Program PWSCF v.5.1.1 starts on 16Jul2015 at 16:10:51 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 32 processors R & G space division: proc/nbgrp/npool/nimage = 32 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: ./CaBr2.save/ file Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 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 69 50 14 3171 1968 304 Max 70 51 15 3176 1987 309 Sum 2231 1621 457 101555 63339 9771 bravais-lattice index = 14 lattice parameter (alat) = 8.2052 a.u. unit-cell volume = 1325.5499 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 274.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.205190 celldm(2)= 1.516352 celldm(3)= 1.582450 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.516352 0.000000 ) a(3) = ( 0.000000 0.000000 1.582450 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.659478 -0.000000 ) b(3) = ( 0.000000 0.000000 0.631931 ) PseudoPot. # 1 for Br read from file: /home/autes/Pseudo/Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5d639767687de88634f0d235e6526498 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1213 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ca read from file: /home/autes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 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 Br 7.00 79.90400 Br( 1.00) Ca 10.00 40.07800 Ca( 1.00) 4 Sym. Ops., with inversion, found (note: 4 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) 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= 348 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 2) = ( 0.0135135 -0.0000000 -0.0000000), wk = 0.0028736 k( 3) = ( 0.0270270 -0.0000000 -0.0000000), wk = 0.0028736 k( 4) = ( 0.0405405 -0.0000000 -0.0000000), wk = 0.0028736 k( 5) = ( 0.0540540 -0.0000000 -0.0000000), wk = 0.0028736 k( 6) = ( 0.0675676 -0.0000000 -0.0000000), wk = 0.0028736 k( 7) = ( 0.0810811 -0.0000000 -0.0000000), wk = 0.0028736 k( 8) = ( 0.0945946 -0.0000000 -0.0000000), wk = 0.0028736 k( 9) = ( 0.1081081 -0.0000000 -0.0000000), wk = 0.0028736 k( 10) = ( 0.1216216 -0.0000000 -0.0000000), wk = 0.0028736 k( 11) = ( 0.1351351 -0.0000000 -0.0000000), wk = 0.0028736 k( 12) = ( 0.1486486 -0.0000000 -0.0000000), wk = 0.0028736 k( 13) = ( 0.1621622 -0.0000000 -0.0000000), wk = 0.0028736 k( 14) = ( 0.1756757 -0.0000000 -0.0000000), wk = 0.0028736 k( 15) = ( 0.1891892 -0.0000000 -0.0000000), wk = 0.0028736 k( 16) = ( 0.2027027 -0.0000000 -0.0000000), wk = 0.0028736 k( 17) = ( 0.2162162 -0.0000000 -0.0000000), wk = 0.0028736 k( 18) = ( 0.2297297 -0.0000000 -0.0000000), wk = 0.0028736 k( 19) = ( 0.2432432 -0.0000000 -0.0000000), wk = 0.0028736 k( 20) = ( 0.2567568 -0.0000000 -0.0000000), wk = 0.0028736 k( 21) = ( 0.2702703 -0.0000000 -0.0000000), wk = 0.0028736 k( 22) = ( 0.2837838 -0.0000000 -0.0000000), wk = 0.0028736 k( 23) = ( 0.2972973 -0.0000000 -0.0000000), wk = 0.0028736 k( 24) = ( 0.3108108 -0.0000000 -0.0000000), wk = 0.0028736 k( 25) = ( 0.3243243 -0.0000000 -0.0000000), wk = 0.0028736 k( 26) = ( 0.3378378 -0.0000000 -0.0000000), wk = 0.0028736 k( 27) = ( 0.3513514 -0.0000000 -0.0000000), wk = 0.0028736 k( 28) = ( 0.3648649 -0.0000000 -0.0000000), wk = 0.0028736 k( 29) = ( 0.3783784 -0.0000000 -0.0000000), wk = 0.0028736 k( 30) = ( 0.3918919 -0.0000000 -0.0000000), wk = 0.0028736 k( 31) = ( 0.4054054 -0.0000000 -0.0000000), wk = 0.0028736 k( 32) = ( 0.4189189 -0.0000000 -0.0000000), wk = 0.0028736 k( 33) = ( 0.4324324 -0.0000000 -0.0000000), wk = 0.0028736 k( 34) = ( 0.4459459 -0.0000000 -0.0000000), wk = 0.0028736 k( 35) = ( 0.4594595 -0.0000000 -0.0000000), wk = 0.0028736 k( 36) = ( 0.4729730 -0.0000000 -0.0000000), wk = 0.0028736 k( 37) = ( 0.4864865 -0.0000000 -0.0000000), wk = 0.0028736 k( 38) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0028736 k( 39) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0028736 k( 40) = ( 0.5000000 0.0137391 -0.0000000), wk = 0.0028736 k( 41) = ( 0.5000000 0.0274782 -0.0000000), wk = 0.0028736 k( 42) = ( 0.5000000 0.0412173 -0.0000000), wk = 0.0028736 k( 43) = ( 0.5000000 0.0549565 -0.0000000), wk = 0.0028736 k( 44) = ( 0.5000000 0.0686956 -0.0000000), wk = 0.0028736 k( 45) = ( 0.5000000 0.0824347 -0.0000000), wk = 0.0028736 k( 46) = ( 0.5000000 0.0961738 -0.0000000), wk = 0.0028736 k( 47) = ( 0.5000000 0.1099129 -0.0000000), wk = 0.0028736 k( 48) = ( 0.5000000 0.1236520 -0.0000000), wk = 0.0028736 k( 49) = ( 0.5000000 0.1373911 -0.0000000), wk = 0.0028736 k( 50) = ( 0.5000000 0.1511303 -0.0000000), wk = 0.0028736 k( 51) = ( 0.5000000 0.1648694 -0.0000000), wk = 0.0028736 k( 52) = ( 0.5000000 0.1786085 -0.0000000), wk = 0.0028736 k( 53) = ( 0.5000000 0.1923476 -0.0000000), wk = 0.0028736 k( 54) = ( 0.5000000 0.2060867 -0.0000000), wk = 0.0028736 k( 55) = ( 0.5000000 0.2198258 -0.0000000), wk = 0.0028736 k( 56) = ( 0.5000000 0.2335650 -0.0000000), wk = 0.0028736 k( 57) = ( 0.5000000 0.2473041 -0.0000000), wk = 0.0028736 k( 58) = ( 0.5000000 0.2610432 -0.0000000), wk = 0.0028736 k( 59) = ( 0.5000000 0.2747823 -0.0000000), wk = 0.0028736 k( 60) = ( 0.5000000 0.2885214 -0.0000000), wk = 0.0028736 k( 61) = ( 0.5000000 0.3022605 -0.0000000), wk = 0.0028736 k( 62) = ( 0.5000000 0.3159996 -0.0000000), wk = 0.0028736 k( 63) = ( 0.5000000 0.3297388 -0.0000000), wk = 0.0028736 k( 64) = ( 0.5000000 0.3297388 -0.0000000), wk = 0.0028736 k( 65) = ( 0.4864865 0.3297388 -0.0000000), wk = 0.0028736 k( 66) = ( 0.4729730 0.3297388 -0.0000000), wk = 0.0028736 k( 67) = ( 0.4594595 0.3297388 -0.0000000), wk = 0.0028736 k( 68) = ( 0.4459459 0.3297388 -0.0000000), wk = 0.0028736 k( 69) = ( 0.4324324 0.3297388 -0.0000000), wk = 0.0028736 k( 70) = ( 0.4189189 0.3297388 -0.0000000), wk = 0.0028736 k( 71) = ( 0.4054054 0.3297388 -0.0000000), wk = 0.0028736 k( 72) = ( 0.3918919 0.3297388 -0.0000000), wk = 0.0028736 k( 73) = ( 0.3783784 0.3297388 -0.0000000), wk = 0.0028736 k( 74) = ( 0.3648649 0.3297388 -0.0000000), wk = 0.0028736 k( 75) = ( 0.3513514 0.3297388 -0.0000000), wk = 0.0028736 k( 76) = ( 0.3378378 0.3297388 -0.0000000), wk = 0.0028736 k( 77) = ( 0.3243243 0.3297388 -0.0000000), wk = 0.0028736 k( 78) = ( 0.3108108 0.3297388 -0.0000000), wk = 0.0028736 k( 79) = ( 0.2972973 0.3297388 -0.0000000), wk = 0.0028736 k( 80) = ( 0.2837838 0.3297388 -0.0000000), wk = 0.0028736 k( 81) = ( 0.2702703 0.3297388 -0.0000000), wk = 0.0028736 k( 82) = ( 0.2567568 0.3297388 -0.0000000), wk = 0.0028736 k( 83) = ( 0.2432432 0.3297388 -0.0000000), wk = 0.0028736 k( 84) = ( 0.2297297 0.3297388 -0.0000000), wk = 0.0028736 k( 85) = ( 0.2162162 0.3297388 -0.0000000), wk = 0.0028736 k( 86) = ( 0.2027027 0.3297388 -0.0000000), wk = 0.0028736 k( 87) = ( 0.1891892 0.3297388 -0.0000000), wk = 0.0028736 k( 88) = ( 0.1756757 0.3297388 -0.0000000), wk = 0.0028736 k( 89) = ( 0.1621622 0.3297388 -0.0000000), wk = 0.0028736 k( 90) = ( 0.1486486 0.3297388 -0.0000000), wk = 0.0028736 k( 91) = ( 0.1351351 0.3297388 -0.0000000), wk = 0.0028736 k( 92) = ( 0.1216216 0.3297388 -0.0000000), wk = 0.0028736 k( 93) = ( 0.1081081 0.3297388 -0.0000000), wk = 0.0028736 k( 94) = ( 0.0945946 0.3297388 -0.0000000), wk = 0.0028736 k( 95) = ( 0.0810811 0.3297388 -0.0000000), wk = 0.0028736 k( 96) = ( 0.0675676 0.3297388 -0.0000000), wk = 0.0028736 k( 97) = ( 0.0540540 0.3297388 -0.0000000), wk = 0.0028736 k( 98) = ( 0.0405405 0.3297388 -0.0000000), wk = 0.0028736 k( 99) = ( 0.0270270 0.3297388 -0.0000000), wk = 0.0028736 k( 100) = ( 0.0135135 0.3297388 -0.0000000), wk = 0.0028736 k( 101) = ( 0.0000000 0.3297388 -0.0000000), wk = 0.0028736 k( 102) = ( 0.0000000 0.3297388 -0.0000000), wk = 0.0028736 k( 103) = ( 0.0000000 0.3159996 -0.0000000), wk = 0.0028736 k( 104) = ( 0.0000000 0.3022605 -0.0000000), wk = 0.0028736 k( 105) = ( 0.0000000 0.2885214 -0.0000000), wk = 0.0028736 k( 106) = ( 0.0000000 0.2747823 -0.0000000), wk = 0.0028736 k( 107) = ( 0.0000000 0.2610432 -0.0000000), wk = 0.0028736 k( 108) = ( 0.0000000 0.2473041 -0.0000000), wk = 0.0028736 k( 109) = ( 0.0000000 0.2335650 -0.0000000), wk = 0.0028736 k( 110) = ( 0.0000000 0.2198258 -0.0000000), wk = 0.0028736 k( 111) = ( 0.0000000 0.2060867 -0.0000000), wk = 0.0028736 k( 112) = ( 0.0000000 0.1923476 -0.0000000), wk = 0.0028736 k( 113) = ( 0.0000000 0.1786085 -0.0000000), wk = 0.0028736 k( 114) = ( 0.0000000 0.1648694 -0.0000000), wk = 0.0028736 k( 115) = ( 0.0000000 0.1511303 -0.0000000), wk = 0.0028736 k( 116) = ( 0.0000000 0.1373911 -0.0000000), wk = 0.0028736 k( 117) = ( 0.0000000 0.1236520 -0.0000000), wk = 0.0028736 k( 118) = ( 0.0000000 0.1099129 -0.0000000), wk = 0.0028736 k( 119) = ( 0.0000000 0.0961738 -0.0000000), wk = 0.0028736 k( 120) = ( 0.0000000 0.0824347 -0.0000000), wk = 0.0028736 k( 121) = ( 0.0000000 0.0686956 -0.0000000), wk = 0.0028736 k( 122) = ( 0.0000000 0.0549565 -0.0000000), wk = 0.0028736 k( 123) = ( 0.0000000 0.0412173 -0.0000000), wk = 0.0028736 k( 124) = ( 0.0000000 0.0274782 -0.0000000), wk = 0.0028736 k( 125) = ( 0.0000000 0.0137391 -0.0000000), wk = 0.0028736 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 127) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 128) = ( 0.0000000 0.0000000 0.0137376), wk = 0.0028736 k( 129) = ( 0.0000000 0.0000000 0.0274753), wk = 0.0028736 k( 130) = ( 0.0000000 0.0000000 0.0412129), wk = 0.0028736 k( 131) = ( 0.0000000 0.0000000 0.0549505), wk = 0.0028736 k( 132) = ( 0.0000000 0.0000000 0.0686882), wk = 0.0028736 k( 133) = ( 0.0000000 0.0000000 0.0824258), wk = 0.0028736 k( 134) = ( 0.0000000 0.0000000 0.0961635), wk = 0.0028736 k( 135) = ( 0.0000000 0.0000000 0.1099011), wk = 0.0028736 k( 136) = ( 0.0000000 0.0000000 0.1236387), wk = 0.0028736 k( 137) = ( 0.0000000 0.0000000 0.1373764), wk = 0.0028736 k( 138) = ( 0.0000000 0.0000000 0.1511140), wk = 0.0028736 k( 139) = ( 0.0000000 0.0000000 0.1648516), wk = 0.0028736 k( 140) = ( 0.0000000 0.0000000 0.1785893), wk = 0.0028736 k( 141) = ( 0.0000000 0.0000000 0.1923269), wk = 0.0028736 k( 142) = ( 0.0000000 0.0000000 0.2060646), wk = 0.0028736 k( 143) = ( 0.0000000 0.0000000 0.2198022), wk = 0.0028736 k( 144) = ( 0.0000000 0.0000000 0.2335398), wk = 0.0028736 k( 145) = ( 0.0000000 0.0000000 0.2472775), wk = 0.0028736 k( 146) = ( 0.0000000 0.0000000 0.2610151), wk = 0.0028736 k( 147) = ( 0.0000000 0.0000000 0.2747527), wk = 0.0028736 k( 148) = ( 0.0000000 0.0000000 0.2884904), wk = 0.0028736 k( 149) = ( 0.0000000 0.0000000 0.3022280), wk = 0.0028736 k( 150) = ( 0.0000000 0.0000000 0.3159657), wk = 0.0028736 k( 151) = ( 0.0000000 0.0000000 0.3159657), wk = 0.0028736 k( 152) = ( 0.0135135 -0.0000000 0.3159657), wk = 0.0028736 k( 153) = ( 0.0270270 -0.0000000 0.3159657), wk = 0.0028736 k( 154) = ( 0.0405405 -0.0000000 0.3159657), wk = 0.0028736 k( 155) = ( 0.0540540 -0.0000000 0.3159657), wk = 0.0028736 k( 156) = ( 0.0675676 -0.0000000 0.3159657), wk = 0.0028736 k( 157) = ( 0.0810811 -0.0000000 0.3159657), wk = 0.0028736 k( 158) = ( 0.0945946 -0.0000000 0.3159657), wk = 0.0028736 k( 159) = ( 0.1081081 -0.0000000 0.3159657), wk = 0.0028736 k( 160) = ( 0.1216216 -0.0000000 0.3159657), wk = 0.0028736 k( 161) = ( 0.1351351 -0.0000000 0.3159657), wk = 0.0028736 k( 162) = ( 0.1486486 -0.0000000 0.3159657), wk = 0.0028736 k( 163) = ( 0.1621622 -0.0000000 0.3159657), wk = 0.0028736 k( 164) = ( 0.1756757 -0.0000000 0.3159657), wk = 0.0028736 k( 165) = ( 0.1891892 -0.0000000 0.3159657), wk = 0.0028736 k( 166) = ( 0.2027027 -0.0000000 0.3159657), wk = 0.0028736 k( 167) = ( 0.2162162 -0.0000000 0.3159657), wk = 0.0028736 k( 168) = ( 0.2297297 -0.0000000 0.3159657), wk = 0.0028736 k( 169) = ( 0.2432432 -0.0000000 0.3159657), wk = 0.0028736 k( 170) = ( 0.2567568 -0.0000000 0.3159657), wk = 0.0028736 k( 171) = ( 0.2702703 -0.0000000 0.3159657), wk = 0.0028736 k( 172) = ( 0.2837838 -0.0000000 0.3159657), wk = 0.0028736 k( 173) = ( 0.2972973 -0.0000000 0.3159657), wk = 0.0028736 k( 174) = ( 0.3108108 -0.0000000 0.3159657), wk = 0.0028736 k( 175) = ( 0.3243243 -0.0000000 0.3159657), wk = 0.0028736 k( 176) = ( 0.3378378 -0.0000000 0.3159657), wk = 0.0028736 k( 177) = ( 0.3513514 -0.0000000 0.3159657), wk = 0.0028736 k( 178) = ( 0.3648649 -0.0000000 0.3159657), wk = 0.0028736 k( 179) = ( 0.3783784 -0.0000000 0.3159657), wk = 0.0028736 k( 180) = ( 0.3918919 -0.0000000 0.3159657), wk = 0.0028736 k( 181) = ( 0.4054054 -0.0000000 0.3159657), wk = 0.0028736 k( 182) = ( 0.4189189 -0.0000000 0.3159657), wk = 0.0028736 k( 183) = ( 0.4324324 -0.0000000 0.3159657), wk = 0.0028736 k( 184) = ( 0.4459459 -0.0000000 0.3159657), wk = 0.0028736 k( 185) = ( 0.4594595 -0.0000000 0.3159657), wk = 0.0028736 k( 186) = ( 0.4729730 -0.0000000 0.3159657), wk = 0.0028736 k( 187) = ( 0.4864865 -0.0000000 0.3159657), wk = 0.0028736 k( 188) = ( 0.5000000 -0.0000000 0.3159657), wk = 0.0028736 k( 189) = ( 0.5000000 -0.0000000 0.3159657), wk = 0.0028736 k( 190) = ( 0.5000000 0.0137391 0.3159657), wk = 0.0028736 k( 191) = ( 0.5000000 0.0274782 0.3159657), wk = 0.0028736 k( 192) = ( 0.5000000 0.0412173 0.3159657), wk = 0.0028736 k( 193) = ( 0.5000000 0.0549565 0.3159657), wk = 0.0028736 k( 194) = ( 0.5000000 0.0686956 0.3159657), wk = 0.0028736 k( 195) = ( 0.5000000 0.0824347 0.3159657), wk = 0.0028736 k( 196) = ( 0.5000000 0.0961738 0.3159657), wk = 0.0028736 k( 197) = ( 0.5000000 0.1099129 0.3159657), wk = 0.0028736 k( 198) = ( 0.5000000 0.1236520 0.3159657), wk = 0.0028736 k( 199) = ( 0.5000000 0.1373911 0.3159657), wk = 0.0028736 k( 200) = ( 0.5000000 0.1511303 0.3159657), wk = 0.0028736 k( 201) = ( 0.5000000 0.1648694 0.3159657), wk = 0.0028736 k( 202) = ( 0.5000000 0.1786085 0.3159657), wk = 0.0028736 k( 203) = ( 0.5000000 0.1923476 0.3159657), wk = 0.0028736 k( 204) = ( 0.5000000 0.2060867 0.3159657), wk = 0.0028736 k( 205) = ( 0.5000000 0.2198258 0.3159657), wk = 0.0028736 k( 206) = ( 0.5000000 0.2335650 0.3159657), wk = 0.0028736 k( 207) = ( 0.5000000 0.2473041 0.3159657), wk = 0.0028736 k( 208) = ( 0.5000000 0.2610432 0.3159657), wk = 0.0028736 k( 209) = ( 0.5000000 0.2747823 0.3159657), wk = 0.0028736 k( 210) = ( 0.5000000 0.2885214 0.3159657), wk = 0.0028736 k( 211) = ( 0.5000000 0.3022605 0.3159657), wk = 0.0028736 k( 212) = ( 0.5000000 0.3159996 0.3159657), wk = 0.0028736 k( 213) = ( 0.5000000 0.3297388 0.3159657), wk = 0.0028736 k( 214) = ( 0.5000000 0.3297388 0.3159657), wk = 0.0028736 k( 215) = ( 0.4864865 0.3297388 0.3159657), wk = 0.0028736 k( 216) = ( 0.4729730 0.3297388 0.3159657), wk = 0.0028736 k( 217) = ( 0.4594595 0.3297388 0.3159657), wk = 0.0028736 k( 218) = ( 0.4459459 0.3297388 0.3159657), wk = 0.0028736 k( 219) = ( 0.4324324 0.3297388 0.3159657), wk = 0.0028736 k( 220) = ( 0.4189189 0.3297388 0.3159657), wk = 0.0028736 k( 221) = ( 0.4054054 0.3297388 0.3159657), wk = 0.0028736 k( 222) = ( 0.3918919 0.3297388 0.3159657), wk = 0.0028736 k( 223) = ( 0.3783784 0.3297388 0.3159657), wk = 0.0028736 k( 224) = ( 0.3648649 0.3297388 0.3159657), wk = 0.0028736 k( 225) = ( 0.3513514 0.3297388 0.3159657), wk = 0.0028736 k( 226) = ( 0.3378378 0.3297388 0.3159657), wk = 0.0028736 k( 227) = ( 0.3243243 0.3297388 0.3159657), wk = 0.0028736 k( 228) = ( 0.3108108 0.3297388 0.3159657), wk = 0.0028736 k( 229) = ( 0.2972973 0.3297388 0.3159657), wk = 0.0028736 k( 230) = ( 0.2837838 0.3297388 0.3159657), wk = 0.0028736 k( 231) = ( 0.2702703 0.3297388 0.3159657), wk = 0.0028736 k( 232) = ( 0.2567568 0.3297388 0.3159657), wk = 0.0028736 k( 233) = ( 0.2432432 0.3297388 0.3159657), wk = 0.0028736 k( 234) = ( 0.2297297 0.3297388 0.3159657), wk = 0.0028736 k( 235) = ( 0.2162162 0.3297388 0.3159657), wk = 0.0028736 k( 236) = ( 0.2027027 0.3297388 0.3159657), wk = 0.0028736 k( 237) = ( 0.1891892 0.3297388 0.3159657), wk = 0.0028736 k( 238) = ( 0.1756757 0.3297388 0.3159657), wk = 0.0028736 k( 239) = ( 0.1621622 0.3297388 0.3159657), wk = 0.0028736 k( 240) = ( 0.1486486 0.3297388 0.3159657), wk = 0.0028736 k( 241) = ( 0.1351351 0.3297388 0.3159657), wk = 0.0028736 k( 242) = ( 0.1216216 0.3297388 0.3159657), wk = 0.0028736 k( 243) = ( 0.1081081 0.3297388 0.3159657), wk = 0.0028736 k( 244) = ( 0.0945946 0.3297388 0.3159657), wk = 0.0028736 k( 245) = ( 0.0810811 0.3297388 0.3159657), wk = 0.0028736 k( 246) = ( 0.0675676 0.3297388 0.3159657), wk = 0.0028736 k( 247) = ( 0.0540540 0.3297388 0.3159657), wk = 0.0028736 k( 248) = ( 0.0405405 0.3297388 0.3159657), wk = 0.0028736 k( 249) = ( 0.0270270 0.3297388 0.3159657), wk = 0.0028736 k( 250) = ( 0.0135135 0.3297388 0.3159657), wk = 0.0028736 k( 251) = ( 0.0000000 0.3297388 0.3159657), wk = 0.0028736 k( 252) = ( 0.0000000 0.3297388 0.3159657), wk = 0.0028736 k( 253) = ( 0.0000000 0.3159996 0.3159657), wk = 0.0028736 k( 254) = ( 0.0000000 0.3022605 0.3159657), wk = 0.0028736 k( 255) = ( 0.0000000 0.2885214 0.3159657), wk = 0.0028736 k( 256) = ( 0.0000000 0.2747823 0.3159657), wk = 0.0028736 k( 257) = ( 0.0000000 0.2610432 0.3159657), wk = 0.0028736 k( 258) = ( 0.0000000 0.2473041 0.3159657), wk = 0.0028736 k( 259) = ( 0.0000000 0.2335650 0.3159657), wk = 0.0028736 k( 260) = ( 0.0000000 0.2198258 0.3159657), wk = 0.0028736 k( 261) = ( 0.0000000 0.2060867 0.3159657), wk = 0.0028736 k( 262) = ( 0.0000000 0.1923476 0.3159657), wk = 0.0028736 k( 263) = ( 0.0000000 0.1786085 0.3159657), wk = 0.0028736 k( 264) = ( 0.0000000 0.1648694 0.3159657), wk = 0.0028736 k( 265) = ( 0.0000000 0.1511303 0.3159657), wk = 0.0028736 k( 266) = ( 0.0000000 0.1373911 0.3159657), wk = 0.0028736 k( 267) = ( 0.0000000 0.1236520 0.3159657), wk = 0.0028736 k( 268) = ( 0.0000000 0.1099129 0.3159657), wk = 0.0028736 k( 269) = ( 0.0000000 0.0961738 0.3159657), wk = 0.0028736 k( 270) = ( 0.0000000 0.0824347 0.3159657), wk = 0.0028736 k( 271) = ( 0.0000000 0.0686956 0.3159657), wk = 0.0028736 k( 272) = ( 0.0000000 0.0549565 0.3159657), wk = 0.0028736 k( 273) = ( 0.0000000 0.0412173 0.3159657), wk = 0.0028736 k( 274) = ( 0.0000000 0.0274782 0.3159657), wk = 0.0028736 k( 275) = ( 0.0000000 0.0137391 0.3159657), wk = 0.0028736 k( 276) = ( 0.0000000 0.0000000 0.3159657), wk = 0.0028736 k( 277) = ( 0.0000000 0.3297388 -0.0000000), wk = 0.0028736 k( 278) = ( 0.0000000 0.3297388 0.0137376), wk = 0.0028736 k( 279) = ( 0.0000000 0.3297388 0.0274753), wk = 0.0028736 k( 280) = ( 0.0000000 0.3297388 0.0412129), wk = 0.0028736 k( 281) = ( 0.0000000 0.3297388 0.0549505), wk = 0.0028736 k( 282) = ( 0.0000000 0.3297388 0.0686882), wk = 0.0028736 k( 283) = ( 0.0000000 0.3297388 0.0824258), wk = 0.0028736 k( 284) = ( 0.0000000 0.3297388 0.0961635), wk = 0.0028736 k( 285) = ( 0.0000000 0.3297388 0.1099011), wk = 0.0028736 k( 286) = ( 0.0000000 0.3297388 0.1236387), wk = 0.0028736 k( 287) = ( 0.0000000 0.3297388 0.1373764), wk = 0.0028736 k( 288) = ( 0.0000000 0.3297388 0.1511140), wk = 0.0028736 k( 289) = ( 0.0000000 0.3297388 0.1648516), wk = 0.0028736 k( 290) = ( 0.0000000 0.3297388 0.1785893), wk = 0.0028736 k( 291) = ( 0.0000000 0.3297388 0.1923269), wk = 0.0028736 k( 292) = ( 0.0000000 0.3297388 0.2060646), wk = 0.0028736 k( 293) = ( 0.0000000 0.3297388 0.2198022), wk = 0.0028736 k( 294) = ( 0.0000000 0.3297388 0.2335398), wk = 0.0028736 k( 295) = ( 0.0000000 0.3297388 0.2472775), wk = 0.0028736 k( 296) = ( 0.0000000 0.3297388 0.2610151), wk = 0.0028736 k( 297) = ( 0.0000000 0.3297388 0.2747527), wk = 0.0028736 k( 298) = ( 0.0000000 0.3297388 0.2884904), wk = 0.0028736 k( 299) = ( 0.0000000 0.3297388 0.3022280), wk = 0.0028736 k( 300) = ( 0.0000000 0.3297388 0.3159657), wk = 0.0028736 k( 301) = ( 0.5000000 -0.0000000 0.3159657), wk = 0.0028736 k( 302) = ( 0.5000000 -0.0000000 0.3022280), wk = 0.0028736 k( 303) = ( 0.5000000 -0.0000000 0.2884904), wk = 0.0028736 k( 304) = ( 0.5000000 -0.0000000 0.2747527), wk = 0.0028736 k( 305) = ( 0.5000000 -0.0000000 0.2610151), wk = 0.0028736 k( 306) = ( 0.5000000 -0.0000000 0.2472775), wk = 0.0028736 k( 307) = ( 0.5000000 -0.0000000 0.2335398), wk = 0.0028736 k( 308) = ( 0.5000000 -0.0000000 0.2198022), wk = 0.0028736 k( 309) = ( 0.5000000 -0.0000000 0.2060646), wk = 0.0028736 k( 310) = ( 0.5000000 -0.0000000 0.1923269), wk = 0.0028736 k( 311) = ( 0.5000000 -0.0000000 0.1785893), wk = 0.0028736 k( 312) = ( 0.5000000 -0.0000000 0.1648516), wk = 0.0028736 k( 313) = ( 0.5000000 -0.0000000 0.1511140), wk = 0.0028736 k( 314) = ( 0.5000000 -0.0000000 0.1373764), wk = 0.0028736 k( 315) = ( 0.5000000 -0.0000000 0.1236387), wk = 0.0028736 k( 316) = ( 0.5000000 -0.0000000 0.1099011), wk = 0.0028736 k( 317) = ( 0.5000000 -0.0000000 0.0961635), wk = 0.0028736 k( 318) = ( 0.5000000 -0.0000000 0.0824258), wk = 0.0028736 k( 319) = ( 0.5000000 -0.0000000 0.0686882), wk = 0.0028736 k( 320) = ( 0.5000000 -0.0000000 0.0549505), wk = 0.0028736 k( 321) = ( 0.5000000 -0.0000000 0.0412129), wk = 0.0028736 k( 322) = ( 0.5000000 -0.0000000 0.0274753), wk = 0.0028736 k( 323) = ( 0.5000000 -0.0000000 0.0137376), wk = 0.0028736 k( 324) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0028736 k( 325) = ( 0.5000000 0.3297388 -0.0000000), wk = 0.0028736 k( 326) = ( 0.5000000 0.3297388 0.0137376), wk = 0.0028736 k( 327) = ( 0.5000000 0.3297388 0.0274753), wk = 0.0028736 k( 328) = ( 0.5000000 0.3297388 0.0412129), wk = 0.0028736 k( 329) = ( 0.5000000 0.3297388 0.0549505), wk = 0.0028736 k( 330) = ( 0.5000000 0.3297388 0.0686882), wk = 0.0028736 k( 331) = ( 0.5000000 0.3297388 0.0824258), wk = 0.0028736 k( 332) = ( 0.5000000 0.3297388 0.0961635), wk = 0.0028736 k( 333) = ( 0.5000000 0.3297388 0.1099011), wk = 0.0028736 k( 334) = ( 0.5000000 0.3297388 0.1236387), wk = 0.0028736 k( 335) = ( 0.5000000 0.3297388 0.1373764), wk = 0.0028736 k( 336) = ( 0.5000000 0.3297388 0.1511140), wk = 0.0028736 k( 337) = ( 0.5000000 0.3297388 0.1648516), wk = 0.0028736 k( 338) = ( 0.5000000 0.3297388 0.1785893), wk = 0.0028736 k( 339) = ( 0.5000000 0.3297388 0.1923269), wk = 0.0028736 k( 340) = ( 0.5000000 0.3297388 0.2060646), wk = 0.0028736 k( 341) = ( 0.5000000 0.3297388 0.2198022), wk = 0.0028736 k( 342) = ( 0.5000000 0.3297388 0.2335398), wk = 0.0028736 k( 343) = ( 0.5000000 0.3297388 0.2472775), wk = 0.0028736 k( 344) = ( 0.5000000 0.3297388 0.2610151), wk = 0.0028736 k( 345) = ( 0.5000000 0.3297388 0.2747527), wk = 0.0028736 k( 346) = ( 0.5000000 0.3297388 0.2884904), wk = 0.0028736 k( 347) = ( 0.5000000 0.3297388 0.3022280), wk = 0.0028736 k( 348) = ( 0.5000000 0.3297388 0.3159657), wk = 