10.5446 -10.5382 -10.5382 -10.5382 -10.5382 -1.0267 -1.0267 -1.0267 -1.0267 -0.9355 -0.9355 -0.9355 -0.9355 -0.8056 -0.8056 -0.8056 -0.8056 -0.7430 -0.7430 -0.7430 -0.7430 -0.6444 -0.6444 -0.6444 -0.6444 -0.4759 -0.4759 -0.4759 -0.4759 1.8127 1.8127 1.8127 1.8127 2.0118 2.0118 2.0118 2.0118 5.4220 5.4220 5.4221 5.4221 k = 0.4260 0.4353 0.0914 ( 14912 PWs) bands (ev): -10.5351 -10.5351 -10.5351 -10.5351 -10.5275 -10.5275 -10.5275 -10.5275 -1.0860 -1.0860 -1.0860 -1.0860 -0.9848 -0.9848 -0.9848 -0.9848 -0.8207 -0.8207 -0.8207 -0.8207 -0.7608 -0.7608 -0.7608 -0.7608 -0.6656 -0.6656 -0.6656 -0.6656 -0.4852 -0.4852 -0.4851 -0.4851 1.8309 1.8309 1.8309 1.8309 2.0842 2.0842 2.0842 2.0842 5.4070 5.4070 5.4072 5.4072 k = 0.4169 0.4260 0.0914 ( 14910 PWs) bands (ev): -10.5248 -10.5248 -10.5248 -10.5248 -10.5158 -10.5158 -10.5158 -10.5158 -1.1509 -1.1509 -1.1509 -1.1509 -1.0446 -1.0446 -1.0446 -1.0446 -0.8326 -0.8326 -0.8326 -0.8326 -0.7735 -0.7735 -0.7735 -0.7735 -0.6874 -0.6874 -0.6874 -0.6874 -0.4979 -0.4979 -0.4979 -0.4979 1.8514 1.8514 1.8514 1.8514 2.1638 2.1638 2.1638 2.1638 5.3864 5.3864 5.3867 5.3867 k = 0.4078 0.4168 0.0914 ( 14906 PWs) bands (ev): -10.5138 -10.5138 -10.5138 -10.5138 -10.5032 -10.5032 -10.5032 -10.5032 -1.2192 -1.2192 -1.2192 -1.2192 -1.1117 -1.1117 -1.1117 -1.1117 -0.8430 -0.8430 -0.8430 -0.8430 -0.7828 -0.7828 -0.7828 -0.7828 -0.7092 -0.7092 -0.7092 -0.7092 -0.5136 -0.5136 -0.5136 -0.5136 1.8741 1.8741 1.8741 1.8741 2.2501 2.2501 2.2501 2.2501 5.3586 5.3586 5.3588 5.3588 k = 0.3988 0.4075 0.0914 ( 14920 PWs) bands (ev): -10.5023 -10.5023 -10.5023 -10.5023 -10.4900 -10.4900 -10.4900 -10.4900 -1.2894 -1.2894 -1.2894 -1.2894 -1.1836 -1.1836 -1.1836 -1.1836 -0.8526 -0.8526 -0.8526 -0.8526 -0.7897 -0.7897 -0.7897 -0.7897 -0.7306 -0.7306 -0.7306 -0.7306 -0.5320 -0.5320 -0.5320 -0.5320 1.8991 1.8991 1.8991 1.8991 2.3425 2.3425 2.3425 2.3425 5.3251 5.3251 5.3252 5.3252 k = 0.3897 0.3982 0.0914 ( 14936 PWs) bands (ev): -10.4904 -10.4904 -10.4904 -10.4904 -10.4763 -10.4763 -10.4763 -10.4763 -1.3601 -1.3601 -1.3601 -1.3601 -1.2584 -1.2584 -1.2584 -1.2584 -0.8620 -0.8620 -0.8620 -0.8620 -0.7950 -0.7950 -0.7950 -0.7950 -0.7511 -0.7511 -0.7511 -0.7511 -0.5526 -0.5526 -0.5526 -0.5526 1.9264 1.9264 1.9264 1.9264 2.4403 2.4403 2.4403 2.4403 5.2874 5.2874 5.2876 5.2876 k = 0.3806 0.3890 0.0914 ( 14936 PWs) bands (ev): -10.4782 -10.4782 -10.4782 -10.4782 -10.4623 -10.4623 -10.4623 -10.4623 -1.4303 -1.4303 -1.4302 -1.4302 -1.3345 -1.3345 -1.3345 -1.3345 -0.8715 -0.8715 -0.8715 -0.8715 -0.7992 -0.7992 -0.7992 -0.7992 -0.7704 -0.7704 -0.7704 -0.7704 -0.5749 -0.5749 -0.5749 -0.5749 1.9558 1.9558 1.9558 1.9558 2.5432 2.5432 2.5432 2.5432 5.2467 5.2467 5.2468 5.2468 k = 0.3716 0.3797 0.0914 ( 14944 PWs) bands (ev): -10.4661 -10.4661 -10.4661 -10.4661 -10.4482 -10.4482 -10.4482 -10.4482 -1.4988 -1.4988 -1.4988 -1.4988 -1.4106 -1.4106 -1.4106 -1.4106 -0.8813 -0.8813 -0.8813 -0.8813 -0.8025 -0.8025 -0.8025 -0.8025 -0.7879 -0.7879 -0.7879 -0.7879 -0.5985 -0.5985 -0.5985 -0.5985 1.9873 1.9873 1.9873 1.9873 2.6503 2.6503 2.6503 2.6503 5.2038 5.2038 5.2039 5.2039 k = 0.3625 0.3705 0.0914 ( 14916 PWs) bands (ev): -10.4541 -10.4541 -10.4541 -10.4541 -10.4342 -10.4342 -10.4342 -10.4342 -1.5649 -1.5649 -1.5649 -1.5649 -1.4855 -1.4855 -1.4855 -1.4855 -0.8915 -0.8915 -0.8915 -0.8915 -0.8052 -0.8052 -0.8052 -0.8052 -0.8034 -0.8034 -0.8034 -0.8034 -0.6230 -0.6230 -0.6230 -0.6230 2.0209 2.0209 2.0209 2.0209 2.7612 2.7612 2.7612 2.7612 5.1592 5.1592 5.1592 5.1592 k = 0.3535 0.3612 0.0914 ( 14918 PWs) bands (ev): -10.4424 -10.4424 -10.4424 -10.4424 -10.4205 -10.4205 -10.4205 -10.4205 -1.6277 -1.6277 -1.6277 -1.6277 -1.5583 -1.5583 -1.5583 -1.5583 -0.9020 -0.9020 -0.9020 -0.9020 -0.8168 -0.8168 -0.8168 -0.8168 -0.8074 -0.8074 -0.8074 -0.8074 -0.6478 -0.6478 -0.6478 -0.6478 2.0566 2.0566 2.0566 2.0566 2.8751 2.8751 2.8751 2.8751 5.1136 5.1136 5.1137 5.1137 k = 0.3444 0.3519 0.0914 ( 14910 PWs) bands (ev): -10.4314 -10.4314 -10.4314 -10.4314 -10.4074 -10.4074 -10.4074 -10.4074 -1.6864 -1.6864 -1.6864 -1.6864 -1.6279 -1.6279 -1.6279 -1.6279 -0.9127 -0.9127 -0.9127 -0.9127 -0.8278 -0.8278 -0.8278 -0.8278 -0.8095 -0.8095 -0.8095 -0.8095 -0.6723 -0.6723 -0.6723 -0.6723 2.0943 2.0943 2.0943 2.0943 2.9914 2.9914 2.9914 2.9914 5.0678 5.0678 5.0678 5.0678 k = 0.3353 0.3427 0.0914 ( 14924 PWs) bands (ev): -10.4210 -10.4210 -10.4210 -10.4210 -10.3949 -10.3949 -10.3949 -10.3949 -1.7403 -1.7403 -1.7403 -1.7403 -1.6936 -1.6936 -1.6936 -1.6936 -0.9233 -0.9233 -0.9232 -0.9232 -0.8366 -0.8366 -0.8366 -0.8366 -0.8121 -0.8121 -0.8121 -0.8121 -0.6956 -0.6956 -0.6956 -0.6956 2.1338 2.1338 2.1338 2.1338 3.1089 3.1089 3.1089 3.1089 5.0226 5.0226 5.0227 5.0227 k = 0.3263 0.3334 0.0914 ( 14916 PWs) bands (ev): -10.4117 -10.4117 -10.4117 -10.4117 -10.3834 -10.3834 -10.3834 -10.3834 -1.7888 -1.7888 -1.7888 -1.7888 -1.7547 -1.7547 -1.7547 -1.7547 -0.9334 -0.9334 -0.9334 -0.9334 -0.8433 -0.8433 -0.8433 -0.8433 -0.8160 -0.8160 -0.8160 -0.8160 -0.7165 -0.7165 -0.7165 -0.7165 2.1752 2.1752 2.1752 2.1752 3.2267 3.2267 3.2267 3.2267 4.9792 4.9792 4.9792 4.9792 k = 0.3172 0.3242 0.0914 ( 14932 PWs) bands (ev): -10.4035 -10.4035 -10.4035 -10.4035 -10.3730 -10.3730 -10.3730 -10.3730 -1.8313 -1.8313 -1.8313 -1.8313 -1.8103 -1.8103 -1.8103 -1.8103 -0.9427 -0.9427 -0.9427 -0.9427 -0.8481 -0.8481 -0.8481 -0.8481 -0.8229 -0.8229 -0.8229 -0.8229 -0.7331 -0.7331 -0.7331 -0.7331 2.2184 2.2184 2.2184 2.2184 3.3432 3.3432 3.3432 3.3432 4.9388 4.9388 4.9389 4.9389 k = 0.3081 0.3149 0.0914 ( 14926 PWs) bands (ev): -10.3966 -10.3966 -10.3966 -10.3966 -10.3639 -10.3639 -10.3639 -10.3639 -1.8672 -1.8672 -1.8672 -1.8672 -1.8598 -1.8598 -1.8598 -1.8598 -0.9510 -0.9510 -0.9509 -0.9509 -0.8511 -0.8511 -0.8511 -0.8511 -0.8340 -0.8340 -0.8340 -0.8340 -0.7437 -0.7437 -0.7437 -0.7437 2.2633 2.2633 2.2633 2.2633 3.4564 3.4564 3.4564 3.4564 4.9033 4.9033 4.9033 4.9033 k = 0.2991 0.3056 0.0914 ( 14928 PWs) bands (ev): -10.3912 -10.3912 -10.3912 -10.3912 -10.3562 -10.3562 -10.3562 -10.3562 -1.9029 -1.9029 -1.9029 -1.9029 -1.8961 -1.8961 -1.8961 -1.8961 -0.9579 -0.9579 -0.9579 -0.9579 -0.8536 -0.8536 -0.8536 -0.8536 -0.8486 -0.8486 -0.8485 -0.8485 -0.7479 -0.7479 -0.7479 -0.7479 2.3097 2.3097 2.3097 2.3097 3.5640 3.5640 3.5640 3.5640 4.8747 4.8747 4.8747 4.8747 k = 0.2900 0.2964 0.0914 ( 14962 PWs) bands (ev): -10.3874 -10.3874 -10.3874 -10.3874 -10.3502 -10.3502 -10.3502 -10.3502 -1.9388 -1.9388 -1.9388 -1.9388 -1.9176 -1.9176 -1.9176 -1.9176 -0.9634 -0.9634 -0.9634 -0.9634 -0.8692 -0.8692 -0.8692 -0.8692 -0.8513 -0.8513 -0.8513 -0.8513 -0.7470 -0.7470 -0.7470 -0.7470 2.3576 2.3576 2.3576 2.3576 3.6624 3.6624 3.6624 3.6624 4.8549 4.8549 4.8550 4.8550 k = 0.2809 0.2871 0.0914 ( 14974 PWs) bands (ev): -10.3854 -10.3854 -10.3854 -10.3854 -10.3459 -10.3459 -10.3459 -10.3459 -1.9673 -1.9673 -1.9673 -1.9673 -1.9315 -1.9315 -1.9315 -1.9315 -0.9673 -0.9673 -0.9673 -0.9673 -0.8892 -0.8892 -0.8892 -0.8892 -0.8493 -0.8493 -0.8493 -0.8493 -0.7424 -0.7424 -0.7424 -0.7424 2.4068 2.4068 2.4068 2.4068 3.7479 3.7479 3.7479 3.7479 4.8315 4.8315 4.8316 4.8316 k = 0.2719 0.2778 0.0914 ( 14974 PWs) bands (ev): -10.3852 -10.3852 -10.3852 -10.3852 -10.3434 -10.3434 -10.3434 -10.3434 -1.9880 -1.9880 -1.9880 -1.9880 -1.9373 -1.9373 -1.9373 -1.9373 -0.9696 -0.9696 -0.9696 -0.9696 -0.9097 -0.9097 -0.9097 -0.9097 -0.8455 -0.8455 -0.8455 -0.8455 -0.7349 -0.7349 -0.7349 -0.7349 2.4572 2.4572 2.4572 2.4572 3.8162 3.8162 3.8162 3.8162 4.6984 4.6984 4.6984 4.6984 k = 0.2628 0.2686 0.0914 ( 14962 PWs) bands (ev): -10.3870 -10.3870 -10.3870 -10.3870 -10.3427 -10.3427 -10.3427 -10.3427 -2.0005 -2.0005 -2.0005 -2.0005 -1.9350 -1.9350 -1.9350 -1.9350 -0.9702 -0.9702 -0.9702 -0.9702 -0.9298 -0.9298 -0.9297 -0.9297 -0.8400 -0.8400 -0.8399 -0.8399 -0.7251 -0.7251 -0.7251 -0.7251 2.5086 2.5086 2.5086 2.5086 3.8645 3.8645 3.8646 3.8646 4.5380 4.5380 4.5380 4.5380 k = 0.2538 0.2593 0.0914 ( 14958 PWs) bands (ev): -10.3906 -10.3906 -10.3906 -10.3906 -10.3440 -10.3440 -10.3440 -10.3440 -2.0048 -2.0048 -2.0048 -2.0048 -1.9244 -1.9244 -1.9244 -1.9244 -0.9691 -0.9691 -0.9691 -0.9691 -0.9490 -0.9490 -0.9490 -0.9490 -0.8326 -0.8326 -0.8326 -0.8326 -0.7132 -0.7132 -0.7132 -0.7132 2.5607 2.5607 2.5607 2.5607 3.8922 3.8922 3.8922 3.8922 4.3765 4.3765 4.3765 4.3765 k = 0.2447 0.2501 0.0914 ( 14952 PWs) bands (ev): -10.3963 -10.3963 -10.3963 -10.3963 -10.3473 -10.3473 -10.3473 -10.3473 -2.0006 -2.0006 -2.0006 -2.0006 -1.9055 -1.9055 -1.9055 -1.9055 -0.9685 -0.9685 -0.9685 -0.9685 -0.9649 -0.9649 -0.9649 -0.9649 -0.8233 -0.8233 -0.8233 -0.8233 -0.6994 -0.6994 -0.6994 -0.6994 2.6133 2.6133 2.6133 2.6133 3.9011 3.9011 3.9012 3.9012 4.2159 4.2159 4.2159 4.2159 k = 0.2356 0.2408 0.0914 ( 14960 PWs) bands (ev): -10.4039 -10.4039 -10.4039 -10.4039 -10.3524 -10.3524 -10.3524 -10.3524 -1.9879 -1.9879 -1.9879 -1.9879 -1.8783 -1.8783 -1.8783 -1.8783 -0.9844 -0.9844 -0.9844 -0.9844 -0.9613 -0.9613 -0.9613 -0.9613 -0.8122 -0.8122 -0.8121 -0.8121 -0.6838 -0.6838 -0.6838 -0.6838 2.6659 2.6659 2.6659 2.6659 3.8950 3.8950 3.8950 3.8950 4.0570 4.0570 4.0570 4.0570 k = 0.2266 0.2315 0.0914 ( 14940 PWs) bands (ev): -10.4134 -10.4134 -10.4134 -10.4134 -10.3594 -10.3594 -10.3594 -10.3594 -1.9667 -1.9667 -1.9667 -1.9667 -1.8429 -1.8429 -1.8429 -1.8429 -0.9999 -0.9999 -0.9998 -0.9998 -0.9551 -0.9551 -0.9551 -0.9551 -0.7990 -0.7990 -0.7990 -0.7990 -0.6664 -0.6664 -0.6664 -0.6664 2.7180 2.7180 2.7180 2.7180 3.8775 3.8775 3.8776 3.8776 3.9006 3.9006 3.9007 3.9007 k = 0.2175 0.2223 0.0914 ( 14946 PWs) bands (ev): -10.4247 -10.4247 -10.4247 -10.4247 -10.3681 -10.3681 -10.3681 -10.3681 -1.9371 -1.9371 -1.9371 -1.9371 -1.7995 -1.7995 -1.7995 -1.7995 -1.0137 -1.0137 -1.0137 -1.0137 -0.9471 -0.9471 -0.9471 -0.9471 -0.7838 -0.7838 -0.7838 -0.7838 -0.6472 -0.6472 -0.6472 -0.6472 2.7684 2.7684 2.7684 2.7684 3.7478 3.7478 3.7479 3.7479 3.8525 3.8525 3.8525 3.8525 k = 0.2084 0.2130 0.0914 ( 14962 PWs) bands (ev): -10.4377 -10.4377 -10.4377 -10.4377 -10.3785 -10.3785 -10.3785 -10.3785 -1.8994 -1.8994 -1.8994 -1.8994 -1.7484 -1.7484 -1.7484 -1.7484 -1.0259 -1.0259 -1.0259 -1.0259 -0.9375 -0.9375 -0.9375 -0.9375 -0.7664 -0.7664 -0.7664 -0.7664 -0.6263 -0.6263 -0.6263 -0.6263 2.8155 2.8155 2.8155 2.8155 3.6007 3.6007 3.6007 3.6007 3.8221 3.8221 3.8222 3.8222 k = 0.1994 0.2038 0.0914 ( 14954 PWs) bands (ev): -10.4523 -10.4523 -10.4523 -10.4523 -10.3904 -10.3904 -10.3904 -10.3904 -1.8536 -1.8536 -1.8536 -1.8536 -1.6901 -1.6901 -1.6901 -1.6901 -1.0362 -1.0362 -1.0362 -1.0362 -0.9262 -0.9262 -0.9262 -0.9262 -0.7468 -0.7468 -0.7468 -0.7468 -0.6037 -0.6037 -0.6037 -0.6037 2.8553 2.8553 2.8553 2.8553 3.4630 3.4630 3.4631 3.4631 3.7886 3.7886 3.7886 3.7886 k = 0.1903 0.1945 0.0914 ( 14958 PWs) bands (ev): -10.4682 -10.4682 -10.4682 -10.4682 -10.4036 -10.4036 -10.4036 -10.4036 -1.8003 -1.8003 -1.8003 -1.8003 -1.6251 -1.6251 -1.6251 -1.6251 -1.0443 -1.0443 -1.0443 -1.0443 -0.9133 -0.9133 -0.9133 -0.9133 -0.7249 -0.7249 -0.7249 -0.7249 -0.5795 -0.5795 -0.5795 -0.5795 2.8794 2.8794 2.8794 2.8794 3.3434 3.3434 3.3434 3.3434 3.7531 3.7531 3.7532 3.7532 k = 0.1813 0.1852 0.0914 ( 14964 PWs) bands (ev): -10.4854 -10.4854 -10.4854 -10.4854 -10.4181 -10.4181 -10.4181 -10.4181 -1.7399 -1.7399 -1.7399 -1.7399 -1.5543 -1.5543 -1.5543 -1.5543 -1.0499 -1.0499 -1.0498 -1.0498 -0.8987 -0.8987 -0.8987 -0.8987 -0.7007 -0.7007 -0.7007 -0.7007 -0.5536 -0.5536 -0.5536 -0.5536 2.8698 2.8698 2.8698 2.8698 3.2596 3.2596 3.2596 3.2596 3.7170 3.7170 3.7170 3.7170 k = 0.1722 0.1760 0.0914 ( 14972 PWs) bands (ev): -10.5036 -10.5036 -10.5036 -10.5036 -10.4335 -10.4335 -10.4335 -10.4335 -1.6730 -1.6730 -1.6730 -1.6730 -1.4789 -1.4789 -1.4789 -1.4789 -1.0521 -1.0521 -1.0521 -1.0521 -0.8822 -0.8822 -0.8822 -0.8822 -0.6741 -0.6741 -0.6741 -0.6741 -0.5262 -0.5262 -0.5262 -0.5262 2.8094 2.8094 2.8094 2.8094 3.2288 3.2288 3.2288 3.2288 3.6808 3.6808 3.6808 3.6808 k = 0.1631 0.1667 0.0914 ( 14992 PWs) bands (ev): -10.5226 -10.5226 -10.5226 -10.5226 -10.4498 -10.4498 -10.4498 -10.4498 -1.6003 -1.6003 -1.6003 -1.6003 -1.4010 -1.4010 -1.4010 -1.4010 -1.0497 -1.0497 -1.0497 -1.0497 -0.8636 -0.8636 -0.8636 -0.8636 -0.6450 -0.6450 -0.6450 -0.6450 -0.4974 -0.4974 -0.4974 -0.4974 2.7086 2.7086 2.7086 2.7086 3.2404 3.2404 3.2404 3.2404 3.6452 3.6452 3.6452 3.6452 k = 0.1541 0.1574 0.0914 ( 14996 PWs) bands (ev): -10.5422 -10.5422 -10.5422 -10.5422 -10.4666 -10.4666 -10.4666 -10.4666 -1.5229 -1.5229 -1.5229 -1.5229 -1.3244 -1.3244 -1.3244 -1.3244 -1.0395 -1.0395 -1.0395 -1.0395 -0.8427 -0.8427 -0.8427 -0.8427 -0.6133 -0.6133 -0.6133 -0.6133 -0.4672 -0.4672 -0.4672 -0.4672 2.5888 2.5888 2.5888 2.5888 3.2729 3.2729 3.2729 3.2729 3.6107 3.6107 3.6107 3.6107 k = 0.1450 0.1482 0.0914 ( 14992 PWs) bands (ev): -10.5621 -10.5621 -10.5621 -10.5621 -10.4839 -10.4839 -10.4839 -10.4839 -1.4420 -1.4420 -1.4420 -1.4420 -1.2559 -1.2559 -1.2559 -1.2559 -1.0156 -1.0156 -1.0155 -1.0155 -0.8186 -0.8186 -0.8186 -0.8186 -0.5790 -0.5790 -0.5790 -0.5790 -0.4358 -0.4358 -0.4358 -0.4358 2.4621 2.4621 2.4621 2.4621 3.3137 3.3137 3.3138 3.3138 3.5778 3.5778 3.5778 3.5778 k = 0.1359 0.1389 0.0914 ( 14988 PWs) bands (ev): -10.5822 -10.5822 -10.5822 -10.5822 -10.5013 -10.5013 -10.5013 -10.5013 -1.3596 -1.3596 -1.3596 -1.3596 -1.2044 -1.2044 -1.2044 -1.2044 -0.9701 -0.9701 -0.9701 -0.9701 -0.7902 -0.7902 -0.7902 -0.7902 -0.5419 -0.5419 -0.5419 -0.5419 -0.4033 -0.4033 -0.4033 -0.4033 2.3337 2.3337 2.3337 2.3337 3.3570 3.3570 3.3571 3.3571 3.5470 3.5470 3.5470 3.5470 k = 0.1269 0.1297 0.0914 ( 14984 PWs) bands (ev): -10.6022 -10.6022 -10.6022 -10.6022 -10.5187 -10.5187 -10.5187 -10.5187 -1.2781 -1.2781 -1.2781 -1.2781 -1.1722 -1.1722 -1.1722 -1.1722 -0.9019 -0.9019 -0.9019 -0.9019 -0.7558 -0.7558 -0.7558 -0.7558 -0.5021 -0.5021 -0.5021 -0.5021 -0.3700 -0.3700 -0.3700 -0.3700 2.2061 2.2061 2.2061 2.2061 3.3978 3.3978 3.3978 3.3978 3.5191 3.5191 3.5191 3.5191 k = 0.1178 0.1204 0.0914 ( 14994 PWs) bands (ev): -10.6219 -10.6219 -10.6219 -10.6219 -10.5358 -10.5358 -10.5358 -10.5358 -1.2031 -1.2031 -1.2031 -1.2031 -1.1506 -1.1506 -1.1506 -1.1506 -0.8200 -0.8200 -0.8200 -0.8200 -0.7120 -0.7120 -0.7120 -0.7120 -0.4593 -0.4593 -0.4593 -0.4593 -0.3359 -0.3359 -0.3359 -0.3359 2.0806 2.0806 2.0806 2.0806 3.4170 3.4170 3.4171 3.4171 3.4649 3.4649 3.4650 3.4650 k = 0.1088 0.1111 0.0914 ( 14978 PWs) bands (ev): -10.6411 -10.6411 -10.6411 -10.6411 -10.5525 -10.5525 -10.5525 -10.5525 -1.1582 -1.1582 -1.1582 -1.1582 -1.1124 -1.1124 -1.1124 -1.1124 -0.7354 -0.7354 -0.7354 -0.7354 -0.6540 -0.6540 -0.6540 -0.6540 -0.4133 -0.4133 -0.4133 -0.4133 -0.3014 -0.3014 -0.3014 -0.3014 1.9580 1.9580 1.9580 1.9580 3.3360 3.3360 3.3360 3.3360 3.4403 3.4403 3.4404 3.4404 k = 0.0997 0.1019 0.0914 ( 14982 PWs) bands (ev): -10.6595 -10.6595 -10.6595 -10.6595 -10.5687 -10.5687 -10.5687 -10.5687 -1.1459 -1.1459 -1.1459 -1.1459 -1.0545 -1.0545 -1.0545 -1.0545 -0.6551 -0.6551 -0.6551 -0.6551 -0.5786 -0.5786 -0.5786 -0.5786 -0.3634 -0.3634 -0.3634 -0.3634 -0.2667 -0.2667 -0.2667 -0.2667 1.8389 1.8389 1.8389 1.8389 3.2340 3.2340 3.2340 3.2340 3.4218 3.4218 3.4218 3.4218 k = 0.0906 0.0926 0.0914 ( 14984 PWs) bands (ev): -10.6770 -10.6770 -10.6770 -10.6770 -10.5840 -10.5840 -10.5840 -10.5840 -1.1397 -1.1397 -1.1397 -1.1397 -1.0031 -1.0031 -1.0031 -1.0031 -0.5766 -0.5766 -0.5766 -0.5766 -0.4927 -0.4927 -0.4927 -0.4927 -0.3089 -0.3089 -0.3089 -0.3089 -0.2320 -0.2320 -0.2320 -0.2320 1.7239 1.7239 1.7239 1.7239 3.1363 3.1363 3.1363 3.1363 3.4015 3.4015 3.4015 3.4015 k = 0.0816 0.0834 0.0914 ( 14986 PWs) bands (ev): -10.6934 -10.6934 -10.6934 -10.6934 -10.5984 -10.5984 -10.5984 -10.5984 -1.1353 -1.1353 -1.1353 -1.1353 -0.9617 -0.9617 -0.9617 -0.9617 -0.4955 -0.4955 -0.4955 -0.4955 -0.4068 -0.4068 -0.4067 -0.4067 -0.2484 -0.2484 -0.2484 -0.2484 -0.1975 -0.1975 -0.1975 -0.1975 1.6135 1.6135 1.6135 1.6135 3.0449 3.0449 3.0449 3.0449 3.3820 3.3820 3.3820 3.3820 k = 0.0725 0.0741 0.0914 ( 14978 PWs) bands (ev): -10.7086 -10.7086 -10.7086 -10.7086 -10.6116 -10.6116 -10.6116 -10.6116 -1.1317 -1.1317 -1.1317 -1.1317 -0.9290 -0.9290 -0.9290 -0.9290 -0.4122 -0.4122 -0.4122 -0.4122 -0.3277 -0.3277 -0.3277 -0.3277 -0.1811 -0.1811 -0.1811 -0.1811 -0.1629 -0.1629 -0.1629 -0.1629 1.5083 1.5083 1.5083 1.5083 2.9605 2.9605 2.9605 2.9605 3.3642 3.3642 3.3642 3.3642 k = 0.0634 0.0648 0.0914 ( 14970 PWs) bands (ev): -10.7223 -10.7223 -10.7223 -10.7223 -10.6237 -10.6237 -10.6237 -10.6237 -1.1287 -1.1287 -1.1287 -1.1287 -0.9033 -0.9033 -0.9033 -0.9033 -0.3300 -0.3300 -0.3300 -0.3300 -0.2583 -0.2583 -0.2582 -0.2582 -0.1298 -0.1298 -0.1298 -0.1298 -0.1064 -0.1064 -0.1064 -0.1064 1.4091 1.4091 1.4091 1.4091 2.8839 2.8839 2.8839 2.8839 3.3482 3.3482 3.3483 3.3483 k = 0.0544 0.0556 0.0914 ( 14974 PWs) bands (ev): -10.7345 -10.7345 -10.7345 -10.7345 -10.6344 -10.6344 -10.6344 -10.6344 -1.1260 -1.1260 -1.1260 -1.1260 -0.8831 -0.8831 -0.8831 -0.8831 -0.2534 -0.2534 -0.2534 -0.2534 -0.1979 -0.1979 -0.1979 -0.1979 -0.0942 -0.0942 -0.0942 -0.0942 -0.0314 -0.0314 -0.0314 -0.0314 1.3168 1.3168 1.3168 1.3168 2.8157 2.8157 2.8157 2.8157 3.3344 3.3344 3.3344 3.3344 k = 0.0453 0.0463 0.0914 ( 14980 PWs) bands (ev): -10.7450 -10.7450 -10.7450 -10.7450 -10.6436 -10.6436 -10.6436 -10.6436 -1.1237 -1.1237 -1.1237 -1.1237 -0.8673 -0.8673 -0.8673 -0.8673 -0.1873 -0.1873 -0.1873 -0.1873 -0.1458 -0.1458 -0.1458 -0.1458 -0.0560 -0.0560 -0.0560 -0.0560 0.0405 0.0405 0.0406 0.0406 1.2326 1.2326 1.2326 1.2326 2.7566 2.7566 2.7566 2.7566 3.3226 3.3226 3.3226 3.3226 k = 0.0363 0.0370 0.0914 ( 14986 PWs) bands (ev): -10.7537 -10.7537 -10.7537 -10.7537 -10.6513 -10.6513 -10.6513 -10.6513 -1.1218 -1.1218 -1.1218 -1.1218 -0.8551 -0.8551 -0.8551 -0.8551 -0.1364 -0.1364 -0.1363 -0.1363 -0.1011 -0.1011 -0.1011 -0.1011 -0.0144 -0.0144 -0.0144 -0.0144 0.1051 0.1051 0.1051 0.1051 1.1583 1.1583 1.1583 1.1583 2.7071 2.7071 2.7071 2.7071 3.3129 3.3129 3.3129 3.3129 k = 0.0272 0.0278 0.0914 ( 14982 PWs) bands (ev): -10.7606 -10.7606 -10.7606 -10.7606 -10.6573 -10.6573 -10.6573 -10.6573 -1.1203 -1.1203 -1.1203 -1.1203 -0.8460 -0.8460 -0.8460 -0.8460 -0.1021 -0.1021 -0.1021 -0.1021 -0.0627 -0.0627 -0.0627 -0.0627 0.0269 0.0269 0.0269 0.0269 0.1591 0.1591 0.1591 0.1591 1.0961 1.0961 1.0961 1.0961 2.6680 2.6680 2.6680 2.6680 3.3054 3.3054 3.3054 3.3054 k = 0.0181 0.0185 0.0914 ( 14990 PWs) bands (ev): -10.7656 -10.7656 -10.7656 -10.7656 -10.6617 -10.6617 -10.6617 -10.6617 -1.1191 -1.1191 -1.1191 -1.1191 -0.8396 -0.8396 -0.8396 -0.8396 -0.0811 -0.0811 -0.0811 -0.0811 -0.0322 -0.0322 -0.0322 -0.0322 0.0614 0.0614 0.0614 0.0614 0.1998 0.1998 0.1998 0.1998 1.0484 1.0484 1.0484 1.0484 2.6397 2.6397 2.6397 2.6397 3.3000 3.3000 3.3000 3.3000 k = 0.0091 0.0093 0.0914 ( 14974 PWs) bands (ev): -10.7686 -10.7686 -10.7686 -10.7686 -10.6643 -10.6643 -10.6643 -10.6643 -1.1185 -1.1185 -1.1185 -1.1185 -0.8359 -0.8359 -0.8359 -0.8359 -0.0696 -0.0696 -0.0696 -0.0696 -0.0125 -0.0125 -0.0125 -0.0125 0.0840 0.0840 0.0840 0.0840 0.2253 0.2253 0.2253 0.2253 1.0183 1.0183 1.0183 1.0183 2.6225 2.6225 2.6225 2.6225 3.2968 3.2968 3.2968 3.2968 k = 0.0000 0.0000 0.0914 ( 14978 PWs) bands (ev): -10.7696 -10.7696 -10.7696 -10.7696 -10.6652 -10.6652 -10.6652 -10.6652 -1.1182 -1.1182 -1.1182 -1.1182 -0.8346 -0.8346 -0.8346 -0.8346 -0.0659 -0.0659 -0.0659 -0.0659 -0.0058 -0.0058 -0.0058 -0.0058 0.0919 0.0919 0.0919 0.0919 0.2339 0.2339 0.2339 0.2339 1.0079 1.0079 1.0079 1.0079 2.6167 2.6167 2.6167 2.6167 3.2957 3.2957 3.2957 3.2957 k = 0.0000 0.0000 0.0914 ( 14978 PWs) bands (ev): -10.7696 -10.7696 -10.7696 -10.7696 -10.6652 -10.6652 -10.6652 -10.6652 -1.1182 -1.1182 -1.1182 -1.1182 -0.8346 -0.8346 -0.8346 -0.8346 -0.0659 -0.0659 -0.0659 -0.0659 -0.0058 -0.0058 -0.0058 -0.0058 0.0919 0.0919 0.0919 0.0919 0.2339 0.2339 0.2339 0.2339 1.0079 1.0079 1.0079 1.0079 2.6167 2.6167 2.6167 2.6167 3.2957 3.2957 3.2957 3.2957 k = 0.0000 0.0000 0.0800 ( 14980 PWs) bands (ev): -10.7696 -10.7696 -10.7696 -10.7696 -10.6652 -10.6652 -10.6652 -10.6652 -1.1192 -1.1192 -1.1172 -1.1172 -0.8351 -0.8351 -0.8342 -0.8342 -0.0659 -0.0659 -0.0659 -0.0659 -0.0058 -0.0058 -0.0058 -0.0058 0.0919 0.0919 0.0919 0.0919 0.2339 0.2339 0.2339 0.2339 1.0079 1.0079 1.0080 1.0080 2.6167 2.6167 2.6168 2.6168 3.2620 3.2620 3.3325 3.3325 k = 0.0000 0.0000 0.0686 ( 14989 PWs) bands (ev): -10.7696 -10.7696 -10.7696 -10.7696 -10.6652 -10.6652 -10.6652 -10.6652 -1.1202 -1.1202 -1.1163 -1.1163 -0.8355 -0.8355 -0.8338 -0.8338 -0.0659 -0.0659 -0.0659 -0.0659 -0.0058 -0.0058 -0.0058 -0.0058 0.0919 0.0919 0.0919 0.0919 0.2339 0.2339 0.2339 0.2339 1.0079 1.0079 1.0080 1.0080 2.6167 2.6167 2.6168 2.6168 3.2319 3.2319 3.3713 3.3713 k = 0.0000 0.0000 0.0572 ( 14975 PWs) bands (ev): -10.7696 -10.7696 -10.7696 -10.7696 -10.6652 -10.6652 -10.6652 -10.6652 -1.1210 -1.1210 -1.1154 -1.1154 -0.8359 -0.8359 -0.8334 -0.8334 -0.0659 -0.0659 -0.0659 -0.0659 -0.0058 -0.0058 -0.0058 -0.0058 0.0919 0.0919 0.0919 0.0919 0.2339 0.2339 0.2339 0.2339 1.0079 1.0079 1.0080 1.0080 2.6167 2.6167 2.6168 2.6168 3.2059 3.2059 3.4110 3.4110 k = 0.0000 0.0000 0.0457 ( 14983 PWs) bands (ev): -10.7696 -10.7696 -10.7696 -10.7696 -10.6652 -10.6652 -10.6652 -10.6652 -1.1218 -1.1218 -1.1146 -1.1146 -0.8362 -0.8362 -0.8331 -0.8331 -0.0659 -0.0659 -0.0659 -0.0659 -0.0058 -0.0058 -0.0058 -0.0058 0.0919 0.0919 0.0919 0.0919 0.2339 0.2339 0.2339 0.2339 1.0079 1.0079 1.0080 1.0080 2.6167 2.6167 2.6168 2.6168 3.1843 3.1843 3.4497 3.4497 k = 0.0000 0.0000 0.0343 ( 14981 PWs) bands (ev): -10.7696 -10.7696 -10.7696 -10.7696 -10.6652 -10.6652 -10.6652 -10.6652 -1.1224 -1.1224 -1.1140 -1.1140 -0.8365 -0.8365 -0.8328 -0.8328 -0.0659 -0.0659 -0.0659 -0.0659 -0.0058 -0.0058 -0.0058 -0.0058 0.0919 0.0919 0.0919 0.0919 0.2339 0.2339 0.2339 0.2339 1.0079 1.0079 1.0080 1.0080 2.6167 2.6167 2.6168 2.6168 3.1672 3.1672 3.4847 3.4847 k = 0.0000 0.0000 0.0229 ( 14975 PWs) bands (ev): -10.7696 -10.7696 -10.7696 -10.7696 -10.6652 -10.6652 -10.6652 -10.6652 -1.1229 -1.1229 -1.1135 -1.1135 -0.8367 -0.8367 -0.8326 -0.8326 -0.0659 -0.0659 -0.0659 -0.0659 -0.0058 -0.0058 -0.0057 -0.0057 0.0919 0.0919 0.0919 0.0919 0.2339 0.2339 0.2340 0.2340 1.0079 1.0079 1.0080 1.0080 2.6167 2.6167 2.6168 2.6168 3.1549 3.1549 3.5127 3.5127 k = 0.0000 0.0000 0.0114 ( 14979 PWs) bands (ev): -10.7696 -10.7696 -10.7696 -10.7696 -10.6652 -10.6652 -10.6652 -10.6652 -1.1232 -1.1232 -1.1132 -1.1132 -0.8369 -0.8369 -0.8325 -0.8325 -0.0659 -0.0659 -0.0659 -0.0659 -0.0058 -0.0058 -0.0057 -0.0057 0.0919 0.0919 0.0919 0.0919 0.2339 0.2339 0.2340 0.2340 1.0079 1.0079 1.0080 1.0080 2.6167 2.6167 2.6168 2.6168 3.1475 3.1475 3.5305 3.5305 k = 0.0000 0.0000 0.0000 ( 14971 PWs) bands (ev): -10.7696 -10.7696 -10.7696 -10.7696 -10.6652 -10.6652 -10.6652 -10.6652 -1.1233 -1.1233 -1.1131 -1.1131 -0.8369 -0.8369 -0.8325 -0.8325 -0.0659 -0.0659 -0.0659 -0.0659 -0.0058 -0.0058 -0.0057 -0.0057 0.0919 0.0919 0.0919 0.0919 0.2339 0.2339 0.2340 0.2340 1.0079 1.0079 1.0080 1.0080 2.6167 2.6167 2.6168 2.6168 3.1450 3.1450 3.5365 3.5365 k = 0.0000 0.0000 0.0000 ( 14971 PWs) bands (ev): -10.7696 -10.7696 -10.7696 -10.7696 -10.6652 -10.6652 -10.6652 -10.6652 -1.1233 -1.1233 -1.1131 -1.1131 -0.8369 -0.8369 -0.8325 -0.8325 -0.0659 -0.0659 -0.0659 -0.0659 -0.0058 -0.0058 -0.0057 -0.0057 0.0919 0.0919 0.0919 0.0919 0.2339 0.2339 0.2340 0.2340 1.0079 1.0079 1.0080 1.0080 2.6167 2.6167 2.6168 2.6168 3.1450 3.1450 3.5365 3.5365 k =-0.0093 0.0091 0.0000 ( 14991 PWs) bands (ev): -10.7687 -10.7687 -10.7687 -10.7687 -10.6644 -10.6644 -10.6644 -10.6644 -1.1234 -1.1234 -1.1132 -1.1132 -0.8380 -0.8380 -0.8336 -0.8336 -0.0733 -0.0733 -0.0733 -0.0733 -0.0128 -0.0128 -0.0128 -0.0128 0.0880 0.0880 0.0880 0.0880 0.2262 0.2262 0.2262 0.2262 1.0183 1.0183 1.0184 1.0184 2.6222 2.6222 2.6222 2.6222 3.1462 3.1462 3.5369 3.5369 k =-0.0185 0.0181 0.0000 ( 14991 PWs) bands (ev): -10.7661 -10.7661 -10.7661 -10.7661 -10.6622 -10.6622 -10.6622 -10.6622 -1.1239 -1.1239 -1.1137 -1.1137 -0.8413 -0.8413 -0.8370 -0.8370 -0.0957 -0.0957 -0.0957 -0.0957 -0.0335 -0.0335 -0.0335 -0.0335 0.0771 0.0771 0.0772 0.0772 0.2038 0.2038 0.2039 0.2039 1.0485 1.0485 1.0485 1.0485 2.6384 2.6384 2.6385 2.6385 3.1495 3.1495 3.5381 3.5381 k =-0.0278 0.0272 0.0000 ( 14971 PWs) bands (ev): -10.7618 -10.7618 -10.7618 -10.7618 -10.6585 -10.6585 -10.6585 -10.6585 -1.1246 -1.1246 -1.1145 -1.1145 -0.8470 -0.8470 -0.8428 -0.8428 -0.1331 -0.1331 -0.1330 -0.1330 -0.0672 -0.0672 -0.0671 -0.0671 0.0608 0.0608 0.0609 0.0609 0.1696 0.1696 0.1696 0.1696 1.0957 1.0957 1.0957 1.0957 2.6653 2.6653 2.6654 2.6654 3.1552 3.1552 3.5392 3.5392 k =-0.0370 0.0362 0.0000 ( 14967 PWs) bands (ev): -10.7558 -10.7558 -10.7558 -10.7558 -10.6533 -10.6533 -10.6533 -10.6533 -1.1256 -1.1256 -1.1157 -1.1157 -0.8553 -0.8553 -0.8512 -0.8512 -0.1846 -0.1846 -0.1843 -0.1843 -0.1128 -0.1128 -0.1128 -0.1128 0.0406 0.0406 0.0407 0.0407 0.1268 0.1268 0.1268 0.1268 1.1569 1.1569 1.1570 1.1570 2.7025 2.7025 2.7025 2.7025 3.1630 3.1630 3.5391 3.5391 k =-0.0463 0.0453 0.0000 ( 14975 PWs) bands (ev): -10.7482 -10.7482 -10.7482 -10.7482 -10.6468 -10.6468 -10.6468 -10.6468 -1.1270 -1.1270 -1.1171 -1.1171 -0.8666 -0.8666 -0.8626 -0.8626 -0.2479 -0.2479 -0.2475 -0.2475 -0.1695 -0.1695 -0.1694 -0.1694 0.0176 0.0176 0.0177 0.0177 0.0785 0.0785 0.0785 0.0785 1.2294 1.2294 1.2294 1.2294 2.7494 2.7494 2.7495 2.7495 3.1731 3.1731 3.5352 3.5352 k =-0.0556 0.0544 0.0000 ( 14959 PWs) bands (ev): -10.7391 -10.7391 -10.7390 -10.7390 -10.6390 -10.6390 -10.6389 -10.6389 -1.1286 -1.1286 -1.1189 -1.1189 -0.8815 -0.8815 -0.8778 -0.8778 -0.3201 -0.3201 -0.3195 -0.3195 -0.2358 -0.2358 -0.2357 -0.2357 -0.0078 -0.0078 -0.0077 -0.0077 0.0274 0.0274 0.0274 0.0274 1.3110 1.3110 1.3110 1.3110 2.8055 2.8055 2.8056 2.8056 3.1853 3.1853 3.5248 3.5248 k =-0.0648 0.0634 0.0000 ( 14949 PWs) bands (ev): -10.7285 -10.7285 -10.7285 -10.7285 -10.6299 -10.6299 -10.6299 -10.6299 -1.1307 -1.1307 -1.1212 -1.1212 -0.9009 -0.9009 -0.8976 -0.8976 -0.3977 -0.3977 -0.3969 -0.3969 -0.3105 -0.3105 -0.3103 -0.3103 -0.0359 -0.0359 -0.0358 -0.0358 -0.0235 -0.0235 -0.0235 -0.0235 1.4000 1.4000 1.4000 1.4000 2.8704 2.8704 2.8705 2.8705 3.1997 3.1997 3.5071 3.5071 k =-0.0741 0.0725 0.0000 ( 14945 PWs) bands (ev): -10.7166 -10.7166 -10.7166 -10.7166 -10.6197 -10.6197 -10.6197 -10.6197 -1.1333 -1.1333 -1.1240 -1.1240 -0.9264 -0.9264 -0.9235 -0.9235 -0.4771 -0.4771 -0.4761 -0.4761 -0.3914 -0.3914 -0.3912 -0.3912 -0.0777 -0.0777 -0.0777 -0.0777 -0.0617 -0.0617 -0.0616 -0.0616 1.4954 1.4954 1.4954 1.4954 2.9433 2.9433 2.9434 2.9434 3.2161 3.2161 3.4830 3.4830 k =-0.0833 0.0815 0.0000 ( 14935 PWs) bands (ev): -10.7035 -10.7035 -10.7034 -10.7034 -10.6085 -10.6085 -10.6084 -10.6084 -1.1367 -1.1367 -1.1276 -1.1276 -0.9600 -0.9600 -0.9576 -0.9576 -0.5547 -0.5547 -0.5534 -0.5534 -0.4759 -0.4759 -0.4756 -0.4756 -0.1271 -0.1271 -0.1270 -0.1270 -0.0922 -0.0922 -0.0921 -0.0921 1.5962 1.5962 1.5962 1.5962 3.0236 3.0236 3.0237 3.0237 3.2345 3.2345 3.4540 3.4540 k =-0.0926 0.0906 0.0000 ( 14947 PWs) bands (ev): -10.6893 -10.6893 -10.6892 -10.6892 -10.5963 -10.5963 -10.5963 -10.5963 -1.1414 -1.1414 -1.1327 -1.1327 -1.0035 -1.0035 -1.0018 -1.0018 -0.6283 -0.6283 -0.6269 -0.6269 -0.5599 -0.5599 -0.5592 -0.5592 -0.1749 -0.1749 -0.1749 -0.1749 -0.1230 -0.1230 -0.1230 -0.1230 1.7017 1.7017 1.7018 1.7018 3.1106 3.1106 3.1107 3.1107 3.2545 3.2545 3.4215 3.4215 k =-0.1019 0.0997 0.0000 ( 14927 PWs) bands (ev): -10.6741 -10.6741 -10.6741 -10.6741 -10.5834 -10.5834 -10.5834 -10.5834 -1.1488 -1.1488 -1.1407 -1.1407 -1.0576 -1.0576 -1.0568 -1.0568 -0.7000 -0.7000 -0.6990 -0.6990 -0.6359 -0.6359 -0.6344 -0.6344 -0.2207 -0.2207 -0.2206 -0.2206 -0.1543 -0.1543 -0.1543 -0.1543 1.8115 1.8115 1.8115 1.8115 3.2027 3.2027 3.2030 3.2030 3.2757 3.2757 3.3872 3.3872 k =-0.1111 0.1087 0.0000 ( 14921 PWs) bands (ev): -10.6582 -10.6582 -10.6582 -10.6582 -10.5699 -10.5699 -10.5699 -10.5699 -1.1637 -1.1637 -1.1578 -1.1578 -1.1182 -1.1182 -1.1167 -1.1167 -0.7751 -0.7751 -0.7747 -0.7747 -0.6947 -0.6947 -0.6922 -0.6922 -0.2641 -0.2641 -0.2641 -0.2641 -0.1859 -0.1859 -0.1858 -0.1858 1.9250 1.9250 1.9250 1.9250 3.2810 3.2810 3.2914 3.2914 3.3088 3.3088 3.3603 3.3603 k =-0.1204 0.1178 0.0000 ( 14913 PWs) bands (ev): -10.6417 -10.6417 -10.6417 -10.6417 -10.5559 -10.5559 -10.5559 -10.5559 -1.2110 -1.2110 -1.2104 -1.2104 -1.1610 -1.1610 -1.1546 -1.1546 -0.8504 -0.8504 -0.8500 -0.8500 -0.7370 -0.7370 -0.7340 -0.7340 -0.3052 -0.3052 -0.3051 -0.3051 -0.2173 -0.2173 -0.2172 -0.2172 2.0416 2.0416 2.0416 2.0416 3.2829 3.2829 3.2957 3.2957 3.3517 3.3517 3.4216 3.4219 k =-0.1296 0.1269 0.0000 ( 14937 PWs) bands (ev): -10.6248 -10.6248 -10.6248 -10.6248 -10.5416 -10.5416 -10.5416 -10.5416 -1.2860 -1.2860 -1.2859 -1.2859 -1.1910 -1.1910 -1.1847 -1.1847 -0.9168 -0.9168 -0.9155 -0.9155 -0.7687 -0.7687 -0.7655 -0.7655 -0.3438 -0.3438 -0.3438 -0.3438 -0.2484 -0.2484 -0.2483 -0.2483 2.1606 2.1606 2.1606 2.1606 3.2538 3.2538 3.2586 3.2586 3.3731 3.3731 3.5282 3.5282 k =-0.1389 0.1359 0.0000 ( 14923 PWs) bands (ev): -10.6077 -10.6077 -10.6077 -10.6077 -10.5272 -10.5272 -10.5272 -10.5272 -1.3655 -1.3655 -1.3654 -1.3654 -1.2326 -1.2326 -1.2276 -1.2276 -0.9664 -0.9664 -0.9639 -0.9639 -0.7937 -0.7937 -0.7905 -0.7905 -0.3800 -0.3800 -0.3800 -0.3800 -0.2789 -0.2789 -0.2788 -0.2788 2.2811 2.2811 2.2811 2.2811 3.2166 3.2166 3.2189 3.2189 3.4011 3.4011 3.6426 3.6427 k =-0.1481 0.1450 0.0000 ( 14921 PWs) bands (ev): -10.5905 -10.5905 -10.5905 -10.5905 -10.5128 -10.5128 -10.5128 -10.5128 -1.4446 -1.4446 -1.4446 -1.4446 -1.2889 -1.2889 -1.2853 -1.2853 -0.9971 -0.9971 -0.9935 -0.9935 -0.8142 -0.8142 -0.8110 -0.8110 -0.4138 -0.4138 -0.4137 -0.4137 -0.3087 -0.3087 -0.3086 -0.3086 2.4014 2.4014 2.4015 2.4015 3.1792 3.1792 3.1806 3.1806 3.4323 3.4323 3.7618 3.7619 k =-0.1574 0.1540 0.0000 ( 14925 PWs) bands (ev): -10.5735 -10.5735 -10.5734 -10.5734 -10.4986 -10.4986 -10.4986 -10.4986 -1.5212 -1.5212 -1.5211 -1.5211 -1.3551 -1.3551 -1.3524 -1.3524 -1.0131 -1.0131 -1.0087 -1.0087 -0.8316 -0.8316 -0.8285 -0.8285 -0.4451 -0.4451 -0.4451 -0.4451 -0.3375 -0.3375 -0.3374 -0.3374 2.5185 2.5185 2.5185 2.5185 3.1462 3.1462 3.1474 3.1474 3.4655 3.4655 3.8261 3.8261 k =-0.1667 0.1631 0.0000 ( 14929 PWs) bands (ev): -10.5568 -10.5568 -10.5568 -10.5568 -10.4848 -10.4848 -10.4848 -10.4848 -1.5936 -1.5936 -1.5936 -1.5936 -1.4251 -1.4251 -1.4231 -1.4231 -1.0196 -1.0196 -1.0148 -1.0148 -0.8466 -0.8466 -0.8436 -0.8436 -0.4741 -0.4741 -0.4741 -0.4741 -0.3652 -0.3652 -0.3651 -0.3651 2.6255 2.6255 2.6256 2.6256 3.1249 3.1249 3.1261 3.1261 3.5002 3.5002 3.8531 3.8531 k =-0.1759 0.1722 0.0000 ( 14927 PWs) bands (ev): -10.5406 -10.5406 -10.5406 -10.5406 -10.4715 -10.4715 -10.4715 -10.4715 -1.6610 -1.6610 -1.6610 -1.6610 -1.4947 -1.4947 -1.4931 -1.4931 -1.0202 -1.0202 -1.0152 -1.0152 -0.8597 -0.8597 -0.8568 -0.8568 -0.5008 -0.5008 -0.5008 -0.5008 -0.3918 -0.3918 -0.3916 -0.3916 2.7093 2.7093 2.7095 2.7095 3.1289 3.1289 3.1301 3.1301 3.5358 3.5358 3.8796 3.8796 k =-0.1852 0.1812 0.0000 ( 14925 PWs) bands (ev): -10.5252 -10.5252 -10.5252 -10.5252 -10.4590 -10.4590 -10.4590 -10.4590 -1.7225 -1.7225 -1.7225 -1.7225 -1.5613 -1.5613 -1.5599 -1.5599 -1.0167 -1.0167 -1.0117 -1.0117 -0.8710 -0.8710 -0.8682 -0.8682 -0.5252 -0.5252 -0.5252 -0.5252 -0.4170 -0.4170 -0.4169 -0.4169 2.7527 2.7527 2.7533 2.7533 3.1754 3.1754 3.1764 3.1764 3.5719 3.5719 3.9051 3.9051 k =-0.1944 0.1903 0.0000 ( 14921 PWs) bands (ev): -10.5106 -10.5106 -10.5106 -10.5106 -10.4474 -10.4474 -10.4474 -10.4474 -1.7775 -1.7775 -1.7775 -1.7775 -1.6233 -1.6233 -1.6221 -1.6221 -1.0102 -1.0102 -1.0054 -1.0054 -0.8808 -0.8808 -0.8781 -0.8781 -0.5474 -0.5474 -0.5474 -0.5474 -0.4409 -0.4409 -0.4408 -0.4408 2.7548 2.7548 2.7557 2.7557 3.2656 3.2656 3.2664 3.2664 3.6078 3.6078 3.9286 3.9286 k =-0.2037 0.1993 0.0000 ( 14924 PWs) bands (ev): -10.4971 -10.4971 -10.4971 -10.4971 -10.4369 -10.4369 -10.4368 -10.4368 -1.8256 -1.8256 -1.8255 -1.8255 -1.6798 -1.6798 -1.6787 -1.6787 -1.0015 -1.0015 -0.9968 -0.9968 -0.8891 -0.8891 -0.8866 -0.8866 -0.5675 -0.5675 -0.5674 -0.5674 -0.4634 -0.4634 -0.4632 -0.4632 2.7311 2.7311 2.7322 2.7322 3.3839 3.3839 3.3845 3.3845 3.6425 3.6425 3.9486 3.9486 k =-0.2130 0.2084 0.0000 ( 14926 PWs) bands (ev): -10.4848 -10.4848 -10.4848 -10.4848 -10.4275 -10.4275 -10.4274 -10.4274 -1.8663 -1.8663 -1.8663 -1.8663 -1.7300 -1.7300 -1.7290 -1.7290 -0.9907 -0.9907 -0.9862 -0.9862 -0.8959 -0.8959 -0.8935 -0.8935 -0.5855 -0.5855 -0.5854 -0.5854 -0.4843 -0.4843 -0.4842 -0.4842 2.6946 2.6946 2.6959 2.6959 3.5174 3.5174 3.5179 3.5179 3.6748 3.6748 3.9635 3.9635 k =-0.2222 0.2175 0.0000 ( 14926 PWs) bands (ev): -10.4739 -10.4739 -10.4738 -10.4738 -10.4194 -10.4194 -10.4193 -10.4193 -1.8995 -1.8995 -1.8995 -1.8995 -1.7733 -1.7733 -1.7725 -1.7725 -0.9782 -0.9782 -0.9738 -0.9738 -0.9013 -0.9013 -0.8989 -0.8989 -0.6014 -0.6014 -0.6014 -0.6014 -0.5038 -0.5038 -0.5037 -0.5037 2.6518 2.6518 2.6533 2.6533 3.6594 3.6594 3.6599 3.6599 3.7033 3.7033 3.9707 3.9707 k =-0.2315 0.2265 0.0000 ( 14906 PWs) bands (ev): -10.4643 -10.4643 -10.4643 -10.4643 -10.4127 -10.4127 -10.4126 -10.4126 -1.9250 -1.9250 -1.9249 -1.9249 -1.8096 -1.8096 -1.8087 -1.8087 -0.9641 -0.9641 -0.9600 -0.9600 -0.9051 -0.9051 -0.9028 -0.9028 -0.6155 -0.6155 -0.6154 -0.6154 -0.5218 -0.5218 -0.5216 -0.5216 2.6059 2.6059 2.6075 2.6075 3.7250 3.7250 3.8069 3.8069 3.8077 3.8077 3.9676 3.9676 k =-0.2407 0.2356 0.0000 ( 14906 PWs) bands (ev): -10.4563 -10.4563 -10.4562 -10.4562 -10.4074 -10.4074 -10.4074 -10.4074 -1.9426 -1.9426 -1.9425 -1.9425 -1.8384 -1.8384 -1.8376 -1.8376 -0.9487 -0.9487 -0.9447 -0.9447 -0.9073 -0.9073 -0.9052 -0.9052 -0.6276 -0.6276 -0.6276 -0.6276 -0.5383 -0.5383 -0.5381 -0.5381 2.5585 2.5585 2.5602 2.5602 3.7376 3.7376 3.9438 3.9438 3.9590 3.9590 3.9650 3.9650 k =-0.2500 0.2446 0.0000 ( 14918 PWs) bands (ev): -10.4498 -10.4498 -10.4498 -10.4498 -10.4037 -10.4037 -10.4037 -10.4037 -1.9523 -1.9523 -1.9523 -1.9523 -1.8597 -1.8597 -1.8589 -1.8589 -0.9321 -0.9321 -0.9284 -0.9284 -0.9077 -0.9077 -0.9057 -0.9057 -0.6380 -0.6380 -0.6380 -0.6380 -0.5532 -0.5532 -0.5530 -0.5530 2.5105 2.5105 2.5122 2.5122 3.7370 3.7370 3.9152 3.9152 4.1131 4.1131 4.1139 4.1139 k =-0.2593 0.2537 0.0000 ( 14926 PWs) bands (ev): -10.4449 -10.4449 -10.4449 -10.4449 -10.4016 -10.4016 -10.4016 -10.4016 -1.9542 -1.9542 -1.9542 -1.9542 -1.8734 -1.8734 -1.8726 -1.8726 -0.9153 -0.9153 -0.9129 -0.9129 -0.9045 -0.9045 -0.9037 -0.9037 -0.6467 -0.6467 -0.6467 -0.6467 -0.5666 -0.5666 -0.5664 -0.5664 2.4624 2.4624 2.4643 2.4643 3.7194 3.7194 3.8629 3.8629 4.2693 4.2693 4.2700 4.2700 k =-0.2685 0.2628 0.0000 ( 14922 PWs) bands (ev): -10.4416 -10.4416 -10.4416 -10.4416 -10.4010 -10.4010 -10.4010 -10.4010 -1.9485 -1.9485 -1.9484 -1.9484 -1.8794 -1.8794 -1.8787 -1.8787 -0.9063 -0.9063 -0.9052 -0.9052 -0.8923 -0.8923 -0.8897 -0.8897 -0.6538 -0.6538 -0.6537 -0.6537 -0.5786 -0.5786 -0.5784 -0.5784 2.4148 2.4148 2.4167 2.4167 3.6818 3.6818 3.7926 3.7926 4.4265 4.4265 4.4277 4.4277 k =-0.2778 0.2718 0.0000 ( 14914 PWs) bands (ev): -10.4400 -10.4400 -10.4400 -10.4400 -10.4020 -10.4020 -10.4020 -10.4020 -1.9351 -1.9351 -1.9351 -1.9351 -1.8780 -1.8780 -1.8773 -1.8773 -0.9017 -0.9017 -0.9002 -0.9002 -0.8732 -0.8732 -0.8704 -0.8704 -0.6594 -0.6594 -0.6593 -0.6593 -0.5890 -0.5890 -0.5888 -0.5888 2.3679 2.3679 2.3698 2.3698 3.6240 3.6240 3.7070 3.7070 4.5820 4.5820 4.5863 4.5863 k =-0.2870 0.2809 0.0000 ( 14898 PWs) bands (ev): -10.4399 -10.4399 -10.4399 -10.4399 -10.4045 -10.4045 -10.4045 -10.4045 -1.9146 -1.9146 -1.9145 -1.9145 -1.8692 -1.8692 -1.8685 -1.8685 -0.8958 -0.8958 -0.8943 -0.8943 -0.8527 -0.8527 -0.8500 -0.8500 -0.6635 -0.6635 -0.6634 -0.6634 -0.5980 -0.5980 -0.5977 -0.5977 2.3219 2.3219 2.3239 2.3239 3.5482 3.5482 3.6094 3.6094 4.6842 4.6842 4.7443 4.7443 k =-0.2963 0.2899 0.0000 ( 14900 PWs) bands (ev): -10.4412 -10.4412 -10.4412 -10.4412 -10.4085 -10.4085 -10.4085 -10.4085 -1.8870 -1.8870 -1.8869 -1.8869 -1.8532 -1.8532 -1.8525 -1.8525 -0.8883 -0.8883 -0.8869 -0.8869 -0.8315 -0.8315 -0.8290 -0.8290 -0.6663 -0.6663 -0.6662 -0.6662 -0.6054 -0.6054 -0.6052 -0.6052 2.2770 2.2770 2.2790 2.2790 3.4583 3.4583 3.5034 3.5034 4.7076 4.7076 4.8903 4.8903 k =-0.3056 0.2990 0.0000 ( 14904 PWs) bands (ev): -10.4440 -10.4440 -10.4440 -10.4440 -10.4138 -10.4138 -10.4138 -10.4138 -1.8529 -1.8529 -1.8528 -1.8528 -1.8302 -1.8302 -1.8296 -1.8296 -0.8793 -0.8793 -0.8780 -0.8780 -0.8100 -0.8100 -0.8077 -0.8077 -0.6678 -0.6678 -0.6677 -0.6677 -0.6112 -0.6112 -0.6110 -0.6110 2.2333 2.2333 2.2354 2.2354 3.3582 3.3582 3.3918 3.3918 4.7374 4.7374 4.9471 4.9471 k =-0.3148 0.3081 0.0000 ( 14904 PWs) bands (ev): -10.4481 -10.4481 -10.4481 -10.4481 -10.4203 -10.4203 -10.4203 -10.4203 -1.8126 -1.8126 -1.8125 -1.8125 -1.8008 -1.8008 -1.8001 -1.8001 -0.8687 -0.8687 -0.8674 -0.8674 -0.7885 -0.7885 -0.7865 -0.7865 -0.6681 -0.6681 -0.6680 -0.6680 -0.6154 -0.6154 -0.6152 -0.6152 2.1911 2.1911 2.1933 2.1933 3.2516 3.2516 3.2770 3.2770 4.7758 4.7758 4.9815 4.9815 k =-0.3241 0.3171 0.0000 ( 14914 PWs) bands (ev): -10.4533 -10.4533 -10.4533 -10.4533 -10.4279 -10.4279 -10.4279 -10.4279 -1.7671 -1.7671 -1.7670 -1.7670 -1.7646 -1.7646 -1.7641 -1.7641 -0.8566 -0.8566 -0.8554 -0.8554 -0.7676 -0.7676 -0.7658 -0.7658 -0.6672 -0.6672 -0.6672 -0.6672 -0.6178 -0.6178 -0.6175 -0.6175 2.1504 2.1504 2.1526 2.1526 3.1413 3.1413 3.1608 3.1608 4.8205 4.8205 5.0179 5.0179 k =-0.3333 0.3262 0.0000 ( 14928 PWs) bands (ev): -10.4596 -10.4596 -10.4595 -10.4595 -10.4366 -10.4366 -10.4366 -10.4366 -1.7241 -1.7241 -1.7235 -1.7235 -1.7153 -1.7153 -1.7152 -1.7152 -0.8430 -0.8430 -0.8419 -0.8419 -0.7477 -0.7477 -0.7461 -0.7461 -0.6654 -0.6654 -0.6653 -0.6653 -0.6180 -0.6180 -0.6177 -0.6177 2.1113 2.1113 2.1135 2.1135 3.0294 3.0294 3.0446 3.0446 4.8695 4.8695 5.0566 5.0566 k =-0.3426 0.3352 0.0000 ( 14932 PWs) bands (ev): -10.4667 -10.4667 -10.4667 -10.4667 -10.4460 -10.4460 -10.4460 -10.4460 -1.6776 -1.6776 -1.6769 -1.6769 -1.6599 -1.6599 -1.6598 -1.6598 -0.8281 -0.8281 -0.8271 -0.8271 -0.7294 -0.7294 -0.7282 -0.7282 -0.6626 -0.6626 -0.6625 -0.6625 -0.6157 -0.6157 -0.6153 -0.6153 2.0740 2.0740 2.0762 2.0762 2.9174 2.9174 2.9295 2.9295 4.9213 4.9213 5.0966 5.0966 k =-0.3519 0.3443 0.0000 ( 14926 PWs) bands (ev): -10.4745 -10.4745 -10.4745 -10.4745 -10.4561 -10.4561 -10.4561 -10.4561 -1.6265 -1.6265 -1.6259 -1.6259 -1.6006 -1.6006 -1.6005 -1.6005 -0.8120 -0.8120 -0.8111 -0.8111 -0.7136 -0.7136 -0.7127 -0.7127 -0.6590 -0.6590 -0.6590 -0.6590 -0.6104 -0.6104 -0.6099 -0.6099 2.0384 2.0384 2.0406 2.0406 2.8066 2.8066 2.8163 2.8163 4.9746 4.9746 5.1372 5.1372 k =-0.3611 0.3534 0.0000 ( 14930 PWs) bands (ev): -10.4830 -10.4830 -10.4829 -10.4829 -10.4667 -10.4667 -10.4667 -10.4667 -1.5715 -1.5715 -1.5708 -1.5708 -1.5383 -1.5383 -1.5382 -1.5382 -0.7950 -0.7950 -0.7941 -0.7941 -0.7004 -0.7004 -0.6999 -0.6999 -0.6549 -0.6549 -0.6548 -0.6548 -0.6019 -0.6019 -0.6013 -0.6013 2.0046 2.0046 2.0069 2.0069 2.6980 2.6980 2.7059 2.7059 5.0283 5.0283 5.1776 5.1776 k =-0.3704 0.3624 0.0000 ( 14930 PWs) bands (ev): -10.4918 -10.4918 -10.4917 -10.4917 -10.4776 -10.4776 -10.4776 -10.4776 -1.5131 -1.5131 -1.5124 -1.5124 -1.4737 -1.4737 -1.4736 -1.4736 -0.7772 -0.7772 -0.7764 -0.7764 -0.6900 -0.6900 -0.6896 -0.6896 -0.6501 -0.6501 -0.6500 -0.6500 -0.5906 -0.5906 -0.5899 -0.5899 1.9728 1.9728 1.9751 1.9751 2.5922 2.5922 2.5988 2.5988 5.0814 5.0814 5.2174 5.2174 k =-0.3796 0.3715 0.0000 ( 14940 PWs) bands (ev): -10.5008 -10.5008 -10.5008 -10.5008 -10.4886 -10.4886 -10.4886 -10.4886 -1.4521 -1.4521 -1.4515 -1.4515 -1.4078 -1.4078 -1.4077 -1.4077 -0.7591 -0.7591 -0.7584 -0.7584 -0.6816 -0.6816 -0.6814 -0.6814 -0.6447 -0.6447 -0.6445 -0.6445 -0.5773 -0.5773 -0.5766 -0.5766 1.9430 1.9430 1.9453 1.9453 2.4902 2.4902 2.4956 2.4956 5.1334 5.1334 5.2559 5.2559 k =-0.3889 0.3806 0.0000 ( 14932 PWs) bands (ev): -10.5099 -10.5099 -10.5099 -10.5099 -10.4996 -10.4996 -10.4996 -10.4996 -1.3894 -1.3894 -1.3887 -1.3887 -1.3414 -1.3414 -1.3413 -1.3413 -0.7412 -0.7412 -0.7405 -0.7405 -0.6746 -0.6746 -0.6744 -0.6744 -0.6383 -0.6383 -0.6382 -0.6382 -0.5633 -0.5633 -0.5625 -0.5625 1.9152 1.9152 1.9175 1.9175 2.3923 2.3923 2.3969 2.3969 5.1834 5.1834 5.2926 5.2926 k =-0.3981 0.3896 0.0000 ( 14916 PWs) bands (ev): -10.5189 -10.5189 -10.5189 -10.5189 -10.5104 -10.5104 -10.5104 -10.5104 -1.3256 -1.3256 -1.3250 -1.3250 -1.2756 -1.2756 -1.2755 -1.2755 -0.7239 -0.7239 -0.7234 -0.7234 -0.6682 -0.6682 -0.6679 -0.6679 -0.6308 -0.6308 -0.6306 -0.6306 -0.5495 -0.5495 -0.5488 -0.5488 1.8894 1.8894 1.8918 1.8918 2.2994 2.2994 2.3033 2.3033 5.2309 5.2309 5.3266 5.3266 k =-0.4074 0.3987 0.0000 ( 14912 PWs) bands (ev): -10.5277 -10.5277 -10.5277 -10.5277 -10.5209 -10.5209 -10.5209 -10.5209 -1.2618 -1.2618 -1.2612 -1.2612 -1.2113 -1.2113 -1.2112 -1.2112 -0.7081 -0.7081 -0.7078 -0.7078 -0.6617 -0.6617 -0.6614 -0.6614 -0.6219 -0.6219 -0.6216 -0.6216 -0.5368 -0.5368 -0.5362 -0.5362 1.8658 1.8658 1.8682 1.8682 2.2118 2.2118 2.2151 2.2151 5.2755 5.2755 5.3568 5.3568 k =-0.4167 0.4077 0.0000 ( 14912 PWs) bands (ev): -10.5361 -10.5361 -10.5361 -10.5361 -10.5308 -10.5308 -10.5308 -10.5308 -1.1988 -1.1988 -1.1982 -1.1982 -1.1495 -1.1495 -1.1494 -1.1494 -0.6944 -0.6944 -0.6942 -0.6942 -0.6549 -0.6549 -0.6545 -0.6545 -0.6113 -0.6113 -0.6109 -0.6109 -0.5258 -0.5258 -0.5253 -0.5253 1.8443 1.8443 1.8467 1.8467 2.1302 2.1302 2.1331 2.1331 5.3166 5.3166 5.3813 5.3813 k =-0.4259 0.4168 0.0000 ( 14920 PWs) bands (ev): -10.5439 -10.5439 -10.5439 -10.5439 -10.5401 -10.5401 -10.5401 -10.5401 -1.1377 -1.1377 -1.1371 -1.1371 -1.0914 -1.0914 -1.0913 -1.0913 -0.6830 -0.6830 -0.6829 -0.6829 -0.6475 -0.6475 -0.6472 -0.6472 -0.5991 -0.5991 -0.5985 -0.5985 -0.5171 -0.5171 -0.5166 -0.5166 1.8250 1.8250 1.8274 1.8274 2.0550 2.0550 2.0576 2.0576 5.3540 5.3540 5.3996 5.3996 k =-0.4352 0.4259 0.0000 ( 14940 PWs) bands (ev): -10.5512 -10.5512 -10.5512 -10.5512 -10.5486 -10.5486 -10.5486 -10.5486 -1.0795 -1.0795 -1.0789 -1.0789 -1.0380 -1.0380 -1.0379 -1.0379 -0.6736 -0.6736 -0.6735 -0.6735 -0.6397 -0.6397 -0.6394 -0.6394 -0.5856 -0.5856 -0.5850 -0.5850 -0.5110 -0.5110 -0.5106 -0.5106 1.8079 1.8079 1.8104 1.8104 1.9870 1.9870 1.9892 1.9892 5.3874 5.3874 5.4152 5.4152 k =-0.4444 0.4349 0.0000 ( 14956 PWs) bands (ev): -10.5577 -10.5577 -10.5577 -10.5577 -10.5562 -10.5562 -10.5562 -10.5562 -1.0255 -1.0255 -1.0250 -1.0250 -0.9901 -0.9901 -0.9900 -0.9900 -0.6654 -0.6654 -0.6653 -0.6653 -0.6316 -0.6316 -0.6314 -0.6314 -0.5718 -0.5718 -0.5711 -0.5711 -0.5078 -0.5078 -0.5074 -0.5074 1.7931 1.7931 1.7955 1.7955 1.9265 1.9265 1.9285 1.9285 5.4168 5.4168 5.4318 5.4318 k =-0.4537 0.4440 0.0000 ( 14950 PWs) bands (ev): -10.5634 -10.5634 -10.5634 -10.5634 -10.5629 -10.5629 -10.5629 -10.5629 -0.9770 -0.9770 -0.9765 -0.9765 -0.9484 -0.9484 -0.9483 -0.9483 -0.6578 -0.6578 -0.6577 -0.6577 -0.6235 -0.6235 -0.6234 -0.6234 -0.5585 -0.5585 -0.5578 -0.5578 -0.5075 -0.5075 -0.5072 -0.5072 1.7805 1.7805 1.7829 1.7829 1.8742 1.8742 1.8760 1.8760 5.4424 5.4424 5.4510 5.4510 k =-0.4630 0.4530 0.0000 ( 14946 PWs) bands (ev): -10.5684 -10.5684 -10.5684 -10.5684 -10.5681 -10.5681 -10.5681 -10.5681 -0.9357 -0.9357 -0.9354 -0.9354 -0.9132 -0.9132 -0.9132 -0.9132 -0.6504 -0.6504 -0.6503 -0.6503 -0.6153 -0.6153 -0.6152 -0.6152 -0.5466 -0.5466 -0.5459 -0.5459 -0.5100 -0.5100 -0.5097 -0.5097 1.7701 1.7701 1.7726 1.7726 1.8306 1.8306 1.8322 1.8322 5.4643 5.4643 5.4729 5.4729 k =-0.4722 0.4621 0.0000 ( 14926 PWs) bands (ev): -10.5728 -10.5728 -10.5728 -10.5728 -10.5719 -10.5719 -10.5719 -10.5719 -0.9034 -0.9034 -0.9032 -0.9032 -0.8844 -0.8844 -0.8844 -0.8844 -0.6433 -0.6433 -0.6432 -0.6432 -0.6072 -0.6072 -0.6072 -0.6072 -0.5372 -0.5372 -0.5366 -0.5366 -0.5143 -0.5143 -0.5141 -0.5141 1.7621 1.7621 1.7645 1.7645 1.7961 1.7961 1.7976 1.7976 5.4822 5.4822 5.4962 5.4962 k =-0.4815 0.4712 0.0000 ( 14916 PWs) bands (ev): -10.5760 -10.5760 -10.5760 -10.5760 -10.5746 -10.5746 -10.5746 -10.5746 -0.8812 -0.8812 -0.8811 -0.8811 -0.8623 -0.8623 -0.8622 -0.8622 -0.6369 -0.6369 -0.6368 -0.6368 -0.5996 -0.5996 -0.5995 -0.5995 -0.5320 -0.5320 -0.5318 -0.5318 -0.5184 -0.5184 -0.5180 -0.5180 1.7563 1.7563 1.7588 1.7588 1.7712 1.7712 1.7726 1.7726 5.4957 5.4957 5.5174 5.5174 k =-0.4907 0.4802 0.0000 ( 14906 PWs) bands (ev): -10.5779 -10.5779 -10.5779 -10.5779 -10.5763 -10.5763 -10.5763 -10.5763 -0.8686 -0.8686 -0.8685 -0.8685 -0.8482 -0.8482 -0.8480 -0.8480 -0.6324 -0.6324 -0.6323 -0.6323 -0.5935 -0.5935 -0.5933 -0.5933 -0.5332 -0.5332 -0.5330 -0.5330 -0.5187 -0.5187 -0.5179 -0.5179 1.7529 1.7529 1.7549 1.7549 1.7565 1.7565 1.7574 1.7574 5.5039 5.5039 5.5298 5.5298 k =-0.5000 0.4893 0.0000 ( 14940 PWs) bands (ev): -10.5786 -10.5786 -10.5786 -10.5786 -10.5768 -10.5768 -10.5768 -10.5768 -0.8645 -0.8645 -0.8644 -0.8644 -0.8433 -0.8433 -0.8432 -0.8432 -0.6308 -0.6308 -0.6307 -0.6307 -0.5910 -0.5910 -0.5908 -0.5908 -0.5350 -0.5350 -0.5346 -0.5346 -0.5181 -0.5181 -0.5172 -0.5172 1.7509 1.7509 1.7519 1.7519 1.7522 1.7522 1.7543 1.7543 5.5066 5.5066 5.5332 5.5332 k =-0.5000 0.4893 0.0000 ( 14940 PWs) bands (ev): -10.5786 -10.5786 -10.5786 -10.5786 -10.5768 -10.5768 -10.5768 -10.5768 -0.8645 -0.8645 -0.8644 -0.8644 -0.8433 -0.8433 -0.8432 -0.8432 -0.6308 -0.6308 -0.6307 -0.6307 -0.5910 -0.5910 -0.5908 -0.5908 -0.5350 -0.5350 -0.5346 -0.5346 -0.5181 -0.5181 -0.5172 -0.5172 1.7509 1.7509 1.7519 1.7519 1.7522 1.7522 1.7543 1.7543 5.5066 5.5066 5.5332 5.5333 k =-0.4947 0.4947-0.0000 ( 14934 PWs) bands (ev): -10.5783 -10.5783 -10.5783 -10.5783 -10.5765 -10.5765 -10.5765 -10.5765 -0.8651 -0.8651 -0.8650 -0.8650 -0.8436 -0.8436 -0.8434 -0.8434 -0.6335 -0.6335 -0.6333 -0.6333 -0.5925 -0.5925 -0.5923 -0.5923 -0.5390 -0.5390 -0.5388 -0.5388 -0.5136 -0.5136 -0.5128 -0.5128 1.7512 1.7512 1.7524 1.7524 1.7539 1.7539 1.7562 1.7562 5.5050 5.5050 5.5318 5.5318 k =-0.4894 0.5001-0.0000 ( 14928 PWs) bands (ev): -10.5776 -10.5776 -10.5776 -10.5776 -10.5757 -10.5757 -10.5757 -10.5757 -0.8671 -0.8671 -0.8669 -0.8669 -0.8444 -0.8444 -0.8443 -0.8443 -0.6413 -0.6413 -0.6411 -0.6411 -0.5969 -0.5969 -0.5968 -0.5968 -0.5464 -0.5464 -0.5462 -0.5462 -0.5054 -0.5054 -0.5047 -0.5047 1.7524 1.7524 1.7537 1.7537 1.7593 1.7593 1.7617 1.7617 5.5003 5.5003 5.5277 5.5277 k =-0.4894 0.5001-0.0000 ( 14928 PWs) bands (ev): -10.5776 -10.5776 -10.5776 -10.5776 -10.5757 -10.5757 -10.5757 -10.5757 -0.8671 -0.8671 -0.8669 -0.8669 -0.8444 -0.8444 -0.8443 -0.8443 -0.6413 -0.6413 -0.6411 -0.6411 -0.5969 -0.5969 -0.5968 -0.5968 -0.5464 -0.5464 -0.5462 -0.5462 -0.5054 -0.5054 -0.5047 -0.5047 1.7524 1.7524 1.7537 1.7537 1.7593 1.7593 1.7617 1.7617 5.5003 5.5003 5.5277 5.5277 k =-0.4894 0.5001 0.0114 ( 14925 PWs) bands (ev): -10.5776 -10.5776 -10.5776 -10.5776 -10.5757 -10.5757 -10.5757 -10.5757 -0.8671 -0.8671 -0.8669 -0.8669 -0.8444 -0.8444 -0.8443 -0.8443 -0.6413 -0.6413 -0.6411 -0.6411 -0.5969 -0.5969 -0.5968 -0.5968 -0.5464 -0.5464 -0.5462 -0.5462 -0.5054 -0.5054 -0.5047 -0.5047 1.7524 1.7524 1.7537 1.7537 1.7593 1.7593 1.7617 1.7617 5.5005 5.5005 5.5272 5.5272 k =-0.4894 0.5001 0.0229 ( 14933 PWs) bands (ev): -10.5776 -10.5776 -10.5776 -10.5776 -10.5757 -10.5757 -10.5757 -10.5757 -0.8671 -0.8671 -0.8669 -0.8669 -0.8444 -0.8444 -0.8443 -0.8443 -0.6413 -0.6413 -0.6411 -0.6411 -0.5969 -0.5969 -0.5968 -0.5968 -0.5464 -0.5464 -0.5462 -0.5462 -0.5054 -0.5054 -0.5047 -0.5047 1.7525 1.7525 1.7536 1.7536 1.7594 1.7594 1.7616 1.7616 5.5010 5.5010 5.5258 5.5258 k =-0.4894 0.5001 0.0343 ( 14924 PWs) bands (ev): -10.5776 -10.5776 -10.5776 -10.5776 -10.5757 -10.5757 -10.5757 -10.5757 -0.8671 -0.8671 -0.8670 -0.8670 -0.8444 -0.8444 -0.8443 -0.8443 -0.6412 -0.6412 -0.6411 -0.6411 -0.5969 -0.5969 -0.5968 -0.5968 -0.5464 -0.5464 -0.5462 -0.5462 -0.5053 -0.5053 -0.5048 -0.5048 1.7525 1.7525 1.7536 1.7536 1.7595 1.7595 1.7615 1.7615 5.5019 5.5019 5.5237 5.5237 k =-0.4894 0.5001 0.0457 ( 14930 PWs) bands (ev): -10.5776 -10.5776 -10.5776 -10.5776 -10.5757 -10.5757 -10.5757 -10.5757 -0.8670 -0.8670 -0.8670 -0.8670 -0.8444 -0.8444 -0.8443 -0.8443 -0.6412 -0.6412 -0.6411 -0.6411 -0.5969 -0.5969 -0.5968 -0.5968 -0.5463 -0.5463 -0.5462 -0.5462 -0.5053 -0.5053 -0.5048 -0.5048 1.7526 1.7526 1.7535 1.7535 1.7596 1.7596 1.7613 1.7613 5.5031 5.5031 5.5212 5.5212 k =-0.4894 0.5001 0.0572 ( 14917 PWs) bands (ev): -10.5776 -10.5776 -10.5776 -10.5776 -10.5757 -10.5757 -10.5757 -10.5757 -0.8670 -0.8670 -0.8670 -0.8670 -0.8444 -0.8444 -0.8443 -0.8443 -0.6412 -0.6412 -0.6411 -0.6411 -0.5969 -0.5969 -0.5968 -0.5968 -0.5463 -0.5463 -0.5462 -0.5462 -0.5052 -0.5052 -0.5049 -0.5049 1.7527 1.7527 1.7534 1.7534 1.7598 1.7598 1.7612 1.7612 5.5046 5.5046 5.5186 5.5186 k =-0.4894 0.5001 0.0686 ( 14932 PWs) bands (ev): -10.5776 -10.5776 -10.5776 -10.5776 -10.5757 -10.5757 -10.5757 -10.5757 -0.8670 -0.8670 -0.8670 -0.8670 -0.8444 -0.8444 -0.8443 -0.8443 -0.6412 -0.6412 -0.6411 -0.6411 -0.5969 -0.5969 -0.5968 -0.5968 -0.5463 -0.5463 -0.5462 -0.5462 -0.5052 -0.5052 -0.5049 -0.5049 1.7528 1.7528 1.7533 1.7533 1.7600 1.7600 1.7610 1.7610 5.5064 5.5064 5.5159 5.5159 k =-0.4894 0.5001 0.0800 ( 14936 PWs) bands (ev): -10.5776 -10.5776 -10.5776 -10.5776 -10.5757 -10.5757 -10.5757 -10.5757 -0.8670 -0.8670 -0.8670 -0.8670 -0.8444 -0.8444 -0.8443 -0.8443 -0.6412 -0.6412 -0.6411 -0.6411 -0.5969 -0.5969 -0.5968 -0.5968 -0.5463 -0.5463 -0.5462 -0.5462 -0.5051 -0.5051 -0.5050 -0.5050 1.7529 1.7529 1.7532 1.7532 1.7603 1.7603 1.7607 1.7607 5.5085 5.5085 5.5133 5.5133 k =-0.4894 0.5001 0.0914 ( 14932 PWs) bands (ev): -10.5776 -10.5776 -10.5776 -10.5776 -10.5757 -10.5757 -10.5757 -10.5757 -0.8670 -0.8670 -0.8670 -0.8670 -0.8443 -0.8443 -0.8443 -0.8443 -0.6412 -0.6412 -0.6412 -0.6412 -0.5968 -0.5968 -0.5968 -0.5968 -0.5463 -0.5463 -0.5463 -0.5463 -0.5050 -0.5050 -0.5050 -0.5050 1.7531 1.7531 1.7531 1.7531 1.7605 1.7605 1.7605 1.7605 5.5108 5.5108 5.5108 5.5108 k =-0.4894 0.5001 0.0914 ( 14932 PWs) bands (ev): -10.5776 -10.5776 -10.5776 -10.5776 -10.5757 -10.5757 -10.5757 -10.5757 -0.8670 -0.8670 -0.8670 -0.8670 -0.8443 -0.8443 -0.8443 -0.8443 -0.6412 -0.6412 -0.6412 -0.6412 -0.5968 -0.5968 -0.5968 -0.5968 -0.5463 -0.5463 -0.5463 -0.5463 -0.5050 -0.5050 -0.5050 -0.5050 1.7531 1.7531 1.7531 1.7531 1.7605 1.7605 1.7605 1.7605 5.5108 5.5108 5.5108 5.5108 k =-0.4947 0.4947 0.0914 ( 14928 PWs) bands (ev): -10.5783 -10.5783 -10.5783 -10.5783 -10.5765 -10.5765 -10.5765 -10.5765 -0.8651 -0.8651 -0.8651 -0.8651 -0.8435 -0.8435 -0.8435 -0.8435 -0.6334 -0.6334 -0.6334 -0.6334 -0.5924 -0.5924 -0.5924 -0.5924 -0.5389 -0.5389 -0.5389 -0.5389 -0.5132 -0.5132 -0.5132 -0.5132 1.7519 1.7519 1.7519 1.7519 1.7550 1.7550 1.7550 1.7550 5.5150 5.5150 5.5150 5.5150 k =-0.5000 0.4893 0.0914 ( 14940 PWs) bands (ev): -10.5786 -10.5786 -10.5786 -10.5786 -10.5768 -10.5768 -10.5768 -10.5768 -0.8644 -0.8644 -0.8644 -0.8644 -0.8432 -0.8432 -0.8432 -0.8432 -0.6307 -0.6307 -0.6307 -0.6307 -0.5909 -0.5909 -0.5909 -0.5909 -0.5348 -0.5348 -0.5348 -0.5348 -0.5176 -0.5176 -0.5176 -0.5176 1.7515 1.7515 1.7515 1.7515 1.7531 1.7531 1.7531 1.7531 5.5165 5.5165 5.5165 5.5165 k =-0.5000 0.4893 0.0914 ( 14940 PWs) bands (ev): -10.5786 -10.5786 -10.5786 -10.5786 -10.5768 -10.5768 -10.5768 -10.5768 -0.8644 -0.8644 -0.8644 -0.8644 -0.8432 -0.8432 -0.8432 -0.8432 -0.6307 -0.6307 -0.6307 -0.6307 -0.5909 -0.5909 -0.5909 -0.5909 -0.5348 -0.5348 -0.5348 -0.5348 -0.5176 -0.5176 -0.5176 -0.5176 1.7515 1.7515 1.7515 1.7515 1.7531 1.7531 1.7531 1.7531 5.5165 5.5165 5.5165 5.5165 k =-0.5000 0.4893 0.0800 ( 14940 PWs) bands (ev): -10.5786 -10.5786 -10.5786 -10.5786 -10.5768 -10.5768 -10.5768 -10.5768 -0.8644 -0.8644 -0.8644 -0.8644 -0.8432 -0.8432 -0.8432 -0.8432 -0.6307 -0.6307 -0.6307 -0.6307 -0.5909 -0.5909 -0.5909 -0.5909 -0.5349 -0.5349 -0.5348 -0.5348 -0.5177 -0.5177 -0.5175 -0.5175 1.7514 1.7514 1.7517 1.7517 1.7529 1.7529 1.7534 1.7534 5.5143 5.5143 5.5189 5.5189 k =-0.5000 0.4893 0.0686 ( 14924 PWs) bands (ev): -10.5786 -10.5786 -10.5786 -10.5786 -10.5768 -10.5768 -10.5768 -10.5768 -0.8645 -0.8645 -0.8644 -0.8644 -0.8433 -0.8433 -0.8432 -0.8432 -0.6308 -0.6308 -0.6307 -0.6307 -0.5909 -0.5909 -0.5909 -0.5909 -0.5349 -0.5349 -0.5347 -0.5347 -0.5178 -0.5178 -0.5175 -0.5175 1.7513 1.7513 1.7518 1.7518 1.7526 1.7526 1.7536 1.7536 5.5123 5.5123 5.5214 5.5214 k =-0.5000 0.4893 0.0572 ( 14924 PWs) bands (ev): -10.5786 -10.5786 -10.5786 -10.5786 -10.5768 -10.5768 -10.5768 -10.5768 -0.8645 -0.8645 -0.8644 -0.8644 -0.8433 -0.8433 -0.8432 -0.8432 -0.6308 -0.6308 -0.6307 -0.6307 -0.5909 -0.5909 -0.5908 -0.5908 -0.5349 -0.5349 -0.5347 -0.5347 -0.5179 -0.5179 -0.5174 -0.5174 1.7512 1.7512 1.7519 1.7519 1.7524 1.7524 1.7538 1.7538 5.5106 5.5106 5.5240 5.5240 k =-0.5000 0.4893 0.0457 ( 14946 PWs) bands (ev): -10.5786 -10.5786 -10.5786 -10.5786 -10.5768 -10.5768 -10.5768 -10.5768 -0.8645 -0.8645 -0.8644 -0.8644 -0.8433 -0.8433 -0.8432 -0.8432 -0.6308 -0.6308 -0.6307 -0.6307 -0.5909 -0.5909 -0.5908 -0.5908 -0.5349 -0.5349 -0.5347 -0.5347 -0.5179 -0.5179 -0.5173 -0.5173 1.7511 1.7511 1.7520 1.7520 1.7522 1.7522 1.7540 1.7540 5.5092 5.5092 5.5266 5.5266 k =-0.5000 0.4893 0.0343 ( 14934 PWs) bands (ev): -10.5786 -10.5786 -10.5786 -10.5786 -10.5768 -10.5768 -10.5768 -10.5768 -0.8645 -0.8645 -0.8644 -0.8644 -0.8433 -0.8433 -0.8432 -0.8432 -0.6308 -0.6308 -0.6307 -0.6307 -0.5910 -0.5910 -0.5908 -0.5908 -0.5350 -0.5350 -0.5347 -0.5347 -0.5180 -0.5180 -0.5173 -0.5173 1.7510 1.7510 1.7521 1.7521 1.7521 1.7521 1.7541 1.7541 5.5081 5.5081 5.5291 5.5291 k =-0.5000 0.4893 0.0229 ( 14928 PWs) bands (ev): -10.5786 -10.5786 -10.5786 -10.5786 -10.5768 -10.5768 -10.5768 -10.5768 -0.8645 -0.8645 -0.8644 -0.8644 -0.8433 -0.8433 -0.8432 -0.8432 -0.6308 -0.6308 -0.6307 -0.6307 -0.5910 -0.5910 -0.5908 -0.5908 -0.5350 -0.5350 -0.5347 -0.5347 -0.5180 -0.5180 -0.5172 -0.5172 1.7509 1.7509 1.7520 1.7520 1.7522 1.7522 1.7543 1.7543 5.5073 5.5073 5.5312 5.5312 k =-0.5000 0.4893 0.0114 ( 14930 PWs) bands (ev): -10.5786 -10.5786 -10.5786 -10.5786 -10.5768 -10.5768 -10.5768 -10.5768 -0.8645 -0.8645 -0.8644 -0.8644 -0.8433 -0.8433 -0.8432 -0.8432 -0.6308 -0.6308 -0.6307 -0.6307 -0.5910 -0.5910 -0.5908 -0.5908 -0.5350 -0.5350 -0.5346 -0.5346 -0.5181 -0.5181 -0.5172 -0.5172 1.7509 1.7509 1.7519 1.7519 1.7522 1.7522 1.7543 1.7543 5.5068 5.5068 5.5326 5.5327 k =-0.5000 0.4893 0.0000 ( 14940 PWs) bands (ev): -10.5786 -10.5786 -10.5786 -10.5786 -10.5768 -10.5768 -10.5768 -10.5768 -0.8645 -0.8645 -0.8644 -0.8644 -0.8433 -0.8433 -0.8432 -0.8432 -0.6308 -0.6308 -0.6307 -0.6307 -0.5910 -0.5910 -0.5908 -0.5908 -0.5350 -0.5350 -0.5346 -0.5346 -0.5181 -0.5181 -0.5172 -0.5172 1.7509 1.7509 1.7519 1.7519 1.7522 1.7522 1.7543 1.7543 5.5066 5.5066 5.5332 5.5332 k = 0.0000 0.0000 0.0914 ( 14978 PWs) bands (ev): -10.7696 -10.7696 -10.7696 -10.7696 -10.6652 -10.6652 -10.6652 -10.6652 -1.1182 -1.1182 -1.1182 -1.1182 -0.8346 -0.8346 -0.8346 -0.8346 -0.0659 -0.0659 -0.0659 -0.0659 -0.0058 -0.0058 -0.0058 -0.0058 0.0919 0.0919 0.0919 0.0919 0.2339 0.2339 0.2339 0.2339 1.0079 1.0079 1.0079 1.0079 2.6167 2.6167 2.6167 2.6167 3.2957 3.2957 3.2957 3.2957 k =-0.0093 0.0091 0.0914 ( 14984 PWs) bands (ev): -10.7687 -10.7687 -10.7687 -10.7687 -10.6644 -10.6644 -10.6644 -10.6644 -1.1184 -1.1184 -1.1184 -1.1184 -0.8358 -0.8358 -0.8358 -0.8358 -0.0733 -0.0733 -0.0733 -0.0733 -0.0128 -0.0128 -0.0128 -0.0128 0.0880 0.0880 0.0880 0.0880 0.2262 0.2262 0.2262 0.2262 1.0183 1.0183 1.0183 1.0183 2.6222 2.6222 2.6222 2.6222 3.2968 3.2968 3.2968 3.2968 k =-0.0185 0.0181 0.0914 ( 14990 PWs) bands (ev): -10.7661 -10.7661 -10.7661 -10.7661 -10.6622 -10.6622 -10.6622 -10.6622 -1.1189 -1.1189 -1.1189 -1.1189 -0.8391 -0.8391 -0.8391 -0.8391 -0.0957 -0.0957 -0.0957 -0.0957 -0.0335 -0.0335 -0.0335 -0.0335 0.0772 0.0772 0.0772 0.0772 0.2038 0.2038 0.2038 0.2038 1.0485 1.0485 1.0485 1.0485 2.6385 2.6385 2.6385 2.6385 3.2999 3.2999 3.2999 3.2999 k =-0.0278 0.0272 0.0914 ( 15000 PWs) bands (ev): -10.7618 -10.7618 -10.7618 -10.7618 -10.6585 -10.6585 -10.6585 -10.6585 -1.1196 -1.1196 -1.1196 -1.1196 -0.8449 -0.8449 -0.8449 -0.8449 -0.1331 -0.1331 -0.1331 -0.1331 -0.0671 -0.0671 -0.0671 -0.0671 0.0608 0.0608 0.0608 0.0608 0.1696 0.1696 0.1696 0.1696 1.0957 1.0957 1.0957 1.0957 2.6654 2.6654 2.6654 2.6654 3.3051 3.3051 3.3051 3.3051 k =-0.0370 0.0362 0.0914 ( 15004 PWs) bands (ev): -10.7558 -10.7558 -10.7558 -10.7558 -10.6533 -10.6533 -10.6533 -10.6533 -1.1207 -1.1207 -1.1207 -1.1207 -0.8532 -0.8532 -0.8532 -0.8532 -0.1845 -0.1845 -0.1845 -0.1845 -0.1128 -0.1128 -0.1128 -0.1128 0.0407 0.0407 0.0407 0.0407 0.1268 0.1268 0.1268 0.1268 1.1569 1.1569 1.1569 1.1569 2.7025 2.7025 2.7025 2.7025 3.3123 3.3123 3.3123 3.3123 k =-0.0463 0.0453 0.0914 ( 15002 PWs) bands (ev): -10.7482 -10.7482 -10.7482 -10.7482 -10.6468 -10.6468 -10.6468 -10.6468 -1.1221 -1.1221 -1.1221 -1.1221 -0.8646 -0.8646 -0.8646 -0.8646 -0.2477 -0.2477 -0.2477 -0.2477 -0.1694 -0.1694 -0.1694 -0.1694 0.0176 0.0176 0.0176 0.0176 0.0785 0.0785 0.0785 0.0785 1.2294 1.2294 1.2294 1.2294 2.7494 2.7494 2.7494 2.7494 3.3215 3.3215 3.3215 3.3215 k =-0.0556 0.0544 0.0914 ( 14996 PWs) bands (ev): -10.7391 -10.7391 -10.7391 -10.7391 -10.6390 -10.6390 -10.6390 -10.6390 -1.1238 -1.1238 -1.1238 -1.1238 -0.8796 -0.8796 -0.8796 -0.8796 -0.3198 -0.3198 -0.3198 -0.3198 -0.2358 -0.2358 -0.2358 -0.2358 -0.0077 -0.0077 -0.0077 -0.0077 0.0274 0.0274 0.0274 0.0274 1.3110 1.3110 1.3110 1.3110 2.8056 2.8056 2.8056 2.8056 3.3327 3.3327 3.3327 3.3327 k =-0.0648 0.0634 0.0914 ( 14978 PWs) bands (ev): -10.7285 -10.7285 -10.7285 -10.7285 -10.6299 -10.6299 -10.6299 -10.6299 -1.1260 -1.1260 -1.1260 -1.1260 -0.8992 -0.8992 -0.8992 -0.8992 -0.3973 -0.3973 -0.3973 -0.3973 -0.3104 -0.3104 -0.3104 -0.3104 -0.0359 -0.0359 -0.0359 -0.0359 -0.0235 -0.0235 -0.0235 -0.0235 1.4000 1.4000 1.4000 1.4000 2.8704 2.8704 2.8704 2.8704 3.3455 3.3455 3.3455 3.3455 k =-0.0741 0.0725 0.0914 ( 14964 PWs) bands (ev): -10.7166 -10.7166 -10.7166 -10.7166 -10.6197 -10.6197 -10.6197 -10.6197 -1.1287 -1.1287 -1.1287 -1.1287 -0.9249 -0.9249 -0.9249 -0.9249 -0.4766 -0.4766 -0.4766 -0.4766 -0.3913 -0.3913 -0.3913 -0.3913 -0.0777 -0.0777 -0.0777 -0.0777 -0.0617 -0.0617 -0.0617 -0.0617 1.4954 1.4954 1.4954 1.4954 2.9434 2.9434 2.9434 2.9434 3.3597 3.3597 3.3597 3.3597 k =-0.0833 0.0815 0.0914 ( 14964 PWs) bands (ev): -10.7034 -10.7034 -10.7034 -10.7034 -10.6085 -10.6085 -10.6085 -10.6085 -1.1322 -1.1322 -1.1322 -1.1322 -0.9588 -0.9588 -0.9588 -0.9588 -0.5541 -0.5541 -0.5541 -0.5541 -0.4757 -0.4757 -0.4757 -0.4757 -0.1270 -0.1270 -0.1270 -0.1270 -0.0921 -0.0921 -0.0921 -0.0921 1.5962 1.5962 1.5962 1.5962 3.0237 3.0237 3.0237 3.0237 3.3737 3.3737 3.3737 3.3737 k =-0.0926 