Program PWSCF v.5.1.1 starts on 21Jul2015 at 7: 1:38 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 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: ./LaGa.save/ file Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized 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 36 30 9 972 737 117 Max 37 31 10 979 749 120 Sum 1773 1487 441 46835 35643 5655 bravais-lattice index = 14 lattice parameter (alat) = 11.7256 a.u. unit-cell volume = 747.7764 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 240.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.725608 celldm(2)= 1.000000 celldm(3)= 0.684553 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.735452 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.735452 0.677577 0.000000 ) a(3) = ( 0.000000 0.000000 0.684553 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 1.085415 -0.000000 ) b(2) = ( 0.000000 1.475847 -0.000000 ) b(3) = ( 0.000000 0.000000 1.460807 ) PseudoPot. # 1 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 PseudoPot. # 2 for Ga read from file: /home/autes/Pseudo/Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF MD5 check sum: a45069c11dc40ba088a6a50723da268c Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1205 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential La 3.00 138.90550 La( 1.00) Ga 13.00 69.72300 Ga( 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 =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.3422765 ) 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 =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.3422765 ) 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= 388 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 2) = ( 0.0070271 0.0179981 -0.0000000), wk = 0.0025773 k( 3) = ( 0.0140541 0.0359963 -0.0000000), wk = 0.0025773 k( 4) = ( 0.0210812 0.0539944 -0.0000000), wk = 0.0025773 k( 5) = ( 0.0281082 0.0719925 -0.0000000), wk = 0.0025773 k( 6) = ( 0.0351353 0.0899907 -0.0000000), wk = 0.0025773 k( 7) = ( 0.0421624 0.1079888 -0.0000000), wk = 0.0025773 k( 8) = ( 0.0491894 0.1259870 -0.0000000), wk = 0.0025773 k( 9) = ( 0.0562165 0.1439851 -0.0000000), wk = 0.0025773 k( 10) = ( 0.0632435 0.1619832 -0.0000000), wk = 0.0025773 k( 11) = ( 0.0702706 0.1799814 -0.0000000), wk = 0.0025773 k( 12) = ( 0.0772976 0.1979795 -0.0000000), wk = 0.0025773 k( 13) = ( 0.0843247 0.2159777 -0.0000000), wk = 0.0025773 k( 14) = ( 0.0913518 0.2339758 -0.0000000), wk = 0.0025773 k( 15) = ( 0.0983788 0.2519739 -0.0000000), wk = 0.0025773 k( 16) = ( 0.1054059 0.2699721 -0.0000000), wk = 0.0025773 k( 17) = ( 0.1124329 0.2879702 -0.0000000), wk = 0.0025773 k( 18) = ( 0.1194600 0.3059683 -0.0000000), wk = 0.0025773 k( 19) = ( 0.1264870 0.3239665 -0.0000000), wk = 0.0025773 k( 20) = ( 0.1335141 0.3419646 -0.0000000), wk = 0.0025773 k( 21) = ( 0.1405412 0.3599628 -0.0000000), wk = 0.0025773 k( 22) = ( 0.1475682 0.3779609 -0.0000000), wk = 0.0025773 k( 23) = ( 0.1545953 0.3959590 -0.0000000), wk = 0.0025773 k( 24) = ( 0.1616223 0.4139572 -0.0000000), wk = 0.0025773 k( 25) = ( 0.1686494 0.4319553 -0.0000000), wk = 0.0025773 k( 26) = ( 0.1756765 0.4499534 -0.0000000), wk = 0.0025773 k( 27) = ( 0.1827035 0.4679516 -0.0000000), wk = 0.0025773 k( 28) = ( 0.1897306 0.4859497 -0.0000000), wk = 0.0025773 k( 29) = ( 0.1967576 0.5039478 -0.0000000), wk = 0.0025773 k( 30) = ( 0.2037847 0.5219460 -0.0000000), wk = 0.0025773 k( 31) = ( 0.2108117 0.5399441 -0.0000000), wk = 0.0025773 k( 32) = ( 0.2178388 0.5579423 -0.0000000), wk = 0.0025773 k( 33) = ( 0.2248659 0.5759404 -0.0000000), wk = 0.0025773 k( 34) = ( 0.2318929 0.5939385 -0.0000000), wk = 0.0025773 k( 35) = ( 0.2389200 0.6119367 -0.0000000), wk = 0.0025773 k( 36) = ( 0.2459470 0.6299348 -0.0000000), wk = 0.0025773 k( 37) = ( 0.2529741 0.6479330 -0.0000000), wk = 0.0025773 k( 38) = ( 0.2600012 0.6659311 -0.0000000), wk = 0.0025773 k( 39) = ( 0.2670282 0.6839292 -0.0000000), wk = 0.0025773 k( 40) = ( 0.2740553 0.7019274 -0.0000000), wk = 0.0025773 k( 41) = ( 0.2810823 0.7199255 -0.0000000), wk = 0.0025773 k( 42) = ( 0.2881094 0.7379236 -0.0000000), wk = 0.0025773 k( 43) = ( 0.2881094 0.7379236 -0.0000000), wk = 0.0025773 k( 44) = ( 0.2689021 0.7379236 -0.0000000), wk = 0.0025773 k( 45) = ( 0.2496948 0.7379236 -0.0000000), wk = 0.0025773 k( 46) = ( 0.2304875 0.7379236 -0.0000000), wk = 0.0025773 k( 47) = ( 0.2112802 0.7379236 -0.0000000), wk = 0.0025773 k( 48) = ( 0.1920729 0.7379236 -0.0000000), wk = 0.0025773 k( 49) = ( 0.1728656 0.7379236 -0.0000000), wk = 0.0025773 k( 50) = ( 0.1536583 0.7379236 -0.0000000), wk = 0.0025773 k( 51) = ( 0.1344510 0.7379236 -0.0000000), wk = 0.0025773 k( 52) = ( 0.1152438 0.7379236 -0.0000000), wk = 0.0025773 k( 53) = ( 0.0960365 0.7379236 -0.0000000), wk = 0.0025773 k( 54) = ( 0.0768292 0.7379236 -0.0000000), wk = 0.0025773 k( 55) = ( 0.0576219 0.7379236 -0.0000000), wk = 0.0025773 k( 56) = ( 0.0384146 0.7379236 -0.0000000), wk = 0.0025773 k( 57) = ( 0.0192073 0.7379236 -0.0000000), wk = 0.0025773 k( 58) = ( 0.0000000 0.7379236 -0.0000000), wk = 0.0025773 k( 59) = ( 0.0000000 0.7379236 -0.0000000), wk = 0.0025773 k( 60) = ( 0.0000000 0.7379236 0.0197406), wk = 0.0025773 k( 61) = ( 0.0000000 0.7379236 0.0394813), wk = 0.0025773 k( 62) = ( 0.0000000 0.7379236 0.0592219), wk = 0.0025773 k( 63) = ( 0.0000000 0.7379236 0.0789626), wk = 0.0025773 k( 64) = ( 0.0000000 0.7379236 0.0987032), wk = 0.0025773 k( 65) = ( 0.0000000 0.7379236 0.1184438), wk = 0.0025773 k( 66) = ( 0.0000000 0.7379236 0.1381845), wk = 0.0025773 k( 67) = ( 0.0000000 0.7379236 0.1579251), wk = 0.0025773 k( 68) = ( 0.0000000 0.7379236 0.1776657), wk = 0.0025773 k( 69) = ( 0.0000000 0.7379236 0.1974064), wk = 0.0025773 k( 70) = ( 0.0000000 0.7379236 0.2171470), wk = 0.0025773 k( 71) = ( 0.0000000 0.7379236 0.2368877), wk = 0.0025773 k( 72) = ( 0.0000000 0.7379236 0.2566283), wk = 0.0025773 k( 73) = ( 0.0000000 0.7379236 0.2763689), wk = 0.0025773 k( 74) = ( 0.0000000 0.7379236 0.2961096), wk = 0.0025773 k( 75) = ( 0.0000000 0.7379236 0.3158502), wk = 0.0025773 k( 76) = ( 0.0000000 0.7379236 0.3355909), wk = 0.0025773 k( 77) = ( 0.0000000 0.7379236 0.3553315), wk = 0.0025773 k( 78) = ( 0.0000000 0.7379236 0.3750721), wk = 0.0025773 k( 79) = ( 0.0000000 0.7379236 0.3948128), wk = 0.0025773 k( 80) = ( 0.0000000 0.7379236 0.4145534), wk = 0.0025773 k( 81) = ( 0.0000000 0.7379236 0.4342941), wk = 0.0025773 k( 82) = ( 0.0000000 0.7379236 0.4540347), wk = 0.0025773 k( 83) = ( 0.0000000 0.7379236 0.4737753), wk = 0.0025773 k( 84) = ( 0.0000000 0.7379236 0.4935160), wk = 0.0025773 k( 85) = ( 0.0000000 0.7379236 0.5132566), wk = 0.0025773 k( 86) = ( 0.0000000 0.7379236 0.5329972), wk = 0.0025773 k( 87) = ( 0.0000000 0.7379236 0.5527379), wk = 0.0025773 k( 88) = ( 0.0000000 0.7379236 0.5724785), wk = 0.0025773 k( 89) = ( 0.0000000 0.7379236 0.5922192), wk = 0.0025773 k( 90) = ( 0.0000000 0.7379236 0.6119598), wk = 0.0025773 k( 91) = ( 0.0000000 0.7379236 0.6317004), wk = 0.0025773 k( 92) = ( 0.0000000 0.7379236 0.6514411), wk = 0.0025773 k( 93) = ( 0.0000000 0.7379236 0.6711817), wk = 0.0025773 k( 94) = ( 0.0000000 0.7379236 0.6909224), wk = 0.0025773 k( 95) = ( 0.0000000 0.7379236 0.7106630), wk = 0.0025773 k( 96) = ( 0.0000000 0.7379236 0.7304036), wk = 0.0025773 k( 97) = ( 0.0000000 0.7379236 0.7304036), wk = 0.0025773 k( 98) = ( 0.0192073 0.7379236 0.7304036), wk = 0.0025773 k( 99) = ( 0.0384146 0.7379236 0.7304036), wk = 0.0025773 k( 100) = ( 0.0576219 0.7379236 0.7304036), wk = 0.0025773 k( 101) = ( 0.0768292 0.7379236 0.7304036), wk = 0.0025773 k( 102) = ( 0.0960365 0.7379236 0.7304036), wk = 0.0025773 k( 103) = ( 0.1152438 0.7379236 0.7304036), wk = 0.0025773 k( 104) = ( 0.1344510 0.7379236 0.7304036), wk = 0.0025773 k( 105) = ( 0.1536583 0.7379236 0.7304036), wk = 0.0025773 k( 106) = ( 0.1728656 0.7379236 0.7304036), wk = 0.0025773 k( 107) = ( 0.1920729 0.7379236 0.7304036), wk = 0.0025773 k( 108) = ( 0.2112802 0.7379236 0.7304036), wk = 0.0025773 k( 109) = ( 0.2304875 0.7379236 0.7304036), wk = 0.0025773 k( 110) = ( 0.2496948 0.7379236 0.7304036), wk = 0.0025773 k( 111) = ( 0.2689021 0.7379236 0.7304036), wk = 0.0025773 k( 112) = ( 0.2881094 0.7379236 0.7304036), wk = 0.0025773 k( 113) = ( 0.2881094 0.7379236 0.7304036), wk = 0.0025773 k( 114) = ( 0.2810823 0.7199255 0.7304036), wk = 0.0025773 k( 115) = ( 0.2740553 0.7019274 0.7304036), wk = 0.0025773 k( 116) = ( 0.2670282 0.6839292 0.7304036), wk = 0.0025773 k( 117) = ( 0.2600012 0.6659311 0.7304036), wk = 0.0025773 k( 118) = ( 0.2529741 0.6479330 0.7304036), wk = 0.0025773 k( 119) = ( 0.2459470 0.6299348 0.7304036), wk = 0.0025773 k( 120) = ( 0.2389200 0.6119367 0.7304036), wk = 0.0025773 k( 121) = ( 0.2318929 0.5939385 0.7304036), wk = 0.0025773 k( 122) = ( 0.2248659 0.5759404 0.7304036), wk = 0.0025773 k( 123) = ( 0.2178388 0.5579423 0.7304036), wk = 0.0025773 k( 124) = ( 0.2108117 0.5399441 0.7304036), wk = 0.0025773 k( 125) = ( 0.2037847 0.5219460 0.7304036), wk = 0.0025773 k( 126) = ( 0.1967576 0.5039478 0.7304036), wk = 0.0025773 k( 127) = ( 0.1897306 0.4859497 0.7304036), wk = 0.0025773 k( 128) = ( 0.1827035 0.4679516 0.7304036), wk = 0.0025773 k( 129) = ( 0.1756765 0.4499534 0.7304036), wk = 0.0025773 k( 130) = ( 0.1686494 0.4319553 0.7304036), wk = 0.0025773 k( 131) = ( 0.1616223 0.4139572 0.7304036), wk = 0.0025773 k( 132) = ( 0.1545953 0.3959590 0.7304036), wk = 0.0025773 k( 133) = ( 0.1475682 0.3779609 0.7304036), wk = 0.0025773 k( 134) = ( 0.1405412 0.3599628 0.7304036), wk = 0.0025773 k( 135) = ( 0.1335141 0.3419646 0.7304036), wk = 0.0025773 k( 136) = ( 0.1264870 0.3239665 0.7304036), wk = 0.0025773 k( 137) = ( 0.1194600 0.3059683 0.7304036), wk = 0.0025773 k( 138) = ( 0.1124329 0.2879702 0.7304036), wk = 0.0025773 k( 139) = ( 0.1054059 0.2699721 0.7304036), wk = 0.0025773 k( 140) = ( 0.0983788 0.2519739 0.7304036), wk = 0.0025773 k( 141) = ( 0.0913518 0.2339758 0.7304036), wk = 0.0025773 k( 142) = ( 0.0843247 0.2159777 0.7304036), wk = 0.0025773 k( 143) = ( 0.0772976 0.1979795 0.7304036), wk = 0.0025773 k( 144) = ( 0.0702706 0.1799814 0.7304036), wk = 0.0025773 k( 145) = ( 0.0632435 0.1619832 0.7304036), wk = 0.0025773 k( 146) = ( 0.0562165 0.1439851 0.7304036), wk = 0.0025773 k( 147) = ( 0.0491894 0.1259870 0.7304036), wk = 0.0025773 k( 148) = ( 0.0421624 0.1079888 0.7304036), wk = 0.0025773 k( 149) = ( 0.0351353 0.0899907 0.7304036), wk = 0.0025773 k( 150) = ( 0.0281082 0.0719925 0.7304036), wk = 0.0025773 k( 151) = ( 0.0210812 0.0539944 0.7304036), wk = 0.0025773 k( 152) = ( 0.0140541 0.0359963 0.7304036), wk = 0.0025773 k( 153) = ( 0.0070271 0.0179981 0.7304036), wk = 0.0025773 k( 154) = ( 0.0000000 0.0000000 0.7304036), wk = 0.0025773 k( 155) = ( 0.0000000 0.0000000 0.7304036), wk = 0.0025773 k( 156) = ( 0.0000000 0.0000000 0.7106630), wk = 0.0025773 k( 157) = ( 0.0000000 0.0000000 0.6909224), wk = 0.0025773 k( 158) = ( 0.0000000 0.0000000 0.6711817), wk = 0.0025773 k( 159) = ( 0.0000000 0.0000000 0.6514411), wk = 0.0025773 k( 160) = ( 0.0000000 0.0000000 0.6317004), wk = 0.0025773 k( 161) = ( 0.0000000 0.0000000 0.6119598), wk = 0.0025773 k( 162) = ( 0.0000000 0.0000000 0.5922192), wk = 0.0025773 k( 163) = ( 0.0000000 0.0000000 0.5724785), wk = 0.0025773 k( 164) = ( 0.0000000 0.0000000 0.5527379), wk = 0.0025773 k( 165) = ( 0.0000000 0.0000000 0.5329972), wk = 0.0025773 k( 166) = ( 0.0000000 0.0000000 0.5132566), wk = 0.0025773 k( 167) = ( 0.0000000 0.0000000 0.4935160), wk = 0.0025773 k( 168) = ( 0.0000000 0.0000000 0.4737753), wk = 0.0025773 k( 169) = ( 0.0000000 0.0000000 0.4540347), wk = 0.0025773 k( 170) = ( 0.0000000 0.0000000 0.4342941), wk = 0.0025773 k( 171) = ( 0.0000000 0.0000000 0.4145534), wk = 0.0025773 k( 172) = ( 0.0000000 0.0000000 0.3948128), wk = 0.0025773 k( 173) = ( 0.0000000 0.0000000 0.3750721), wk = 0.0025773 k( 174) = ( 0.0000000 0.0000000 0.3553315), wk = 0.0025773 k( 175) = ( 0.0000000 0.0000000 0.3355909), wk = 0.0025773 k( 176) = ( 0.0000000 0.0000000 0.3158502), wk = 0.0025773 k( 177) = ( 0.0000000 0.0000000 0.2961096), wk = 0.0025773 k( 178) = ( 0.0000000 0.0000000 0.2763689), wk = 0.0025773 k( 179) = ( 0.0000000 0.0000000 0.2566283), wk = 0.0025773 k( 180) = ( 0.0000000 0.0000000 0.2368877), wk = 0.0025773 k( 181) = ( 0.0000000 0.0000000 0.2171470), wk = 0.0025773 k( 182) = ( 0.0000000 0.0000000 0.1974064), wk = 0.0025773 k( 183) = ( 0.0000000 0.0000000 0.1776657), wk = 0.0025773 k( 184) = ( 0.0000000 0.0000000 0.1579251), wk = 0.0025773 k( 185) = ( 0.0000000 0.0000000 0.1381845), wk = 0.0025773 k( 186) = ( 0.0000000 0.0000000 0.1184438), wk = 0.0025773 k( 187) = ( 0.0000000 0.0000000 0.0987032), wk = 0.0025773 k( 188) = ( 0.0000000 0.0000000 0.0789626), wk = 0.0025773 k( 189) = ( 0.0000000 0.0000000 0.0592219), wk = 0.0025773 k( 190) = ( 0.0000000 0.0000000 0.0394813), wk = 0.0025773 k( 191) = ( 0.0000000 0.0000000 0.0197406), wk = 0.0025773 k( 192) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 193) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 194) = ( -0.0178571 0.0069720 0.0000000), wk = 0.0025773 k( 195) = ( -0.0357143 0.0139440 0.0000000), wk = 0.0025773 k( 196) = ( -0.0535714 0.0209160 0.0000000), wk = 0.0025773 k( 197) = ( -0.0714286 0.0278880 0.0000000), wk = 0.0025773 k( 198) = ( -0.0892857 0.0348600 0.0000000), wk = 0.0025773 k( 199) = ( -0.1071429 0.0418321 0.0000000), wk = 0.0025773 k( 200) = ( -0.1250000 0.0488041 0.0000000), wk = 0.0025773 k( 201) = ( -0.1428571 0.0557761 0.0000000), wk = 0.0025773 k( 202) = ( -0.1607143 0.0627481 0.0000000), wk = 0.0025773 k( 203) = ( -0.1785714 0.0697201 0.0000000), wk = 0.0025773 k( 204) = ( -0.1964286 0.0766921 0.0000000), wk = 0.0025773 k( 205) = ( -0.2142857 0.0836641 0.0000000), wk = 0.0025773 k( 206) = ( -0.2321429 0.0906361 0.0000000), wk = 0.0025773 k( 207) = ( -0.2500000 0.0976081 0.0000000), wk = 0.0025773 k( 208) = ( -0.2678571 0.1045801 0.0000000), wk = 0.0025773 k( 209) = ( -0.2857143 0.1115522 0.0000000), wk = 0.0025773 k( 210) = ( -0.3035714 0.1185242 0.0000000), wk = 0.0025773 k( 211) = ( -0.3214286 0.1254962 0.0000000), wk = 0.0025773 k( 212) = ( -0.3392857 0.1324682 0.0000000), wk = 0.0025773 k( 213) = ( -0.3571429 0.1394402 0.0000000), wk = 0.0025773 k( 214) = ( -0.3750000 0.1464122 0.0000000), wk = 0.0025773 k( 215) = ( -0.3928571 0.1533842 0.0000000), wk = 0.0025773 k( 216) = ( -0.4107143 0.1603562 0.0000000), wk = 0.0025773 k( 217) = ( -0.4285714 0.1673282 0.0000000), wk = 0.0025773 k( 218) = ( -0.4464286 0.1743002 0.0000000), wk = 0.0025773 k( 219) = ( -0.4642857 0.1812722 0.0000000), wk = 0.0025773 k( 220) = ( -0.4821429 0.1882443 0.0000000), wk = 0.0025773 k( 221) = ( -0.5000000 0.1952163 0.0000000), wk = 0.0025773 k( 222) = ( -0.5000000 0.1952163 0.0000000), wk = 0.0025773 k( 223) = ( -0.4929370 0.2133065 -0.0000000), wk = 0.0025773 k( 224) = ( -0.4858740 0.2313968 -0.0000000), wk = 0.0025773 k( 225) = ( -0.4788109 0.2494870 -0.0000000), wk = 0.0025773 k( 226) = ( -0.4717479 0.2675772 -0.0000000), wk = 0.0025773 k( 227) = ( -0.4646849 0.2856675 -0.0000000), wk = 0.0025773 k( 228) = ( -0.4576219 0.3037577 -0.0000000), wk = 0.0025773 k( 229) = ( -0.4505589 0.3218480 -0.0000000), wk = 0.0025773 k( 230) = ( -0.4434958 0.3399382 -0.0000000), wk = 0.0025773 k( 231) = ( -0.4364328 0.3580285 -0.0000000), wk = 0.0025773 k( 232) = ( -0.4293698 0.3761187 -0.0000000), wk = 0.0025773 k( 233) = ( -0.4223068 0.3942090 -0.0000000), wk = 0.0025773 k( 234) = ( -0.4152438 0.4122992 -0.0000000), wk = 0.0025773 k( 235) = ( -0.4081807 0.4303894 -0.0000000), wk = 0.0025773 k( 236) = ( -0.4011177 0.4484797 -0.0000000), wk = 0.0025773 k( 237) = ( -0.3940547 0.4665700 -0.0000000), wk = 0.0025773 k( 238) = ( -0.3869917 0.4846602 -0.0000000), wk = 0.0025773 k( 239) = ( -0.3799286 0.5027505 -0.0000000), wk = 0.0025773 k( 240) = ( -0.3728656 0.5208407 -0.0000000), wk = 0.0025773 k( 241) = ( -0.3658026 0.5389309 -0.0000000), wk = 0.0025773 k( 242) = ( -0.3587396 0.5570212 -0.0000000), wk = 0.0025773 k( 243) = ( -0.3516766 0.5751114 -0.0000000), wk = 0.0025773 k( 244) = ( -0.3446135 0.5932017 -0.0000000), wk = 0.0025773 k( 245) = ( -0.3375505 0.6112919 -0.0000000), wk = 0.0025773 k( 246) = ( -0.3304875 0.6293822 -0.0000000), wk = 0.0025773 k( 247) = ( -0.3234245 0.6474724 -0.0000000), wk = 0.0025773 k( 248) = ( -0.3163615 0.6655627 -0.0000000), wk = 0.0025773 k( 249) = ( -0.3092985 0.6836529 -0.0000000), wk = 0.0025773 k( 250) = ( -0.3022354 0.7017431 -0.0000000), wk = 0.0025773 k( 251) = ( -0.2951724 0.7198334 -0.0000000), wk = 0.0025773 k( 252) = ( -0.2881094 0.7379236 -0.0000000), wk = 0.0025773 k( 253) = ( -0.2881094 0.7379236 -0.0000000), wk = 0.0025773 k( 254) = ( -0.2881094 0.7379236 0.0197406), wk = 0.0025773 k( 255) = ( -0.2881094 0.7379236 0.0394813), wk = 0.0025773 k( 256) = ( -0.2881094 0.7379236 0.0592219), wk = 0.0025773 k( 257) = ( -0.2881094 0.7379236 0.0789626), wk = 0.0025773 k( 258) = ( -0.2881094 0.7379236 0.0987032), wk = 0.0025773 k( 259) = ( -0.2881094 0.7379236 0.1184438), wk = 0.0025773 k( 260) = ( -0.2881094 0.7379236 0.1381845), wk = 0.0025773 k( 261) = ( -0.2881094 0.7379236 0.1579251), wk = 0.0025773 k( 262) = ( -0.2881094 0.7379236 0.1776657), wk = 0.0025773 k( 263) = ( -0.2881094 0.7379236 0.1974064), wk = 0.0025773 k( 264) = ( -0.2881094 0.7379236 0.2171470), wk = 0.0025773 k( 265) = ( -0.2881094 0.7379236 0.2368877), wk = 0.0025773 k( 266) = ( -0.2881094 0.7379236 0.2566283), wk = 0.0025773 k( 267) = ( -0.2881094 0.7379236 0.2763689), wk = 0.0025773 k( 268) = ( -0.2881094 0.7379236 0.2961096), wk = 0.0025773 k( 269) = ( -0.2881094 0.7379236 0.3158502), wk = 0.0025773 k( 270) = ( -0.2881094 0.7379236 0.3355909), wk = 0.0025773 k( 271) = ( -0.2881094 0.7379236 0.3553315), wk = 0.0025773 k( 272) = ( -0.2881094 0.7379236 0.3750721), wk = 0.0025773 k( 273) = ( -0.2881094 0.7379236 0.3948128), wk = 0.0025773 k( 274) = ( -0.2881094 0.7379236 0.4145534), wk = 0.0025773 k( 275) = ( -0.2881094 0.7379236 0.4342941), wk = 0.0025773 k( 276) = ( -0.2881094 0.7379236 0.4540347), wk = 0.0025773 k( 277) = ( -0.2881094 0.7379236 0.4737753), wk = 0.0025773 k( 278) = ( -0.2881094 0.7379236 0.4935160), wk = 0.0025773 k( 279) = ( -0.2881094 0.7379236 0.5132566), wk = 0.0025773 k( 280) = ( -0.2881094 0.7379236 0.5329972), wk = 0.0025773 k( 281) = ( -0.2881094 0.7379236 0.5527379), wk = 0.0025773 k( 282) = ( -0.2881094 0.7379236 0.5724785), wk = 0.0025773 k( 283) = ( -0.2881094 0.7379236 0.5922192), wk = 0.0025773 k( 284) = ( -0.2881094 0.7379236 0.6119598), wk = 0.0025773 k( 285) = ( -0.2881094 0.7379236 0.6317004), wk = 0.0025773 k( 286) = ( -0.2881094 0.7379236 0.6514411), wk = 0.0025773 k( 287) = ( -0.2881094 0.7379236 0.6711817), wk = 0.0025773 k( 288) = ( -0.2881094 0.7379236 0.6909224), wk = 0.0025773 k( 289) = ( -0.2881094 0.7379236 0.7106630), wk = 0.0025773 k( 290) = ( -0.2881094 0.7379236 0.7304036), wk = 0.0025773 k( 291) = ( -0.2881094 0.7379236 0.7304036), wk = 0.0025773 k( 292) = ( -0.2951724 0.7198334 0.7304036), wk = 0.0025773 k( 293) = ( -0.3022354 0.7017431 0.7304036), wk = 0.0025773 k( 294) = ( -0.3092985 0.6836529 0.7304036), wk = 0.0025773 k( 295) = ( -0.3163615 0.6655627 0.7304036), wk = 0.0025773 k( 296) = ( -0.3234245 0.6474724 0.7304036), wk = 0.0025773 k( 297) = ( -0.3304875 0.6293822 0.7304036), wk = 0.0025773 k( 298) = ( -0.3375505 0.6112919 0.7304036), wk = 0.0025773 k( 299) = ( -0.3446135 0.5932017 0.7304036), wk = 0.0025773 k( 300) = ( -0.3516766 0.5751114 0.7304036), wk = 0.0025773 k( 301) = ( -0.3587396 0.5570212 0.7304036), wk = 0.0025773 k( 302) = ( -0.3658026 0.5389309 0.7304036), wk = 0.0025773 k( 303) = ( -0.3728656 0.5208407 0.7304036), wk = 0.0025773 k( 304) = ( -0.3799286 0.5027505 0.7304036), wk = 0.0025773 k( 305) = ( -0.3869917 0.4846602 0.7304036), wk = 0.0025773 k( 306) = ( -0.3940547 0.4665700 0.7304036), wk = 0.0025773 k( 307) = ( -0.4011177 0.4484797 0.7304036), wk = 0.0025773 k( 308) = ( -0.4081807 0.4303894 0.7304036), wk = 0.0025773 k( 309) = ( -0.4152438 0.4122992 0.7304036), wk = 0.0025773 k( 310) = ( -0.4223068 0.3942090 0.7304036), wk = 0.0025773 k( 311) = ( -0.4293698 0.3761187 0.7304036), wk = 0.0025773 k( 312) = ( -0.4364328 0.3580285 0.7304036), wk = 0.0025773 k( 313) = ( -0.4434958 0.3399382 0.7304036), wk = 0.0025773 k( 314) = ( -0.4505589 0.3218480 0.7304036), wk = 0.0025773 k( 315) = ( -0.4576219 0.3037577 0.7304036), wk = 0.0025773 k( 316) = ( -0.4646849 0.2856675 0.7304036), wk = 0.0025773 k( 317) = ( -0.4717479 0.2675772 0.7304036), wk = 0.0025773 k( 318) = ( -0.4788109 0.2494870 0.7304036), wk = 0.0025773 k( 319) = ( -0.4858740 0.2313968 0.7304036), wk = 0.0025773 k( 320) = ( -0.4929370 0.2133065 0.7304036), wk = 0.0025773 k( 321) = ( -0.5000000 0.1952163 0.7304036), wk = 0.0025773 k( 322) = ( -0.5000000 0.1952163 0.7304036), wk = 0.0025773 k( 323) = ( -0.5000000 0.1952163 0.7106630), wk = 0.0025773 k( 324) = ( -0.5000000 0.1952163 0.6909224), wk = 0.0025773 k( 325) = ( -0.5000000 0.1952163 0.6711817), wk = 0.0025773 k( 326) = ( -0.5000000 0.1952163 0.6514411), wk = 0.0025773 k( 327) = ( -0.5000000 0.1952163 0.6317004), wk = 0.0025773 k( 328) = ( -0.5000000 0.1952163 0.6119598), wk = 0.0025773 k( 329) = ( -0.5000000 0.1952163 0.5922192), wk = 0.0025773 k( 330) = ( -0.5000000 0.1952163 0.5724785), wk = 0.0025773 k( 331) = ( -0.5000000 0.1952163 0.5527379), wk = 0.0025773 k( 332) = ( -0.5000000 0.1952163 0.5329972), wk = 0.0025773 k( 333) = ( -0.5000000 0.1952163 0.5132566), wk = 0.0025773 k( 334) = ( -0.5000000 0.1952163 0.4935160), wk = 0.0025773 k( 335) = ( -0.5000000 0.1952163 0.4737753), wk = 0.0025773 k( 336) = ( -0.5000000 0.1952163 0.4540347), wk = 0.0025773 k( 337) = ( -0.5000000 0.1952163 0.4342941), wk = 0.0025773 k( 338) = ( -0.5000000 0.1952163 0.4145534), wk = 0.0025773 k( 339) = ( -0.5000000 0.1952163 0.3948128), wk = 0.0025773 k( 340) = ( -0.5000000 0.1952163 0.3750721), wk = 0.0025773 k( 341) = ( -0.5000000 0.1952163 0.3553315), wk = 0.0025773 k( 342) = ( -0.5000000 0.1952163 0.3355909), wk = 0.0025773 k( 343) = ( -0.5000000 0.1952163 0.3158502), wk = 0.0025773 k( 344) = ( -0.5000000 0.1952163 0.2961096), wk = 0.0025773 k( 345) = ( -0.5000000 0.1952163 0.2763689), wk = 0.0025773 k( 346) = ( -0.5000000 0.1952163 0.2566283), wk = 0.0025773 k( 347) = ( -0.5000000 0.1952163 0.2368877), wk = 0.0025773 k( 348) = ( -0.5000000 0.1952163 0.2171470), wk = 0.0025773 k( 349) = ( -0.5000000 0.1952163 0.1974064), wk = 0.0025773 k( 350) = ( -0.5000000 0.1952163 0.1776657), wk = 0.0025773 k( 351) = ( -0.5000000 0.1952163 0.1579251), wk = 0.0025773 k( 352) = ( -0.5000000 0.1952163 0.1381845), wk = 0.0025773 k( 353) = ( -0.5000000 0.1952163 0.1184438), wk = 0.0025773 k( 354) = ( -0.5000000 0.1952163 0.0987032), wk = 0.0025773 k( 355) = ( -0.5000000 0.1952163 0.0789626), wk = 0.0025773 k( 356) = ( -0.5000000 0.1952163 0.0592219), wk = 0.0025773 k( 357) = ( -0.5000000 0.1952163 0.0394813), wk = 0.0025773 k( 358) = ( -0.5000000 0.1952163 0.0197406), wk = 0.0025773 k( 359) = ( -0.5000000 0.1952163 0.0000000), wk = 0.0025773 k( 360) = ( 0.0000000 0.0000000 0.7304036), wk = 0.0025773 k( 361) = ( -0.0178571 0.0069720 0.7304036), wk = 0.0025773 k( 362) = ( -0.0357143 0.0139440 0.7304036), wk = 0.0025773 k( 363) = ( -0.0535714 0.0209160 0.7304036), wk = 0.0025773 k( 364) = ( -0.0714286 0.0278880 0.7304036), wk = 0.0025773 k( 365) = ( -0.0892857 0.0348600 0.7304036), wk = 0.0025773 k( 366) = ( -0.1071429 0.0418321 0.7304036), wk = 0.0025773 k( 367) = ( -0.1250000 0.0488041 0.7304036), wk = 0.0025773 k( 368) = ( -0.1428571 0.0557761 0.7304036), wk = 0.0025773 k( 369) = ( -0.1607143 0.0627481 0.7304036), wk = 0.0025773 k( 370) = ( -0.1785714 0.0697201 0.7304036), wk = 0.0025773 k( 371) = ( -0.1964286 0.0766921 0.7304036), wk = 0.0025773 k( 372) = ( -0.2142857 0.0836641 0.7304036), wk = 0.0025773 k( 373) = ( -0.2321429 0.0906361 0.7304036), wk = 0.0025773 k( 374) = ( -0.2500000 0.0976081 0.7304036), wk = 0.0025773 k( 375) = ( -0.2678571 0.1045801 0.7304036), wk = 0.0025773 k( 376) = ( -0.2857143 0.1115522 0.7304036), wk = 0.0025773 k( 377) = ( -0.3035714 0.1185242 0.7304036), wk = 0.0025773 k( 378) = ( -0.3214286 0.1254962 0.7304036), wk = 0.0025773 k( 379) = ( -0.3392857 0.1324682 0.7304036), wk = 0.0025773 k( 380) = ( -0.3571429 0.1394402 0.7304036), wk = 0.0025773 k( 381) = ( -0.3750000 0.1464122 0.7304036), wk = 0.0025773 k( 382) = ( -0.3928571 0.1533842 0.7304036), wk = 0.0025773 k( 383) = ( -0.4107143 0.1603562 0.7304036), wk = 0.0025773 k( 384) = ( -0.4285714 0.1673282 0.7304036), wk = 0.0025773 k( 385) = ( -0.4464286 0.1743002 0.7304036), wk = 0.0025773 k( 386) = ( -0.4642857 0.1812722 0.7304036), wk = 0.0025773 k( 387) = ( -0.4821429 0.1882443 0.7304036), wk = 0.0025773 k( 388) = ( -0.5000000 0.1952163 0.7304036), wk = 0.0025773 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 2) = ( 0.0070271 0.0070271 0.0000000), wk = 0.0025773 k( 3) = ( 0.0140541 0.0140541 0.0000000), wk = 0.0025773 k( 4) = ( 0.0210812 0.0210812 0.0000000), wk = 0.0025773 k( 5) = ( 0.0281082 0.0281082 0.0000000), wk = 0.0025773 k( 6) = ( 0.0351353 0.0351353 0.0000000), wk = 0.0025773 k( 7) = ( 0.0421624 0.0421624 0.0000000), wk = 0.0025773 k( 8) = ( 0.0491894 0.0491894 0.0000000), wk = 0.0025773 k( 9) = ( 0.0562165 0.0562165 0.0000000), wk = 0.0025773 k( 10) = ( 0.0632435 0.0632435 0.0000000), wk = 0.0025773 k( 11) = ( 0.0702706 0.0702706 0.0000000), wk = 0.0025773 k( 12) = ( 0.0772976 0.0772976 0.0000000), wk = 0.0025773 k( 13) = ( 0.0843247 0.0843247 0.0000000), wk = 0.0025773 k( 14) = ( 0.0913518 0.0913518 -0.0000000), wk = 0.0025773 k( 15) = ( 0.0983788 0.0983788 0.0000000), wk = 0.0025773 k( 16) = ( 0.1054059 0.1054059 0.0000000), wk = 0.0025773 k( 17) = ( 0.1124329 0.1124329 0.0000000), wk = 0.0025773 k( 18) = ( 0.1194600 0.1194600 0.0000000), wk = 0.0025773 k( 19) = ( 0.1264870 0.1264870 -0.0000000), wk = 0.0025773 k( 20) = ( 0.1335141 0.1335141 -0.0000000), wk = 0.0025773 k( 21) = ( 0.1405412 0.1405412 0.0000000), wk = 0.0025773 k( 22) = ( 0.1475682 0.1475682 0.0000000), wk = 0.0025773 k( 23) = ( 0.1545953 0.1545953 0.0000000), wk = 0.0025773 k( 24) = ( 0.1616223 0.1616223 -0.0000000), wk = 0.0025773 k( 25) = ( 0.1686494 0.1686494 0.0000000), wk = 0.0025773 k( 26) = ( 0.1756765 0.1756765 0.0000000), wk = 0.0025773 k( 27) = ( 0.1827035 0.1827035 -0.0000000), wk = 0.0025773 k( 28) = ( 0.1897306 0.1897306 0.0000000), wk = 0.0025773 k( 29) = ( 0.1967576 0.1967576 0.0000000), wk = 0.0025773 k( 30) = ( 0.2037847 0.2037847 0.0000000), wk = 0.0025773 k( 31) = ( 0.2108117 0.2108118 