0.0028736 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 2) = ( 0.0135135 0.0000000 -0.0000000), wk = 0.0028736 k( 3) = ( 0.0270270 0.0000000 0.0000000), wk = 0.0028736 k( 4) = ( 0.0405405 0.0000000 0.0000000), wk = 0.0028736 k( 5) = ( 0.0540540 0.0000000 0.0000000), wk = 0.0028736 k( 6) = ( 0.0675676 0.0000000 0.0000000), wk = 0.0028736 k( 7) = ( 0.0810811 0.0000000 0.0000000), wk = 0.0028736 k( 8) = ( 0.0945946 0.0000000 0.0000000), wk = 0.0028736 k( 9) = ( 0.1081081 0.0000000 -0.0000000), wk = 0.0028736 k( 10) = ( 0.1216216 0.0000000 -0.0000000), wk = 0.0028736 k( 11) = ( 0.1351351 0.0000000 0.0000000), wk = 0.0028736 k( 12) = ( 0.1486486 0.0000000 0.0000000), wk = 0.0028736 k( 13) = ( 0.1621622 0.0000000 0.0000000), wk = 0.0028736 k( 14) = ( 0.1756757 0.0000000 0.0000000), wk = 0.0028736 k( 15) = ( 0.1891892 0.0000000 0.0000000), wk = 0.0028736 k( 16) = ( 0.2027027 0.0000000 -0.0000000), wk = 0.0028736 k( 17) = ( 0.2162162 0.0000000 -0.0000000), wk = 0.0028736 k( 18) = ( 0.2297297 0.0000000 0.0000000), wk = 0.0028736 k( 19) = ( 0.2432432 0.0000000 -0.0000000), wk = 0.0028736 k( 20) = ( 0.2567568 0.0000000 -0.0000000), wk = 0.0028736 k( 21) = ( 0.2702703 0.0000000 0.0000000), wk = 0.0028736 k( 22) = ( 0.2837838 0.0000000 0.0000000), wk = 0.0028736 k( 23) = ( 0.2972973 0.0000000 0.0000000), wk = 0.0028736 k( 24) = ( 0.3108108 0.0000000 -0.0000000), wk = 0.0028736 k( 25) = ( 0.3243243 0.0000000 0.0000000), wk = 0.0028736 k( 26) = ( 0.3378378 0.0000000 0.0000000), wk = 0.0028736 k( 27) = ( 0.3513514 -0.0000000 0.0000000), wk = 0.0028736 k( 28) = ( 0.3648649 0.0000000 0.0000000), wk = 0.0028736 k( 29) = ( 0.3783784 0.0000000 0.0000000), wk = 0.0028736 k( 30) = ( 0.3918919 0.0000000 -0.0000000), wk = 0.0028736 k( 31) = ( 0.4054054 0.0000000 -0.0000000), wk = 0.0028736 k( 32) = ( 0.4189189 0.0000000 -0.0000000), wk = 0.0028736 k( 33) = ( 0.4324324 0.0000000 -0.0000000), wk = 0.0028736 k( 34) = ( 0.4459459 0.0000000 -0.0000000), wk = 0.0028736 k( 35) = ( 0.4594595 0.0000000 0.0000000), wk = 0.0028736 k( 36) = ( 0.4729730 0.0000000 0.0000000), wk = 0.0028736 k( 37) = ( 0.4864865 0.0000000 -0.0000000), wk = 0.0028736 k( 38) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0028736 k( 39) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0028736 k( 40) = ( 0.5000000 0.0208333 0.0000000), wk = 0.0028736 k( 41) = ( 0.5000000 0.0416667 0.0000000), wk = 0.0028736 k( 42) = ( 0.5000000 0.0625000 0.0000000), wk = 0.0028736 k( 43) = ( 0.5000000 0.0833333 0.0000000), wk = 0.0028736 k( 44) = ( 0.5000000 0.1041667 0.0000000), wk = 0.0028736 k( 45) = ( 0.5000000 0.1250000 0.0000000), wk = 0.0028736 k( 46) = ( 0.5000000 0.1458333 0.0000000), wk = 0.0028736 k( 47) = ( 0.5000000 0.1666667 0.0000000), wk = 0.0028736 k( 48) = ( 0.5000000 0.1875000 -0.0000000), wk = 0.0028736 k( 49) = ( 0.5000000 0.2083333 0.0000000), wk = 0.0028736 k( 50) = ( 0.5000000 0.2291667 -0.0000000), wk = 0.0028736 k( 51) = ( 0.5000000 0.2500000 0.0000000), wk = 0.0028736 k( 52) = ( 0.5000000 0.2708333 0.0000000), wk = 0.0028736 k( 53) = ( 0.5000000 0.2916667 -0.0000000), wk = 0.0028736 k( 54) = ( 0.5000000 0.3125000 0.0000000), wk = 0.0028736 k( 55) = ( 0.5000000 0.3333333 0.0000000), wk = 0.0028736 k( 56) = ( 0.5000000 0.3541667 0.0000000), wk = 0.0028736 k( 57) = ( 0.5000000 0.3750000 0.0000000), wk = 0.0028736 k( 58) = ( 0.5000000 0.3958333 0.0000000), wk = 0.0028736 k( 59) = ( 0.5000000 0.4166667 0.0000000), wk = 0.0028736 k( 60) = ( 0.5000000 0.4375000 0.0000000), wk = 0.0028736 k( 61) = ( 0.5000000 0.4583333 0.0000000), wk = 0.0028736 k( 62) = ( 0.5000000 0.4791667 -0.0000000), wk = 0.0028736 k( 63) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028736 k( 64) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028736 k( 65) = ( 0.4864865 0.5000000 -0.0000000), wk = 0.0028736 k( 66) = ( 0.4729730 0.5000000 -0.0000000), wk = 0.0028736 k( 67) = ( 0.4594595 0.5000000 0.0000000), wk = 0.0028736 k( 68) = ( 0.4459459 0.5000000 0.0000000), wk = 0.0028736 k( 69) = ( 0.4324324 0.5000000 0.0000000), wk = 0.0028736 k( 70) = ( 0.4189189 0.5000000 0.0000000), wk = 0.0028736 k( 71) = ( 0.4054054 0.5000000 -0.0000000), wk = 0.0028736 k( 72) = ( 0.3918919 0.5000000 0.0000000), wk = 0.0028736 k( 73) = ( 0.3783784 0.5000000 0.0000000), wk = 0.0028736 k( 74) = ( 0.3648649 0.5000000 -0.0000000), wk = 0.0028736 k( 75) = ( 0.3513514 0.5000000 0.0000000), wk = 0.0028736 k( 76) = ( 0.3378378 0.5000000 -0.0000000), wk = 0.0028736 k( 77) = ( 0.3243243 0.5000000 -0.0000000), wk = 0.0028736 k( 78) = ( 0.3108108 0.5000000 0.0000000), wk = 0.0028736 k( 79) = ( 0.2972973 0.5000000 0.0000000), wk = 0.0028736 k( 80) = ( 0.2837838 0.5000000 -0.0000000), wk = 0.0028736 k( 81) = ( 0.2702703 0.5000000 0.0000000), wk = 0.0028736 k( 82) = ( 0.2567568 0.5000000 0.0000000), wk = 0.0028736 k( 83) = ( 0.2432432 0.5000000 0.0000000), wk = 0.0028736 k( 84) = ( 0.2297297 0.5000000 0.0000000), wk = 0.0028736 k( 85) = ( 0.2162162 0.5000000 0.0000000), wk = 0.0028736 k( 86) = ( 0.2027027 0.5000000 0.0000000), wk = 0.0028736 k( 87) = ( 0.1891892 0.5000000 0.0000000), wk = 0.0028736 k( 88) = ( 0.1756757 0.5000000 -0.0000000), wk = 0.0028736 k( 89) = ( 0.1621622 0.5000000 0.0000000), wk = 0.0028736 k( 90) = ( 0.1486486 0.5000000 0.0000000), wk = 0.0028736 k( 91) = ( 0.1351351 0.5000000 0.0000000), wk = 0.0028736 k( 92) = ( 0.1216216 0.5000000 0.0000000), wk = 0.0028736 k( 93) = ( 0.1081081 0.5000000 0.0000000), wk = 0.0028736 k( 94) = ( 0.0945946 0.5000000 0.0000000), wk = 0.0028736 k( 95) = ( 0.0810811 0.5000000 0.0000000), wk = 0.0028736 k( 96) = ( 0.0675676 0.5000000 0.0000000), wk = 0.0028736 k( 97) = ( 0.0540540 0.5000000 0.0000000), wk = 0.0028736 k( 98) = ( 0.0405405 0.5000000 0.0000000), wk = 0.0028736 k( 99) = ( 0.0270270 0.5000000 0.0000000), wk = 0.0028736 k( 100) = ( 0.0135135 0.5000000 0.0000000), wk = 0.0028736 k( 101) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028736 k( 102) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028736 k( 103) = ( 0.0000000 0.4791667 0.0000000), wk = 0.0028736 k( 104) = ( 0.0000000 0.4583333 0.0000000), wk = 0.0028736 k( 105) = ( 0.0000000 0.4375000 -0.0000000), wk = 0.0028736 k( 106) = ( 0.0000000 0.4166667 0.0000000), wk = 0.0028736 k( 107) = ( 0.0000000 0.3958333 0.0000000), wk = 0.0028736 k( 108) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0028736 k( 109) = ( 0.0000000 0.3541667 0.0000000), wk = 0.0028736 k( 110) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0028736 k( 111) = ( 0.0000000 0.3125000 0.0000000), wk = 0.0028736 k( 112) = ( 0.0000000 0.2916667 0.0000000), wk = 0.0028736 k( 113) = ( 0.0000000 0.2708333 0.0000000), wk = 0.0028736 k( 114) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0028736 k( 115) = ( 0.0000000 0.2291667 0.0000000), wk = 0.0028736 k( 116) = ( 0.0000000 0.2083333 0.0000000), wk = 0.0028736 k( 117) = ( 0.0000000 0.1875000 -0.0000000), wk = 0.0028736 k( 118) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0028736 k( 119) = ( 0.0000000 0.1458333 -0.0000000), wk = 0.0028736 k( 120) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0028736 k( 121) = ( 0.0000000 0.1041667 -0.0000000), wk = 0.0028736 k( 122) = ( 0.0000000 0.0833333 0.0000000), wk = 0.0028736 k( 123) = ( 0.0000000 0.0625000 0.0000000), wk = 0.0028736 k( 124) = ( 0.0000000 0.0416667 -0.0000000), wk = 0.0028736 k( 125) = ( 0.0000000 0.0208333 -0.0000000), wk = 0.0028736 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 127) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 128) = ( 0.0000000 0.0000000 0.0217391), wk = 0.0028736 k( 129) = ( 0.0000000 0.0000000 0.0434783), wk = 0.0028736 k( 130) = ( 0.0000000 0.0000000 0.0652174), wk = 0.0028736 k( 131) = ( 0.0000000 0.0000000 0.0869565), wk = 0.0028736 k( 132) = ( 0.0000000 0.0000000 0.1086956), wk = 0.0028736 k( 133) = ( 0.0000000 0.0000000 0.1304348), wk = 0.0028736 k( 134) = ( 0.0000000 0.0000000 0.1521739), wk = 0.0028736 k( 135) = ( 0.0000000 0.0000000 0.1739130), wk = 0.0028736 k( 136) = ( 0.0000000 0.0000000 0.1956522), wk = 0.0028736 k( 137) = ( 0.0000000 0.0000000 0.2173913), wk = 0.0028736 k( 138) = ( 0.0000000 0.0000000 0.2391304), wk = 0.0028736 k( 139) = ( 0.0000000 0.0000000 0.2608696), wk = 0.0028736 k( 140) = ( 0.0000000 0.0000000 0.2826087), wk = 0.0028736 k( 141) = ( 0.0000000 0.0000000 0.3043478), wk = 0.0028736 k( 142) = ( 0.0000000 0.0000000 0.3260870), wk = 0.0028736 k( 143) = ( 0.0000000 0.0000000 0.3478261), wk = 0.0028736 k( 144) = ( 0.0000000 0.0000000 0.3695652), wk = 0.0028736 k( 145) = ( 0.0000000 0.0000000 0.3913044), wk = 0.0028736 k( 146) = ( 0.0000000 0.0000000 0.4130435), wk = 0.0028736 k( 147) = ( 0.0000000 0.0000000 0.4347826), wk = 0.0028736 k( 148) = ( 0.0000000 0.0000000 0.4565217), wk = 0.0028736 k( 149) = ( 0.0000000 0.0000000 0.4782609), wk = 0.0028736 k( 150) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028736 k( 151) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028736 k( 152) = ( 0.0135135 0.0000000 0.5000000), wk = 0.0028736 k( 153) = ( 0.0270270 0.0000000 0.5000000), wk = 0.0028736 k( 154) = ( 0.0405405 0.0000000 0.5000000), wk = 0.0028736 k( 155) = ( 0.0540540 0.0000000 0.5000000), wk = 0.0028736 k( 156) = ( 0.0675676 0.0000000 0.5000000), wk = 0.0028736 k( 157) = ( 0.0810811 0.0000000 0.5000000), wk = 0.0028736 k( 158) = ( 0.0945946 0.0000000 0.5000000), wk = 0.0028736 k( 159) = ( 0.1081081 0.0000000 0.5000000), wk = 0.0028736 k( 160) = ( 0.1216216 0.0000000 0.5000000), wk = 0.0028736 k( 161) = ( 0.1351351 0.0000000 0.5000000), wk = 0.0028736 k( 162) = ( 0.1486486 0.0000000 0.5000000), wk = 0.0028736 k( 163) = ( 0.1621622 0.0000000 0.5000000), wk = 0.0028736 k( 164) = ( 0.1756757 0.0000000 0.5000000), wk = 0.0028736 k( 165) = ( 0.1891892 0.0000000 0.5000000), wk = 0.0028736 k( 166) = ( 0.2027027 0.0000000 0.5000000), wk = 0.0028736 k( 167) = ( 0.2162162 0.0000000 0.5000000), wk = 0.0028736 k( 168) = ( 0.2297297 0.0000000 0.5000000), wk = 0.0028736 k( 169) = ( 0.2432432 0.0000000 0.5000000), wk = 0.0028736 k( 170) = ( 0.2567568 0.0000000 0.5000000), wk = 0.0028736 k( 171) = ( 0.2702703 0.0000000 0.5000000), wk = 0.0028736 k( 172) = ( 0.2837838 0.0000000 0.5000000), wk = 0.0028736 k( 173) = ( 0.2972973 0.0000000 0.5000000), wk = 0.0028736 k( 174) = ( 0.3108108 0.0000000 0.5000000), wk = 0.0028736 k( 175) = ( 0.3243243 0.0000000 0.5000000), wk = 0.0028736 k( 176) = ( 0.3378378 0.0000000 0.5000000), wk = 0.0028736 k( 177) = ( 0.3513514 -0.0000000 0.5000000), wk = 0.0028736 k( 178) = ( 0.3648649 0.0000000 0.5000000), wk = 0.0028736 k( 179) = ( 0.3783784 0.0000000 0.5000000), wk = 0.0028736 k( 180) = ( 0.3918919 0.0000000 0.5000000), wk = 0.0028736 k( 181) = ( 0.4054054 0.0000000 0.5000000), wk = 0.0028736 k( 182) = ( 0.4189189 0.0000000 0.5000000), wk = 0.0028736 k( 183) = ( 0.4324324 0.0000000 0.5000000), wk = 0.0028736 k( 184) = ( 0.4459459 0.0000000 0.5000000), wk = 0.0028736 k( 185) = ( 0.4594595 0.0000000 0.5000000), wk = 0.0028736 k( 186) = ( 0.4729730 0.0000000 0.5000000), wk = 0.0028736 k( 187) = ( 0.4864865 0.0000000 0.5000000), wk = 0.0028736 k( 188) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028736 k( 189) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028736 k( 190) = ( 0.5000000 0.0208333 0.5000000), wk = 0.0028736 k( 191) = ( 0.5000000 0.0416667 0.5000000), wk = 0.0028736 k( 192) = ( 0.5000000 0.0625000 0.5000000), wk = 0.0028736 k( 193) = ( 0.5000000 0.0833333 0.5000000), wk = 0.0028736 k( 194) = ( 0.5000000 0.1041667 0.5000000), wk = 0.0028736 k( 195) = ( 0.5000000 0.1250000 0.5000000), wk = 0.0028736 k( 196) = ( 0.5000000 0.1458333 0.5000000), wk = 0.0028736 k( 197) = ( 0.5000000 0.1666667 0.5000000), wk = 0.0028736 k( 198) = ( 0.5000000 0.1875000 0.5000000), wk = 0.0028736 k( 199) = ( 0.5000000 0.2083333 0.5000000), wk = 0.0028736 k( 200) = ( 0.5000000 0.2291667 0.5000000), wk = 0.0028736 k( 201) = ( 0.5000000 0.2500000 0.5000000), wk = 0.0028736 k( 202) = ( 0.5000000 0.2708333 0.5000000), wk = 0.0028736 k( 203) = ( 0.5000000 0.2916667 0.5000000), wk = 0.0028736 k( 204) = ( 0.5000000 0.3125000 0.5000000), wk = 0.0028736 k( 205) = ( 0.5000000 0.3333333 0.5000000), wk = 0.0028736 k( 206) = ( 0.5000000 0.3541667 0.5000000), wk = 0.0028736 k( 207) = ( 0.5000000 0.3750000 0.5000000), wk = 0.0028736 k( 208) = ( 0.5000000 0.3958333 0.5000000), wk = 0.0028736 k( 209) = ( 0.5000000 0.4166667 0.5000000), wk = 0.0028736 k( 210) = ( 0.5000000 0.4375000 0.5000000), wk = 0.0028736 k( 211) = ( 0.5000000 0.4583333 0.5000000), wk = 0.0028736 k( 212) = ( 0.5000000 0.4791667 0.5000000), wk = 0.0028736 k( 213) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028736 k( 214) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028736 k( 215) = ( 0.4864865 0.5000000 0.5000000), wk = 0.0028736 k( 216) = ( 0.4729730 0.5000000 0.5000000), wk = 0.0028736 k( 217) = ( 0.4594595 0.5000000 0.5000000), wk = 0.0028736 k( 218) = ( 0.4459459 0.5000000 0.5000000), wk = 0.0028736 k( 219) = ( 0.4324324 0.5000000 0.5000000), wk = 0.0028736 k( 220) = ( 0.4189189 0.5000000 0.5000000), wk = 0.0028736 k( 221) = ( 0.4054054 0.5000000 0.5000000), wk = 0.0028736 k( 222) = ( 0.3918919 0.5000000 0.5000000), wk = 0.0028736 k( 223) = ( 0.3783784 0.5000000 0.5000000), wk = 0.0028736 k( 224) = ( 0.3648649 0.5000000 0.5000000), wk = 0.0028736 k( 225) = ( 0.3513514 0.5000000 0.5000000), wk = 0.0028736 k( 226) = ( 0.3378378 0.5000000 0.5000000), wk = 0.0028736 k( 227) = ( 0.3243243 0.5000000 0.5000000), wk = 0.0028736 k( 228) = ( 0.3108108 0.5000000 0.5000000), wk = 0.0028736 k( 229) = ( 0.2972973 0.5000000 0.5000000), wk = 0.0028736 k( 230) = ( 0.2837838 0.5000000 0.5000000), wk = 0.0028736 k( 231) = ( 0.2702703 0.5000000 0.5000000), wk = 0.0028736 k( 232) = ( 0.2567568 0.5000000 0.5000000), wk = 0.0028736 k( 233) = ( 0.2432432 0.5000000 0.5000000), wk = 0.0028736 k( 234) = ( 0.2297297 0.5000000 0.5000000), wk = 0.0028736 k( 235) = ( 0.2162162 0.5000000 0.5000000), wk = 0.0028736 k( 236) = ( 0.2027027 0.5000000 0.5000000), wk = 0.0028736 k( 237) = ( 0.1891892 0.5000000 0.5000000), wk = 0.0028736 k( 238) = ( 0.1756757 0.5000000 0.5000000), wk = 0.0028736 k( 239) = ( 0.1621622 0.5000000 0.5000000), wk = 0.0028736 k( 240) = ( 0.1486486 0.5000000 0.5000000), wk = 0.0028736 k( 241) = ( 0.1351351 0.5000000 0.5000000), wk = 0.0028736 k( 242) = ( 0.1216216 0.5000000 0.5000000), wk = 0.0028736 k( 243) = ( 0.1081081 0.5000000 0.5000000), wk = 0.0028736 k( 244) = ( 0.0945946 0.5000000 0.5000000), wk = 0.0028736 k( 245) = ( 0.0810811 0.5000000 0.5000000), wk = 0.0028736 k( 246) = ( 0.0675676 0.5000000 0.5000000), wk = 0.0028736 k( 247) = ( 0.0540540 0.5000000 0.5000000), wk = 0.0028736 k( 248) = ( 0.0405405 0.5000000 0.5000000), wk = 0.0028736 k( 249) = ( 0.0270270 0.5000000 0.5000000), wk = 0.0028736 k( 250) = ( 0.0135135 0.5000000 0.5000000), wk = 0.0028736 k( 251) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028736 k( 252) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028736 k( 253) = ( 0.0000000 0.4791667 0.5000000), wk = 0.0028736 k( 254) = ( 0.0000000 0.4583333 0.5000000), wk = 0.0028736 k( 255) = ( 0.0000000 0.4375000 0.5000000), wk = 0.0028736 k( 256) = ( 0.0000000 0.4166667 0.5000000), wk = 0.0028736 k( 257) = ( 0.0000000 0.3958333 0.5000000), wk = 0.0028736 k( 258) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0028736 k( 259) = ( 0.0000000 0.3541667 0.5000000), wk = 0.0028736 k( 260) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0028736 k( 261) = ( 0.0000000 0.3125000 0.5000000), wk = 0.0028736 k( 262) = ( 0.0000000 0.2916667 0.5000000), wk = 0.0028736 k( 263) = ( 0.0000000 0.2708333 0.5000000), wk = 0.0028736 k( 264) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0028736 k( 265) = ( 0.0000000 0.2291667 0.5000000), wk = 0.0028736 k( 266) = ( 0.0000000 0.2083333 0.5000000), wk = 0.0028736 k( 267) = ( 0.0000000 0.1875000 0.5000000), wk = 0.0028736 k( 268) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0028736 k( 269) = ( 0.0000000 0.1458333 0.5000000), wk = 0.0028736 k( 270) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0028736 k( 271) = ( 0.0000000 0.1041667 0.5000000), wk = 0.0028736 k( 272) = ( 0.0000000 0.0833333 0.5000000), wk = 0.0028736 k( 273) = ( 0.0000000 0.0625000 0.5000000), wk = 0.0028736 k( 274) = ( 0.0000000 0.0416667 0.5000000), wk = 0.0028736 k( 275) = ( 0.0000000 0.0208333 0.5000000), wk = 0.0028736 k( 276) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028736 k( 277) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028736 k( 278) = ( 0.0000000 0.5000000 0.0217391), wk = 0.0028736 k( 279) = ( 0.0000000 0.5000000 0.0434783), wk = 0.0028736 k( 280) = ( 0.0000000 0.5000000 0.0652174), wk = 0.0028736 k( 281) = ( 0.0000000 0.5000000 0.0869565), wk = 0.0028736 k( 282) = ( 0.0000000 0.5000000 0.1086957), wk = 0.0028736 k( 283) = ( 0.0000000 0.5000000 0.1304348), wk = 0.0028736 k( 284) = ( 0.0000000 0.5000000 0.1521739), wk = 0.0028736 k( 285) = ( 0.0000000 0.5000000 0.1739130), wk = 0.0028736 k( 286) = ( 0.0000000 0.5000000 0.1956522), wk = 0.0028736 k( 287) = ( 0.0000000 0.5000000 0.2173913), wk = 0.0028736 k( 288) = ( 0.0000000 0.5000000 0.2391304), wk = 0.0028736 k( 289) = ( 0.0000000 0.5000000 0.2608696), wk = 0.0028736 k( 290) = ( 0.0000000 0.5000000 0.2826087), wk = 0.0028736 k( 291) = ( 0.0000000 0.5000000 0.3043478), wk = 0.0028736 k( 292) = ( 0.0000000 0.5000000 0.3260870), wk = 0.0028736 k( 293) = ( 0.0000000 0.5000000 0.3478261), wk = 0.0028736 k( 294) = ( 0.0000000 0.5000000 0.3695652), wk = 0.0028736 k( 295) = ( 0.0000000 0.5000000 0.3913044), wk = 0.0028736 k( 296) = ( 0.0000000 0.5000000 0.4130435), wk = 0.0028736 k( 297) = ( 0.0000000 0.5000000 0.4347826), wk = 0.0028736 k( 298) = ( 0.0000000 0.5000000 0.4565217), wk = 0.0028736 k( 299) = ( 0.0000000 0.5000000 0.4782609), wk = 0.0028736 k( 300) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028736 k( 301) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028736 k( 302) = ( 0.5000000 0.0000000 0.4782609), wk = 0.0028736 k( 303) = ( 0.5000000 0.0000000 0.4565217), wk = 0.0028736 k( 304) = ( 0.5000000 0.0000000 0.4347826), wk = 0.0028736 k( 305) = ( 0.5000000 0.0000000 0.4130435), wk = 0.0028736 k( 306) = ( 0.5000000 0.0000000 0.3913043), wk = 0.0028736 k( 307) = ( 0.5000000 0.0000000 0.3695652), wk = 0.0028736 k( 308) = ( 0.5000000 0.0000000 0.3478261), wk = 0.0028736 k( 309) = ( 0.5000000 0.0000000 0.3260870), wk = 0.0028736 k( 310) = ( 0.5000000 0.0000000 0.3043478), wk = 0.0028736 k( 311) = ( 0.5000000 0.0000000 0.2826087), wk = 0.0028736 k( 312) = ( 0.5000000 0.0000000 0.2608696), wk = 0.0028736 k( 313) = ( 0.5000000 0.0000000 0.2391304), wk = 0.0028736 k( 314) = ( 0.5000000 0.0000000 0.2173913), wk = 0.0028736 k( 315) = ( 0.5000000 0.0000000 0.1956522), wk = 0.0028736 k( 316) = ( 0.5000000 0.0000000 0.1739130), wk = 0.0028736 k( 317) = ( 0.5000000 0.0000000 0.1521739), wk = 0.0028736 k( 318) = ( 0.5000000 0.0000000 0.1304348), wk = 0.0028736 k( 319) = ( 0.5000000 0.0000000 0.1086956), wk = 0.0028736 k( 320) = ( 0.5000000 0.0000000 0.0869565), wk = 0.0028736 k( 321) = ( 0.5000000 0.0000000 0.0652174), wk = 0.0028736 k( 322) = ( 0.5000000 0.0000000 0.0434783), wk = 0.0028736 k( 323) = ( 0.5000000 0.0000000 0.0217391), wk = 0.0028736 k( 324) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0028736 k( 325) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028736 k( 326) = ( 0.5000000 0.5000000 0.0217391), wk = 0.0028736 k( 327) = ( 0.5000000 0.5000000 0.0434783), wk = 0.0028736 k( 328) = ( 0.5000000 0.5000000 0.0652174), wk = 0.0028736 k( 329) = ( 0.5000000 0.5000000 0.0869565), wk = 0.0028736 k( 330) = ( 0.5000000 0.5000000 0.1086956), wk = 0.0028736 k( 331) = ( 0.5000000 0.5000000 0.1304348), wk = 0.0028736 k( 332) = ( 0.5000000 0.5000000 0.1521739), wk = 0.0028736 k( 333) = ( 0.5000000 0.5000000 0.1739130), wk = 0.0028736 k( 334) = ( 0.5000000 0.5000000 0.1956522), wk = 0.0028736 k( 335) = ( 0.5000000 0.5000000 0.2173913), wk = 0.0028736 k( 336) = ( 0.5000000 0.5000000 0.2391304), wk = 0.0028736 k( 337) = ( 0.5000000 0.5000000 0.2608696), wk = 0.0028736 k( 338) = ( 0.5000000 0.5000000 0.2826087), wk = 0.0028736 k( 339) = ( 0.5000000 0.5000000 0.3043478), wk = 0.0028736 k( 340) = ( 0.5000000 0.5000000 0.3260870), wk = 0.0028736 k( 341) = ( 0.5000000 0.5000000 0.3478261), wk = 0.0028736 k( 342) = ( 0.5000000 0.5000000 0.3695652), wk = 0.0028736 k( 343) = ( 0.5000000 0.5000000 0.3913043), wk = 0.0028736 k( 344) = ( 0.5000000 0.5000000 0.4130435), wk = 0.0028736 k( 345) = ( 0.5000000 0.5000000 0.4347826), wk = 0.0028736 k( 346) = ( 0.5000000 0.5000000 0.4565217), wk = 0.0028736 k( 347) = ( 0.5000000 0.5000000 0.4782609), wk = 0.0028736 k( 348) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028736 Dense grid: 101555 G-vectors FFT dimensions: ( 45, 72, 72) Smooth grid: 63339 G-vectors FFT dimensions: ( 40, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.46 Mb ( 520, 58) NL pseudopotentials 0.49 Mb ( 260, 124) Each V/rho on FFT grid 0.15 Mb ( 9720) Each G-vector array 0.02 Mb ( 3174) G-vector shells 0.01 Mb ( 1565) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.84 Mb ( 520, 232) Each subspace H/S matrix 0.82 Mb ( 232, 232) Each matrix 0.22 Mb ( 124, 2, 58) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./CaBr2.