0.0906 0.0914 ( 14956 PWs) bands (ev): -10.6892 -10.6892 -10.6892 -10.6892 -10.5963 -10.5963 -10.5963 -10.5963 -1.1371 -1.1371 -1.1371 -1.1371 -1.0026 -1.0026 -1.0026 -1.0026 -0.6276 -0.6276 -0.6276 -0.6276 -0.5596 -0.5596 -0.5596 -0.5596 -0.1749 -0.1749 -0.1749 -0.1749 -0.1230 -0.1230 -0.1230 -0.1230 1.7017 1.7017 1.7017 1.7017 3.1107 3.1107 3.1107 3.1107 3.3826 3.3826 3.3826 3.3826 k =-0.1019 0.0997 0.0914 ( 14960 PWs) bands (ev): -10.6741 -10.6741 -10.6741 -10.6741 -10.5834 -10.5834 -10.5834 -10.5834 -1.1448 -1.1448 -1.1448 -1.1448 -1.0572 -1.0572 -1.0572 -1.0572 -0.6995 -0.6995 -0.6995 -0.6995 -0.6351 -0.6351 -0.6351 -0.6351 -0.2207 -0.2207 -0.2207 -0.2207 -0.1543 -0.1543 -0.1543 -0.1543 1.8115 1.8115 1.8115 1.8115 3.2029 3.2029 3.2029 3.2029 3.3734 3.3734 3.3734 3.3734 k =-0.1111 0.1087 0.0914 ( 14942 PWs) bands (ev): -10.6582 -10.6582 -10.6582 -10.6582 -10.5699 -10.5699 -10.5699 -10.5699 -1.1607 -1.1607 -1.1607 -1.1607 -1.1175 -1.1175 -1.1175 -1.1175 -0.7749 -0.7749 -0.7749 -0.7749 -0.6934 -0.6934 -0.6934 -0.6934 -0.2641 -0.2641 -0.2641 -0.2641 -0.1858 -0.1858 -0.1858 -0.1858 1.9250 1.9250 1.9250 1.9250 3.2906 3.2906 3.2906 3.2906 3.3557 3.3557 3.3557 3.3557 k =-0.1204 0.1178 0.0914 ( 14934 PWs) bands (ev): -10.6417 -10.6417 -10.6417 -10.6417 -10.5559 -10.5559 -10.5559 -10.5559 -1.2107 -1.2107 -1.2107 -1.2107 -1.1578 -1.1578 -1.1578 -1.1578 -0.8502 -0.8502 -0.8502 -0.8502 -0.7355 -0.7355 -0.7355 -0.7355 -0.3052 -0.3052 -0.3052 -0.3052 -0.2172 -0.2172 -0.2172 -0.2172 2.0416 2.0416 2.0416 2.0416 3.2937 3.2937 3.2937 3.2937 3.4209 3.4209 3.4209 3.4209 k =-0.1296 0.1269 0.0914 ( 14932 PWs) bands (ev): -10.6248 -10.6248 -10.6248 -10.6248 -10.5416 -10.5416 -10.5416 -10.5416 -1.2860 -1.2860 -1.2860 -1.2860 -1.1878 -1.1878 -1.1878 -1.1878 -0.9161 -0.9161 -0.9161 -0.9161 -0.7671 -0.7671 -0.7671 -0.7671 -0.3438 -0.3438 -0.3438 -0.3438 -0.2483 -0.2483 -0.2483 -0.2483 2.1606 2.1606 2.1606 2.1606 3.2575 3.2575 3.2575 3.2575 3.5105 3.5105 3.5105 3.5105 k =-0.1389 0.1359 0.0914 ( 14924 PWs) bands (ev): -10.6077 -10.6077 -10.6077 -10.6077 -10.5272 -10.5272 -10.5272 -10.5272 -1.3655 -1.3655 -1.3655 -1.3655 -1.2301 -1.2301 -1.2301 -1.2301 -0.9652 -0.9652 -0.9652 -0.9652 -0.7921 -0.7921 -0.7921 -0.7921 -0.3800 -0.3800 -0.3800 -0.3800 -0.2789 -0.2789 -0.2789 -0.2789 2.2811 2.2811 2.2811 2.2811 3.2182 3.2182 3.2182 3.2182 3.5394 3.5394 3.5394 3.5394 k =-0.1481 0.1450 0.0914 ( 14926 PWs) bands (ev): -10.5905 -10.5905 -10.5905 -10.5905 -10.5128 -10.5128 -10.5128 -10.5128 -1.4446 -1.4446 -1.4446 -1.4446 -1.2871 -1.2871 -1.2871 -1.2871 -0.9953 -0.9953 -0.9953 -0.9953 -0.8126 -0.8126 -0.8126 -0.8126 -0.4137 -0.4137 -0.4137 -0.4137 -0.3086 -0.3086 -0.3086 -0.3086 2.4014 2.4014 2.4014 2.4014 3.1801 3.1801 3.1801 3.1801 3.5697 3.5697 3.5697 3.5697 k =-0.1574 0.1540 0.0914 ( 14918 PWs) bands (ev): -10.5735 -10.5735 -10.5735 -10.5735 -10.4986 -10.4986 -10.4986 -10.4986 -1.5211 -1.5211 -1.5211 -1.5211 -1.3538 -1.3538 -1.3538 -1.3538 -1.0110 -1.0110 -1.0110 -1.0110 -0.8300 -0.8300 -0.8300 -0.8300 -0.4451 -0.4451 -0.4451 -0.4451 -0.3374 -0.3374 -0.3374 -0.3374 2.5185 2.5185 2.5185 2.5185 3.1469 3.1469 3.1469 3.1469 3.6014 3.6014 3.6014 3.6014 k =-0.1667 0.1631 0.0914 ( 14920 PWs) bands (ev): -10.5568 -10.5568 -10.5568 -10.5568 -10.4848 -10.4848 -10.4848 -10.4848 -1.5936 -1.5936 -1.5936 -1.5936 -1.4241 -1.4241 -1.4241 -1.4241 -1.0173 -1.0173 -1.0173 -1.0173 -0.8451 -0.8451 -0.8451 -0.8451 -0.4741 -0.4741 -0.4741 -0.4741 -0.3652 -0.3652 -0.3652 -0.3652 2.6256 2.6256 2.6256 2.6256 3.1255 3.1255 3.1255 3.1255 3.6341 3.6341 3.6341 3.6341 k =-0.1759 0.1722 0.0914 ( 14906 PWs) bands (ev): -10.5406 -10.5406 -10.5406 -10.5406 -10.4715 -10.4715 -10.4715 -10.4715 -1.6610 -1.6610 -1.6610 -1.6610 -1.4939 -1.4939 -1.4939 -1.4939 -1.0177 -1.0177 -1.0177 -1.0177 -0.8582 -0.8582 -0.8582 -0.8582 -0.5008 -0.5008 -0.5008 -0.5008 -0.3917 -0.3917 -0.3917 -0.3917 2.7094 2.7094 2.7094 2.7094 3.1295 3.1295 3.1295 3.1295 3.6675 3.6675 3.6675 3.6675 k =-0.1852 0.1812 0.0914 ( 14916 PWs) bands (ev): -10.5252 -10.5252 -10.5252 -10.5252 -10.4590 -10.4590 -10.4590 -10.4590 -1.7225 -1.7225 -1.7225 -1.7225 -1.5606 -1.5606 -1.5606 -1.5606 -1.0142 -1.0142 -1.0142 -1.0142 -0.8696 -0.8696 -0.8696 -0.8696 -0.5252 -0.5252 -0.5252 -0.5252 -0.4170 -0.4170 -0.4170 -0.4170 2.7530 2.7530 2.7530 2.7530 3.1759 3.1759 3.1759 3.1759 3.7007 3.7007 3.7007 3.7007 k =-0.1944 0.1903 0.0914 ( 14928 PWs) bands (ev): -10.5106 -10.5106 -10.5106 -10.5106 -10.4474 -10.4474 -10.4474 -10.4474 -1.7775 -1.7775 -1.7775 -1.7775 -1.6227 -1.6227 -1.6227 -1.6227 -1.0078 -1.0078 -1.0078 -1.0078 -0.8795 -0.8795 -0.8795 -0.8795 -0.5474 -0.5474 -0.5474 -0.5474 -0.4408 -0.4408 -0.4408 -0.4408 2.7552 2.7552 2.7552 2.7552 3.2660 3.2660 3.2660 3.2660 3.7332 3.7332 3.7332 3.7332 k =-0.2037 0.1993 0.0914 ( 14904 PWs) bands (ev): -10.4971 -10.4971 -10.4971 -10.4971 -10.4368 -10.4368 -10.4368 -10.4368 -1.8256 -1.8256 -1.8256 -1.8256 -1.6793 -1.6793 -1.6793 -1.6793 -0.9991 -0.9991 -0.9991 -0.9991 -0.8878 -0.8878 -0.8878 -0.8878 -0.5675 -0.5675 -0.5675 -0.5675 -0.4633 -0.4633 -0.4633 -0.4633 2.7317 2.7317 2.7317 2.7317 3.3842 3.3842 3.3842 3.3842 3.7639 3.7639 3.7639 3.7639 k =-0.2130 0.2084 0.0914 ( 14910 PWs) bands (ev): -10.4848 -10.4848 -10.4848 -10.4848 -10.4275 -10.4275 -10.4275 -10.4275 -1.8663 -1.8663 -1.8663 -1.8663 -1.7295 -1.7295 -1.7295 -1.7295 -0.9885 -0.9885 -0.9885 -0.9885 -0.8947 -0.8947 -0.8947 -0.8947 -0.5854 -0.5854 -0.5854 -0.5854 -0.4843 -0.4843 -0.4843 -0.4843 2.6953 2.6953 2.6953 2.6953 3.5176 3.5176 3.5176 3.5176 3.7912 3.7912 3.7912 3.7912 k =-0.2222 0.2175 0.0914 ( 14924 PWs) bands (ev): -10.4738 -10.4738 -10.4738 -10.4738 -10.4194 -10.4194 -10.4194 -10.4194 -1.8995 -1.8995 -1.8995 -1.8995 -1.7729 -1.7729 -1.7729 -1.7729 -0.9760 -0.9760 -0.9760 -0.9760 -0.9001 -0.9001 -0.9001 -0.9001 -0.6014 -0.6014 -0.6014 -0.6014 -0.5037 -0.5037 -0.5037 -0.5037 2.6526 2.6526 2.6526 2.6526 3.6597 3.6597 3.6597 3.6597 3.8134 3.8134 3.8134 3.8134 k =-0.2315 0.2265 0.0914 ( 14932 PWs) bands (ev): -10.4643 -10.4643 -10.4643 -10.4643 -10.4127 -10.4127 -10.4127 -10.4127 -1.9249 -1.9249 -1.9249 -1.9249 -1.8092 -1.8092 -1.8092 -1.8092 -0.9621 -0.9621 -0.9621 -0.9621 -0.9039 -0.9039 -0.9039 -0.9039 -0.6154 -0.6154 -0.6154 -0.6154 -0.5217 -0.5217 -0.5217 -0.5217 2.6067 2.6067 2.6067 2.6067 3.8061 3.8061 3.8061 3.8061 3.8286 3.8286 3.8286 3.8286 k =-0.2407 0.2356 0.0914 ( 14926 PWs) bands (ev): -10.4562 -10.4562 -10.4562 -10.4562 -10.4074 -10.4074 -10.4074 -10.4074 -1.9425 -1.9425 -1.9425 -1.9425 -1.8380 -1.8380 -1.8380 -1.8380 -0.9467 -0.9467 -0.9467 -0.9467 -0.9062 -0.9062 -0.9062 -0.9062 -0.6276 -0.6276 -0.6276 -0.6276 -0.5382 -0.5382 -0.5382 -0.5382 2.5593 2.5593 2.5593 2.5593 3.8296 3.8296 3.8296 3.8296 3.9592 3.9592 3.9592 3.9592 k =-0.2500 0.2446 0.0914 ( 14916 PWs) bands (ev): -10.4498 -10.4498 -10.4498 -10.4498 -10.4037 -10.4037 -10.4037 -10.4037 -1.9523 -1.9523 -1.9523 -1.9523 -1.8593 -1.8593 -1.8593 -1.8593 -0.9303 -0.9303 -0.9303 -0.9303 -0.9066 -0.9066 -0.9066 -0.9066 -0.6380 -0.6380 -0.6380 -0.6380 -0.5531 -0.5531 -0.5531 -0.5531 2.5113 2.5113 2.5113 2.5113 3.8171 3.8171 3.8171 3.8171 4.1133 4.1133 4.1133 4.1133 k =-0.2593 0.2537 0.0914 ( 14926 PWs) bands (ev): -10.4449 -10.4449 -10.4449 -10.4449 -10.4016 -10.4016 -10.4016 -10.4016 -1.9542 -1.9542 -1.9542 -1.9542 -1.8730 -1.8730 -1.8730 -1.8730 -0.9141 -0.9141 -0.9141 -0.9141 -0.9041 -0.9041 -0.9041 -0.9041 -0.6467 -0.6467 -0.6467 -0.6467 -0.5665 -0.5665 -0.5665 -0.5665 2.4634 2.4634 2.4634 2.4634 3.7859 3.7859 3.7859 3.7859 4.2695 4.2695 4.2695 4.2695 k =-0.2685 0.2628 0.0914 ( 14914 PWs) bands (ev): -10.4416 -10.4416 -10.4416 -10.4416 -10.4010 -10.4010 -10.4010 -10.4010 -1.9484 -1.9484 -1.9484 -1.9484 -1.8791 -1.8791 -1.8791 -1.8791 -0.9058 -0.9058 -0.9058 -0.9058 -0.8909 -0.8909 -0.8909 -0.8909 -0.6538 -0.6538 -0.6538 -0.6538 -0.5785 -0.5785 -0.5785 -0.5785 2.4158 2.4158 2.4158 2.4158 3.7346 3.7346 3.7346 3.7346 4.4271 4.4271 4.4271 4.4271 k =-0.2778 0.2718 0.0914 ( 14918 PWs) bands (ev): -10.4400 -10.4400 -10.4400 -10.4400 -10.4020 -10.4020 -10.4020 -10.4020 -1.9351 -1.9351 -1.9351 -1.9351 -1.8776 -1.8776 -1.8776 -1.8776 -0.9010 -0.9010 -0.9010 -0.9010 -0.8718 -0.8718 -0.8718 -0.8718 -0.6593 -0.6593 -0.6593 -0.6593 -0.5889 -0.5889 -0.5889 -0.5889 2.3688 2.3688 2.3688 2.3688 3.6644 3.6644 3.6644 3.6644 4.5845 4.5845 4.5845 4.5845 k =-0.2870 0.2809 0.0914 ( 14926 PWs) bands (ev): -10.4399 -10.4399 -10.4399 -10.4399 -10.4045 -10.4045 -10.4045 -10.4045 -1.9145 -1.9145 -1.9145 -1.9145 -1.8688 -1.8688 -1.8688 -1.8688 -0.8951 -0.8951 -0.8951 -0.8951 -0.8513 -0.8513 -0.8513 -0.8513 -0.6635 -0.6635 -0.6635 -0.6635 -0.5978 -0.5978 -0.5978 -0.5978 2.3229 2.3229 2.3229 2.3229 3.5784 3.5784 3.5784 3.5784 4.7285 4.7285 4.7285 4.7285 k =-0.2963 0.2899 0.0914 ( 14924 PWs) bands (ev): -10.4412 -10.4412 -10.4412 -10.4412 -10.4085 -10.4085 -10.4085 -10.4085 -1.8870 -1.8870 -1.8870 -1.8870 -1.8528 -1.8528 -1.8528 -1.8528 -0.8877 -0.8877 -0.8877 -0.8877 -0.8302 -0.8302 -0.8302 -0.8302 -0.6662 -0.6662 -0.6662 -0.6662 -0.6053 -0.6053 -0.6053 -0.6053 2.2780 2.2780 2.2780 2.2780 3.4806 3.4806 3.4806 3.4806 4.7775 4.7775 4.7775 4.7775 k =-0.3056 0.2990 0.0914 ( 14924 PWs) bands (ev): -10.4440 -10.4440 -10.4440 -10.4440 -10.4138 -10.4138 -10.4138 -10.4138 -1.8528 -1.8528 -1.8528 -1.8528 -1.8299 -1.8299 -1.8299 -1.8299 -0.8786 -0.8786 -0.8786 -0.8786 -0.8088 -0.8088 -0.8088 -0.8088 -0.6677 -0.6677 -0.6677 -0.6677 -0.6111 -0.6111 -0.6111 -0.6111 2.2344 2.2344 2.2344 2.2344 3.3749 3.3749 3.3749 3.3749 4.8106 4.8106 4.8106 4.8106 k =-0.3148 0.3081 0.0914 ( 14902 PWs) bands (ev): -10.4481 -10.4481 -10.4481 -10.4481 -10.4203 -10.4203 -10.4203 -10.4203 -1.8125 -1.8125 -1.8125 -1.8125 -1.8004 -1.8004 -1.8004 -1.8004 -0.8681 -0.8681 -0.8681 -0.8681 -0.7875 -0.7875 -0.7875 -0.7875 -0.6680 -0.6680 -0.6680 -0.6680 -0.6153 -0.6153 -0.6153 -0.6153 2.1922 2.1922 2.1922 2.1922 3.2643 3.2643 3.2643 3.2643 4.8493 4.8493 4.8493 4.8493 k =-0.3241 0.3171 0.0914 ( 14902 PWs) bands (ev): -10.4533 -10.4533 -10.4533 -10.4533 -10.4279 -10.4279 -10.4279 -10.4279 -1.7670 -1.7670 -1.7670 -1.7670 -1.7644 -1.7644 -1.7644 -1.7644 -0.8560 -0.8560 -0.8560 -0.8560 -0.7667 -0.7667 -0.7667 -0.7667 -0.6672 -0.6672 -0.6672 -0.6672 -0.6177 -0.6177 -0.6177 -0.6177 2.1515 2.1515 2.1515 2.1515 3.1511 3.1511 3.1511 3.1511 4.8926 4.8926 4.8926 4.8926 k =-0.3333 0.3262 0.0914 ( 14902 PWs) bands (ev): -10.4595 -10.4595 -10.4595 -10.4595 -10.4366 -10.4366 -10.4366 -10.4366 -1.7238 -1.7238 -1.7238 -1.7238 -1.7153 -1.7153 -1.7153 -1.7153 -0.8424 -0.8424 -0.8424 -0.8424 -0.7469 -0.7469 -0.7469 -0.7469 -0.6654 -0.6654 -0.6654 -0.6654 -0.6179 -0.6179 -0.6179 -0.6179 2.1124 2.1124 2.1124 2.1124 3.0370 3.0370 3.0370 3.0370 4.9390 4.9390 4.9390 4.9390 k =-0.3426 0.3352 0.0914 ( 14902 PWs) bands (ev): -10.4667 -10.4667 -10.4667 -10.4667 -10.4460 -10.4460 -10.4460 -10.4460 -1.6773 -1.6773 -1.6773 -1.6773 -1.6598 -1.6598 -1.6598 -1.6598 -0.8276 -0.8276 -0.8276 -0.8276 -0.7288 -0.7288 -0.7288 -0.7288 -0.6626 -0.6626 -0.6626 -0.6626 -0.6155 -0.6155 -0.6155 -0.6155 2.0751 2.0751 2.0751 2.0751 2.9234 2.9234 2.9234 2.9234 4.9872 4.9872 4.9872 4.9872 k =-0.3519 0.3443 0.0914 ( 14924 PWs) bands (ev): -10.4745 -10.4745 -10.4745 -10.4745 -10.4561 -10.4561 -10.4561 -10.4561 -1.6262 -1.6262 -1.6262 -1.6262 -1.6005 -1.6005 -1.6005 -1.6005 -0.8115 -0.8115 -0.8115 -0.8115 -0.7131 -0.7131 -0.7131 -0.7131 -0.6590 -0.6590 -0.6590 -0.6590 -0.6102 -0.6102 -0.6102 -0.6102 2.0395 2.0395 2.0395 2.0395 2.8115 2.8115 2.8115 2.8115 5.0362 5.0362 5.0362 5.0362 k =-0.3611 0.3534 0.0914 ( 14928 PWs) bands (ev): -10.4829 -10.4829 -10.4829 -10.4829 -10.4667 -10.4667 -10.4667 -10.4667 -1.5711 -1.5711 -1.5711 -1.5711 -1.5382 -1.5382 -1.5382 -1.5382 -0.7945 -0.7945 -0.7945 -0.7945 -0.7001 -0.7001 -0.7001 -0.7001 -0.6548 -0.6548 -0.6548 -0.6548 -0.6016 -0.6016 -0.6016 -0.6016 2.0058 2.0058 2.0058 2.0058 2.7019 2.7019 2.7019 2.7019 5.0850 5.0850 5.0850 5.0850 k =-0.3704 0.3624 0.0914 ( 14934 PWs) bands (ev): -10.4918 -10.4918 -10.4918 -10.4918 -10.4776 -10.4776 -10.4776 -10.4776 -1.5127 -1.5127 -1.5127 -1.5127 -1.4737 -1.4737 -1.4737 -1.4737 -0.7768 -0.7768 -0.7768 -0.7768 -0.6898 -0.6898 -0.6898 -0.6898 -0.6501 -0.6501 -0.6501 -0.6501 -0.5902 -0.5902 -0.5902 -0.5902 1.9740 1.9740 1.9740 1.9740 2.5955 2.5955 2.5955 2.5955 5.1329 5.1329 5.1329 5.1329 k =-0.3796 0.3715 0.0914 ( 14934 PWs) bands (ev): -10.5008 -10.5008 -10.5008 -10.5008 -10.4886 -10.4886 -10.4886 -10.4886 -1.4518 -1.4518 -1.4518 -1.4518 -1.4077 -1.4077 -1.4077 -1.4077 -0.7588 -0.7588 -0.7588 -0.7588 -0.6815 -0.6815 -0.6815 -0.6815 -0.6446 -0.6446 -0.6446 -0.6446 -0.5769 -0.5769 -0.5769 -0.5769 1.9441 1.9441 1.9441 1.9441 2.4929 2.4929 2.4929 2.4929 5.1794 5.1794 5.1794 5.1794 k =-0.3889 0.3806 0.0914 ( 14944 PWs) bands (ev): -10.5099 -10.5099 -10.5099 -10.5099 -10.4996 -10.4996 -10.4996 -10.4996 -1.3890 -1.3890 -1.3890 -1.3890 -1.3414 -1.3414 -1.3414 -1.3414 -0.7409 -0.7409 -0.7409 -0.7409 -0.6745 -0.6745 -0.6745 -0.6745 -0.6383 -0.6383 -0.6383 -0.6383 -0.5629 -0.5629 -0.5629 -0.5629 1.9163 1.9163 1.9163 1.9163 2.3946 2.3946 2.3946 2.3946 5.2237 5.2237 5.2237 5.2237 k =-0.3981 0.3896 0.0914 ( 14948 PWs) bands (ev): -10.5189 -10.5189 -10.5189 -10.5189 -10.5104 -10.5104 -10.5104 -10.5104 -1.3253 -1.3253 -1.3253 -1.3253 -1.2755 -1.2755 -1.2755 -1.2755 -0.7237 -0.7237 -0.7237 -0.7237 -0.6680 -0.6680 -0.6680 -0.6680 -0.6307 -0.6307 -0.6307 -0.6307 -0.5491 -0.5491 -0.5491 -0.5491 1.8906 1.8906 1.8906 1.8906 2.3013 2.3013 2.3013 2.3013 5.2654 5.2654 5.2654 5.2654 k =-0.4074 0.3987 0.0914 ( 14944 PWs) bands (ev): -10.5277 -10.5277 -10.5277 -10.5277 -10.5209 -10.5209 -10.5209 -10.5209 -1.2615 -1.2615 -1.2615 -1.2615 -1.2112 -1.2112 -1.2112 -1.2112 -0.7079 -0.7079 -0.7079 -0.7079 -0.6616 -0.6616 -0.6616 -0.6616 -0.6217 -0.6217 -0.6217 -0.6217 -0.5365 -0.5365 -0.5365 -0.5365 1.8670 1.8670 1.8670 1.8670 2.2135 2.2135 2.2135 2.2135 5.3039 5.3039 5.3039 5.3039 k =-0.4167 0.4077 0.0914 ( 14934 PWs) bands (ev): -10.5361 -10.5361 -10.5361 -10.5361 -10.5308 -10.5308 -10.5308 -10.5308 -1.1985 -1.1985 -1.1985 -1.1985 -1.1495 -1.1495 -1.1495 -1.1495 -0.6943 -0.6943 -0.6943 -0.6943 -0.6547 -0.6547 -0.6547 -0.6547 -0.6111 -0.6111 -0.6111 -0.6111 -0.5256 -0.5256 -0.5256 -0.5256 1.8455 1.8455 1.8455 1.8455 2.1316 2.1316 2.1316 2.1316 5.3390 5.3390 5.3390 5.3390 k =-0.4259 0.4168 0.0914 ( 14938 PWs) bands (ev): -10.5439 -10.5439 -10.5439 -10.5439 -10.5401 -10.5401 -10.5401 -10.5401 -1.1374 -1.1374 -1.1374 -1.1374 -1.0914 -1.0914 -1.0914 -1.0914 -0.6829 -0.6829 -0.6829 -0.6829 -0.6473 -0.6473 -0.6473 -0.6473 -0.5988 -0.5988 -0.5988 -0.5988 -0.5169 -0.5169 -0.5169 -0.5169 1.8262 1.8262 1.8262 1.8262 2.0563 2.0563 2.0563 2.0563 5.3702 5.3702 5.3702 5.3702 k =-0.4352 0.4259 0.0914 ( 14932 PWs) bands (ev): -10.5512 -10.5512 -10.5512 -10.5512 -10.5486 -10.5486 -10.5486 -10.5486 -1.0792 -1.0792 -1.0792 -1.0792 -1.0379 -1.0379 -1.0379 -1.0379 -0.6735 -0.6735 -0.6735 -0.6735 -0.6395 -0.6395 -0.6395 -0.6395 -0.5853 -0.5853 -0.5853 -0.5853 -0.5108 -0.5108 -0.5108 -0.5108 1.8091 1.8091 1.8091 1.8091 1.9881 1.9881 1.9881 1.9881 5.3977 5.3977 5.3977 5.3977 k =-0.4444 0.4349 0.0914 ( 14928 PWs) bands (ev): -10.5577 -10.5577 -10.5577 -10.5577 -10.5562 -10.5562 -10.5562 -10.5562 -1.0252 -1.0252 -1.0252 -1.0252 -0.9900 -0.9900 -0.9900 -0.9900 -0.6654 -0.6654 -0.6654 -0.6654 -0.6315 -0.6315 -0.6315 -0.6315 -0.5715 -0.5715 -0.5715 -0.5715 -0.5076 -0.5076 -0.5076 -0.5076 1.7943 1.7943 1.7943 1.7943 1.9275 1.9275 1.9275 1.9275 5.4224 5.4224 5.4224 5.4224 k =-0.4537 0.4440 0.0914 ( 14932 PWs) bands (ev): -10.5634 -10.5634 -10.5634 -10.5634 -10.5629 -10.5629 -10.5629 -10.5629 -0.9768 -0.9768 -0.9768 -0.9768 -0.9483 -0.9483 -0.9483 -0.9483 -0.6578 -0.6578 -0.6578 -0.6578 -0.6234 -0.6234 -0.6234 -0.6234 -0.5581 -0.5581 -0.5581 -0.5581 -0.5074 -0.5074 -0.5074 -0.5074 1.7817 1.7817 1.7817 1.7817 1.8751 1.8751 1.8751 1.8751 5.4454 5.4454 5.4454 5.4454 k =-0.4630 0.4530 0.0914 ( 14942 PWs) bands (ev): -10.5684 -10.5684 -10.5684 -10.5684 -10.5681 -10.5681 -10.5681 -10.5681 -0.9355 -0.9355 -0.9355 -0.9355 -0.9132 -0.9132 -0.9132 -0.9132 -0.6504 -0.6504 -0.6504 -0.6504 -0.6153 -0.6153 -0.6153 -0.6153 -0.5463 -0.5463 -0.5463 -0.5463 -0.5098 -0.5098 -0.5098 -0.5098 1.7714 1.7714 1.7714 1.7714 1.8314 1.8314 1.8314 1.8314 5.4674 5.4674 5.4674 5.4674 k =-0.4722 0.4621 0.0914 ( 14924 PWs) bands (ev): -10.5728 -10.5728 -10.5728 -10.5728 -10.5719 -10.5719 -10.5719 -10.5719 -0.9033 -0.9033 -0.9033 -0.9033 -0.8844 -0.8844 -0.8844 -0.8844 -0.6432 -0.6432 -0.6432 -0.6432 -0.6072 -0.6072 -0.6072 -0.6072 -0.5369 -0.5369 -0.5369 -0.5369 -0.5142 -0.5142 -0.5142 -0.5142 1.7633 1.7633 1.7633 1.7633 1.7969 1.7969 1.7969 1.7969 5.4876 5.4876 5.4876 5.4876 k =-0.4815 0.4712 0.0914 ( 14938 PWs) bands (ev): -10.5760 -10.5760 -10.5760 -10.5760 -10.5746 -10.5746 -10.5746 -10.5746 -0.8812 -0.8812 -0.8812 -0.8812 -0.8623 -0.8623 -0.8623 -0.8623 -0.6369 -0.6369 -0.6369 -0.6369 -0.5996 -0.5996 -0.5996 -0.5996 -0.5319 -0.5319 -0.5319 -0.5319 -0.5182 -0.5182 -0.5182 -0.5182 1.7575 1.7575 1.7575 1.7575 1.7719 1.7719 1.7719 1.7719 5.5036 5.5036 5.5036 5.5036 k =-0.4907 0.4802 0.0914 ( 14952 PWs) bands (ev): -10.5779 -10.5779 -10.5779 -10.5779 -10.5763 -10.5763 -10.5763 -10.5763 -0.8685 -0.8685 -0.8685 -0.8685 -0.8481 -0.8481 -0.8481 -0.8481 -0.6324 -0.6324 -0.6324 -0.6324 -0.5934 -0.5934 -0.5934 -0.5934 -0.5331 -0.5331 -0.5331 -0.5331 -0.5183 -0.5183 -0.5183 -0.5183 1.7540 1.7540 1.7540 1.7540 1.7568 1.7568 1.7568 1.7568 5.5133 5.5133 5.5133 5.5133 k =-0.5000 0.4893 0.0914 ( 14940 PWs) bands (ev): -10.5786 -10.5786 -10.5786 -10.5786 -10.5768 -10.5768 -10.5768 -10.5768 -0.8644 -0.8644 -0.8644 -0.8644 -0.8432 -0.8432 -0.8432 -0.8432 -0.6307 -0.6307 -0.6307 -0.6307 -0.5909 -0.5909 -0.5909 -0.5909 -0.5348 -0.5348 -0.5348 -0.5348 -0.5176 -0.5176 -0.5176 -0.5176 1.7515 1.7515 1.7515 1.7515 1.7531 1.7531 1.7531 1.7531 5.5165 5.5165 5.5165 5.5165 Writing output data file LaS.save init_run : 4.99s CPU 13.96s WALL ( 1 calls) electrons : 2233.19s CPU 2250.70s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.30s CPU 1.79s WALL ( 1 calls) Called by electrons: c_bands : 2233.10s CPU 2250.35s WALL ( 1 calls) v_of_rho : 0.06s CPU 1.12s WALL ( 1 calls) v_h : 0.02s CPU 0.02s WALL ( 1 calls) v_xc : 0.04s CPU 0.63s WALL ( 1 calls) newd : 0.57s CPU 0.72s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.52s CPU 0.71s WALL ( 340 calls) cegterg : 2092.10s CPU 2103.94s WALL ( 1526 calls) Called by sum_band: Called by *egterg: h_psi : 1224.97s CPU 1242.99s WALL ( 29945 calls) s_psi : 170.04s CPU 170.61s WALL ( 29945 calls) g_psi : 4.70s CPU 4.68s WALL ( 28079 calls) cdiaghg : 385.94s CPU 381.45s WALL ( 28419 calls) cegterg:over : 176.60s CPU 166.56s WALL ( 28079 calls) cegterg:upda : 87.08s CPU 97.12s WALL ( 28079 calls) cegterg:last : 61.18s CPU 62.99s WALL ( 4223 calls) Called by h_psi: h_psi:vloc : 833.03s CPU 845.74s WALL ( 29945 calls) h_psi:vnl : 388.54s CPU 391.81s WALL ( 29945 calls) add_vuspsi : 166.71s CPU 178.35s WALL ( 29945 calls) General routines calbec : 221.72s CPU 213.24s WALL ( 29945 calls) fft : 0.12s CPU 1.31s WALL ( 15 calls) fftw : 797.36s CPU 809.29s WALL ( 2271448 calls) davcio : 0.09s CPU 3.90s WALL ( 680 calls) Parallel routines fft_scatter : 508.30s CPU 511.57s WALL ( 2271463 calls) PWSCF : 38m48.83s CPU 41m37.00s WALL This run was terminated on: 21:10: 2 23Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=