0.0000000), wk = 0.0025773 k( 32) = ( 0.2178388 0.2178388 0.0000000), wk = 0.0025773 k( 33) = ( 0.2248659 0.2248659 0.0000000), wk = 0.0025773 k( 34) = ( 0.2318929 0.2318929 0.0000000), wk = 0.0025773 k( 35) = ( 0.2389200 0.2389200 0.0000000), wk = 0.0025773 k( 36) = ( 0.2459470 0.2459470 0.0000000), wk = 0.0025773 k( 37) = ( 0.2529741 0.2529741 -0.0000000), wk = 0.0025773 k( 38) = ( 0.2600012 0.2600012 0.0000000), wk = 0.0025773 k( 39) = ( 0.2670282 0.2670282 0.0000000), wk = 0.0025773 k( 40) = ( 0.2740553 0.2740553 0.0000000), wk = 0.0025773 k( 41) = ( 0.2810823 0.2810823 0.0000000), wk = 0.0025773 k( 42) = ( 0.2881094 0.2881094 -0.0000000), wk = 0.0025773 k( 43) = ( 0.2881094 0.2881094 -0.0000000), wk = 0.0025773 k( 44) = ( 0.2689021 0.3022354 0.0000000), wk = 0.0025773 k( 45) = ( 0.2496948 0.3163615 0.0000000), wk = 0.0025773 k( 46) = ( 0.2304875 0.3304875 0.0000000), wk = 0.0025773 k( 47) = ( 0.2112802 0.3446136 0.0000000), wk = 0.0025773 k( 48) = ( 0.1920729 0.3587396 0.0000000), wk = 0.0025773 k( 49) = ( 0.1728656 0.3728656 0.0000000), wk = 0.0025773 k( 50) = ( 0.1536583 0.3869917 0.0000000), wk = 0.0025773 k( 51) = ( 0.1344510 0.4011177 0.0000000), wk = 0.0025773 k( 52) = ( 0.1152438 0.4152438 0.0000000), wk = 0.0025773 k( 53) = ( 0.0960365 0.4293698 0.0000000), wk = 0.0025773 k( 54) = ( 0.0768292 0.4434958 0.0000000), wk = 0.0025773 k( 55) = ( 0.0576219 0.4576219 0.0000000), wk = 0.0025773 k( 56) = ( 0.0384146 0.4717479 0.0000000), wk = 0.0025773 k( 57) = ( 0.0192073 0.4858740 0.0000000), wk = 0.0025773 k( 58) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025773 k( 59) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025773 k( 60) = ( 0.0000000 0.5000000 0.0135135), wk = 0.0025773 k( 61) = ( 0.0000000 0.5000000 0.0270270), wk = 0.0025773 k( 62) = ( 0.0000000 0.5000000 0.0405405), wk = 0.0025773 k( 63) = ( 0.0000000 0.5000000 0.0540540), wk = 0.0025773 k( 64) = ( 0.0000000 0.5000000 0.0675676), wk = 0.0025773 k( 65) = ( 0.0000000 0.5000000 0.0810811), wk = 0.0025773 k( 66) = ( 0.0000000 0.5000000 0.0945946), wk = 0.0025773 k( 67) = ( 0.0000000 0.5000000 0.1081081), wk = 0.0025773 k( 68) = ( 0.0000000 0.5000000 0.1216216), wk = 0.0025773 k( 69) = ( 0.0000000 0.5000000 0.1351351), wk = 0.0025773 k( 70) = ( 0.0000000 0.5000000 0.1486486), wk = 0.0025773 k( 71) = ( 0.0000000 0.5000000 0.1621622), wk = 0.0025773 k( 72) = ( 0.0000000 0.5000000 0.1756757), wk = 0.0025773 k( 73) = ( 0.0000000 0.5000000 0.1891892), wk = 0.0025773 k( 74) = ( 0.0000000 0.5000000 0.2027027), wk = 0.0025773 k( 75) = ( 0.0000000 0.5000000 0.2162162), wk = 0.0025773 k( 76) = ( 0.0000000 0.5000000 0.2297297), wk = 0.0025773 k( 77) = ( 0.0000000 0.5000000 0.2432432), wk = 0.0025773 k( 78) = ( 0.0000000 0.5000000 0.2567568), wk = 0.0025773 k( 79) = ( 0.0000000 0.5000000 0.2702703), wk = 0.0025773 k( 80) = ( 0.0000000 0.5000000 0.2837838), wk = 0.0025773 k( 81) = ( 0.0000000 0.5000000 0.2972973), wk = 0.0025773 k( 82) = ( 0.0000000 0.5000000 0.3108108), wk = 0.0025773 k( 83) = ( 0.0000000 0.5000000 0.3243243), wk = 0.0025773 k( 84) = ( 0.0000000 0.5000000 0.3378378), wk = 0.0025773 k( 85) = ( 0.0000000 0.5000000 0.3513513), wk = 0.0025773 k( 86) = ( 0.0000000 0.5000000 0.3648649), wk = 0.0025773 k( 87) = ( 0.0000000 0.5000000 0.3783784), wk = 0.0025773 k( 88) = ( 0.0000000 0.5000000 0.3918919), wk = 0.0025773 k( 89) = ( 0.0000000 0.5000000 0.4054054), wk = 0.0025773 k( 90) = ( 0.0000000 0.5000000 0.4189189), wk = 0.0025773 k( 91) = ( 0.0000000 0.5000000 0.4324324), wk = 0.0025773 k( 92) = ( 0.0000000 0.5000000 0.4459459), wk = 0.0025773 k( 93) = ( 0.0000000 0.5000000 0.4594595), wk = 0.0025773 k( 94) = ( 0.0000000 0.5000000 0.4729730), wk = 0.0025773 k( 95) = ( 0.0000000 0.5000000 0.4864865), wk = 0.0025773 k( 96) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025773 k( 97) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025773 k( 98) = ( 0.0192073 0.4858740 0.5000000), wk = 0.0025773 k( 99) = ( 0.0384146 0.4717479 0.5000000), wk = 0.0025773 k( 100) = ( 0.0576219 0.4576219 0.5000000), wk = 0.0025773 k( 101) = ( 0.0768292 0.4434958 0.5000000), wk = 0.0025773 k( 102) = ( 0.0960365 0.4293698 0.5000000), wk = 0.0025773 k( 103) = ( 0.1152438 0.4152438 0.5000000), wk = 0.0025773 k( 104) = ( 0.1344510 0.4011177 0.5000000), wk = 0.0025773 k( 105) = ( 0.1536583 0.3869917 0.5000000), wk = 0.0025773 k( 106) = ( 0.1728656 0.3728656 0.5000000), wk = 0.0025773 k( 107) = ( 0.1920729 0.3587396 0.5000000), wk = 0.0025773 k( 108) = ( 0.2112802 0.3446136 0.5000000), wk = 0.0025773 k( 109) = ( 0.2304875 0.3304875 0.5000000), wk = 0.0025773 k( 110) = ( 0.2496948 0.3163615 0.5000000), wk = 0.0025773 k( 111) = ( 0.2689021 0.3022354 0.5000000), wk = 0.0025773 k( 112) = ( 0.2881094 0.2881094 0.5000000), wk = 0.0025773 k( 113) = ( 0.2881094 0.2881094 0.5000000), wk = 0.0025773 k( 114) = ( 0.2810823 0.2810823 0.5000000), wk = 0.0025773 k( 115) = ( 0.2740553 0.2740553 0.5000000), wk = 0.0025773 k( 116) = ( 0.2670282 0.2670282 0.5000000), wk = 0.0025773 k( 117) = ( 0.2600012 0.2600012 0.5000000), wk = 0.0025773 k( 118) = ( 0.2529741 0.2529741 0.5000000), wk = 0.0025773 k( 119) = ( 0.2459470 0.2459470 0.5000000), wk = 0.0025773 k( 120) = ( 0.2389200 0.2389200 0.5000000), wk = 0.0025773 k( 121) = ( 0.2318929 0.2318929 0.5000000), wk = 0.0025773 k( 122) = ( 0.2248659 0.2248659 0.5000000), wk = 0.0025773 k( 123) = ( 0.2178388 0.2178388 0.5000000), wk = 0.0025773 k( 124) = ( 0.2108117 0.2108118 0.5000000), wk = 0.0025773 k( 125) = ( 0.2037847 0.2037847 0.5000000), wk = 0.0025773 k( 126) = ( 0.1967576 0.1967576 0.5000000), wk = 0.0025773 k( 127) = ( 0.1897306 0.1897306 0.5000000), wk = 0.0025773 k( 128) = ( 0.1827035 0.1827035 0.5000000), wk = 0.0025773 k( 129) = ( 0.1756765 0.1756765 0.5000000), wk = 0.0025773 k( 130) = ( 0.1686494 0.1686494 0.5000000), wk = 0.0025773 k( 131) = ( 0.1616223 0.1616223 0.5000000), wk = 0.0025773 k( 132) = ( 0.1545953 0.1545953 0.5000000), wk = 0.0025773 k( 133) = ( 0.1475682 0.1475682 0.5000000), wk = 0.0025773 k( 134) = ( 0.1405412 0.1405412 0.5000000), wk = 0.0025773 k( 135) = ( 0.1335141 0.1335141 0.5000000), wk = 0.0025773 k( 136) = ( 0.1264870 0.1264870 0.5000000), wk = 0.0025773 k( 137) = ( 0.1194600 0.1194600 0.5000000), wk = 0.0025773 k( 138) = ( 0.1124329 0.1124329 0.5000000), wk = 0.0025773 k( 139) = ( 0.1054059 0.1054059 0.5000000), wk = 0.0025773 k( 140) = ( 0.0983788 0.0983788 0.5000000), wk = 0.0025773 k( 141) = ( 0.0913518 0.0913518 0.5000000), wk = 0.0025773 k( 142) = ( 0.0843247 0.0843247 0.5000000), wk = 0.0025773 k( 143) = ( 0.0772976 0.0772976 0.5000000), wk = 0.0025773 k( 144) = ( 0.0702706 0.0702706 0.5000000), wk = 0.0025773 k( 145) = ( 0.0632435 0.0632435 0.5000000), wk = 0.0025773 k( 146) = ( 0.0562165 0.0562165 0.5000000), wk = 0.0025773 k( 147) = ( 0.0491894 0.0491894 0.5000000), wk = 0.0025773 k( 148) = ( 0.0421624 0.0421624 0.5000000), wk = 0.0025773 k( 149) = ( 0.0351353 0.0351353 0.5000000), wk = 0.0025773 k( 150) = ( 0.0281082 0.0281082 0.5000000), wk = 0.0025773 k( 151) = ( 0.0210812 0.0210812 0.5000000), wk = 0.0025773 k( 152) = ( 0.0140541 0.0140541 0.5000000), wk = 0.0025773 k( 153) = ( 0.0070271 0.0070271 0.5000000), wk = 0.0025773 k( 154) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025773 k( 155) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025773 k( 156) = ( 0.0000000 0.0000000 0.4864865), wk = 0.0025773 k( 157) = ( 0.0000000 0.0000000 0.4729730), wk = 0.0025773 k( 158) = ( 0.0000000 0.0000000 0.4594595), wk = 0.0025773 k( 159) = ( 0.0000000 0.0000000 0.4459459), wk = 0.0025773 k( 160) = ( 0.0000000 0.0000000 0.4324324), wk = 0.0025773 k( 161) = ( 0.0000000 0.0000000 0.4189189), wk = 0.0025773 k( 162) = ( 0.0000000 0.0000000 0.4054054), wk = 0.0025773 k( 163) = ( 0.0000000 0.0000000 0.3918919), wk = 0.0025773 k( 164) = ( 0.0000000 0.0000000 0.3783784), wk = 0.0025773 k( 165) = ( 0.0000000 0.0000000 0.3648649), wk = 0.0025773 k( 166) = ( 0.0000000 0.0000000 0.3513514), wk = 0.0025773 k( 167) = ( 0.0000000 0.0000000 0.3378378), wk = 0.0025773 k( 168) = ( 0.0000000 0.0000000 0.3243243), wk = 0.0025773 k( 169) = ( 0.0000000 0.0000000 0.3108108), wk = 0.0025773 k( 170) = ( 0.0000000 0.0000000 0.2972973), wk = 0.0025773 k( 171) = ( 0.0000000 0.0000000 0.2837838), wk = 0.0025773 k( 172) = ( 0.0000000 0.0000000 0.2702703), wk = 0.0025773 k( 173) = ( 0.0000000 0.0000000 0.2567568), wk = 0.0025773 k( 174) = ( 0.0000000 0.0000000 0.2432432), wk = 0.0025773 k( 175) = ( 0.0000000 0.0000000 0.2297297), wk = 0.0025773 k( 176) = ( 0.0000000 0.0000000 0.2162162), wk = 0.0025773 k( 177) = ( 0.0000000 0.0000000 0.2027027), wk = 0.0025773 k( 178) = ( 0.0000000 0.0000000 0.1891892), wk = 0.0025773 k( 179) = ( 0.0000000 0.0000000 0.1756757), wk = 0.0025773 k( 180) = ( 0.0000000 0.0000000 0.1621622), wk = 0.0025773 k( 181) = ( 0.0000000 0.0000000 0.1486486), wk = 0.0025773 k( 182) = ( 0.0000000 0.0000000 0.1351351), wk = 0.0025773 k( 183) = ( 0.0000000 0.0000000 0.1216216), wk = 0.0025773 k( 184) = ( 0.0000000 0.0000000 0.1081081), wk = 0.0025773 k( 185) = ( 0.0000000 0.0000000 0.0945946), wk = 0.0025773 k( 186) = ( 0.0000000 0.0000000 0.0810811), wk = 0.0025773 k( 187) = ( 0.0000000 0.0000000 0.0675676), wk = 0.0025773 k( 188) = ( 0.0000000 0.0000000 0.0540540), wk = 0.0025773 k( 189) = ( 0.0000000 0.0000000 0.0405405), wk = 0.0025773 k( 190) = ( 0.0000000 0.0000000 0.0270270), wk = 0.0025773 k( 191) = ( 0.0000000 0.0000000 0.0135135), wk = 0.0025773 k( 192) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 193) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 194) = ( -0.0178571 0.0178571 -0.0000000), wk = 0.0025773 k( 195) = ( -0.0357143 0.0357143 0.0000000), wk = 0.0025773 k( 196) = ( -0.0535714 0.0535714 0.0000000), wk = 0.0025773 k( 197) = ( -0.0714286 0.0714286 0.0000000), wk = 0.0025773 k( 198) = ( -0.0892857 0.0892857 0.0000000), wk = 0.0025773 k( 199) = ( -0.1071429 0.1071429 0.0000000), wk = 0.0025773 k( 200) = ( -0.1250000 0.1250000 0.0000000), wk = 0.0025773 k( 201) = ( -0.1428571 0.1428571 0.0000000), wk = 0.0025773 k( 202) = ( -0.1607143 0.1607143 0.0000000), wk = 0.0025773 k( 203) = ( -0.1785714 0.1785714 0.0000000), wk = 0.0025773 k( 204) = ( -0.1964286 0.1964286 -0.0000000), wk = 0.0025773 k( 205) = ( -0.2142857 0.2142857 -0.0000000), wk = 0.0025773 k( 206) = ( -0.2321429 0.2321429 -0.0000000), wk = 0.0025773 k( 207) = ( -0.2500000 0.2500000 0.0000000), wk = 0.0025773 k( 208) = ( -0.2678571 0.2678571 0.0000000), wk = 0.0025773 k( 209) = ( -0.2857143 0.2857143 0.0000000), wk = 0.0025773 k( 210) = ( -0.3035714 0.3035714 -0.0000000), wk = 0.0025773 k( 211) = ( -0.3214286 0.3214286 0.0000000), wk = 0.0025773 k( 212) = ( -0.3392857 0.3392857 -0.0000000), wk = 0.0025773 k( 213) = ( -0.3571429 0.3571429 0.0000000), wk = 0.0025773 k( 214) = ( -0.3750000 0.3750000 -0.0000000), wk = 0.0025773 k( 215) = ( -0.3928571 0.3928571 -0.0000000), wk = 0.0025773 k( 216) = ( -0.4107143 0.4107143 0.0000000), wk = 0.0025773 k( 217) = ( -0.4285714 0.4285714 0.0000000), wk = 0.0025773 k( 218) = ( -0.4464286 0.4464286 -0.0000000), wk = 0.0025773 k( 219) = ( -0.4642857 0.4642857 -0.0000000), wk = 0.0025773 k( 220) = ( -0.4821429 0.4821429 0.0000000), wk = 0.0025773 k( 221) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0025773 k( 222) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0025773 k( 223) = ( -0.4929370 0.5070630 -0.0000000), wk = 0.0025773 k( 224) = ( -0.4858740 0.5141260 -0.0000000), wk = 0.0025773 k( 225) = ( -0.4788109 0.5211891 -0.0000000), wk = 0.0025773 k( 226) = ( -0.4717479 0.5282521 0.0000000), wk = 0.0025773 k( 227) = ( -0.4646849 0.5353151 0.0000000), wk = 0.0025773 k( 228) = ( -0.4576219 0.5423781 0.0000000), wk = 0.0025773 k( 229) = ( -0.4505589 0.5494411 -0.0000000), wk = 0.0025773 k( 230) = ( -0.4434958 0.5565042 0.0000000), wk = 0.0025773 k( 231) = ( -0.4364328 0.5635672 -0.0000000), wk = 0.0025773 k( 232) = ( -0.4293698 0.5706302 0.0000000), wk = 0.0025773 k( 233) = ( -0.4223068 0.5776932 -0.0000000), wk = 0.0025773 k( 234) = ( -0.4152438 0.5847562 0.0000000), wk = 0.0025773 k( 235) = ( -0.4081807 0.5918193 0.0000000), wk = 0.0025773 k( 236) = ( -0.4011177 0.5988823 0.0000000), wk = 0.0025773 k( 237) = ( -0.3940547 0.6059453 -0.0000000), wk = 0.0025773 k( 238) = ( -0.3869917 0.6130083 0.0000000), wk = 0.0025773 k( 239) = ( -0.3799286 0.6200714 0.0000000), wk = 0.0025773 k( 240) = ( -0.3728656 0.6271344 0.0000000), wk = 0.0025773 k( 241) = ( -0.3658026 0.6341974 0.0000000), wk = 0.0025773 k( 242) = ( -0.3587396 0.6412604 0.0000000), wk = 0.0025773 k( 243) = ( -0.3516766 0.6483234 0.0000000), wk = 0.0025773 k( 244) = ( -0.3446135 0.6553864 0.0000000), wk = 0.0025773 k( 245) = ( -0.3375505 0.6624495 0.0000000), wk = 0.0025773 k( 246) = ( -0.3304875 0.6695125 0.0000000), wk = 0.0025773 k( 247) = ( -0.3234245 0.6765755 -0.0000000), wk = 0.0025773 k( 248) = ( -0.3163615 0.6836385 0.0000000), wk = 0.0025773 k( 249) = ( -0.3092985 0.6907015 0.0000000), wk = 0.0025773 k( 250) = ( -0.3022354 0.6977646 -0.0000000), wk = 0.0025773 k( 251) = ( -0.2951724 0.7048276 0.0000000), wk = 0.0025773 k( 252) = ( -0.2881094 0.7118906 0.0000000), wk = 0.0025773 k( 253) = ( -0.2881094 0.7118906 0.0000000), wk = 0.0025773 k( 254) = ( -0.2881094 0.7118906 0.0135135), wk = 0.0025773 k( 255) = ( -0.2881094 0.7118906 0.0270270), wk = 0.0025773 k( 256) = ( -0.2881094 0.7118906 0.0405405), wk = 0.0025773 k( 257) = ( -0.2881094 0.7118906 0.0540540), wk = 0.0025773 k( 258) = ( -0.2881094 0.7118906 0.0675676), wk = 0.0025773 k( 259) = ( -0.2881094 0.7118906 0.0810811), wk = 0.0025773 k( 260) = ( -0.2881094 0.7118906 0.0945946), wk = 0.0025773 k( 261) = ( -0.2881094 0.7118906 0.1081081), wk = 0.0025773 k( 262) = ( -0.2881094 0.7118906 0.1216216), wk = 0.0025773 k( 263) = ( -0.2881094 0.7118906 0.1351351), wk = 0.0025773 k( 264) = ( -0.2881094 0.7118906 0.1486486), wk = 0.0025773 k( 265) = ( -0.2881094 0.7118906 0.1621622), wk = 0.0025773 k( 266) = ( -0.2881094 0.7118906 0.1756757), wk = 0.0025773 k( 267) = ( -0.2881094 0.7118906 0.1891892), wk = 0.0025773 k( 268) = ( -0.2881094 0.7118906 0.2027027), wk = 0.0025773 k( 269) = ( -0.2881094 0.7118906 0.2162162), wk = 0.0025773 k( 270) = ( -0.2881094 0.7118906 0.2297297), wk = 0.0025773 k( 271) = ( -0.2881094 0.7118906 0.2432432), wk = 0.0025773 k( 272) = ( -0.2881094 0.7118906 0.2567568), wk = 0.0025773 k( 273) = ( -0.2881094 0.7118906 0.2702703), wk = 0.0025773 k( 274) = ( -0.2881094 0.7118906 0.2837838), wk = 0.0025773 k( 275) = ( -0.2881094 0.7118906 0.2972973), wk = 0.0025773 k( 276) = ( -0.2881094 0.7118906 0.3108108), wk = 0.0025773 k( 277) = ( -0.2881094 0.7118906 0.3243243), wk = 0.0025773 k( 278) = ( -0.2881094 0.7118906 0.3378378), wk = 0.0025773 k( 279) = ( -0.2881094 0.7118906 0.3513514), wk = 0.0025773 k( 280) = ( -0.2881094 0.7118906 0.3648649), wk = 0.0025773 k( 281) = ( -0.2881094 0.7118906 0.3783784), wk = 0.0025773 k( 282) = ( -0.2881094 0.7118906 0.3918919), wk = 0.0025773 k( 283) = ( -0.2881094 0.7118906 0.4054054), wk = 0.0025773 k( 284) = ( -0.2881094 0.7118906 0.4189189), wk = 0.0025773 k( 285) = ( -0.2881094 0.7118906 0.4324324), wk = 0.0025773 k( 286) = ( -0.2881094 0.7118906 0.4459459), wk = 0.0025773 k( 287) = ( -0.2881094 0.7118906 0.4594595), wk = 0.0025773 k( 288) = ( -0.2881094 0.7118906 0.4729730), wk = 0.0025773 k( 289) = ( -0.2881094 0.7118906 0.4864865), wk = 0.0025773 k( 290) = ( -0.2881094 0.7118906 0.5000000), wk = 0.0025773 k( 291) = ( -0.2881094 0.7118906 0.5000000), wk = 0.0025773 k( 292) = ( -0.2951724 0.7048276 0.5000000), wk = 0.0025773 k( 293) = ( -0.3022354 0.6977646 0.5000000), wk = 0.0025773 k( 294) = ( -0.3092985 0.6907015 0.5000000), wk = 0.0025773 k( 295) = ( -0.3163615 0.6836385 0.5000000), wk = 0.0025773 k( 296) = ( -0.3234245 0.6765755 0.5000000), wk = 0.0025773 k( 297) = ( -0.3304875 0.6695125 0.5000000), wk = 0.0025773 k( 298) = ( -0.3375505 0.6624495 0.5000000), wk = 0.0025773 k( 299) = ( -0.3446135 0.6553864 0.5000000), wk = 0.0025773 k( 300) = ( -0.3516766 0.6483234 0.5000000), wk = 0.0025773 k( 301) = ( -0.3587396 0.6412604 0.5000000), wk = 0.0025773 k( 302) = ( -0.3658026 0.6341974 0.5000000), wk = 0.0025773 k( 303) = ( -0.3728656 0.6271344 0.5000000), wk = 0.0025773 k( 304) = ( -0.3799286 0.6200714 0.5000000), wk = 0.0025773 k( 305) = ( -0.3869917 0.6130083 0.5000000), wk = 0.0025773 k( 306) = ( -0.3940547 0.6059453 0.5000000), wk = 0.0025773 k( 307) = ( -0.4011177 0.5988823 0.5000000), wk = 0.0025773 k( 308) = ( -0.4081807 0.5918193 0.5000000), wk = 0.0025773 k( 309) = ( -0.4152438 0.5847562 0.5000000), wk = 0.0025773 k( 310) = ( -0.4223068 0.5776932 0.5000000), wk = 0.0025773 k( 311) = ( -0.4293698 0.5706302 0.5000000), wk = 0.0025773 k( 312) = ( -0.4364328 0.5635672 0.5000000), wk = 0.0025773 k( 313) = ( -0.4434958 0.5565042 0.5000000), wk = 0.0025773 k( 314) = ( -0.4505589 0.5494411 0.5000000), wk = 0.0025773 k( 315) = ( -0.4576219 0.5423781 0.5000000), wk = 0.0025773 k( 316) = ( -0.4646849 0.5353151 0.5000000), wk = 0.0025773 k( 317) = ( -0.4717479 0.5282521 0.5000000), wk = 0.0025773 k( 318) = ( -0.4788109 0.5211891 0.5000000), wk = 0.0025773 k( 319) = ( -0.4858740 0.5141260 0.5000000), wk = 0.0025773 k( 320) = ( -0.4929370 0.5070630 0.5000000), wk = 0.0025773 k( 321) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0025773 k( 322) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0025773 k( 323) = ( -0.5000000 0.5000000 0.4864865), wk = 0.0025773 k( 324) = ( -0.5000000 0.5000000 0.4729730), wk = 0.0025773 k( 325) = ( -0.5000000 0.5000000 0.4594595), wk = 0.0025773 k( 326) = ( -0.5000000 0.5000000 0.4459459), wk = 0.0025773 k( 327) = ( -0.5000000 0.5000000 0.4324324), wk = 0.0025773 k( 328) = ( -0.5000000 0.5000000 0.4189189), wk = 0.0025773 k( 329) = ( -0.5000000 0.5000000 0.4054054), wk = 0.0025773 k( 330) = ( -0.5000000 0.5000000 0.3918919), wk = 0.0025773 k( 331) = ( -0.5000000 0.5000000 0.3783784), wk = 0.0025773 k( 332) = ( -0.5000000 0.5000000 0.3648649), wk = 0.0025773 k( 333) = ( -0.5000000 0.5000000 0.3513514), wk = 0.0025773 k( 334) = ( -0.5000000 0.5000000 0.3378378), wk = 0.0025773 k( 335) = ( -0.5000000 0.5000000 0.3243243), wk = 0.0025773 k( 336) = ( -0.5000000 0.5000000 0.3108108), wk = 0.0025773 k( 337) = ( -0.5000000 0.5000000 0.2972973), wk = 0.0025773 k( 338) = ( -0.5000000 0.5000000 0.2837838), wk = 0.0025773 k( 339) = ( -0.5000000 0.5000000 0.2702703), wk = 0.0025773 k( 340) = ( -0.5000000 0.5000000 0.2567568), wk = 0.0025773 k( 341) = ( -0.5000000 0.5000000 0.2432432), wk = 0.0025773 k( 342) = ( -0.5000000 0.5000000 0.2297297), wk = 0.0025773 k( 343) = ( -0.5000000 0.5000000 0.2162162), wk = 0.0025773 k( 344) = ( -0.5000000 0.5000000 0.2027027), wk = 0.0025773 k( 345) = ( -0.5000000 0.5000000 0.1891892), wk = 0.0025773 k( 346) = ( -0.5000000 0.5000000 0.1756757), wk = 0.0025773 k( 347) = ( -0.5000000 0.5000000 0.1621622), wk = 0.0025773 k( 348) = ( -0.5000000 0.5000000 0.1486486), wk = 0.0025773 k( 349) = ( -0.5000000 0.5000000 0.1351351), wk = 0.0025773 k( 350) = ( -0.5000000 0.5000000 0.1216216), wk = 0.0025773 k( 351) = ( -0.5000000 0.5000000 0.1081081), wk = 0.0025773 k( 352) = ( -0.5000000 0.5000000 0.0945946), wk = 0.0025773 k( 353) = ( -0.5000000 0.5000000 0.0810811), wk = 0.0025773 k( 354) = ( -0.5000000 0.5000000 0.0675676), wk = 0.0025773 k( 355) = ( -0.5000000 0.5000000 0.0540540), wk = 0.0025773 k( 356) = ( -0.5000000 0.5000000 0.0405405), wk = 0.0025773 k( 357) = ( -0.5000000 0.5000000 0.0270270), wk = 0.0025773 k( 358) = ( -0.5000000 0.5000000 0.0135135), wk = 0.0025773 k( 359) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0025773 k( 360) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025773 k( 361) = ( -0.0178571 0.0178571 0.5000000), wk = 0.0025773 k( 362) = ( -0.0357143 0.0357143 0.5000000), wk = 0.0025773 k( 363) = ( -0.0535714 0.0535714 0.5000000), wk = 0.0025773 k( 364) = ( -0.0714286 0.0714286 0.5000000), wk = 0.0025773 k( 365) = ( -0.0892857 0.0892857 0.5000000), wk = 0.0025773 k( 366) = ( -0.1071429 0.1071429 0.5000000), wk = 0.0025773 k( 367) = ( -0.1250000 0.1250000 0.5000000), wk = 0.0025773 k( 368) = ( -0.1428571 0.1428571 0.5000000), wk = 0.0025773 k( 369) = ( -0.1607143 0.1607143 0.5000000), wk = 0.0025773 k( 370) = ( -0.1785714 0.1785714 0.5000000), wk = 0.0025773 k( 371) = ( -0.1964286 0.1964286 0.5000000), wk = 0.0025773 k( 372) = ( -0.2142857 0.2142857 0.5000000), wk = 0.0025773 k( 373) = ( -0.2321429 0.2321429 0.5000000), wk = 0.0025773 k( 374) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0025773 k( 375) = ( -0.2678571 0.2678571 0.5000000), wk = 0.0025773 k( 376) = ( -0.2857143 0.2857143 0.5000000), wk = 0.0025773 k( 377) = ( -0.3035714 0.3035714 0.5000000), wk = 0.0025773 k( 378) = ( -0.3214286 0.3214286 0.5000000), wk = 0.0025773 k( 379) = ( -0.3392857 0.3392857 0.5000000), wk = 0.0025773 k( 380) = ( -0.3571429 0.3571429 0.5000000), wk = 0.0025773 k( 381) = ( -0.3750000 0.3750000 0.5000000), wk = 0.0025773 k( 382) = ( -0.3928571 0.3928571 0.5000000), wk = 0.0025773 k( 383) = ( -0.4107143 0.4107143 0.5000000), wk = 0.0025773 k( 384) = ( -0.4285714 0.4285714 0.5000000), wk = 0.0025773 k( 385) = ( -0.4464286 0.4464286 0.5000000), wk = 0.0025773 k( 386) = ( -0.4642857 0.4642857 0.5000000), wk = 0.0025773 k( 387) = ( -0.4821429 0.4821429 0.5000000), wk = 0.0025773 k( 388) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0025773 Dense grid: 46835 G-vectors FFT dimensions: ( 60, 60, 40) Smooth grid: 35643 G-vectors FFT dimensions: ( 54, 54, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.12 Mb ( 192, 40) NL pseudopotentials 0.19 Mb ( 96, 128) Each V/rho on FFT grid 0.05 Mb ( 3600) Each G-vector array 0.01 Mb ( 979) G-vector shells 0.00 Mb ( 485) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.47 Mb ( 192, 160) Each subspace H/S matrix 0.39 Mb ( 160, 160) Each matrix 0.16 Mb ( 128, 2, 40) The potential is recalculated from file : ./LaGa.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 41.3 secs Computing kpt #: 2 total cpu time spent up to now is 42.8 secs Computing kpt #: 3 total cpu time spent up to now is 44.2 secs Computing kpt #: 4 total cpu time spent up to now is 45.7 secs Computing kpt #: 5 total cpu time spent up to now is 47.1 secs Computing kpt #: 6 total cpu time spent up to now is 48.8 secs Computing kpt #: 7 total cpu time spent up to now is 50.2 secs Computing kpt #: 8 total cpu time spent up to now is 51.6 secs Computing kpt #: 9 total cpu time spent up to now is 53.0 secs Computing kpt #: 10 total cpu time spent up to now is 54.4 secs Computing kpt #: 11 total cpu time spent up to now is 55.7 secs Computing kpt #: 12 total cpu time spent up to now is 57.0 secs Computing kpt #: 13 total cpu time spent up to now is 58.4 secs Computing kpt #: 14 total cpu time spent up to now is 59.8 secs Computing kpt #: 15 total cpu time spent up to now is 61.5 secs Computing kpt #: 16 total cpu time spent up to now is 63.0 secs Computing kpt #: 17 total cpu time spent up to now is 64.4 secs Computing kpt #: 18 total cpu time spent up to now is 65.9 secs Computing kpt #: 19 total cpu time spent up to now is 67.5 secs Computing kpt #: 20 total cpu time spent up to now is 69.1 secs Computing kpt #: 21 total cpu time spent up to now is 70.9 secs Computing kpt #: 22 total cpu time spent up to now is 73.6 secs Computing kpt #: 23 total cpu time spent up to now is 76.1 secs Computing kpt #: 24 total cpu time spent up to now is 77.9 secs Computing kpt #: 25 total cpu time spent up to now is 79.6 secs Computing kpt #: 26 total cpu time spent up to now is 81.2 secs Computing kpt #: 27 total cpu time spent up to now is 82.8 secs Computing kpt #: 28 total cpu time spent up to now is 84.3 secs Computing kpt #: 29 total cpu time spent up to now is 85.7 secs Computing kpt #: 30 total cpu time spent up to now is 87.2 secs Computing kpt #: 31 total cpu time spent up to now is 89.6 secs Computing kpt #: 32 total cpu time spent up to now is 91.3 secs Computing kpt #: 33 total cpu time spent up to now is 93.0 secs Computing kpt #: 34 total cpu time spent up to now is 94.8 secs Computing kpt #: 35 total cpu time spent up to now is 96.5 secs Computing kpt #: 36 total cpu time spent up to now is 98.1 secs Computing kpt #: 37 total cpu time spent up to now is 99.9 secs Computing kpt #: 38 total cpu time spent up to now is 101.3 secs Computing kpt #: 39 total cpu time spent up to now is 102.7 secs Computing kpt #: 40 total cpu time spent up to now is 104.3 secs Computing kpt #: 41 total cpu time spent up to now is 105.9 secs Computing kpt #: 42 total cpu time spent up to now is 107.6 secs Computing kpt #: 43 total cpu time spent up to now is 109.3 secs Computing kpt #: 44 total cpu time spent up to now is 111.0 secs Computing kpt #: 45 total cpu time spent up to now is 112.7 secs Computing kpt #: 46 total cpu time spent up to now is 114.4 secs Computing kpt #: 47 total cpu time spent up to now is 116.2 secs Computing kpt #: 48 total cpu time spent up to now is 118.0 secs Computing kpt #: 49 total cpu time spent up to now is 119.7 secs Computing kpt #: 50 total cpu time spent up to now is 121.5 secs Computing kpt #: 51 total cpu time spent up to now is 123.3 secs Computing kpt #: 52 total cpu time spent up to now is 125.1 secs Computing kpt #: 53 total cpu time spent up to now is 127.0 secs Computing kpt #: 54 total cpu time spent up to now is 128.8 secs Computing kpt #: 55 total cpu time spent up to now is 130.5 secs Computing kpt #: 56 total cpu time spent up to now is 132.4 secs Computing kpt #: 57 total cpu time spent up to now is 134.3 secs Computing kpt #: 58 total cpu time spent up to now is 136.2 secs Computing kpt #: 59 total cpu time spent up to now is 138.0 secs Computing kpt #: 60 total cpu time spent up to now is 139.8 secs Computing kpt #: 61 total cpu time spent up to now is 141.6 secs Computing kpt #: 62 total cpu time spent up to now is 143.6 secs Computing kpt #: 63 total cpu time spent up to now is 145.5 secs Computing kpt #: 64 total cpu time spent up to now is 147.3 secs Computing kpt #: 65 total cpu time spent up to now is 149.3 secs Computing kpt #: 66 total cpu time spent up to now is 151.4 secs Computing kpt #: 67 total cpu time spent up to now is 153.4 secs Computing kpt #: 68 total cpu time spent up to now is 155.6 secs Computing kpt #: 69 total cpu time spent up to now is 158.6 secs Computing kpt #: 70 total cpu time spent up to now is 161.2 secs Computing kpt #: 71 total cpu time spent up to now is 163.6 secs Computing kpt #: 72 total cpu time