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.5 secs Computing kpt #: 2 total cpu time spent up to now is 8.4 secs Computing kpt #: 3 total cpu time spent up to now is 11.2 secs Computing kpt #: 4 total cpu time spent up to now is 14.4 secs Computing kpt #: 5 total cpu time spent up to now is 17.4 secs Computing kpt #: 6 total cpu time spent up to now is 20.3 secs Computing kpt #: 7 total cpu time spent up to now is 23.4 secs Computing kpt #: 8 total cpu time spent up to now is 26.3 secs Computing kpt #: 9 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 29.7 secs Computing kpt #: 10 total cpu time spent up to now is 32.5 secs Computing kpt #: 11 total cpu time spent up to now is 35.2 secs Computing kpt #: 12 total cpu time spent up to now is 38.0 secs Computing kpt #: 13 total cpu time spent up to now is 40.8 secs Computing kpt #: 14 total cpu time spent up to now is 43.5 secs Computing kpt #: 15 total cpu time spent up to now is 46.1 secs Computing kpt #: 16 total cpu time spent up to now is 48.5 secs Computing kpt #: 17 total cpu time spent up to now is 50.9 secs Computing kpt #: 18 total cpu time spent up to now is 53.3 secs Computing kpt #: 19 total cpu time spent up to now is 55.6 secs Computing kpt #: 20 total cpu time spent up to now is 58.0 secs Computing kpt #: 21 total cpu time spent up to now is 60.4 secs Computing kpt #: 22 total cpu time spent up to now is 62.8 secs Computing kpt #: 23 total cpu time spent up to now is 65.2 secs Computing kpt #: 24 total cpu time spent up to now is 67.7 secs Computing kpt #: 25 total cpu time spent up to now is 70.3 secs Computing kpt #: 26 total cpu time spent up to now is 73.0 secs Computing kpt #: 27 total cpu time spent up to now is 75.9 secs Computing kpt #: 28 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 79.3 secs Computing kpt #: 29 total cpu time spent up to now is 82.0 secs Computing kpt #: 30 total cpu time spent up to now is 84.7 secs Computing kpt #: 31 total cpu time spent up to now is 87.4 secs Computing kpt #: 32 total cpu time spent up to now is 89.9 secs Computing kpt #: 33 total cpu time spent up to now is 92.6 secs Computing kpt #: 34 total cpu time spent up to now is 95.1 secs Computing kpt #: 35 total cpu time spent up to now is 97.6 secs Computing kpt #: 36 total cpu time spent up to now is 100.3 secs Computing kpt #: 37 total cpu time spent up to now is 103.0 secs Computing kpt #: 38 total cpu time spent up to now is 105.5 secs Computing kpt #: 39 total cpu time spent up to now is 108.0 secs Computing kpt #: 40 total cpu time spent up to now is 110.8 secs Computing kpt #: 41 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 114.3 secs Computing kpt #: 42 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 117.8 secs Computing kpt #: 43 total cpu time spent up to now is 120.6 secs Computing kpt #: 44 total cpu time spent up to now is 123.5 secs Computing kpt #: 45 total cpu time spent up to now is 126.6 secs Computing kpt #: 46 total cpu time spent up to now is 129.6 secs Computing kpt #: 47 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 133.0 secs Computing kpt #: 48 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 136.5 secs Computing kpt #: 49 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 140.0 secs Computing kpt #: 50 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 143.5 secs Computing kpt #: 51 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 146.9 secs Computing kpt #: 52 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 150.4 secs Computing kpt #: 53 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 153.9 secs Computing kpt #: 54 total cpu time spent up to now is 157.3 secs Computing kpt #: 55 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 160.8 secs Computing kpt #: 56 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 164.2 secs Computing kpt #: 57 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 167.7 secs Computing kpt #: 58 total cpu time spent up to now is 170.8 secs Computing kpt #: 59 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 174.2 secs Computing kpt #: 60 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 177.7 secs Computing kpt #: 61 total cpu time spent up to now is 180.7 secs Computing kpt #: 62 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 184.1 secs Computing kpt #: 63 total cpu time spent up to now is 187.5 secs Computing kpt #: 64 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 190.9 secs Computing kpt #: 65 total cpu time spent up to now is 193.9 secs Computing kpt #: 66 total cpu time spent up to now is 196.9 secs Computing kpt #: 67 total cpu time spent up to now is 199.9 secs Computing kpt #: 68 total cpu time spent up to now is 203.3 secs Computing kpt #: 69 total cpu time spent up to now is 206.1 secs Computing kpt #: 70 total cpu time spent up to now is 209.1 secs Computing kpt #: 71 total cpu time spent up to now is 212.3 secs Computing kpt #: 72 total cpu time spent up to now is 215.1 secs Computing kpt #: 73 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 218.6 secs Computing kpt #: 74 total cpu time spent up to now is 221.6 secs Computing kpt #: 75 total cpu time spent up to now is 227.5 secs Computing kpt #: 76 total cpu time spent up to now is 230.3 secs Computing kpt #: 77 total cpu time spent up to now is 233.5 secs Computing kpt #: 78 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 237.0 secs Computing kpt #: 79 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 240.6 secs Computing kpt #: 80 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 244.1 secs Computing kpt #: 81 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 247.6 secs Computing kpt #: 82 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 251.2 secs Computing kpt #: 83 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 254.8 secs Computing kpt #: 84 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 258.4 secs Computing kpt #: 85 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 261.8 secs Computing kpt #: 86 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 265.4 secs Computing kpt #: 87 total cpu time spent up to now is 268.2 secs Computing kpt #: 88 total cpu time spent up to now is 271.0 secs Computing kpt #: 89 total cpu time spent up to now is 274.2 secs Computing kpt #: 90 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 277.7 secs Computing kpt #: 91 total cpu time spent up to now is 281.0 secs Computing kpt #: 92 total cpu time spent up to now is 283.9 secs Computing kpt #: 93 total cpu time spent up to now is 287.2 secs Computing kpt #: 94 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 290.7 secs Computing kpt #: 95 total cpu time spent up to now is 293.6 secs Computing kpt #: 96 total cpu time spent up to now is 296.7 secs Computing kpt #: 97 total cpu time spent up to now is 299.8 secs Computing kpt #: 98 total cpu time spent up to now is 302.8 secs Computing kpt #: 99 total cpu time spent up to now is 306.0 secs Computing kpt #: 100 total cpu time spent up to now is 308.9 secs Computing kpt #: 101 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 312.5 secs Computing kpt #: 102 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 316.1 secs Computing kpt #: 103 total cpu time spent up to now is 318.9 secs Computing kpt #: 104 total cpu time spent up to now is 321.6 secs Computing kpt #: 105 total cpu time spent up to now is 324.4 secs Computing kpt #: 106 total cpu time spent up to now is 327.2 secs Computing kpt #: 107 total cpu time spent up to now is 329.9 secs Computing kpt #: 108 total cpu time spent up to now is 332.5 secs Computing kpt #: 109 total cpu time spent up to now is 335.2 secs Computing kpt #: 110 total cpu time spent up to now is 337.8 secs Computing kpt #: 111 total cpu time spent up to now is 340.5 secs Computing kpt #: 112 total cpu time spent up to now is 343.2 secs Computing kpt #: 113 total cpu time spent up to now is 346.1 secs Computing kpt #: 114 total cpu time spent up to now is 349.1 secs Computing kpt #: 115 total cpu time spent up to now is 352.2 secs Computing kpt #: 116 total cpu time spent up to now is 355.2 secs Computing kpt #: 117 total cpu time spent up to now is 358.0 secs Computing kpt #: 118 total cpu time spent up to now is 360.8 secs Computing kpt #: 119 total cpu time spent up to now is 363.7 secs Computing kpt #: 120 total cpu time spent up to now is 366.5 secs Computing kpt #: 121 total cpu time spent up to now is 369.5 secs Computing kpt #: 122 total cpu time spent up to now is 372.3 secs Computing kpt #: 123 total cpu time spent up to now is 375.1 secs Computing kpt #: 124 total cpu time spent up to now is 377.9 secs Computing kpt #: 125 total cpu time spent up to now is 381.2 secs Computing kpt #: 126 total cpu time spent up to now is 384.0 secs Computing kpt #: 127 total cpu time spent up to now is 386.9 secs Computing kpt #: 128 total cpu time spent up to now is 389.6 secs Computing kpt #: 129 total cpu time spent up to now is 392.3 secs Computing kpt #: 130 total cpu time spent up to now is 395.0 secs Computing kpt #: 131 total cpu time spent up to now is 398.0 secs Computing kpt #: 132 total cpu time spent up to now is 400.8 secs Computing kpt #: 133 total cpu time spent up to now is 404.2 secs Computing kpt #: 134 total cpu time spent up to now is 407.3 secs Computing kpt #: 135 total cpu time spent up to now is 410.1 secs Computing kpt #: 136 total cpu time spent up to now is 413.5 secs Computing kpt #: 137 total cpu time spent up to now is 416.9 secs Computing kpt #: 138 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 420.6 secs Computing kpt #: 139 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 424.4 secs Computing kpt #: 140 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 427.9 secs Computing kpt #: 141 total cpu time spent up to now is 430.9 secs Computing kpt #: 142 total cpu time spent up to now is 433.9 secs Computing kpt #: 143 total cpu time spent up to now is 436.5 secs Computing kpt #: 144 total cpu time spent up to now is 439.5 secs Computing kpt #: 145 total cpu time spent up to now is 442.2 secs Computing kpt #: 146 total cpu time spent up to now is 445.2 secs Computing kpt #: 147 total cpu time spent up to now is 448.2 secs Computing kpt #: 148 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 451.9 secs Computing kpt #: 149 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 455.5 secs Computing kpt #: 150 total cpu time spent up to now is 458.4 secs Computing kpt #: 151 total cpu time spent up to now is 461.2 secs Computing kpt #: 152 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 464.8 secs Computing kpt #: 153 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 468.5 secs Computing kpt #: 154 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 472.0 secs Computing kpt #: 155 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 475.5 secs Computing kpt #: 156 total cpu time spent up to now is 478.6 secs Computing kpt #: 157 total cpu time spent up to now is 481.7 secs Computing kpt #: 158 total cpu time spent up to now is 484.7 secs Computing kpt #: 159 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 488.2 secs Computing kpt #: 160 total cpu time spent up to now is 491.5 secs Computing kpt #: 161 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 495.0 secs Computing kpt #: 162 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 498.5 secs Computing kpt #: 163 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 502.0 secs Computing kpt #: 164 total cpu time spent up to now is 504.8 secs Computing kpt #: 165 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 508.4 secs Computing kpt #: 166 total cpu time spent up to now is 511.2 secs Computing kpt #: 167 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 514.7 secs Computing kpt #: 168 total cpu time spent up to now is 517.8 secs Computing kpt #: 169 total cpu time spent up to now is 520.9 secs Computing kpt #: 170 total cpu time spent up to now is 527.0 secs Computing kpt #: 171 total cpu time spent up to now is 529.8 secs Computing kpt #: 172 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 533.3 secs Computing kpt #: 173 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 536.8 secs Computing kpt #: 174 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 540.3 secs Computing kpt #: 175 total cpu time spent up to now is 543.6 secs Computing kpt #: 176 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 547.1 secs Computing kpt #: 177 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 550.5 secs Computing kpt #: 178 total cpu time spent up to now is 553.4 secs Computing kpt #: 179 total cpu time spent up to now is 556.7 secs Computing kpt #: 180 total cpu time spent up to now is 559.5 secs Computing kpt #: 181 total cpu time spent up to now is 562.7 secs Computing kpt #: 182 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 566.2 secs Computing kpt #: 183 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 569.6 secs Computing kpt #: 184 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 573.0 secs Computing kpt #: 185 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 576.5 secs Computing kpt #: 186 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 579.9 secs Computing kpt #: 187 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 583.3 secs Computing kpt #: 188 total cpu time spent up to now is 586.1 secs Computing kpt #: 189 total cpu time spent up to now is 589.1 secs Computing kpt #: 190 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 592.5 secs Computing kpt #: 191 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 595.9 secs Computing kpt #: 192 total cpu time spent up to now is 599.2 secs Computing kpt #: 193 total cpu time spent up to now is 602.5 secs Computing kpt #: 194 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 605.9 secs Computing kpt #: 195 total cpu time spent up to now is 609.3 secs Computing kpt #: 196 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 612.8 secs Computing kpt #: 197 total cpu time spent up to now is 616.2 secs Computing kpt #: 198 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 619.7 secs Computing kpt #: 199 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 623.2 secs Computing kpt #: 200 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 626.8 secs Computing kpt #: 201 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 630.3 secs Computing kpt #: 202 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 633.8 secs Computing kpt #: 203 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 637.4 secs Computing kpt #: 204 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 640.9 secs Computing kpt #: 205 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 644.5 secs Computing kpt #: 206 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 648.1 secs Computing kpt #: 207 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 651.6 secs Computing kpt #: 208 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 655.1 secs Computing kpt #: 209 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 658.6 secs Computing kpt #: 210 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 662.1 secs Computing kpt #: 211 total cpu time spent up to now is 664.7 secs Computing kpt #: 212 total cpu time spent up to now is 667.2 secs Computing kpt #: 213 total cpu time spent up to now is 669.8 secs Computing kpt #: 214 total cpu time spent up to now is 672.3 secs Computing kpt #: 215 total cpu time spent up to now is 674.9 secs Computing kpt #: 216 total cpu time spent up to now is 677.3 secs Computing kpt #: 217 total cpu time spent up to now is 679.7 secs Computing kpt #: 218 total cpu time spent up to now is 682.1 secs Computing kpt #: 219 total cpu time spent up to now is 684.5 secs Computing kpt #: 220 total cpu time spent up to now is 686.9 secs Computing kpt #: 221 total cpu time spent up to now is 689.3 secs Computing kpt #: 222 total cpu time spent up to now is 691.7 secs Computing kpt #: 223 total cpu time spent up to now is 694.2 secs Computing kpt #: 224 total cpu time spent up to now is 696.8 secs Computing kpt #: 225 total cpu time spent up to now is 699.5 secs Computing kpt #: 226 total cpu time spent up to now is 702.2 secs Computing kpt #: 227 total cpu time spent up to now is 704.9 secs Computing kpt #: 228 total cpu time spent up to now is 707.7 secs Computing kpt #: 229 total cpu time spent up to now is 710.5 secs Computing kpt #: 230 total cpu time spent up to now is 713.1 secs Computing kpt #: 231 total cpu time spent up to now is 715.9 secs Computing kpt #: 232 total cpu time spent up to now is 718.5 secs Computing kpt #: 233 total cpu time spent up to now is 721.2 secs Computing kpt #: 234 total cpu time spent up to now is 723.8 secs Computing kpt #: 235 total cpu time spent up to now is 726.1 secs Computing kpt #: 236 total cpu time spent up to now is 728.6 secs Computing kpt #: 237 total cpu time spent up to now is 731.0 secs Computing kpt #: 238 total cpu time spent up to now is 733.7 secs Computing kpt #: 239 total cpu time spent up to now is 736.3 secs Computing kpt #: 240 total cpu time spent up to now is 739.0 secs Computing kpt #: 241 total cpu time spent up to now is 741.7 secs Computing kpt #: 242 total cpu time spent up to now is 744.3 secs Computing kpt #: 243 total cpu time spent up to now is 747.0 secs Computing kpt #: 244 total cpu time spent up to now is 749.6 secs Computing kpt #: 245 total cpu time spent up to now is 752.7 secs Computing kpt #: 246 total cpu time spent up to now is 755.2 secs Computing kpt #: 247 total cpu time spent up to now is 757.9 secs Computing kpt #: 248 total cpu time spent up to now is 760.5 secs Computing kpt #: 249 total cpu time spent up to now is 763.0 secs Computing kpt #: 250 total cpu time spent up to now is 765.6 secs Computing kpt #: 251 total cpu time spent up to now is 768.2 secs Computing kpt #: 252 total cpu time spent up to now is 770.7 secs Computing kpt #: 253 total cpu time spent up to now is 773.2 secs Computing kpt #: 254 total cpu time spent up to now is 775.8 secs Computing kpt #: 255 total cpu time spent up to now is 778.4 secs Computing kpt #: 256 total cpu time spent up to now is 780.9 secs Computing kpt #: 257 total cpu time spent up to now is 783.4 secs Computing kpt #: 258 total cpu time spent up to now is 786.0 secs Computing kpt #: 259 total cpu time spent up to now is 788.7 secs Computing kpt #: 260 total cpu time spent up to now is 791.3 secs Computing kpt #: 261 total cpu time spent up to now is 793.9 secs Computing kpt #: 262 total cpu time spent up to now is 797.0 secs Computing kpt #: 263 total cpu time spent up to now is 799.6 secs Computing kpt #: 264 total cpu time spent up to now is 802.3 secs Computing kpt #: 265 total cpu time spent up to now is 805.0 secs Computing kpt #: 266 total cpu time spent up to now is 807.8 secs Computing kpt #: 267 total cpu time spent up to now is 810.4 secs Computing kpt #: 268 total cpu time spent up to now is 813.9 secs Computing kpt #: 269 total cpu time spent up to now is 816.9 secs Computing kpt #: 270 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 820.5 secs Computing kpt #: 271 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 826.4 secs Computing kpt #: 272 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 830.4 secs Computing kpt #: 273 total cpu time spent up to now is 833.5 secs Computing kpt #: 274 total cpu time spent up to now is 836.3 secs Computing kpt #: 275 total cpu time spent up to now is 839.2 secs Computing kpt #: 276 total cpu time spent up to now is 842.0 secs Computing kpt #: 277 total cpu time spent up to now is 845.5 secs Computing kpt #: 278 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 849.1 secs Computing kpt #: 279 total cpu time spent up to now is 852.0 secs Computing kpt #: 280 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 855.6 secs Computing kpt #: 281 total cpu time spent up to now is 858.4 secs Computing kpt #: 282 total cpu time spent up to now is 861.2 secs Computing kpt #: 283 total cpu time spent up to now is 864.2 secs Computing kpt #: 284 total cpu time spent up to now is 867.0 secs Computing kpt #: 285 total cpu time spent up to now is 869.7 secs Computing kpt #: 286 total cpu time spent up to now is 872.4 secs Computing kpt #: 287 total cpu time spent up to now is 875.1 secs Computing kpt #: 288 total cpu time spent up to now is 877.9 secs Computing kpt #: 289 total cpu time spent up to now is 880.5 secs Computing kpt #: 290 total cpu time spent up to now is 883.2 secs Computing kpt #: 291 total cpu time spent up to now is 885.9 secs Computing kpt #: 292 total cpu time spent up to now is 888.5 secs Computing kpt #: 293 total cpu time spent up to now is 891.2 secs Computing kpt #: 294 total cpu time spent up to now is 893.8 secs Computing kpt #: 295 total cpu time spent up to now is 896.5 secs Computing kpt #: 296 total cpu time spent up to now is 899.1 secs Computing kpt #: 297 total cpu time spent up to now is 901.6 secs Computing kpt #: 298 total cpu time spent up to now is 904.3 secs Computing kpt #: 299 total cpu time spent up to now is 906.9 secs Computing kpt #: 300 total cpu time spent up to now is 909.4 secs Computing kpt #: 301 total cpu time spent up to now is 912.7 secs Computing kpt #: 302 total cpu time spent up to now is 915.6 secs Computing kpt #: 303 total cpu time spent up to now is 918.6 secs Computing kpt #: 304 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 922.1 secs Computing kpt #: 305 total cpu time spent up to now is 925.5 secs Computing kpt #: 306 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 929.0 secs Computing kpt #: 307 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 932.5 secs Computing kpt #: 308 total cpu time spent up to now is 935.7 secs Computing kpt #: 309 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 939.1 secs Computing kpt #: 310 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 942.6 secs Computing kpt #: 311 total cpu time spent up to now is 945.9 secs Computing kpt #: 312 total cpu time spent up to now is 949.2 secs Computing kpt #: 313 total cpu time spent up to now is 952.2 secs Computing kpt #: 314 total cpu time spent up to now is 955.2 secs Computing kpt #: 315 total cpu time spent up to now is 958.1 secs Computing kpt #: 316 total cpu time spent up to now is 961.2 secs Computing kpt #: 317 total cpu time spent up to now is 964.5 secs Computing kpt #: 318 total cpu time spent up to now is 967.7 secs Computing kpt #: 319 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 971.2 secs Computing kpt #: 320 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 974.7 secs Computing kpt #: 321 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 978.3 secs Computing kpt #: 322 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 981.9 secs Computing kpt #: 323 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 985.5 secs Computing kpt #: 324 total cpu time spent up to now is 987.9 secs Computing kpt #: 325 total cpu time spent up to now is 990.9 secs Computing kpt #: 326 total cpu time spent up to now is 994.2 secs Computing kpt #: 327 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 997.7 secs Computing kpt #: 328 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1001.1 secs Computing kpt #: 329 total cpu time spent up to now is 1003.9 secs Computing kpt #: 330 total cpu time spent up to now is 1007.3 secs Computing kpt #: 331 total cpu time spent up to now is 1010.3 secs Computing kpt #: 332 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1013.7 secs Computing kpt #: 333 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1017.2 secs Computing kpt #: 334 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1020.7 secs Computing kpt #: 335 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1024.2 secs Computing kpt #: 336 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1027.7 secs Computing kpt #: 337 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1031.2 secs Computing kpt #: 338 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1034.8 secs Computing kpt #: 339 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1038.3 secs Computing kpt #: 340 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1041.8 secs Computing kpt #: 341 total cpu time spent up to now is 1044.6 secs Computing kpt #: 342 total cpu time spent up to now is 1047.8 secs Computing kpt #: 343 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1051.3 secs Computing kpt #: 344 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1054.8 secs Computing kpt #: 345 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1058.3 secs Computing kpt #: 346 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1061.8 secs Computing kpt #: 347 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1065.3 secs Computing kpt #: 348 total cpu time spent up to now is 1067.8 secs ethr = 2.08E-11, avg # of iterations = 89.8 total cpu time spent up to now is 1067.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7935 PWs) bands (ev): -36.9493 -36.9493 -36.9487 -36.9487 -18.2307 -18.2307 -18.2122 -18.2122 -17.8681 -17.8681 -17.8411 -17.8411 -17.8394 -17.8394 -17.8296 -17.8296 -11.0311 -11.0311 -10.6578 -10.6578 -10.5959 -10.5959 -10.5910 -10.5910 -0.7312 -0.7312 0.2117 0.2117 0.5064 0.5064 0.5142 0.5142 0.9244 0.9244 1.0443 1.0443 1.0988 1.0988 1.1124 1.1124 1.6170 1.6170 2.1181 2.1181 2.2468 2.2468 2.2664 2.2664 6.7530 6.7530 6.9502 6.9502 7.2386 7.2386 7.6408 7.6408 7.7039 7.7039 k = 0.0135-0.0000-0.0000 ( 7937 PWs) bands (ev): -36.9493 -36.9493 -36.9487 -36.9487 -18.2307 -18.2307 -18.2122 -18.2122 -17.8681 -17.8681 -17.8411 -17.8411 -17.8394 -17.8394 -17.8297 -17.8297 -11.0307 -11.0307 -10.6577 -10.6577 -10.5960 -10.5960 -10.5910 -10.5910 -0.7303 -0.7303 0.2122 0.2122 0.5058 0.5058 0.5147 0.5147 0.9230 0.9230 1.0435 1.0435 1.0979 1.0979 1.1137 1.1137 1.6149 1.6149 2.1160 2.1160 2.2462 2.2462 2.2655 2.2655 6.7557 6.7557 6.9552 6.9552 7.2397 7.2397 7.6393 7.6393 7.7034 7.7034 k = 0.0270-0.0000-0.0000 ( 7927 PWs) bands (ev): -36.9492 -36.9492 -36.9487 -36.9487 -18.2307 -18.2307 -18.2122 -18.2122 -17.8680 -17.8680 -17.8413 -17.8413 -17.8394 -17.8394 -17.8299 -17.8299 -11.0295 -11.0295 -10.6574 -10.6574 -10.5961 -10.5961 -10.5912 -10.5912 -0.7276 -0.7276 0.2136 0.2136 0.5043 0.5043 0.5164 0.5164 0.9189 0.9189 1.0411 1.0411 1.0955 1.0955 1.1169 1.1169 1.6084 1.6084 2.1100 2.1100 2.2443 2.2443 2.2628 2.2628 6.7638 6.7638 6.9700 6.9700 7.2433 7.2433 7.6350 7.6350 7.7018 7.7018 k = 0.0405-0.0000-0.0000 ( 7929 PWs) bands (ev): -36.9492 -36.9492 -36.9486 -36.9486 -18.2308 -18.2308 -18.2124 -18.2124 -17.8678 -17.8678 -17.8416 -17.8416 -17.8394 -17.8394 -17.8303 -17.8303 -11.0274 -11.0274 -10.6568 -10.6568 -10.5964 -10.5964 -10.5915 -10.5915 -0.7231 -0.7231 0.2159 0.2159 0.5018 0.5018 0.5189 0.5189 0.9123 0.9123 1.0365 1.0365 1.0925 1.0925 1.1218 1.1218 1.5977 1.5977 2.1002 2.1002 2.2412 2.2412 2.2583 2.2583 6.7772 6.7772 6.9944 6.9944 7.2493 7.2493 7.6282 7.6282 7.6993 7.6993 k = 0.0541-0.0000-0.0000 ( 7929 PWs) bands (ev): -36.9492 -36.9492 -36.9486 -36.9486 -18.2308 -18.2308 -18.2126 -18.2126 -17.8676 -17.8676 -17.8420 -17.8420 -17.8394 -17.8394 -17.8308 -17.8308 -11.0245 -11.0245 -10.6561 -10.6561 -10.5967 -10.5967 -10.5919 -10.5919 -0.7168 -0.7168 0.2190 0.2190 0.4986 0.4986 0.5224 0.5224 0.9038 0.9038 1.0291 1.0291 1.0896 1.0896 1.1277 1.1277 1.5826 1.5826 2.0869 2.0869 2.2368 2.2368 2.2520 2.2520 6.7956 6.7956 7.0281 7.0281 7.2576 7.2576 7.6197 7.6197 7.6959 7.6959 k = 0.0676-0.0000-0.0000 ( 7937 PWs) bands (ev): -36.9492 -36.9492 -36.9486 -36.9486 -18.2308 -18.2308 -18.2128 -18.2128 -17.8673 -17.8673 -17.8425 -17.8425 -17.8393 -17.8393 -17.8314 -17.8314 -11.0208 -11.0208 -10.6553 -10.6553 -10.5972 -10.5972 -10.5924 -10.5924 -0.7087 -0.7087 0.2230 0.2230 0.4946 0.4946 0.5268 0.5268 0.8935 0.8935 1.0187 1.0187 1.0873 1.0873 1.1344 1.1344 1.5631 1.5631 2.0706 2.0706 2.2310 2.2310 2.2440 2.2440 6.8188 6.8188 7.0705 7.0705 7.2685 7.2685 7.6099 7.6099 7.6917 7.6917 k = 0.0811-0.0000-0.0000 ( 7925 PWs) bands (ev): -36.9491 -36.9491 -36.9486 -36.9486 -18.2309 -18.2309 -18.2131 -18.2131 -17.8670 -17.8670 -17.8432 -17.8432 -17.8393 -17.8393 -17.8321 -17.8321 -11.0163 -11.0163 -10.6542 -10.6542 -10.5977 -10.5977 -10.5930 -10.5930 -0.6989 -0.6989 0.2278 0.2278 0.4899 0.4899 0.5321 0.5321 0.8819 0.8819 1.0052 1.0052 1.0859 1.0859 1.1416 1.1416 1.5394 1.5394 2.0517 2.0517 2.2238 2.2238 2.2343 2.2343 6.8464 6.8464 7.1209 7.1209 7.2819 7.2819 7.5997 7.5997 7.6868 7.6868 k = 0.0946-0.0000-0.0000 ( 7925 PWs) bands (ev): -36.9491 -36.9491 -36.9486 -36.9486 -18.2310 -18.2310 -18.2134 -18.2134 -17.8665 -17.8665 -17.8440 -17.8440 -17.8392 -17.8392 -17.8330 -17.8330 -11.0111 -11.0111 -10.6530 -10.6530 -10.5984 -10.5984 -10.5937 -10.5937 -0.6874 -0.6874 0.2332 0.2332 0.4844 0.4844 0.5383 0.5383 0.8692 0.8692 0.9891 0.9891 1.0852 1.0852 1.1489 1.1489 1.5114 1.5114 2.0308 2.0308 2.2152 2.2152 2.2230 2.2230 6.8781 6.8781 7.1780 7.1780 7.2986 7.2986 7.5897 7.5897 7.6815 7.6815 k = 0.1081-0.0000-0.0000 ( 7919 PWs) bands (ev): -36.9491 -36.9491 -36.9485 -36.9485 -18.2311 -18.2311 -18.2138 -18.2138 -17.8661 -17.8661 -17.8448 -17.8448 -17.8391 -17.8391 -17.8340 -17.8340 -11.0051 -11.0051 -10.6517 -10.6517 -10.5991 -10.5991 -10.5945 -10.5945 -0.6743 -0.6743 0.2392 0.2392 0.4783 0.4783 0.5456 0.5456 0.8555 0.8555 0.9710 0.9710 1.0851 1.0851 1.1561 1.1561 1.4793 1.4793 2.0083 2.0083 2.2051 2.2051 2.2102 2.2102 6.9135 6.9135 7.2390 7.2390 7.3203 7.3203 7.5805 7.5805 7.6762 7.6762 k = 0.1216-0.0000-0.0000 ( 7921 PWs) bands (ev): -36.9490 -36.9490 -36.9485 -36.9485 -18.2312 -18.2312 -18.2142 -18.2142 -17.8655 -17.8655 -17.8458 -17.8458 -17.8390 -17.8390 -17.8351 -17.8351 -10.9984 -10.9984 -10.6503 -10.6503 -10.5999 -10.5999 -10.5954 -10.5954 -0.6595 -0.6595 0.2456 0.2456 0.4715 0.4715 0.5538 0.5538 0.8411 0.8411 0.9514 0.9514 1.0852 1.0852 1.1628 1.1628 1.4435 1.4435 1.9847 1.9847 2.1930 2.1930 2.1964 2.1964 6.9520 6.9520 7.2950 7.2950 7.3551 7.3551 7.5726 7.5726 7.6710 7.6710 k = 0.1351-0.0000-0.0000 ( 7917 PWs) bands (ev): -36.9490 -36.9490 -36.9484 -36.9484 -18.2313 -18.2313 -18.2147 -18.2147 -17.8650 -17.8650 -17.8468 -17.8468 -17.8389 -17.8389 -17.8362 -17.8362 -10.9911 -10.9911 -10.6488 -10.6488 -10.6008 -10.6008 -10.5964 -10.5964 -0.6432 -0.6432 0.2524 0.2524 0.4641 0.4641 0.5630 0.5630 0.8258 0.8258 0.9312 0.9312 1.0856 1.0856 1.1688 1.1688 1.4043 1.4043 1.9603 1.9603 2.1782 2.1782 2.1824 2.1824 6.9933 6.9933 7.3325 7.3325 7.4149 7.4149 7.5665 7.5665 7.6669 7.6669 k = 0.1486-0.0000-0.0000 ( 7921 PWs) bands (ev): -36.9489 -36.9489 -36.9484 -36.9484 -18.2314 -18.2314 -18.2152 -18.2152 -17.8643 -17.8643 -17.8479 -17.8479 -17.8388 -17.8388 -17.8375 -17.8375 -10.9831 -10.9831 -10.6472 -10.6472 -10.6017 -10.6017 -10.5974 -10.5974 -0.6253 -0.6253 0.2593 0.2593 0.4560 0.4560 0.5731 0.5731 0.8098 0.8098 0.9109 0.9109 1.0860 1.0860 1.1736 1.1736 1.3624 1.3624 1.9354 1.9354 2.1611 2.1611 2.1678 2.1678 7.0369 7.0369 7.3597 7.3597 7.4890 7.4890 7.5628 7.5628 7.6652 7.6652 k = 0.1622-0.0000-0.0000 ( 7913 PWs) bands (ev): -36.9489 -36.9489 -36.9483 -36.9483 -18.2315 -18.2315 -18.2158 -18.2158 -17.8637 -17.8637 -17.8490 -17.8490 -17.8390 -17.8390 -17.8385 -17.8385 -10.9744 -10.9744 -10.6457 -10.6457 -10.6028 -10.6028 -10.5985 -10.5985 -0.6060 -0.6060 0.2664 0.2664 0.4474 0.4474 0.5842 0.5842 0.7932 0.7932 0.8914 0.8914 1.0863 1.0863 1.1762 1.1762 1.3192 1.3192 1.9103 1.9103 2.1425 2.1425 2.1520 2.1520 7.0820 7.0820 7.3847 7.3847 7.5539 7.5539 7.5711 7.5711 7.6710 7.6710 k = 0.1757-0.0000-0.0000 ( 7913 PWs) bands (ev): -36.9488 -36.9488 -36.9483 -36.9483 -18.2317 -18.2317 -18.2164 -18.2164 -17.8630 -17.8630 -17.8503 -17.8503 -17.8403 -17.8403 -17.8385 -17.8385 -10.9652 -10.9652 -10.6441 -10.6441 -10.6038 -10.6038 -10.5997 -10.5997 -0.5853 -0.5853 0.2733 0.2733 0.4380 0.4380 0.5959 0.5959 0.7761 0.7761 0.8730 0.8730 1.0863 1.0863 1.1742 1.1742 1.2773 1.2773 1.8852 1.8852 2.1227 2.1227 2.1349 2.1349 7.1284 7.1284 7.4092 7.4092 7.5590 7.5590 7.6183 7.6183 7.6908 7.6908 k = 0.1892-0.0000-0.0000 ( 7901 PWs) bands (ev): -36.9487 -36.9487 -36.9482 -36.9482 -18.2318 -18.2318 -18.2170 -18.2170 -17.8622 -17.8622 -17.8515 -17.8515 -17.8418 -17.8418 -17.8383 -17.8383 -10.9555 -10.9555 -10.6426 -10.6426 -10.6049 -10.6049 -10.6009 -10.6009 -0.5634 -0.5634 0.2799 0.2799 0.4280 0.4280 0.6081 0.6081 0.7591 0.7591 0.8563 0.8563 1.0857 1.0857 1.1612 1.1612 1.2438 1.2438 1.8604 1.8604 2.1017 2.1017 2.1164 2.1164 7.1757 7.1757 7.4330 7.4330 7.5619 7.5619 7.6355 7.6355 7.6937 7.6937 k = 0.2027-0.0000-0.0000 ( 7885 PWs) bands (ev): -36.9487 -36.9487 -36.9482 -36.9482 -18.2320 -18.2320 -18.2176 -18.2176 -17.8615 -17.8615 -17.8528 -17.8528 -17.8432 -17.8432 -17.8382 -17.8382 -10.9453 -10.9453 -10.6412 -10.6412 -10.6061 -10.6061 -10.6022 -10.6022 -0.5402 -0.5402 0.2862 0.2862 0.4173 0.4173 0.6200 0.6200 0.7433 0.7433 0.8415 0.8415 1.0835 1.0835 1.1308 1.1308 1.2265 1.2265 1.8359 1.8359 2.0797 2.0797 2.0966 2.0966 7.2233 7.2233 7.4554 7.4554 7.5668 7.5668 7.6450 7.6450 7.6977 7.6977 k = 0.2162-0.0000-0.0000 ( 7877 PWs) bands (ev): -36.9486 -36.9486 -36.9481 -36.9481 -18.2322 -18.2322 -18.2183 -18.2183 -17.8607 -17.8607 -17.8541 -17.8541 -17.8447 -17.8447 -17.8381 -17.8381 -10.9346 -10.9346 -10.6399 -10.6399 -10.6073 -10.6073 -10.6036 -10.6036 -0.5158 -0.5158 0.2919 0.2919 0.4058 0.4058 0.6302 0.6302 0.7304 0.7304 0.8286 0.8286 1.0703 1.0703 1.0977 1.0977 1.2204 1.2204 1.8120 1.8120 2.0569 2.0569 2.0754 2.0754 7.2709 7.2709 7.4751 7.4751 7.5739 7.5739 7.6568 7.6568 7.7035 7.7035 k = 0.2297-0.0000-0.0000 ( 7879 PWs) bands (ev): -36.9485 -36.9485 -36.9481 -36.9481 -18.2323 -18.2323 -18.2190 -18.2190 -17.8599 -17.8599 -17.8555 -17.8555 -17.8463 -17.8463 -17.8380 -17.8380 -10.9236 -10.9236 -10.6388 -10.6388 -10.6085 -10.6085 -10.6049 -10.6049 -0.4905 -0.4905 0.2970 0.2970 0.3934 0.3934 0.6366 0.6366 0.7230 0.7230 0.8177 0.8177 1.0270 1.0270 1.0889 1.0889 1.2182 1.2182 1.7888 1.7888 2.0333 2.0333 2.0530 2.0530 7.3182 7.3182 7.4912 7.4912 7.5830 7.5830 7.6740 7.6740 7.7113 7.7113 k = 0.2432-0.0000-0.0000 ( 7888 PWs) bands (ev): -36.9485 -36.9485 -36.9480 -36.9480 -18.2325 -18.2325 -18.2198 -18.2198 -17.8592 -17.8592 -17.8567 -17.8567 -17.8478 -17.8478 -17.8379 -17.8379 -10.9122 -10.9122 -10.6379 -10.6379 -10.6097 -10.6097 -10.6063 -10.6063 -0.4642 -0.4642 0.3013 0.3013 0.3802 0.3802 0.6367 0.6367 0.7234 0.7234 0.8092 0.8092 0.9754 0.9754 1.0859 1.0859 1.2167 1.2167 1.7666 1.7666 2.0090 2.0090 2.0294 2.0294 7.3648 7.3648 7.5035 7.5035 7.5940 7.5940 7.6972 7.6972 7.7210 7.7210 k = 0.2568-0.0000-0.0000 ( 7892 PWs) bands (ev): -36.9484 -36.9484 -36.9480 -36.9480 -18.2327 -18.2327 -18.2206 -18.2206 -17.8588 -17.8588 -17.8577 -17.8577 -17.8492 -17.8492 -17.8378 -17.8378 -10.9005 -10.9005 -10.6372 -10.6372 -10.6109 -10.6109 -10.6076 -10.6076 -0.4370 -0.4370 0.3047 0.3047 0.3663 0.3663 0.6314 0.6314 0.7301 0.7301 0.8035 0.8035 0.9228 0.9228 1.0832 1.0832 1.2149 1.2149 1.7455 1.7455 1.9840 1.9840 2.0048 2.0048 7.4106 7.4106 7.5126 7.5126 7.6068 7.6068 7.7242 7.7242 7.7344 7.7344 k = 0.2703-0.0000-0.0000 ( 7884 PWs) bands (ev): -36.9483 -36.9483 -36.9479 -36.9479 -18.2329 -18.2329 -18.2214 -18.2214 -17.8596 -17.8596 -17.8576 -17.8576 -17.8505 -17.8505 -17.8378 -17.8378 -10.8886 -10.8886 -10.6368 -10.6368 -10.6121 -10.6121 -10.6090 -10.6090 -0.4091 -0.4091 0.3072 0.3072 0.3518 0.3518 0.6234 0.6234 0.7381 0.7381 0.8012 0.8012 0.8723 0.8723 1.0803 1.0803 1.2123 1.2123 1.7257 1.7257 1.9582 1.9582 1.9795 1.9795 7.4554 7.4554 7.5196 7.5196 7.6211 7.6211 7.7417 7.7417 7.7636 7.7636 k = 0.2838-0.0000-0.0000 ( 7888 PWs) bands (ev): -36.9482 -36.9482 -36.9479 -36.9479 -18.2331 -18.2331 -18.2222 -18.2222 -17.8608 -17.8608 -17.8573 -17.8573 -17.8515 -17.8515 -17.8377 -17.8377 -10.8765 -10.8765 -10.6367 -10.6367 -10.6133 -10.6133 -10.6104 -10.6104 -0.3806 -0.3806 0.3086 0.3086 0.3369 0.3369 0.6150 0.6150 0.7416 0.7416 0.7941 0.7941 0.8365 0.8365 1.0770 1.0770 1.2087 1.2087 1.7074 1.7074 1.9316 1.9316 1.9538 1.9538 7.4990 7.4990 7.5256 7.5256 7.6367 7.6367 7.7553 7.7553 7.8017 7.8017 k = 0.2973-0.0000-0.0000 ( 7890 PWs) bands (ev): -36.9482 -36.9482 -36.9478 -36.9478 -18.2332 -18.2332 -18.2230 -18.2230 -17.8620 -17.8620 -17.8574 -17.8574 -17.8521 -17.8521 -17.8377 -17.8377 -10.8642 -10.8642 -10.6369 -10.6369 -10.6145 -10.6145 -10.6117 -10.6117 -0.3516 -0.3516 0.3089 0.3089 0.3219 0.3219 0.6072 0.6072 0.7319 0.7319 0.7658 0.7658 0.8397 0.8397 1.0731 1.0731 1.2040 1.2040 1.6908 1.6908 1.9037 1.9037 1.9282 1.9282 7.5311 7.5311 7.5417 7.5417 7.6534 7.6534 7.7691 7.7691 7.8435 7.8435 k = 0.3108-0.0000-0.0000 ( 7898 PWs) bands (ev): -36.9481 -36.9481 -36.9478 -36.9478 -18.2334 -18.2334 -18.2238 -18.2238 -17.8631 -17.8631 -17.8580 -17.8580 -17.8521 -17.8521 -17.8378 -17.8378 -10.8519 -10.8519 -10.6375 -10.6375 -10.6156 -10.6156 -10.6131 -10.6131 -0.3222 -0.3222 0.3056 0.3056 0.3096 0.3096 0.6002 0.6002 0.6954 0.6954 0.7524 0.7524 0.8594 0.8594 1.0688 1.0688 1.1980 1.1980 1.6760 1.6760 1.8745 1.8745 1.9032 1.9032 7.5376 7.5376 7.5823 7.5823 7.6708 7.6708 7.7832 7.7832 7.8879 7.8879 k = 0.3243-0.0000-0.0000 ( 7888 PWs) bands (ev): -36.9480 -36.9480 -36.9477 -36.9477 -18.2335 -18.2335 -18.2246 -18.2246 -17.8642 -17.8642 -17.8590 -17.8590 -17.8516 -17.8516 -17.8378 -17.8378 -10.8395 -10.8395 -10.6385 -10.6385 -10.6167 -10.6167 -10.6143 -10.6143 -0.2925 -0.2925 0.2923 0.2923 0.3067 0.3067 0.5925 0.5925 0.6516 0.6516 0.7468 0.7468 0.8846 0.8846 1.0641 1.0641 1.1910 1.1910 1.6631 1.6631 1.8437 1.8437 1.8790 1.8790 7.5448 7.5448 7.6217 7.6217 7.6889 7.6889 7.7972 7.7972 7.9344 7.9344 k = 0.3378-0.0000-0.0000 ( 7884 PWs) bands (ev): -36.9480 -36.9480 -36.9477 -36.9477 -18.2337 -18.2337 -18.2254 -18.2254 -17.8652 -17.8652 -17.8601 -17.8601 -17.8509 -17.8509 -17.8379 -17.8379 -10.8272 -10.8272 -10.6400 -10.6400 -10.6178 -10.6178 -10.6156 -10.6156 -0.2627 -0.2627 0.2790 0.2790 0.3032 0.3032 0.5764 0.5764 0.6175 0.6175 0.7423 0.7423 0.9129 0.9129 1.0592 1.0592 1.1828 1.1828 1.6523 1.6523 1.8114 1.8114 1.8557 1.8557 7.5533 7.5533 7.6595 7.6595 7.7073 7.7073 7.8110 7.8110 7.9824 7.9824 k = 0.3514-0.0000-0.0000 ( 7886 PWs) bands (ev): -36.9479 -36.9479 -36.9476 -36.9476 -18.2338 -18.2338 -18.2261 -18.2261 -17.8662 -17.8662 -17.8613 -17.8613 -17.8501 -17.8501 -17.8380 -17.8380 -10.8150 -10.8150 -10.6419 -10.6419 -10.6188 -10.6188 -10.6167 -10.6167 -0.2328 -0.2328 0.2669 0.2669 0.2983 0.2983 0.5417 0.5417 0.6051 0.6051 0.7379 0.7379 0.9432 0.9432 1.0542 1.0542 1.1737 1.1737 1.6435 1.6435 1.7779 1.7779 1.8335 1.8335 7.5632 7.5632 7.6954 7.6954 7.7259 7.7259 7.8243 7.8243 8.0314 8.0314 k = 0.3649-0.0000-0.0000 ( 7896 PWs) bands (ev): -36.9478 -36.9478 -36.9476 -36.9476 -18.2338 -18.2338 -18.2269 -18.2269 -17.8671 -17.8671 -17.8625 -17.8625 -17.8493 -17.8493 -17.8381 -17.8381 -10.8029 -10.8029 -10.6443 -10.6443 -10.6197 -10.6197 -10.6179 -10.6179 -0.2030 -0.2030 0.2564 0.2564 0.2916 0.2916 0.5008 0.5008 0.6026 0.6026 0.7334 0.7334 0.9749 0.9749 1.0493 1.0493 1.1639 1.1639 1.6366 1.6366 1.7432 1.7432 1.8122 1.8122 7.5746 7.5746 7.7288 7.7288 7.7450 7.7450 7.8368 7.8368 8.0806 8.0806 k = 0.3784-0.0000-0.0000 ( 7902 PWs) bands (ev): -36.9478 -36.9478 -36.9476 -36.9476 -18.2339 -18.2339 -18.2277 -18.2277 -17.8679 -17.8679 -17.8637 -17.8637 -17.8485 -17.8485 -17.8383 -17.8383 -10.7909 -10.7909 -10.6472 -10.6472 -10.6206 -10.6206 -10.6189 -10.6189 -0.1733 -0.1733 0.2475 0.2475 0.2828 0.2828 0.4607 0.4607 0.6035 0.6035 0.7288 0.7288 1.0073 1.0073 1.0449 1.0449 1.1539 1.1539 1.6317 1.6317 1.7075 1.7075 1.7920 1.7920 7.5878 7.5878 7.7565 7.7565 7.7672 7.7672 7.8484 7.8484 8.1239 8.1239 k = 0.3919-0.0000-0.0000 ( 7910 PWs) bands (ev): -36.9477 -36.9477 -36.9475 -36.9475 -18.2339 -18.2339 -18.2284 -18.2284 -17.8685 -17.8685 -17.8648 -17.8648 -17.8476 -17.8476 -17.8386 -17.8386 -10.7792 -10.7792 -10.6507 -10.6507 -10.6214 -10.6214 -10.6199 -10.6199 -0.1438 -0.1438 0.2407 0.2407 0.2715 0.2715 0.4234 0.4234 0.6064 0.6064 0.7238 0.7238 1.0354 1.0354 1.0456 1.0456 1.1445 1.1445 1.6285 1.6285 1.6711 1.6711 1.7729 1.7729 7.6026 7.6026 7.7761 7.7761 7.7941 7.7941 7.8590 7.8590 8.0968 8.0968 k = 0.4054-0.0000-0.0000 ( 7914 PWs) bands (ev): -36.9477 -36.9477 -36.9475 -36.9475 -18.2339 -18.2339 -18.2291 -18.2291 -17.8691 -17.8691 -17.8658 -17.8658 -17.8468 -17.8468 -17.8388 -17.8388 -10.7678 -10.7678 -10.6547 -10.6547 -10.6221 -10.6221 -10.6207 -10.6207 -0.1146 -0.1146 0.2359 0.2359 0.2572 0.2572 0.3900 0.3900 0.6107 0.6107 0.7185 0.7185 1.0359 1.0359 1.0722 1.0722 1.1382 1.1382 1.6254 1.6254 1.6356 1.6356 1.7549 1.7549 7.6192 7.6192 7.7929 7.7929 7.8191 7.8191 7.8687 7.8687 8.0680 8.0680 k = 0.4189-0.0000-0.0000 ( 7918 PWs) bands (ev): -36.9476 -36.9476 -36.9475 -36.9475 -18.2339 -18.2339 -18.2297 -18.2297 -17.8696 -17.8696 -17.8667 -17.8667 -17.8460 -17.8460 -17.8391 -17.8391 -10.7566 -10.7566 -10.6592 -10.6592 -10.6227 -10.6227 -10.6215 -10.6215 -0.0858 -0.0858 0.2329 0.2329 0.2396 0.2396 0.3610 0.3610 0.6163 0.6163 0.7126 0.7126 1.0339 1.0339 1.0909 1.0909 1.1441 1.1441 1.5945 1.5945 1.6288 1.6288 1.7380 1.7380 7.6374 7.6374 7.8083 7.8083 7.8384 7.8384 7.8774 7.8774 8.0438 8.0438 k = 0.4324-0.0000-0.0000 ( 7920 PWs) bands (ev): -36.9476 -36.9476 -36.9475 -36.9475 -18.2338 -18.2338 -18.2303 -18.2303 -17.8700 -17.8700 -17.8676 -17.8676 -17.8452 -17.8452 -17.8395 -17.8395 -10.7459 -10.7459 -10.6643 -10.6643 -10.6232 -10.6232 -10.6222 -10.6222 -0.0572 -0.0572 0.2172 0.2172 0.2333 0.2333 0.3367 0.3367 0.6229 0.6229 0.7061 0.7061 1.0329 1.0329 1.0912 1.0912 1.1697 1.1697 1.5561 1.5561 1.6306 1.6306 1.7223 1.7223 7.6573 7.6573 7.8222 7.8222 7.8499 7.8499 7.8839 7.8839 8.0281 8.0281 k = 0.4459-0.0000-0.0000 ( 7928 PWs) bands (ev): -36.9476 -36.9476 -36.9475 -36.9475 -18.2337 -18.2337 -18.2309 -18.2309 -17.8702 -17.8702 -17.8683 -17.8683 -17.8445 -17.8445 -17.8399 -17.8399 -10.7355 -10.7355 -10.6700 -10.6700 -10.6236 -10.6236 -10.6228 -10.6228 -0.0290 -0.0290 0.1928 0.1928 0.2350 0.2350 0.3166 0.3166 0.6304 0.6304 0.6990 0.6990 1.0332 1.0332 1.0837 1.0837 1.2042 1.2042 1.5171 1.5171 1.6340 1.6340 1.7078 1.7078 7.6788 7.6788 7.8340 7.8340 7.8525 7.8525 7.8859 7.8859 8.0247 8.0247 k = 0.4595-0.0000-0.0000 ( 7924 PWs) bands (ev): -36.9475 -36.9475 -36.9474 -36.9474 -18.2335 -18.2335 -18.2314 -18.2314 -17.8704 -17.8704 -17.8689 -17.8689 -17.8438 -17.8438 -17.8403 -17.8403 -10.7255 -10.7255 -10.6763 -10.6763 -10.6239 -10.6239 -10.6233 -10.6233 -0.0009 -0.0009 0.1663 0.1663 0.2389 0.2389 0.2997 0.2997 0.6385 0.6385 0.6913 0.6913 1.0350 1.0350 1.0746 1.0746 1.2414 1.2414 1.4777 1.4777 1.6388 1.6388 1.6944 1.6944 7.7016 7.7016 7.8374 7.8374 7.8516 7.8516 7.8843 7.8843 8.0340 8.0340 k = 0.4730-0.0000-0.0000 ( 7922 PWs) bands (ev): -36.9475 -36.9475 -36.9474 -36.9474 -18.2332 -18.2332 -18.2319 -18.2319 -17.8704 -17.8704 -17.8695 -17.8695 -17.8431 -17.8431 -17.8408 -17.8408 -10.7160 -10.7160 -10.6832 -10.6832 -10.6241 -10.6241 -10.6237 -10.6237 0.0270 0.0270 0.1388 0.1388 0.2447 0.2447 0.2852 0.2852 0.6472 0.6472 0.6830 0.6830 1.0384 1.0384 1.0655 1.0655 1.2799 1.2799 1.4380 1.4380 1.6450 1.6450 1.6821 1.6821 7.7256 7.7256 7.8225 7.8225 7.8588 7.8588 7.8815 7.8815 8.0519 8.0519 k = 0.4865-0.0000-0.0000 ( 7910 PWs) bands (ev): -36.9475 -36.9475 -36.9474 -36.9474 -18.2330 -18.2330 -18.2323 -18.2323 -17.8703 -17.8703 -17.8698 -17.8698 -17.8424 -17.8424 -17.8413 -17.8413 -10.7070 -10.7070 -10.6906 -10.6906 -10.6241 -10.6241 -10.6239 -10.6239 0.0549 0.0549 0.1108 0.1108 0.2524 0.2524 0.2727 0.2727 0.6562 0.6562 0.6742 0.6742 1.0433 1.0433 1.0570 1.0570 1.3190 1.3190 1.3983 1.3983 1.6525 1.6525 1.6710 1.6710 7.7505 7.7505 7.8003 7.8003 7.8665 7.8665 7.8778 7.8778 8.0746 8.0746 k = 0.5000-0.0000-0.0000 ( 7910 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2326 -18.2326 -18.2326 -18.2326 -17.8702 -17.8702 -17.8701 -17.8701 -17.8418 -17.8418 -17.8418 -17.8418 -10.6985 -10.6985 -10.6985 -10.6985 -10.6241 -10.6241 -10.6241 -10.6241 0.0828 0.0828 0.0828 0.0828 0.2617 0.2617 0.2617 0.2617 0.6653 0.6653 0.6653 0.6653 1.0495 1.0495 1.0495 1.0495 1.3586 1.3586 1.3586 1.3586 1.6611 1.6611 1.6611 1.6611 7.7757 7.7757 7.7757 7.7757 7.8729 7.8729 7.8729 7.8729 8.0998 8.0998 k = 0.5000-0.0000-0.0000 ( 7910 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2326 -18.2326 -18.2326 -18.2326 -17.8702 -17.8702 -17.8701 -17.8701 -17.8418 -17.8418 -17.8418 -17.8418 -10.6985 -10.6985 -10.6985 -10.6985 -10.6241 -10.6241 -10.6241 -10.6241 0.0828 0.0828 0.0828 0.0828 0.2617 0.2617 0.2617 0.2617 0.6653 0.6653 0.6653 0.6653 1.0495 1.0495 1.0495 1.0495 1.3586 1.3586 1.3586 1.3586 1.6611 1.6611 1.6611 1.6611 7.7757 7.7757 7.7757 7.7757 7.8729 7.8729 7.8729 7.8729 8.0998 8.0998 k = 0.5000 0.0137-0.0000 ( 7908 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2330 -18.2330 -18.2323 -18.2323 -17.8707 -17.8707 -17.8696 -17.8696 -17.8420 -17.8420 -17.8417 -17.8417 -10.6985 -10.6985 -10.6985 -10.6985 -10.6243 -10.6243 -10.6240 -10.6240 0.0778 0.0778 0.0872 0.0872 0.2604 0.2604 0.2624 0.2624 0.6546 0.6546 0.6759 0.6759 1.0432 1.0432 1.0549 1.0549 1.3504 1.3504 1.3693 1.3693 1.6601 1.6601 1.6630 1.6630 7.7666 7.7666 7.7759 7.7759 7.8682 7.8682 7.8801 7.8801 8.1013 8.1013 k = 0.5000 0.0275-0.0000 ( 7908 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2334 -18.2334 -18.2319 -18.2319 -17.8713 -17.8713 -17.8690 -17.8690 -17.8421 -17.8421 -17.8416 -17.8416 -10.6985 -10.6985 -10.6985 -10.6985 -10.6244 -10.6244 -10.6239 -10.6239 0.0721 0.0721 0.0906 0.0906 0.2583 0.2583 0.2624 0.2624 0.6441 0.6441 0.6861 0.6861 1.0361 1.0361 1.0594 1.0594 1.3452 1.3452 1.3823 1.3823 1.6599 1.6599 1.6658 1.6658 7.7507 7.7507 7.7659 7.7659 7.8680 7.8680 7.8878 7.8878 8.1089 8.1089 k = 0.5000 0.0412-0.0000 ( 7936 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2338 -18.2338 -18.2315 -18.2315 -17.8719 -17.8719 -17.8685 -17.8685 -17.8422 -17.8422 -17.8415 -17.8415 -10.6984 -10.6984 -10.6984 -10.6984 -10.6246 -10.6246 -10.6238 -10.6238 0.0659 0.0659 0.0928 0.0928 0.2553 0.2553 0.2621 0.2621 0.6340 0.6340 0.6959 0.6959 1.0283 1.0283 1.0630 1.0630 1.3429 1.3429 1.3970 1.3970 1.6605 1.6605 1.6697 1.6697 7.7299 7.7299 7.7474 7.7474 7.8717 7.8717 7.8951 7.8951 8.1217 8.1218 k = 0.5000 0.0550-0.0000 ( 7940 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2342 -18.2342 -18.2312 -18.2312 -17.8725 -17.8725 -17.8680 -17.8680 -17.8423 -17.8423 -17.8413 -17.8413 -10.6983 -10.6983 -10.6983 -10.6983 -10.6249 -10.6249 -10.6238 -10.6238 0.0593 0.0593 0.0938 0.0938 0.2515 0.2515 0.2615 0.2615 0.6247 0.6247 0.7051 0.7051 1.0198 1.0198 1.0657 1.0657 1.3434 1.3434 1.4127 1.4127 1.6619 1.6619 1.6750 1.6750 7.7053 7.7053 7.7230 7.7230 7.8781 7.8781 7.9023 7.9023 8.1385 8.1385 k = 0.5000 0.0687-0.0000 ( 7940 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2346 -18.2346 -18.2308 -18.2308 -17.8731 -17.8731 -17.8676 -17.8676 -17.8423 -17.8423 -17.8411 -17.8411 -10.6982 -10.6982 -10.6982 -10.6982 -10.6251 -10.6251 -10.6238 -10.6238 0.0525 0.0525 0.0933 0.0933 0.2468 0.2468 0.2610 0.2610 0.6163 0.6163 0.7137 0.7137 1.0108 1.0108 1.0676 1.0676 1.3462 1.3462 1.4288 1.4288 1.6644 1.6644 1.6820 1.6820 7.6780 7.6780 7.6948 7.6948 7.8859 7.8859 7.9095 7.9095 8.1578 8.1578 k = 0.5000 0.0824-0.0000 ( 7936 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2349 -18.2349 -18.2304 -18.2304 -17.8736 -17.8736 -17.8671 -17.8671 -17.8423 -17.8423 -17.8410 -17.8410 -10.6981 -10.6981 -10.6980 -10.6980 -10.6254 -10.6254 -10.6238 -10.6238 0.0455 0.0455 0.0912 0.0912 0.2414 0.2414 0.2607 0.2607 0.6091 0.6091 0.7217 0.7217 1.0013 1.0013 1.0688 1.0688 1.3511 1.3511 1.4444 1.4444 1.6680 1.6680 1.6910 1.6910 7.6486 7.6486 7.6642 7.6642 7.8948 7.8948 7.9171 7.9171 8.1786 8.1786 k = 0.5000 0.0962-0.0000 ( 7936 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2353 -18.2353 -18.2301 -18.2301 -17.8742 -17.8742 -17.8667 -17.8667 -17.8423 -17.8423 -17.8408 -17.8408 -10.6979 -10.6979 -10.6979 -10.6979 -10.6257 -10.6257 -10.6238 -10.6238 0.0384 0.0384 0.0875 0.0875 0.2353 0.2353 0.2606 0.2606 0.6032 0.6032 0.7291 0.7291 0.9913 0.9913 1.0694 1.0694 1.3574 1.3574 1.4590 1.4590 1.6728 1.6728 1.7023 1.7023 7.6178 7.6178 7.6320 7.6320 7.9044 7.9044 7.9253 7.9253 8.1999 8.1999 k = 0.5000 0.1099-0.0000 ( 7932 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2357 -18.2357 -18.2298 -18.2298 -17.8747 -17.8747 -17.8663 -17.8663 -17.8423 -17.8423 -17.8406 -17.8406 -10.6978 -10.6978 -10.6977 -10.6977 -10.6260 -10.6260 -10.6239 -10.6239 0.0312 0.0312 0.0823 0.0823 0.2287 0.2287 0.2610 0.2610 0.5989 0.5989 0.7362 0.7362 0.9808 0.9808 1.0694 1.0694 1.3646 1.3646 1.4720 1.4720 1.6791 1.6791 1.7160 1.7160 7.5861 7.5861 7.5988 7.5988 7.9147 7.9147 7.9341 7.9341 8.2212 8.2212 k = 0.5000 0.1237-0.0000 ( 7920 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2360 -18.2360 -18.2294 -18.2294 -17.8752 -17.8752 -17.8659 -17.8659 -17.8423 -17.8423 -17.8404 -17.8404 -10.6976 -10.6976 -10.6975 -10.6975 -10.6263 -10.6263 -10.6240 -10.6240 0.0240 0.0240 0.0757 0.0757 0.2216 0.2216 0.2616 0.2616 0.5962 0.5962 0.7431 0.7431 0.9698 0.9698 1.0688 1.0688 1.3721 1.3721 1.4830 1.4830 1.6869 1.6869 1.7322 1.7322 7.5539 7.5539 7.5652 7.5652 7.9255 7.9255 7.9435 7.9435 8.2419 8.2421 k = 0.5000 0.1374-0.0000 ( 7912 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2363 -18.2363 -18.2291 -18.2291 -17.8758 -17.8758 -17.8655 -17.8655 -17.8423 -17.8423 -17.8402 -17.8402 -10.6974 -10.6974 -10.6973 -10.6973 -10.6266 -10.6266 -10.6241 -10.6241 0.0169 0.0169 0.0680 0.0680 0.2142 0.2142 0.2625 0.2625 0.5952 0.5952 0.7499 0.7499 0.9582 0.9582 1.0675 1.0675 1.3797 1.3797 1.4922 1.4922 1.6961 1.6961 1.7506 1.7506 7.5217 7.5217 7.5315 7.5315 7.9366 7.9366 7.9533 7.9533 8.2618 8.2622 k = 0.5000 0.1511-0.0000 ( 7906 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2366 -18.2366 -18.2288 -18.2288 -17.8762 -17.8762 -17.8652 -17.8652 -17.8422 -17.8422 -17.8401 -17.8401 -10.6971 -10.6971 -10.6971 -10.6971 -10.6269 -10.6269 -10.6242 -10.6242 0.0099 0.0099 0.0594 0.0594 0.2066 0.2066 0.2635 0.2635 0.5961 0.5961 0.7569 0.7569 0.9461 0.9461 1.0653 1.0653 1.3869 1.3869 1.4994 1.4994 1.7068 1.7068 1.7707 1.7707 7.4898 7.4898 7.4982 7.4982 7.9479 7.9479 7.9635 7.9635 8.2806 8.2806 k = 0.5000 0.1649-0.0000 ( 7900 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2369 -18.2369 -18.2286 -18.2286 -17.8767 -17.8767 -17.8649 -17.8649 -17.8422 -17.8422 -17.8399 -17.8399 -10.6969 -10.6969 -10.6969 -10.6969 -10.6272 -10.6272 -10.6243 -10.6243 0.0031 0.0031 0.0503 0.0503 0.1990 0.1990 0.2645 0.2645 0.5988 0.5988 0.7641 0.7641 0.9334 0.9334 1.0624 1.0624 1.3936 1.3936 1.5050 1.5050 1.7187 1.7187 1.7920 1.7920 7.4585 7.4585 7.4655 7.4655 7.9593 7.9593 7.9738 7.9738 8.2980 8.2981 k = 0.5000 0.1786-0.0000 ( 7900 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2372 -18.2372 -18.2283 -18.2283 -17.8771 -17.8771 -17.8647 -17.8647 -17.8421 -17.8421 -17.8397 -17.8397 -10.6967 -10.6967 -10.6967 -10.6967 -10.6276 -10.6276 -10.6244 -10.6244 -0.0034 -0.0034 0.0409 0.0409 0.1914 0.1914 0.2654 0.2654 0.6032 0.6032 0.7716 0.7716 0.9201 0.9201 1.0586 1.0586 1.3995 1.3995 1.5093 1.5093 1.7315 1.7315 1.8140 1.8140 7.4282 7.4282 7.4339 7.4339 7.9705 7.9705 7.9841 7.9841 8.3140 8.3140 k = 0.5000 0.1923-0.0000 ( 7904 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2374 -18.2374 -18.2281 -18.2281 -17.8775 -17.8775 -17.8645 -17.8645 -17.8420 -17.8420 -17.8396 -17.8396 -10.6965 -10.6965 -10.6964 -10.6964 -10.6279 -10.6279 -10.6245 -10.6245 -0.0097 -0.0097 0.0315 0.0315 0.1841 0.1841 0.2662 0.2662 0.6095 0.6095 0.7794 0.7794 0.9061 0.9061 1.0538 1.0538 1.4049 1.4049 1.5124 1.5124 1.7450 1.7450 1.8360 1.8360 7.3992 7.3992 7.4036 7.4036 7.9815 7.9815 7.9942 7.9942 8.3285 8.3285 k = 0.5000 0.2061-0.0000 ( 7904 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2377 -18.2377 -18.2279 -18.2279 -17.8779 -17.8779 -17.8643 -17.8643 -17.8420 -17.8420 -17.8395 -17.8395 -10.6963 -10.6963 -10.6962 -10.6962 -10.6282 -10.6282 -10.6247 -10.6247 -0.0156 -0.0156 0.0223 0.0223 0.1771 0.1771 0.2667 0.2667 0.6174 0.6174 0.7877 0.7877 0.8916 0.8916 1.0482 1.0482 1.4095 1.4095 1.5148 1.5148 1.7588 1.7588 1.8575 1.8575 7.3719 7.3719 7.3750 7.3750 7.9921 7.9921 8.0039 8.0039 8.3414 8.3414 k = 0.5000 0.2198-0.0000 ( 7924 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2379 -18.2379 -18.2277 -18.2277 -17.8783 -17.8783 -17.8641 -17.8641 -17.8419 -17.8419 -17.8394 -17.8394 -10.6961 -10.6961 -10.6960 -10.6960 -10.6285 -10.6285 -10.6248 -10.6248 -0.0211 -0.0211 0.0135 0.0135 0.1705 0.1705 0.2671 0.2671 0.6269 0.6269 0.7962 0.7962 0.8765 0.8765 1.0419 1.0419 1.4135 1.4135 1.5165 1.5165 1.7724 1.7724 1.8780 1.8780 7.3464 7.3464 7.3484 7.3484 8.0019 8.0019 8.0131 8.0131 8.3527 8.3527 k = 0.5000 0.2336-0.0000 ( 7924 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2381 -18.2381 -18.2275 -18.2275 -17.8786 -17.8786 -17.8640 -17.8640 -17.8418 -17.8418 -17.8392 -17.8392 -10.6959 -10.6959 -10.6958 -10.6958 -10.6287 -10.6287 -10.6249 -10.6249 -0.0260 -0.0260 0.0054 0.0054 0.1645 0.1645 0.2672 0.2672 0.6378 0.6378 0.8050 0.8050 0.8608 0.8608 1.0349 1.0349 1.4169 1.4169 1.5178 1.5178 1.7854 1.7854 1.8972 1.8972 7.3232 7.3232 7.3240 7.3240 8.0111 8.0111 8.0216 8.0216 8.3625 8.3625 k = 0.5000 0.2473-0.0000 ( 7932 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2383 -18.2383 -18.2274 -18.2274 -17.8789 -17.8789 -17.8639 -17.8639 -17.8418 -17.8418 -17.8392 -17.8392 -10.6957 -10.6957 -10.6957 -10.6957 -10.6289 -10.6289 -10.6250 -10.6250 -0.0305 -0.0305 -0.0019 -0.0019 0.1591 0.1591 0.2672 0.2672 0.6500 0.6500 0.8138 0.8138 0.8447 0.8447 1.0275 1.0275 1.4198 1.4198 1.5187 1.5187 1.7976 1.7976 1.9145 1.9145 7.3023 7.3023 7.3025 7.3025 8.0193 8.0193 8.0293 8.0293 8.3708 8.3708 k = 0.5000 0.2610-0.0000 ( 7936 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2384 -18.2384 -18.2273 -18.2273 -17.8791 -17.8791 -17.8638 -17.8638 -17.8417 -17.8417 -17.8391 -17.8391 -10.6956 -10.6956 -10.6955 -10.6955 -10.6291 -10.6291 -10.6251 -10.6251 -0.0343 -0.0343 -0.0083 -0.0083 0.1545 0.1545 0.2671 0.2671 0.6634 0.6634 0.8223 0.8223 0.8281 0.8281 1.0201 1.0201 1.4222 1.4222 1.5194 1.5194 1.8085 1.8085 1.9297 1.9297 7.2834 7.2834 7.2845 7.2845 8.0265 8.0265 8.0361 8.0361 8.3777 8.3777 k = 0.5000 0.2748-0.0000 ( 7940 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2385 -18.2385 -18.2272 -18.2272 -17.8793 -17.8793 -17.8637 -17.8637 -17.8417 -17.8417 -17.8390 -17.8390 -10.6954 -10.6954 -10.6954 -10.6954 -10.6293 -10.6293 -10.6252 -10.6252 -0.0376 -0.0376 -0.0137 -0.0137 0.1506 0.1506 0.2670 0.2670 0.6778 0.6778 0.8113 0.8113 0.8304 0.8304 1.0128 1.0128 1.4242 1.4242 1.5199 1.5199 1.8178 1.8178 1.9425 1.9425 7.2676 7.2676 7.2694 7.2694 8.0326 8.0326 8.0418 8.0418 8.3832 8.3832 k = 0.5000 0.2885-0.0000 ( 7952 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2386 -18.2386 -18.2271 -18.2271 -17.8794 -17.8794 -17.8636 -17.8636 -17.8416 -17.8416 -17.8390 -17.8390 -10.6953 -10.6953 -10.6953 -10.6953 -10.6295 -10.6295 -10.6253 -10.6253 -0.0401 -0.0401 -0.0180 -0.0180 0.1475 0.1475 0.2668 0.2668 0.6931 0.6931 0.7942 0.7942 0.8375 0.8375 1.0063 1.0063 1.4257 1.4257 1.5202 1.5202 1.8253 1.8253 1.9528 1.9528 7.2551 7.2551 7.2575 7.2575 8.0374 8.0374 8.0463 8.0463 8.3874 8.3874 k = 0.5000 0.3023-0.0000 ( 7940 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2387 -18.2387 -18.2270 -18.2270 -17.8795 -17.8795 -17.8636 -17.8636 -17.8416 -17.8416 -17.8389 -17.8389 -10.6952 -10.6952 -10.6952 -10.6952 -10.6296 -10.6296 -10.6253 -10.6253 -0.0420 -0.0420 -0.0210 -0.0210 0.1453 0.1453 0.2666 0.2666 0.7090 0.7090 0.7769 0.7769 0.8431 0.8431 1.0011 1.0011 1.4268 1.4268 1.5204 1.5204 1.8308 1.8308 1.9602 1.9602 7.2461 7.2461 7.2489 7.2489 8.0409 8.0409 8.0496 8.0496 8.3904 8.3904 k = 0.5000 0.3160-0.0000 ( 7950 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2387 -18.2387 -18.2270 -18.2270 -17.8796 -17.8796 -17.8636 -17.8636 -17.8416 -17.8416 -17.8389 -17.8389 -10.6952 -10.6952 -10.6952 -10.6952 -10.6296 -10.6296 -10.6254 -10.6254 -0.0431 -0.0431 -0.0229 -0.0229 0.1439 0.1439 0.2665 0.2665 0.7254 0.7254 0.7598 0.7598 0.8467 0.8467 0.9977 0.9977 1.4274 1.4274 1.5206 1.5206 1.8341 1.8341 1.9647 1.9647 7.2406 7.2406 7.2437 7.2437 8.0430 8.0430 8.0516 8.0516 8.3921 8.3921 k = 0.5000 0.3297-0.0000 ( 7944 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2388 -18.2388 -18.2270 -18.2270 -17.8796 -17.8796 -17.8635 -17.8635 -17.8416 -17.8416 -17.8389 -17.8389 -10.6952 -10.6952 -10.6952 -10.6952 -10.6296 -10.6296 -10.6254 -10.6254 -0.0434 -0.0434 -0.0235 -0.0235 0.1435 0.1435 0.2665 0.2665 0.7400 0.7400 0.7449 0.7449 0.8480 0.8480 0.9965 0.9965 1.4276 1.4276 1.5206 1.5206 1.8353 1.8353 1.9662 1.9662 7.2387 7.2387 7.2420 7.2420 8.0437 8.0437 8.0522 8.0522 8.3927 8.3927 k = 0.5000 0.3297-0.0000 ( 7944 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2388 -18.2388 -18.2270 -18.2270 -17.8796 -17.8796 -17.8635 -17.8635 -17.8416 -17.8416 -17.8389 -17.8389 -10.6952 -10.6952 -10.6952 -10.6952 -10.6296 -10.6296 -10.6254 -10.6254 -0.0434 -0.0434 -0.0235 -0.0235 0.1435 0.1435 0.2665 0.2665 0.7400 0.7400 0.7449 0.7449 0.8480 0.8480 0.9965 0.9965 1.4276 1.4276 1.5206 1.5206 1.8353 1.8353 1.9662 1.9662 7.2387 7.2387 7.2420 7.2420 8.0437 8.0437 8.0522 8.0522 8.3927 8.3933 k = 0.4865 0.3297-0.0000 ( 7942 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2387 -18.2387 -18.2270 -18.2270 -17.8796 -17.8796 -17.8635 -17.8635 -17.8416 -17.8416 -17.8389 -17.8389 -10.6954 -10.6954 -10.6954 -10.6954 -10.6297 -10.6297 -10.6254 -10.6254 -0.0422 -0.0422 -0.0221 -0.0221 0.1427 0.1427 0.2660 0.2660 0.7378 0.7378 0.7459 0.7459 0.8504 0.8504 0.9953 0.9953 1.4283 1.4283 1.5215 1.5215 1.8355 1.8355 1.9662 1.9662 7.2399 7.2399 7.2432 7.2432 8.0438 8.0438 8.0523 8.0523 8.3906 8.3906 k = 0.4730 0.3297-0.0000 ( 7938 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2386 -18.2386 -18.2269 -18.2269 -17.8794 -17.8794 -17.8634 -17.8634 -17.8416 -17.8416 -17.8390 -17.8390 -10.6960 -10.6960 -10.6960 -10.6960 -10.6297 -10.6297 -10.6255 -10.6255 -0.0386 -0.0386 -0.0178 -0.0178 0.1403 0.1403 0.2645 0.2645 0.7317 0.7317 0.7488 0.7488 0.8570 0.8570 0.9919 0.9919 1.4302 1.4302 1.5241 1.5241 1.8362 1.8362 1.9663 1.9663 7.2435 7.2435 7.2468 7.2468 8.0439 8.0439 8.0525 8.0525 8.3841 8.3841 k = 0.4595 0.3297-0.0000 ( 7930 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2385 -18.2385 -18.2268 -18.2268 -17.8790 -17.8790 -17.8631 -17.8631 -17.8417 -17.8417 -17.8391 -17.8391 -10.6970 -10.6970 -10.6970 -10.6970 -10.6298 -10.6298 -10.6256 -10.6256 -0.0326 -0.0326 -0.0108 -0.0108 0.1363 0.1363 0.2621 0.2621 0.7230 0.7230 0.7535 0.7535 0.8667 0.8667 0.9863 0.9863 1.4334 1.4334 1.5282 1.5282 1.8376 1.8376 1.9664 1.9664 7.2494 7.2494 7.2527 7.2527 8.0441 8.0441 8.0528 8.0528 8.3734 8.3734 k = 0.4459 0.3297-0.0000 ( 7920 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2382 -18.2382 -18.2267 -18.2267 -17.8786 -17.8786 -17.8628 -17.8628 -17.8418 -17.8418 -17.8392 -17.8392 -10.6985 -10.6985 -10.6984 -10.6984 -10.6299 -10.6299 -10.6257 -10.6257 -0.0245 -0.0245 -0.0010 -0.0010 0.1310 0.1310 0.2588 0.2588 0.7128 0.7128 0.7600 0.7600 0.8785 0.8785 0.9790 0.9790 1.4376 1.4376 1.5334 1.5334 1.8396 1.8396 1.9666 1.9666 7.2576 7.2576 7.2610 7.2610 8.0444 8.0444 8.0532 8.0532 8.3586 8.3586 k = 0.4324 0.3297-0.0000 ( 7912 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2380 -18.2380 -18.2265 -18.2265 -17.8780 -17.8780 -17.8624 -17.8624 -17.8420 -17.8420 -17.8394 -17.8394 -10.7003 -10.7003 -10.7002 -10.7002 -10.6299 -10.6299 -10.6259 -10.6259 -0.0143 -0.0143 0.0114 0.0114 0.1244 0.1244 0.2549 0.2549 0.7019 0.7019 0.7681 0.7681 0.8916 0.8916 0.9703 0.9703 1.4426 1.4426 1.5392 1.5392 1.8425 1.8425 1.9670 1.9670 7.2681 7.2681 7.2716 7.2716 8.0448 8.0448 8.0537 8.0537 8.3401 8.3401 k = 0.4189 0.3297-0.0000 ( 7916 PWs) bands (ev): -36.9476 -36.9476 -36.9475 -36.9475 -18.2376 -18.2376 -18.2263 -18.2263 -17.8774 -17.8774 -17.8619 -17.8619 -17.8422 -17.8422 -17.8396 -17.8396 -10.7026 -10.7026 -10.7025 -10.7025 -10.6300 -10.6300 -10.6260 -10.6260 -0.0025 -0.0025 0.0261 0.0261 0.1169 0.1169 0.2504 0.2504 0.6911 0.6911 0.7775 0.7775 0.9056 0.9056 0.9607 0.9607 1.4482 1.4482 1.5450 1.5450 1.8465 1.8465 1.9677 1.9677 7.2807 7.2807 7.2843 7.2843 8.0451 8.0451 8.0543 8.0543 8.3181 8.3181 k = 0.4054 0.3297-0.0000 ( 7920 PWs) bands (ev): -36.9476 -36.9476 -36.9476 -36.9476 -18.2373 -18.2373 -18.2261 -18.2261 -17.8766 -17.8766 -17.8613 -17.8613 -17.8424 -17.8424 -17.8399 -17.8399 -10.7054 -10.7054 -10.7052 -10.7052 -10.6299 -10.6299 -10.6261 -10.6261 0.0105 0.0105 0.0423 0.0423 0.1093 0.1093 0.2459 0.2459 0.6807 0.6807 0.7881 0.7881 0.9202 0.9202 0.9505 0.9505 1.4542 1.4542 1.5505 1.5505 1.8517 1.8517 1.9686 1.9686 7.2953 7.2953 7.2991 7.2991 8.0454 8.0454 8.0549 8.0549 8.2931 8.2931 k = 0.3919 0.3297-0.0000 ( 7920 PWs) bands (ev): -36.9476 -36.9476 -36.9476 -36.9476 -18.2369 -18.2369 -18.2258 -18.2258 -17.8757 -17.8757 -17.8607 -17.8607 -17.8426 -17.8426 -17.8402 -17.8402 -10.7086 -10.7086 -10.7083 -10.7083 -10.6298 -10.6298 -10.6261 -10.6261 0.0240 0.0240 0.0578 0.0578 0.1038 0.1038 0.2420 0.2420 0.6713 0.6713 0.7997 0.7997 0.9351 0.9351 0.9403 0.9403 1.4604 1.4604 1.5550 1.5550 1.8582 1.8582 1.9699 1.9699 7.3119 7.3119 7.3159 7.3159 8.0454 8.0454 8.0553 8.0553 8.2656 8.2656 k = 0.3784 0.3297-0.0000 ( 7916 PWs) bands (ev): -36.9477 -36.9477 -36.9477 -36.9477 -18.2364 -18.2364 -18.2256 -18.2256 -17.8747 -17.8747 -17.8600 -17.8600 -17.8429 -17.8429 -17.8405 -17.8405 -10.7122 -10.7122 -10.7119 -10.7119 -10.6297 -10.6297 -10.6260 -10.6260 0.0370 0.0370 0.0651 0.0651 0.1080 0.1080 0.2394 0.2394 0.6631 0.6631 0.8119 0.8119 0.9305 0.9305 0.9503 0.9503 1.4664 1.4664 1.5582 1.5582 1.8663 1.8663 1.9717 1.9717 7.3304 7.3304 7.3345 7.3345 8.0447 8.0447 8.0553 8.0553 8.2364 8.2364 k = 0.3649 0.3297-0.0000 ( 7912 PWs) bands (ev): -36.9477 -36.9477 -36.9477 -36.9477 -18.2359 -18.2359 -18.2253 -18.2253 -17.8736 -17.8736 -17.8592 -17.8592 -17.8432 -17.8432 -17.8408 -17.8408 -10.7162 -10.7162 -10.7158 -10.7158 -10.6294 -10.6294 -10.6259 -10.6259 0.0481 0.0481 0.0600 0.0600 0.1260 0.1260 0.2395 0.2395 0.6563 0.6563 0.8244 0.8244 0.9215 0.9215 0.9656 0.9656 1.4722 1.4722 1.5600 1.5600 1.8758 1.8758 1.9739 1.9739 7.3506 7.3506 7.3549 7.3549 8.0429 8.0429 8.0543 8.0543 8.2065 8.2065 k = 0.3514 0.3297-0.0000 ( 7916 PWs) bands (ev): -36.9478 -36.9478 -36.9478 -36.9478 -18.2353 -18.2353 -18.2250 -18.2250 -17.8725 -17.8725 -17.8584 -17.8584 -17.8434 -17.8434 -17.8412 -17.8412 -10.7206 -10.7206 -10.7202 -10.7202 -10.6290 -10.6290 -10.6256 -10.6256 0.0493 0.0493 0.0559 0.0559 0.1509 0.1509 0.2436 0.2436 0.6512 0.6512 0.8366 0.8366 0.9142 0.9142 0.9808 0.9808 1.4775 1.4775 1.5602 1.5602 1.8866 1.8866 1.9767 1.9767 7.3723 7.3723 7.3768 7.3768 8.0387 8.0387 8.0509 8.0509 8.1774 8.1774 k = 0.3378 0.3297-0.0000 ( 7910 PWs) bands (ev): -36.9478 -36.9478 -36.9478 -36.9478 -18.2347 -18.2347 -18.2246 -18.2246 -17.8712 -17.8712 -17.8575 -17.8575 -17.8437 -17.8437 -17.8416 -17.8416 -10.7253 -10.7253 -10.7249 -10.7249 -10.6285 -10.6285 -10.6253 -10.6253 0.0364 0.0364 0.0591 0.0591 0.1793 0.1793 0.2531 0.2531 0.6479 0.6479 0.8477 0.8477 0.9093 0.9093 0.9959 0.9959 1.4822 1.4822 1.5588 1.5588 1.8986 1.8986 1.9800 1.9800 7.3954 7.3954 7.4001 7.4001 8.0303 8.0303 8.0430 8.0430 8.1517 8.1517 k = 0.3243 0.3297-0.0000 ( 7902 PWs) bands (ev): -36.9479 -36.9479 -36.9479 -36.9479 -18.2341 -18.2341 -18.2243 -18.2243 -17.8699 -17.8699 -17.8566 -17.8566 -17.8440 -17.8440 -17.8420 -17.8420 -10.7304 -10.7304 -10.7299 -10.7299 -10.6280 -10.6280 -10.6249 -10.6249 0.0224 0.0224 0.0571 0.0571 0.2100 0.2100 0.2682 0.2682 0.6466 0.6466 0.8563 0.8563 0.9084 0.9084 1.0108 1.0108 1.4863 1.4863 1.5560 1.5560 1.9116 1.9116 1.9839 1.9839 7.4197 7.4197 7.4246 7.4246 8.0152 8.0152 8.0274 8.0274 8.1326 8.1326 k = 0.3108 0.3297-0.0000 ( 7906 PWs) bands (ev): -36.9479 -36.9479 -36.9479 -36.9479 -18.2335 -18.2335 -18.2240 -18.2240 -17.8685 -17.8685 -17.8557 -17.8557 -17.8442 -17.8442 -17.8424 -17.8424 -10.7357 -10.7357 -10.7352 -10.7352 -10.6273 -10.6273 -10.6243 -10.6243 0.0078 0.0078 0.0505 0.0505 0.2424 0.2424 0.2884 0.2884 0.6473 0.6473 0.8611 0.8611 0.9126 0.9126 1.0253 1.0253 1.4896 1.4896 1.5517 1.5517 1.9254 1.9254 1.9883 1.9883 7.4451 7.4451 7.4502 7.4502 7.9922 7.9922 8.0025 8.0025 8.1216 8.1216 k = 0.2973 0.3297-0.0000 ( 7918 PWs) bands (ev): -36.9480 -36.9480 -36.9480 -36.9480 -18.2329 -18.2329 -18.2236 -18.2236 -17.8671 -17.8671 -17.8548 -17.8548 -17.8444 -17.8444 -17.8428 -17.8428 -10.7413 -10.7413 -10.7408 -10.7408 -10.6266 -10.6266 -10.6237 -10.6237 -0.0074 -0.0074 0.0401 0.0401 0.2763 0.2763 0.3126 0.3126 0.6502 0.6502 0.8628 0.8628 0.9216 0.9216 1.0394 1.0394 1.4923 1.4923 1.5463 1.5463 1.9395 1.9395 1.9931 1.9931 7.4714 7.4714 7.4766 7.4766 7.9625 7.9625 7.9705 7.9705 8.1166 8.1166 k = 0.2838 0.3297-0.0000 ( 7914 PWs) bands (ev): -36.9481 -36.9481 -36.9480 -36.9480 -18.2322 -18.2322 -18.2233 -18.2233 -17.8656 -17.8656 -17.8540 -17.8540 -17.8446 -17.8446 -17.8432 -17.8432 -10.7471 -10.7471 -10.7465 -10.7465 -10.6257 -10.6257 -10.6230 -10.6230 -0.0229 -0.0229 0.0270 0.0270 0.3113 0.3113 0.3397 0.3397 0.6553 0.6553 0.8631 0.8631 0.9334 0.9334 1.0528 1.0528 1.4943 1.4943 1.5400 1.5400 1.9539 1.9539 1.9983 1.9983 7.4984 7.4984 7.5036 7.5036 7.9278 7.9278 7.9338 7.9338 8.1146 8.1151 k = 0.2703 0.3297-0.0000 ( 7906 PWs) bands (ev): -36.9481 -36.9481 -36.9481 -36.9481 -18.2315 -18.2315 -18.2230 -18.2230 -17.8641 -17.8641 -17.8533 -17.8533 -17.8446 -17.8446 -17.8436 -17.8436 -10.7531 -10.7531 -10.7524 -10.7524 -10.6249 -10.6249 -10.6223 -10.6223 -0.0386 -0.0386 0.0120 0.0120 0.3470 0.3470 0.3687 0.3687 0.6626 0.6626 0.8634 0.8634 0.9467 0.9467 1.0657 1.0657 1.4957 1.4957 1.5329 1.5329 1.9682 1.9682 2.0038 2.0038 7.5259 7.5259 7.5312 7.5312 7.8898 7.8898 7.8941 7.8941 8.1127 8.1127 k = 0.2568 0.3297-0.0000 ( 7904 PWs) bands (ev): -36.9482 -36.9482 -36.9482 -36.9482 -18.2309 -18.2309 -18.2226 -18.2226 -17.8626 -17.8626 -17.8526 -17.8526 -17.8445 -17.8445 -17.8439 -17.8439 -10.7591 -10.7591 -10.7585 -10.7585 -10.6239 -10.6239 -10.6215 -10.6215 -0.0544 -0.0544 -0.0043 -0.0043 0.3831 0.3831 0.3986 0.3986 0.6722 0.6722 0.8644 0.8644 0.9607 0.9607 1.0778 1.0778 1.4967 1.4967 1.5252 1.5252 1.9822 1.9822 2.0094 2.0094 7.5537 7.5537 7.5590 7.5590 7.8496 7.8496 7.8525 7.8525 8.1100 8.1100 k = 0.2432 0.3297-0.0000 ( 7910 PWs) bands (ev): -36.9482 -36.9482 -36.9482 -36.9482 -18.2302 -18.2302 -18.2224 -18.2224 -17.8611 -17.8611 -17.8522 -17.8522 -17.8443 -17.8443 -17.8442 -17.8442 -10.7652 -10.7652 -10.7645 -10.7645 -10.6229 -10.6229 -10.6206 -10.6206 -0.0701 -0.0701 -0.0214 -0.0214 0.4192 0.4192 0.4289 0.4289 0.6841 0.6841 0.8665 0.8665 0.9751 0.9751 1.0891 1.0891 1.4974 1.4974 1.5172 1.5172 1.9958 1.9958 2.0151 2.0151 7.5815 7.5815 7.5868 7.5868 7.8075 7.8075 7.8095 7.8095 8.1061 8.1065 k = 0.2297 0.3297-0.0000 ( 7914 PWs) bands (ev): -36.9483 -36.9483 -36.9483 -36.9483 -18.2296 -18.2296 -18.2221 -18.2221 -17.8597 -17.8597 -17.8519 -17.8519 -17.8445 -17.8445 -17.8437 -17.8437 -10.7713 -10.7713 -10.7706 -10.7706 -10.6219 -10.6219 -10.6198 -10.6198 -0.0856 -0.0856 -0.0389 -0.0389 0.4551 0.4551 0.4589 0.4589 0.6983 0.6983 0.8696 0.8696 0.9897 0.9897 1.0995 1.0995 1.4979 1.4979 1.5090 1.5090 2.0088 2.0088 2.0207 2.0207 7.6092 7.6092 7.6143 7.6143 7.7643 7.7643 7.7655 7.7655 8.1006 8.1007 k = 0.2162 0.3297-0.0000 ( 7914 PWs) bands (ev): -36.9484 -36.9484 -36.9484 -36.9484 -18.2289 -18.2289 -18.2218 -18.2218 -17.8583 -17.8583 -17.8518 -17.8518 -17.8447 -17.8447 -17.8431 -17.8431 -10.7773 -10.7773 -10.7767 -10.7767 -10.6209 -10.6209 -10.6189 -10.6189 -0.1009 -0.1009 -0.0565 -0.0565 0.4879 0.4879 0.4902 0.4902 0.7148 0.7148 0.8739 0.8739 1.0046 1.0046 1.1089 1.1089 1.4984 1.4984 1.5008 1.5008 2.0210 2.0210 2.0261 2.0261 7.6359 7.6359 7.6405 7.6405 7.7207 7.7207 7.7215 7.7215 8.0935 8.0935 k = 0.2027 0.3297-0.0000 ( 7930 PWs) bands (ev): -36.9484 -36.9484 -36.9484 -36.9484 -18.2283 -18.2283 -18.2216 -18.2216 -17.8571 -17.8571 -17.8518 -17.8518 -17.8448 -17.8448 -17.8424 -17.8424 -10.7832 -10.7832 -10.7826 -10.7826 -10.6199 -10.6199 -10.6180 -10.6180 -0.1157 -0.1157 -0.0740 -0.0740 0.5157 0.5157 0.5242 0.5242 0.7334 0.7334 0.8791 0.8791 1.0196 1.0196 1.1174 1.1174 1.4929 1.4929 1.4990 1.4990 2.0314 2.0314 2.0323 2.0323 7.6545 7.6545 7.6565 7.6565 7.6840 7.6840 7.6867 7.6867 8.0854 8.0854 k = 0.1892 0.3297-0.0000 ( 7928 PWs) bands (ev): -36.9485 -36.9485 -36.9485 -36.9485 -18.2276 -18.2276 -18.2214 -18.2214 -17.8560 -17.8560 -17.8519 -17.8519 -17.8447 -17.8447 -17.8416 -17.8416 -10.7890 -10.7890 -10.7884 -10.7884 -10.6189 -10.6189 -10.6171 -10.6171 -0.1301 -0.1301 -0.0912 -0.0912 0.5420 0.5420 0.5568 0.5568 0.7537 0.7537 0.8851 0.8851 1.0348 1.0348 1.1249 1.1249 1.4854 1.4854 1.4998 1.4998 2.0363 2.0363 2.0427 2.0427 7.6232 7.6232 7.6237 7.6237 7.6958 7.6958 7.7004 7.7004 8.0768 8.0768 k = 0.1757 0.3297-0.0000 ( 7916 PWs) bands (ev): -36.9486 -36.9486 -36.9485 -36.9485 -18.2270 -18.2270 -18.2211 -18.2211 -17.8551 -17.8551 -17.8520 -17.8520 -17.8444 -17.8444 -17.8408 -17.8408 -10.7946 -10.7946 -10.7941 -10.7941 -10.6179 -10.6179 -10.6162 -10.6162 -0.1439 -0.1439 -0.1079 -0.1079 0.5667 0.5667 0.5877 0.5877 0.7754 0.7754 0.8917 0.8917 1.0502 1.0502 1.1314 1.1314 1.4785 1.4785 1.5010 1.5010 2.0408 2.0408 2.0519 2.0519 7.5786 7.5786 7.5792 7.5792 7.7207 7.7207 7.7248 7.7248 8.0681 8.0681 k = 0.1622 0.3297-0.0000 ( 7916 PWs) bands (ev): -36.9486 -36.9486 -36.9486 -36.9486 -18.2264 -18.2264 -18.2210 -18.2210 -17.8544 -17.8544 -17.8522 -17.8522 -17.8440 -17.8440 -17.8399 -17.8399 -10.8000 -10.8000 -10.7995 -10.7995 -10.6169 -10.6169 -10.6154 -10.6154 -0.1569 -0.1569 -0.1239 -0.1239 0.5897 0.5897 0.6164 0.6164 0.7979 0.7979 0.8987 0.8987 1.0656 1.0656 1.1369 1.1369 1.4725 1.4725 1.5025 1.5025 2.0450 2.0450 2.0601 2.0601 7.5335 7.5335 7.5342 7.5342 7.7458 7.7458 7.7493 7.7493 8.0598 8.0598 k = 0.1486 0.3297-0.0000 ( 7926 PWs) bands (ev): -36.9487 -36.9487 -36.9487 -36.9487 -18.2259 -18.2259 -18.2209 -18.2209 -17.8539 -17.8539 -17.8525 -17.8525 -17.8434 -17.8434 -17.8391 -17.8391 -10.8051 -10.8051 -10.8046 -10.8046 -10.6160 -10.6160 -10.6146 -10.6146 -0.1692 -0.1692 -0.1391 -0.1391 0.6112 0.6112 0.6429 0.6429 0.8205 0.8205 0.9057 0.9057 1.0809 1.0809 1.1414 1.1414 1.4676 1.4676 1.5044 1.5044 2.0487 2.0487 2.0671 2.0671 7.4891 7.4891 7.4898 7.4898 7.7703 7.7703 7.7731 7.7731 8.0519 8.0519 k = 0.1351 0.3297-0.0000 ( 7926 PWs) bands (ev): -36.9487 -36.9487 -36.9487 -36.9487 -18.2253 -18.2253 -18.2207 -18.2207 -17.8537 -17.8537 -17.8527 -17.8527 -17.8426 -17.8426 -17.8383 -17.8383 -10.8099 -10.8099 -10.8094 -10.8094 -10.6151 -10.6151 -10.6138 -10.6138 -0.1806 -0.1806 -0.1534 -0.1534 0.6313 0.6313 0.6670 0.6670 0.8427 0.8427 0.9126 0.9126 1.0957 1.0957 1.1451 1.1451 1.4640 1.4640 1.5067 1.5067 2.0521 2.0521 2.0729 2.0729 7.4462 7.4462 7.4468 7.4468 7.7939 7.7939 7.7960 7.7960 8.0445 8.0445 k = 0.1216 0.3297-0.0000 ( 7922 PWs) bands (ev): -36.9488 -36.9488 -36.9487 -36.9487 -18.2248 -18.2248 -18.2207 -18.2207 -17.8535 -17.8535 -17.8529 -17.8529 -17.8418 -17.8418 -17.8376 -17.8376 -10.8144 -10.8144 -10.8139 -10.8139 -10.6142 -10.6142 -10.6131 -10.6131 -0.1910 -0.1910 -0.1668 -0.1668 0.6501 0.6501 0.6885 0.6885 0.8638 0.8638 0.9193 0.9193 1.1097 1.1097 1.1479 1.1479 1.4622 1.4622 1.5093 1.5093 2.0551 2.0551 2.0775 2.0775 7.4052 7.4052 7.4057 7.4057 7.8166 7.8166 7.8179 7.8179 8.0375 8.0375 k = 0.1081 0.3297-0.0000 ( 7908 PWs) bands (ev): -36.9488 -36.9488 -36.9488 -36.9488 -18.2243 -18.2243 -18.2206 -18.2206 -17.8535 -17.8535 -17.8531 -17.8531 -17.8408 -17.8408 -17.8369 -17.8369 -10.8184 -10.8184 -10.8180 -10.8180 -10.6135 -10.6135 -10.6124 -10.6124 -0.2004 -0.2004 -0.1790 -0.1790 0.6677 0.6677 0.7073 0.7073 0.8835 0.8835 0.9257 0.9257 1.1225 1.1225 1.1501 1.1501 1.4621 1.4621 1.5120 1.5120 2.0578 2.0578 2.0810 2.0810 7.3667 7.3667 7.3671 7.3671 7.8382 7.8382 7.8387 7.8387 8.0308 8.0308 k = 0.0946 0.3297-0.0000 ( 7924 PWs) bands (ev): -36.9488 -36.9488 -36.9488 -36.9488 -18.2238 -18.2238 -18.2206 -18.2206 -17.8535 -17.8535 -17.8533 -17.8533 -17.8399 -17.8399 -17.8364 -17.8364 -10.8221 -10.8221 -10.8217 -10.8217 -10.6127 -10.6127 -10.6119 -10.6119 -0.2088 -0.2088 -0.1902 -0.1902 0.6841 0.6841 0.7234 0.7234 0.9012 0.9012 0.9316 0.9316 1.1335 1.1335 1.1517 1.1517 1.4640 1.4640 1.5146 1.5146 2.0603 2.0603 2.0833 2.0833 7.3312 7.3312 7.3316 7.3316 7.8583 7.8583 7.8587 7.8587 8.0241 8.0241 k = 0.0811 0.3297-0.0000 ( 7930 PWs) bands (ev): -36.9489 -36.9489 -36.9489 -36.9489 -18.2234 -18.2234 -18.2206 -18.2206 -17.8536 -17.8536 -17.8535 -17.8535 -17.8390 -17.8390 -17.8359 -17.8359 -10.8253 -10.8253 -10.8250 -10.8250 -10.6121 -10.6121 -10.6113 -10.6113 -0.2159 -0.2159 -0.2001 -0.2001 0.6992 0.6992 0.7367 0.7367 0.9166 0.9166 0.9371 0.9371 1.1426 1.1426 1.1529 1.1529 1.4677 1.4677 1.5168 1.5168 2.0626 2.0626 2.0846 2.0846 7.2993 7.2993 7.2995 7.2995 7.8768 7.8768 7.8780 7.8780 8.0175 8.0175 k = 0.0676 0.3297-0.0000 ( 7946 PWs) bands (ev): -36.9489 -36.9489 -36.9489 -36.9489 -18.2230 -18.2230 -18.2207 -18.2207 -17.8537 -17.8537 -17.8537 -17.8537 -17.8382 -17.8382 -17.8356 -17.8356 -10.8281 -10.8281 -10.8278 -10.8278 -10.6116 -10.6116 -10.6109 -10.6109 -0.2219 -0.2219 -0.2088 -0.2088 0.7130 0.7130 0.7471 0.7471 0.9296 0.9296 0.9422 0.9422 1.1495 1.1495 1.1539 1.1539 1.4731 1.4731 1.5184 1.5184 2.0649 2.0649 2.0849 2.0849 7.2714 7.2714 7.2715 7.2715 7.8940 7.8940 7.8961 7.8961 8.0105 8.0105 k = 0.0541 0.3297-0.0000 ( 7944 PWs) bands (ev): -36.9489 -36.9489 -36.9489 -36.9489 -18.2226 -18.2226 -18.2208 -18.2208 -17.8538 -17.8538 -17.8538 -17.8538 -17.8375 -17.8375 -17.8353 -17.8353 -10.8304 -10.8304 -10.8302 -10.8302 -10.6111 -10.6111 -10.6106 -10.6106 -0.2266 -0.2266 -0.2161 -0.2161 0.7255 0.7255 0.7548 0.7548 0.9400 0.9400 0.9469 0.9469 1.1543 1.1543 1.1548 1.1548 1.4797 1.4797 1.5190 1.5190 2.0672 2.0672 2.0844 2.0844 7.2479 7.2479 7.2480 7.2480 7.9100 7.9100 7.9130 7.9130 8.0032 8.0032 k = 0.0405 0.3297-0.0000 ( 7948 PWs) bands (ev): -36.9489 -36.9489 -36.9489 -36.9489 -18.2223 -18.2223 -18.2209 -18.2209 -17.8539 -17.8539 -17.8539 -17.8539 -17.8368 -17.8368 -17.8352 -17.8352 -10.8322 -10.8322 -10.8320 -10.8320 -10.6107 -10.6107 -10.6103 -10.6103 -0.2300 -0.2300 -0.2222 -0.2222 0.7364 0.7364 0.7596 0.7596 0.9478 0.9478 0.9509 0.9509 1.1557 1.1557 1.1572 1.1572 1.4871 1.4871 1.5184 1.5184 2.0695 2.0695 2.0832 2.0832 7.2293 7.2293 7.2293 7.2293 7.9248 7.9248 7.9284 7.9284 7.9956 7.9956 k = 0.0270 0.3297-0.0000 ( 7948 PWs) bands (ev): -36.9490 -36.9490 -36.9489 -36.9489 -18.2220 -18.2220 -18.2211 -18.2211 -17.8540 -17.8540 -17.8539 -17.8539 -17.8362 -17.8362 -17.8352 -17.8352 -10.8334 -10.8334 -10.8333 -10.8333 -10.6104 -10.6104 -10.6101 -10.6101 -0.2321 -0.2321 -0.2269 -0.2269 0.7456 0.7456 0.7617 0.7617 0.9531 0.9531 0.9541 0.9541 1.1566 1.1566 1.1586 1.1586 1.4945 1.4945 1.5163 1.5163 2.0720 2.0720 2.0815 2.0815 7.2157 7.2157 7.2158 7.2158 7.9381 7.9381 7.9423 7.9423 7.9876 7.9876 k = 0.0135 0.3297-0.0000 ( 7940 PWs) bands (ev): -36.9490 -36.9490 -36.9490 -36.9490 -18.2217 -18.2217 -18.2212 -18.2212 -17.8540 -17.8540 -17.8540 -17.8540 -17.8358 -17.8358 -17.8352 -17.8352 -10.8342 -10.8342 -10.8341 -10.8341 -10.6102 -10.6102 -10.6101 -10.6101 -0.2328 -0.2328 -0.2303 -0.2303 0.7529 0.7529 0.7611 0.7611 0.9561 0.9561 0.9563 0.9563 1.1576 1.1576 1.1589 1.1589 1.5016 1.5016 1.5128 1.5128 2.0745 2.0745 2.0794 2.0794 7.2075 7.2075 7.2075 7.2075 7.9496 7.9496 7.9533 7.9533 7.9803 7.9803 k = 0.0000 0.3297-0.0000 ( 7936 PWs) bands (ev): -36.9490 -36.9490 -36.9490 -36.9490 -18.2214 -18.2214 -18.2214 -18.2214 -17.8540 -17.8540 -17.8540 -17.8540 -17.8354 -17.8354 -17.8354 -17.8354 -10.8344 -10.8344 -10.8344 -10.8344 -10.6101 -10.6101 -10.6101 -10.6101 -0.2322 -0.2322 -0.2322 -0.2322 0.7582 0.7582 0.7582 0.7582 0.9571 0.9571 0.9571 0.9571 1.1585 1.1585 1.1585 1.1585 1.5078 1.5078 1.5078 1.5078 2.0770 2.0770 2.0770 2.0770 7.2048 7.2048 7.2048 7.2048 7.9568 7.9568 7.9568 7.9568 7.9785 7.9785 k = 0.0000 0.3297-0.0000 ( 7936 PWs) bands (ev): -36.9490 -36.9490 -36.9490 -36.9490 -18.2214 -18.2214 -18.2214 -18.2214 -17.8540 -17.8540 -17.8540 -17.8540 -17.8354 -17.8354 -17.8354 -17.8354 -10.8344 -10.8344 -10.8344 -10.8344 -10.6101 -10.6101 -10.6101 -10.6101 -0.2322 -0.2322 -0.2322 -0.2322 0.7582 0.7582 0.7582 0.7582 0.9571 0.9571 0.9571 0.9571 1.1585 1.1585 1.1585 1.1585 1.5078 1.5078 1.5078 1.5078 2.0770 2.0770 2.0770 2.0770 7.2048 7.2048 7.2048 7.2048 7.9568 7.9568 7.9568 7.9568 7.9785 7.9785 k = 0.0000 0.3160-0.0000 ( 7936 PWs) bands (ev): -36.9490 -36.9490 -36.9489 -36.9489 -18.2220 -18.2220 -18.2208 -18.2208 -17.8549 -17.8549 -17.8531 -17.8531 -17.8358 -17.8358 -17.8351 -17.8351 -10.8476 -10.8476 -10.8213 -10.8213 -10.6110 -10.6110 -10.6091 -10.6091 -0.2613 -0.2613 -0.2032 -0.2032 0.7193 0.7193 0.7947 0.7947 0.9510 0.9510 0.9652 0.9652 1.1395 1.1395 1.1781 1.1781 1.4868 1.4868 1.5291 1.5291 2.0681 2.0681 2.0872 2.0872 7.1898 7.1898 7.2175 7.2175 7.9441 7.9441 7.9538 7.9538 7.9663 7.9663 k = 0.0000 0.3023-0.0000 ( 7946 PWs) bands (ev): -36.9490 -36.9490 -36.9489 -36.9489 -18.2226 -18.2226 -18.2202 -18.2202 -17.8559 -17.8559 -17.8521 -17.8521 -17.8362 -17.8362 -17.8347 -17.8347 -10.8606 -10.8606 -10.8082 -10.8082 -10.6119 -10.6119 -10.6082 -10.6082 -0.2905 -0.2905 -0.1743 -0.1743 0.6798 0.6798 0.8266 0.8266 0.9463 0.9463 0.9762 0.9762 1.1214 1.1214 1.1983 1.1983 1.4659 1.4659 1.5508 1.5508 2.0609 2.0609 2.0985 2.0985 7.1725 7.1725 7.2277 7.2277 7.9250 7.9250 7.9329 7.9329 7.9726 7.9726 k = 0.0000 0.2885-0.0000 ( 7946 PWs) bands (ev): -36.9490 -36.9490 -36.9489 -36.9489 -18.2232 -18.2232 -18.2196 -18.2196 -17.8568 -17.8568 -17.8512 -17.8512 -17.8365 -17.8365 -17.8344 -17.8344 -10.8735 -10.8735 -10.7952 -10.7952 -10.6126 -10.6126 -10.6072 -10.6072 -0.3197 -0.3197 -0.1454 -0.1454 0.6407 0.6407 0.8514 0.8514 0.9426 0.9426 0.9906 0.9906 1.1050 1.1050 1.2194 1.2194 1.4451 1.4451 1.5731 1.5731 2.0555 2.0555 2.1105 2.1105 7.1532 7.1532 7.2354 7.2354 7.9000 7.9000 7.9158 7.9158 7.9757 7.9757 k = 0.0000 0.2748-0.0000 ( 7946 PWs) bands (ev): -36.9490 -36.9490 -36.9489 -36.9489 -18.2238 -18.2238 -18.2190 -18.2190 -17.8577 -17.8577 -17.8503 -17.8503 -17.8369 -17.8369 -17.8340 -17.8340 -10.8862 -10.8862 -10.7825 -10.7825 -10.6134 -10.6134 -10.6062 -10.6062 -0.3488 -0.3488 -0.1167 -0.1167 0.6029 0.6029 0.8677 0.8677 0.9397 0.9397 1.0073 1.0073 1.0916 1.0916 1.2417 1.2417 1.4244 1.4244 1.5964 1.5964 2.0522 2.0522 2.1230 2.1230 7.1321 7.1321 7.2406 7.2406 7.8738 7.8738 7.8980 7.8980 7.9754 7.9754 k = 0.0000 0.2610-0.0000 ( 7946 PWs) bands (ev): -36.9491 -36.9491 -36.9489 -36.9489 -18.2244 -18.2244 -18.2185 -18.2185 -17.8586 -17.8586 -17.8494 -17.8494 -17.8373 -17.8373 -17.8336 -17.8336 -10.8986 -10.8986 -10.7699 -10.7699 -10.6140 -10.6140 -10.6052 -10.6052 -0.3779 -0.3779 -0.0882 -0.0882 0.5670 0.5670 0.8759 0.8759 0.9371 0.9371 1.0218 1.0218 1.0841 1.0841 1.2658 1.2658 1.4039 1.4039 1.6210 1.6210 2.0510 2.0510 2.1356 2.1356 7.1093 7.1093 7.2434 7.2434 7.8467 7.8467 7.8793 7.8793 7.9720 7.9720 k = 0.0000 0.2473-0.0000 ( 7942 PWs) bands (ev): -36.9491 -36.9491 -36.9489 -36.9489 -18.2250 -18.2250 -18.2179 -18.2179 -17.8595 -17.8595 -17.8485 -17.8485 -17.8376 -17.8376 -17.8333 -17.8333 -10.9108 -10.9108 -10.7577 -10.7577 -10.6145 -10.6145 -10.6042 -10.6042 -0.4068 -0.4068 -0.0599 -0.0599 0.5333 0.5333 0.8774 0.8774 0.9345 0.9345 1.0284 1.0284 1.0860 1.0860 1.2922 1.2922 1.3834 1.3834 1.6474 1.6474 2.0520 2.0520 2.1481 2.1481 7.0853 7.0853 7.2437 7.2437 7.8186 7.8186 7.8601 7.8601 7.9654 7.9654 k = 0.0000 0.2336-0.0000 ( 7932 PWs) bands (ev): -36.9491 -36.9491 -36.9488 -36.9488 -18.2255 -18.2255 -18.2173 -18.2173 -17.8603 -17.8603 -17.8476 -17.8476 -17.8379 -17.8379 -17.8329 -17.8329 -10.9225 -10.9225 -10.7459 -10.7459 -10.6148 -10.6148 -10.6032 -10.6032 -0.4354 -0.4354 -0.0318 -0.0318 0.5021 0.5021 0.8734 0.8734 0.9317 0.9317 1.0278 1.0278 1.0946 1.0946 1.3207 1.3207 1.3631 1.3631 1.6759 1.6759 2.0552 2.0552 2.1603 2.1603 7.0602 7.0602 7.2417 7.2417 7.7889 7.7889 7.8406 7.8406 7.9562 7.9562 k = 0.0000 0.2198-0.0000 ( 7936 PWs) bands (ev): -36.9491 -36.9491 -36.9488 -36.9488 -18.2261 -18.2261 -18.2168 -18.2168 -17.8611 -17.8611 -17.8468 -17.8468 -17.8382 -17.8382 -17.8326 -17.8326 -10.9339 -10.9339 -10.7346 -10.7346 -10.6150 -10.6150 -10.6022 -10.6022 -0.4636 -0.4636 -0.0041 -0.0041 0.4737 0.4737 0.8648 0.8648 0.9290 0.9290 1.0253 1.0253 1.1038 1.1038 1.3431 1.3431 1.3509 1.3509 1.7068 1.7068 2.0603 2.0603 2.1720 2.1720 7.0343 7.0343 7.2376 7.2376 7.7568 7.7568 7.8212 7.8212 7.9447 7.9447 k = 0.0000 0.2061-0.0000 ( 7918 PWs) bands (ev): -36.9491 -36.9491 -36.9488 -36.9488 -18.2266 -18.2266 -18.2163 -18.2163 -17.8619 -17.8619 -17.8460 -17.8460 -17.8385 -17.8385 -17.8323 -17.8323 -10.9448 -10.9448 -10.7238 -10.7238 -10.6150 -10.6150 -10.6013 -10.6013 -0.4912 -0.4912 0.0232 0.0232 0.4483 0.4483 0.8521 0.8521 0.9266 0.9266 1.0234 1.0234 1.1105 1.1105 1.3233 1.3233 1.3816 1.3816 1.7403 1.7403 2.0673 2.0673 2.1831 2.1831 7.0081 7.0081 7.2313 7.2313 7.7212 7.7212 7.8020 7.8020 7.9313 7.9313 k = 0.0000 0.1923-0.0000 ( 7908 PWs) bands (ev): -36.9491 -36.9491 -36.9488 -36.9488 -18.2270 -18.2270 -18.2158 -18.2158 -17.8626 -17.8626 -17.8452 -17.8452 -17.8388 -17.8388 -17.8319 -17.8319 -10.9553 -10.9553 -10.7137 -10.7137 -10.6148 -10.6148 -10.6004 -10.6004 -0.5181 -0.5181 0.0499 0.0499 0.4260 0.4260 0.8361 0.8361 0.9247 0.9247 1.0227 1.0227 1.1143 1.1143 1.3039 1.3039 1.4119 1.4119 1.7762 1.7762 2.0759 2.0759 2.1934 2.1934 6.9817 6.9817 7.2232 7.2232 7.6808 7.6808 7.7833 7.7833 7.9166 7.9166 k = 0.0000 0.1786-0.0000 ( 7912 PWs) bands (ev): -36.9492 -36.9492 -36.9488 -36.9488 -18.2275 -18.2275 -18.2153 -18.2153 -17.8633 -17.8633 -17.8445 -17.8445 -17.8391 -17.8391 -17.8316 -17.8316 -10.9651 -10.9651 -10.7044 -10.7044 -10.6142 -10.6142 -10.5995 -10.5995 -0.5442 -0.5442 0.0758 0.0758 0.4069 0.4069 0.8176 0.8176 0.9234 0.9234 1.0230 1.0230 1.1154 1.1154 1.2849 1.2849 1.4408 1.4408 1.8143 1.8143 2.0859 2.0859 2.2028 2.2028 6.9555 6.9555 7.2130 7.2130 7.6347 7.6347 7.7652 7.7652 7.9006 7.9006 k = 0.0000 0.1649-0.0000 ( 7908 PWs) bands (ev): -36.9492 -36.9492 -36.9488 -36.9488 -18.2280 -18.2280 -18.2148 -18.2148 -17.8640 -17.8640 -17.8437 -17.8437 -17.8394 -17.8394 -17.8313 -17.8313 -10.9745 -10.9745 -10.6959 -10.6959 -10.6134 -10.6134 -10.5987 -10.5987 -0.5692 -0.5692 0.1005 0.1005 0.3912 0.3912 0.7973 0.7973 0.9226 0.9226 1.0239 1.0239 1.1145 1.1145 1.2663 1.2663 1.4677 1.4677 1.8537 1.8537 2.0972 2.0972 2.2113 2.2113 6.9298 6.9298 7.2008 7.2008 7.5829 7.5829 7.7480 7.7480 7.8829 7.8829 k = 0.0000 0.1511-0.0000 ( 7924 PWs) bands (ev): -36.9492 -36.9492 -36.9487 -36.9487 -18.2284 -18.2284 -18.2144 -18.2144 -17.8647 -17.8647 -17.8431 -17.8431 -17.8396 -17.8396 -17.8311 -17.8311 -10.9832 -10.9832 -10.6883 -10.6883 -10.6122 -10.6122 -10.5979 -10.5979 -0.5930 -0.5930 0.1238 0.1238 0.3793 0.3793 0.7757 0.7757 0.9223 0.9223 1.0253 1.0253 1.1122 1.1122 1.2482 1.2482 1.4924 1.4924 1.8936 1.8936 2.1096 2.1096 2.2189 2.2189 6.9049 6.9049 7.1864 7.1864 7.5274 7.5274 7.7318 7.7318 7.8538 7.8538 k = 0.0000 0.1374-0.0000 ( 7930 PWs) bands (ev): -36.9492 -36.9492 -36.9487 -36.9487 -18.2288 -18.2288 -18.2141 -18.2141 -17.8652 -17.8652 -17.8426 -17.8426 -17.8399 -17.8399 -17.8309 -17.8309 -10.9912 -10.9912 -10.6816 -10.6816 -10.6107 -10.6107 -10.5971 -10.5971 -0.6154 -0.6154 0.1450 0.1450 0.3714 0.3714 0.7531 0.7531 0.9222 0.9222 1.0269 1.0269 1.1090 1.1090 1.2307 1.2307 1.5147 1.5147 1.9329 1.9329 2.1231 2.1231 2.2255 2.2255 6.8811 6.8811 7.1693 7.1693 7.4714 7.4714 7.7166 7.7166 7.8213 7.8213 k = 0.0000 0.1237-0.0000 ( 7938 PWs) bands (ev): -36.9492 -36.9492 -36.9487 -36.9487 -18.2292 -18.2292 -18.2137 -18.2137 -17.8658 -17.8658 -17.8420 -17.8420 -17.8401 -17.8401 -17.8306 -17.8306 -10.9986 -10.9986 -10.6760 -10.6760 -10.6089 -10.6089 -10.5964 -10.5964 -0.6362 -0.6362 0.1635 0.1635 0.3680 0.3680 0.7299 0.7299 0.9225 0.9225 1.0286 1.0286 1.1056 1.1056 1.2138 1.2138 1.5347 1.5347 1.9703 1.9703 2.1378 2.1378 2.2313 2.2313 6.8586 6.8586 7.1489 7.1489 7.4185 7.4185 7.7027 7.7027 7.7946 7.7946 k = 0.0000 0.1099-0.0000 ( 7938 PWs) bands (ev): -36.9492 -36.9492 -36.9487 -36.9487 -18.2295 -18.2295 -18.2134 -18.2134 -17.8663 -17.8663 -17.8415 -17.8415 -17.8402 -17.8402 -17.8304 -17.8304 -11.0053 -11.0053 -10.6713 -10.6713 -10.6068 -10.6068 -10.5957 -10.5957 -0.6553 -0.6553 0.1789 0.1789 0.3695 0.3695 0.7061 0.7061 0.9228 0.9228 1.0303 1.0303 1.1024 1.1024 1.1976 1.1976 1.5523 1.5523 2.0046 2.0046 2.1537 2.1537 2.2362 2.2362 6.8378 6.8378 7.1247 7.1247 7.3717 7.3717 7.6900 7.6900 7.7728 7.7728 k = 0.0000 0.0962-0.0000 ( 7928 PWs) bands (ev): -36.9492 -36.9492 -36.9487 -36.9487 -18.2298 -18.2298 -18.2131 -18.2131 -17.8667 -17.8667 -17.8412 -17.8412 -17.8403 -17.8403 -17.8302 -17.8302 -11.0113 -11.0113 -10.6675 -10.6675 -10.6045 -10.6045 -10.5951 -10.5951 -0.6725 -0.6725 0.1907 0.1907 0.3760 0.3760 0.6820 0.6820 0.9232 0.9232 1.0321 1.0321 1.0995 1.0995 1.1822 1.1822 1.5677 1.5677 2.0345 2.0345 2.1708 2.1708 2.2403 2.2403 6.8189 6.8189 7.0969 7.0969 7.3330 7.3330 7.6787 7.6787 7.7551 7.7551 k = 0.0000 0.0824-0.0000 ( 7938 PWs) bands (ev): -36.9492 -36.9492 -36.9487 -36.9487 -18.2300 -18.2300 -18.2129 -18.2129 -17.8671 -17.8671 -17.8410 -17.8410 -17.8403 -17.8403 -17.8301 -17.8301 -11.0165 -11.0165 -10.6645 -10.6645 -10.6023 -10.6023 -10.5944 -10.5944 -0.6877 -0.6877 0.1991 0.1991 0.3873 0.3873 0.6576 0.6576 0.9236 0.9236 1.0340 1.0340 1.0973 1.0973 1.1677 1.1677 1.5809 1.5809 2.0594 2.0594 2.1889 2.1889 2.2438 2.2438 6.8020 6.8020 7.0667 7.0667 7.3028 7.3028 7.6688 7.6688 7.7406 7.7406 k = 0.0000 0.0687-0.0000 ( 7938 PWs) bands (ev): -36.9492 -36.9492 -36.9487 -36.9487 -18.2302 -18.2302 -18.2126 -18.2126 -17.8674 -17.8674 -17.8409 -17.8409 -17.8401 -17.8401 -17.8300 -17.8300 -11.0209 -11.0209 -10.6622 -10.6622 -10.6003 -10.6003 -10.5938 -10.5938 -0.7008 -0.7008 0.2046 0.2046 0.4025 0.4025 0.6330 0.6330 0.9239 0.9239 1.0360 1.0360 1.0958 1.0958 1.1542 1.1542 1.5920 1.5920 2.0792 2.0792 2.2070 2.2070 2.2469 2.2469 6.7874 6.7874 7.0361 7.0361 7.2802 7.2802 7.6603 7.6603 7.7290 7.7290 k = 0.0000 0.0550-0.0000 ( 7954 PWs) bands (ev): -36.9492 -36.9492 -36.9487 -36.9487 -18.2304 -18.2304 -18.2125 -18.2125 -17.8677 -17.8677 -17.8410 -17.8410 -17.8399 -17.8399 -17.8299 -17.8299 -11.0246 -11.0246 -10.6605 -10.6605 -10.5986 -10.5986 -10.5931 -10.5931 -0.7116 -0.7116 0.2080 0.2080 0.4208 0.4208 0.6084 0.6084 0.9242 0.9242 1.0382 1.0382 1.0951 1.0951 1.1419 1.1419 1.6010 1.6010 2.0941 2.0941 2.2235 2.2235 2.2499 2.2499 6.7752 6.7752 7.0077 7.0077 7.2637 7.2637 7.6533 7.6533 7.7197 7.7197 k = 0.0000 0.0412-0.0000 ( 7932 PWs) bands (ev): -36.9492 -36.9492 -36.9487 -36.9487 -18.2305 -18.2305 -18.2123 -18.2123 -17.8679 -17.8679 -17.8410 -17.8410 -17.8397 -17.8397 -17.8297 -17.8297 -11.0274 -11.0274 -10.6592 -10.6592 -10.5973 -10.5973 -10.5923 -10.5923 -0.7201 -0.7201 0.2100 0.2100 0.4413 0.4413 0.5837 0.5837 0.9243 0.9243 1.0404 1.0404 1.0952 1.0952 1.1311 1.1311 1.6080 1.6080 2.1050 2.1050 2.2363 2.2363 2.2537 2.2537 6.7656 6.7656 6.9836 6.9836 7.2521 7.2521 7.6478 7.6478 7.7127 7.7127 k = 0.0000 0.0275-0.0000 ( 7928 PWs) bands (ev): -36.9492 -36.9492 -36.9487 -36.9487 -18.2306 -18.2306 -18.2122 -18.2122 -17.8680 -17.8680 -17.8411 -17.8411 -17.8395 -17.8395 -17.8297 -17.8297 -11.0295 -11.0295 -10.6584 -10.6584 -10.5965 -10.5965 -10.5917 -10.5917 -0.7263 -0.7263 0.2110 0.2110 0.4633 0.4633 0.5591 0.5591 0.9243 0.9243 1.0424 1.0424 1.0962 1.0962 1.1220 1.1220 1.6130 1.6130 2.1124 2.1124 2.2434 2.2434 2.2592 2.2592 6.7586 6.7586 6.9654 6.9654 7.2444 7.2444 7.6439 7.6439 7.7078 7.7078 k = 0.0000 0.0137-0.0000 ( 7932 PWs) bands (ev): -36.9493 -36.9493 -36.9487 -36.9487 -18.2307 -18.2307 -18.2122 -18.2122 -17.8681 -17.8681 -17.8411 -17.8411 -17.8395 -17.8395 -17.8296 -17.8296 -11.0307 -11.0307 -10.6579 -10.6579 -10.5960 -10.5960 -10.5912 -10.5912 -0.7300 -0.7300 0.2116 0.2116 0.4862 0.4862 0.5348 0.5348 0.9244 0.9244 1.0438 1.0438 1.0978 1.0978 1.1152 1.1152 1.6160 1.6160 2.1167 2.1167 2.2461 2.2461 2.2644 2.2644 6.7544 6.7544 6.9540 6.9540 7.2400 7.2400 7.6416 7.6416 7.7049 7.7049 k = 0.0000 0.0000 0.0000 ( 7935 PWs) bands (ev): -36.9493 -36.9493 -36.9487 -36.9487 -18.2307 -18.2307 -18.2122 -18.2122 -17.8681 -17.8681 -17.8411 -17.8411 -17.8394 -17.8394 -17.8296 -17.8296 -11.0311 -11.0311 -10.6578 -10.6578 -10.5959 -10.5959 -10.5910 -10.5910 -0.7312 -0.7312 0.2117 0.2117 0.5064 0.5064 0.5142 0.5142 0.9244 0.9244 1.0443 1.0443 1.0988 1.0988 1.1124 1.1124 1.6170 1.6170 2.1181 2.1181 2.2468 2.2468 2.2664 2.2664 6.7530 6.7530 6.9502 6.9502 7.2386 7.2386 7.6408 7.6408 7.7039 7.7039 k = 0.0000 0.0000 0.0000 ( 7935 PWs) bands (ev): -36.9493 -36.9493 -36.9487 -36.9487 -18.2307 -18.2307 -18.2122 -18.2122 -17.8681 -17.8681 -17.8411 -17.8411 -17.8394 -17.8394 -17.8296 -17.8296 -11.0311 -11.0311 -10.6578 -10.6578 -10.5959 -10.5959 -10.5910 -10.5910 -0.7312 -0.7312 0.2117 0.2117 0.5064 0.5064 0.5142 0.5142 0.9244 0.9244 1.0443 1.0443 1.0988 1.0988 1.1124 1.1124 1.6170 1.6170 2.1181 2.1181 2.2468 2.2468 2.2664 2.2664 6.7530 6.7530 6.9502 6.9502 7.2386 7.2386 7.6408 7.6408 7.7039 7.7039 k = 0.0000 0.0000 0.0137 ( 7927 PWs) bands (ev): -36.9493 -36.9493 -36.9487 -36.9487 -18.2307 -18.2307 -18.2122 -18.2122 -17.8681 -17.8681 -17.8411 -17.8411 -17.8395 -17.8395 -17.8297 -17.8297 -11.0307 -11.0307 -10.6582 -10.6582 -10.5959 -10.5959 -10.5910 -10.5910 -0.7297 -0.7297 0.2121 0.2121 0.4981 0.4981 0.5229 0.5229 0.9244 0.9244 1.0443 1.0443 1.0953 1.0953 1.1166 1.1166 1.6158 1.6158 2.1161 2.1161 2.2454 2.2454 2.2647 2.2647 6.7545 6.7545 6.9543 6.9543 7.2398 7.2398 7.6423 7.6423 7.7043 