spent up to now is 166.2 secs Computing kpt #: 73 total cpu time spent up to now is 168.6 secs Computing kpt #: 74 total cpu time spent up to now is 171.1 secs Computing kpt #: 75 total cpu time spent up to now is 173.4 secs Computing kpt #: 76 total cpu time spent up to now is 175.9 secs Computing kpt #: 77 total cpu time spent up to now is 178.4 secs Computing kpt #: 78 total cpu time spent up to now is 180.7 secs Computing kpt #: 79 total cpu time spent up to now is 183.1 secs Computing kpt #: 80 total cpu time spent up to now is 186.0 secs Computing kpt #: 81 total cpu time spent up to now is 188.3 secs Computing kpt #: 82 total cpu time spent up to now is 190.9 secs Computing kpt #: 83 total cpu time spent up to now is 193.2 secs Computing kpt #: 84 total cpu time spent up to now is 195.5 secs Computing kpt #: 85 total cpu time spent up to now is 198.0 secs Computing kpt #: 86 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 201.0 secs Computing kpt #: 87 total cpu time spent up to now is 203.6 secs Computing kpt #: 88 total cpu time spent up to now is 205.9 secs Computing kpt #: 89 total cpu time spent up to now is 207.8 secs Computing kpt #: 90 total cpu time spent up to now is 209.6 secs Computing kpt #: 91 total cpu time spent up to now is 211.3 secs Computing kpt #: 92 total cpu time spent up to now is 213.0 secs Computing kpt #: 93 total cpu time spent up to now is 214.6 secs Computing kpt #: 94 total cpu time spent up to now is 216.3 secs Computing kpt #: 95 total cpu time spent up to now is 217.9 secs Computing kpt #: 96 total cpu time spent up to now is 219.4 secs Computing kpt #: 97 total cpu time spent up to now is 221.0 secs Computing kpt #: 98 total cpu time spent up to now is 222.5 secs Computing kpt #: 99 total cpu time spent up to now is 224.1 secs Computing kpt #: 100 total cpu time spent up to now is 225.6 secs Computing kpt #: 101 total cpu time spent up to now is 227.4 secs Computing kpt #: 102 total cpu time spent up to now is 228.9 secs Computing kpt #: 103 total cpu time spent up to now is 230.5 secs Computing kpt #: 104 total cpu time spent up to now is 232.1 secs Computing kpt #: 105 total cpu time spent up to now is 233.6 secs Computing kpt #: 106 total cpu time spent up to now is 235.2 secs Computing kpt #: 107 total cpu time spent up to now is 236.7 secs Computing kpt #: 108 total cpu time spent up to now is 238.1 secs Computing kpt #: 109 total cpu time spent up to now is 239.9 secs Computing kpt #: 110 total cpu time spent up to now is 241.6 secs Computing kpt #: 111 total cpu time spent up to now is 243.1 secs Computing kpt #: 112 total cpu time spent up to now is 244.6 secs Computing kpt #: 113 total cpu time spent up to now is 246.2 secs Computing kpt #: 114 total cpu time spent up to now is 247.7 secs Computing kpt #: 115 total cpu time spent up to now is 249.2 secs Computing kpt #: 116 total cpu time spent up to now is 250.9 secs Computing kpt #: 117 total cpu time spent up to now is 252.5 secs Computing kpt #: 118 total cpu time spent up to now is 254.2 secs Computing kpt #: 119 total cpu time spent up to now is 255.9 secs Computing kpt #: 120 total cpu time spent up to now is 257.7 secs Computing kpt #: 121 total cpu time spent up to now is 259.5 secs Computing kpt #: 122 total cpu time spent up to now is 261.3 secs Computing kpt #: 123 total cpu time spent up to now is 263.2 secs Computing kpt #: 124 total cpu time spent up to now is 265.0 secs Computing kpt #: 125 total cpu time spent up to now is 266.8 secs Computing kpt #: 126 total cpu time spent up to now is 268.5 secs Computing kpt #: 127 total cpu time spent up to now is 270.2 secs Computing kpt #: 128 total cpu time spent up to now is 271.9 secs Computing kpt #: 129 total cpu time spent up to now is 273.4 secs Computing kpt #: 130 total cpu time spent up to now is 274.9 secs Computing kpt #: 131 total cpu time spent up to now is 276.4 secs Computing kpt #: 132 total cpu time spent up to now is 278.2 secs Computing kpt #: 133 total cpu time spent up to now is 280.0 secs Computing kpt #: 134 total cpu time spent up to now is 281.5 secs Computing kpt #: 135 total cpu time spent up to now is 283.1 secs Computing kpt #: 136 total cpu time spent up to now is 284.9 secs Computing kpt #: 137 total cpu time spent up to now is 286.6 secs Computing kpt #: 138 total cpu time spent up to now is 288.4 secs Computing kpt #: 139 total cpu time spent up to now is 290.2 secs Computing kpt #: 140 total cpu time spent up to now is 291.9 secs Computing kpt #: 141 total cpu time spent up to now is 293.8 secs Computing kpt #: 142 total cpu time spent up to now is 295.6 secs Computing kpt #: 143 total cpu time spent up to now is 297.4 secs Computing kpt #: 144 total cpu time spent up to now is 299.3 secs Computing kpt #: 145 total cpu time spent up to now is 301.3 secs Computing kpt #: 146 total cpu time spent up to now is 303.4 secs Computing kpt #: 147 total cpu time spent up to now is 305.2 secs Computing kpt #: 148 total cpu time spent up to now is 307.1 secs Computing kpt #: 149 total cpu time spent up to now is 309.0 secs Computing kpt #: 150 total cpu time spent up to now is 310.9 secs Computing kpt #: 151 total cpu time spent up to now is 313.1 secs Computing kpt #: 152 total cpu time spent up to now is 315.0 secs Computing kpt #: 153 total cpu time spent up to now is 316.9 secs Computing kpt #: 154 total cpu time spent up to now is 319.2 secs Computing kpt #: 155 total cpu time spent up to now is 321.3 secs Computing kpt #: 156 total cpu time spent up to now is 323.2 secs Computing kpt #: 157 total cpu time spent up to now is 325.7 secs Computing kpt #: 158 total cpu time spent up to now is 328.2 secs Computing kpt #: 159 total cpu time spent up to now is 330.7 secs Computing kpt #: 160 total cpu time spent up to now is 333.3 secs Computing kpt #: 161 total cpu time spent up to now is 336.1 secs Computing kpt #: 162 total cpu time spent up to now is 339.1 secs Computing kpt #: 163 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 342.2 secs Computing kpt #: 164 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 345.2 secs Computing kpt #: 165 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 348.5 secs Computing kpt #: 166 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 351.5 secs Computing kpt #: 167 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 355.0 secs Computing kpt #: 168 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 358.0 secs Computing kpt #: 169 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 361.1 secs Computing kpt #: 170 total cpu time spent up to now is 363.9 secs Computing kpt #: 171 total cpu time spent up to now is 366.6 secs Computing kpt #: 172 total cpu time spent up to now is 369.1 secs Computing kpt #: 173 total cpu time spent up to now is 371.5 secs Computing kpt #: 174 total cpu time spent up to now is 373.6 secs Computing kpt #: 175 total cpu time spent up to now is 375.7 secs Computing kpt #: 176 total cpu time spent up to now is 377.5 secs Computing kpt #: 177 total cpu time spent up to now is 379.3 secs Computing kpt #: 178 total cpu time spent up to now is 381.0 secs Computing kpt #: 179 total cpu time spent up to now is 382.6 secs Computing kpt #: 180 total cpu time spent up to now is 384.3 secs Computing kpt #: 181 total cpu time spent up to now is 385.9 secs Computing kpt #: 182 total cpu time spent up to now is 387.9 secs Computing kpt #: 183 total cpu time spent up to now is 389.4 secs Computing kpt #: 184 total cpu time spent up to now is 390.9 secs Computing kpt #: 185 total cpu time spent up to now is 392.4 secs Computing kpt #: 186 total cpu time spent up to now is 394.2 secs Computing kpt #: 187 total cpu time spent up to now is 395.8 secs Computing kpt #: 188 total cpu time spent up to now is 397.2 secs Computing kpt #: 189 total cpu time spent up to now is 398.6 secs Computing kpt #: 190 total cpu time spent up to now is 400.0 secs Computing kpt #: 191 total cpu time spent up to now is 401.5 secs Computing kpt #: 192 total cpu time spent up to now is 402.9 secs Computing kpt #: 193 total cpu time spent up to now is 404.5 secs Computing kpt #: 194 total cpu time spent up to now is 406.1 secs Computing kpt #: 195 total cpu time spent up to now is 407.7 secs Computing kpt #: 196 total cpu time spent up to now is 409.5 secs Computing kpt #: 197 total cpu time spent up to now is 412.0 secs Computing kpt #: 198 total cpu time spent up to now is 413.5 secs Computing kpt #: 199 total cpu time spent up to now is 415.0 secs Computing kpt #: 200 total cpu time spent up to now is 416.5 secs Computing kpt #: 201 total cpu time spent up to now is 418.0 secs Computing kpt #: 202 total cpu time spent up to now is 419.6 secs Computing kpt #: 203 total cpu time spent up to now is 421.3 secs Computing kpt #: 204 total cpu time spent up to now is 423.2 secs Computing kpt #: 205 total cpu time spent up to now is 425.4 secs Computing kpt #: 206 total cpu time spent up to now is 427.2 secs Computing kpt #: 207 total cpu time spent up to now is 429.1 secs Computing kpt #: 208 total cpu time spent up to now is 431.0 secs Computing kpt #: 209 total cpu time spent up to now is 433.2 secs Computing kpt #: 210 total cpu time spent up to now is 435.2 secs Computing kpt #: 211 total cpu time spent up to now is 437.2 secs Computing kpt #: 212 total cpu time spent up to now is 439.3 secs Computing kpt #: 213 total cpu time spent up to now is 441.2 secs Computing kpt #: 214 total cpu time spent up to now is 443.1 secs Computing kpt #: 215 total cpu time spent up to now is 444.8 secs Computing kpt #: 216 total cpu time spent up to now is 446.5 secs Computing kpt #: 217 total cpu time spent up to now is 448.3 secs Computing kpt #: 218 total cpu time spent up to now is 450.8 secs Computing kpt #: 219 total cpu time spent up to now is 453.0 secs Computing kpt #: 220 total cpu time spent up to now is 454.7 secs Computing kpt #: 221 total cpu time spent up to now is 456.6 secs Computing kpt #: 222 total cpu time spent up to now is 458.3 secs Computing kpt #: 223 total cpu time spent up to now is 460.0 secs Computing kpt #: 224 total cpu time spent up to now is 461.8 secs Computing kpt #: 225 total cpu time spent up to now is 463.5 secs Computing kpt #: 226 total cpu time spent up to now is 465.4 secs Computing kpt #: 227 total cpu time spent up to now is 467.4 secs Computing kpt #: 228 total cpu time spent up to now is 470.0 secs Computing kpt #: 229 total cpu time spent up to now is 472.3 secs Computing kpt #: 230 total cpu time spent up to now is 474.2 secs Computing kpt #: 231 total cpu time spent up to now is 476.3 secs Computing kpt #: 232 total cpu time spent up to now is 478.6 secs Computing kpt #: 233 total cpu time spent up to now is 480.8 secs Computing kpt #: 234 total cpu time spent up to now is 482.6 secs Computing kpt #: 235 total cpu time spent up to now is 484.5 secs Computing kpt #: 236 total cpu time spent up to now is 486.3 secs Computing kpt #: 237 total cpu time spent up to now is 488.1 secs Computing kpt #: 238 total cpu time spent up to now is 490.2 secs Computing kpt #: 239 total cpu time spent up to now is 492.2 secs Computing kpt #: 240 total cpu time spent up to now is 494.1 secs Computing kpt #: 241 total cpu time spent up to now is 496.1 secs Computing kpt #: 242 total cpu time spent up to now is 498.1 secs Computing kpt #: 243 total cpu time spent up to now is 500.0 secs Computing kpt #: 244 total cpu time spent up to now is 501.8 secs Computing kpt #: 245 total cpu time spent up to now is 503.7 secs Computing kpt #: 246 total cpu time spent up to now is 505.7 secs Computing kpt #: 247 total cpu time spent up to now is 507.6 secs Computing kpt #: 248 total cpu time spent up to now is 509.8 secs Computing kpt #: 249 total cpu time spent up to now is 511.9 secs Computing kpt #: 250 total cpu time spent up to now is 514.1 secs Computing kpt #: 251 total cpu time spent up to now is 516.0 secs Computing kpt #: 252 total cpu time spent up to now is 517.7 secs Computing kpt #: 253 total cpu time spent up to now is 519.5 secs Computing kpt #: 254 total cpu time spent up to now is 521.2 secs Computing kpt #: 255 total cpu time spent up to now is 523.0 secs Computing kpt #: 256 total cpu time spent up to now is 524.8 secs Computing kpt #: 257 total cpu time spent up to now is 526.8 secs Computing kpt #: 258 total cpu time spent up to now is 528.9 secs Computing kpt #: 259 total cpu time spent up to now is 530.9 secs Computing kpt #: 260 total cpu time spent up to now is 533.5 secs Computing kpt #: 261 total cpu time spent up to now is 535.4 secs Computing kpt #: 262 total cpu time spent up to now is 537.3 secs Computing kpt #: 263 total cpu time spent up to now is 539.1 secs Computing kpt #: 264 total cpu time spent up to now is 541.0 secs Computing kpt #: 265 total cpu time spent up to now is 542.9 secs Computing kpt #: 266 total cpu time spent up to now is 544.8 secs Computing kpt #: 267 total cpu time spent up to now is 547.0 secs Computing kpt #: 268 total cpu time spent up to now is 549.1 secs Computing kpt #: 269 total cpu time spent up to now is 551.3 secs Computing kpt #: 270 total cpu time spent up to now is 553.6 secs Computing kpt #: 271 total cpu time spent up to now is 555.9 secs Computing kpt #: 272 total cpu time spent up to now is 558.4 secs Computing kpt #: 273 total cpu time spent up to now is 561.2 secs Computing kpt #: 274 total cpu time spent up to now is 564.1 secs Computing kpt #: 275 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 567.0 secs Computing kpt #: 276 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 570.1 secs Computing kpt #: 277 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 573.0 secs Computing kpt #: 278 total cpu time spent up to now is 575.2 secs Computing kpt #: 279 total cpu time spent up to now is 577.5 secs Computing kpt #: 280 total cpu time spent up to now is 579.5 secs Computing kpt #: 281 total cpu time spent up to now is 581.3 secs Computing kpt #: 282 total cpu time spent up to now is 583.0 secs Computing kpt #: 283 total cpu time spent up to now is 584.6 secs Computing kpt #: 284 total cpu time spent up to now is 586.2 secs Computing kpt #: 285 total cpu time spent up to now is 587.7 secs Computing kpt #: 286 total cpu time spent up to now is 589.2 secs Computing kpt #: 287 total cpu time spent up to now is 590.6 secs Computing kpt #: 288 total cpu time spent up to now is 592.3 secs Computing kpt #: 289 total cpu time spent up to now is 593.7 secs Computing kpt #: 290 total cpu time spent up to now is 595.0 secs Computing kpt #: 291 total cpu time spent up to now is 596.5 secs Computing kpt #: 292 total cpu time spent up to now is 597.9 secs Computing kpt #: 293 total cpu time spent up to now is 599.3 secs Computing kpt #: 294 total cpu time spent up to now is 600.9 secs Computing kpt #: 295 total cpu time spent up to now is 602.4 secs Computing kpt #: 296 total cpu time spent up to now is 603.7 secs Computing kpt #: 297 total cpu time spent up to now is 605.3 secs Computing kpt #: 298 total cpu time spent up to now is 606.7 secs Computing kpt #: 299 total cpu time spent up to now is 608.1 secs Computing kpt #: 300 total cpu time spent up to now is 609.4 secs Computing kpt #: 301 total cpu time spent up to now is 611.0 secs Computing kpt #: 302 total cpu time spent up to now is 612.4 secs Computing kpt #: 303 total cpu time spent up to now is 613.7 secs Computing kpt #: 304 total cpu time spent up to now is 615.0 secs Computing kpt #: 305 total cpu time spent up to now is 616.6 secs Computing kpt #: 306 total cpu time spent up to now is 618.0 secs Computing kpt #: 307 total cpu time spent up to now is 619.4 secs Computing kpt #: 308 total cpu time spent up to now is 621.1 secs Computing kpt #: 309 total cpu time spent up to now is 622.8 secs Computing kpt #: 310 total cpu time spent up to now is 624.1 secs Computing kpt #: 311 total cpu time spent up to now is 625.3 secs Computing kpt #: 312 total cpu time spent up to now is 626.6 secs Computing kpt #: 313 total cpu time spent up to now is 627.9 secs Computing kpt #: 314 total cpu time spent up to now is 629.4 secs Computing kpt #: 315 total cpu time spent up to now is 630.8 secs Computing kpt #: 316 total cpu time spent up to now is 632.1 secs Computing kpt #: 317 total cpu time spent up to now is 633.4 secs Computing kpt #: 318 total cpu time spent up to now is 634.7 secs Computing kpt #: 319 total cpu time spent up to now is 636.6 secs Computing kpt #: 320 total cpu time spent up to now is 638.0 secs Computing kpt #: 321 total cpu time spent up to now is 639.3 secs Computing kpt #: 322 total cpu time spent up to now is 640.7 secs Computing kpt #: 323 total cpu time spent up to now is 642.4 secs Computing kpt #: 324 total cpu time spent up to now is 643.9 secs Computing kpt #: 325 total cpu time spent up to now is 645.6 secs Computing kpt #: 326 total cpu time spent up to now is 647.6 secs Computing kpt #: 327 total cpu time spent up to now is 649.4 secs Computing kpt #: 328 total cpu time spent up to now is 651.9 secs Computing kpt #: 329 total cpu time spent up to now is 653.7 secs Computing kpt #: 330 total cpu time spent up to now is 655.4 secs Computing kpt #: 331 total cpu time spent up to now is 656.9 secs Computing kpt #: 332 total cpu time spent up to now is 658.5 secs Computing kpt #: 333 total cpu time spent up to now is 659.9 secs Computing kpt #: 334 total cpu time spent up to now is 661.3 secs Computing kpt #: 335 total cpu time spent up to now is 663.3 secs Computing kpt #: 336 total cpu time spent up to now is 664.7 secs Computing kpt #: 337 total cpu time spent up to now is 666.2 secs Computing kpt #: 338 total cpu time spent up to now is 667.8 secs Computing kpt #: 339 total cpu time spent up to now is 669.3 secs Computing kpt #: 340 total cpu time spent up to now is 671.2 secs Computing kpt #: 341 total cpu time spent up to now is 673.2 secs Computing kpt #: 342 total cpu time spent up to now is 675.4 secs Computing kpt #: 343 total cpu time spent up to now is 677.2 secs Computing kpt #: 344 total cpu time spent up to now is 679.0 secs Computing kpt #: 345 total cpu time spent up to now is 681.0 secs Computing kpt #: 346 total cpu time spent up to now is 683.5 secs Computing kpt #: 347 total cpu time spent up to now is 685.4 secs Computing kpt #: 348 total cpu time spent up to now is 687.2 secs Computing kpt #: 349 total cpu time spent up to now is 688.8 secs Computing kpt #: 350 total cpu time spent up to now is 690.6 secs Computing kpt #: 351 total cpu time spent up to now is 692.5 secs Computing kpt #: 352 total cpu time spent up to now is 694.6 secs Computing kpt #: 353 total cpu time spent up to now is 696.2 secs Computing kpt #: 354 total cpu time spent up to now is 697.8 secs Computing kpt #: 355 total cpu time spent up to now is 699.4 secs Computing kpt #: 356 total cpu time spent up to now is 701.1 secs Computing kpt #: 357 total cpu time spent up to now is 702.8 secs Computing kpt #: 358 total cpu time spent up to now is 704.6 secs Computing kpt #: 359 total cpu time spent up to now is 706.2 secs Computing kpt #: 360 total cpu time spent up to now is 708.2 secs Computing kpt #: 361 total cpu time spent up to now is 710.4 secs Computing kpt #: 362 total cpu time spent up to now is 712.5 secs Computing kpt #: 363 total cpu time spent up to now is 715.0 secs Computing kpt #: 364 total cpu time spent up to now is 717.3 secs Computing kpt #: 365 total cpu time spent up to now is 719.3 secs Computing kpt #: 366 total cpu time spent up to now is 721.1 secs Computing kpt #: 367 total cpu time spent up to now is 723.0 secs Computing kpt #: 368 total cpu time spent up to now is 724.6 secs Computing kpt #: 369 total cpu time spent up to now is 726.0 secs Computing kpt #: 370 total cpu time spent up to now is 727.4 secs Computing kpt #: 371 total cpu time spent up to now is 728.9 secs Computing kpt #: 372 total cpu time spent up to now is 730.7 secs Computing kpt #: 373 total cpu time spent up to now is 732.3 secs Computing kpt #: 374 total cpu time spent up to now is 733.6 secs Computing kpt #: 375 total cpu time spent up to now is 735.0 secs Computing kpt #: 376 total cpu time spent up to now is 736.3 secs Computing kpt #: 377 total cpu time spent up to now is 737.6 secs Computing kpt #: 378 total cpu time spent up to now is 739.1 secs Computing kpt #: 379 total cpu time spent up to now is 740.9 secs Computing kpt #: 380 total cpu time spent up to now is 742.9 secs Computing kpt #: 381 total cpu time spent up to now is 744.4 secs Computing kpt #: 382 total cpu time spent up to now is 745.8 secs Computing kpt #: 383 total cpu time spent up to now is 747.1 secs Computing kpt #: 384 total cpu time spent up to now is 748.6 secs Computing kpt #: 385 total cpu time spent up to now is 750.1 secs Computing kpt #: 386 total cpu time spent up to now is 751.6 secs Computing kpt #: 387 total cpu time spent up to now is 753.0 secs Computing kpt #: 388 total cpu time spent up to now is 754.4 secs ethr = 3.13E-11, avg # of iterations = 47.5 total cpu time spent up to now is 754.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4435 PWs) bands (ev): -7.9818 -7.9818 -7.9282 -7.9282 -7.9119 -7.9119 -7.9112 -7.9112 -7.5172 -7.5172 -7.5102 -7.5102 -7.4485 -7.4485 -7.4083 -7.4083 -7.3722 -7.3722 -7.3563 -7.3563 -1.4947 -1.4947 2.1100 2.1100 5.4729 5.4729 5.6454 5.6454 5.8980 5.8980 6.4702 6.4702 7.3726 7.3726 7.8738 7.8738 8.3114 8.3114 8.9488 8.9488 k = 0.0070 0.0180-0.0000 ( 4439 PWs) bands (ev): -7.9818 -7.9818 -7.9282 -7.9282 -7.9120 -7.9120 -7.9111 -7.9111 -7.5172 -7.5172 -7.5102 -7.5102 -7.4484 -7.4484 -7.4083 -7.4083 -7.3723 -7.3723 -7.3564 -7.3564 -1.4935 -1.4935 2.1116 2.1116 5.4446 5.4446 5.6467 5.6467 5.9258 5.9258 6.4702 6.4702 7.3750 7.3750 7.8701 7.8701 8.2997 8.2997 8.9408 8.9408 k = 0.0141 0.0360-0.0000 ( 4435 PWs) bands (ev): -7.9818 -7.9818 -7.9282 -7.9282 -7.9120 -7.9120 -7.9111 -7.9111 -7.5171 -7.5171 -7.5102 -7.5102 -7.4484 -7.4484 -7.4082 -7.4082 -7.3722 -7.3722 -7.3563 -7.3563 -1.4898 -1.4898 2.1164 2.1164 5.3750 5.3750 5.6504 5.6504 5.9941 5.9941 6.4701 6.4701 7.3820 7.3820 7.8590 7.8590 8.2665 8.2665 8.9177 8.9177 k = 0.0211 0.0540-0.0000 ( 4435 PWs) bands (ev): -7.9818 -7.9818 -7.9281 -7.9281 -7.9120 -7.9120 -7.9109 -7.9109 -7.5171 -7.5171 -7.5102 -7.5102 -7.4483 -7.4483 -7.4081 -7.4081 -7.3722 -7.3722 -7.3564 -7.3564 -1.4837 -1.4837 2.1244 2.1244 5.2859 5.2859 5.6560 5.6560 6.0811 6.0811 6.4699 6.4699 7.3939 7.3939 7.8410 7.8410 8.2158 8.2158 8.8811 8.8811 k = 0.0281 0.0720-0.0000 ( 4447 PWs) bands (ev): -7.9818 -7.9818 -7.9281 -7.9281 -7.9121 -7.9121 -7.9108 -7.9108 -7.5171 -7.5171 -7.5103 -7.5103 -7.4483 -7.4483 -7.4080 -7.4080 -7.3723 -7.3723 -7.3564 -7.3564 -1.4752 -1.4752 2.1356 2.1356 5.1883 5.1883 5.6634 5.6634 6.1753 6.1753 6.4693 6.4693 7.4108 7.4108 7.8168 7.8168 8.1528 8.1528 8.8333 8.8333 k = 0.0351 0.0900-0.0000 ( 4449 PWs) bands (ev): -7.9818 -7.9818 -7.9280 -7.9280 -7.9122 -7.9122 -7.9107 -7.9107 -7.5171 -7.5171 -7.5103 -7.5103 -7.4482 -7.4482 -7.4079 -7.4079 -7.3723 -7.3723 -7.3564 -7.3564 -1.4644 -1.4644 2.1499 2.1499 5.0874 5.0874 5.6725 5.6725 6.2709 6.2709 6.4684 6.4684 7.4332 7.4332 7.7871 7.7871 8.0823 8.0823 8.7767 8.7767 k = 0.0422 0.1080-0.0000 ( 4443 PWs) bands (ev): -7.9818 -7.9818 -7.9279 -7.9279 -7.9122 -7.9122 -7.9105 -7.9105 -7.5170 -7.5170 -7.5104 -7.5104 -7.4481 -7.4481 -7.4077 -7.4077 -7.3723 -7.3723 -7.3565 -7.3565 -1.4512 -1.4512 2.1674 2.1674 4.9854 4.9854 5.6828 5.6828 6.3637 6.3637 6.4677 6.4677 7.4615 7.4615 7.7532 7.7532 8.0084 8.0084 8.7136 8.7136 k = 0.0492 0.1260-0.0000 ( 4451 PWs) bands (ev): -7.9818 -7.9818 -7.9278 -7.9278 -7.9122 -7.9122 -7.9103 -7.9103 -7.5170 -7.5170 -7.5104 -7.5104 -7.4479 -7.4479 -7.4075 -7.4075 -7.3723 -7.3723 -7.3565 -7.3565 -1.4358 -1.4358 2.1879 2.1879 4.8839 4.8839 5.6939 5.6939 6.4382 6.4382 6.4801 6.4801 7.4960 7.4960 7.7162 7.7162 7.9342 7.9342 8.6460 8.6460 k = 0.0562 0.1440-0.0000 ( 4449 PWs) bands (ev): -7.9817 -7.9817 -7.9277 -7.9277 -7.9122 -7.9122 -7.9101 -7.9101 -7.5169 -7.5169 -7.5104 -7.5104 -7.4477 -7.4477 -7.4073 -7.4073 -7.3723 -7.3723 -7.3566 -7.3566 -1.4183 -1.4183 2.2115 2.2115 4.7836 4.7836 5.7052 5.7052 6.4476 6.4476 6.5503 6.5503 7.5370 7.5370 7.6773 7.6773 7.8626 7.8626 8.5754 8.5754 k = 0.0632 0.1620-0.0000 ( 4453 PWs) bands (ev): -7.9817 -7.9817 -7.9276 -7.9276 -7.9122 -7.9122 -7.9099 -7.9099 -7.5169 -7.5169 -7.5105 -7.5105 -7.4475 -7.4475 -7.4070 -7.4070 -7.3723 -7.3723 -7.3566 -7.3566 -1.3988 -1.3988 2.2380 2.2380 4.6851 4.6851 5.7162 5.7162 6.4402 6.4402 6.6280 6.6280 7.5842 7.5842 7.6384 7.6384 7.7963 7.7963 8.5033 8.5033 k = 0.0703 0.1800-0.0000 ( 4457 PWs) bands (ev): -7.9817 -7.9817 -7.9275 -7.9275 -7.9122 -7.9122 -7.9097 -7.9097 -7.5168 -7.5168 -7.5105 -7.5105 -7.4474 -7.4474 -7.4067 -7.4067 -7.3724 -7.3724 -7.3567 -7.3567 -1.3774 -1.3774 2.2675 2.2675 4.5888 4.5888 5.7259 5.7259 6.4277 6.4277 6.6994 6.6994 7.5979 7.5979 7.6373 7.6373 7.7401 7.7401 8.4306 8.4306 k = 0.0773 0.1980-0.0000 ( 4449 PWs) bands (ev): -7.9817 -7.9817 -7.9272 -7.9272 -7.9121 -7.9121 -7.9094 -7.9094 -7.5166 -7.5166 -7.5106 -7.5106 -7.4471 -7.4471 -7.4063 -7.4063 -7.3724 -7.3724 -7.3567 -7.3567 -1.3541 -1.3541 2.2998 2.2998 4.4953 4.4953 5.7336 5.7336 6.4107 6.4107 6.7629 6.7629 7.5628 7.5628 7.6562 7.6562 7.7300 7.7300 8.3584 8.3584 k = 0.0843 0.2160-0.0000 ( 4457 PWs) bands (ev): -7.9817 -7.9817 -7.9271 -7.9271 -7.9121 -7.9121 -7.9092 -7.9092 -7.5166 -7.5166 -7.5106 -7.5106 -7.4469 -7.4469 -7.4061 -7.4061 -7.3724 -7.3724 -7.3568 -7.3568 -1.3293 -1.3293 2.3349 2.3349 4.4047 4.4047 5.7383 5.7383 6.3887 6.3887 6.8180 6.8180 7.5311 7.5311 7.6214 7.6214 7.7894 7.7894 8.2876 8.2876 k = 0.0914 0.2340-0.0000 ( 4449 PWs) bands (ev): -7.9816 -7.9816 -7.9269 -7.9269 -7.9119 -7.9119 -7.9090 -7.9090 -7.5164 -7.5164 -7.5106 -7.5106 -7.4466 -7.4466 -7.4057 -7.4057 -7.3724 -7.3724 -7.3568 -7.3568 -1.3029 -1.3029 2.3726 2.3726 4.3174 4.3174 5.7389 5.7389 6.3615 6.3615 6.8646 6.8646 7.5048 7.5048 7.5862 7.5862 7.8634 7.8634 8.2196 8.2196 k = 0.0984 0.2520-0.0000 ( 4441 PWs) bands (ev): -7.9816 -7.9816 -7.9267 -7.9267 -7.9118 -7.9118 -7.9087 -7.9087 -7.5163 -7.5163 -7.5107 -7.5107 -7.4463 -7.4463 -7.4054 -7.4054 -7.3724 -7.3724 -7.3568 -7.3568 -1.2752 -1.2752 2.4129 2.4129 4.2337 4.2337 5.7347 5.7347 6.3289 6.3289 6.9031 6.9031 7.4853 7.4853 7.5589 7.5589 7.9402 7.9402 8.1577 8.1577 k = 0.1054 0.2700-0.0000 ( 4443 PWs) bands (ev): -7.9816 -7.9816 -7.9265 -7.9265 -7.9116 -7.9116 -7.9085 -7.9085 -7.5162 -7.5162 -7.5107 -7.5107 -7.4461 -7.4461 -7.4050 -7.4050 -7.3724 -7.3724 -7.3569 -7.3569 -1.2464 -1.2464 2.4557 2.4557 4.1537 4.1537 5.7248 5.7248 6.2913 6.2913 6.9337 6.9337 7.4735 7.4735 7.5407 7.5407 7.9996 7.9996 8.1205 8.1205 k = 0.1124 0.2880-0.0000 ( 4443 PWs) bands (ev): -7.9815 -7.9815 -7.9263 -7.9263 -7.9115 -7.9115 -7.9083 -7.9083 -7.5160 -7.5160 -7.5108 -7.5108 -7.4458 -7.4458 -7.4047 -7.4047 -7.3724 -7.3724 -7.3570 -7.3570 -1.2167 -1.2167 2.5008 2.5008 4.0777 4.0777 5.7085 5.7085 6.2492 6.2492 6.9570 6.9570 7.4699 7.4699 7.5317 7.5317 7.9862 7.9862 8.1623 8.1623 k = 0.1195 0.3060-0.0000 ( 4443 PWs) bands (ev): -7.9815 -7.9815 -7.9262 -7.9262 -7.9113 -7.9113 -7.9081 -7.9081 -7.5159 -7.5159 -7.5108 -7.5108 -7.4455 -7.4455 -7.4043 -7.4043 -7.3724 -7.3724 -7.3571 -7.3571 -1.1862 -1.1862 2.5481 2.5481 4.0061 4.0061 5.6856 5.6856 6.2032 6.2032 6.9732 6.9732 7.4745 7.4745 7.5319 7.5319 7.9356 7.9356 8.2465 8.2465 k = 0.1265 0.3240-0.0000 ( 4447 PWs) bands (ev): -7.9814 -7.9814 -7.9260 -7.9260 -7.9112 -7.9112 -7.9079 -7.9079 -7.5158 -7.5158 -7.5109 -7.5109 -7.4452 -7.4452 -7.4040 -7.4040 -7.3724 -7.3724 -7.3572 -7.3572 -1.1552 -1.1552 2.5974 2.5974 3.9389 3.9389 5.6560 5.6560 6.1543 6.1543 6.9828 6.9828 7.4869 7.4869 7.5410 7.5410 7.8810 7.8810 8.3391 8.3391 k = 0.1335 0.3420-0.0000 ( 4451 PWs) bands (ev): -7.9814 -7.9814 -7.9258 -7.9258 -7.9110 -7.9110 -7.9077 -7.9077 -7.5157 -7.5157 -7.5110 -7.5110 -7.4450 -7.4450 -7.4036 -7.4036 -7.3725 -7.3725 -7.3573 -7.3573 -1.1239 -1.1239 2.6485 2.6485 3.8764 3.8764 5.6199 5.6199 6.1033 6.1033 6.9860 6.9860 7.5064 7.5064 7.5582 7.5582 7.8280 7.8280 8.4341 8.4341 k = 0.1405 0.3600-0.0000 ( 4463 PWs) bands (ev): -7.9814 -7.9814 -7.9257 -7.9257 -7.9109 -7.9109 -7.9075 -7.9075 -7.5156 -7.5156 -7.5111 -7.5111 -7.4447 -7.4447 -7.4033 -7.4033 -7.3725 -7.3725 -7.3574 -7.3574 -1.0926 -1.0926 2.7012 2.7012 3.8188 3.8188 5.5780 5.5780 6.0510 6.0510 6.9829 6.9829 7.5318 7.5318 7.5826 7.5826 7.7786 7.7786 8.5291 8.5291 k = 0.1476 0.3780-0.0000 ( 4461 PWs) bands (ev): -7.9814 -7.9814 -7.9256 -7.9256 -7.9107 -7.9107 -7.9073 -7.9073 -7.5155 -7.5155 -7.5111 -7.5111 -7.4444 -7.4444 -7.4029 -7.4029 -7.3725 -7.3725 -7.3575 -7.3575 -1.0614 -1.0614 2.7553 2.7553 3.7663 3.7663 5.5310 5.5310 5.9981 5.9981 6.9738 6.9738 7.5622 7.5622 7.6111 7.6111 7.7359 7.7359 8.6211 8.6211 k = 0.1546 0.3960-0.0000 ( 4457 PWs) bands (ev): -7.9814 -7.9814 -7.9254 -7.9254 -7.9105 -7.9105 -7.9072 -7.9072 -7.5154 -7.5154 -7.5111 -7.5111 -7.4441 -7.4441 -7.4025 -7.4025 -7.3725 -7.3725 -7.3576 -7.3576 -1.0308 -1.0308 2.8104 2.8104 3.7192 3.7192 5.4798 5.4798 5.9455 5.9455 6.9589 6.9589 7.5960 7.5960 7.6313 7.6313 7.7120 7.7120 8.6665 8.6665 k = 0.1616 0.4140-0.0000 ( 4453 PWs) bands (ev): -7.9813 -7.9813 -7.9252 -7.9252 -7.9103 -7.9103 -7.9070 -7.9070 -7.5153 -7.5153 -7.5112 -7.5112 -7.4438 -7.4438 -7.4022 -7.4022 -7.3725 -7.3725 -7.3577 -7.3577 -1.0007 -1.0007 2.8661 2.8661 3.6775 3.6775 5.4253 5.4253 5.8937 5.8937 6.9384 6.9384 7.6122 7.6122 7.6392 7.6392 7.7302 7.7302 8.6155 8.6155 k = 0.1686 0.4320-0.0000 ( 4457 PWs) bands (ev): -7.9812 -7.9812 -7.9251 -7.9251 -7.9101 -7.9101 -7.9069 -7.9069 -7.5152 -7.5152 -7.5112 -7.5112 -7.4436 -7.4436 -7.4019 -7.4019 -7.3725 -7.3725 -7.3578 -7.3578 -0.9717 -0.9717 2.9221 2.9221 3.6416 3.6416 5.3687 5.3687 5.8431 5.8431 6.9127 6.9127 7.5832 7.5832 7.6787 7.6787 7.7722 7.7722 8.5575 8.5575 k = 0.1757 0.4500-0.0000 ( 4453 PWs) bands (ev): -7.9812 -7.9812 -7.9249 -7.9249 -7.9099 -7.9099 -7.9068 -7.9068 -7.5151 -7.5151 -7.5112 -7.5112 -7.4433 -7.4433 -7.4016 -7.4016 -7.3725 -7.3725 -7.3578 -7.3578 -0.9438 -0.9438 2.9778 2.9778 3.6114 3.6114 5.3112 5.3112 5.7942 5.7942 6.8820 6.8820 7.5513 7.5513 7.7229 7.7229 7.8207 7.8207 8.4993 8.4993 k = 0.1827 0.4680-0.0000 ( 4457 PWs) bands (ev): -7.9812 -7.9812 -7.9248 -7.9248 -7.9097 -7.9097 -7.9067 -7.9067 -7.5151 -7.5151 -7.5113 -7.5113 -7.4431 -7.4431 -7.4013 -7.4013 -7.3725 -7.3725 -7.3579 -7.3579 -0.9172 -0.9172 3.0325 3.0325 3.5873 3.5873 5.2538 5.2538 5.7473 5.7473 6.8467 6.8467 7.5213 7.5213 7.7697 7.7697 7.8708 7.8708 8.4415 8.4415 k = 0.1897 0.4859-0.0000 ( 4463 PWs) bands (ev): -7.9811 -7.9811 -7.9246 -7.9246 -7.9096 -7.9096 -7.9067 -7.9067 -7.5150 -7.5150 -7.5114 -7.5114 -7.4429 -7.4429 -7.4011 -7.4011 -7.3726 -7.3726 -7.3580 -7.3580 -0.8924 -0.8924 3.0856 3.0856 3.5693 3.5693 5.1979 5.1979 5.7027 5.7027 6.8074 6.8074 7.4945 7.4945 7.8182 7.8182 7.9203 7.9203 8.3841 8.3841 k = 0.1968 0.5039-0.0000 ( 4465 PWs) bands (ev): -7.9811 -7.9811 -7.9245 -7.9245 -7.9095 -7.9095 -7.9066 -7.9066 -7.5149 -7.5149 -7.5114 -7.5114 -7.4427 -7.4427 -7.4009 -7.4009 -7.3726 -7.3726 -7.3581 -7.3581 -0.8693 -0.8693 3.1360 3.1360 3.5575 3.5575 5.1448 5.1448 5.6608 5.6608 6.7645 6.7645 7.4711 7.4711 7.8673 7.8673 7.9680 7.9680 8.3275 8.3275 k = 0.2038 0.5219-0.0000 ( 4480 PWs) bands (ev): -7.9811 -7.9811 -7.9244 -7.9244 -7.9094 -7.9094 -7.9066 -7.9066 -7.5149 -7.5149 -7.5115 -7.5115 -7.4427 -7.4427 -7.4007 -7.4007 -7.3727 -7.3727 -7.3582 -7.3582 -0.8482 -0.8482 3.1827 3.1827 3.5520 3.5520 5.0959 5.0959 5.6215 5.6215 6.7184 6.7184 7.4514 7.4514 7.9152 7.9152 8.0135 8.0135 8.2722 8.2722 k = 0.2108 0.5399-0.0000 ( 4480 PWs) bands (ev): -7.9811 -7.9811 -7.9243 -7.9243 -7.9093 -7.9093 -7.9066 -7.9066 -7.5148 -7.5148 -7.5116 -7.5116 -7.4425 -7.4425 -7.4005 -7.4005 -7.3727 -7.3727 -7.3582 -7.3582 -0.8292 -0.8292 3.2245 3.2245 3.5529 3.5529 5.0530 5.0530 5.5852 5.5852 6.6697 6.6697 7.4354 7.4354 7.9581 7.9581 8.0572 8.0572 8.2204 8.2204 k = 0.2178 0.5579-0.0000 ( 4482 PWs) bands (ev): -7.9811 -7.9811 -7.9242 -7.9242 -7.9092 -7.9092 -7.9066 -7.9066 -7.5148 -7.5148 -7.5116 -7.5116 -7.4424 -7.4424 -7.4004 -7.4004 -7.3727 -7.3727 -7.3583 -7.3583 -0.8125 -0.8125 3.2600 3.2600 3.5601 3.5601 5.0175 5.0175 5.5519 5.5519 6.6190 6.6190 7.4232 7.4232 7.9890 7.9890 8.0978 8.0978 8.1802 8.1802 k = 0.2249 0.5759-0.0000 ( 4478 PWs) bands (ev): -7.9810 -7.9810 -7.9240 -7.9240 -7.9091 -7.9091 -7.9066 -7.9066 -7.5147 -7.5147 -7.5116 -7.5116 -7.4424 -7.4424 -7.4003 -7.4003 -7.3727 -7.3727 -7.3582 -7.3582 -0.7981 -0.7981 3.2878 3.2878 3.5736 3.5736 4.9911 4.9911 5.5218 5.5218 6.5667 6.5667 7.4149 7.4149 7.9943 7.9943 8.1176 8.1176 8.1825 8.1825 k = 0.2319 0.5939-0.0000 ( 4462 PWs) bands (ev): -7.9810 -7.9810 -7.9239 -7.9239 -7.9090 -7.9090 -7.9066 -7.9066 -7.5146 -7.5146 -7.5116 -7.5116 -7.4422 -7.4422 -7.4001 -7.4001 -7.3727 -7.3727 -7.3582 -7.3582 -0.7862 -0.7862 3.3068 3.3068 3.5933 3.5933 4.9754 4.9754 5.4949 5.4949 6.5132 6.5132 7.4104 7.4104 7.9654 7.9654 8.1241 8.1241 8.2290 8.2290 k = 0.2389 0.6119-0.0000 ( 4462 PWs) bands (ev): -7.9810 -7.9810 -7.9238 -7.9238 -7.9089 -7.9089 -7.9066 -7.9066 -7.5146 -7.5146 -7.5116 -7.5116 -7.4422 -7.4422 -7.4001 -7.4001 -7.3727 -7.3727 -7.3583 -7.3583 -0.7767 -0.7767 3.3159 3.3159 3.6190 3.6190 4.9715 4.9715 5.4713 5.4713 6.4591 6.4591 7.4099 7.4099 7.9155 7.9155 8.1374 8.1374 8.2867 8.2867 k = 0.2459 0.6299-0.0000 ( 4466 PWs) bands (ev): -7.9810 -7.9810 -7.9238 -7.9238 -7.9089 -7.9089 -7.9067 -7.9067 -7.5146 -7.5146 -7.5117 -7.5117 -7.4422 -7.4422 -7.4001 -7.4001 -7.3728 -7.3728 -7.3582 -7.3582 -0.7696 -0.7696 3.3146 3.3146 3.6506 3.6506 4.9803 4.9803 5.4510 5.4510 6.4047 6.4047 7.4132 7.4132 7.8568 7.8568 8.1530 8.1530 8.3486 8.3486 k = 0.2530 0.6479-0.0000 ( 4462 PWs) bands (ev): -7.9809 -7.9809 -7.9237 -7.9237 -7.9089 -7.9089 -7.9068 -7.9068 -7.5145 -7.5145 -7.5117 -7.5117 -7.4422 -7.4422 -7.4001 -7.4001 -7.3728 -7.3728 -7.3582 -7.3582 -0.7650 -0.7650 3.3028 3.3028 3.6877 3.6877 5.0019 5.0019 5.4341 5.4341 6.3504 6.3504 7.4203 7.4203 7.7940 7.7940 8.1686 8.1686 8.4126 8.4126 k = 0.2600 0.6659-0.0000 ( 4454 PWs) bands (ev): -7.9809 -7.9809 -7.9236 -7.9236 -7.9089 -7.9089 -7.9068 -7.9068 -7.5145 -7.5145 -7.5117 -7.5117 -7.4423 -7.4423 -7.4001 -7.4001 -7.3728 -7.3728 -7.3581 -7.3581 -0.7627 -0.7627 3.2810 3.2810 3.7303 3.7303 5.0360 5.0360 5.4206 5.4206 6.2966 6.2966 7.4312 7.4312 7.7288 7.7288 8.1839 8.1839 8.4779 8.4779 k = 0.2670 0.6839-0.0000 ( 4446 PWs) bands (ev): -7.9809 -7.9809 -7.9235 -7.9235 -7.9089 -7.9089 -7.9069 -7.9069 -7.5145 -7.5145 -7.5117 -7.5117 -7.4423 -7.4423 -7.4001 -7.4001 -7.3729 -7.3729 -7.3581 -7.3581 -0.7627 -0.7627 3.2501 3.2501 3.7780 3.7780 5.0818 5.0818 5.4105 5.4105 6.2436 6.2436 7.4457 7.4457 7.6621 7.6621 8.1986 8.1986 8.5437 8.5437 k = 0.2741 0.7019-0.0000 ( 4444 PWs) bands (ev): -7.9809 -7.9809 -7.9235 -7.9235 -7.9090 -7.9090 -7.9070 -7.9070 -7.5145 -7.5145 -7.5117 -7.5117 -7.4424 -7.4424 -7.4002 -7.4002 -7.3729 -7.3729 -7.3581 -7.3581 -0.7648 -0.7648 3.2111 3.2111 3.8306 3.8306 5.1381 5.1381 5.4038 5.4038 6.1916 6.1916 7.4634 7.4634 7.5948 7.5948 8.2126 8.2126 8.6093 8.6093 k = 0.2811 0.7199-0.0000 ( 4448 PWs) bands (ev): -7.9809 -7.9809 -7.9235 -7.9235 -7.9091 -7.9091 -7.9072 -7.9072 -7.5145 -7.5145 -7.5117 -7.5117 -7.4426 -7.4426 -7.4003 -7.4003 -7.3730 -7.3730 -7.3581 -7.3581 -0.7690 -0.7690 3.1653 3.1653 3.8878 3.8878 5.2038 5.2038 5.4005 5.4005 6.1409 6.1409 7.4805 7.4805 7.5310 7.5310 8.2255 8.2255 8.6741 8.6741 k = 0.2881 0.7379-0.0000 ( 4448 PWs) bands (ev): -7.9809 -7.9809 -7.9235 -7.9235 -7.9091 -7.9091 -7.9074 -7.9074 -7.5146 -7.5146 -7.5117 -7.5117 -7.4427 -7.4427 -7.4005 -7.4005 -7.3731 -7.3731 -7.3580 -7.3580 -0.7751 -0.7751 3.1141 3.1141 3.9493 3.9493 5.2774 5.2774 5.4007 5.4007 6.0917 6.0917 7.4478 7.4478 7.5201 7.5201 8.2364 8.2364 8.7370 8.7370 k = 0.2881 0.7379-0.0000 ( 4448 PWs) bands (ev): -7.9809 -7.9809 -7.9235 -7.9235 -7.9091 -7.9091 -7.9074 -7.9074 -7.5146 -7.5146 -7.5117 -7.5117 -7.4427 -7.4427 -7.4005 -7.4005 -7.3731 -7.3731 -7.3580 -7.3580 -0.7751 -0.7751 3.1141 3.1141 3.9493 3.9493 5.2774 5.2774 5.4007 5.4007 6.0917 6.0917 7.4478 7.4478 7.5201 7.5201 8.2364 8.2364 8.7370 8.7370 k = 0.2689 0.7379-0.0000 ( 4444 PWs) bands (ev): -7.9809 -7.9809 -7.9235 -7.9235 -7.9091 -7.9091 -7.9073 -7.9073 -7.5145 -7.5145 -7.5117 -7.5117 -7.4427 -7.4427 -7.4004 -7.4004 -7.3731 -7.3731 -7.3580 -7.3580 -0.7728 -0.7728 3.1307 3.1307 3.9309 3.9309 5.2486 5.2486 5.4009 5.4009 6.1058 6.1058 7.4675 7.4675 7.5112 7.5112 8.2402 8.2402 8.7206 8.7206 k = 0.2497 0.7379-0.0000 ( 4446 PWs) bands (ev): -7.9809 -7.9809 -7.9235 -7.9235 -7.9091 -7.9091 -7.9073 -7.9073 -7.5145 -7.5145 -7.5117 -7.5117 -7.4426 -7.4426 -7.4004 -7.4004 -7.3730 -7.3730 -7.3580 -7.3580 -0.7710 -0.7710 3.1413 3.1413 3.9223 3.9223 5.2183 5.2183 5.4028 5.4028 6.1127 6.1127 7.4698 7.4698 7.5109 7.5109 8.2582 8.2582 8.7158 8.7158 k = 0.2305 0.7379-0.0000 ( 4443 PWs) bands (ev): -7.9809 -7.9809 -7.9235 -7.9235 -7.9090 -7.9090 -7.9072 -7.9072 -7.5145 -7.5145 -7.5117 -7.5117 -7.4426 -7.4426 -7.4003 -7.4003 -7.3730 -7.3730 -7.3580 -7.3580 -0.7694 -0.7694 3.1457 3.1457 3.9237 3.9237 5.1868 5.1868 5.4062 5.4062 6.1127 6.1127 7.4492 7.4492 7.5245 7.5245 8.2892 8.2892 8.7221 8.7221 k = 0.2113 0.7379-0.0000 ( 4445 PWs) bands (ev): -7.9809 -7.9809 -7.9235 -7.9235 -7.9090 -7.9090 -7.9072 -7.9072 -7.5145 -7.5145 -7.5117 -7.5117 -7.4425 -7.4425 -7.4002 -7.4002 -7.3730 -7.3730 -7.3580 -7.3580 -0.7683 -0.7683 3.1443 3.1443 3.9346 3.9346 5.1546 5.1546 5.4109 5.4109 6.1063 6.1063 7.4191 7.4191 7.5398 7.5398 8.3312 8.3312 8.7386 8.7386 k = 0.1921 0.7379-0.0000 ( 4438 PWs) bands (ev): -7.9808 -7.9808 -7.9235 -7.9235 -7.9089 -7.9089 -7.9071 -7.9071 -7.5145 -7.5145 -7.5116 -7.5116 -7.4424 -7.4424 -7.4002 -7.4002 -7.3729 -7.3729 -7.3580 -7.3580 -0.7674 -0.7674 3.1379 3.1379 3.9538 3.9538 5.1219 5.1219 5.4168 5.4168 6.0945 6.0945 7.3845 7.3845 7.5534 7.5534 8.3813 8.3813 8.7638 8.7638 k = 0.1729 0.7379-0.0000 ( 4437 PWs) bands (ev): -7.9808 -7.9808 -7.9235 -7.9235 -7.9088 -7.9088 -7.9071 -7.9071 -7.5145 -7.5145 -7.5116 -7.5116 -7.4424 -7.4424 -7.4001 -7.4001 -7.3729 -7.3729 -7.3580 -7.3580 -0.7667 -0.7667 3.1278 3.1278 3.9800 3.9800 5.0888 5.0888 5.4235 5.4235 6.0786 6.0786 7.3476 7.3476 7.5650 7.5650 8.4362 8.4362 8.7959 8.7959 k = 0.1537 0.7379-0.0000 ( 4441 PWs) bands (ev): -7.9808 -7.9808 -7.9235 -7.9235 -7.9088 -7.9088 -7.9071 -7.9071 -7.5145 -7.5145 -7.5116 -7.5116 -7.4423 -7.4423 -7.4001 -7.4001 -7.3729 -7.3729 -7.3581 -7.3581 -0.7662 -0.7662 3.1154 3.1154 4.0113 4.0113 5.0557 5.0557 5.4307 5.4307 6.0599 6.0599 7.3103 7.3103 7.5746 7.5746 8.4926 8.4926 8.8332 8.8332 k = 0.1345 0.7379-0.0000 ( 4440 PWs) bands (ev): -7.9808 -7.9808 -7.9235 -7.9235 -7.9087 -7.9087 -7.9071 -7.9071 -7.5145 -7.5145 -7.5116 -7.5116 -7.4423 -7.4423 -7.4001 -7.4001 -7.3728 -7.3728 -7.3581 -7.3581 -0.7658 -0.7658 3.1019 3.1019 4.0459 4.0459 5.0228 5.0228 5.4382 5.4382 6.0399 6.0399 7.2739 7.2739 7.5824 7.5824 8.5474 8.5474 8.8739 8.8739 k = 0.1152 0.7379-0.0000 ( 4444 PWs) bands (ev): -7.9808 -7.9808 -7.9236 -7.9236 -7.9087 -7.9087 -7.9071 -7.9071 -7.5145 -7.5145 -7.5116 -7.5116 -7.4422 -7.4422 -7.4001 -7.4001 -7.3728 -7.3728 -7.3581 -7.3581 -0.7656 -0.7656 3.0884 3.0884 4.0820 4.0820 4.9907 4.9907 5.4456 5.4456 6.0198 6.0198 7.2398 7.2398 7.5886 7.5886 8.5979 8.5979 8.9162 8.9162 k = 0.0960 0.7379-0.0000 ( 4447 PWs) bands (ev): -7.9808 -7.9808 -7.9236 -7.9236 -7.9086 -7.9086 -7.9071 -7.9071 -7.5145 -7.5145 -7.5116 -7.5116 -7.4422 -7.4422 -7.4001 -7.4001 -7.3728 -7.3728 -7.3581 -7.3581 -0.7654 -0.7654 3.0758 3.0758 4.1178 4.1178 4.9601 4.9601 5.4526 5.4526 6.0009 6.0009 7.2092 7.2092 7.5935 7.5935 8.6423 8.6423 8.9580 8.9580 k = 0.0768 0.7379-0.0000 ( 4447 PWs) bands (ev): -7.9808 -7.9808 -7.9236 -7.9236 -7.9086 -7.9086 -7.9071 -7.9071 -7.5145 -7.5145 -7.5116 -7.5116 -7.4422 -7.4422 -7.4001 -7.4001 -7.3728 -7.3728 -7.3581 -7.3581 -0.7654 -0.7654 3.0646 3.0646 4.1514 4.1514 4.9319 4.9319 5.4589 5.4589 5.9840 5.9840 7.1828 7.1828 7.5971 7.5971 8.6791 8.6791 8.9973 8.9973 k = 0.0576 0.7379-0.0000 ( 4443 PWs) bands (ev): -7.9808 -7.9808 -7.9236 -7.9236 -7.9085 -7.9085 -7.9071 -7.9071 -7.5145 -7.5145 -7.5116 -7.5116 -7.4422 -7.4422 -7.4000 -7.4000 -7.3727 -7.3727 -7.3581 -7.3581 -0.7653 -0.7653 3.0554 3.0554 4.1807 4.1807 4.9074 4.9074 5.4641 5.4641 5.9701 5.9701 7.1615 7.1615 7.5996 7.5996 8.7078 8.7078 9.0318 9.0318 k = 0.0384 0.7379-0.0000 ( 4441 PWs) bands (ev): -7.9808 -7.9808 -7.9236 -7.9236 -7.9085 -7.9085 -7.9071 -7.9071 -7.5145 -7.5145 -7.5116 -7.5116 -7.4421 -7.4421 -7.4000 -7.4000 -7.3727 -7.3727 -7.3581 -7.3581 -0.7653 -0.7653 3.0487 3.0487 4.2038 4.2038 4.8882 4.8882 5.4681 5.4681 5.9597 5.9597 7.1458 7.1458 7.6013 7.6013 8.7283 8.7283 9.0589 9.0589 k = 0.0192 0.7379-0.0000 ( 4433 PWs) bands (ev): -7.9807 -7.9807 -7.9237 -7.9237 -7.9084 -7.9084 -7.9071 -7.9071 -7.5145 -7.5145 -7.5115 -7.5115 -7.4421 -7.4421 -7.4000 -7.4000 -7.3727 -7.3727 -7.3581 -7.3581 -0.7653 -0.7653 3.0445 3.0445 4.2187 4.2187 4.8758 4.8758 5.4705 5.4705 5.9532 5.9532 7.1363 7.1363 7.6023 7.6023 8.7405 8.7405 9.0764 9.0764 k = 0.0000 0.7379-0.0000 ( 4432 PWs) bands (ev): -7.9807 -7.9807 -7.9237 -7.9237 -7.9084 -7.9084 -7.9071 -7.9071 -7.5145 -7.5145 -7.5115 -7.5115 -7.4421 -7.4421 -7.4000 -7.4000 -7.3727 -7.3727 -7.3580 -7.3580 -0.7653 -0.7653 3.0431 3.0431 4.2238 4.2238 4.8715 4.8715 5.4714 5.4714 5.9511 5.9511 7.1330 7.1330 7.6026 7.6026 8.7445 8.7445 9.0825 9.0825 k = 0.0000 0.7379-0.0000 ( 4432 PWs) bands (ev): -7.9807 -7.9807 -7.9237 -7.9237 -7.9084 -7.9084 -7.9071 -7.9071 -7.5145 -7.5145 -7.5115 -7.5115 -7.4421 -7.4421 -7.4000 -7.4000 -7.3727 -7.3727 -7.3580 -7.3580 -0.7653 -0.7653 3.0431 3.0431 4.2238 4.2238 4.8715 4.8715 5.4714 5.4714 5.9511 5.9511 7.1330 7.1330 7.6026 7.6026 8.7445 8.7445 9.0825 9.0825 k = 0.0000 0.7379 0.0197 ( 4434 PWs) bands (ev): -7.9807 -7.9807 -7.9237 -7.9237 -7.9084 -7.9084 -7.9071 -7.9071 -7.5145 -7.5145 -7.5115 -7.5115 -7.4420 -7.4420 -7.4001 -7.4001 -7.3728 -7.3728 -7.3579 -7.3579 -0.7642 -0.7642 3.0405 3.0405 4.2232 4.2232 4.8740 4.8740 5.4734 5.4734 5.9488 5.9488 7.1305 7.1305 7.5984 7.5984 8.7460 8.7460 9.0847 9.0847 k = 0.0000 0.7379 0.0395 ( 4440 PWs) bands (ev): -7.9808 -7.9808 -7.9238 -7.9238 -7.9083 -7.9083 -7.9070 -7.9070 -7.5145 -7.5145 -7.5115 -7.5115 -7.4420 -7.4420 -7.4005 -7.4005 -7.3732 -7.3732 -7.3574 -7.3574 -0.7611 -0.7611 3.0327 3.0327 4.2214 4.2214 4.8815 4.8815 5.4792 5.4792 5.9420 5.9420 7.1229 7.1229 7.5858 7.5858 8.7505 8.7505 9.0915 9.0915 k = 0.0000 0.7379 0.0592 ( 4448 PWs) bands (ev): -7.9808 -7.9808 -7.9241 -7.9241 -7.9082 -7.9082 -7.9068 -7.9068 -7.5145 -7.5145 -7.5114 -7.5114 -7.4418 -7.4418 -7.4011 -7.4011 -7.3737 -7.3737 -7.3568 -7.3568 -0.7559 -0.7559 3.0196 3.0196 4.2193 4.2193 4.8939 4.8939 5.4884 5.4884 5.9308 5.9308 7.1103 7.1103 7.5653 7.5653 8.7583 8.7583 9.1029 9.1029 k = 0.0000 0.7379 0.0790 ( 4446 PWs) bands (ev): -7.9808 -7.9808 -7.9244 -7.9244 -7.9080 -7.9080 -7.9064 -7.9064 -7.5145 -7.5145 -7.5113 -7.5113 -7.4416 -7.4416 -7.4019 -7.4019 -7.3742 -7.3742 -7.3558 -7.3558 -0.7486 -0.7486 3.0007 3.0007 4.2176 4.2176 4.9110 4.9110 5.5005 5.5005 5.9156 5.9156 7.0929 7.0929 7.5373 7.5373 8.7698 8.7698 9.1188 9.1188 k = 0.0000 0.7379 0.0987 ( 4448 PWs) bands (ev): -7.9807 -7.9807 -7.9248 -7.9248 -7.9079 -7.9079 -7.9060 -7.9060 -7.5144 -7.5144 -7.5111 -7.5111 -7.4413 -7.4413 -7.4029 -7.4029 -7.3748 -7.3748 -7.3548 -7.3548 -0.7393 -0.7393 2.9758 2.9758 4.2174 4.2174 4.9328 4.9328 5.5146 5.5146 5.8968 5.8968 7.0709 7.0709 7.5026 7.5026 8.7855 8.7855 9.1392 9.1392 k = 0.0000 0.7379 0.1184 ( 4454 PWs) bands (ev): -7.9807 -7.9807 -7.9253 -7.9253 -7.9078 -7.9078 -7.9055 -7.9055 -7.5144 -7.5144 -7.5109 -7.5109 -7.4409 -7.4409 -7.4042 -7.4042 -7.3754 -7.3754 -7.3537 -7.3537 -0.7278 -0.7278 2.9447 2.9447 4.2199 4.2199 4.9588 4.9588 5.5300 5.5300 5.8749 5.8749 7.0446 7.0446 7.4620 7.4620 8.8057 8.8057 9.1640 9.1640 k = 0.0000 0.7379 0.1382 ( 4458 PWs) bands (ev): -7.9806 -7.9806 -7.9258 -7.9258 -7.9077 -7.9077 -7.9049 -7.9049 -7.5144 -7.5144 -7.5107 -7.5107 -7.4405 -7.4405 -7.4056 -7.4056 -7.3759 -7.3759 -7.3527 -7.3527 -0.7144 -0.7144 2.9071 2.9071 4.2261 4.2261 4.9888 4.9888 5.5457 5.5457 5.8505 5.8505 7.0142 7.0142 7.4164 7.4164 8.8305 8.8305 9.1932 9.1932 k = 0.0000 0.7379 0.1579 ( 4460 PWs) bands (ev): -7.9805 -7.9805 -7.9264 -7.9264 -7.9075 -7.9075 -7.9042 -7.9042 -7.5143 -7.5143 -7.5104 -7.5104 -7.4399 -7.4399 -7.4070 -7.4070 -7.3765 -7.3765 -7.3516 -7.3516 -0.6988 -0.6988 2.8631 2.8631 4.2367 4.2367 5.0224 5.0224 5.5611 5.5611 5.8243 5.8243 6.9803 6.9803 7.3669 7.3669 8.8600 8.8600 9.2264 9.2264 k = 0.0000 0.7379 0.1777 ( 4456 PWs) bands (ev): -7.9803 -7.9803 -7.9269 -7.9269 -7.9073 -7.9073 -7.9035 -7.9035 -7.5142 -7.5142 -7.5102 -7.5102 -7.4394 -7.4394 -7.4085 -7.4085 -7.3769 -7.3769 -7.3506 -7.3506 -0.6812 -0.6812 2.8129 2.8129 4.2523 4.2523 5.0589 5.0589 5.5754 5.5754 5.7973 5.7973 6.9431 6.9431 7.3144 7.3144 8.8942 8.8942 9.2635 9.2635 k = 0.0000 0.7379 0.1974 ( 4464 PWs) bands (ev): -7.9802 -7.9802 -7.9276 -7.9276 -7.9072 -7.9072 -7.9028 -7.9028 -7.5142 -7.5142 -7.5099 -7.5099 -7.4388 -7.4388 -7.4102 -7.4102 -7.3773 -7.3773 -7.3497 -7.3497 -0.6615 -0.6615 2.7567 2.7567 4.2731 4.2731 5.0975 5.0975 5.5881 5.5881 5.7706 5.7706 6.9033 6.9033 7.2598 7.2598 8.9328 8.9328 9.3040 9.3040 k = 0.0000 0.7379 0.2171 ( 4464 PWs) bands (ev): -7.9799 -7.9799 -7.9282 -7.9282 -7.9071 -7.9071 -7.9020 -7.9020 -7.5141 -7.5141 -7.5096 -7.5096 -7.4381 -7.4381 -7.4119 -7.4119 -7.3776 -7.3776 -7.3488 -7.3488 -0.6398 -0.6398 2.6951 2.6951 4.2992 4.2992 5.1370 5.1370 5.5984 5.5984 5.7457 5.7457 6.8612 6.8612 7.2040 7.2040 8.9758 8.9758 9.3475 9.3475 k = 0.0000 0.7379 0.2369 ( 4460 PWs) bands (ev): -7.9796 -7.9796 -7.9289 -7.9289 -7.9069 -7.9069 -7.9013 -7.9013 -7.5140 -7.5140 -7.5092 -7.5092 -7.4375 -7.4375 -7.4135 -7.4135 -7.3779 -7.3779 -7.3480 -7.3480 -0.6160 -0.6160 2.6286 2.6286 4.3303 4.3303 5.1759 5.1759 5.6059 5.6059 5.7246 5.7246 6.8175 6.8175 7.1478 7.1478 9.0226 9.0226 9.3933 9.3933 k = 0.0000 0.7379 0.2566 ( 4454 PWs) bands (ev): -7.9793 -7.9793 -7.9296 -7.9296 -7.9066 -7.9066 -7.9006 -7.9006 -7.5139 -7.5139 -7.5089 -7.5089 -7.4368 -7.4368 -7.4150 -7.4150 -7.3781 -7.3781 -7.3473 -7.3473 -0.5902 -0.5902 2.5578 2.5578 4.3661 4.3661 5.2118 5.2118 5.6101 5.6101 5.7099 5.7099 6.7726 6.7726 7.0920 7.0920 9.0730 9.0730 9.4407 9.4407 k = 0.0000 0.7379 0.2764 ( 4450 PWs) bands (ev): -7.9790 -7.9790 -7.9303 -7.9303 -7.9064 -7.9064 -7.8998 -7.8998 -7.5139 -7.5139 -7.5085 -7.5085 -7.4361 -7.4361 -7.4165 -7.4165 -7.3782 -7.3782 -7.3467 -7.3467 -0.5624 -0.5624 2.4833 2.4833 4.4063 4.4063 5.2419 5.2419 5.6109 5.6109 5.7044 5.7044 6.7271 6.7271 7.0371 7.0371 9.1265 9.1265 9.4890 9.4890 k = 0.0000 0.7379 0.2961 ( 4456 PWs) bands (ev): -7.9786 -7.9786 -7.9311 -7.9311 -7.9062 -7.9062 -7.8992 -7.8992 -7.5139 -7.5139 -7.5081 -7.5081 -7.4355 -7.4355 -7.4178 -7.4178 -7.3784 -7.3784 -7.3463 -7.3463 -0.5326 -0.5326 2.4057 2.4057 4.4501 4.4501 5.2630 5.2630 5.6097 5.6097 5.7099 5.7099 6.6814 6.6814 6.9838 6.9838 9.1827 9.1827 9.5375 9.5375 k = 0.0000 0.7379 0.3159 ( 4456 PWs) bands (ev): -7.9781 -7.9781 -7.9319 -7.9319 -7.9060 -7.9060 -7.8985 -7.8985 -7.5139 -7.5139 -7.5078 -7.5078 -7.4350 -7.4350 -7.4190 -7.4190 -7.3785 -7.3785 -7.3460 -7.3460 -0.5007 -0.5007 2.3255 2.3255 4.4970 4.4970 5.2729 5.2729 5.6077 5.6077 5.7270 5.7270 6.6363 6.6363 6.9326 6.9326 9.2411 9.2411 9.5858 9.5858 k = 0.0000 0.7379 0.3356 ( 4458 PWs) bands (ev): -7.9776 -7.9776 -7.9327 -7.9327 -7.9058 -7.9058 -7.8979 -7.8979 -7.5139 -7.5139 -7.5074 -7.5074 -7.4345 -7.4345 -7.4200 -7.4200 -7.3786 -7.3786 -7.3459 -7.3459 -0.4669 -0.4669 2.2433 2.2433 4.5463 4.5463 5.2717 5.2717 5.6051 5.6051 5.7555 5.7555 6.5923 6.5923 6.8840 6.8840 9.3010 9.3010 9.6339 9.6339 k = 0.0000 0.7379 0.3553 ( 4464 PWs) bands (ev): -7.9770 -7.9770 -7.9336 -7.9336 -7.9055 -7.9055 -7.8974 -7.8974 -7.5139 -7.5139 -7.5071 -7.5071 -7.4341 -7.4341 -7.4207 -7.4207 -7.3786 -7.3786 -7.3459 -7.3459 -0.4311 -0.4311 2.1595 2.1595 4.5973 4.5973 5.2612 5.2612 5.6014 5.6014 5.7936 5.7936 6.5501 6.5501 6.8383 6.8383 9.3618 9.3618 9.6817 9.6817 k = 0.0000 0.7379 0.3751 ( 4458 PWs) bands (ev): -7.9763 -7.9763 -7.9344 -7.9344 -7.9052 -7.9052 -7.8969 -7.8969 -7.5139 -7.5139 -7.5067 -7.5067 -7.4338 -7.4338 -7.4212 -7.4212 -7.3786 -7.3786 -7.3460 -7.3460 -0.3933 -0.3933 2.0745 2.0745 4.6490 4.6490 5.2443 5.2443 5.5967 5.5967 5.8381 5.8381 6.5106 6.5106 6.7959 6.7959 9.4227 9.4227 9.7294 9.7294 k = 0.0000 0.7379 0.3948 ( 4456 PWs) bands (ev): -7.9756 -7.9756 -7.9353 -7.9353 -7.9049 -7.9049 -7.8964 -7.8964 -7.5140 -7.5140 -7.5064 -7.5064 -7.4336 -7.4336 -7.4214 -7.4214 -7.3785 -7.3785 -7.3462 -7.3462 -0.3535 -0.3535 1.9887 1.9887 4.7006 4.7006 5.2234 5.2234 5.5913 5.5913 5.8855 5.8855 6.4752 6.4752 6.7572 6.7572 9.4827 9.4827 9.7773 9.7773 k = 0.0000 0.7379 0.4146 ( 4456 PWs) bands (ev): -7.9748 -7.9748 -7.9363 -7.9363 -7.9046 -7.9046 -7.8961 -7.8961 -7.5141 -7.5141 -7.5062 -7.5062 -7.4335 -7.4335 -7.4215 -7.4215 -7.3784 -7.3784 -7.3466 -7.3466 -0.3118 -0.3118 1.9025 1.9025 4.7511 4.7511 5.2003 5.2003 5.5858 5.5858 5.9319 5.9319 6.4455 6.4455 6.7223 6.7223 9.5408 9.5408 9.8262 9.8262 k = 0.0000 0.7379 0.4343 ( 4458 PWs) bands (ev): -7.9740 -7.9740 -7.9373 -7.9373 -7.9043 -7.9043 -7.8958 -7.8958 -7.5141 -7.5141 -7.5061 -7.5061 -7.4334 -7.4334 -7.4213 -7.4213 -7.3782 -7.3782 -7.3471 -7.3471 -0.2682 -0.2682 1.8160 1.8160 4.7993 4.7993 5.1764 5.1764 5.5810 5.5810 5.9734 5.9734 6.4239 6.4239 6.6917 6.6917 9.5960 9.5960 9.8772 9.8772 k = 0.0000 0.7379 0.4540 ( 4466 PWs) bands (ev): -7.9731 -7.9731 -7.9383 -7.9383 -7.9040 -7.9040 -7.8955 -7.8955 -7.5142 -7.5142 -7.5060 -7.5060 -7.4333 -7.4333 -7.4212 -7.4212 -7.3780 -7.3780 -7.3477 -7.3477 -0.2227 -0.2227 1.7295 1.7295 4.8443 4.8443 5.1526 5.1526 5.5778 5.5778 6.0057 6.0057 6.4133 6.4133 6.6654 6.6654 9.6476 9.6476 9.9312 9.9312 k = 0.0000 0.7379 0.4738 ( 4466 PWs) bands (ev): -7.9722 -7.9722 -7.9394 -7.9394 -7.9036 -7.9036 -7.8954 -7.8954 -7.5142 -7.5142 -7.5060 -7.5060 -7.4331 -7.4331 -7.4209 -7.4209 -7.3776 -7.3776 -7.3484 -7.3484 -0.1752 -0.1752 1.6433 1.6433 4.8849 4.8849 5.1295 5.1295 5.5770 5.5770 6.0253 6.0253 6.4162 6.4162 6.6438 6.6438 9.6952 9.6952 9.9887 9.9887 k = 0.0000 0.7379 0.4935 ( 4464 PWs) bands (ev): -7.9711 -7.9711 -7.9405 -7.9405 -7.9032 -7.9032 -7.8952 -7.8952 -7.5141 -7.5141 -7.5061 -7.5061 -7.4328 -7.4328 -7.4206 -7.4206 -7.3772 -7.3772 -7.3493 -7.3493 -0.1259 -0.1259 1.5575 1.5575 4.9200 4.9200 5.1076 5.1076 5.5795 5.5795 6.0311 6.0311 6.4324 6.4324 6.6267 6.6267 9.7390 9.7390 10.0495 10.0495 k = 0.0000 0.7379 0.5133 ( 4468 PWs) bands (ev): -7.9701 -7.9701 -7.9416 -7.9416 -7.9028 -7.9028 -7.8952 -7.8952 -7.5141 -7.5141 -7.5063 -7.5063 -7.4325 -7.4325 -7.4204 -7.4204 -7.3767 -7.3767 -7.3503 -7.3503 -0.0747 -0.0747 1.4723 1.4723 4.9490 4.9490 5.0872 5.0872 5.5856 5.5856 6.0252 6.0252 6.4591 6.4591 6.6145 6.6145 9.7795 9.7795 10.1122 10.1122 k = 0.0000 0.7379 0.5330 ( 4462 PWs) bands (ev): -7.9689 -7.9689 -7.9428 -7.9428 -7.9024 -7.9024 -7.8952 -7.8952 -7.5140 -7.5140 -7.5065 -7.5065 -7.4320 -7.4320 -7.4202 -7.4202 -7.3761 -7.3761 -7.3513 -7.3513 -0.0216 -0.0216 1.3878 1.3878 4.9714 4.9714 5.0686 5.0686 5.5956 5.5956 6.0111 6.0111 6.4919 6.4919 6.6071 6.6071 9.8174 9.8174 10.1705 10.1705 k = 0.0000 0.7379 0.5527 ( 4472 PWs) bands (ev): -7.9678 -7.9678 -7.9440 -7.9440 -7.9019 -7.9019 -7.8952 -7.8952 -7.5139 -7.5139 -7.5068 -7.5068 -7.4314 -7.4314 -7.4201 -7.4201 -7.3754 -7.3754 -7.3525 -7.3525 0.0333 0.0333 1.3043 1.3043 4.9875 4.9875 5.0520 5.0520 5.6093 5.6093 5.9920 5.9920 6.5266 6.5266 6.6043 6.6043 9.8533 9.8533 10.2014 10.2014 k = 0.0000 0.7379 0.5725 ( 4474 PWs) bands (ev): -7.9666 -7.9666 -7.9452 -7.9452 -7.9015 -7.9015 -7.8954 -7.8954 -7.5138 -7.5138 -7.5072 -7.5072 -7.4307 -7.4307 -7.4201 -7.4201 -7.3746 -7.3746 -7.3537 -7.3537 0.0900 0.0900 1.2217 1.2217 4.9976 4.9976 5.0377 5.0377 5.6259 5.6259 5.9703 5.9703 6.5600 6.5600 6.6064 6.6064 9.8876 9.8876 10.2102 10.2102 k = 0.0000 0.7379 0.5922 ( 4472 PWs) bands (ev): -7.9654 -7.9654 -7.9465 -7.9465 -7.9010 -7.9010 -7.8955 -7.8955 -7.5136 -7.5136 -7.5076 -7.5076 -7.4299 -7.4299 -7.4202 -7.4202 -7.3737 -7.3737 -7.3550 -7.3550 0.1485 0.1485 1.1402 1.1402 5.0026 5.0026 5.0259 5.0259 5.6448 5.6448 5.9473 5.9473 6.5888 6.5888 6.6140 6.6140 9.9205 9.9205 10.2111 10.2111 k = 0.0000 0.7379 0.6120 ( 4470 PWs) bands (ev): -7.9641 -7.9641 -7.9478 -7.9478 -7.9006 -7.9006 -7.8957 -7.8957 -7.5134 -7.5134 -7.5081 -7.5081 -7.4291 -7.4291 -7.4204 -7.4204 -7.3727 -7.3727 -7.3563 -7.3563 0.2088 0.2088 1.0598 1.0598 5.0031 5.0031 5.0169 5.0169 5.6652 5.6652 5.9239 5.9239 6.6089 6.6089 6.6292 6.6292 9.9523 9.9523 10.2071 10.2071 k = 0.0000 0.7379 0.6317 ( 4462 PWs) bands (ev): -7.9627 -7.9627 -7.9491 -7.9491 -7.9001 -7.9001 -7.8960 -7.8960 -7.5131 -7.5131 -7.5086 -7.5086 -7.4281 -7.4281 -7.4206 -7.4206 -7.3716 -7.3716 -7.3577 -7.3577 0.2708 0.2708 0.9807 0.9807 5.0000 5.0000 5.0110 5.0110 5.6862 5.6862 5.9007 5.9007 6.6228 6.6228 6.6481 6.6481 9.9829 9.9829 10.1992 10.1992 k = 0.0000 0.7379 0.6514 ( 4464 PWs) bands (ev): -7.9614 -7.9614 -7.9504 -7.9504 -7.8996 -7.8996 -7.8963 -7.8963 -7.5128 -7.5128 -7.5091 -7.5091 -7.4272 -7.4272 -7.4210 -7.4210 -7.3704 -7.3704 -7.3592 -7.3592 0.3346 0.3346 0.9030 0.9030 4.9959 4.9959 5.0064 5.0064 5.7074 5.7074 5.8778 5.8778 6.6358 6.6358 6.6639 6.6639 10.0124 10.0124 10.1879 10.1879 k = 0.0000 0.7379 0.6712 ( 4466 PWs) bands (ev): -7.9601 -7.9601 -7.9518 -7.9518 -7.8991 -7.8991 -7.8966 -7.8966 -7.5124 -7.5124 -7.5096 -7.5096 -7.4263 -7.4263 -7.4216 -7.4216 -7.3692 -7.3692 -7.3607 -7.3607 0.4000 0.4000 0.8266 0.8266 4.9927 4.9927 5.0022 5.0022 5.7286 5.7286 5.8555 5.8555 6.6485 6.6485 6.6748 6.6748 10.0406 10.0406 10.1737 10.1737 k = 0.0000 0.7379 0.6909 ( 4466 PWs) bands (ev): -7.9587 -7.9587 -7.9531 -7.9531 -7.8987 -7.8987 -7.8970 -7.8970 -7.5120 -7.5120 -7.5101 -7.5101 -7.4254 -7.4254 -7.4222 -7.4222 -7.3679 -7.3679 -7.3622 -7.3622 0.4671 0.4671 0.7517 0.7517 4.9909 4.9909 4.9982 4.9982 5.7496 5.7496 5.8338 5.8338 6.6604 6.6604 6.6805 6.6805 10.0674 10.0674 10.1569 10.1569 k = 0.0000 0.7379 0.7107 ( 4462 PWs) bands (ev): -7.9573 -7.9573 -7.9545 -7.9545 -7.8982 -7.8982 -7.8974 -7.8974 -7.5116 -7.5116 -7.5106 -7.5106 -7.4245 -7.4245 -7.4229 -7.4229 -7.3665 -7.3665 -7.3636 -7.3636 0.5359 0.5359 0.6782 0.6782 4.9908 4.9908 4.9947 4.9947 5.7705 5.7705 5.8124 5.8124 6.6704 6.6704 6.6813 6.6813 10.0926 10.0926 10.1376 10.1376 k = 0.0000 0.7379 0.7304 ( 4460 PWs) bands (ev): -7.9559 -7.9559 -7.9559 -7.9559 -7.8978 -7.8978 -7.8978 -7.8978 -7.5111 -7.5111 -7.5111 -7.5111 -7.4237 -7.4237 -7.4237 -7.4237 -7.3651 -7.3651 -7.3651 -7.3651 0.6063 0.6063 0.6063 0.6063 4.9921 4.9921 4.9921 4.9921 5.7914 5.7914 5.7914 5.7914 6.6777 6.6777 6.6777 6.6777 10.1161 10.1161 10.1161 10.1161 k = 0.0000 0.7379 0.7304 ( 4460 PWs) bands (ev): -7.9559 -7.9559 -7.9559 -7.9559 -7.8978 -7.8978 -7.8978 -7.8978 -7.5111 -7.5111 -7.5111 -7.5111 -7.4237 -7.4237 -7.4237 -7.4237 -7.3651 -7.3651 -7.3651 -7.3651 0.6063 0.6063 0.6063 0.6063 4.9921 4.9921 4.9921 4.9921 5.7914 5.7914 5.7914 5.7914 6.6777 6.6777 6.6777 6.6777 10.1161 10.1161 10.1161 10.1161 k = 0.0192 0.7379 0.7304 ( 4454 PWs) bands (ev): -7.9559 -7.9559 -7.9558 -7.9558 -7.8979 -7.8979 -7.8976 -7.8976 -7.5111 -7.5111 -7.5110 -7.5110 -7.4237 -7.4237 -7.4235 -7.4235 -7.3650 -7.3650 -7.3650 -7.3650 0.6052 0.6052 0.6081 0.6081 4.9881 4.9881 4.9903 4.9903 5.7933 5.7933 5.7941 5.7941 6.6761 6.6761 6.6809 6.6809 10.1116 10.1116 10.1136 10.1136 k = 0.0384 0.7379 0.7304 ( 4458 PWs) bands (ev): -7.9559 -7.9559 -7.9558 -7.9558 -7.8981 -7.8981 -7.8975 -7.8975 -7.5112 -7.5112 -7.5110 -7.5110 -7.4239 -7.4239 -7.4235 -7.4235 -7.3651 -7.3651 -7.3650 -7.3650 0.6049 0.6049 0.6106 0.6106 4.9782 4.9782 4.9827 4.9827 5.7998 5.7998 5.8014 5.8014 6.6761 6.6761 6.6856 6.6856 10.1003 10.1003 10.1041 10.1041 k = 0.0576 0.7379 0.7304 ( 4460 PWs) bands (ev): -7.9560 -7.9560 -7.9558 -7.9558 -7.8983 -7.8983 -7.8973 -7.8973 -7.5112 -7.5112 -7.5109 -7.5109 -7.4240 -7.4240 -7.4234 -7.4234 -7.3651 -7.3651 -7.3650 -7.3650 0.6053 0.6053 0.6138 0.6138 4.9632 4.9632 4.9698 4.9698 5.8103 5.8103 5.8126 5.8126 6.6776 6.6776 6.6917 6.6917 10.0823 10.0823 10.0877 10.0877 k = 0.0768 0.7379 0.7304 ( 4464 PWs) bands (ev): -7.9560 -7.9560 -7.9558 -7.9558 -7.8984 -7.8984 -7.8972 -7.8972 -7.5113 -7.5113 -7.5109 -7.5109 -7.4241 -7.4241 -7.4233 -7.4233 -7.3651 -7.3651 -7.3650 -7.3650 0.6064 0.6064 0.6177 0.6177 4.9437 4.9437 4.9524 4.9524 5.8242 5.8242 5.8273 5.8273 6.6805 6.6805 6.6991 6.6991 10.0582 10.0582 10.0647 10.0647 k = 0.0960 0.7379 0.7304 ( 4464 PWs) bands (ev): -7.9561 -7.9561 -7.9558 -7.9558 -7.8986 -7.8986 -7.8971 -7.8971 -7.5113 -7.5113 -7.5109 -7.5109 -7.4242 -7.4242 -7.4232 -7.4232 -7.3651 -7.3651 -7.3650 -7.3650 0.6082 0.6082 0.6221 0.6221 4.9206 4.9206 4.9313 4.9313 5.8407 5.8407 5.8446 5.8446 6.6845 6.6845 6.7075 6.7075 10.0285 10.0285 10.0356 10.0356 k = 0.1152 0.7379 0.7304 ( 4462 PWs) bands (ev): -7.9561 -7.9561 -7.9557 -7.9557 -7.8987 -7.8987 -7.8970 -7.8970 -7.5114 -7.5114 -7.5108 -7.5108 -7.4243 -7.4243 -7.4231 -7.4231 -7.3651 -7.3651 -7.3650 -7.3650 0.6106 0.6106 0.6271 0.6271 4.8948 4.8948 4.9075 4.9075 5.8592 5.8592 5.8638 5.8638 6.6896 6.6896 6.7166 6.7166 9.9940 9.9940 10.0010 10.0010 k = 0.1345 0.7379 0.7304 ( 4468 PWs) bands (ev): -7.9561 -7.9561 -7.9557 -7.9557 -7.8989 -7.8989 -7.8969 -7.8969 -7.5114 -7.5114 -7.5108 -7.5108 -7.4244 -7.4244 -7.4231 -7.4231 -7.3651 -7.3651 -7.3650 -7.3650 0.6135 0.6135 0.6325 0.6325 4.8674 4.8674 4.8818 4.8818 5.8788 5.8788 5.8841 5.8841 6.6953 6.6953 6.7261 6.7261 9.9553 9.9553 9.9620 9.9620 k = 0.1537 0.7379 0.7304 ( 4468 PWs) bands (ev): -7.9562 -7.9562 -7.9557 -7.9557 -7.8990 -7.8990 -7.8968 -7.8968 -7.5114 -7.5114 -7.5108 -7.5108 -7.4245 -7.4245 -7.4230 -7.4230 -7.3651 -7.3651 -7.3650 -7.3650 0.6170 0.6170 0.6382 0.6382 4.8390 4.8390 4.8551 4.8551 5.8989 5.8989 5.9048 5.9048 6.7015 6.7015 6.7356 6.7356 9.9136 9.9136 9.9194 9.9194 k = 0.1729 0.7379 0.7304 ( 4468 PWs) bands (ev): -7.9562 -7.9562 -7.9557 -7.9557 -7.8991 -7.8991 -7.8967 -7.8967 -7.5114 -7.5114 -7.5108 -7.5108 -7.4246 -7.4246 -7.4230 -7.4230 -7.3652 -7.3652 -7.3650 -7.3650 0.6208 0.6208 0.6441 0.6441 4.8106 4.8106 4.8281 4.8281 5.9189 5.9189 5.9255 5.9255 6.7077 6.7077 6.7447 6.7447 9.8698 9.8698 9.8745 9.8745 k = 0.1921 0.7379 0.7304 ( 4462 PWs) bands (ev): -7.9562 -7.9562 -7.9556 -7.9556 -7.8992 -7.8992 -7.8966 -7.8966 -7.5114 -7.5114 -7.5107 -7.5107 -7.4246 -7.4246 -7.4229 -7.4229 -7.3651 -7.3651 -7.3650 -7.3650 0.6249 0.6249 0.6501 0.6501 4.7828 4.7828 4.8016 4.8016 5.9383 5.9383 5.9455 5.9455 6.7137 6.7137 6.7533 6.7533 9.8250 9.8250 9.8284 9.8284 k = 0.2113 0.7379 0.7304 ( 4460 PWs) bands (ev): -7.9562 -7.9562 -7.9556 -7.9556 -7.8993 -7.8993 -7.8965 -7.8965 -7.5114 -7.5114 -7.5107 -7.5107 -7.4247 -7.4247 -7.4229 -7.4229 -7.3651 -7.3651 -7.3650 -7.3650 0.6292 0.6292 0.6561 0.6561 4.7562 4.7562 4.7762 4.7762 5.9566 5.9566 5.9645 5.9645 6.7192 6.7192 6.7608 6.7608 9.7803 9.7803 9.7821 9.7821 k = 0.2305 0.7379 0.7304 ( 4460 PWs) bands (ev): -7.9562 -7.9562 -7.9556 -7.9556 -7.8994 -7.8994 -7.8965 -7.8965 -7.5114 -7.5114 -7.5107 -7.5107 -7.4248 -7.4248 -7.4228 -7.4228 -7.3652 -7.3652 -7.3650 -7.3650 0.6336 0.6336 0.6619 0.6619 4.7315 4.7315 4.7523 4.7523 5.9734 5.9734 5.9820 5.9820 6.7240 6.7240 6.7670 6.7670 9.7365 9.7365 9.7369 9.7369 k = 0.2497 0.7379 0.7304 ( 4460 PWs) bands (ev): -7.9562 -7.9562 -7.9556 -7.9556 -7.8994 -7.8994 -7.8965 -7.8965 -7.5114 -7.5114 -7.5107 -7.5107 -7.4248 -7.4248 -7.4228 -7.4228 -7.3652 -7.3652 -7.3651 -7.3651 0.6380 0.6380 0.6675 0.6675 4.7091 4.7091 4.7305 4.7305 5.9883 5.9883 5.9976 5.9976 6.7277 6.7277 6.7718 6.7718 9.6935 9.6935 9.6946 9.6946 k = 0.2689 0.7379 0.7304 ( 4460 PWs) bands (ev): -7.9562 -7.9562 -7.9555 -7.9555 -7.8995 -7.8995 -7.8965 -7.8965 -7.5114 -7.5114 -7.5106 -7.5106 -7.4249 -7.4249 -7.4228 -7.4228 -7.3652 -7.3652 -7.3651 -7.3651 0.6423 0.6423 0.6727 0.6727 4.6895 4.6895 4.7111 4.7111 6.0010 6.0010 6.0111 6.0111 6.7302 6.7302 6.7748 6.7748 9.6530 9.6530 9.6554 9.6554 k = 0.2881 0.7379 0.7304 ( 4462 PWs) bands (ev): -7.9563 -7.9563 -7.9555 -7.9555 -7.8995 -7.8995 -7.8965 -7.8965 -7.5113 -7.5113 -7.5106 -7.5106 -7.4250 -7.4250 -7.4228 -7.4228 -7.3652 -7.3652 -7.3651 -7.3651 0.6462 0.6462 0.6773 0.6773 4.6731 4.6731 4.6947 4.6947 6.0113 6.0113 6.0221 6.0221 6.7313 6.7313 6.7759 6.7759 9.6161 9.6161 9.6197 9.6197 k = 0.2881 0.7379 0.7304 ( 4462 PWs) bands (ev): -7.9563 -7.9563 -7.9555 -7.9555 -7.8995 -7.8995 -7.8965 -7.8965 -7.5113 -7.5113 -7.5106 -7.5106 -7.4250 -7.4250 -7.4228 -7.4228 -7.3652 -7.3652 -7.3651 -7.3651 0.6462 0.6462 0.6773 0.6773 4.6731 4.6731 4.6947 4.6947 6.0113 6.0113 6.0221 6.0221 6.7313 6.7313 6.7759 6.7759 9.6161 9.6161 9.6197 9.6197 k = 0.2811 0.7199 0.7304 ( 4454 PWs) bands (ev): -7.9562 -7.9562 -7.9556 -7.9556 -7.8994 -7.8994 -7.8964 -7.8964 -7.5114 -7.5114 -7.5106 -7.5106 -7.4248 -7.4248 -7.4228 -7.4228 -7.3652 -7.3652 -7.3650 -7.3650 0.6359 0.6359 0.6654 0.6654 4.7140 4.7140 4.7363 4.7363 5.9880 5.9880 5.9968 5.9968 6.7283 6.7283 6.7731 6.7731 9.7114 9.7114 9.7119 9.7119 k = 0.2741 0.7019 0.7304 ( 4454 PWs) bands (ev): -7.9562 -7.9562 -7.9556 -7.9556 -7.8993 -7.8993 -7.8964 -7.8964 -7.5115 -7.5115 -7.5106 -7.5106 -7.4246 -7.4246 -7.4228 -7.4228 -7.3652 -7.3652 -7.3650 -7.3650 0.6259 0.6259 0.6539 0.6539 4.7552 4.7552 4.7784 4.7784 5.9675 5.9675 5.9743 5.9743 6.7215 6.7215 6.7659 6.7659 9.8015 9.8015 9.8040 9.8040 k = 0.2670 0.6839 0.7304 ( 4452 PWs) bands (ev): -7.9561 -7.9561 -7.9557 -7.9557 -7.8992 -7.8992 -7.8964 -7.8964 -7.5115 -7.5115 -7.5106 -7.5106 -7.4245 -7.4245 -7.4228 -7.4228 -7.3652 -7.3652 -7.3649 -7.3649 0.6165 0.6165 0.6429 0.6429 4.7963 4.7963 4.8208 4.8208 5.9498 5.9498 5.9547 5.9547 6.7109 6.7109 6.7540 6.7540 9.8876 9.8876 9.8930 9.8930 k = 0.2600 0.6659 0.7304 ( 4460 PWs) bands (ev): -7.9561 -7.9561 -7.9557 -7.9557 -7.8992 -7.8992 -7.8964 -7.8964 -7.5116 -7.5116 -7.5106 -7.5106 -7.4244 -7.4244 -7.4228 -7.4228 -7.3652 -7.3652 -7.3649 -7.3649 0.6077 0.6077 0.6324 0.6324 4.8371 4.8371 4.8631 4.8631 5.9347 5.9347 5.9378 5.9378 6.6964 6.6964 6.7377 6.7377 9.9694 9.9694 9.9770 9.9770 k = 0.2530 0.6479 0.7304 ( 4468 PWs) bands (ev): -7.9561 -7.9561 -7.9558 -7.9558 -7.8991 -7.8991 -7.8965 -7.8965 -7.5117 -7.5117 -7.5106 -7.5106 -7.4244 -7.4244 -7.4229 -7.4229 -7.3653 -7.3653 -7.3649 -7.3649 0.5996 0.5996 0.6226 0.6226 4.8771 4.8771 4.9050 4.9050 5.9221 5.9221 5.9235 5.9235 6.6784 6.6784 6.7169 6.7169 10.0456 10.0456 10.0538 10.0538 k = 0.2459 0.6299 0.7304 ( 4460 PWs) bands (ev): -7.9560 -7.9560 -7.9559 -7.9559 -7.8990 -7.8990 -7.8964 -7.8964 -7.5117 -7.5117 -7.5105 -7.5105 -7.4243 -7.4243 -7.4229 -7.4229 -7.3653 -7.3653 -7.3649 -7.3649 0.5922 0.5922 0.6134 0.6134 4.9162 4.9162 4.9463 4.9463 5.9116 5.9116 5.9118 5.9118 6.6569 6.6569 6.6920 6.6920 10.1138 10.1138 10.1191 10.1191 k = 0.2389 0.6119 0.7304 ( 4468 PWs) bands (ev): -7.9560 -7.9560 -7.9560 -7.9560 -7.8989 -7.8989 -7.8965 -7.8965 -7.5118 -7.5118 -7.5105 -7.5105 -7.4242 -7.4242 -7.4230 -7.4230 -7.3654 -7.3654 -7.3649 -7.3649 0.5855 0.5855 0.6050 0.6050 4.9541 4.9541 4.9866 4.9866 5.9018 5.9018 5.9035 5.9035 6.6324 6.6324 6.6633 6.6633 10.1650 10.1650 10.1693 10.1693 k = 0.2319 0.5939 0.7304 ( 4464 PWs) bands (ev): -7.9561 -7.9561 -7.9559 -7.9559 -7.8988 -7.8988 -7.8965 -7.8965 -7.5118 -7.5118 -7.5105 -7.5105 -7.4241 -7.4241 -7.4231 -7.4231 -7.3654 -7.3654 -7.3649 -7.3649 0.5796 0.5796 0.5974 0.5974 4.9905 4.9905 5.0257 5.0257 5.8937 5.8937 5.8967 5.8967 6.6053 6.6053 6.6313 6.6313 10.1800 10.1800 10.2031 10.2031 k = 0.2249 0.5759 0.7304 ( 4472 PWs) bands (ev): -7.9562 -7.9562 -7.9559 -7.9559 -7.8987 -7.8987 -7.8965 -7.8965 -7.5119 -7.5119 -7.5105 -7.5105 -7.4241 -7.4241 -7.4232 -7.4232 -7.3655 -7.3655 -7.3649 -7.3649 0.5745 0.5745 0.5905 0.5905 5.0252 5.0252 5.0634 5.0634 5.8870 5.8870 5.8911 5.8911 6.5761 6.5761 6.5965 6.5965 10.1609 10.1609 10.2033 10.2033 k = 0.2178 0.5579 0.7304 ( 4464 PWs) bands (ev): -7.9563 -7.9563 -7.9559 -7.9559 -7.8986 -7.8986 -7.8965 -7.8965 -7.5118 -7.5118 -7.5104 -7.5104 -7.4240 -7.4240 -7.4232 -7.4232 -7.3655 -7.3655 -7.3649 -7.3649 0.5702 0.5702 0.5845 0.5845 5.0580 5.0580 5.0994 5.0994 5.8812 5.8812 5.8861 5.8861 6.5454 6.5454 6.5596 6.5596 10.1196 10.1196 10.1713 10.1713 k = 0.2108 0.5399 0.7304 ( 4460 PWs) bands (ev): -7.9563 -7.9563 -7.9558 -7.9558 -7.8985 -7.8985 -7.8965 -7.8965 -7.5118 -7.5118 -7.5104 -7.5104 -7.4240 -7.4240 -7.4233 -7.4233 -7.3656 -7.3656 -7.3649 -7.3649 0.5667 0.5667 0.5793 0.5793 5.0889 5.0889 5.1336 5.1336 5.8757 5.8757 5.8813 5.8813 6.5139 6.5139 6.5213 6.5213 10.0696 10.0696 10.1235 10.1235 k = 0.2038 0.5219 0.7304 ( 4458 PWs) bands (ev): -7.9564 -7.9564 -7.9558 -7.9558 -7.8984 -7.8984 -7.8965 -7.8965 -7.5118 -7.5118 -7.5103 -7.5103 -7.4239 -7.4239 -7.4234 -7.4234 -7.3657 -7.3657 -7.3650 -7.3650 0.5639 0.5639 0.5749 0.5749 5.1175 5.1175 5.1655 5.1655 5.8701 5.8701 5.8759 5.8759 6.4823 6.4823 6.4824 6.4824 10.0189 10.0189 10.0718 10.0718 k = 0.1968 0.5039 0.7304 ( 4446 PWs) bands (ev): -7.9565 -7.9565 -7.9557 -7.9557 -7.8982 -7.8982 -7.8965 -7.8965 -7.5118 -7.5118 -7.5102 -7.5102 -7.4239 -7.4239 -7.4234 -7.4234 -7.3657 -7.3657 -7.3650 -7.3650 0.5620 0.5620 0.5713 0.5713 5.1437 5.1437 5.1951 5.1951 5.8638 5.8638 5.8697 5.8697 6.4439 6.4439 6.4513 6.4513 9.9715 9.9715 10.0222 10.0222 k = 0.1897 0.4859 0.7304 ( 4448 PWs) bands (ev): -7.9566 -7.9566 -7.9558 -7.9558 -7.8982 -7.8982 -7.8966 -7.8966 -7.5117 -7.5117 -7.5102 -7.5102 -7.4239 -7.4239 -7.4236 -7.4236 -7.3657 -7.3657 -7.3650 -7.3650 0.5609 0.5609 0.5685 0.5685 5.1672 5.1672 5.2220 5.2220 5.8562 5.8562 5.8621 5.8621 6.4067 6.4067 6.4215 6.4215 9.9292 9.9292 9.9776 9.9776 k = 0.1827 0.4680 0.7304 ( 4440 PWs) bands (ev): -7.9566 -7.9566 -7.9557 -7.9557 -7.8980 -7.8980 -7.8966 -7.8966 -7.5117 -7.5117 -7.5101 -7.5101 -7.4239 -7.4239 -7.4237 -7.4237 -7.3658 -7.3658 -7.3650 -7.3650 0.5604 0.5604 0.5665 0.5665 5.1879 5.1879 5.2460 5.2460 5.8468 5.8468 5.8528 5.8528 6.3717 6.3717 6.3937 6.3937 9.8934 9.8934 9.9394 9.9394 k = 0.1757 0.4500 0.7304 ( 4456 PWs) bands (ev): -7.9568 -7.9568 -7.9558 -7.9558 -7.8980 -7.8980 -7.8967 -7.8967 -7.5118 -7.5118 -7.5101 -7.5101 -7.4239 -7.4239 -7.4238 -7.4238 -7.3660 -7.3660 -7.3652 -7.3652 0.5606 0.5606 0.5652 0.5652 5.2055 5.2055 5.2664 5.2664 5.8355 5.8355 5.8418 5.8418 6.3397 6.3397 6.3682 6.3682 9.8647 9.8647 9.9083 9.9083 k = 0.1686 0.4320 0.7304 ( 4460 PWs) bands (ev): -7.9568 -7.9568 -7.9558 -7.9558 -7.8980 -7.8980 -7.8967 -7.8967 -7.5117 -7.5117 -7.5100 -7.5100 -7.4240 -7.4240 -7.4240 -7.4240 -7.3661 -7.3661 -7.3652 -7.3652 0.5615 0.5615 0.5646 0.5646 5.2195 5.2195 5.2831 5.2831 5.8222 5.8222 5.8291 5.8291 6.3115 6.3115 6.3455 6.3455 9.8433 9.8433 9.8847 9.8847 k = 0.1616 0.4140 0.7304 ( 4472 PWs) bands (ev): -7.9570 -7.9570 -7.9559 -7.9559 -7.8980 -7.8980 -7.8968 -7.8968 -7.5117 -7.5117 -7.5100 -7.5100 -7.4242 -7.4242 -7.4241 -7.4241 -7.3662 -7.3662 -7.3654 -7.3654 0.5629 0.5629 0.5646 0.5646 5.2297 5.2297 5.2952 5.2952 5.8073 5.8073 5.8153 5.8153 6.2876 6.2876 6.3259 6.3259 9.8292 9.8292 9.8687 9.8687 k = 0.1546 0.3960 0.7304 ( 4474 PWs) bands (ev): -7.9570 -7.9570 -7.9559 -7.9559 -7.8979 -7.8979 -7.8968 -7.8968 -7.5117 -7.5117 -7.5100 -7.5100 -7.4243 -7.4243 -7.4241 -7.4241 -7.3663 -7.3663 -7.3655 -7.3655 0.5648 0.5648 0.5652 0.5652 5.2359 5.2359 5.3025 5.3025 5.7913 5.7913 5.8006 5.8006 6.2682 6.2682 6.3093 6.3093 9.8224 9.8224 9.8601 9.8601 k = 0.1476 0.3780 0.7304 ( 4474 PWs) bands (ev): -7.9571 -7.9571 -7.9560 -7.9560 -7.8978 -7.8978 -7.8968 -7.8968 -7.5117 -7.5117 -7.5100 -7.5100 -7.4244 -7.4244 -7.4241 -7.4241 -7.3664 -7.3664 -7.3656 -7.3656 0.5664 0.5664 0.5672 0.5672 5.2376 5.2376 5.3043 5.3043 5.7749 5.7749 5.7856 5.7856 6.2532 6.2532 6.2959 6.2959 9.8225 9.8225 9.8587 9.8587 k = 0.1405 0.3600 0.7304 ( 4474 PWs) bands (ev): -7.9572 -7.9572 -7.9560 -7.9560 -7.8978 -7.8978 -7.8969 -7.8969 -7.5116 -7.5116 -7.5099 -7.5099 -7.4245 -7.4245 -7.4242 -7.4242 -7.3665 -7.3665 -7.3656 -7.3656 0.5680 0.5680 0.5700 0.5700 5.2350 5.2350 5.3005 5.3005 5.7590 5.7590 5.7709 5.7709 6.2428 6.2428 6.2857 6.2857 9.8292 9.8292 9.8639 9.8639 k = 0.1335 0.3420 0.7304 ( 4478 PWs) bands (ev): -7.9573 -7.9573 -7.9561 -7.9561 -7.8977 -7.8977 -7.8969 -7.8969 -7.5116 -7.5116 -7.5099 -7.5099 -7.4247 -7.4247 -7.4243 -7.4243 -7.3666 -7.3666 -7.3658 -7.3658 0.5701 0.5701 0.5731 0.5731 5.2280 5.2280 5.2911 5.2911 5.7439 5.7439 5.7565 5.7565 6.2365 6.2365 6.2785 6.2785 9.8418 9.8418 9.8753 9.8753 k = 0.1265 0.3240 0.7304 ( 4482 PWs) bands (ev): -7.9573 -7.9573 -7.9561 -7.9561 -7.8977 -7.8977 -7.8969 -7.8969 -7.5115 -7.5115 -7.5098 -7.5098 -7.4248 -7.4248 -7.4243 -7.4243 -7.3667 -7.3667 -7.3659 -7.3659 0.5725 0.5725 0.5765 0.5765 5.2172 5.2172 5.2766 5.2766 5.7298 5.7298 5.7427 5.7427 6.2342 6.2342 6.2744 6.2744 9.8597 9.8597 9.8920 9.8920 k = 0.1195 0.3060 0.7304 ( 4490 PWs) bands (ev): -7.9574 -7.9574 -7.9562 -7.9562 -7.8977 -7.8977 -7.8970 -7.8970 -7.5115 -7.5115 -7.5099 -7.5099 -7.4249 -7.4249 -7.4244 -7.4244 -7.3668 -7.3668 -7.3660 -7.3660 0.5752 0.5752 0.5800 0.5800 5.2029 5.2029 5.2578 5.2578 5.7166 5.7166 5.7291 5.7291 6.2356 6.2356 6.2734 6.2734 9.8821 9.8821 9.9132 9.9132 k = 0.1124 0.2880 0.7304 ( 4490 PWs) bands (ev): -7.9575 -7.9575 -7.9563 -7.9563 -7.8976 -7.8976 -7.8970 -7.8970 -7.5115 -7.5115 -7.5098 -7.5098 -7.4250 -7.4250 -7.4245 -7.4245 -7.3669 -7.3669 -7.3661 -7.3661 0.5782 0.5782 0.5836 0.5836 5.1860 5.1860 5.2358 5.2358 5.7039 5.7039 5.7157 5.7157 6.2405 6.2405 6.2753 6.2753 9.9082 9.9082 9.9381 9.9381 k = 0.1054 0.2700 0.7304 ( 4498 PWs) bands (ev): -7.9576 -7.9576 -7.9564 -7.9564 -7.8977 -7.8977 -7.8970 -7.8970 -7.5115 -7.5115 -7.5098 -7.5098 -7.4252 -7.4252 -7.4246 -7.4246 -7.3670 -7.3670 -7.3662 -7.3662 0.5813 0.5813 0.5873 0.5873 5.1671 5.1671 5.2115 5.2115 5.6912 5.6912 5.7021 5.7021 6.2484 6.2484 6.2800 6.2800 9.9372 9.9372 9.9656 9.9656 k = 0.0984 0.2520 0.7304 ( 4498 PWs) bands (ev): -7.9576 -7.9576 -7.9565 -7.9565 -7.8976 -7.8976 -7.8970 -7.8970 -7.5114 -7.5114 -7.5098 -7.5098 -7.4253 -7.4253 -7.4247 -7.4247 -7.3671 -7.3671 -7.3663 -7.3663 0.5845 0.5845 0.5910 0.5910 5.1470 5.1470 5.1860 5.1860 5.6782 5.6782 5.6880 5.6880 6.2591 6.2591 6.2874 6.2874 9.9680 9.9680 9.9947 9.9947 k = 0.0914 0.2340 0.7304 ( 4502 PWs) bands (ev): -7.9576 -7.9576 -7.9566 -7.9566 -7.8976 -7.8976 -7.8970 -7.8970 -7.5114 -7.5114 -7.5098 -7.5098 -7.4254 -7.4254 -7.4247 -7.4247 -7.3672 -7.3672 -7.3664 -7.3664 0.5878 0.5878 0.5945 0.5945 5.1265 5.1265 5.1601 5.1601 5.6648 5.6648 5.6735 5.6735 6.2720 6.2720 6.2970 6.2970 9.9998 9.9998 10.0245 10.0245 k = 0.0843 0.2160 0.7304 ( 4502 PWs) bands (ev): -7.9577 -7.9577 -7.9566 -7.9566 -7.8976 -7.8976 -7.8971 -7.8971 -7.5113 -7.5113 -7.5098 -7.5098 -7.4254 -7.4254 -7.4248 -7.4248 -7.3673 -7.3673 -7.3665 -7.3665 0.5911 0.5911 0.5980 0.5980 5.1060 5.1060 5.1347 5.1347 5.6509 5.6509 5.6584 5.6584 6.2867 6.2867 6.3085 6.3085 10.0316 10.0316 10.0538 10.0538 k = 0.0773 0.1980 0.7304 ( 4502 PWs) bands (ev): -7.9577 -7.9577 -7.9567 -7.9567 -7.8975 -7.8975 -7.8971 -7.8971 -7.5112 -7.5112 -7.5098 -7.5098 -7.4255 -7.4255 -7.4249 -7.4249 -7.3673 -7.3673 -7.3666 -7.3666 0.5944 0.5944 0.6013 0.6013 5.0861 5.0861 5.1103 5.1103 5.6366 5.6366 5.6430 5.6430 6.3027 6.3027 6.3216 6.3216 10.0625 10.0625 10.0818 10.0818 k = 0.0703 0.1800 0.7304 ( 4506 PWs) bands (ev): -7.9577 -7.9577 -7.9568 -7.9568 -7.8975 -7.8975 -7.8971 -7.8971 -7.5111 -7.5111 -7.5098 -7.5098 -7.4256 -7.4256 -7.4250 -7.4250 -7.3674 -7.3674 -7.3668 -7.3668 0.5976 0.5976 0.6044 0.6044 5.0672 5.0672 5.0873 5.0873 5.6222 5.6222 5.6275 5.6275 6.3194 6.3194 6.3355 6.3355 10.0917 10.0917 10.1078 10.1078 k = 0.0632 0.1620 0.7304 ( 4506 PWs) bands (ev): -7.9577 -7.9577 -7.9569 -7.9569 -7.8975 -7.8975 -7.8972 -7.8972 -7.5110 -7.5110 -7.5099 -7.5099 -7.4256 -7.4256 -7.4251 -7.4251 -7.3674 -7.3674 -7.3668 -7.3668 0.6006 0.6006 0.6072 0.6072 5.0497 5.0497 5.0660 5.0660 5.6077 5.6077 5.6121 5.6121 6.3363 6.3363 6.3500 6.3500 10.1187 10.1187 10.1313 10.1313 k = 0.0562 0.1440 0.7304 ( 4510 PWs) bands (ev): -7.9577 -7.9577 -7.9569 -7.9569 -7.8975 -7.8975 -7.8972 -7.8972 -7.5109 -7.5109 -7.5099 -7.5099 -7.4257 -7.4257 -7.4252 -7.4252 -7.3675 -7.3675 -7.3669 -7.3669 0.6035 0.6035 0.6097 0.6097 5.0337 5.0337 5.0468 5.0468 5.5937 5.5937 5.5972 5.5972 6.3530 6.3530 6.3644 6.3644 10.1429 10.1429 10.1519 10.1519 k = 0.0492 0.1260 0.7304 ( 4510 PWs) bands (ev): -7.9577 -7.9577 -7.9570 -7.9570 -7.8975 -7.8975 -7.8972 -7.8972 -7.5108 -7.5108 -7.5099 -7.5099 -7.4257 -7.4257 -7.4253 -7.4253 -7.3675 -7.3675 -7.3670 -7.3670 0.6062 0.6062 0.6119 0.6119 5.0194 5.0194 5.0298 5.0298 5.5803 5.5803 5.5830 5.5830 6.3689 6.3689 6.3784 6.3784 10.1641 10.1641 10.1695 10.1695 k = 0.0422 0.1080 0.7304 ( 4510 PWs) bands (ev): -7.9577 -7.9577 -7.9571 -7.9571 -7.8974 -7.8974 -7.8972 -7.8972 -7.5108 -7.5108 -7.5100 -7.5100 -7.4257 -7.4257 -7.4253 -7.4253 -7.3675 -7.3675 -7.3671 -7.3671 0.6086 0.6086 0.6137 0.6137 5.0069 5.0069 5.0149 5.0149 5.5680 5.5680 5.5700 5.5700 6.3836 6.3836 6.3914 6.3914 10.1823 10.1823 10.1845 10.1845 k = 0.0351 0.0900 0.7304 ( 4506 PWs) bands (ev): -7.9577 -7.9577 -7.9572 -7.9572 -7.8974 -7.8974 -7.8972 -7.8972 -7.5107 -7.5107 -7.5100 -7.5100 -7.4257 -7.4257 -7.4254 -7.4254 -7.3675 -7.3675 -7.3672 -7.3672 0.6108 0.6108 0.6153 0.6153 4.9964 4.9964 5.0024 5.0024 5.5569 5.5569 5.5584 5.5584 6.3969 6.3969 6.4030 6.4030 10.1969 10.1969 10.1973 10.1973 k = 0.0281 0.0720 0.7304 ( 4506 PWs) bands (ev): -7.9576 -7.9576 -7.9572 -7.9572 -7.8974 -7.8974 -7.8973 -7.8973 -7.5106 -7.5106 -7.5100 -7.5100 -7.4257 -7.4257 -7.4255 -7.4255 -7.3675 -7.3675 -7.3672 -7.3672 0.6128 0.6128 0.6164 0.6164 4.9878 4.9878 4.9922 4.9922 5.5475 5.5475 5.5485 5.5485 6.4083 6.4083 6.4130 6.4130 10.2071 10.2071 10.2092 10.2092 k = 0.0211 0.0540 0.7304 ( 4502 PWs) bands (ev): -7.9576 -7.9576 -7.9573 -7.9573 -7.8974 -7.8974 -7.8973 -7.8973 -7.5105 -7.5105 -7.5101 -7.5101 -7.4257 -7.4257 -7.4255 -7.4255 -7.3675 -7.3675 -7.3673 -7.3673 0.6144 0.6144 0.6172 0.6172 4.9811 4.9811 4.9842 4.9842 5.5399 5.5399 5.5405 5.5405 6.4175 6.4175 6.4210 6.4210 10.2152 10.2152 10.2182 10.2182 k = 0.0141 0.0360 0.7304 ( 4502 PWs) bands (ev): -7.9576 -7.9576 -7.9573 -7.9573 -7.8973 -7.8973 -7.8973 -7.8973 -7.5104 -7.5104 -7.5102 -7.5102 -7.4257 -7.4257 -7.4255 -7.4255 -7.3675 -7.3675 -7.3674 -7.3674 0.6157 0.6157 0.6176 0.6176 4.9765 4.9765 4.9784 4.9784 5.5343 5.5343 5.5347 5.5347 6.4245 6.4245 6.4267 6.4267 10.2215 10.2215 10.2242 10.2242 k = 0.0070 0.0180 0.7304 ( 4498 PWs) bands (ev): -7.9575 -7.9575 -7.9574 -7.9574 -7.8973 -7.8973 -7.8973 -7.8973 -7.5103 -7.5103 -7.5102 -7.5102 -7.4256 -7.4256 -7.4255 -7.4255 -7.3674 -7.3674 -7.3674 -7.3674 0.6167 0.6167 0.6177 0.6177 4.9739 4.9739 4.9748 4.9748 5.5309 5.5309 5.5311 5.5311 6.4289 6.4289 6.4300 6.4300 10.2257 10.2257 10.2273 10.2273 k = 0.0000 0.0000 0.7304 ( 4498 PWs) bands (ev): -7.9575 -7.9575 -7.9575 -7.9575 -7.8973 -7.8973 -7.8973 -7.8973 -7.5103 -7.5103 -7.5103 -7.5103 -7.4256 -7.4256 -7.4256 -7.4256 -7.3674 -7.3674 -7.3674 -7.3674 0.6174 0.6174 0.6174 0.6174 4.9733 4.9733 4.9733 4.9733 5.5298 5.5298 5.5298 5.5298 6.4307 6.4307 6.4307 6.4307 10.2278 10.2278 10.2278 10.2278 k = 0.0000 0.0000 0.7304 ( 4498 PWs) bands (ev): -7.9575 -7.9575 -7.9575 -7.9575 -7.8973 -7.8973 -7.8973 -7.8973 -7.5103 -7.5103 -7.5103 -7.5103 -7.4256 -7.4256 -7.4256 -7.4256 -7.3674 -7.3674 -7.3674 -7.3674 0.6174 0.6174 0.6174 0.6174 4.9733 4.9733 4.9733 4.9733 5.5298 5.5298 5.5298 5.5298 6.4307 6.4307 6.4307 6.4307 10.2278 10.2278 10.2278 10.2278 k = 0.0000 0.0000 0.7107 ( 4494 PWs) bands (ev): -7.9589 -7.9589 -7.9559 -7.9559 -7.8978 -7.8978 -7.8968 -7.8968 -7.5108 -7.5108 -7.5097 -7.5097 -7.4262 -7.4262 -7.4249 -7.4249 -7.3690 -7.3690 -7.3658 -7.3658 0.5171 0.5171 0.7186 0.7186 4.8952 4.8952 5.0539 5.0539 5.5034 5.5034 5.5598 5.5598 6.4173 6.4173 6.4437 6.4437 10.1814 10.1814 10.2577 10.2577 k = 0.0000 0.0000 0.6909 ( 4498 PWs) bands (ev): -7.9605 -7.9605 -7.9545 -7.9545 -7.8983 -7.8983 -7.8963 -7.8963 -7.5113 -7.5113 -7.5093 -7.5093 -7.4269 -7.4269 -7.4243 -7.4243 -7.3707 -7.3707 -7.3642 -7.3642 0.4179 0.4179 0.8205 0.8205 4.8200 4.8200 5.1367 5.1367 5.4804 5.4804 5.5933 5.5933 6.4033 6.4033 6.4564 6.4564 10.1192 10.1192 10.2719 10.2719 k = 0.0000 0.0000 0.6712 ( 4494 PWs) bands (ev): -7.9620 -7.9620 -7.9530 -7.9530 -7.8989 -7.8989 -7.8959 -7.8959 -7.5118 -7.5118 -7.5088 -7.5088 -7.4275 -7.4275 -7.4236 -7.4236 -7.3723 -7.3723 -7.3626 -7.3626 0.3201 0.3201 0.9227 0.9227 4.7479 4.7479 5.2215 5.2215 5.4609 5.4609 5.6303 5.6303 6.3885 6.3885 6.4689 6.4689 10.0428 10.0428 10.2723 10.2723 k = 0.0000 0.0000 0.6514 ( 4492 PWs) bands (ev): -7.9635 -7.9635 -7.9516 -7.9516 -7.8994 -7.8994 -7.8955 -7.8955 -7.5123 -7.5123 -7.5084 -7.5084 -7.4281 -7.4281 -7.4231 -7.4231 -7.3738 -7.3738 -7.3610 -7.3610 0.2238 0.2238 1.0249 1.0249 4.6794 4.6794 5.3077 5.3077 5.4449 5.4449 5.6708 5.6708 6.3727 6.3727 6.4813 6.4813 9.9543 9.9543 10.2618 10.2618 k = 0.0000 0.0000 0.6317 ( 4488 PWs) bands (ev): -7.9648 -7.9648 -7.9502 -7.9502 -7.9001 -7.9001 -7.8951 -7.8951 -7.5128 -7.5128 -7.5080 -7.5080 -7.4285 -7.4285 -7.4227 -7.4227 -7.3753 -7.3753 -7.3595 -7.3595 0.1293 0.1293 1.1267 1.1267 4.6149 4.6149 5.3943 5.3943 5.4335 5.4335 5.7149 5.7149 6.3559 6.3559 6.4936 6.4936 9.8560 9.8560 10.2430 10.2430 k = 0.0000 0.0000 0.6120 ( 4478 PWs) bands (ev): -7.9663 -7.9663 -7.9488 -7.9488 -7.9006 -7.9006 -7.8948 -7.8948 -7.5132 -7.5132 -7.5077 -7.5077 -7.4289 -7.4289 -7.4222 -7.4222 -7.3766 -7.3766 -7.3581 -7.3581 0.0366 0.0366 1.2275 1.2275 4.5548 4.5548 5.4209 5.4209 5.4864 5.4864 5.7625 5.7625 6.3378 6.3378 6.5059 6.5059 9.7504 9.7504 10.2183 10.2183 k = 0.0000 0.0000 0.5922 ( 4482 PWs) bands (ev): -7.9677 -7.9677 -7.9475 -7.9475 -7.9012 -7.9012 -7.8946 -7.8946 -7.5137 -7.5137 -7.5074 -7.5074 -7.4293 -7.4293 -7.4220 -7.4220 -7.3779 -7.3779 -7.3568 -7.3568 -0.0542 -0.0542 1.3269 1.3269 4.4998 4.4998 5.4151 5.4151 5.5757 5.5757 5.8135 5.8135 6.3183 6.3183 6.5182 6.5182 9.6397 9.6397 10.1893 10.1893 k = 0.0000 0.0000 0.5725 ( 4482 PWs) bands (ev): -7.9691 -7.9691 -7.9462 -7.9462 -7.9018 -7.9018 -7.8944 -7.8944 -7.5142 -7.5142 -7.5072 -7.5072 -7.4296 -7.4296 -7.4218 -7.4218 -7.3791 -7.3791 -7.3555 -7.3555 -0.1428 -0.1428 1.4243 1.4243 4.4504 4.4504 5.4120 5.4120 5.6661 5.6661 5.8680 5.8680 6.2974 6.2974 6.5303 6.5303 9.5260 9.5260 10.1570 10.1570 k = 0.0000 0.0000 0.5527 ( 4478 PWs) bands (ev): -7.9704 -7.9704 -7.9450 -7.9450 -7.9023 -7.9023 -7.8942 -7.8942 -7.5147 -7.5147 -7.5070 -7.5070 -7.4297 -7.4297 -7.4218 -7.4218 -7.3801 -7.3801 -7.3542 -7.3542 -0.2292 -0.2292 1.5189 1.5189 4.4073 4.4073 5.4118 5.4118 5.7568 5.7568 5.9258 5.9258 6.2749 6.2749 6.5423 6.5423 9.4110 9.4110 10.1217 10.1217 k = 0.0000 0.0000 0.5330 ( 4474 PWs) bands (ev): -7.9717 -7.9717 -7.9439 -7.9439 -7.9029 -7.9029 -7.8941 -7.8941 -7.5151 -7.5151 -7.5069 -7.5069 -7.4298 -7.4298 -7.4219 -7.4219 -7.3810 -7.3810 -7.3531 -7.3531 -0.3133 -0.3133 1.6100 1.6100 4.3711 4.3711 5.4146 5.4146 5.8472 5.8472 5.9870 5.9870 6.2512 6.2512 6.5540 6.5540 9.2964 9.2964 10.0831 10.0831 k = 0.0000 0.0000 0.5133 ( 4478 PWs) bands (ev): -7.9729 -7.9729 -7.9428 -7.9428 -7.9035 -7.9035 -7.8942 -7.8942 -7.5155 -7.5155 -7.5068 -7.5068 -7.4298 -7.4298 -7.4221 -7.4221 -7.3818 -7.3818 -7.3522 -7.3522 -0.3951 -0.3951 1.6968 1.6968 4.3428 4.3428 5.4201 5.4201 5.9364 5.9364 6.0513 