7.7043 k = 0.0000 0.0000 0.0275 ( 7929 PWs) bands (ev): -36.9493 -36.9493 -36.9487 -36.9487 -18.2306 -18.2306 -18.2122 -18.2122 -17.8680 -17.8680 -17.8410 -17.8410 -17.8396 -17.8396 -17.8297 -17.8297 -11.0294 -11.0294 -10.6594 -10.6594 -10.5960 -10.5960 -10.5912 -10.5912 -0.7253 -0.7253 0.2133 0.2133 0.4874 0.4874 0.5351 0.5351 0.9243 0.9243 1.0441 1.0441 1.0891 1.0891 1.1246 1.1246 1.6123 1.6123 2.1102 2.1102 2.2411 2.2411 2.2596 2.2596 6.7589 6.7589 6.9663 6.9663 7.2437 7.2437 7.6466 7.6466 7.7054 7.7054 k = 0.0000 0.0000 0.0412 ( 7925 PWs) bands (ev): -36.9492 -36.9492 -36.9487 -36.9487 -18.2305 -18.2305 -18.2123 -18.2123 -17.8678 -17.8678 -17.8410 -17.8410 -17.8397 -17.8397 -17.8298 -17.8298 -11.0273 -11.0273 -10.6613 -10.6613 -10.5962 -10.5962 -10.5914 -10.5914 -0.7179 -0.7179 0.2152 0.2152 0.4771 0.4771 0.5480 0.5480 0.9242 0.9242 1.0439 1.0439 1.0830 1.0830 1.1339 1.1339 1.6063 1.6063 2.1002 2.1002 2.2339 2.2339 2.2518 2.2518 6.7662 6.7662 6.9857 6.9857 7.2504 7.2504 7.6539 7.6539 7.7075 7.7075 k = 0.0000 0.0000 0.0550 ( 7933 PWs) bands (ev): -36.9492 -36.9492 -36.9487 -36.9487 -18.2304 -18.2304 -18.2125 -18.2125 -17.8676 -17.8676 -17.8410 -17.8410 -17.8399 -17.8399 -17.8299 -17.8299 -11.0244 -11.0244 -10.6642 -10.6642 -10.5964 -10.5964 -10.5917 -10.5917 -0.7076 -0.7076 0.2175 0.2175 0.4675 0.4675 0.5615 0.5615 0.9241 0.9241 1.0434 1.0434 1.0774 1.0774 1.1440 1.1440 1.5980 1.5980 2.0857 2.0857 2.2238 2.2238 2.2419 2.2419 6.7763 6.7763 7.0112 7.0112 7.2606 7.2606 7.6639 7.6639 7.7109 7.7109 k = 0.0000 0.0000 0.0687 ( 7915 PWs) bands (ev): -36.9492 -36.9492 -36.9487 -36.9487 -18.2302 -18.2302 -18.2126 -18.2126 -17.8673 -17.8673 -17.8409 -17.8409 -17.8401 -17.8401 -17.8300 -17.8300 -11.0207 -11.0207 -10.6678 -10.6678 -10.5967 -10.5967 -10.5920 -10.5920 -0.6944 -0.6944 0.2199 0.2199 0.4588 0.4588 0.5755 0.5755 0.9238 0.9238 1.0426 1.0426 1.0727 1.0727 1.1548 1.1548 1.5872 1.5872 2.0666 2.0666 2.2114 2.2114 2.2304 2.2304 6.7890 6.7890 7.0413 7.0413 7.2755 7.2755 7.6765 7.6765 7.7159 7.7159 k = 0.0000 0.0000 0.0824 ( 7911 PWs) bands (ev): -36.9492 -36.9492 -36.9487 -36.9487 -18.2299 -18.2299 -18.2129 -18.2129 -17.8670 -17.8670 -17.8410 -17.8410 -17.8403 -17.8403 -17.8301 -17.8301 -11.0162 -11.0162 -10.6723 -10.6723 -10.5969 -10.5969 -10.5923 -10.5923 -0.6785 -0.6785 0.2218 0.2218 0.4516 0.4516 0.5902 0.5902 0.9234 0.9234 1.0415 1.0415 1.0689 1.0689 1.1662 1.1662 1.5741 1.5741 2.0428 2.0428 2.1973 2.1973 2.2176 2.2176 6.8043 6.8043 7.0733 7.0733 7.2964 7.2964 7.6917 7.6917 7.7233 7.7233 k = 0.0000 0.0000 0.0962 ( 7907 PWs) bands (ev): -36.9492 -36.9492 -36.9487 -36.9487 -18.2297 -18.2297 -18.2131 -18.2131 -17.8665 -17.8665 -17.8412 -17.8412 -17.8403 -17.8403 -17.8303 -17.8303 -11.0109 -11.0109 -10.6776 -10.6776 -10.5972 -10.5972 -10.5926 -10.5926 -0.6599 -0.6599 0.2227 0.2227 0.4463 0.4463 0.6054 0.6054 0.9227 0.9227 1.0400 1.0400 1.0661 1.0661 1.1784 1.1784 1.5586 1.5586 2.0144 2.0144 2.1821 2.1821 2.2035 2.2035 6.8218 6.8218 7.1041 7.1041 7.3254 7.3254 7.7092 7.7092 7.7335 7.7335 k = 0.0000 0.0000 0.1099 ( 7913 PWs) bands (ev): -36.9492 -36.9492 -36.9487 -36.9487 -18.2294 -18.2294 -18.2134 -18.2134 -17.8661 -17.8661 -17.8417 -17.8417 -17.8401 -17.8401 -17.8305 -17.8305 -11.0048 -11.0048 -10.6837 -10.6837 -10.5975 -10.5975 -10.5929 -10.5929 -0.6387 -0.6387 0.2217 0.2217 0.4436 0.4436 0.6212 0.6212 0.9217 0.9217 1.0384 1.0384 1.0642 1.0642 1.1912 1.1912 1.5406 1.5406 1.9820 1.9820 2.1663 2.1663 2.1883 2.1883 6.8413 6.8413 7.1311 7.1311 7.3639 7.3639 7.7286 7.7286 7.7474 7.7474 k = 0.0000 0.0000 0.1236 ( 7897 PWs) bands (ev): -36.9492 -36.9492 -36.9487 -36.9487 -18.2290 -18.2290 -18.2138 -18.2138 -17.8656 -17.8656 -17.8421 -17.8421 -17.8400 -17.8400 -17.8307 -17.8307 -10.9980 -10.9980 -10.6907 -10.6907 -10.5978 -10.5978 -10.5932 -10.5932 -0.6151 -0.6151 0.2180 0.2180 0.4441 0.4441 0.6376 0.6376 0.9204 0.9204 1.0368 1.0368 1.0630 1.0630 1.2047 1.2047 1.5201 1.5201 1.9462 1.9462 2.1502 2.1502 2.1722 2.1722 6.8627 6.8627 7.1529 7.1529 7.4113 7.4113 7.7498 7.7498 7.7661 7.7661 k = 0.0000 0.0000 0.1374 ( 7907 PWs) bands (ev): -36.9492 -36.9492 -36.9487 -36.9487 -18.2286 -18.2286 -18.2142 -18.2142 -17.8650 -17.8650 -17.8427 -17.8427 -17.8398 -17.8398 -17.8309 -17.8309 -10.9905 -10.9905 -10.6984 -10.6984 -10.5980 -10.5980 -10.5935 -10.5935 -0.5891 -0.5891 0.2111 0.2111 0.4484 0.4484 0.6545 0.6545 0.9185 0.9185 1.0355 1.0355 1.0622 1.0622 1.2188 1.2188 1.4972 1.4972 1.9080 1.9080 2.1339 2.1339 2.1555 2.1555 6.8855 6.8855 7.1696 7.1696 7.4654 7.4654 7.7726 7.7726 7.7909 7.7909 k = 0.0000 0.0000 0.1511 ( 7897 PWs) bands (ev): -36.9492 -36.9492 -36.9488 -36.9488 -18.2282 -18.2282 -18.2146 -18.2146 -17.8644 -17.8644 -17.8434 -17.8434 -17.8395 -17.8395 -17.8312 -17.8312 -10.9823 -10.9823 -10.7069 -10.7069 -10.5982 -10.5982 -10.5938 -10.5938 -0.5610 -0.5610 0.2006 0.2006 0.4566 0.4566 0.6717 0.6717 0.9161 0.9161 1.0348 1.0348 1.0615 1.0615 1.2336 1.2336 1.4718 1.4718 1.8682 1.8682 2.1176 2.1176 2.1383 2.1383 6.9095 6.9095 7.1822 7.1822 7.5221 7.5221 7.7968 7.7968 7.8234 7.8234 k = 0.0000 0.0000 0.1649 ( 7891 PWs) bands (ev): -36.9492 -36.9492 -36.9488 -36.9488 -18.2278 -18.2278 -18.2150 -18.2150 -17.8637 -17.8637 -17.8441 -17.8441 -17.8393 -17.8393 -17.8314 -17.8314 -10.9735 -10.9735 -10.7161 -10.7161 -10.5983 -10.5983 -10.5941 -10.5941 -0.5310 -0.5310 0.1866 0.1866 0.4687 0.4687 0.6892 0.6892 0.9131 0.9131 1.0348 1.0348 1.0608 1.0608 1.2490 1.2490 1.4441 1.4441 1.8278 1.8278 2.1013 2.1013 2.1210 2.1210 6.9344 6.9344 7.1917 7.1917 7.5774 7.5774 7.8219 7.8219 7.8647 7.8648 k = 0.0000 0.0000 0.1786 ( 7893 PWs) bands (ev): -36.9491 -36.9491 -36.9488 -36.9488 -18.2273 -18.2273 -18.2155 -18.2155 -17.8629 -17.8629 -17.8448 -17.8448 -17.8390 -17.8390 -17.8317 -17.8317 -10.9641 -10.9641 -10.7259 -10.7259 -10.5984 -10.5984 -10.5944 -10.5944 -0.4991 -0.4991 0.1692 0.1692 0.4843 0.4843 0.7068 0.7068 0.9095 0.9095 1.0356 1.0356 1.0599 1.0599 1.2650 1.2650 1.4143 1.4143 1.7875 1.7875 2.0852 2.0852 2.1039 2.1039 6.9597 6.9597 7.1987 7.1987 7.6280 7.6280 7.8475 7.8475 7.8822 7.8822 k = 0.0000 0.0000 0.1923 ( 7881 PWs) bands (ev): -36.9491 -36.9491 -36.9488 -36.9488 -18.2268 -18.2268 -18.2160 -18.2160 -17.8622 -17.8622 -17.8456 -17.8456 -17.8387 -17.8387 -17.8320 -17.8320 -10.9541 -10.9541 -10.7363 -10.7363 -10.5985 -10.5985 -10.5947 -10.5947 -0.4656 -0.4656 0.1486 0.1486 0.5031 0.5031 0.7242 0.7242 0.9055 0.9055 1.0371 1.0371 1.0586 1.0586 1.2812 1.2812 1.3827 1.3827 1.7480 1.7480 2.0696 2.0696 2.0873 2.0873 6.9852 6.9852 7.2037 7.2037 7.6723 7.6723 7.8729 7.8729 7.8981 7.8981 k = 0.0000 0.0000 0.2061 ( 7881 PWs) bands (ev): -36.9491 -36.9491 -36.9488 -36.9488 -18.2262 -18.2262 -18.2165 -18.2165 -17.8613 -17.8613 -17.8464 -17.8464 -17.8384 -17.8384 -17.8324 -17.8324 -10.9436 -10.9436 -10.7473 -10.7473 -10.5985 -10.5985 -10.5950 -10.5950 -0.4308 -0.4308 0.1254 0.1254 0.5245 0.5245 0.7410 0.7410 0.9012 0.9012 1.0390 1.0390 1.0570 1.0570 1.2969 1.2969 1.3509 1.3509 1.7099 1.7099 2.0547 2.0547 2.0714 2.0714 7.0104 7.0104 7.2069 7.2069 7.7111 7.7111 7.8976 7.8976 7.9142 7.9142 k = 0.0000 0.0000 0.2198 ( 7887 PWs) bands (ev): -36.9491 -36.9491 -36.9488 -36.9488 -18.2257 -18.2257 -18.2171 -18.2171 -17.8605 -17.8605 -17.8473 -17.8473 -17.8380 -17.8380 -17.8327 -17.8327 -10.9326 -10.9326 -10.7587 -10.7587 -10.5984 -10.5984 -10.5953 -10.5953 -0.3948 -0.3948 0.0996 0.0996 0.5482 0.5482 0.7563 0.7563 0.8974 0.8974 1.0400 1.0400 1.0561 1.0561 1.3013 1.3013 1.3300 1.3300 1.6734 1.6734 2.0407 2.0407 2.0564 2.0564 7.0351 7.0351 7.2083 7.2083 7.7460 7.7460 7.9210 7.9210 7.9304 7.9304 k = 0.0000 0.0000 0.2335 ( 7889 PWs) bands (ev): -36.9491 -36.9491 -36.9488 -36.9488 -18.2251 -18.2251 -18.2177 -18.2177 -17.8596 -17.8596 -17.8482 -17.8482 -17.8377 -17.8377 -17.8331 -17.8331 -10.9211 -10.9211 -10.7705 -10.7705 -10.5984 -10.5984 -10.5956 -10.5956 -0.3578 -0.3578 0.0717 0.0717 0.5735 0.5735 0.7692 0.7692 0.8947 0.8947 1.0380 1.0380 1.0579 1.0579 1.2745 1.2745 1.3409 1.3409 1.6388 1.6388 2.0282 2.0282 2.0426 2.0426 7.0588 7.0588 7.2081 7.2081 7.7784 7.7784 7.9421 7.9421 7.9464 7.9464 k = 0.0000 0.0000 0.2473 ( 7886 PWs) bands (ev): -36.9491 -36.9491 -36.9489 -36.9489 -18.2245 -18.2245 -18.2182 -18.2182 -17.8587 -17.8587 -17.8491 -17.8491 -17.8373 -17.8373 -17.8335 -17.8335 -10.9093 -10.9093 -10.7827 -10.7827 -10.5982 -10.5982 -10.5959 -10.5959 -0.3202 -0.3202 0.0417 0.0417 0.6002 0.6002 0.7779 0.7779 0.8949 0.8949 1.0319 1.0319 1.0628 1.0628 1.2419 1.2419 1.3591 1.3591 1.6061 1.6061 2.0172 2.0172 2.0301 2.0301 7.0814 7.0814 7.2062 7.2062 7.8094 7.8094 7.9594 7.9594 7.9630 7.9630 k = 0.0000 0.0000 0.2610 ( 7890 PWs) bands (ev): -36.9490 -36.9490 -36.9489 -36.9489 -18.2239 -18.2239 -18.2189 -18.2189 -17.8578 -17.8578 -17.8500 -17.8500 -17.8370 -17.8370 -17.8338 -17.8338 -10.8972 -10.8972 -10.7952 -10.7952 -10.5981 -10.5981 -10.5962 -10.5962 -0.2821 -0.2821 0.0100 0.0100 0.6275 0.6275 0.7806 0.7806 0.8994 0.8994 1.0223 1.0223 1.0699 1.0699 1.2105 1.2105 1.3789 1.3789 1.5752 1.5752 2.0083 2.0083 2.0192 2.0192 7.1025 7.1025 7.2025 7.2025 7.8398 7.8398 7.9733 7.9733 7.9785 7.9785 k = 0.0000 0.0000 0.2748 ( 7906 PWs) bands (ev): -36.9490 -36.9490 -36.9489 -36.9489 -18.2233 -18.2233 -18.2195 -18.2195 -17.8569 -17.8569 -17.8510 -17.8510 -17.8366 -17.8366 -17.8343 -17.8343 -10.8848 -10.8848 -10.8078 -10.8078 -10.5979 -10.5979 -10.5965 -10.5965 -0.2438 -0.2438 -0.0232 -0.0232 0.6549 0.6549 0.7763 0.7763 0.9090 0.9090 1.0097 1.0097 1.0789 1.0789 1.1817 1.1817 1.3996 1.3996 1.5461 1.5461 2.0014 2.0014 2.0101 2.0101 7.1219 7.1219 7.1970 7.1970 7.8699 7.8699 7.9851 7.9851 7.9907 7.9907 k = 0.0000 0.0000 0.2885 ( 7914 PWs) bands (ev): -36.9490 -36.9490 -36.9489 -36.9489 -18.2227 -18.2227 -18.2201 -18.2201 -17.8559 -17.8559 -17.8520 -17.8520 -17.8362 -17.8362 -17.8346 -17.8346 -10.8722 -10.8722 -10.8207 -10.8207 -10.5977 -10.5977 -10.5968 -10.5968 -0.2056 -0.2056 -0.0578 -0.0578 0.6816 0.6816 0.7657 0.7657 0.9229 0.9229 0.9942 0.9942 1.0896 1.0896 1.1566 1.1566 1.4213 1.4213 1.5186 1.5186 1.9969 1.9969 2.0029 2.0029 7.1395 7.1395 7.1895 7.1895 7.9001 7.9001 7.9944 7.9944 7.9990 7.9990 k = 0.0000 0.0000 0.3022 ( 7906 PWs) bands (ev): -36.9490 -36.9490 -36.9489 -36.9489 -18.2220 -18.2220 -18.2208 -18.2208 -17.8549 -17.8549 -17.8530 -17.8530 -17.8358 -17.8358 -17.8350 -17.8350 -10.8594 -10.8594 -10.8336 -10.8336 -10.5975 -10.5975 -10.5970 -10.5970 -0.1677 -0.1677 -0.0935 -0.0935 0.7069 0.7069 0.7499 0.7499 0.9397 0.9397 0.9767 0.9767 1.1022 1.1022 1.1352 1.1352 1.4440 1.4440 1.4925 1.4925 1.9948 1.9948 1.9979 1.9979 7.1551 7.1551 7.1801 7.1801 7.9306 7.9306 7.9914 7.9914 8.0020 8.0020 k = 0.0000 0.0000 0.3160 ( 7898 PWs) bands (ev): -36.9490 -36.9490 -36.9490 -36.9490 -18.2214 -18.2214 -18.2214 -18.2214 -17.8539 -17.8539 -17.8539 -17.8539 -17.8354 -17.8354 -17.8354 -17.8354 -10.8465 -10.8465 -10.8465 -10.8465 -10.5973 -10.5973 -10.5973 -10.5973 -0.1302 -0.1302 -0.1302 -0.1302 0.7300 0.7300 0.7300 0.7300 0.9581 0.9581 0.9581 0.9581 1.1172 1.1172 1.1172 1.1172 1.4677 1.4677 1.4677 1.4677 1.9952 1.9952 1.9952 1.9952 7.1686 7.1686 7.1686 7.1686 7.9614 7.9614 7.9614 7.9614 8.0049 8.0049 k = 0.0000 0.0000 0.3160 ( 7898 PWs) bands (ev): -36.9490 -36.9490 -36.9490 -36.9490 -18.2214 -18.2214 -18.2214 -18.2214 -17.8539 -17.8539 -17.8539 -17.8539 -17.8354 -17.8354 -17.8354 -17.8354 -10.8465 -10.8465 -10.8465 -10.8465 -10.5973 -10.5973 -10.5973 -10.5973 -0.1302 -0.1302 -0.1302 -0.1302 0.7300 0.7300 0.7300 0.7300 0.9581 0.9581 0.9581 0.9581 1.1172 1.1172 1.1172 1.1172 1.4677 1.4677 1.4677 1.4677 1.9952 1.9952 1.9952 1.9952 7.1686 7.1686 7.1686 7.1686 7.9614 7.9614 7.9614 7.9614 8.0049 8.0049 k = 0.0135-0.0000 0.3160 ( 7902 PWs) bands (ev): -36.9490 -36.9490 -36.9490 -36.9490 -18.2216 -18.2216 -18.2212 -18.2212 -17.8539 -17.8539 -17.8539 -17.8539 -17.8357 -17.8357 -17.8352 -17.8352 -10.8462 -10.8462 -10.8462 -10.8462 -10.5974 -10.5974 -10.5973 -10.5973 -0.1308 -0.1308 -0.1283 -0.1283 0.7249 0.7249 0.7328 0.7328 0.9520 0.9520 0.9623 0.9623 1.1121 1.1121 1.1215 1.1215 1.4598 1.4598 1.4753 1.4753 1.9902 1.9902 2.0002 2.0002 7.1714 7.1714 7.1716 7.1716 7.9555 7.9555 7.9593 7.9593 8.0048 8.0048 k = 0.0270-0.0000 0.3160 ( 7896 PWs) bands (ev): -36.9490 -36.9490 -36.9489 -36.9489 -18.2218 -18.2218 -18.2211 -18.2211 -17.8539 -17.8539 -17.8539 -17.8539 -17.8361 -17.8361 -17.8352 -17.8352 -10.8454 -10.8454 -10.8454 -10.8454 -10.5976 -10.5976 -10.5974 -10.5974 -0.1301 -0.1301 -0.1252 -0.1252 0.7176 0.7176 0.7331 0.7331 0.9440 0.9440 0.9647 0.9647 1.1061 1.1061 1.1250 1.1250 1.4521 1.4521 1.4823 1.4823 1.9855 1.9855 2.0052 2.0052 7.1799 7.1799 7.1803 7.1803 7.9443 7.9443 7.9498 7.9498 8.0091 8.0091 k = 0.0405-0.0000 0.3160 ( 7898 PWs) bands (ev): -36.9489 -36.9489 -36.9489 -36.9489 -18.2221 -18.2221 -18.2210 -18.2210 -17.8539 -17.8539 -17.8538 -17.8538 -17.8366 -17.8366 -17.8352 -17.8352 -10.8441 -10.8441 -10.8440 -10.8440 -10.5980 -10.5980 -10.5977 -10.5977 -0.1281 -0.1281 -0.1207 -0.1207 0.7080 0.7080 0.7308 0.7308 0.9343 0.9343 0.9655 0.9655 1.0989 1.0989 1.1279 1.1279 1.4450 1.4450 1.4887 1.4887 1.9811 1.9811 2.0100 2.0100 7.1939 7.1939 7.1945 7.1945 7.9296 7.9296 7.9354 7.9354 8.0151 8.0151 k = 0.0541-0.0000 0.3160 ( 7894 PWs) bands (ev): -36.9489 -36.9489 -36.9489 -36.9489 -18.2224 -18.2224 -18.2209 -18.2209 -17.8538 -17.8538 -17.8537 -17.8537 -17.8373 -17.8373 -17.8354 -17.8354 -10.8422 -10.8422 -10.8420 -10.8420 -10.5985 -10.5985 -10.5980 -10.5980 -0.1249 -0.1249 -0.1150 -0.1150 0.6963 0.6963 0.7256 0.7256 0.9229 0.9229 0.9649 0.9649 1.0905 1.0905 1.1301 1.1301 1.4387 1.4387 1.4941 1.4941 1.9771 1.9771 2.0144 2.0144 7.2133 7.2133 7.2140 7.2140 7.9121 7.9121 7.9177 7.9177 8.0214 8.0214 k = 0.0676-0.0000 0.3160 ( 7898 PWs) bands (ev): -36.9489 -36.9489 -36.9489 -36.9489 -18.2227 -18.2227 -18.2209 -18.2209 -17.8537 -17.8537 -17.8536 -17.8536 -17.8380 -17.8380 -17.8357 -17.8357 -10.8397 -10.8397 -10.8396 -10.8396 -10.5991 -10.5991 -10.5985 -10.5985 -0.1204 -0.1204 -0.1080 -0.1080 0.6824 0.6824 0.7173 0.7173 0.9102 0.9102 0.9631 0.9631 1.0809 1.0809 1.1317 1.1317 1.4337 1.4337 1.4988 1.4988 1.9734 1.9734 2.0183 2.0183 7.2377 7.2377 7.2386 7.2386 7.8921 7.8921 7.8971 7.8971 8.0275 8.0275 k = 0.0811-0.0000 0.3160 ( 7900 PWs) bands (ev): -36.9489 -36.9489 -36.9489 -36.9489 -18.2231 -18.2231 -18.2209 -18.2209 -17.8536 -17.8536 -17.8535 -17.8535 -17.8388 -17.8388 -17.8361 -17.8361 -10.8368 -10.8368 -10.8366 -10.8366 -10.5998 -10.5998 -10.5991 -10.5991 -0.1148 -0.1148 -0.0999 -0.0999 0.6663 0.6663 0.7058 0.7058 0.8962 0.8962 0.9604 0.9604 1.0702 1.0702 1.1328 1.1328 1.4302 1.4302 1.5026 1.5026 1.9700 1.9700 2.0214 2.0214 7.2668 7.2668 7.2678 7.2678 7.8696 7.8696 7.8740 7.8740 8.0334 8.0334 k = 0.0946-0.0000 0.3160 ( 7904 PWs) bands (ev): -36.9488 -36.9488 -36.9488 -36.9488 -18.2235 -18.2235 -18.2209 -18.2209 -17.8534 -17.8534 -17.8534 -17.8534 -17.8396 -17.8396 -17.8366 -17.8366 -10.8334 -10.8334 -10.8332 -10.8332 -10.6006 -10.6006 -10.5998 -10.5998 -0.1080 -0.1080 -0.0907 -0.0907 0.6479 0.6479 0.6908 0.6908 0.8812 0.8812 0.9569 0.9569 1.0588 1.0588 1.1333 1.1333 1.4281 1.4281 1.5058 1.5058 1.9667 1.9667 2.0238 2.0238 7.3001 7.3001 7.3012 7.3012 7.8447 7.8447 7.8484 7.8484 8.0390 8.0390 k = 0.1081-0.0000 0.3160 ( 7910 PWs) bands (ev): -36.9488 -36.9488 -36.9488 -36.9488 -18.2239 -18.2239 -18.2210 -18.2210 -17.8533 -17.8533 -17.8533 -17.8533 -17.8406 -17.8406 -17.8372 -17.8372 -10.8295 -10.8295 -10.8293 -10.8293 -10.6016 -10.6016 -10.6006 -10.6006 -0.1001 -0.1001 -0.0804 -0.0804 0.6275 0.6275 0.6723 0.6723 0.8655 0.8655 0.9529 0.9529 1.0472 1.0472 1.1334 1.1334 1.4274 1.4274 1.5084 1.5084 1.9636 1.9636 2.0252 2.0252 7.3370 7.3370 7.3382 7.3382 7.8174 7.8174 7.8206 7.8206 8.0445 8.0445 k = 0.1216-0.0000 0.3160 ( 7914 PWs) bands (ev): -36.9488 -36.9488 -36.9487 -36.9487 -18.2244 -18.2244 -18.2211 -18.2211 -17.8533 -17.8533 -17.8531 -17.8531 -17.8415 -17.8415 -17.8378 -17.8378 -10.8252 -10.8252 -10.8249 -10.8249 -10.6026 -10.6026 -10.6016 -10.6016 -0.0912 -0.0912 -0.0691 -0.0691 0.6048 0.6048 0.6502 0.6502 0.8493 0.8493 0.9482 0.9482 1.0357 1.0357 1.1331 1.1331 1.4281 1.4281 1.5106 1.5106 1.9603 1.9603 2.0256 2.0256 7.3771 7.3771 7.3784 7.3784 7.7880 7.7880 7.7905 7.7905 8.0499 8.0499 k = 0.1351-0.0000 0.3160 ( 7918 PWs) bands (ev): -36.9487 -36.9487 -36.9487 -36.9487 -18.2249 -18.2249 -18.2212 -18.2212 -17.8534 -17.8534 -17.8529 -17.8529 -17.8424 -17.8424 -17.8386 -17.8386 -10.8204 -10.8204 -10.8201 -10.8201 -10.6037 -10.6037 -10.6026 -10.6026 -0.0813 -0.0813 -0.0570 -0.0570 0.5801 0.5801 0.6246 0.6246 0.8328 0.8328 0.9430 0.9430 1.0249 1.0249 1.1324 1.1324 1.4299 1.4299 1.5126 1.5126 1.9569 1.9569 2.0250 2.0250 7.4198 7.4198 7.4212 7.4212 7.7564 7.7564 7.7584 7.7584 8.0554 8.0554 k = 0.1486-0.0000 0.3160 ( 7916 PWs) bands (ev): -36.9487 -36.9487 -36.9487 -36.9487 -18.2254 -18.2254 -18.2213 -18.2213 -17.8536 -17.8536 -17.8528 -17.8528 -17.8432 -17.8432 -17.8393 -17.8393 -10.8153 -10.8153 -10.8150 -10.8150 -10.6050 -10.6050 -10.6037 -10.6037 -0.0705 -0.0705 -0.0442 -0.0442 0.5535 0.5535 0.5959 0.5959 0.8164 0.8164 0.9373 0.9373 1.0151 1.0151 1.1314 1.1314 1.4327 1.4327 1.5145 1.5145 1.9531 1.9531 2.0234 2.0234 7.4642 7.4642 7.4659 7.4659 7.7229 7.7229 7.7246 7.7246 8.0612 8.0612 k = 0.1622-0.0000 0.3160 ( 7920 PWs) bands (ev): -36.9486 -36.9486 -36.9486 -36.9486 -18.2259 -18.2259 -18.2215 -18.2215 -17.8540 -17.8540 -17.8526 -17.8526 -17.8439 -17.8439 -17.8401 -17.8401 -10.8098 -10.8098 -10.8095 -10.8095 -10.6063 -10.6063 -10.6049 -10.6049 -0.0590 -0.0590 -0.0308 -0.0308 0.5253 0.5253 0.5643 0.5643 0.8002 0.8002 0.9311 0.9311 1.0065 1.0065 1.1301 1.1301 1.4363 1.4363 1.5163 1.5163 1.9489 1.9489 2.0206 2.0206 7.5099 7.5099 7.5120 7.5120 7.6877 7.6877 7.6892 7.6892 8.0672 8.0672 k = 0.1757-0.0000 0.3160 ( 7916 PWs) bands (ev): -36.9486 -36.9486 -36.9485 -36.9485 -18.2265 -18.2265 -18.2217 -18.2217 -17.8545 -17.8545 -17.8525 -17.8525 -17.8444 -17.8444 -17.8409 -17.8409 -10.8040 -10.8040 -10.8036 -10.8036 -10.6077 -10.6077 -10.6062 -10.6062 -0.0468 -0.0468 -0.0170 -0.0170 0.4957 0.4957 0.5303 0.5303 0.7845 0.7845 0.9246 0.9246 0.9990 0.9990 1.1285 1.1285 1.4406 1.4406 1.5182 1.5182 1.9441 1.9441 2.0167 2.0167 7.5557 7.5557 7.5586 7.5586 7.6512 7.6512 7.6530 7.6530 8.0737 8.0737 k = 0.1892-0.0000 0.3160 ( 7922 PWs) bands (ev): -36.9485 -36.9485 -36.9485 -36.9485 -18.2271 -18.2271 -18.2220 -18.2220 -17.8553 -17.8553 -17.8525 -17.8525 -17.8447 -17.8447 -17.8417 -17.8417 -10.7980 -10.7980 -10.7975 -10.7975 -10.6091 -10.6091 -10.6076 -10.6076 -0.0340 -0.0340 -0.0032 -0.0032 0.4652 0.4652 0.4943 0.4943 0.7694 0.7694 0.9181 0.9181 0.9925 0.9925 1.1266 1.1266 1.4454 1.4454 1.5203 1.5203 1.9387 1.9387 2.0118 2.0118 7.5948 7.5948 7.6012 7.6012 7.6179 7.6179 7.6224 7.6224 8.0807 8.0807 k = 0.2027-0.0000 0.3160 ( 7914 PWs) bands (ev): -36.9484 -36.9484 -36.9484 -36.9484 -18.2276 -18.2276 -18.2222 -18.2222 -17.8563 -17.8563 -17.8525 -17.8525 -17.8448 -17.8448 -17.8424 -17.8424 -10.7917 -10.7917 -10.7912 -10.7912 -10.6107 -10.6107 -10.6090 -10.6090 -0.0207 -0.0207 0.0104 0.0104 0.4342 0.4342 0.4568 0.4568 0.7552 0.7552 0.9118 0.9118 0.9866 0.9866 1.1242 1.1242 1.4507 1.4507 1.5226 1.5226 1.9326 1.9326 2.0058 2.0058 7.5718 7.5718 7.5730 7.5730 7.6526 7.6526 7.6542 7.6542 8.0884 8.0884 k = 0.2162-0.0000 0.3160 ( 7908 PWs) bands (ev): -36.9484 -36.9484 -36.9484 -36.9484 -18.2283 -18.2283 -18.2225 -18.2225 -17.8575 -17.8575 -17.8527 -17.8527 -17.8448 -17.8448 -17.8429 -17.8429 -10.7851 -10.7851 -10.7847 -10.7847 -10.6123 -10.6123 -10.6105 -10.6105 -0.0071 -0.0071 0.0233 0.0233 0.4035 0.4035 0.4183 0.4183 0.7420 0.7420 0.9060 0.9060 0.9812 0.9812 1.1214 1.1214 1.4564 1.4564 1.5252 1.5252 1.9259 1.9259 1.9987 1.9987 7.5333 7.5333 7.5339 7.5339 7.6968 7.6968 7.7001 7.7001 8.0967 8.0967 k = 0.2297-0.0000 0.3160 ( 7908 PWs) bands (ev): -36.9483 -36.9483 -36.9483 -36.9483 -18.2289 -18.2289 -18.2228 -18.2228 -17.8588 -17.8588 -17.8530 -17.8530 -17.8446 -17.8446 -17.8434 -17.8434 -10.7785 -10.7785 -10.7780 -10.7780 -10.6139 -10.6139 -10.6121 -10.6121 0.0066 0.0066 0.0348 0.0348 0.3738 0.3738 0.3793 0.3793 0.7298 0.7298 0.9008 0.9008 0.9760 0.9760 1.1181 1.1181 1.4624 1.4624 1.5281 1.5281 1.9183 1.9183 1.9907 1.9907 7.4938 7.4938 7.4941 7.4941 7.7403 7.7403 7.7450 7.7450 8.1058 8.1058 k = 0.2432-0.0000 0.3160 ( 7916 PWs) bands (ev): -36.9482 -36.9482 -36.9482 -36.9482 -18.2295 -18.2295 -18.2231 -18.2231 -17.8602 -17.8602 -17.8535 -17.8535 -17.8444 -17.8444 -17.8437 -17.8437 -10.7717 -10.7717 -10.7712 -10.7712 -10.6156 -10.6156 -10.6137 -10.6137 0.0203 0.0203 0.0442 0.0442 0.3403 0.3403 0.3462 0.3462 0.7188 0.7188 0.8965 0.8965 0.9707 0.9707 1.1143 1.1143 1.4688 1.4688 1.5315 1.5315 1.9101 1.9101 1.9818 1.9818 7.4540 7.4540 7.4543 7.4543 7.7821 7.7821 7.7884 7.7884 8.1155 8.1155 k = 0.2568-0.0000 0.3160 ( 7904 PWs) bands (ev): -36.9482 -36.9482 -36.9482 -36.9482 -18.2301 -18.2301 -18.2235 -18.2235 -17.8616 -17.8616 -17.8541 -17.8541 -17.8441 -17.8441 -17.8439 -17.8439 -10.7648 -10.7648 -10.7643 -10.7643 -10.6174 -10.6174 -10.6154 -10.6154 0.0336 0.0336 0.0504 0.0504 0.3020 0.3020 0.3220 0.3220 0.7091 0.7091 0.8929 0.8929 0.9654 0.9654 1.1098 1.1098 1.4755 1.4755 1.5352 1.5352 1.9012 1.9012 1.9719 1.9719 7.4144 7.4144 7.4146 7.4146 7.8218 7.8218 7.8300 7.8300 8.1246 8.1246 k = 0.2703-0.0000 0.3160 ( 7906 PWs) bands (ev): -36.9481 -36.9481 -36.9481 -36.9481 -18.2308 -18.2308 -18.2238 -18.2238 -17.8630 -17.8630 -17.8548 -17.8548 -17.8439 -17.8439 -17.8437 -17.8437 -10.7580 -10.7580 -10.7574 -10.7574 -10.6192 -10.6192 -10.6171 -10.6171 0.0462 0.0462 0.0520 0.0520 0.2648 0.2648 0.3025 0.3025 0.7007 0.7007 0.8901 0.8901 0.9600 0.9600 1.1046 1.1046 1.4824 1.4824 1.5395 1.5395 1.8916 1.8916 1.9613 1.9613 7.3753 7.3753 7.3754 7.3754 7.8587 7.8587 7.8691 7.8691 8.1346 8.1346 k = 0.2838-0.0000 0.3160 ( 7898 PWs) bands (ev): -36.9481 -36.9481 -36.9480 -36.9480 -18.2314 -18.2314 -18.2242 -18.2242 -17.8644 -17.8644 -17.8557 -17.8557 -17.8438 -17.8438 -17.8433 -17.8433 -10.7511 -10.7511 -10.7505 -10.7505 -10.6210 -10.6210 -10.6189 -10.6189 0.0480 0.0480 0.0573 0.0573 0.2299 0.2299 0.2889 0.2889 0.6936 0.6936 0.8881 0.8881 0.9545 0.9545 1.0987 1.0987 1.4897 1.4897 1.5442 1.5442 1.8814 