6.0513 6.2268 6.2268 6.5651 6.5651 9.1835 9.1835 10.0400 10.0400 k = 0.0000 0.0000 0.4935 ( 4478 PWs) bands (ev): -7.9741 -7.9741 -7.9418 -7.9418 -7.9041 -7.9041 -7.8942 -7.8942 -7.5159 -7.5159 -7.5068 -7.5068 -7.4298 -7.4298 -7.4225 -7.4225 -7.3824 -7.3824 -7.3512 -7.3512 -0.4744 -0.4744 1.7784 1.7784 4.3231 4.3231 5.4283 5.4283 6.0218 6.0218 6.1183 6.1183 6.2045 6.2045 6.5756 6.5756 9.0736 9.0736 9.9920 9.9920 k = 0.0000 0.0000 0.4738 ( 4474 PWs) bands (ev): -7.9752 -7.9752 -7.9408 -7.9408 -7.9046 -7.9046 -7.8944 -7.8944 -7.5162 -7.5162 -7.5068 -7.5068 -7.4296 -7.4296 -7.4229 -7.4229 -7.3829 -7.3829 -7.3504 -7.3504 -0.5511 -0.5511 1.8538 1.8538 4.3127 4.3127 5.4391 5.4391 6.0899 6.0899 6.1833 6.1833 6.2020 6.2020 6.5852 6.5852 8.9677 8.9677 9.9397 9.9397 k = 0.0000 0.0000 0.4540 ( 4470 PWs) bands (ev): -7.9762 -7.9762 -7.9398 -7.9398 -7.9051 -7.9051 -7.8946 -7.8946 -7.5165 -7.5165 -7.5069 -7.5069 -7.4295 -7.4295 -7.4233 -7.4233 -7.3832 -7.3832 -7.3497 -7.3497 -0.6252 -0.6252 1.9224 1.9224 4.3125 4.3125 5.4523 5.4523 6.1017 6.1017 6.2387 6.2387 6.2656 6.2656 6.5936 6.5936 8.8668 8.8668 9.8846 9.8846 k = 0.0000 0.0000 0.4343 ( 4462 PWs) bands (ev): -7.9771 -7.9771 -7.9389 -7.9389 -7.9056 -7.9056 -7.8949 -7.8949 -7.5167 -7.5167 -7.5070 -7.5070 -7.4296 -7.4296 -7.4236 -7.4236 -7.3833 -7.3833 -7.3491 -7.3491 -0.6966 -0.6966 1.9833 1.9833 4.3230 4.3230 5.4678 5.4678 6.0781 6.0781 6.3174 6.3174 6.3414 6.3414 6.6004 6.6004 8.7718 8.7718 9.8276 9.8276 k = 0.0000 0.0000 0.4146 ( 4458 PWs) bands (ev): -7.9780 -7.9780 -7.9381 -7.9381 -7.9062 -7.9062 -7.8953 -7.8953 -7.5170 -7.5170 -7.5071 -7.5071 -7.4299 -7.4299 -7.4237 -7.4237 -7.3833 -7.3833 -7.3486 -7.3486 -0.7653 -0.7653 2.0362 2.0362 4.3445 4.3445 5.4854 5.4854 6.0459 6.0459 6.4009 6.4009 6.4203 6.4203 6.6056 6.6056 8.6834 8.6834 9.7697 9.7697 k = 0.0000 0.0000 0.3948 ( 4462 PWs) bands (ev): -7.9788 -7.9788 -7.9373 -7.9373 -7.9067 -7.9067 -7.8959 -7.8959 -7.5172 -7.5172 -7.5073 -7.5073 -7.4305 -7.4305 -7.4235 -7.4235 -7.3833 -7.3833 -7.3482 -7.3482 -0.8312 -0.8312 2.0806 2.0806 4.3771 4.3771 5.5048 5.5048 6.0106 6.0106 6.4843 6.4843 6.5018 6.5018 6.6088 6.6088 8.6023 8.6023 9.7112 9.7112 k = 0.0000 0.0000 0.3751 ( 4462 PWs) bands (ev): -7.9794 -7.9794 -7.9366 -7.9366 -7.9072 -7.9072 -7.8965 -7.8965 -7.5174 -7.5174 -7.5075 -7.5075 -7.4313 -7.4313 -7.4230 -7.4230 -7.3831 -7.3831 -7.3480 -7.3480 -0.8942 -0.8942 2.1167 2.1167 4.4206 4.4206 5.5260 5.5260 5.9735 5.9735 6.5652 6.5652 6.5854 6.5854 6.6106 6.6106 8.5290 8.5290 9.6526 9.6526 k = 0.0000 0.0000 0.3553 ( 4462 PWs) bands (ev): -7.9800 -7.9800 -7.9359 -7.9359 -7.9076 -7.9076 -7.8971 -7.8971 -7.5175 -7.5175 -7.5077 -7.5077 -7.4324 -7.4324 -7.4223 -7.4223 -7.3828 -7.3828 -7.3479 -7.3479 -0.9544 -0.9544 2.1448 2.1448 4.4744 4.4744 5.5486 5.5486 5.9354 5.9354 6.6051 6.6051 6.6482 6.6482 6.6716 6.6716 8.4640 8.4640 9.5944 9.5944 k = 0.0000 0.0000 0.3356 ( 4460 PWs) bands (ev): -7.9805 -7.9805 -7.9352 -7.9352 -7.9081 -7.9081 -7.8978 -7.8978 -7.5176 -7.5176 -7.5079 -7.5079 -7.4336 -7.4336 -7.4214 -7.4214 -7.3825 -7.3825 -7.3478 -7.3478 -1.0115 -1.0115 2.1653 2.1653 4.5376 4.5376 5.5725 5.5725 5.8967 5.8967 6.6018 6.6018 6.7240 6.7240 6.7590 6.7590 8.4075 8.4075 9.5368 9.5368 k = 0.0000 0.0000 0.3159 ( 4460 PWs) bands (ev): -7.9810 -7.9810 -7.9346 -7.9346 -7.9086 -7.9086 -7.8986 -7.8986 -7.5177 -7.5177 -7.5082 -7.5082 -7.4348 -7.4348 -7.4204 -7.4204 -7.3821 -7.3821 -7.3479 -7.3479 -1.0657 -1.0657 2.1792 2.1792 4.6091 4.6091 5.5974 5.5974 5.8579 5.8579 6.5949 6.5949 6.7974 6.7974 6.8478 6.8478 8.3595 8.3595 9.4802 9.4802 k = 0.0000 0.0000 0.2961 ( 4454 PWs) bands (ev): -7.9814 -7.9814 -7.9339 -7.9339 -7.9089 -7.9089 -7.8995 -7.8995 -7.5178 -7.5178 -7.5084 -7.5084 -7.4361 -7.4361 -7.4194 -7.4194 -7.3816 -7.3816 -7.3481 -7.3481 -1.1168 -1.1168 2.1873 2.1873 4.6874 4.6874 5.6230 5.6230 5.8195 5.8195 6.5856 6.5856 6.8673 6.8673 6.9375 6.9375 8.3201 8.3201 9.4249 9.4249 k = 0.0000 0.0000 0.2764 ( 4446 PWs) bands (ev): -7.9816 -7.9816 -7.9333 -7.9333 -7.9093 -7.9093 -7.9004 -7.9004 -7.5178 -7.5178 -7.5086 -7.5086 -7.4374 -7.4374 -7.4183 -7.4183 -7.3810 -7.3810 -7.3483 -7.3483 -1.1648 -1.1648 2.1904 2.1904 4.7712 4.7712 5.6489 5.6489 5.7819 5.7819 6.5742 6.5742 6.9333 6.9333 7.0276 7.0276 8.2889 8.2889 9.3713 9.3713 k = 0.0000 0.0000 0.2566 ( 4454 PWs) bands (ev): -7.9819 -7.9819 -7.9328 -7.9328 -7.9097 -7.9097 -7.9013 -7.9013 -7.5178 -7.5178 -7.5089 -7.5089 -7.4387 -7.4387 -7.4172 -7.4172 -7.3804 -7.3804 -7.3488 -7.3488 -1.2097 -1.2097 2.1896 2.1896 4.8589 4.8589 5.6743 5.6743 5.7459 5.7459 6.5611 6.5611 6.9950 6.9950 7.1175 7.1175 8.2655 8.2655 9.3195 9.3195 k = 0.0000 0.0000 0.2369 ( 4456 PWs) bands (ev): -7.9821 -7.9821 -7.9323 -7.9323 -7.9100 -7.9100 -7.9023 -7.9023 -7.5178 -7.5178 -7.5091 -7.5091 -7.4400 -7.4400 -7.4161 -7.4161 -7.3798 -7.3798 -7.3493 -7.3493 -1.2514 -1.2514 2.1858 2.1858 4.9489 4.9489 5.6928 5.6928 5.7181 5.7181 6.5470 6.5470 7.0523 7.0523 7.2066 7.2066 8.2493 8.2493 9.2700 9.2700 k = 0.0000 0.0000 0.2171 ( 4458 PWs) bands (ev): -7.9822 -7.9822 -7.9318 -7.9318 -7.9104 -7.9104 -7.9034 -7.9034 -7.5177 -7.5177 -7.5093 -7.5093 -7.4413 -7.4413 -7.4150 -7.4150 -7.3791 -7.3791 -7.3499 -7.3499 -1.2899 -1.2899 2.1796 2.1796 5.0395 5.0395 5.6712 5.6712 5.7316 5.7316 6.5325 6.5325 7.1049 7.1049 7.2943 7.2943 8.2396 8.2396 9.2229 9.2229 k = 0.0000 0.0000 0.1974 ( 4452 PWs) bands (ev): -7.9823 -7.9823 -7.9313 -7.9313 -7.9106 -7.9106 -7.9044 -7.9044 -7.5177 -7.5177 -7.5095 -7.5095 -7.4424 -7.4424 -7.4139 -7.4139 -7.3784 -7.3784 -7.3504 -7.3504 -1.3252 -1.3252 2.1719 2.1719 5.1291 5.1291 5.6405 5.6405 5.7555 5.7555 6.5184 6.5184 7.1527 7.1527 7.3795 7.3795 8.2358 8.2358 9.1787 9.1787 k = 0.0000 0.0000 0.1777 ( 4452 PWs) bands (ev): -7.9823 -7.9823 -7.9308 -7.9308 -7.9109 -7.9109 -7.9054 -7.9054 -7.5176 -7.5176 -7.5097 -7.5097 -7.4435 -7.4435 -7.4129 -7.4129 -7.3776 -7.3776 -7.3511 -7.3511 -1.3572 -1.3572 2.1633 2.1633 5.2158 5.2158 5.6112 5.6112 5.7792 5.7792 6.5052 6.5052 7.1956 7.1956 7.4614 7.4614 8.2369 8.2369 9.1375 9.1375 k = 0.0000 0.0000 0.1579 ( 4450 PWs) bands (ev): -7.9823 -7.9823 -7.9303 -7.9303 -7.9112 -7.9112 -7.9064 -7.9064 -7.5175 -7.5175 -7.5098 -7.5098 -7.4445 -7.4445 -7.4120 -7.4120 -7.3769 -7.3769 -7.3518 -7.3518 -1.3860 -1.3860 2.1542 2.1542 5.2980 5.2980 5.5842 5.5842 5.8018 5.8018 6.4936 6.4936 7.2337 7.2337 7.5390 7.5390 8.2420 8.2420 9.0998 9.0998 k = 0.0000 0.0000 0.1382 ( 4438 PWs) bands (ev): -7.9822 -7.9822 -7.9299 -7.9299 -7.9114 -7.9114 -7.9073 -7.9073 -7.5174 -7.5174 -7.5099 -7.5099 -7.4453 -7.4453 -7.4112 -7.4112 -7.3760 -7.3760 -7.3525 -7.3525 -1.4114 -1.4114 2.1453 2.1453 5.3739 5.3739 5.5600 5.5600 5.8227 5.8227 6.4841 6.4841 7.2670 7.2670 7.6110 7.6110 8.2504 8.2504 9.0657 9.0657 k = 0.0000 0.0000 0.1184 ( 4428 PWs) bands (ev): -7.9821 -7.9821 -7.9294 -7.9294 -7.9116 -7.9116 -7.9082 -7.9082 -7.5173 -7.5173 -7.5099 -7.5099 -7.4461 -7.4461 -7.4104 -7.4104 -7.3752 -7.3752 -7.3532 -7.3532 -1.4334 -1.4334 2.1368 2.1368 5.4414 5.4414 5.5396 5.5396 5.8416 5.8416 6.4770 6.4770 7.2955 7.2955 7.6765 7.6765 8.2609 8.2609 9.0355 9.0355 k = 0.0000 0.0000 0.0987 ( 4424 PWs) bands (ev): -7.9819 -7.9819 -7.9291 -7.9291 -7.9117 -7.9117 -7.9089 -7.9089 -7.5173 -7.5173 -7.5099 -7.5099 -7.4468 -7.4468 -7.4098 -7.4098 -7.3744 -7.3744 -7.3540 -7.3540 -1.4521 -1.4521 2.1291 2.1291 5.4933 5.4933 5.5289 5.5289 5.8582 5.8582 6.4724 6.4724 7.3194 7.3194 7.7342 7.7342 8.2726 8.2726 9.0095 9.0095 k = 0.0000 0.0000 0.0790 ( 4416 PWs) bands (ev): -7.9819 -7.9819 -7.9287 -7.9287 -7.9118 -7.9118 -7.9096 -7.9096 -7.5172 -7.5172 -7.5100 -7.5100 -7.4473 -7.4473 -7.4092 -7.4092 -7.3737 -7.3737 -7.3547 -7.3547 -1.4675 -1.4675 2.1225 2.1225 5.4978 5.4978 5.5588 5.5588 5.8722 5.8722 6.4700 6.4700 7.3387 7.3387 7.7831 7.7831 8.2844 8.2844 8.9879 8.9879 k = 0.0000 0.0000 0.0592 ( 4424 PWs) bands (ev): -7.9819 -7.9819 -7.9285 -7.9285 -7.9119 -7.9119 -7.9102 -7.9102 -7.5172 -7.5172 -7.5101 -7.5101 -7.4478 -7.4478 -7.4088 -7.4088 -7.3731 -7.3731 -7.3553 -7.3553 -1.4794 -1.4794 2.1172 2.1172 5.4878 5.4878 5.5958 5.5958 5.8833 5.8833 6.4692 6.4692 7.3537 7.3537 7.8222 7.8222 8.2952 8.2952 8.9709 8.9709 k = 0.0000 0.0000 0.0395 ( 4431 PWs) bands (ev): -7.9819 -7.9819 -7.9284 -7.9284 -7.9119 -7.9119 -7.9107 -7.9107 -7.5172 -7.5172 -7.5102 -7.5102 -7.4482 -7.4482 -7.4085 -7.4085 -7.3726 -7.3726 -7.3559 -7.3559 -1.4879 -1.4879 2.1132 2.1132 5.4796 5.4796 5.6232 5.6232 5.8914 5.8914 6.4695 6.4695 7.3642 7.3642 7.8507 7.8507 8.3038 8.3038 8.9586 8.9586 k = 0.0000 0.0000 0.0197 ( 4435 PWs) bands (ev): -7.9818 -7.9818 -7.9282 -7.9282 -7.9120 -7.9120 -7.9111 -7.9111 -7.5172 -7.5172 -7.5102 -7.5102 -7.4484 -7.4484 -7.4083 -7.4083 -7.3723 -7.3723 -7.3562 -7.3562 -1.4930 -1.4930 2.1108 2.1108 5.4746 5.4746 5.6398 5.6398 5.8964 5.8964 6.4700 6.4700 7.3705 7.3705 7.8680 7.8680 8.3094 8.3094 8.9512 8.9512 k = 0.0000 0.0000 0.0000 ( 4435 PWs) bands (ev): -7.9818 -7.9818 -7.9282 -7.9282 -7.9119 -7.9119 -7.9112 -7.9112 -7.5172 -7.5172 -7.5102 -7.5102 -7.4485 -7.4485 -7.4083 -7.4083 -7.3722 -7.3722 -7.3563 -7.3563 -1.4947 -1.4947 2.1100 2.1100 5.4729 5.4729 5.6454 5.6454 5.8980 5.8980 6.4702 6.4702 7.3726 7.3726 7.8738 7.8738 8.3114 8.3114 8.9488 8.9488 k = 0.0000 0.0000 0.0000 ( 4435 PWs) bands (ev): -7.9818 -7.9818 -7.9282 -7.9282 -7.9119 -7.9119 -7.9112 -7.9112 -7.5172 -7.5172 -7.5102 -7.5102 -7.4485 -7.4485 -7.4083 -7.4083 -7.3722 -7.3722 -7.3563 -7.3563 -1.4947 -1.4947 2.1100 2.1100 5.4729 5.4729 5.6454 5.6454 5.8980 5.8980 6.4702 6.4702 7.3726 7.3726 7.8738 7.8738 8.3114 8.3114 8.9488 8.9488 k =-0.0179 0.0070 0.0000 ( 4443 PWs) bands (ev): -7.9819 -7.9819 -7.9282 -7.9282 -7.9120 -7.9120 -7.9112 -7.9112 -7.5172 -7.5172 -7.5103 -7.5103 -7.4485 -7.4485 -7.4083 -7.4083 -7.3723 -7.3723 -7.3564 -7.3564 -1.4937 -1.4937 2.1092 2.1092 5.4641 5.4641 5.6566 5.6566 5.8983 5.8983 6.4694 6.4694 7.3692 7.3692 7.8760 7.8760 8.3126 8.3126 8.9464 8.9464 k =-0.0357 0.0139 0.0000 ( 4435 PWs) bands (ev): -7.9818 -7.9818 -7.9282 -7.9282 -7.9119 -7.9119 -7.9112 -7.9112 -7.5172 -7.5172 -7.5102 -7.5102 -7.4485 -7.4485 -7.4082 -7.4082 -7.3723 -7.3723 -7.3563 -7.3563 -1.4907 -1.4907 2.1066 2.1066 5.4428 5.4428 5.6847 5.6847 5.8991 5.8991 6.4669 6.4669 7.3590 7.3590 7.8824 7.8824 8.3162 8.3162 8.9393 8.9393 k =-0.0536 0.0209 0.0000 ( 4431 PWs) bands (ev): -7.9818 -7.9818 -7.9281 -7.9281 -7.9119 -7.9119 -7.9112 -7.9112 -7.5171 -7.5171 -7.5102 -7.5102 -7.4485 -7.4485 -7.4083 -7.4083 -7.3723 -7.3723 -7.3563 -7.3563 -1.4856 -1.4856 2.1024 2.1024 5.4169 5.4169 5.7217 5.7217 5.9005 5.9005 6.4628 6.4628 7.3426 7.3426 7.8931 7.8931 8.3222 8.3222 8.9279 8.9279 k =-0.0714 0.0279 0.0000 ( 4425 PWs) bands (ev): -7.9818 -7.9818 -7.9280 -7.9280 -7.9120 -7.9120 -7.9112 -7.9112 -7.5171 -7.5171 -7.5102 -7.5102 -7.4485 -7.4485 -7.4083 -7.4083 -7.3723 -7.3723 -7.3562 -7.3562 -1.4786 -1.4786 2.0966 2.0966 5.3909 5.3909 5.7624 5.7624 5.9024 5.9024 6.4571 6.4571 7.3208 7.3208 7.9079 7.9079 8.3308 8.3308 8.9129 8.9129 k =-0.0893 0.0349 0.0000 ( 4433 PWs) bands (ev): -7.9818 -7.9818 -7.9280 -7.9280 -7.9121 -7.9121 -7.9113 -7.9113 -7.5172 -7.5172 -7.5103 -7.5103 -7.4485 -7.4485 -7.4083 -7.4083 -7.3723 -7.3723 -7.3562 -7.3562 -1.4697 -1.4697 2.0892 2.0892 5.3669 5.3669 5.8037 5.8037 5.9051 5.9051 6.4499 6.4499 7.2947 7.2947 7.9269 7.9269 8.3418 8.3418 8.8949 8.8949 k =-0.1071 0.0418 0.0000 ( 4431 PWs) bands (ev): -7.9818 -7.9818 -7.9279 -7.9279 -7.9121 -7.9121 -7.9113 -7.9113 -7.5171 -7.5171 -7.5103 -7.5103 -7.4486 -7.4486 -7.4083 -7.4083 -7.3724 -7.3724 -7.3562 -7.3562 -1.4589 -1.4589 2.0803 2.0803 5.3461 5.3461 5.8433 5.8433 5.9089 5.9089 6.4414 6.4414 7.2656 7.2656 7.9499 7.9499 8.3554 8.3554 8.8746 8.8746 k =-0.1250 0.0488 0.0000 ( 4431 PWs) bands (ev): -7.9818 -7.9818 -7.9278 -7.9278 -7.9122 -7.9122 -7.9114 -7.9114 -7.5171 -7.5171 -7.5104 -7.5104 -7.4486 -7.4486 -7.4084 -7.4084 -7.3725 -7.3725 -7.3561 -7.3561 -1.4464 -1.4464 2.0700 2.0700 5.3289 5.3289 5.8777 5.8777 5.9151 5.9151 6.4316 6.4316 7.2350 7.2350 7.9769 7.9769 8.3715 8.3715 8.8526 8.8526 k =-0.1429 0.0558 0.0000 ( 4435 PWs) bands (ev): -7.9818 -7.9818 -7.9278 -7.9278 -7.9123 -7.9123 -7.9114 -7.9114 -7.5171 -7.5171 -7.5104 -7.5104 -7.4487 -7.4487 -7.4084 -7.4084 -7.3725 -7.3725 -7.3561 -7.3561 -1.4324 -1.4324 2.0583 2.0583 5.3159 5.3159 5.9004 5.9004 5.9286 5.9286 6.4207 6.4207 7.2044 7.2044 8.0075 8.0075 8.3901 8.3901 8.8297 8.8297 k =-0.1607 0.0627 0.0000 ( 4447 PWs) bands (ev): -7.9819 -7.9819 -7.9277 -7.9277 -7.9124 -7.9124 -7.9115 -7.9115 -7.5172 -7.5172 -7.5105 -7.5105 -7.4487 -7.4487 -7.4085 -7.4085 -7.3726 -7.3726 -7.3562 -7.3562 -1.4168 -1.4168 2.0455 2.0455 5.3071 5.3071 5.9102 5.9102 5.9488 5.9488 6.4089 6.4089 7.1751 7.1751 8.0417 8.0417 8.4113 8.4113 8.8062 8.8062 k =-0.1786 0.0697 0.0000 ( 4447 PWs) bands (ev): -7.9819 -7.9819 -7.9276 -7.9276 -7.9125 -7.9125 -7.9116 -7.9116 -7.5172 -7.5172 -7.5105 -7.5105 -7.4488 -7.4488 -7.4086 -7.4086 -7.3726 -7.3726 -7.3561 -7.3561 -1.4000 -1.4000 2.0317 2.0317 5.3028 5.3028 5.9162 5.9162 5.9653 5.9653 6.3962 6.3962 7.1483 7.1483 8.0792 8.0792 8.4348 8.4348 8.7826 8.7826 k =-0.1964 0.0767 0.0000 ( 4445 PWs) bands (ev): -7.9819 -7.9819 -7.9275 -7.9275 -7.9126 -7.9126 -7.9117 -7.9117 -7.5172 -7.5172 -7.5106 -7.5106 -7.4488 -7.4488 -7.4086 -7.4086 -7.3727 -7.3727 -7.3561 -7.3561 -1.3820 -1.3820 2.0169 2.0169 5.3030 5.3030 5.9212 5.9212 5.9740 5.9740 6.3829 6.3829 7.1242 7.1242 8.1198 8.1198 8.4607 8.4607 8.7593 8.7593 k =-0.2143 0.0837 0.0000 ( 4451 PWs) bands (ev): -7.9818 -7.9818 -7.9274 -7.9274 -7.9127 -7.9127 -7.9119 -7.9119 -7.5172 -7.5172 -7.5106 -7.5106 -7.4489 -7.4489 -7.4087 -7.4087 -7.3728 -7.3728 -7.3560 -7.3560 -1.3631 -1.3631 2.0014 2.0014 5.3075 5.3075 5.9258 5.9258 5.9740 5.9740 6.3692 6.3692 7.1025 7.1025 8.1631 8.1631 8.4886 8.4886 8.7367 8.7367 k =-0.2321 0.0906 0.0000 ( 4449 PWs) bands (ev): -7.9818 -7.9818 -7.9273 -7.9273 -7.9127 -7.9127 -7.9120 -7.9120 -7.5172 -7.5172 -7.5107 -7.5107 -7.4490 -7.4490 -7.4087 -7.4087 -7.3728 -7.3728 -7.3560 -7.3560 -1.3434 -1.3434 1.9853 1.9853 5.3164 5.3164 5.9296 5.9296 5.9660 5.9660 6.3552 6.3552 7.0821 7.0821 8.2087 8.2087 8.5182 8.5182 8.7150 8.7150 k =-0.2500 0.0976 0.0000 ( 4459 PWs) bands (ev): -7.9818 -7.9818 -7.9272 -7.9272 -7.9129 -7.9129 -7.9121 -7.9121 -7.5172 -7.5172 -7.5107 -7.5107 -7.4491 -7.4491 -7.4088 -7.4088 -7.3729 -7.3729 -7.3561 -7.3561 -1.3232 -1.3232 1.9689 1.9689 5.3295 5.3295 5.9290 5.9290 5.9543 5.9543 6.3410 6.3410 7.0610 7.0610 8.2562 8.2562 8.5488 8.5488 8.6948 8.6948 k =-0.2679 0.1046 0.0000 ( 4455 PWs) bands (ev): -7.9817 -7.9817 -7.9271 -7.9271 -7.9130 -7.9130 -7.9122 -7.9122 -7.5172 -7.5172 -7.5107 -7.5107 -7.4492 -7.4492 -7.4089 -7.4089 -7.3730 -7.3730 -7.3560 -7.3560 -1.3027 -1.3027 1.9523 1.9523 5.3464 5.3464 5.9140 5.9140 5.9504 5.9504 6.3270 6.3270 7.0373 7.0373 8.3051 8.3051 8.5783 8.5783 8.6783 8.6783 k =-0.2857 0.1116 0.0000 ( 4465 PWs) bands (ev): -7.9818 -7.9818 -7.9270 -7.9270 -7.9131 -7.9131 -7.9123 -7.9123 -7.5173 -7.5173 -7.5108 -7.5108 -7.4493 -7.4493 -7.4089 -7.4089 -7.3731 -7.3731 -7.3560 -7.3560 -1.2823 -1.2823 1.9357 1.9357 5.3669 5.3669 5.8873 5.8873 5.9533 5.9533 6.3133 6.3133 7.0091 7.0091 8.3549 8.3549 8.6003 8.6003 8.6725 8.6725 k =-0.3036 0.1185 0.0000 ( 4470 PWs) bands (ev): -7.9818 -7.9818 -7.9269 -7.9269 -7.9132 -7.9132 -7.9124 -7.9124 -7.5173 -7.5173 -7.5109 -7.5109 -7.4494 -7.4494 -7.4090 -7.4090 -7.3732 -7.3732 -7.3560 -7.3560 -1.2620 -1.2620 1.9194 1.9194 5.3906 5.3906 5.8560 5.8560 5.9579 5.9579 6.3000 6.3000 6.9751 6.9751 8.4052 8.4052 8.6035 8.6035 8.6889 8.6889 k =-0.3214 0.1255 0.0000 ( 4470 PWs) bands (ev): -7.9818 -7.9818 -7.9268 -7.9268 -7.9133 -7.9133 -7.9125 -7.9125 -7.5173 -7.5173 -7.5110 -7.5110 -7.4494 -7.4494 -7.4091 -7.4091 -7.3733 -7.3733 -7.3560 -7.3560 -1.2423 -1.2423 1.9035 1.9035 5.4166 5.4166 5.8232 5.8232 5.9629 5.9629 6.2872 6.2872 6.9351 6.9351 8.4554 8.4554 8.5941 8.5941 8.7216 8.7216 k =-0.3393 0.1325 0.0000 ( 4466 PWs) bands (ev): -7.9818 -7.9818 -7.9267 -7.9267 -7.9133 -7.9133 -7.9126 -7.9126 -7.5173 -7.5173 -7.5110 -7.5110 -7.4495 -7.4495 -7.4091 -7.4091 -7.3733 -7.3733 -7.3559 -7.3559 -1.2233 -1.2233 1.8882 1.8882 5.4441 5.4441 5.7913 5.7913 5.9678 5.9678 6.2753 6.2753 6.8893 6.8893 8.5048 8.5048 8.5822 8.5822 8.7602 8.7602 k =-0.3571 0.1394 0.0000 ( 4478 PWs) bands (ev): -7.9818 -7.9818 -7.9266 -7.9266 -7.9135 -7.9135 -7.9127 -7.9127 -7.5173 -7.5173 -7.5111 -7.5111 -7.4496 -7.4496 -7.4092 -7.4092 -7.3734 -7.3734 -7.3559 -7.3559 -1.2054 -1.2054 1.8739 1.8739 5.4716 5.4716 5.7627 5.7627 5.9726 5.9726 6.2642 6.2642 6.8390 6.8390 8.5480 8.5480 8.5757 8.5757 8.8000 8.8000 k =-0.3750 0.1464 0.0000 ( 4486 PWs) bands (ev): -7.9818 -7.9818 -7.9266 -7.9266 -7.9135 -7.9135 -7.9128 -7.9128 -7.5173 -7.5173 -7.5112 -7.5112 -7.4496 -7.4496 -7.4092 -7.4092 -7.3735 -7.3735 -7.3559 -7.3559 -1.1889 -1.1889 1.8607 1.8607 5.4967 5.4967 5.7401 5.7401 5.9771 5.9771 6.2541 6.2541 6.7858 6.7858 8.5520 8.5520 8.6076 8.6076 8.8392 8.8392 k =-0.3929 0.1534 0.0000 ( 4486 PWs) bands (ev): -7.9818 -7.9818 -7.9265 -7.9265 -7.9136 -7.9136 -7.9129 -7.9129 -7.5173 -7.5173 -7.5112 -7.5112 -7.4497 -7.4497 -7.4093 -7.4093 -7.3735 -7.3735 -7.3559 -7.3559 -1.1739 -1.1739 1.8487 1.8487 5.5163 5.5163 5.7267 5.7267 5.9812 5.9812 6.2452 6.2452 6.7316 6.7316 8.5429 8.5429 8.6513 8.6513 8.8766 8.8766 k =-0.4107 0.1604 0.0000 ( 4490 PWs) bands (ev): -7.9818 -7.9818 -7.9264 -7.9264 -7.9136 -7.9136 -7.9130 -7.9130 -7.5174 -7.5174 -7.5112 -7.5112 -7.4497 -7.4497 -7.4094 -7.4094 -7.3736 -7.3736 -7.3559 -7.3559 -1.1608 -1.1608 1.8383 1.8383 5.5275 5.5275 5.7250 5.7250 5.9849 5.9849 6.2374 6.2374 6.6784 6.6784 8.5342 8.5342 8.6920 8.6920 8.9115 8.9115 k =-0.4286 0.1673 0.0000 ( 4486 PWs) bands (ev): -7.9818 -7.9818 -7.9264 -7.9264 -7.9137 -7.9137 -7.9130 -7.9130 -7.5173 -7.5173 -7.5112 -7.5112 -7.4497 -7.4497 -7.4094 -7.4094 -7.3736 -7.3736 -7.3559 -7.3559 -1.1497 -1.1497 1.8294 1.8294 5.5300 5.5300 5.7343 5.7343 5.9879 5.9879 6.2310 6.2310 6.6289 6.6289 8.5268 8.5268 8.7277 8.7277 8.9430 8.9430 k =-0.4464 0.1743 0.0000 ( 4474 PWs) bands (ev): -7.9817 -7.9817 -7.9263 -7.9263 -7.9136 -7.9136 -7.9130 -7.9130 -7.5173 -7.5173 -7.5112 -7.5112 -7.4497 -7.4497 -7.4094 -7.4094 -7.3735 -7.3735 -7.3559 -7.3559 -1.1409 -1.1409 1.8224 1.8224 5.5271 5.5271 5.7500 5.7500 5.9904 5.9904 6.2259 6.2259 6.5856 6.5856 8.5210 8.5210 8.7568 8.7568 8.9697 8.9697 k =-0.4643 0.1813 0.0000 ( 4470 PWs) bands (ev): -7.9817 -7.9817 -7.9263 -7.9263 -7.9136 -7.9136 -7.9131 -7.9131 -7.5173 -7.5173 -7.5111 -7.5111 -7.4497 -7.4497 -7.4094 -7.4094 -7.3735 -7.3735 -7.3558 -7.3558 -1.1345 -1.1345 1.8173 1.8173 5.5224 5.5224 5.7663 5.7663 5.9922 5.9922 6.2223 6.2223 6.5516 6.5516 8.5168 8.5168 8.7784 8.7784 8.9903 8.9903 k =-0.4821 0.1882 0.0000 ( 4474 PWs) bands (ev): -7.9817 -7.9817 -7.9263 -7.9263 -7.9136 -7.9136 -7.9131 -7.9131 -7.5174 -7.5174 -7.5111 -7.5111 -7.4497 -7.4497 -7.4095 -7.4095 -7.3735 -7.3735 -7.3558 -7.3558 -1.1306 -1.1306 1.8142 1.8142 5.5187 5.5187 5.7782 5.7782 5.9933 5.9933 6.2201 6.2201 6.5296 6.5296 8.5142 8.5142 8.7916 8.7916 9.0033 9.0033 k =-0.5000 0.1952 0.0000 ( 4466 PWs) bands (ev): -7.9817 -7.9817 -7.9263 -7.9263 -7.9136 -7.9136 -7.9131 -7.9131 -7.5173 -7.5173 -7.5111 -7.5111 -7.4497 -7.4497 -7.4095 -7.4095 -7.3734 -7.3734 -7.3558 -7.3558 -1.1293 -1.1293 1.8132 1.8132 5.5174 5.5174 5.7826 5.7826 5.9936 5.9936 6.2194 6.2194 6.5220 6.5220 8.5134 8.5134 8.7961 8.7961 9.0078 9.0078 k =-0.5000 0.1952 0.0000 ( 4466 PWs) bands (ev): -7.9817 -7.9817 -7.9263 -7.9263 -7.9136 -7.9136 -7.9131 -7.9131 -7.5173 -7.5173 -7.5111 -7.5111 -7.4497 -7.4497 -7.4095 -7.4095 -7.3734 -7.3734 -7.3558 -7.3558 -1.1293 -1.1293 1.8132 1.8132 5.5174 5.5174 5.7826 5.7826 5.9936 5.9936 6.2194 6.2194 6.5220 6.5220 8.5134 8.5134 8.7961 8.7961 9.0078 9.0078 k =-0.4929 0.2133-0.0000 ( 4462 PWs) bands (ev): -7.9817 -7.9817 -7.9262 -7.9262 -7.9136 -7.9136 -7.9130 -7.9130 -7.5173 -7.5173 -7.5111 -7.5111 -7.4497 -7.4497 -7.4094 -7.4094 -7.3735 -7.3735 -7.3558 -7.3558 -1.1286 -1.1286 1.8151 1.8151 5.5175 5.5175 5.7774 5.7774 5.9981 5.9981 6.2162 6.2162 6.5232 6.5232 8.5174 8.5174 8.7936 8.7936 9.0051 9.0051 k =-0.4859 0.2314-0.0000 ( 4466 PWs) bands (ev): -7.9817 -7.9817 -7.9262 -7.9262 -7.9136 -7.9136 -7.9130 -7.9130 -7.5173 -7.5173 -7.5111 -7.5111 -7.4496 -7.4496 -7.4093 -7.4093 -7.3735 -7.3735 -7.3558 -7.3558 -1.1265 -1.1265 1.8207 1.8207 5.5180 5.5180 5.7630 5.7630 6.0104 6.0104 6.2068 6.2068 6.5268 6.5268 8.5295 8.5295 8.7860 8.7860 8.9971 8.9971 k =-0.4788 0.2495-0.0000 ( 4478 PWs) bands (ev): -7.9817 -7.9817 -7.9262 -7.9262 -7.9136 -7.9136 -7.9130 -7.9130 -7.5173 -7.5173 -7.5112 -7.5112 -7.4496 -7.4496 -7.4092 -7.4092 -7.3736 -7.3736 -7.3559 -7.3559 -1.1231 -1.1231 1.8300 1.8300 5.5187 5.5187 5.7410 5.7410 6.0288 6.0288 6.1915 6.1915 6.5326 6.5326 8.5492 8.5492 8.7735 8.7735 8.9839 8.9839 k =-0.4717 0.2676-0.0000 ( 4476 PWs) bands (ev): -7.9817 -7.9817 -7.9261 -7.9261 -7.9136 -7.9136 -7.9128 -7.9128 -7.5172 -7.5172 -7.5112 -7.5112 -7.4496 -7.4496 -7.4091 -7.4091 -7.3736 -7.3736 -7.3559 -7.3559 -1.1183 -1.1183 1.8429 1.8429 5.5198 5.5198 5.7131 5.7131 6.0517 6.0517 6.1707 6.1707 6.5404 6.5404 8.5759 8.5759 8.7561 8.7561 8.9653 8.9653 k =-0.4647 0.2857-0.0000 ( 4472 PWs) bands (ev): -7.9817 -7.9817 -7.9260 -7.9260 -7.9135 -7.9135 -7.9127 -7.9127 -7.5172 -7.5172 -7.5112 -7.5112 -7.4494 -7.4494 -7.4089 -7.4089 -7.3736 -7.3736 -7.3559 -7.3559 -1.1122 -1.1122 1.8596 1.8596 5.5213 5.5213 5.6803 5.6803 6.0780 6.0780 6.1450 6.1450 6.5500 6.5500 8.6084 8.6084 8.7338 8.7338 8.9394 8.9394 k =-0.4576 0.3038-0.0000 ( 4470 PWs) bands (ev): -7.9817 -7.9817 -7.9259 -7.9259 -7.9135 -7.9135 -7.9126 -7.9126 -7.5171 -7.5171 -7.5112 -7.5112 -7.4493 -7.4493 -7.4087 -7.4087 -7.3736 -7.3736 -7.3559 -7.3559 -1.1048 -1.1048 1.8798 1.8798 5.5229 5.5229 5.6435 5.6435 6.1061 6.1061 6.1160 6.1160 6.5609 6.5609 8.6448 8.6448 8.7061 8.7061 8.8912 8.8912 k =-0.4506 0.3218-0.0000 ( 4472 PWs) bands (ev): -7.9816 -7.9816 -7.9258 -7.9258 -7.9134 -7.9134 -7.9124 -7.9124 -7.5170 -7.5170 -7.5112 -7.5112 -7.4492 -7.4492 -7.4085 -7.4085 -7.3736 -7.3736 -7.3560 -7.3560 -1.0962 -1.0962 1.9036 1.9036 5.5239 5.5239 5.6037 5.6037 6.0810 6.0810 6.1393 6.1393 6.5726 6.5726 8.6680 8.6680 8.6823 8.6823 8.8094 8.8094 k =-0.4435 0.3399-0.0000 ( 4472 PWs) bands (ev): -7.9816 -7.9816 -7.9257 -7.9257 -7.9133 -7.9133 -7.9123 -7.9123 -7.5169 -7.5169 -7.5113 -7.5113 -7.4490 -7.4490 -7.4082 -7.4082 -7.3737 -7.3737 -7.3560 -7.3560 -1.0864 -1.0864 1.9309 1.9309 5.5194 5.5194 5.5660 5.5660 6.0445 6.0445 6.1734 6.1734 6.5842 6.5842 8.6170 8.6170 8.6767 8.6767 8.7648 8.7648 k =-0.4364 0.3580-0.0000 ( 4472 PWs) bands (ev): -7.9816 -7.9816 -7.9256 -7.9256 -7.9132 -7.9132 -7.9121 -7.9121 -7.5168 -7.5168 -7.5113 -7.5113 -7.4488 -7.4488 -7.4079 -7.4079 -7.3737 -7.3737 -7.3561 -7.3561 -1.0755 -1.0755 1.9616 1.9616 5.4904 5.4904 5.5497 5.5497 6.0057 6.0057 6.2100 6.2100 6.5948 6.5948 8.5325 8.5325 8.6226 8.6226 8.7905 8.7905 k =-0.4294 0.3761-0.0000 ( 4476 PWs) bands (ev): -7.9816 -7.9816 -7.9255 -7.9255 -7.9131 -7.9131 -7.9119 -7.9119 -7.5168 -7.5168 -7.5113 -7.5113 -7.4485 -7.4485 -7.4077 -7.4077 -7.3737 -7.3737 -7.3562 -7.3562 -1.0636 -1.0636 1.9957 1.9957 5.4407 5.4407 5.5511 5.5511 5.9652 5.9652 6.2490 6.2490 6.6031 6.6031 8.4308 8.4308 8.5703 8.5703 8.8110 8.8110 k =-0.4223 0.3942-0.0000 ( 4474 PWs) bands (ev): -7.9815 -7.9815 -7.9253 -7.9253 -7.9129 -7.9129 -7.9118 -7.9118 -7.5167 -7.5167 -7.5113 -7.5113 -7.4483 -7.4483 -7.4074 -7.4074 -7.3737 -7.3737 -7.3562 -7.3562 -1.0507 -1.0507 2.0329 2.0329 5.3835 5.3835 5.5572 5.5572 5.9237 5.9237 6.2905 6.2905 6.6077 6.6077 8.3290 8.3290 8.5168 8.5168 8.8112 8.8112 k =-0.4152 0.4123-0.0000 ( 4466 PWs) bands (ev): -7.9814 -7.9814 -7.9252 -7.9252 -7.9127 -7.9127 -7.9115 -7.9115 -7.5165 -7.5165 -7.5113 -7.5113 -7.4480 -7.4480 -7.4070 -7.4070 -7.3736 -7.3736 -7.3563 -7.3563 -1.0369 -1.0369 2.0733 2.0733 5.3215 5.3215 5.5657 5.5657 5.8817 5.8817 6.3345 6.3345 6.6065 6.6065 8.2341 8.2341 8.4603 8.4603 8.8067 8.8067 k =-0.4082 0.4304-0.0000 ( 4462 PWs) bands (ev): -7.9814 -7.9814 -7.9251 -7.9251 -7.9125 -7.9125 -7.9113 -7.9113 -7.5164 -7.5164 -7.5113 -7.5113 -7.4476 -7.4476 -7.4067 -7.4067 -7.3736 -7.3736 -7.3564 -7.3564 -1.0224 -1.0224 2.1168 2.1168 5.2555 5.2555 5.5761 5.5761 5.8398 5.8398 6.3808 6.3808 6.5975 6.5975 8.1500 8.1500 8.4011 8.4011 8.8043 8.8043 k =-0.4011 0.4485-0.0000 ( 4462 PWs) bands (ev): -7.9813 -7.9813 -7.9249 -7.9249 -7.9123 -7.9123 -7.9111 -7.9111 -7.5163 -7.5163 -7.5114 -7.5114 -7.4473 -7.4473 -7.4063 -7.4063 -7.3736 -7.3736 -7.3565 -7.3565 -1.0072 -1.0072 2.1631 2.1631 5.1859 5.1859 5.5884 5.5884 5.7983 5.7983 6.4296 6.4296 6.5786 6.5786 8.0797 8.0797 8.3400 8.3400 8.8054 8.8054 k =-0.3941 0.4666-0.0000 ( 4454 PWs) bands (ev): -7.9813 -7.9813 -7.9247 -7.9247 -7.9121 -7.9121 -7.9108 -7.9108 -7.5161 -7.5161 -7.5114 -7.5114 -7.4470 -7.4470 -7.4059 -7.4059 -7.3735 -7.3735 -7.3565 -7.3565 -0.9914 -0.9914 2.2121 2.2121 5.1131 5.1131 5.6024 5.6024 5.7577 5.7577 6.4807 6.4807 6.5481 6.5481 8.0253 8.0253 8.2776 8.2776 8.8097 8.8097 k =-0.3870 0.4847-0.0000 ( 4450 PWs) bands (ev): -7.9813 -7.9813 -7.9246 -7.9246 -7.9119 -7.9119 -7.9106 -7.9106 -7.5160 -7.5160 -7.5114 -7.5114 -7.4467 -7.4467 -7.4054 -7.4054 -7.3736 -7.3736 -7.3566 -7.3566 -0.9751 -0.9751 2.2637 2.2637 5.0376 5.0376 5.6181 5.6181 5.7188 5.7188 6.5046 6.5046 6.5344 6.5344 7.9882 7.9882 8.2150 8.2150 8.8162 8.8162 k =-0.3799 0.5028-0.0000 ( 4448 PWs) bands (ev): -7.9812 -7.9812 -7.9244 -7.9244 -7.9116 -7.9116 -7.9103 -7.9103 -7.5158 -7.5158 -7.5114 -7.5114 -7.4464 -7.4464 -7.4050 -7.4050 -7.3735 -7.3735 -7.3567 -7.3567 -0.9585 -0.9585 2.3178 2.3178 4.9597 4.9597 5.6338 5.6338 5.6834 5.6834 6.4488 6.4488 6.5900 6.5900 7.9681 7.9681 8.1530 8.1530 8.8226 8.8226 k =-0.3729 0.5208-0.0000 ( 4452 PWs) bands (ev): -7.9812 -7.9812 -7.9243 -7.9243 -7.9114 -7.9114 -7.9101 -7.9101 -7.5158 -7.5158 -7.5115 -7.5115 -7.4461 -7.4461 -7.4045 -7.4045 -7.3735 -7.3735 -7.3568 -7.3568 -0.9417 -0.9417 2.3741 2.3741 4.8799 4.8799 5.6326 5.6326 5.6687 5.6687 6.3809 6.3809 6.6478 6.6478 7.9632 7.9632 8.0931 8.0931 8.8250 8.8250 k =-0.3658 0.5389-0.0000 ( 4456 PWs) bands (ev): -7.9812 -7.9812 -7.9242 -7.9242 -7.9112 -7.9112 -7.9099 -7.9099 -7.5157 -7.5157 -7.5115 -7.5115 -7.4458 -7.4458 -7.4042 -7.4042 -7.3735 -7.3735 -7.3569 -7.3569 -0.9247 -0.9247 2.4324 2.4324 4.7988 4.7988 5.6036 5.6036 5.6861 5.6861 6.3029 6.3029 6.7076 6.7076 7.9668 7.9668 8.0403 8.0403 8.8187 8.8187 k =-0.3587 0.5570-0.0000 ( 4456 PWs) bands (ev): -7.9811 -7.9811 -7.9241 -7.9241 -7.9110 -7.9110 -7.9097 -7.9097 -7.5155 -7.5155 -7.5115 -7.5115 -7.4455 -7.4455 -7.4038 -7.4038 -7.3735 -7.3735 -7.3570 -7.3570 -0.9079 -0.9079 2.4925 2.4925 4.7168 4.7168 5.5723 5.5723 5.7103 5.7103 6.2169 6.2169 6.7693 6.7693 7.9490 7.9490 8.0226 8.0226 8.8028 8.8028 k =-0.3517 0.5751-0.0000 ( 4458 PWs) bands (ev): -7.9810 -7.9810 -7.9240 -7.9240 -7.9107 -7.9107 -7.9095 -7.9095 -7.5155 -7.5155 -7.5115 -7.5115 -7.4451 -7.4451 -7.4034 -7.4034 -7.3734 -7.3734 -7.3571 -7.3571 -0.8912 -0.8912 2.5542 2.5542 4.6343 4.6343 5.5426 5.5426 5.7375 5.7375 6.1249 6.1249 6.8328 6.8328 7.9007 7.9007 8.0466 8.0466 8.7817 8.7817 k =-0.3446 0.5932-0.0000 ( 4448 PWs) bands (ev): -7.9810 -7.9810 -7.9239 -7.9239 -7.9105 -7.9105 -7.9093 -7.9093 -7.5153 -7.5153 -7.5115 -7.5115 -7.4448 -7.4448 -7.4030 -7.4030 -7.3734 -7.3734 -7.3572 -7.3572 -0.8748 -0.8748 2.6171 2.6171 4.5518 4.5518 5.5152 5.5152 5.7673 5.7673 6.0288 6.0288 6.8979 6.8979 7.8480 7.8480 8.0833 8.0833 8.7607 8.7607 k =-0.3376 0.6113-0.0000 ( 4444 PWs) bands (ev): -7.9809 -7.9809 -7.9238 -7.9238 -7.9103 -7.9103 -7.9090 -7.9090 -7.5152 -7.5152 -7.5115 -7.5115 -7.4445 -7.4445 -7.4026 -7.4026 -7.3733 -7.3733 -7.3573 -7.3573 -0.8590 -0.8590 2.6809 2.6809 4.4699 4.4699 5.4903 5.4903 5.7990 5.7990 5.9309 5.9309 6.9643 6.9643 7.7964 7.7964 8.1241 8.1241 8.7443 8.7443 k =-0.3305 0.6294-0.0000 ( 4440 PWs) bands (ev): -7.9809 -7.9809 -7.9237 -7.9237 -7.9100 -7.9100 -7.9087 -7.9087 -7.5151 -7.5151 -7.5115 -7.5115 -7.4441 -7.4441 -7.4022 -7.4022 -7.3733 -7.3733 -7.3574 -7.3574 -0.8438 -0.8438 2.7453 2.7453 4.3890 4.3890 5.4682 5.4682 5.8191 5.8191 5.8462 5.8462 7.0320 7.0320 7.7470 7.7470 8.1640 8.1640 8.7362 8.7362 k =-0.3234 0.6475-0.0000 ( 4444 PWs) bands (ev): -7.9809 -7.9809 -7.9236 -7.9236 -7.9099 -7.9099 -7.9085 -7.9085 -7.5150 -7.5150 -7.5116 -7.5116 -7.4439 -7.4439 -7.4018 -7.4018 -7.3733 -7.3733 -7.3575 -7.3575 -0.8294 -0.8294 2.8099 2.8099 4.3095 4.3095 5.4490 5.4490 5.7297 5.7297 5.8737 5.8737 7.1007 7.1007 7.7004 7.7004 8.1988 8.1988 8.7396 8.7396 k =-0.3164 0.6656-0.0000 ( 4438 PWs) bands (ev): -7.9809 -7.9809 -7.9235 -7.9235 -7.9097 -7.9097 -7.9082 -7.9082 -7.5148 -7.5148 -7.5116 -7.5116 -7.4436 -7.4436 -7.4015 -7.4015 -7.3732 -7.3732 -7.3575 -7.3575 -0.8159 -0.8159 2.8740 2.8740 4.2319 4.2319 5.4327 5.4327 5.6327 5.6327 5.9127 5.9127 7.1701 7.1701 7.6569 7.6569 8.2249 8.2249 8.7570 8.7570 k =-0.3093 0.6837-0.0000 ( 4442 PWs) bands (ev): -7.9809 -7.9809 -7.9235 -7.9235 -7.9095 -7.9095 -7.9080 -7.9080 -7.5148 -7.5148 -7.5117 -7.5117 -7.4434 -7.4434 -7.4012 -7.4012 -7.3732 -7.3732 -7.3577 -7.3577 -0.8036 -0.8036 2.9373 2.9373 4.1567 4.1567 5.4194 5.4194 5.5380 5.5380 5.9543 5.9543 7.2401 7.2401 7.6166 7.6166 8.2405 8.2405 8.7874 8.7874 k =-0.3022 0.7017-0.0000 ( 4442 PWs) bands (ev): -7.9809 -7.9809 -7.9235 -7.9235 -7.9094 -7.9094 -7.9077 -7.9077 -7.5147 -7.5147 -7.5117 -7.5117 -7.4432 -7.4432 -7.4009 -7.4009 -7.3732 -7.3732 -7.3578 -7.3578 -0.7926 -0.7926 2.9989 2.9989 4.0843 4.0843 5.4082 5.4082 5.4479 5.4479 5.9981 5.9981 7.3103 7.3103 7.5799 7.5799 8.2462 8.2462 8.8182 8.8182 k =-0.2952 0.7198-0.0000 ( 4444 PWs) bands (ev): -7.9809 -7.9809 -7.9235 -7.9235 -7.9093 -7.9093 -7.9075 -7.9075 -7.5146 -7.5146 -7.5117 -7.5117 -7.4430 -7.4430 -7.4007 -7.4007 -7.3731 -7.3731 -7.3579 -7.3579 -0.7831 -0.7831 3.0581 3.0581 4.0150 4.0150 5.3575 5.3575 5.4051 5.4051 6.0439 6.0439 7.3802 7.3802 7.5471 7.5471 8.2440 8.2440 8.7943 8.7943 k =-0.2881 0.7379-0.0000 ( 4448 PWs) bands (ev): -7.9809 -7.9809 -7.9235 -7.9235 -7.9091 -7.9091 -7.9074 -7.9074 -7.5146 -7.5146 -7.5117 -7.5117 -7.4427 -7.4427 -7.4005 -7.4005 -7.3731 -7.3731 -7.3580 -7.3580 -0.7751 -0.7751 3.1141 3.1141 3.9493 3.9493 5.2774 5.2774 5.4007 5.4007 6.0917 6.0917 7.4478 7.4478 7.5201 7.5201 8.2364 8.2364 8.7370 8.7370 k =-0.2881 0.7379-0.0000 ( 4448 PWs) bands (ev): -7.9809 -7.9809 -7.9235 -7.9235 -7.9091 -7.9091 -7.9074 -7.9074 -7.5146 -7.5146 -7.5117 -7.5117 -7.4427 -7.4427 -7.4005 -7.4005 -7.3731 -7.3731 -7.3580 -7.3580 -0.7751 -0.7751 3.1141 3.1141 3.9493 3.9493 5.2774 5.2774 5.4007 5.4007 6.0917 6.0917 7.4478 7.4478 7.5201 7.5201 8.2364 8.2364 8.7370 8.7370 k =-0.2881 0.7379 0.0197 ( 4444 PWs) bands (ev): -7.9809 -7.9809 -7.9235 -7.9235 -7.9091 -7.9091 -7.9073 -7.9073 -7.5145 -7.5145 -7.5117 -7.5117 -7.4427 -7.4427 -7.4006 -7.4006 -7.3732 -7.3732 -7.3578 -7.3578 -0.7740 -0.7740 3.1109 3.1109 3.9510 3.9510 5.2723 5.2723 5.4068 5.4068 6.0905 6.0905 7.4104 7.4104 7.5580 7.5580 8.2205 8.2205 8.7505 8.7505 k =-0.2881 0.7379 0.0395 ( 4439 PWs) bands (ev): -7.9809 -7.9809 -7.9236 -7.9236 -7.9090 -7.9090 -7.9072 -7.9072 -7.5145 -7.5145 -7.5116 -7.5116 -7.4426 -7.4426 -7.4009 -7.4009 -7.3735 -7.3735 -7.3573 -7.3573 -0.7707 -0.7707 3.1016 3.1016 3.9564 3.9564 5.2598 5.2598 5.4223 5.4223 6.0871 6.0871 7.3518 7.3518 7.6183 7.6183 8.1777 8.1777 8.7855 8.7855 k =-0.2881 0.7379 0.0592 ( 4437 PWs) bands (ev): -7.9809 -7.9809 -7.9239 -7.9239 -7.9088 -7.9088 -7.9070 -7.9070 -7.5145 -7.5145 -7.5115 -7.5115 -7.4424 -7.4424 -7.4015 -7.4015 -7.3739 -7.3739 -7.3566 -7.3566 -0.7651 -0.7651 3.0860 3.0860 3.9652 3.9652 5.2444 5.2444 5.4427 5.4427 6.0814 6.0814 7.2918 7.2918 7.6807 7.6807 8.1177 8.1177 8.8305 8.8305 k =-0.2881 0.7379 0.0790 ( 4439 PWs) bands (ev): -7.9808 -7.9808 -7.9242 -7.9242 -7.9086 -7.9086 -7.9067 -7.9067 -7.5145 -7.5145 -7.5114 -7.5114 -7.4421 -7.4421 -7.4023 -7.4023 -7.3744 -7.3744 -7.3557 -7.3557 -0.7573 -0.7573 3.0642 3.0642 3.9774 3.9774 5.2293 5.2293 5.4647 5.4647 6.0735 6.0735 7.2327 7.2327 7.7416 7.7416 8.0492 8.0492 8.8756 8.8756 k =-0.2881 0.7379 0.0987 ( 4444 PWs) bands (ev): -7.9808 -7.9808 -7.9247 -7.9247 -7.9084 -7.9084 -7.9063 -7.9063 -7.5145 -7.5145 -7.5112 -7.5112 -7.4417 -7.4417 -7.4034 -7.4034 -7.3750 -7.3750 -7.3547 -7.3547 -0.7473 -0.7473 3.0362 3.0362 3.9929 3.9929 5.2163 5.2163 5.4869 5.4869 6.0636 6.0636 7.1753 7.1753 7.7955 7.7955 7.9813 7.9813 8.9163 8.9163 k =-0.2881 0.7379 0.1184 ( 4444 PWs) bands (ev): -7.9807 -7.9807 -7.9251 -7.9251 -7.9082 -7.9082 -7.9058 -7.9058 -7.5145 -7.5145 -7.5110 -7.5110 -7.4413 -7.4413 -7.4045 -7.4045 -7.3756 -7.3756 -7.3537 -7.3537 -0.7351 -0.7351 3.0020 3.0020 4.0115 4.0115 5.2063 5.2063 5.5081 5.5081 6.0519 6.0519 7.1199 7.1199 7.8165 7.8165 7.9421 7.9421 8.9532 8.9532 k =-0.2881 0.7379 0.1382 ( 4450 PWs) bands (ev): -7.9806 -7.9806 -7.9257 -7.9257 -7.9081 -7.9081 -7.9052 -7.9052 -7.5145 -7.5145 -7.5108 -7.5108 -7.4409 -7.4409 -7.4059 -7.4059 -7.3761 -7.3761 -7.3526 -7.3526 -0.7207 -0.7207 2.9619 2.9619 4.0330 4.0330 5.1998 5.1998 5.5281 5.5281 6.0385 6.0385 7.0668 7.0668 7.7688 7.7688 7.9686 7.9686 8.9892 8.9892 k =-0.2881 0.7379 0.1579 ( 4452 PWs) bands (ev): -7.9805 -7.9805 -7.9263 -7.9263 -7.9079 -7.9079 -7.9046 -7.9046 -7.5144 -7.5144 -7.5105 -7.5105 -7.4403 -7.4403 -7.4074 -7.4074 -7.3766 -7.3766 -7.3515 -7.3515 -0.7040 -0.7040 2.9160 2.9160 4.0572 4.0572 5.1968 5.1968 5.5468 5.5468 6.0238 6.0238 7.0161 7.0161 7.6937 7.6937 8.0203 8.0203 9.0263 9.0263 k =-0.2881 0.7379 0.1777 ( 4462 PWs) bands (ev): -7.9804 -7.9804 -7.9269 -7.9269 -7.9078 -7.9078 -7.9039 -7.9039 -7.5144 -7.5144 -7.5103 -7.5103 -7.4398 -7.4398 -7.4089 -7.4089 -7.3771 -7.3771 -7.3505 -7.3505 -0.6852 -0.6852 2.8647 2.8647 4.0838 4.0838 5.1970 5.1970 5.5644 5.5644 6.0080 6.0080 6.9681 6.9681 7.6128 7.6128 8.0758 8.0758 9.0658 9.0658 k =-0.2881 0.7379 0.1974 ( 4464 PWs) bands (ev): -7.9802 -7.9802 -7.9275 -7.9275 -7.9077 -7.9077 -7.9031 -7.9031 -7.5143 -7.5143 -7.5100 -7.5100 -7.4391 -7.4391 -7.4106 -7.4106 -7.3775 -7.3775 -7.3496 -7.3496 -0.6642 -0.6642 2.8081 2.8081 4.1125 4.1125 5.1997 5.1997 5.5817 5.5817 5.9917 5.9917 6.9227 6.9227 7.5306 7.5306 8.1312 8.1312 9.1083 9.1083 k =-0.2881 0.7379 0.2171 ( 4456 PWs) bands (ev): -7.9800 -7.9800 -7.9281 -7.9281 -7.9075 -7.9075 -7.9024 -7.9024 -7.5142 -7.5142 -7.5097 -7.5097 -7.4384 -7.4384 -7.4122 -7.4122 -7.3778 -7.3778 -7.3487 -7.3487 -0.6410 -0.6410 2.7468 2.7468 4.1428 4.1428 5.2039 5.2039 5.5994 5.5994 5.9751 5.9751 6.8801 6.8801 7.4484 7.4484 8.1852 8.1852 9.1542 9.1542 k =-0.2881 0.7379 0.2369 ( 4460 PWs) bands (ev): -7.9797 -7.9797 -7.9288 -7.9288 -7.9073 -7.9073 -7.9016 -7.9016 -7.5142 -7.5142 -7.5093 -7.5093 -7.4378 -7.4378 -7.4138 -7.4138 -7.3781 -7.3781 -7.3479 -7.3479 -0.6157 -0.6157 2.6812 2.6812 4.1744 4.1744 5.2083 5.2083 5.6187 5.6187 5.9587 5.9587 6.8402 6.8402 7.3669 7.3669 8.2377 8.2377 9.2036 9.2036 k =-0.2881 0.7379 0.2566 ( 4464 PWs) bands (ev): -7.9795 -7.9795 -7.9295 -7.9295 -7.9071 -7.9071 -7.9009 -7.9009 -7.5142 -7.5142 -7.5090 -7.5090 -7.4370 -7.4370 -7.4154 -7.4154 -7.3784 -7.3784 -7.3473 -7.3473 -0.5883 -0.5883 2.6117 2.6117 4.2069 4.2069 5.2116 5.2116 5.6409 5.6409 5.9431 5.9431 6.8031 6.8031 7.2867 7.2867 8.2884 8.2884 9.2564 9.2564 k =-0.2881 0.7379 0.2764 ( 4466 PWs) bands (ev): -7.9791 -7.9791 -7.9303 -7.9303 -7.9069 -7.9069 -7.9002 -7.9002 -7.5141 -7.5141 -7.5086 -7.5086 -7.4364 -7.4364 -7.4169 -7.4169 -7.3786 -7.3786 -7.3468 -7.3468 -0.5587 -0.5587 2.5388 2.5388 4.2398 4.2398 5.2125 5.2125 5.6671 5.6671 5.9287 5.9287 6.7689 6.7689 7.2079 7.2079 8.3377 8.3377 9.3126 9.3126 k =-0.2881 0.7379 0.2961 ( 4466 PWs) bands (ev): -7.9787 -7.9787 -7.9310 -7.9310 -7.9067 -7.9067 -7.8995 -7.8995 -7.5141 -7.5141 -7.5082 -7.5082 -7.4356 -7.4356 -7.4182 -7.4182 -7.3788 -7.3788 -7.3463 -7.3463 -0.5270 -0.5270 2.4630 2.4630 4.2725 4.2725 5.2098 5.2098 5.6981 5.6981 5.9160 5.9160 6.7376 6.7376 7.1310 7.1310 8.3857 8.3857 9.3721 9.3721 k =-0.2881 0.7379 0.3159 ( 4472 PWs) bands (ev): -7.9782 -7.9782 -7.9318 -7.9318 -7.9065 -7.9065 -7.8988 -7.8988 -7.5142 -7.5142 -7.5078 -7.5078 -7.4350 -7.4350 -7.4195 -7.4195 -7.3789 -7.3789 -7.3461 -7.3461 -0.4932 -0.4932 2.3846 2.3846 4.3048 4.3048 5.2029 5.2029 5.7341 5.7341 5.9056 5.9056 6.7093 6.7093 7.0560 7.0560 8.4328 8.4328 9.4348 9.4348 k =-0.2881 0.7379 0.3356 ( 4470 PWs) bands (ev): -7.9777 -7.9777 -7.9326 -7.9326 -7.9063 -7.9063 -7.8982 -7.8982 -7.5142 -7.5142 -7.5074 -7.5074 -7.4345 -7.4345 -7.4204 -7.4204 -7.3790 -7.3790 -7.3459 -7.3459 -0.4573 -0.4573 2.3042 2.3042 4.3360 4.3360 5.1917 5.1917 5.7746 5.7746 5.8983 5.8983 6.6841 6.6841 6.9833 6.9833 8.4795 8.4795 9.5005 9.5005 k =-0.2881 0.7379 0.3553 ( 4462 PWs) bands (ev): -7.9770 -7.9770 -7.9335 -7.9335 -7.9060 -7.9060 -7.8976 -7.8976 -7.5142 -7.5142 -7.5070 -7.5070 -7.4340 -7.4340 -7.4212 -7.4212 -7.3790 -7.3790 -7.3459 -7.3459 -0.4194 -0.4194 2.2221 2.2221 4.3658 4.3658 5.1764 5.1764 5.8172 5.8172 5.8963 5.8963 6.6623 6.6623 6.9130 6.9130 8.5262 8.5262 9.5690 9.5690 k =-0.2881 0.7379 0.3751 ( 4466 PWs) bands (ev): -7.9764 -7.9764 -7.9344 -7.9344 -7.9057 -7.9057 -7.8971 -7.8971 -7.5142 -7.5142 -7.5067 -7.5067 -7.4337 -7.4337 -7.4217 -7.4217 -7.3790 -7.3790 -7.3460 -7.3460 -0.3794 -0.3794 2.1386 2.1386 4.3938 4.3938 5.1575 5.1575 5.8525 5.8525 5.9080 5.9080 6.6441 6.6441 6.8455 6.8455 8.5732 8.5732 9.6399 9.6399 k =-0.2881 0.7379 0.3948 ( 4464 PWs) bands (ev): -7.9757 -7.9757 -7.9353 -7.9353 -7.9054 -7.9054 -7.8967 -7.8967 -7.5143 -7.5143 -7.5064 -7.5064 -7.4335 -7.4335 -7.4219 -7.4219 -7.3789 -7.3789 -7.3462 -7.3462 -0.3374 -0.3374 2.0541 2.0541 4.4199 4.4199 5.1354 5.1354 5.8671 5.8671 5.9460 5.9460 6.6295 6.6295 6.7809 6.7809 8.6210 8.6210 9.7129 9.7129 k =-0.2881 0.7379 0.4146 ( 4469 PWs) bands (ev): -7.9749 -7.9749 -7.9363 -7.9363 -7.9051 -7.9051 -7.8963 -7.8963 -7.5143 -7.5143 -7.5062 -7.5062 -7.4334 -7.4334 -7.4220 -7.4220 -7.3788 -7.3788 -7.3466 -7.3466 -0.2934 -0.2934 1.9689 1.9689 4.4437 4.4437 5.1107 5.1107 5.8722 5.8722 5.9977 5.9977 6.6188 6.6188 6.7198 6.7198 8.6698 8.6698 9.7872 9.7872 k =-0.2881 0.7379 0.4343 ( 4472 PWs) bands (ev): -7.9741 -7.9741 -7.9373 -7.9373 -7.9048 -7.9048 -7.8960 -7.8960 -7.5143 -7.5143 -7.5060 -7.5060 -7.4333 -7.4333 -7.4219 -7.4219 -7.3786 -7.3786 -7.3471 -7.3471 -0.2475 -0.2475 1.8833 1.8833 4.4654 4.4654 5.0840 5.0840 5.8764 5.8764 6.0530 6.0530 6.6119 6.6119 6.6630 6.6630 8.7198 8.7198 9.8615 9.8615 k =-0.2881 0.7379 0.4540 ( 4465 PWs) bands (ev): -7.9732 -7.9732 -7.9383 -7.9383 -7.9044 -7.9044 -7.8957 -7.8957 -7.5143 -7.5143 -7.5059 -7.5059 -7.4332 -7.4332 -7.4216 -7.4216 -7.3783 -7.3783 -7.3477 -7.3477 -0.1996 -0.1996 1.7974 1.7974 4.4849 4.4849 5.0558 5.0558 5.8812 5.8812 6.1081 6.1081 6.6039 6.6039 6.6164 6.6164 8.7714 8.7714 9.9330 9.9330 k =-0.2881 0.7379 0.4738 ( 4463 PWs) bands (ev): -7.9722 -7.9722 -7.9393 -7.9393 -7.9040 -7.9040 -7.8955 -7.8955 -7.5143 -7.5143 -7.5059 -7.5059 -7.4330 -7.4330 -7.4213 -7.4213 -7.3780 -7.3780 -7.3484 -7.3484 -0.1497 -0.1497 1.7116 1.7116 4.5023 4.5023 5.0266 5.0266 5.8868 5.8868 6.1600 6.1600 6.5632 6.5632 6.6131 6.6131 8.8245 8.8245 9.9961 9.9961 k =-0.2881 0.7379 0.4935 ( 4465 PWs) bands (ev): -7.9712 -7.9712 -7.9404 -7.9404 -7.9036 -7.9036 -7.8953 -7.8953 -7.5143 -7.5143 -7.5060 -7.5060 -7.4327 -7.4327 -7.4210 -7.4210 -7.3775 -7.3775 -7.3493 -7.3493 -0.0980 -0.0980 1.6259 1.6259 4.5181 4.5181 4.9967 4.9967 5.8930 5.8930 6.2046 6.2046 6.5274 6.5274 6.6187 6.6187 8.8793 8.8793 10.0407 10.0407 k =-0.2881 0.7379 0.5133 ( 4473 PWs) bands (ev): -7.9701 -7.9701 -7.9416 -7.9416 -7.9033 -7.9033 -7.8953 -7.8953 -7.5142 -7.5142 -7.5062 -7.5062 -7.4324 -7.4324 -7.4208 -7.4208 -7.3771 -7.3771 -7.3503 -7.3503 -0.0443 -0.0443 1.5407 1.5407 4.5323 4.5323 4.9665 4.9665 5.8996 5.8996 6.2357 6.2357 6.5064 6.5064 6.6282 6.6282 8.9357 8.9357 10.0588 10.0588 k =-0.2881 0.7379 0.5330 ( 4469 PWs) bands (ev): -7.9690 -7.9690 -7.9427 -7.9427 -7.9028 -7.9028 -7.8952 -7.8952 -7.5141 -7.5141 -7.5064 -7.5064 -7.4320 -7.4320 -7.4205 -7.4205 -7.3764 -7.3764 -7.3513 -7.3513 0.0112 0.0112 1.4560 1.4560 4.5454 4.5454 4.9365 4.9365 5.9066 5.9066 6.2468 6.2468 6.5059 6.5059 6.6410 6.6410 8.9938 8.9938 10.0544 10.0544 k =-0.2881 0.7379 0.5527 ( 4467 PWs) bands (ev): -7.9678 -7.9678 -7.9439 -7.9439 -7.9024 -7.9024 -7.8952 -7.8952 -7.5140 -7.5140 -7.5067 -7.5067 -7.4314 -7.4314 -7.4204 -7.4204 -7.3757 -7.3757 -7.3525 -7.3525 0.0685 0.0685 1.3719 1.3719 4.5577 4.5577 4.9067 4.9067 5.9138 5.9138 6.2382 6.2382 6.5250 6.5250 6.6563 6.6563 9.0534 9.0534 10.0357 10.0357 k =-0.2881 0.7379 0.5725 ( 4469 PWs) bands (ev): -7.9666 -7.9666 -7.9452 -7.9452 -7.9020 -7.9020 -7.8953 -7.8953 -7.5138 -7.5138 -7.5071 -7.5071 -7.4308 -7.4308 -7.4204 -7.4204 -7.3749 -7.3749 -7.3537 -7.3537 0.1276 0.1276 1.2887 1.2887 4.5696 4.5696 4.8776 4.8776 5.9214 5.9214 6.2171 6.2171 6.5557 6.5557 6.6735 6.6735 9.1143 9.1143 10.0078 10.0078 k =-0.2881 0.7379 0.5922 ( 4467 PWs) bands (ev): -7.9654 -7.9654 -7.9464 -7.9464 -7.9016 -7.9016 -7.8954 -7.8954 -7.5136 -7.5136 -7.5075 -7.5075 -7.4300 -7.4300 -7.4204 -7.4204 -7.3739 -7.3739 -7.3550 -7.3550 0.1885 0.1885 1.2063 1.2063 4.5813 4.5813 4.8492 4.8492 5.9294 5.9294 6.1903 6.1903 6.5906 6.5906 6.6917 6.6917 9.1764 9.1764 9.9733 9.9733 k =-0.2881 0.7379 0.6120 ( 4459 PWs) bands (ev): -7.9641 -7.9641 -7.9477 -7.9477 -7.9011 -7.9011 -7.8955 -7.8955 -7.5133 -7.5133 -7.5079 -7.5079 -7.4292 -7.4292 -7.4206 -7.4206 -7.3729 -7.3729 -7.3563 -7.3563 0.2511 0.2511 1.1250 1.1250 4.5933 4.5933 4.8219 4.8219 5.9380 5.9380 6.1617 6.1617 6.6249 6.6249 6.7099 6.7099 9.2395 9.2395 9.9335 9.9335 k =-0.2881 0.7379 0.6317 ( 4460 PWs) bands (ev): -7.9628 -7.9628 -7.9490 -7.9490 -7.9008 -7.9008 -7.8957 -7.8957 -7.5130 -7.5130 -7.5084 -7.5084 -7.4284 -7.4284 -7.4208 -7.4208 -7.3717 -7.3717 -7.3577 -7.3577 0.3154 0.3154 1.0447 1.0447 4.6058 4.6058 4.7957 4.7957 5.9476 5.9476 6.1334 6.1334 6.6561 6.6561 6.7274 6.7274 9.3031 9.3031 9.8892 9.8892 k =-0.2881 0.7379 0.6514 ( 4455 PWs) bands (ev): -7.9614 -7.9614 -7.9503 -7.9503 -7.9004 -7.9004 -7.8959 -7.8959 -7.5127 -7.5127 -7.5089 -7.5089 -7.4275 -7.4275 -7.4212 -7.4212 -7.3705 -7.3705 -7.3592 -7.3592 0.3813 0.3813 0.9657 0.9657 4.6189 4.6189 4.7709 4.7709 5.9582 5.9582 6.1063 6.1063 6.6827 6.6827 6.7433 6.7433 9.3670 9.3670 9.8409 9.8409 k =-0.2881 0.7379 0.6712 ( 4448 PWs) bands (ev): -7.9600 -7.9600 -7.9517 -7.9517 -7.9000 -7.9000 -7.8961 -7.8961 -7.5123 -7.5123 -7.5094 -7.5094 -7.4266 -7.4266 -7.4216 -7.4216 -7.3692 -7.3692 -7.3606 -7.3606 0.4488 0.4488 0.8879 0.8879 4.6329 4.6329 4.7474 4.7474 5.9702 5.9702 6.0810 6.0810 6.7039 6.7039 6.7568 6.7568 9.4309 9.4309 9.7893 9.7893 k =-0.2881 0.7379 0.6909 ( 4458 PWs) bands (ev): -7.9587 -7.9587 -7.9531 -7.9531 -7.8998 -7.8998 -7.8963 -7.8963 -7.5120 -7.5120 -7.5099 -7.5099 -7.4259 -7.4259 -7.4221 -7.4221 -7.3679 -7.3679 -7.3622 -7.3622 0.5178 0.5178 0.8116 0.8116 4.6478 4.6478 4.7256 4.7256 5.9837 5.9837 6.0577 6.0577 6.7191 6.7191 6.7672 6.7672 9.4942 9.4942 9.7346 9.7346 k =-0.2881 0.7379 0.7107 ( 4460 PWs) bands (ev): -7.9573 -7.9573 -7.9545 -7.9545 -7.8996 -7.8996 -7.8964 -7.8964 -7.5116 -7.5116 -7.5104 -7.5104 -7.4252 -7.4252 -7.4226 -7.4226 -7.3666 -7.3666 -7.3637 -7.3637 0.5878 0.5878 0.7372 0.7372 4.6630 4.6630 4.7062 4.7062 5.9986 5.9986 6.0367 6.0367 6.7283 6.7283 6.7737 6.7737 9.5567 9.5567 9.6774 9.6774 k =-0.2881 0.7379 0.7304 ( 4462 PWs) bands (ev): -7.9563 -7.9563 -7.9555 -7.9555 -7.8995 -7.8995 -7.8965 -7.8965 -7.5113 -7.5113 -7.5106 -7.5106 -7.4250 -7.4250 -7.4228 -7.4228 -7.3652 -7.3652 -7.3651 -7.3651 0.6462 0.6462 0.6773 0.6773 4.6731 4.6731 4.6947 4.6947 6.0113 6.0113 6.0221 6.0221 6.7313 6.7313 6.7759 6.7759 9.6161 9.6161 9.6197 9.6197 k =-0.2881 0.7379 0.7304 ( 4462 PWs) bands (ev): -7.9563 -7.9563 -7.9555 -7.9555 -7.8995 -7.8995 -7.8965 -7.8965 -7.5113 -7.5113 -7.5106 -7.5106 -7.4250 -7.4250 -7.4228 -7.4228 -7.3652 -7.3652 -7.3651 -7.3651 0.6462 0.6462 0.6773 0.6773 4.6731 4.6731 4.6947 4.6947 6.0113 6.0113 6.0221 6.0221 6.7313 6.7313 6.7759 6.7759 9.6161 9.6161 9.6197 9.6197 k =-0.2952 0.7198 0.7304 ( 4458 PWs) bands (ev): -7.9563 -7.9563 -7.9555 -7.9555 -7.8996 -7.8996 -7.8965 -7.8965 -7.5113 -7.5113 -7.5106 -7.5106 -7.4251 -7.4251 -7.4228 -7.4228 -7.3652 -7.3652 -7.3651 -7.3651 0.6571 0.6571 0.6896 0.6896 4.6326 4.6326 4.6537 4.6537 6.0374 6.0374 6.0503 6.0503 6.7308 6.7308 6.7745 6.7745 9.5181 9.5181 9.5246 9.5246 k =-0.3022 0.7017 0.7304 ( 4462 PWs) bands (ev): -7.9564 -7.9564 -7.9554 -7.9554 -7.8997 -7.8997 -7.8965 -7.8965 -7.5112 -7.5112 -7.5106 -7.5106 -7.4252 -7.4252 -7.4229 -7.4229 -7.3652 -7.3652 -7.3652 -7.3652 0.6681 0.6681 0.7021 0.7021 4.5930 4.5930 4.6139 4.6139 6.0662 6.0662 6.0814 6.0814 6.7271 6.7271 6.7691 6.7691 9.4182 9.4182 9.4276 9.4276 k =-0.3093 0.6837 0.7304 ( 4462 PWs) bands (ev): -7.9564 -7.9564 -7.9554 -7.9554 -7.8998 -7.8998 -7.8965 -7.8965 -7.5111 -7.5111 -7.5106 -7.5106 -7.4253 -7.4253 -7.4230 -7.4230 -7.3653 -7.3653 -7.3652 -7.3652 0.6794 0.6794 0.7146 0.7146 4.5546 4.5546 4.5755 4.5755 6.0973 6.0973 6.1151 6.1151 6.7208 6.7208 6.7604 6.7604 9.3168 9.3168 9.3290 9.3290 k =-0.3164 0.6656 0.7304 ( 4462 PWs) bands (ev): -7.9565 -7.9565 -7.9554 -7.9554 -7.8999 -7.8999 -7.8966 -7.8966 -7.5111 -7.5111 -7.5106 -7.5106 -7.4255 -7.4255 -7.4230 -7.4230 -7.3653 -7.3653 -7.3653 -7.3653 0.6908 0.6908 0.7272 0.7272 4.5177 4.5177 4.5389 4.5389 6.1304 6.1304 6.1510 6.1510 6.7126 6.7126 6.7490 6.7490 9.2142 9.2142 9.2289 9.2289 k =-0.3234 0.6475 0.7304 ( 4466 PWs) bands (ev): -7.9566 -7.9566 -7.9554 -7.9554 -7.9000 -7.9000 -7.8966 -7.8966 -7.5110 -7.5110 -7.5105 -7.5105 -7.4256 -7.4256 -7.4231 -7.4231 -7.3654 -7.3654 -7.3653 -7.3653 0.7021 0.7021 0.7395 0.7395 4.4827 4.4827 4.5042 4.5042 6.1648 6.1648 6.1887 6.1887 6.7035 6.7035 6.7360 6.7360 9.1105 9.1105 9.1276 9.1276 k =-0.3305 0.6294 0.7304 ( 4476 PWs) bands (ev): -7.9566 -7.9566 -7.9554 -7.9554 -7.9001 -7.9001 -7.8967 -7.8967 -7.5110 -7.5110 -7.5105 -7.5105 -7.4258 -7.4258 -7.4233 -7.4233 -7.3655 -7.3655 -7.3654 -7.3654 0.7133 0.7133 0.7517 0.7517 4.4499 4.4499 4.4717 4.4717 6.1995 6.1995 6.2273 6.2273 6.6949 6.6949 6.7226 6.7226 9.0058 9.0058 9.0253 9.0253 k =-0.3376 0.6113 0.7304 ( 4478 PWs) bands (ev): -7.9567 -7.9567 -7.9554 -7.9554 -7.9001 -7.9001 -7.8968 -7.8968 -7.5109 -7.5109 -7.5105 -7.5105 -7.4260 -7.4260 -7.4234 -7.4234 -7.3656 -7.3656 -7.3655 -7.3655 0.7243 0.7243 0.7634 0.7634 4.4194 4.4194 4.4417 4.4417 6.2331 6.2331 6.2655 6.2655 6.6887 6.6887 6.7107 6.7107 8.9005 8.9005 8.9222 8.9222 k =-0.3446 0.5932 0.7304 ( 4478 PWs) bands (ev): -7.9567 -7.9567 -7.9555 -7.9555 -7.9001 -7.9001 -7.8968 -7.8968 -7.5108 -7.5108 -7.5105 -7.5105 -7.4261 -7.4261 -7.4235 -7.4235 -7.3657 -7.3657 -7.3655 -7.3655 0.7349 0.7349 0.7746 0.7746 4.3914 4.3914 4.4144 4.4144 6.2637 6.2637 6.3013 6.3013 6.6872 6.6872 6.7029 6.7029 8.7947 8.7947 8.8187 8.8187 k =-0.3517 0.5751 0.7304 ( 4474 PWs) bands (ev): -7.9568 -7.9568 -7.9555 -7.9555 -7.9002 -7.9002 -7.8969 -7.8969 -7.5107 -7.5107 -7.5105 -7.5105 -7.4262 -7.4262 -7.4236 -7.4236 -7.3657 -7.3657 -7.3655 -7.3655 0.7452 0.7452 0.7852 0.7852 4.3663 4.3663 4.3898 4.3898 6.2890 6.2890 6.3318 6.3318 6.6932 6.6932 6.7025 6.7025 8.6885 8.6885 8.7149 8.7149 k =-0.3587 0.5570 0.7304 ( 4478 PWs) bands (ev): -7.9568 -7.9568 -7.9555 -7.9555 -7.9002 -7.9002 -7.8970 -7.8970 -7.5106 -7.5106 -7.5104 -7.5104 -7.4264 -7.4264 -7.4237 -7.4237 -7.3658 -7.3658 -7.3656 -7.3656 0.7549 0.7549 0.7951 0.7951 4.3441 4.3441 4.3681 4.3681 6.3067 6.3067 6.3538 6.3538 6.7094 6.7094 6.7132 6.7132 8.5824 8.5824 8.6111 8.6111 k =-0.3658 0.5389 0.7304 ( 4474 PWs) bands (ev): -7.9568 -7.9568 -7.9555 -7.9555 -7.9002 -7.9002 -7.8971 -7.8971 -7.5105 -7.5105 -7.5104 -7.5104 -7.4265 -7.4265 -7.4238 -7.4238 -7.3659 -7.3659 -7.3656 -7.3656 0.7641 0.7641 0.8043 0.8043 4.3249 4.3249 4.3493 4.3493 6.3158 6.3158 6.3649 6.3649 6.7371 6.7371 6.7378 6.7378 8.4764 8.4764 8.5079 8.5079 k =-0.3729 0.5208 0.7304 ( 4470 PWs) bands (ev): -7.9568 -7.9568 -7.9555 -7.9555 -7.9002 -7.9002 -7.8972 -7.8972 -7.5104 -7.5104 -7.5103 -7.5103 -7.4266 -7.4266 -7.4240 -7.4240 -7.3659 -7.3659 -7.3657 -7.3657 0.7726 0.7726 0.8126 0.8126 4.3089 4.3089 4.3336 4.3336 6.3166 6.3166 6.3656 6.3656 6.7762 6.7762 6.7765 6.7765 8.3711 8.3711 8.4055 8.4055 k =-0.3799 0.5028 0.7304 ( 4468 PWs) bands (ev): -7.9568 -7.9568 -7.9555 -7.9555 -7.9002 -7.9002 -7.8973 -7.8973 -7.5103 -7.5103 -7.5102 -7.5102 -7.4267 -7.4267 -7.4241 -7.4241 -7.3660 -7.3660 -7.3658 -7.3658 0.7805 0.7805 0.8199 0.8199 4.2959 4.2959 4.3209 4.3209 6.3111 6.3111 6.3580 6.3580 6.8251 6.8251 6.8271 6.8271 8.2667 8.2667 8.3045 8.3045 k =-0.3870 0.4847 0.7304 ( 4468 PWs) bands (ev): -7.9568 -7.9568 -7.9555 -7.9555 -7.9002 -7.9002 -7.8974 -7.8974 -7.5102 -7.5102 -7.5102 -7.5102 -7.4268 -7.4268 -7.4243 -7.4243 -7.3661 -7.3661 -7.3658 -7.3658 0.7876 0.7876 0.8264 0.8264 4.2861 4.2861 4.3111 4.3111 6.3013 6.3013 6.3453 6.3453 6.8817 6.8817 6.8871 6.8871 8.1637 8.1637 8.2056 8.2056 k =-0.3941 0.4666 0.7304 ( 4470 PWs) bands (ev): -7.9568 -7.9568 -7.9556 -7.9556 -7.9002 -7.9002 -7.8975 -7.8975 -7.5102 -7.5102 -7.5101 -7.5101 -7.4269 -7.4269 -7.4245 -7.4245 -7.3662 -7.3662 -7.3659 -7.3659 0.7941 0.7941 0.8319 0.8319 4.2792 4.2792 4.3042 4.3042 6.2890 6.2890 6.3297 6.3297 6.9439 6.9439 6.9540 6.9540 8.0627 8.0627 8.1097 8.1097 k =-0.4011 0.4485 0.7304 ( 4470 PWs) bands (ev): -7.9568 -7.9568 -7.9556 -7.9556 -7.9002 -7.9002 -7.8976 -7.8976 -7.5101 -7.5101 -7.5101 -7.5101 -7.4270 -7.4270 -7.4246 -7.4246 -7.3663 -7.3663 -7.3660 -7.3660 0.7998 0.7998 0.8364 0.8364 4.2752 4.2752 4.2999 4.2999 6.2759 6.2759 6.3131 6.3131 7.0096 7.0096 7.0261 7.0261 7.9644 7.9644 8.0180 8.0180 k =-0.4082 0.4304 0.7304 ( 4466 PWs) bands (ev): -7.9568 -7.9568 -7.9557 -7.9557 -7.9002 -7.9002 -7.8977 -7.8977 -7.5100 -7.5100 -7.5100 -7.5100 -7.4270 -7.4270 -7.4248 -7.4248 -7.3663 -7.3663 -7.3660 -7.3660 0.8049 0.8049 0.8400 0.8400 4.2739 4.2739 4.2981 4.2981 6.2629 6.2629 6.2968 6.2968 7.0764 7.0764 7.1014 7.1014 7.8701 7.8701 7.9323 7.9323 k =-0.4152 0.4123 0.7304 ( 4470 PWs) bands (ev): -7.9568 -7.9568 -7.9557 -7.9557 -7.9002 -7.9002 -7.8978 -7.8978 -7.5099 -7.5099 -7.5099 -7.5099 -7.4271 -7.4271 -7.4250 -7.4250 -7.3664 -7.3664 -7.3661 -7.3661 0.8094 0.8094 0.8428 0.8428 4.2750 4.2750 4.2985 4.2985 6.2511 6.2511 6.2817 6.2817 7.1410 7.1410 7.1777 7.1777 7.7818 7.7818 7.8559 7.8559 k =-0.4223 0.3942 0.7304 ( 4474 PWs) bands (ev): -7.9568 -7.9568 -7.9558 -7.9558 -7.9001 -7.9001 -7.8980 -7.8980 -7.5099 -7.5099 -7.5099 -7.5099 -7.4272 -7.4272 -7.4252 -7.4252 -7.3664 -7.3664 -7.3662 -7.3662 0.8132 0.8132 0.8447 0.8447 4.2782 4.2782 4.3008 4.3008 6.2409 6.2409 6.2684 6.2684 7.1980 7.1980 7.2505 7.2505 7.7037 7.7037 7.7939 7.7939 k =-0.4294 0.3761 0.7304 ( 4468 PWs) bands (ev): -7.9568 -7.9568 -7.9558 -7.9558 -7.9001 -7.9001 -7.8981 -7.8981 -7.5098 -7.5098 -7.5098 -7.5098 -7.4272 -7.4272 -7.4253 -7.4253 -7.3665 -7.3665 -7.3663 -7.3663 0.8165 0.8165 0.8459 0.8459 4.2831 4.2831 4.3047 4.3047 6.2328 6.2328 6.2574 6.2574 7.2391 7.2391 7.3095 7.3095 7.6464 7.6464 7.7548 7.7548 k =-0.4364 0.3580 0.7304 ( 4468 PWs) bands (ev): -7.9567 -7.9567 -7.9559 -7.9559 -7.9000 -7.9000 -7.8982 -7.8982 -7.5097 -7.5097 -7.5097 -7.5097 -7.4272 -7.4272 -7.4255 -7.4255 -7.3665 -7.3665 -7.3663 -7.3663 0.8194 0.8194 0.8464 0.8464 4.2895 4.2895 4.3097 4.3097 6.2271 6.2271 6.2488 6.2488 7.2548 7.2548 7.3331 7.3331 7.6315 7.6315 7.7480 7.7480 k =-0.4435 0.3399 0.7304 ( 4464 PWs) bands (ev): -7.9567 -7.9567 -7.9559 -7.9559 -7.8999 -7.8999 -7.8983 -7.8983 -7.5097 -7.5097 -7.5096 -7.5096 -7.4272 -7.4272 -7.4257 -7.4257 -7.3666 -7.3666 -7.3664 -7.3664 0.8219 0.8219 0.8463 0.8463 4.2969 4.2969 4.3155 4.3155 6.2238 6.2238 6.2429 6.2429 7.2424 7.2424 7.3098 7.3098 7.6706 7.6706 7.7765 7.7765 k =-0.4506 0.3218 0.7304 ( 4468 PWs) bands (ev): -7.9567 -7.9567 -7.9560 -7.9560 -7.8999 -7.8999 -7.8985 -7.8985 -7.5096 -7.5096 -7.5096 -7.5096 -7.4272 -7.4272 -7.4259 -7.4259 -7.3666 -7.3666 -7.3664 -7.3664 0.8240 0.8240 0.8458 0.8458 4.3049 4.3049 4.3217 4.3217 6.2231 6.2231 6.2396 6.2396 7.2096 7.2096 7.2604 7.2604 7.7431 7.7431 7.8324 7.8324 k =-0.4576 0.3038 0.7304 ( 4468 PWs) bands (ev): -7.9566 -7.9566 -7.9560 -7.9560 -7.8998 -7.8998 -7.8986 -7.8986 -7.5096 -7.5096 -7.5096 -7.5096 -7.4272 -7.4272 -7.4260 -7.4260 -7.3666 -7.3666 -7.3665 -7.3665 0.8259 0.8259 0.8449 0.8449 4.3130 4.3130 4.3279 4.3279 6.2247 6.2247 6.2387 6.2387 7.1671 7.1671 7.2041 7.2041 7.8299 7.8299 7.9051 7.9051 k =-0.4647 0.2857 0.7304 ( 4468 PWs) bands (ev): -7.9566 -7.9566 -7.9561 -7.9561 -7.8998 -7.8998 -7.8987 -7.8987 -7.5096 -7.5096 -7.5095 -7.5095 -7.4271 -7.4271 -7.4262 -7.4262 -7.3667 -7.3667 -7.3665 -7.3665 0.8277 0.8277 0.8437 0.8437 4.3210 4.3210 4.3337 4.3337 6.2281 6.2281 6.2397 6.2397 7.1227 7.1227 7.1494 7.1494 7.9220 7.9220 7.9862 7.9862 k =-0.4717 0.2676 0.7304 ( 4468 PWs) bands (ev): -7.9565 -7.9565 -7.9561 -7.9561 -7.8997 -7.8997 -7.8989 -7.8989 -7.5095 -7.5095 -7.5095 -7.5095 -7.4271 -7.4271 -7.4263 -7.4263 -7.3667 -7.3667 -7.3666 -7.3666 0.8293 0.8293 0.8423 0.8423 4.3283 4.3283 4.3387 4.3387 6.2328 6.2328 6.2421 6.2421 7.0813 7.0813 7.1003 7.1003 8.0148 8.0148 8.0695 8.0695 k =-0.4788 0.2495 0.7304 ( 4464 PWs) bands (ev): -7.9565 -7.9565 -7.9562 -7.9562 -7.8996 -7.8996 -7.8989 -7.8989 -7.5095 -7.5095 -7.5094 -7.5094 -7.4270 -7.4270 -7.4264 -7.4264 -7.3667 -7.3667 -7.3666 -7.3666 0.8309 0.8309 0.8407 0.8407 4.3347 4.3347 4.3426 4.3426 6.2381 6.2381 6.2451 6.2451 7.0462 7.0462 7.0593 7.0593 8.1035 8.1035 8.1488 8.1488 k =-0.4859 0.2314 0.7304 ( 4464 PWs) bands (ev): -7.9565 -7.9565 -7.9562 -7.9562 -7.8995 -7.8995 -7.8990 -7.8990 -7.5094 -7.5094 -7.5094 -7.5094 -7.4270 -7.4270 -7.4266 -7.4266 -7.3667 -7.3667 -7.3666 -7.3666 0.8325 0.8325 0.8391 0.8391 4.3399 4.3399 4.3452 4.3452 6.2431 6.2431 6.2477 6.2477 7.0199 7.0199 7.0281 7.0281 8.1822 8.1822 8.2161 8.2161 k =-0.4929 0.2133 0.7304 ( 4464 PWs) bands (ev): -7.9564 -7.9564 -7.9563 -7.9563 -7.8994 -7.8994 -7.8992 -7.8992 -7.5094 -7.5094 -7.5094 -7.5094 -7.4269 -7.4269 -7.4267 -7.4267 -7.3667 -7.3667 -7.3666 -7.3666 0.8341 0.8341 0.8374 0.8374 4.3436 4.3436 4.3463 4.3463 6.2470 6.2470 6.2493 6.2493 7.0041 7.0041 7.0080 7.0080 8.2416 8.2416 8.2604 8.2604 k =-0.5000 0.1952 0.7304 ( 4460 PWs) bands (ev): -7.9563 -7.9563 -7.9563 -7.9563 -7.8992 -7.8992 -7.8992 -7.8992 -7.5094 -7.5094 -7.5094 -7.5094 -7.4268 -7.4268 -7.4268 -7.4268 -7.3667 -7.3667 -7.3667 -7.3667 0.8358 0.8358 0.8358 0.8358 4.3458 4.3458 4.3458 4.3458 6.2491 6.2491 6.2491 6.2491 7.0000 7.0000 7.0000 7.0000 8.2702 8.2702 8.2702 8.2702 k =-0.5000 0.1952 0.7304 ( 4460 PWs) bands (ev): -7.9563 -7.9563 -7.9563 -7.9563 -7.8992 -7.8992 -7.8992 -7.8992 -7.5094 -7.5094 -7.5094 -7.5094 -7.4268 -7.4268 -7.4268 -7.4268 -7.3667 -7.3667 -7.3667 -7.3667 0.8358 0.8358 0.8358 0.8358 4.3458 4.3458 4.3458 4.3458 6.2491 6.2491 6.2491 6.2491 7.0000 7.0000 7.0000 7.0000 8.2702 8.2702 8.2702 8.2702 k =-0.5000 0.1952 0.7107 ( 4464 PWs) bands (ev): -7.9579 -7.9579 -7.9549 -7.9549 -7.8998 -7.8998 -7.8988 -7.8988 -7.5100 -7.5100 -7.5089 -7.5089 -7.4275 -7.4275 -7.4261 -7.4261 -7.3684 -7.3684 -7.3650 -7.3650 0.7365 0.7365 0.9368 0.9368 4.2564 4.2564 4.4353 4.4353 6.2401 6.2401 6.2613 6.2613 6.9505 6.9505 7.0502 7.0502 8.1927 8.1927 8.3503 8.3503 k =-0.5000 0.1952 0.6909 ( 4458 PWs) bands (ev): -7.9593 -7.9593 -7.9534 -7.9534 -7.9003 -7.9003 -7.8983 -7.8983 -7.5105 -7.5105 -7.5084 -7.5084 -7.4281 -7.4281 -7.4254 -7.4254 -7.3700 -7.3700 -7.3633 -7.3633 0.6392 0.6392 1.0396 1.0396 4.1678 4.1678 4.5247 4.5247 6.2341 6.2341 6.2769 6.2769 6.9016 6.9016 7.1014 7.1014 8.1182 8.1182 8.4327 8.4327 k =-0.5000 0.1952 0.6712 ( 4462 PWs) bands (ev): -7.9609 -7.9609 -7.9519 -7.9519 -7.9008 -7.9008 -7.8979 -7.8979 -7.5111 -7.5111 -7.5079 -7.5079 -7.4288 -7.4288 -7.4247 -7.4247 -7.3717 -7.3717 -7.3617 -7.3617 0.5440 0.5440 1.1437 1.1437 4.0804 4.0804 4.6135 4.6135 6.2309 6.2309 6.2960 6.2960 6.8533 6.8533 7.1536 7.1536 8.0469 8.0469 8.5170 8.5170 k =-0.5000 0.1952 0.6514 ( 4470 PWs) bands (ev): -7.9624 -7.9624 -7.9506 -7.9506 -7.9014 -7.9014 -7.8975 -7.8975 -7.5117 -7.5117 -7.5075 -7.5075 -7.4294 -7.4294 -7.4242 -7.4242 -7.3733 -7.3733 -7.3602 -7.3602 0.4510 0.4510 1.2490 1.2490 3.9945 3.9945 4.7013 4.7013 6.2302 6.2302 6.3186 6.3186 6.8055 6.8055 7.2069 7.2069 7.9792 7.9792 8.6029 8.6029 k =-0.5000 0.1952 0.6317 ( 4474 PWs) bands (ev): -7.9639 -7.9639 -7.9492 -7.9492 -7.9019 -7.9019 -7.8971 -7.8971 -7.5123 -7.5123 -7.5071 -7.5071 -7.4299 -7.4299 -7.4237 -7.4237 -7.3750 -7.3750 -7.3587 -7.3587 0.3602 0.3602 1.3551 1.3551 3.9109 3.9109 4.7876 4.7876 6.2318 6.2318 6.3450 6.3450 6.7580 6.7580 7.2615 7.2615 7.9157 7.9157 8.6893 8.6893 k =-0.5000 0.1952 0.6120 ( 4472 PWs) bands (ev): -7.9654 -7.9654 -7.9479 -7.9479 -7.9025 -7.9025 -7.8968 -7.8968 -7.5129 -7.5129 -7.5067 -7.5067 -7.4304 -7.4304 -7.4233 -7.4233 -7.3764 -7.3764 -7.3573 -7.3573 0.2718 0.2718 1.4616 1.4616 3.8302 3.8302 4.8720 4.8720 6.2351 6.2351 6.3750 6.3750 6.7110 6.7110 7.3173 7.3173 7.8568 7.8568 8.7560 8.7560 k =-0.5000 0.1952 0.5922 ( 4478 PWs) bands (ev): -7.9669 -7.9669 -7.9466 -7.9466 -7.9030 -7.9030 -7.8966 -7.8966 -7.5134 -7.5134 -7.5065 -7.5065 -7.4307 -7.4307 -7.4230 -7.4230 -7.3779 -7.3779 -7.3559 -7.3559 0.1857 0.1857 1.5678 1.5678 3.7531 3.7531 4.9541 4.9541 6.2399 6.2399 6.4089 6.4089 6.6645 6.6645 7.3744 7.3744 7.8032 7.8032 8.7385 8.7385 k =-0.5000 0.1952 0.5725 ( 4482 PWs) bands (ev): -7.9683 -7.9683 -7.9453 -7.9453 -7.9036 -7.9036 -7.8964 -7.8964 -7.5140 -7.5140 -7.5063 -7.5063 -7.4310 -7.4310 -7.4228 -7.4228 -7.3792 -7.3792 -7.3547 -7.3547 0.1021 0.1021 1.6729 1.6729 3.6806 3.6806 5.0333 5.0333 6.2456 6.2456 6.4466 6.4466 6.6184 6.6184 7.4323 7.4323 7.7558 7.7558 8.7137 8.7137 k =-0.5000 0.1952 0.5527 ( 4486 PWs) bands (ev): -7.9696 -7.9696 -7.9442 -7.9442 -7.9042 -7.9042 -7.8962 -7.8962 -7.5145 -7.5145 -7.5061 -7.5061 -7.4312 -7.4312 -7.4228 -7.4228 -7.3803 -7.3803 -7.3535 -7.3535 0.0210 0.0210 1.7760 1.7760 3.6140 3.6140 5.1092 5.1092 6.2517 6.2517 6.4881 6.4881 6.5729 6.5729 7.4900 7.4900 7.7165 7.7165 8.6903 8.6903 k =-0.5000 0.1952 0.5330 ( 4490 PWs) bands (ev): -7.9709 -7.9709 -7.9431 -7.9431 -7.9047 -7.9047 -7.8961 -7.8961 -7.5150 -7.5150 -7.5060 -7.5060 -7.4312 -7.4312 -7.4229 -7.4229 -7.3814 -7.3814 -7.3525 -7.3525 -0.0576 -0.0576 1.8754 1.8754 3.5548 3.5548 5.1813 5.1813 6.2576 6.2576 6.5266 6.5266 6.5349 6.5349 7.5436 7.5436 7.6897 7.6897 8.6682 8.6682 k =-0.5000 0.1952 0.5133 ( 4486 PWs) bands (ev): -7.9722 -7.9722 -7.9419 -7.9419 -7.9052 -7.9052 -7.8961 -7.8961 -7.5154 -7.5154 -7.5060 -7.5060 -7.4311 -7.4311 -7.4232 -7.4232 -7.3822 -7.3822 -7.3515 -7.3515 -0.1336 -0.1336 1.9693 1.9693 3.5051 3.5051 5.2491 5.2491 6.2626 6.2626 6.4838 6.4838 6.5830 6.5830 7.5799 7.5799 7.6894 7.6894 8.6472 8.6472 k =-0.5000 0.1952 0.4935 ( 4484 PWs) bands (ev): -7.9733 -7.9733 -7.9409 -7.9409 -7.9058 -7.9058 -7.8962 -7.8962 -7.5158 -7.5158 -7.5060 -7.5060 -7.4309 -7.4309 -7.4236 -7.4236 -7.3829 -7.3829 -7.3506 -7.3506 -0.2071 -0.2071 2.0554 2.0554 3.4675 3.4675 5.3120 5.3120 6.2662 6.2662 6.4407 6.4407 6.6361 6.6361 7.5864 7.5864 7.7286 7.7286 8.6267 8.6267 k =-0.5000 0.1952 0.4738 ( 4498 PWs) bands (ev): -7.9745 -7.9745 -7.9400 -7.9400 -7.9064 -7.9064 -7.8963 -7.8963 -7.5163 -7.5163 -7.5061 -7.5061 -7.4306 -7.4306 -7.4243 -7.4243 -7.3834 -7.3834 -7.3498 -7.3498 -0.2778 -0.2778 2.1305 2.1305 3.4450 3.4450 5.3695 5.3695 6.2677 6.2677 6.3989 6.3989 6.6929 6.6929 7.5821 7.5821 7.7890 7.7890 8.6069 8.6069 k =-0.5000 0.1952 0.4540 ( 4494 PWs) bands (ev): -7.9754 -7.9754 -7.9390 -7.9390 -7.9069 -7.9069 -7.8965 -7.8965 -7.5166 -7.5166 -7.5062 -7.5062 -7.4303 -7.4303 -7.4249 -7.4249 -7.3838 -7.3838 -7.3492 -7.3492 -0.3460 -0.3460 2.1916 2.1916 3.4409 3.4409 5.4213 5.4213 6.2663 6.2663 6.3586 6.3586 6.7536 6.7536 7.5806 7.5806 7.8570 7.8570 8.5878 8.5878 k =-0.5000 0.1952 0.4343 ( 4496 PWs) bands (ev): -7.9764 -7.9764 -7.9382 -7.9382 -7.9074 -7.9074 -7.8968 -7.8968 -7.5169 -7.5169 -7.5064 -7.5064 -7.4301 -7.4301 -7.4255 -7.4255 -7.3840 -7.3840 -7.3486 -7.3486 -0.4114 -0.4114 2.2361 2.2361 3.4579 3.4579 5.4670 5.4670 6.2612 6.2612 6.3207 6.3207 6.8179 6.8179 7.5861 7.5861 7.9290 7.9290 8.5700 8.5700 k =-0.5000 0.1952 0.4146 ( 4494 PWs) bands (ev): -7.9773 -7.9773 -7.9373 -7.9373 -7.9079 -7.9079 -7.8972 -7.8972 -7.5172 -7.5172 -7.5066 -7.5066 -7.4301 -7.4301 -7.4258 -7.4258 -7.3841 -7.3841 -7.3482 -7.3482 -0.4741 -0.4741 2.2628 2.2628 3.4971 3.4971 5.5062 5.5062 6.2499 6.2499 6.2873 6.2873 6.8859 6.8859 7.5996 7.5996 8.0036 8.0036 8.5541 8.5541 k =-0.5000 0.1952 0.3948 ( 4498 PWs) bands (ev): -7.9781 -7.9781 -7.9366 -7.9366 -7.9083 -7.9083 -7.8976 -7.8976 -7.5174 -7.5174 -7.5069 -7.5069 -7.4306 -7.4306 -7.4257 -7.4257 -7.3841 -7.3841 -7.3478 -7.3478 -0.5341 -0.5341 2.2724 2.2724 3.5581 3.5581 5.5389 5.5389 6.2277 6.2277 6.2636 6.2636 6.9574 6.9574 7.6216 7.6216 8.0802 8.0802 8.5409 8.5409 k =-0.5000 0.1952 0.3751 ( 4492 PWs) bands (ev): -7.9788 -7.9788 -7.9358 -7.9358 -7.9088 -7.9088 -7.8981 -7.8981 -7.5176 -7.5176 -7.5072 -7.5072 -7.4314 -7.4314 -7.4252 -7.4252 -7.3839 -7.3839 -7.3476 -7.3476 -0.5914 -0.5914 2.2673 2.2673 3.6385 3.6385 5.5650 5.5650 6.1969 6.1969 6.2470 6.2470 7.0322 7.0322 7.6519 7.6519 8.1578 8.1578 8.5312 8.5312 k =-0.5000 0.1952 0.3553 ( 4492 PWs) bands (ev): -7.9794 -7.9794 -7.9351 -7.9351 -7.9092 -7.9092 -7.8988 -7.8988 -7.5178 -7.5178 -7.5075 -7.5075 -7.4326 -7.4326 -7.4244 -7.4244 -7.3837 -7.3837 -7.3475 -7.3475 -0.6458 -0.6458 2.2506 2.2506 3.7351 3.7351 5.5847 5.5847 6.1642 6.1642 6.2313 6.2313 7.1104 7.1104 7.6903 7.6903 8.2351 8.2351 8.5241 8.5241 k =-0.5000 0.1952 0.3356 ( 4492 PWs) bands (ev): -7.9799 -7.9799 -7.9344 -7.9344 -7.9097 -7.9097 -7.8995 -7.8995 -7.5179 -7.5179 -7.5078 -7.5078 -7.4339 -7.4339 -7.4234 -7.4234 -7.3834 -7.3834 -7.3475 -7.3475 -0.6974 -0.6974 2.2256 2.2256 3.8449 3.8449 5.5984 5.5984 6.1318 6.1318 6.2147 6.2147 7.1916 7.1916 7.7363 7.7363 8.3068 8.3068 8.5038 8.5038 k =-0.5000 0.1952 0.3159 ( 4480 PWs) bands (ev): -7.9804 -7.9804 -7.9337 -7.9337 -7.9100 -7.9100 -7.9002 -7.9002 -7.5180 -7.5180 -7.5081 -7.5081 -7.4352 -7.4352 -7.4223 -7.4223 -7.3830 -7.3830 -7.3475 -7.3475 -0.7463 -0.7463 2.1949 2.1949 3.9650 3.9650 5.6067 5.6067 6.1000 6.1000 6.1970 6.1970 7.2757 7.2757 7.7894 7.7894 8.3379 8.3379 8.4577 8.4577 k =-0.5000 0.1952 0.2961 ( 4480 PWs) bands (ev): -7.9808 -7.9808 -7.9331 -7.9331 -7.9104 -7.9104 -7.9010 -7.9010 -7.5180 -7.5180 -7.5084 -7.5084 -7.4366 -7.4366 -7.4212 -7.4212 -7.3825 -7.3825 -7.3477 -7.3477 -0.7922 -0.7922 2.1608 2.1608 4.0934 4.0934 5.6101 5.6101 6.0690 6.0690 6.1785 6.1785 7.3624 7.3624 7.8488 7.8488 8.2654 8.2654 8.4903 8.4903 k =-0.5000 0.1952 0.2764 ( 4478 PWs) bands (ev): -7.9811 -7.9811 -7.9325 -7.9325 -7.9108 -7.9108 -7.9019 -7.9019 -7.5180 -7.5180 -7.5087 -7.5087 -7.4379 -7.4379 -7.4200 -7.4200 -7.3820 -7.3820 -7.3481 -7.3481 -0.8353 -0.8353 2.1249 2.1249 4.2284 4.2284 5.6096 5.6096 6.0388 6.0388 6.1595 6.1595 7.4512 7.4512 7.9141 7.9141 8.1619 8.1619 8.5329 8.5329 k =-0.5000 0.1952 0.2566 ( 4484 PWs) bands (ev): -7.9814 -7.9814 -7.9319 -7.9319 -7.9112 -7.9112 -7.9029 -7.9029 -7.5181 -7.5181 -7.5091 -7.5091 -7.4393 -7.4393 -7.4188 -7.4188 -7.3814 -7.3814 -7.3485 -7.3485 -0.8755 -0.8755 2.0885 2.0885 4.3685 4.3685 5.6057 5.6057 6.0094 6.0094 6.1404 6.1404 7.5414 7.5414 7.9843 7.9843 8.0543 8.0543 8.5660 8.5660 k =-0.5000 0.1952 0.2369 ( 4480 PWs) bands (ev): -7.9816 -7.9816 -7.9313 -7.9313 -7.9115 -7.9115 -7.9039 -7.9039 -7.5180 -7.5180 -7.5094 -7.5094 -7.4407 -7.4407 -7.4177 -7.4177 -7.3808 -7.3808 -7.3489 -7.3489 -0.9128 -0.9128 2.0525 2.0525 4.5129 4.5129 5.5995 5.5995 5.9809 5.9809 6.1215 6.1215 7.6308 7.6308 7.9467 7.9467 8.0594 8.0594 8.5977 8.5977 k =-0.5000 0.1952 0.2171 ( 4480 PWs) bands (ev): -7.9817 -7.9817 -7.9307 -7.9307 -7.9118 -7.9118 -7.9049 -7.9049 -7.5180 -7.5180 -7.5096 -7.5096 -7.4420 -7.4420 -7.4165 -7.4165 -7.3801 -7.3801 -7.3495 -7.3495 -0.9472 -0.9472 2.0177 2.0177 4.6606 4.6606 5.5914 5.5914 5.9533 5.9533 6.1032 6.1032 7.7079 7.7079 7.8518 7.8518 8.1378 8.1378 8.6312 8.6312 k =-0.5000 0.1952 0.1974 ( 4486 PWs) bands (ev): -7.9818 -7.9818 -7.9302 -7.9302 -7.9121 -7.9121 -7.9060 -7.9060 -7.5180 -7.5180 -7.5099 -7.5099 -7.4433 -7.4433 -7.4154 -7.4154 -7.3794 -7.3794 -7.3501 -7.3501 -0.9787 -0.9787 1.9846 1.9846 4.8110 4.8110 5.5822 5.5822 5.9270 5.9270 6.0857 6.0857 7.6855 7.6855 7.8552 7.8552 8.2189 8.2189 8.6673 8.6673 k =-0.5000 0.1952 0.1777 ( 4478 PWs) bands (ev): -7.9819 -7.9819 -7.9296 -7.9296 -7.9124 -7.9124 -7.9070 -7.9070 -7.5179 -7.5179 -7.5101 -7.5101 -7.4444 -7.4444 -7.4144 -7.4144 -7.3787 -7.3787 -7.3508 -7.3508 -1.0072 -1.0072 1.9537 1.9537 4.9635 4.9635 5.5725 5.5725 5.9021 5.9021 6.0693 6.0693 7.5818 7.5818 7.9379 7.9379 8.3018 8.3018 8.7056 8.7056 k =-0.5000 0.1952 0.1579 ( 4478 PWs) bands (ev): -7.9819 -7.9819 -7.9291 -7.9291 -7.9126 -7.9126 -7.9080 -7.9080 -7.5178 -7.5178 -7.5103 -7.5103 -7.4454 -7.4454 -7.4134 -7.4134 -7.3779 -7.3779 -7.3515 -7.3515 -1.0327 -1.0327 1.9254 1.9254 5.1174 5.1174 5.5627 5.5627 5.8788 5.8788 6.0542 6.0542 7.4663 7.4663 8.0289 8.0289 8.3850 8.3850 8.7455 8.7455 k =-0.5000 0.1952 0.1382 ( 4478 PWs) bands (ev): -7.9819 -7.9819 -7.9286 -7.9286 -7.9129 -7.9129 -7.9090 -7.9090 -7.5177 -7.5177 -7.5105 -7.5105 -7.4464 -7.4464 -7.4125 -7.4125 -7.3771 -7.3771 -7.3522 -7.3522 -1.0553 -1.0553 1.8998 1.8998 5.2722 5.2722 5.5533 5.5533 5.8576 5.8576 6.0405 6.0405 7.3459 7.3459 8.1196 8.1196 8.4670 8.4670 8.7863 8.7863 k =-0.5000 0.1952 0.1184 ( 4478 PWs) bands (ev): -7.9819 -7.9819 -7.9281 -7.9281 -7.9130 -7.9130 -7.9100 -7.9100 -7.5176 -7.5176 -7.5107 -7.5107 -7.4473 -7.4473 -7.4117 -7.4117 -7.3764 -7.3764 -7.3529 -7.3529 -1.0749 -1.0749 1.8773 1.8773 5.4273 5.4273 5.5446 5.5446 5.8386 5.8386 6.0284 6.0284 7.2217 7.2217 8.2070 8.2070 8.5456 8.5456 8.8276 8.8276 k =-0.5000 0.1952 0.0987 ( 4476 PWs) bands (ev): -7.9818 -7.9818 -7.9276 -7.9276 -7.9132 -7.9132 -7.9108 -7.9108 -7.5176 -7.5176 -7.5108 -7.5108 -7.4480 -7.4480 -7.4111 -7.4111 -7.3756 -7.3756 -7.3538 -7.3538 -1.0915 -1.0915 1.8580 1.8580 5.5364 5.5364 5.5822 5.5822 5.8221 5.8221 6.0179 6.0179 7.0941 7.0941 8.2889 8.2889 8.6179 8.6179 8.8688 8.8688 k =-0.5000 0.1952 0.0790 ( 4480 PWs) bands (ev): -7.9818 -7.9818 -7.9272 -7.9272 -7.9133 -7.9133 -7.9116 -7.9116 -7.5175 -7.5175 -7.5110 -7.5110 -7.4486 -7.4486 -7.4105 -7.4105 -7.3750 -7.3750 -7.3544 -7.3544 -1.1051 -1.1051 1.8420 1.8420 5.5299 5.5299 5.7349 5.7349 5.8088 5.8088 6.0093 6.0093 6.9636 6.9636 8.3626 8.3626 8.6808 8.6808 8.9091 8.9091 k =-0.5000 0.1952 0.0592 ( 4484 PWs) bands (ev): -7.9818 -7.9818 -7.9268 -7.9268 -7.9135 -7.9135 -7.9123 -7.9123 -7.5175 -7.5175 -7.5110 -7.5110 -7.4492 -7.4492 -7.4101 -7.4101 -7.3744 -7.3744 -7.3550 -7.3550 -1.1157 -1.1157 1.8295 1.8295 5.5245 5.5245 5.7964 5.7964 5.8866 5.8866 6.0025 6.0025 6.8314 6.8314 8.4249 8.4249 8.7312 8.7312 8.9469 8.9469 k =-0.5000 0.1952 0.0395 ( 4470 PWs) bands (ev): -7.9817 -7.9817 -7.9265 -7.9265 -7.9135 -7.9135 -7.9127 -7.9127 -7.5174 -7.5174 -7.5111 -7.5111 -7.4494 -7.4494 -7.4098 -7.4098 -7.3739 -7.3739 -7.3554 -7.3554 -1.1232 -1.1232 1.8204 1.8204 5.5206 5.5206 5.7889 5.7889 5.9975 5.9975 6.0302 6.0302 6.7007 6.7007 8.4728 8.4728 8.7675 8.7675 8.9787 8.9787 k =-0.5000 0.1952 0.0197 ( 4466 PWs) bands (ev): -7.9817 -7.9817 -7.9263 -7.9263 -7.9136 -7.9136 -7.9130 -7.9130 -7.5173 -7.5173 -7.5111 -7.5111 -7.4496 -7.4496 -7.4095 -7.4095 -7.3736 -7.3736 -7.3557 -7.3557 -1.1278 -1.1278 1.8150 1.8150 5.5182 5.5182 5.7841 5.7841 5.9946 5.9946 6.1564 6.1564 6.5823 6.5823 8.5030 8.5030 8.7890 8.7890 9.0002 9.0002 k =-0.5000 0.1952 0.0000 ( 4466 PWs) bands (ev): -7.9817 -7.9817 -7.9263 -7.9263 -7.9136 -7.9136 -7.9131 -7.9131 -7.5173 -7.5173 -7.5111 -7.5111 -7.4497 -7.4497 -7.4095 -7.4095 -7.3734 -7.3734 -7.3558 -7.3558 -1.1293 -1.1293 1.8132 1.8132 5.5174 5.5174 5.7826 5.7826 5.9936 5.9936 6.2194 6.2194 6.5220 6.5220 8.5134 8.5134 8.7961 8.7961 9.0078 9.0078 k = 0.0000 0.0000 0.7304 ( 4498 PWs) bands (ev): -7.9575 -7.9575 -7.9575 -7.9575 -7.8973 -7.8973 -7.8973 -7.8973 -7.5103 -7.5103 -7.5103 -7.5103 -7.4256 -7.4256 -7.4256 -7.4256 -7.3674 -7.3674 -7.3674 -7.3674 0.6174 0.6174 0.6174 0.6174 4.9733 4.9733 4.9733 4.9733 5.5298 5.5298 5.5298 5.5298 6.4307 6.4307 6.4307 6.4307 10.2278 10.2278 10.2278 10.2278 k =-0.0179 0.0070 0.7304 ( 4498 PWs) bands (ev): -7.9575 -7.9575 -7.9575 -7.9575 -7.8973 -7.8973 -7.8973 -7.8973 -7.5102 -7.5102 -7.5102 -7.5102 -7.4256 -7.4256 -7.4256 -7.4256 -7.3674 -7.3674 -7.3674 -7.3674 0.6180 0.6180 0.6180 0.6180 4.9721 4.9721 4.9721 4.9721 5.5314 5.5314 5.5314 5.5314 6.4301 6.4301 6.4301 6.4301 10.2304 10.2304 10.2304 10.2304 k =-0.0357 0.0139 0.7304 ( 4502 PWs) bands (ev): -7.9574 -7.9574 -7.9574 -7.9574 -7.8973 -7.8973 -7.8973 -7.8973 -7.5103 -7.5103 -7.5103 -7.5103 -7.4256 -7.4256 -7.4256 -7.4256 -7.3674 -7.3674 -7.3674 -7.3674 0.6198 0.6198 0.6198 0.6198 4.9685 4.9685 4.9685 4.9685 5.5361 5.5361 5.5361 5.5361 6.4283 6.4283 6.4283 6.4283 10.2376 10.2376 10.2376 10.2376 k =-0.0536 0.0209 0.7304 ( 4498 PWs) bands (ev): -7.9574 -7.9574 -7.9574 -7.9574 -7.8973 -7.8973 -7.8973 -7.8973 -7.5102 -7.5102 -7.5102 -7.5102 -7.4256 -7.4256 -7.4256 -7.4256 -7.3674 -7.3674 -7.3674 -7.3674 0.6227 0.6227 0.6227 0.6227 4.9624 4.9624 4.9624 4.9624 5.5440 5.5440 5.5440 5.5440 6.4256 6.4256 6.4256 6.4256 10.2441 10.2441 10.2441 10.2441 k =-0.0714 0.0279 0.7304 ( 4510 PWs) bands (ev): -7.9574 -7.9574 -7.9574 -7.9574 -7.8974 -7.8974 -7.8974 -7.8974 -7.5102 -7.5102 -7.5102 -7.5102 -7.4257 -7.4257 -7.4257 -7.4257 -7.3674 -7.3674 -7.3674 -7.3674 0.6269 0.6269 0.6269 0.6269 4.9537 4.9537 4.9537 4.9537 5.5549 5.5549 5.5549 5.5549 6.4226 6.4226 6.4226 6.4226 10.2227 10.2227 10.2227 10.2227 k =-0.0893 0.0349 0.7304 ( 4502 PWs) bands (ev): -7.9574 -7.9574 -7.9574 -7.9574 -7.8975 -7.8975 -7.8975 -7.8975 -7.5102 -7.5102 -7.5102 -7.5102 -7.4257 -7.4257 -7.4257 -7.4257 -7.3674 -7.3674 -7.3674 -7.3674 0.6321 0.6321 0.6321 0.6321 4.9421 4.9421 4.9421 4.9421 5.5689 5.5689 5.5689 5.5689 6.4199 6.4199 6.4199 6.4199 10.1586 10.1586 10.1586 10.1586 k =-0.1071 0.0418 0.7304 ( 4498 PWs) bands (ev): -7.9573 -7.9573 -7.9573 -7.9573 -7.8975 -7.8975 -7.8975 -7.8975 -7.5102 -7.5102 -7.5102 -7.5102 -7.4258 -7.4258 -7.4258 -7.4258 -7.3674 -7.3674 -7.3674 -7.3674 0.6385 0.6385 0.6385 0.6385 4.9275 4.9275 4.9275 4.9275 5.5858 5.5858 5.5858 5.5858 6.4184 6.4184 6.4184 6.4184 10.0759 10.0759 10.0759 10.0759 k =-0.1250 0.0488 0.7304 ( 4496 PWs) bands (ev): -7.9573 -7.9573 -7.9573 -7.9573 -7.8976 -7.8976 -7.8976 -7.8976 -7.5101 -7.5101 -7.5101 -7.5101 -7.4258 -7.4258 -7.4258 -7.4258 -7.3673 -7.3673 -7.3673 -7.3673 0.6458 0.6458 0.6458 0.6458 4.9098 4.9098 4.9098 4.9098 5.6057 5.6057 5.6057 5.6057 6.4189 6.4189 6.4189 6.4189 9.9831 9.9831 9.9831 9.9831 k =-0.1429 0.0558 0.7304 ( 4492 PWs) bands (ev): -7.9572 -7.9572 -7.9572 -7.9572 -7.8977 -7.8977 -7.8977 -7.8977 -7.5101 -7.5101 -7.5101 -7.5101 -7.4259 -7.4259 -7.4259 -7.4259 -7.3673 -7.3673 -7.3673 -7.3673 0.6541 0.6541 0.6541 0.6541 4.8888 4.8888 4.8888 4.8888 5.6285 5.6285 5.6285 5.6285 6.4220 6.4220 6.4220 6.4220 9.8833 9.8833 9.8833 9.8833 k =-0.1607 0.0627 0.7304 ( 4498 PWs) bands (ev): -7.9572 -7.9572 -7.9572 -7.9572 -7.8978 -7.8978 -7.8978 -7.8978 -7.5100 -7.5100 -7.5100 -7.5100 -7.4260 -7.4260 -7.4260 -7.4260 -7.3673 -7.3673 -7.3673 -7.3673 0.6633 0.6633 0.6633 0.6633 4.8646 4.8646 4.8646 4.8646 5.6540 5.6540 5.6540 5.6540 6.4285 6.4285 6.4285 6.4285 9.7787 9.7787 9.7787 9.7787 k =-0.1786 0.0697 0.7304 ( 4488 PWs) bands (ev): -7.9571 -7.9571 -7.9571 -7.9571 -7.8978 -7.8978 -7.8978 -7.8978 -7.5100 -7.5100 -7.5100 -7.5100 -7.4260 -7.4260 -7.4260 -7.4260 -7.3672 -7.3672 -7.3672 -7.3672 0.6733 0.6733 0.6733 0.6733 4.8373 4.8373 4.8373 4.8373 5.6821 5.6821 5.6821 5.6821 6.4389 6.4389 6.4389 6.4389 9.6707 9.6707 9.6707 9.6707 k =-0.1964 0.0767 0.7304 ( 4486 PWs) bands (ev): -7.9571 -7.9571 -7.9571 -7.9571 -7.8979 -7.8979 -7.8979 -7.8979 -7.5099 -7.5099 -7.5099 -7.5099 -7.4260 -7.4260 -7.4260 -7.4260 -7.3672 -7.3672 -7.3672 -7.3672 0.6840 0.6840 0.6840 0.6840 4.8070 4.8070 4.8070 4.8070 5.7127 5.7127 5.7127 5.7127 6.4536 6.4536 6.4536 6.4536 9.5609 9.5609 9.5609 9.5609 k =-0.2143 0.0837 0.7304 ( 4490 PWs) bands (ev): -7.9570 -7.9570 -7.9570 -7.9570 -7.8981 -7.8981 -7.8981 -7.8981 -7.5099 -7.5099 -7.5099 -7.5099 -7.4261 -7.4261 -7.4261 -7.4261 -7.3671 -7.3671 -7.3671 -7.3671 0.6953 0.6953 0.6953 0.6953 4.7742 4.7742 4.7742 4.7742 5.7456 5.7456 5.7456 5.7456 6.4729 6.4729 6.4729 6.4729 9.4503 9.4503 9.4503 9.4503 k =-0.2321 0.0906 0.7304 ( 4486 PWs) bands (ev): -7.9570 -7.9570 -7.9570 -7.9570 -7.8982 -7.8982 -7.8982 -7.8982 -7.5099 -7.5099 -7.5099 -7.5099 -7.4262 -7.4262 -7.4262 -7.4262 -7.3671 -7.3671 -7.3671 -7.3671 0.7070 0.7070 0.7070 0.7070 4.7393 4.7393 4.7393 4.7393 5.7806 5.7806 5.7806 5.7806 6.4967 6.4967 6.4967 6.4967 9.3399 9.3399 9.3399 9.3399 k =-0.2500 0.0976 0.7304 ( 4492 PWs) bands (ev): -7.9570 -7.9570 -7.9570 -7.9570 -7.8983 -7.8983 -7.8983 -7.8983 -7.5098 -7.5098 -7.5098 -7.5098 -7.4263 -7.4263 -7.4263 -7.4263 -7.3671 -7.3671 -7.3671 -7.3671 0.7190 0.7190 0.7190 0.7190 4.7029 4.7029 4.7029 4.7029 5.8175 5.8175 5.8175 5.8175 6.5250 6.5250 6.5250 6.5250 9.2306 9.2306 9.2306 9.2306 k =-0.2679 0.1046 0.7304 ( 4484 PWs) bands (ev): -7.9569 -7.9569 -7.9569 -7.9569 -7.8984 -7.8984 -7.8984 -7.8984 -7.5098 -7.5098 -7.5098 -7.5098 -7.4263 -7.4263 -7.4263 -7.4263 -7.3670 -7.3670 -7.3670 -7.3670 0.7313 0.7313 0.7313 0.7313 4.6654 4.6654 4.6654 4.6654 5.8559 5.8559 5.8559 5.8559 6.5575 6.5575 6.5575 6.5575 9.1231 9.1231 9.1231 9.1231 k =-0.2857 0.1116 0.7304 ( 4486 PWs) bands (ev): -7.9568 -7.9568 -7.9568 -7.9568 -7.8985 -7.8985 -7.8985 -7.8985 -7.5097 -7.5097 -7.5097 -7.5097 -7.4264 -7.4264 -7.4264 -7.4264 -7.3670 -7.3670 -7.3670 -7.3670 0.7435 0.7435 0.7435 0.7435 4.6276 4.6276 4.6276 4.6276 5.8956 5.8956 5.8956 5.8956 6.5938 6.5938 6.5938 6.5938 9.0183 9.0183 9.0183 9.0183 k =-0.3036 0.1185 0.7304 ( 4486 PWs) bands (ev): -7.9568 -7.9568 -7.9568 -7.9568 -7.8986 -7.8986 -7.8986 -7.8986 -7.5097 -7.5097 -7.5097 -7.5097 -7.4265 -7.4265 -7.4265 -7.4265 -7.3669 -7.3669 -7.3669 -7.3669 0.7557 0.7557 0.7557 0.7557 4.5900 4.5900 4.5900 4.5900 5.9361 5.9361 5.9361 5.9361 6.6333 6.6333 6.6333 6.6333 8.9169 8.9169 8.9169 8.9169 k =-0.3214 0.1255 0.7304 ( 4486 PWs) bands (ev): -7.9567 -7.9567 -7.9567 -7.9567 -7.8988 -7.8988 -7.8988 -7.8988 -7.5097 -7.5097 -7.5097 -7.5097 -7.4265 -7.4265 -7.4265 -7.4265 -7.3669 -7.3669 -7.3669 -7.3669 0.7675 0.7675 0.7675 0.7675 4.5533 4.5533 4.5533 4.5533 5.9770 5.9770 5.9770 5.9770 6.6754 6.6754 6.6754 6.6754 8.8196 8.8196 8.8196 8.8196 k =-0.3393 0.1325 0.7304 ( 4480 PWs) bands (ev): -7.9566 -7.9566 -7.9566 -7.9566 -7.8988 -7.8988 -7.8988 -7.8988 -7.5096 -7.5096 -7.5096 -7.5096 -7.4266 -7.4266 -7.4266 -7.4266 -7.3669 -7.3669 -7.3669 -7.3669 0.7789 0.7789 0.7789 0.7789 4.5181 4.5181 4.5181 4.5181 6.0177 6.0177 6.0177 6.0177 6.7192 6.7192 6.7192 6.7192 8.7273 8.7273 8.7273 8.7273 k =-0.3571 0.1394 0.7304 ( 4478 PWs) bands (ev): -7.9566 -7.9566 -7.9566 -7.9566 -7.8989 -7.8989 -7.8989 -7.8989 -7.5096 -7.5096 -7.5096 -7.5096 -7.4266 -7.4266 -7.4266 -7.4266 -7.3668 -7.3668 -7.3668 -7.3668 0.7897 0.7897 0.7897 0.7897 4.4850 4.4850 4.4850 4.4850 6.0576 6.0576 6.0576 6.0576 6.7640 6.7640 6.7640 6.7640 8.6407 8.6407 8.6407 8.6407 k =-0.3750 0.1464 0.7304 ( 4478 PWs) bands (ev): -7.9565 -7.9565 -7.9565 -7.9565 -7.8990 -7.8990 -7.8990 -7.8990 -7.5095 -7.5095 -7.5095 -7.5095 -7.4267 -7.4267 -7.4267 -7.4267 -7.3668 -7.3668 -7.3668 -7.3668 0.7997 0.7997 0.7997 0.7997 4.4544 4.4544 4.4544 4.4544 6.0960 6.0960 6.0960 6.0960 6.8085 6.8085 6.8085 6.8085 8.5608 8.5608 8.5608 8.5608 k =-0.3929 0.1534 0.7304 ( 4470 PWs) bands (ev): -7.9565 -7.9565 -7.9565 -7.9565 -7.8991 -7.8991 -7.8991 -7.8991 -7.5095 -7.5095 -7.5095 -7.5095 -7.4267 -7.4267 -7.4267 -7.4267 -7.3667 -7.3667 -7.3667 -7.3667 0.8087 0.8087 0.8087 0.8087 4.4269 4.4269 4.4269 4.4269 6.1321 6.1321 6.1321 6.1321 6.8516 6.8516 6.8516 6.8516 8.4886 8.4886 8.4886 8.4886 k =-0.4107 0.1604 0.7304 ( 4466 PWs) bands (ev): -7.9564 -7.9564 -7.9564 -7.9564 -7.8991 -7.8991 -7.8991 -7.8991 -7.5095 -7.5095 -7.5095 -7.5095 -7.4267 -7.4267 -7.4267 -7.4267 -7.3667 -7.3667 -7.3667 -7.3667 0.8167 0.8167 0.8167 0.8167 4.4029 4.4029 4.4029 4.4029 6.1649 6.1649 6.1649 6.1649 6.8919 6.8919 6.8919 6.8919 8.4250 8.4250 8.4250 8.4250 k =-0.4286 0.1673 0.7304 ( 4462 PWs) bands (ev): -7.9564 -7.9564 -7.9564 -7.9564 -7.8991 -7.8991 -7.8991 -7.8991 -7.5094 -7.5094 -7.5094 -7.5094 -7.4267 -7.4267 -7.4267 -7.4267 -7.3667 -7.3667 -7.3667 -7.3667 0.8234 0.8234 0.8234 0.8234 4.3827 4.3827 4.3827 4.3827 6.1935 6.1935 6.1935 6.1935 6.9279 6.9279 6.9279 6.9279 8.3710 8.3710 8.3710 8.3710 k =-0.4464 0.1743 0.7304 ( 4462 PWs) bands (ev): -7.9564 -7.9564 -7.9564 -7.9564 -7.8992 -7.8992 -7.8992 -7.8992 -7.5094 -7.5094 -7.5094 -7.5094 -7.4267 -7.4267 -7.4267 -7.4267 -7.3667 -7.3667 -7.3667 -7.3667 0.8287 0.8287 0.8287 0.8287 4.3667 4.3667 4.3667 4.3667 6.2171 6.2171 6.2171 6.2171 6.9580 6.9580 6.9580 6.9580 8.3277 8.3277 8.3277 8.3277 k =-0.4643 0.1813 0.7304 ( 4460 PWs) bands (ev): -7.9564 -7.9564 -7.9564 -7.9564 -7.8992 -7.8992 -7.8992 -7.8992 -7.5094 -7.5094 -7.5094 -7.5094 -7.4268 -7.4268 -7.4268 -7.4268 -7.3667 -7.3667 -7.3667 -7.3667 0.8326 0.8326 0.8326 0.8326 4.3551 4.3551 4.3551 4.3551 6.2346 6.2346 6.2346 6.2346 6.9809 6.9809 6.9809 6.9809 8.2960 8.2960 8.2960 8.2960 k =-0.4821 0.1882 0.7304 ( 4460 PWs) bands (ev): -7.9563 -7.9563 -7.9563 -7.9563 -7.8992 -7.8992 -7.8992 -7.8992 -7.5094 -7.5094 -7.5094 -7.5094 -7.4268 -7.4268 -7.4268 -7.4268 -7.3667 -7.3667 -7.3667 -7.3667 0.8350 0.8350 0.8350 0.8350 4.3481 4.3481 4.3481 4.3481 6.2454 6.2454 6.2454 6.2454 6.9951 6.9951 6.9951 6.9951 8.2767 8.2767 8.2767 8.2767 k =-0.5000 0.1952 0.7304 ( 4460 PWs) bands (ev): -7.9563 -7.9563 -7.9563 -7.9563 -7.8992 -7.8992 -7.8992 -7.8992 -7.5094 -7.5094 -7.5094 -7.5094 -7.4268 -7.4268 -7.4268 -7.4268 -7.3667 -7.3667 -7.3667 -7.3667 0.8358 0.8358 0.8358 0.8358 4.3458 4.3458 4.3458 4.3458 6.2491 6.2491 6.2491 6.2491 7.0000 7.0000 7.0000 7.0000 8.2702 8.2702 8.2702 8.2702 Writing output data file LaGa.save init_run : 3.19s CPU 13.22s WALL ( 1 calls) electrons : 709.14s CPU 717.27s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.21s CPU 1.27s WALL ( 1 calls) Called by electrons: c_bands : 709.09s CPU 716.92s WALL ( 1 calls) v_of_rho : 0.06s CPU 0.75s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.06s CPU 0.48s WALL ( 1 calls) newd : 0.34s CPU 0.51s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.08s WALL ( 388 calls) cegterg : 636.00s CPU 640.58s WALL ( 1098 calls) Called by sum_band: Called by *egterg: h_psi : 334.27s CPU 344.77s WALL ( 19904 calls) s_psi : 23.72s CPU 24.27s WALL ( 19904 calls) g_psi : 0.76s CPU 0.83s WALL ( 18418 calls) cdiaghg : 199.34s CPU 195.75s WALL ( 18806 calls) cegterg:over : 53.35s CPU 48.30s WALL ( 18418 calls) cegterg:upda : 8.93s CPU 14.08s WALL ( 18418 calls) cegterg:last : 8.35s CPU 9.53s WALL ( 2921 calls) Called by h_psi: h_psi:vloc : 269.40s CPU 278.57s WALL ( 19904 calls) h_psi:vnl : 64.58s CPU 65.34s WALL ( 19904 calls) add_vuspsi : 20.96s CPU 26.32s WALL ( 19904 calls) General routines calbec : 43.55s CPU 38.87s WALL ( 19904 calls) fft : 0.47s CPU 1.17s WALL ( 19 calls) ffts : 0.01s CPU 0.01s WALL ( 4 calls) fftw : 258.02s CPU 265.06s WALL ( 1441748 calls) interpolate : 0.02s CPU 0.03s WALL ( 4 calls) davcio : 0.03s CPU 2.29s WALL ( 776 calls) Parallel routines fft_scatter : 154.60s CPU 158.04s WALL ( 1441771 calls) PWSCF : 12m44.81s CPU 14m17.05s WALL This run was terminated on: 7:15:54 21Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=