1.8814 1.9500 1.9500 7.3370 7.3370 7.3370 7.3370 7.8927 7.8927 7.9054 7.9054 8.1458 8.1458 k = 0.2973-0.0000 0.3160 ( 7894 PWs) bands (ev): -36.9480 -36.9480 -36.9480 -36.9480 -18.2320 -18.2320 -18.2245 -18.2245 -17.8659 -17.8659 -17.8565 -17.8565 -17.8437 -17.8437 -17.8429 -17.8429 -10.7442 -10.7442 -10.7436 -10.7436 -10.6229 -10.6229 -10.6207 -10.6207 0.0381 0.0381 0.0654 0.0654 0.1989 0.1989 0.2818 0.2818 0.6880 0.6880 0.8865 0.8865 0.9491 0.9491 1.0922 1.0922 1.4972 1.4972 1.5494 1.5494 1.8706 1.8706 1.9380 1.9380 7.2996 7.2996 7.2996 7.2996 7.9232 7.9232 7.9382 7.9382 8.1587 8.1587 k = 0.3108-0.0000 0.3160 ( 7896 PWs) bands (ev): -36.9479 -36.9479 -36.9479 -36.9479 -18.2326 -18.2326 -18.2249 -18.2249 -17.8673 -17.8673 -17.8575 -17.8575 -17.8435 -17.8435 -17.8425 -17.8425 -10.7375 -10.7375 -10.7369 -10.7369 -10.6248 -10.6248 -10.6225 -10.6225 0.0230 0.0230 0.0675 0.0675 0.1750 0.1750 0.2804 0.2804 0.6838 0.6838 0.8851 0.8851 0.9442 0.9442 1.0851 1.0851 1.5050 1.5050 1.5551 1.5551 1.8594 1.8594 1.9254 1.9254 7.2633 7.2633 7.2634 7.2634 7.9500 7.9500 7.9672 7.9672 8.1735 8.1735 k = 0.3243-0.0000 0.3160 ( 7904 PWs) bands (ev): -36.9479 -36.9479 -36.9479 -36.9479 -18.2333 -18.2333 -18.2253 -18.2253 -17.8686 -17.8686 -17.8584 -17.8584 -17.8432 -17.8432 -17.8421 -17.8421 -10.7309 -10.7309 -10.7302 -10.7302 -10.6267 -10.6267 -10.6243 -10.6243 0.0042 0.0042 0.0597 0.0597 0.1620 0.1620 0.2835 0.2835 0.6810 0.6810 0.8834 0.8834 0.9400 0.9400 1.0773 1.0773 1.5130 1.5130 1.5612 1.5612 1.8477 1.8477 1.9124 1.9124 7.2285 7.2285 7.2287 7.2287 7.9729 7.9729 7.9919 7.9919 8.1906 8.1906 k = 0.3378-0.0000 0.3160 ( 7904 PWs) bands (ev): -36.9478 -36.9478 -36.9478 -36.9478 -18.2338 -18.2338 -18.2256 -18.2256 -17.8699 -17.8699 -17.8593 -17.8593 -17.8430 -17.8430 -17.8417 -17.8417 -10.7244 -10.7244 -10.7238 -10.7238 -10.6286 -10.6286 -10.6262 -10.6262 -0.0169 -0.0169 0.0422 0.0422 0.1602 0.1602 0.2895 0.2895 0.6797 0.6797 0.8810 0.8810 0.9372 0.9372 1.0691 1.0691 1.5211 1.5211 1.5677 1.5677 1.8357 1.8357 1.8991 1.8991 7.1954 7.1954 7.1957 7.1957 7.9922 7.9922 8.0124 8.0124 8.2099 8.2099 k = 0.3514-0.0000 0.3160 ( 7900 PWs) bands (ev): -36.9478 -36.9478 -36.9478 -36.9478 -18.2344 -18.2344 -18.2260 -18.2260 -17.8711 -17.8711 -17.8602 -17.8602 -17.8427 -17.8427 -17.8414 -17.8414 -10.7182 -10.7182 -10.7175 -10.7175 -10.6306 -10.6306 -10.6282 -10.6282 -0.0390 -0.0390 0.0193 0.0193 0.1652 0.1652 0.2972 0.2972 0.6797 0.6797 0.8776 0.8776 0.9360 0.9360 1.0604 1.0604 1.5293 1.5293 1.5747 1.5747 1.8235 1.8235 1.8856 1.8856 7.1642 7.1642 7.1645 7.1645 8.0080 8.0080 8.0288 8.0288 8.2311 8.2311 k = 0.3649-0.0000 0.3160 ( 7896 PWs) bands (ev): -36.9477 -36.9477 -36.9477 -36.9477 -18.2349 -18.2349 -18.2263 -18.2263 -17.8723 -17.8723 -17.8610 -17.8610 -17.8424 -17.8424 -17.8410 -17.8410 -10.7121 -10.7121 -10.7115 -10.7115 -10.6326 -10.6326 -10.6301 -10.6301 -0.0609 -0.0609 -0.0051 -0.0051 0.1732 0.1732 0.3057 0.3057 0.6810 0.6810 0.8729 0.8729 0.9364 0.9364 1.0515 1.0515 1.5376 1.5376 1.5819 1.5819 1.8111 1.8111 1.8720 1.8720 7.1350 7.1350 7.1354 7.1354 8.0209 8.0209 8.0416 8.0416 8.2533 8.2533 k = 0.3784-0.0000 0.3160 ( 7904 PWs) bands (ev): -36.9477 -36.9477 -36.9477 -36.9477 -18.2354 -18.2354 -18.2266 -18.2266 -17.8734 -17.8734 -17.8618 -17.8618 -17.8422 -17.8422 -17.8406 -17.8406 -10.7064 -10.7064 -10.7057 -10.7057 -10.6347 -10.6347 -10.6321 -10.6321 -0.0821 -0.0821 -0.0290 -0.0290 0.1822 0.1822 0.3144 0.3144 0.6835 0.6835 0.8673 0.8673 0.9383 0.9383 1.0425 1.0425 1.5459 1.5459 1.5895 1.5895 1.7987 1.7987 1.8585 1.8585 7.1080 7.1080 7.1085 7.1085 8.0312 8.0312 8.0517 8.0517 8.2757 8.2757 k = 0.3919-0.0000 0.3160 ( 7896 PWs) bands (ev): -36.9476 -36.9476 -36.9476 -36.9476 -18.2358 -18.2358 -18.2269 -18.2269 -17.8743 -17.8743 -17.8625 -17.8625 -17.8419 -17.8419 -17.8403 -17.8403 -10.7009 -10.7009 -10.7003 -10.7003 -10.6367 -10.6367 -10.6341 -10.6341 -0.1021 -0.1021 -0.0514 -0.0514 0.1914 0.1914 0.3227 0.3227 0.6868 0.6868 0.8611 0.8611 0.9413 0.9413 1.0335 1.0335 1.5540 1.5540 1.5973 1.5973 1.7863 1.7863 1.8453 1.8453 7.0835 7.0835 7.0840 7.0840 8.0396 8.0396 8.0595 8.0595 8.2974 8.2974 k = 0.4054-0.0000 0.3160 ( 7888 PWs) bands (ev): -36.9476 -36.9476 -36.9476 -36.9476 -18.2362 -18.2362 -18.2272 -18.2272 -17.8752 -17.8752 -17.8632 -17.8632 -17.8417 -17.8417 -17.8400 -17.8400 -10.6957 -10.6957 -10.6951 -10.6951 -10.6388 -10.6388 -10.6361 -10.6361 -0.1203 -0.1203 -0.0719 -0.0719 0.2001 0.2001 0.3303 0.3303 0.6909 0.6909 0.8546 0.8546 0.9450 0.9450 1.0248 1.0248 1.5619 1.5619 1.6052 1.6052 1.7742 1.7742 1.8326 1.8326 7.0614 7.0614 7.0620 7.0620 8.0463 8.0463 8.0656 8.0656 8.3178 8.3178 k = 0.4189-0.0000 0.3160 ( 7888 PWs) bands (ev): -36.9476 -36.9476 -36.9475 -36.9475 -18.2366 -18.2366 -18.2274 -18.2274 -17.8759 -17.8759 -17.8637 -17.8637 -17.8415 -17.8415 -17.8398 -17.8398 -10.6909 -10.6909 -10.6904 -10.6904 -10.6409 -10.6409 -10.6381 -10.6381 -0.1366 -0.1366 -0.0900 -0.0900 0.2082 0.2082 0.3372 0.3372 0.6954 0.6954 0.8484 0.8484 0.9489 0.9489 1.0165 1.0165 1.5695 1.5695 1.6132 1.6132 1.7624 1.7624 1.8206 1.8206 7.0420 7.0420 7.0427 7.0427 8.0517 8.0517 8.0704 8.0704 8.3361 8.3369 k = 0.4324-0.0000 0.3160 ( 7894 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2369 -18.2369 -18.2276 -18.2276 -17.8766 -17.8766 -17.8643 -17.8643 -17.8413 -17.8413 -17.8395 -17.8395 -10.6865 -10.6865 -10.6860 -10.6860 -10.6429 -10.6429 -10.6400 -10.6400 -0.1506 -0.1506 -0.1056 -0.1056 0.2153 0.2153 0.3431 0.3431 0.7001 0.7001 0.8426 0.8426 0.9527 0.9527 1.0089 1.0089 1.5766 1.5766 1.6212 1.6212 1.7511 1.7511 1.8096 1.8096 7.0254 7.0254 7.0261 7.0261 8.0559 8.0559 8.0741 8.0741 8.3519 8.3520 k = 0.4459-0.0000 0.3160 ( 7896 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2372 -18.2372 -18.2278 -18.2278 -17.8771 -17.8771 -17.8647 -17.8647 -17.8411 -17.8411 -17.8394 -17.8394 -10.6826 -10.6826 -10.6822 -10.6822 -10.6449 -10.6449 -10.6419 -10.6419 -0.1624 -0.1624 -0.1185 -0.1185 0.2214 0.2214 0.3479 0.3479 0.7045 0.7045 0.8375 0.8375 0.9563 0.9563 1.0022 1.0022 1.5829 1.5829 1.6289 1.6289 1.7406 1.7406 1.7998 1.7998 7.0117 7.0117 7.0124 7.0124 8.0592 8.0592 8.0770 8.0770 8.3651 8.3651 k = 0.4595-0.0000 0.3160 ( 7884 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2374 -18.2374 -18.2279 -18.2279 -17.8775 -17.8775 -17.8650 -17.8650 -17.8410 -17.8410 -17.8392 -17.8392 -10.6792 -10.6792 -10.6789 -10.6789 -10.6468 -10.6468 -10.6436 -10.6436 -0.1716 -0.1716 -0.1287 -0.1287 0.2263 0.2263 0.3517 0.3517 0.7084 0.7084 0.8333 0.8333 0.9592 0.9592 0.9967 0.9967 1.5882 1.5882 1.6361 1.6361 1.7311 1.7311 1.7918 1.7918 7.0010 7.0010 7.0017 7.0017 8.0617 8.0617 8.0791 8.0791 8.3754 8.3754 k = 0.4730-0.0000 0.3160 ( 7882 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2375 -18.2375 -18.2280 -18.2280 -17.8779 -17.8779 -17.8652 -17.8652 -17.8409 -17.8409 -17.8391 -17.8391 -10.6766 -10.6766 -10.6764 -10.6764 -10.6483 -10.6483 -10.6450 -10.6450 -0.1782 -0.1782 -0.1360 -0.1360 0.2298 0.2298 0.3544 0.3544 0.7114 0.7114 0.8302 0.8302 0.9615 0.9615 0.9925 0.9925 1.5923 1.5923 1.6422 1.6422 1.7233 1.7233 1.7856 1.7856 6.9932 6.9932 6.9940 6.9940 8.0634 8.0634 8.0806 8.0806 8.3828 8.3828 k = 0.4865-0.0000 0.3160 ( 7866 PWs) bands (ev): -36.9475 -36.9475 -36.9474 -36.9474 -18.2376 -18.2376 -18.2281 -18.2281 -17.8780 -17.8780 -17.8653 -17.8653 -17.8408 -17.8408 -17.8390 -17.8390 -10.6748 -10.6748 -10.6748 -10.6748 -10.6494 -10.6494 -10.6460 -10.6460 -0.1823 -0.1823 -0.1404 -0.1404 0.2320 0.2320 0.3560 0.3560 0.7134 0.7134 0.8283 0.8283 0.9629 0.9629 0.9900 0.9900 1.5949 1.5949 1.6466 1.6466 1.7180 1.7180 1.7818 1.7818 6.9886 6.9886 6.9894 6.9894 8.0644 8.0644 8.0815 8.0815 8.3873 8.3873 k = 0.5000-0.0000 0.3160 ( 7868 PWs) bands (ev): -36.9475 -36.9475 -36.9474 -36.9474 -18.2376 -18.2376 -18.2281 -18.2281 -17.8781 -17.8781 -17.8654 -17.8654 -17.8408 -17.8408 -17.8390 -17.8390 -10.6742 -10.6742 -10.6742 -10.6742 -10.6498 -10.6498 -10.6464 -10.6464 -0.1836 -0.1836 -0.1418 -0.1418 0.2327 0.2327 0.3566 0.3566 0.7140 0.7140 0.8276 0.8276 0.9634 0.9634 0.9891 0.9891 1.5958 1.5958 1.6482 1.6482 1.7161 1.7161 1.7805 1.7805 6.9870 6.9870 6.9878 6.9878 8.0648 8.0648 8.0817 8.0817 8.3888 8.3888 k = 0.5000-0.0000 0.3160 ( 7868 PWs) bands (ev): -36.9475 -36.9475 -36.9474 -36.9474 -18.2376 -18.2376 -18.2281 -18.2281 -17.8781 -17.8781 -17.8654 -17.8654 -17.8408 -17.8408 -17.8390 -17.8390 -10.6742 -10.6742 -10.6742 -10.6742 -10.6498 -10.6498 -10.6464 -10.6464 -0.1836 -0.1836 -0.1418 -0.1418 0.2327 0.2327 0.3566 0.3566 0.7140 0.7140 0.8276 0.8276 0.9634 0.9634 0.9891 0.9891 1.5958 1.5958 1.6482 1.6482 1.7161 1.7161 1.7805 1.7805 6.9870 6.9870 6.9878 6.9878 8.0648 8.0648 8.0817 8.0817 8.3888 8.3888 k = 0.5000 0.0137 0.3160 ( 7876 PWs) bands (ev): -36.9475 -36.9475 -36.9474 -36.9474 -18.2376 -18.2376 -18.2281 -18.2281 -17.8781 -17.8781 -17.8654 -17.8654 -17.8408 -17.8408 -17.8390 -17.8390 -10.6742 -10.6742 -10.6742 -10.6742 -10.6498 -10.6498 -10.6464 -10.6464 -0.1848 -0.1848 -0.1432 -0.1432 0.2326 0.2326 0.3567 0.3567 0.7127 0.7127 0.8280 0.8280 0.9639 0.9639 0.9910 0.9910 1.5960 1.5960 1.6483 1.6483 1.7174 1.7174 1.7818 1.7818 6.9883 6.9883 6.9891 6.9891 8.0638 8.0638 8.0807 8.0807 8.3884 8.3885 k = 0.5000 0.0275 0.3160 ( 7876 PWs) bands (ev): -36.9475 -36.9475 -36.9474 -36.9474 -18.2376 -18.2376 -18.2281 -18.2281 -17.8780 -17.8780 -17.8654 -17.8654 -17.8408 -17.8408 -17.8390 -17.8390 -10.6742 -10.6742 -10.6741 -10.6741 -10.6498 -10.6498 -10.6464 -10.6464 -0.1883 -0.1883 -0.1472 -0.1472 0.2322 0.2322 0.3569 0.3569 0.7091 0.7091 0.8292 0.8292 0.9653 0.9653 0.9965 0.9965 1.5967 1.5967 1.6488 1.6488 1.7211 1.7211 1.7856 1.7856 6.9922 6.9922 6.9930 6.9930 8.0609 8.0609 8.0776 8.0776 8.3873 8.3873 k = 0.5000 0.0412 0.3160 ( 7896 PWs) bands (ev): -36.9475 -36.9475 -36.9474 -36.9474 -18.2376 -18.2376 -18.2282 -18.2282 -17.8779 -17.8779 -17.8654 -17.8654 -17.8409 -17.8409 -17.8391 -17.8391 -10.6741 -10.6741 -10.6741 -10.6741 -10.6498 -10.6498 -10.6464 -10.6464 -0.1940 -0.1940 -0.1536 -0.1536 0.2314 0.2314 0.3567 0.3567 0.7042 0.7042 0.8314 0.8314 0.9675 0.9675 1.0049 1.0049 1.5980 1.5980 1.6499 1.6499 1.7272 1.7272 1.7918 1.7918 6.9986 6.9986 6.9995 6.9995 8.0560 8.0560 8.0726 8.0726 8.3856 8.3856 k = 0.5000 0.0550 0.3160 ( 7908 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2375 -18.2375 -18.2283 -18.2283 -17.8778 -17.8778 -17.8655 -17.8655 -17.8410 -17.8410 -17.8392 -17.8392 -10.6740 -10.6740 -10.6740 -10.6740 -10.6499 -10.6499 -10.6465 -10.6465 -0.2015 -0.2015 -0.1621 -0.1621 0.2298 0.2298 0.3556 0.3556 0.6991 0.6991 0.8348 0.8348 0.9703 0.9703 1.0153 1.0153 1.5999 1.5999 1.6517 1.6517 1.7352 1.7352 1.8000 1.8000 7.0075 7.0075 7.0086 7.0086 8.0494 8.0494 8.0656 8.0656 8.3831 8.3831 k = 0.5000 0.0687 0.3160 ( 7912 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2374 -18.2374 -18.2284 -18.2284 -17.8777 -17.8777 -17.8655 -17.8655 -17.8411 -17.8411 -17.8393 -17.8393 -10.6739 -10.6739 -10.6739 -10.6739 -10.6499 -10.6499 -10.6466 -10.6466 -0.2107 -0.2107 -0.1724 -0.1724 0.2273 0.2273 0.3530 0.3530 0.6950 0.6950 0.8397 0.8397 0.9734 0.9734 1.0269 1.0269 1.6025 1.6025 1.6545 1.6545 1.7448 1.7448 1.8102 1.8102 7.0190 7.0190 7.0202 7.0202 8.0410 8.0410 8.0567 8.0567 8.3800 8.3800 k = 0.5000 0.0824 0.3160 ( 7924 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2373 -18.2373 -18.2285 -18.2285 -17.8775 -17.8775 -17.8656 -17.8656 -17.8412 -17.8412 -17.8394 -17.8394 -10.6738 -10.6738 -10.6738 -10.6738 -10.6499 -10.6499 -10.6467 -10.6467 -0.2211 -0.2211 -0.1842 -0.1842 0.2237 0.2237 0.3481 0.3481 0.6931 0.6931 0.8462 0.8462 0.9766 0.9766 1.0391 1.0391 1.6060 1.6060 1.6582 1.6582 1.7559 1.7559 1.8218 1.8218 7.0330 7.0330 7.0343 7.0343 8.0308 8.0308 8.0461 8.0461 8.3762 8.3762 k = 0.5000 0.0962 0.3160 ( 7920 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2372 -18.2372 -18.2286 -18.2286 -17.8772 -17.8772 -17.8657 -17.8657 -17.8412 -17.8412 -17.8395 -17.8395 -10.6737 -10.6737 -10.6736 -10.6736 -10.6499 -10.6499 -10.6468 -10.6468 -0.2324 -0.2324 -0.1969 -0.1969 0.2187 0.2187 0.3406 0.3406 0.6940 0.6940 0.8543 0.8543 0.9798 0.9798 1.0512 1.0512 1.6103 1.6103 1.6630 1.6630 1.7680 1.7680 1.8345 1.8345 7.0494 7.0494 7.0509 7.0509 8.0192 8.0192 8.0339 8.0339 8.3719 8.3719 k = 0.5000 0.1099 0.3160 ( 7912 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2370 -18.2370 -18.2287 -18.2287 -17.8770 -17.8770 -17.8658 -17.8658 -17.8413 -17.8413 -17.8396 -17.8396 -10.6735 -10.6735 -10.6735 -10.6735 -10.6500 -10.6500 -10.6469 -10.6469 -0.2443 -0.2443 -0.2103 -0.2103 0.2125 0.2125 0.3304 0.3304 0.6980 0.6980 0.8638 0.8638 0.9829 0.9829 1.0628 1.0628 1.6155 1.6155 1.6687 1.6687 1.7811 1.7811 1.8481 1.8481 7.0681 7.0681 7.0698 7.0698 8.0060 8.0060 8.0202 8.0202 8.3669 8.3669 k = 0.5000 0.1237 0.3160 ( 7912 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2368 -18.2368 -18.2289 -18.2289 -17.8767 -17.8767 -17.8659 -17.8659 -17.8414 -17.8414 -17.8397 -17.8397 -10.6734 -10.6734 -10.6733 -10.6733 -10.6500 -10.6500 -10.6470 -10.6470 -0.2565 -0.2565 -0.2241 -0.2241 0.2050 0.2050 0.3178 0.3178 0.7050 0.7050 0.8746 0.8746 0.9861 0.9861 1.0736 1.0736 1.6216 1.6216 1.6754 1.6754 1.7948 1.7948 1.8621 1.8621 7.0892 7.0892 7.0912 7.0912 7.9915 7.9915 8.0050 8.0050 8.3614 8.3614 k = 0.5000 0.1374 0.3160 ( 7924 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2366 -18.2366 -18.2291 -18.2291 -17.8764 -17.8764 -17.8660 -17.8660 -17.8416 -17.8416 -17.8398 -17.8398 -10.6732 -10.6732 -10.6731 -10.6731 -10.6500 -10.6500 -10.6471 -10.6471 -0.2687 -0.2687 -0.2380 -0.2380 0.1966 0.1966 0.3030 0.3030 0.7145 0.7145 0.8859 0.8859 0.9894 0.9894 1.0836 1.0836 1.6285 1.6285 1.6827 1.6827 1.8089 1.8089 1.8762 1.8762 7.1125 7.1125 7.1147 7.1147 7.9756 7.9756 7.9885 7.9885 8.3553 8.3554 k = 0.5000 0.1511 0.3160 ( 7928 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2364 -18.2364 -18.2292 -18.2292 -17.8760 -17.8760 -17.8662 -17.8662 -17.8417 -17.8417 -17.8400 -17.8400 -10.6730 -10.6730 -10.6729 -10.6729 -10.6500 -10.6500 -10.6473 -10.6473 -0.2806 -0.2806 -0.2517 -0.2517 0.1873 0.1873 0.2867 0.2867 0.7262 0.7262 0.8973 0.8973 0.9933 0.9933 1.0926 1.0926 1.6362 1.6362 1.6906 1.6906 1.8233 1.8233 1.8902 1.8902 7.1380 7.1380 7.1405 7.1405 7.9584 7.9584 7.9707 7.9707 8.3488 8.3489 k = 0.5000 0.1649 0.3160 ( 7936 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2362 -18.2362 -18.2294 -18.2294 -17.8756 -17.8756 -17.8663 -17.8663 -17.8418 -17.8418 -17.8402 -17.8402 -10.6728 -10.6728 -10.6727 -10.6727 -10.6501 -10.6501 -10.6475 -10.6475 -0.2922 -0.2922 -0.2650 -0.2650 0.1776 0.1776 0.2694 0.2694 0.7393 0.7393 0.9077 0.9077 0.9983 0.9983 1.1006 1.1006 1.6445 1.6445 1.6988 1.6988 1.8377 1.8377 1.9037 1.9037 7.1655 7.1655 7.1683 7.1683 7.9400 7.9400 7.9516 7.9516 8.3419 8.3433 k = 0.5000 0.1786 0.3160 ( 7948 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2360 -18.2360 -18.2297 -18.2297 -17.8752 -17.8752 -17.8665 -17.8665 -17.8419 -17.8419 -17.8404 -17.8404 -10.6726 -10.6726 -10.6725 -10.6725 -10.6501 -10.6501 -10.6476 -10.6476 -0.3031 -0.3031 -0.2779 -0.2779 0.1677 0.1677 0.2517 0.2517 0.7534 0.7534 0.9164 0.9164 1.0049 1.0049 1.1076 1.1076 1.6534 1.6534 1.7071 1.7071 1.8520 1.8520 1.9165 1.9165 7.1950 7.1950 7.1981 7.1981 7.9202 7.9202 7.9313 7.9313 8.3347 8.3347 k = 0.5000 0.1923 0.3160 ( 7944 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2357 -18.2357 -18.2299 -18.2299 -17.8748 -17.8748 -17.8667 -17.8667 -17.8420 -17.8420 -17.8405 -17.8405 -10.6725 -10.6725 -10.6723 -10.6723 -10.6501 -10.6501 -10.6478 -10.6478 -0.3134 -0.3134 -0.2901 -0.2901 0.1579 0.1579 0.2339 0.2339 0.7680 0.7680 0.9226 0.9226 1.0135 1.0135 1.1136 1.1136 1.6627 1.6627 1.7152 1.7152 1.8660 1.8660 1.9283 1.9283 7.2263 7.2263 7.2298 7.2298 7.8992 7.8992 7.9097 7.9097 8.3273 8.3276 k = 0.5000 0.2061 0.3160 ( 7936 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2354 -18.2354 -18.2301 -18.2301 -17.8744 -17.8744 -17.8670 -17.8670 -17.8421 -17.8421 -17.8407 -17.8407 -10.6723 -10.6723 -10.6721 -10.6721 -10.6501 -10.6501 -10.6480 -10.6480 -0.3228 -0.3228 -0.3015 -0.3015 0.1485 0.1485 0.2166 0.2166 0.7828 0.7828 0.9262 0.9262 1.0239 1.0239 1.1187 1.1187 1.6722 1.6722 1.7229 1.7229 1.8796 1.8796 1.9389 1.9389 7.2593 7.2593 7.2631 7.2631 7.8767 7.8767 7.8867 7.8867 8.3199 8.3212 k = 0.5000 0.2198 0.3160 ( 7928 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2351 -18.2351 -18.2304 -18.2304 -17.8739 -17.8739 -17.8672 -17.8672 -17.8421 -17.8421 -17.8408 -17.8408 -10.6721 -10.6721 -10.6719 -10.6719 -10.6501 -10.6501 -10.6482 -10.6482 -0.3312 -0.3312 -0.3121 -0.3121 0.1397 0.1397 0.1999 0.1999 0.7973 0.7973 0.9274 0.9274 1.0357 1.0357 1.1228 1.1228 1.6819 1.6819 1.7299 1.7299 1.8926 1.8926 1.9481 1.9481 7.2937 7.2937 7.2979 7.2979 7.8525 7.8525 7.8621 7.8621 8.3127 8.3128 k = 0.5000 0.2336 0.3160 ( 7932 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2349 -18.2349 -18.2306 -18.2306 -17.8735 -17.8735 -17.8675 -17.8675 -17.8422 -17.8422 -17.8410 -17.8410 -10.6719 -10.6719 -10.6718 -10.6718 -10.6500 -10.6500 -10.6484 -10.6484 -0.3387 -0.3387 -0.3217 -0.3217 0.1318 0.1318 0.1842 0.1842 0.8114 0.8114 0.9267 0.9267 1.0481 1.0481 1.1260 1.1260 1.6916 1.6916 1.7361 1.7361 1.9050 1.9050 1.9559 1.9559 7.3295 7.3295 7.3341 7.3341 7.8267 7.8267 7.8358 7.8358 8.3059 8.3060 k = 0.5000 0.2473 0.3160 ( 7912 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2345 -18.2345 -18.2309 -18.2309 -17.8730 -17.8730 -17.8678 -17.8678 -17.8422 -17.8422 -17.8412 -17.8412 -10.6718 -10.6718 -10.6716 -10.6716 -10.6500 -10.6500 -10.6485 -10.6485 -0.3451 -0.3451 -0.3303 -0.3303 0.1251 0.1251 0.1698 0.1698 0.8249 0.8249 0.9244 0.9244 1.0607 1.0607 1.1282 1.1282 1.7010 1.7010 1.7413 1.7413 1.9166 1.9166 1.9621 1.9621 7.3664 7.3664 7.3714 7.3714 7.7991 7.7991 7.8078 7.8078 8.2997 8.2999 k = 0.5000 0.2610 0.3160 ( 7924 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2342 -18.2342 -18.2312 -18.2312 -17.8725 -17.8725 -17.8681 -17.8681 -17.8422 -17.8422 -17.8413 -17.8413 -10.6716 -10.6716 -10.6715 -10.6715 -10.6500 -10.6500 -10.6487 -10.6487 -0.3503 -0.3503 -0.3379 -0.3379 0.1196 0.1196 0.1567 0.1567 0.8376 0.8376 0.9208 0.9208 1.0728 1.0728 1.1294 1.1294 1.7100 1.7100 1.7452 1.7452 1.9273 1.9273 1.9667 1.9667 7.4041 7.4041 7.4095 7.4095 7.7696 7.7696 7.7780 7.7780 8.2941 8.2945 k = 0.5000 0.2748 0.3160 ( 7908 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2339 -18.2339 -18.2315 -18.2315 -17.8720 -17.8720 -17.8685 -17.8685 -17.8422 -17.8422 -17.8415 -17.8415 -10.6715 -10.6715 -10.6714 -10.6714 -10.6499 -10.6499 -10.6489 -10.6489 -0.3544 -0.3544 -0.3444 -0.3444 0.1156 0.1156 0.1451 0.1451 0.8496 0.8496 0.9162 0.9162 1.0841 1.0841 1.1294 1.1294 1.7186 1.7186 1.7478 1.7478 1.9370 1.9370 1.9695 1.9695 7.4425 7.4425 7.4483 7.4483 7.7383 7.7383 7.7464 7.7464 8.2897 8.2898 k = 0.5000 0.2885 0.3160 ( 7908 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2336 -18.2336 -18.2317 -18.2317 -17.8715 -17.8715 -17.8689 -17.8689 -17.8421 -17.8421 -17.8416 -17.8416 -10.6714 -10.6714 -10.6713 -10.6713 -10.6498 -10.6498 -10.6491 -10.6491 -0.3573 -0.3573 -0.3498 -0.3498 0.1131 0.1131 0.1352 0.1352 0.8608 0.8608 0.9107 0.9107 1.0943 1.0943 1.1283 1.1283 1.7263 1.7263 1.7489 1.7489 1.9457 1.9457 1.9707 1.9707 7.4813 7.4813 7.4874 7.4874 7.7052 7.7052 7.7130 7.7130 8.2858 8.2859 k = 0.5000 0.3023 0.3160 ( 7896 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2333 -18.2333 -18.2320 -18.2320 -17.8711 -17.8711 -17.8693 -17.8693 -17.8421 -17.8421 -17.8417 -17.8417 -10.6713 -10.6713 -10.6713 -10.6713 -10.6497 -10.6497 -10.6492 -10.6492 -0.3590 -0.3590 -0.3540 -0.3540 0.1123 0.1123 0.1270 0.1270 0.8711 0.8711 0.9044 0.9044 1.1034 1.1034 1.1260 1.1260 1.7332 1.7332 1.7486 1.7486 1.9533 1.9533 1.9702 1.9702 7.5201 7.5201 7.5265 7.5265 7.6705 7.6705 7.6781 7.6781 8.2831 8.2831 k = 0.5000 0.3160 0.3160 ( 7888 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2330 -18.2330 -18.2323 -18.2323 -17.8706 -17.8706 -17.8697 -17.8697 -17.8420 -17.8420 -17.8418 -17.8418 -10.6713 -10.6713 -10.6713 -10.6713 -10.6496 -10.6496 -10.6494 -10.6494 -0.3596 -0.3596 -0.3570 -0.3570 0.1133 0.1133 0.1207 0.1207 0.8806 0.8806 0.8972 0.8972 1.1111 1.1111 1.1224 1.1224 1.7390 1.7390 1.7468 1.7468 1.9596 1.9596 1.9682 1.9682 7.5586 7.5586 7.5653 7.5653 7.6346 7.6346 7.6419 7.6419 8.2815 8.2815 k = 0.5000 0.3297 0.3160 ( 7896 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2327 -18.2327 -18.2327 -18.2327 -17.8701 -17.8701 -17.8701 -17.8701 -17.8420 -17.8420 -17.8419 -17.8419 -10.6713 -10.6713 -10.6713 -10.6713 -10.6495 -10.6495 -10.6495 -10.6495 -0.3589 -0.3589 -0.3589 -0.3589 0.1161 0.1161 0.1161 0.1161 0.8893 0.8893 0.8893 0.8893 1.1174 1.1174 1.1174 1.1174 1.7435 1.7435 1.7435 1.7435 1.9646 1.9646 1.9646 1.9646 7.5945 7.5945 7.5945 7.5945 7.6066 7.6066 7.6066 7.6066 8.2810 8.2810 k = 0.5000 0.3297 0.3160 ( 7896 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2327 -18.2327 -18.2327 -18.2327 -17.8701 -17.8701 -17.8701 -17.8701 -17.8420 -17.8420 -17.8419 -17.8419 -10.6713 -10.6713 -10.6713 -10.6713 -10.6495 -10.6495 -10.6495 -10.6495 -0.3589 -0.3589 -0.3589 -0.3589 0.1161 0.1161 0.1161 0.1161 0.8893 0.8893 0.8893 0.8893 1.1174 1.1174 1.1174 1.1174 1.7435 1.7435 1.7435 1.7435 1.9646 1.9646 1.9646 1.9646 7.5945 7.5945 7.5945 7.5945 7.6066 7.6066 7.6066 7.6066 8.2810 8.2810 k = 0.4865 0.3297 0.3160 ( 7900 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2326 -18.2326 -18.2326 -18.2326 -17.8701 -17.8701 -17.8701 -17.8701 -17.8420 -17.8420 -17.8420 -17.8420 -10.6715 -10.6715 -10.6715 -10.6715 -10.6494 -10.6494 -10.6494 -10.6494 -0.3582 -0.3582 -0.3582 -0.3582 0.1166 0.1166 0.1166 0.1166 0.8895 0.8895 0.8895 0.8895 1.1180 1.1180 1.1180 1.1180 1.7431 1.7431 1.7431 1.7431 1.9640 1.9640 1.9640 1.9640 7.5951 7.5951 7.5951 7.5951 7.6067 7.6067 7.6067 7.6067 8.2735 8.2735 k = 0.4730 0.3297 0.3160 ( 7900 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2326 -18.2326 -18.2326 -18.2326 -17.8699 -17.8699 -17.8699 -17.8699 -17.8420 -17.8420 -17.8420 -17.8420 -10.6724 -10.6724 -10.6724 -10.6724 -10.6493 -10.6493 -10.6493 -10.6493 -0.3563 -0.3563 -0.3563 -0.3563 0.1182 0.1182 0.1182 0.1182 0.8899 0.8899 0.8899 0.8899 1.1199 1.1199 1.1199 1.1199 1.7419 1.7419 1.7419 1.7419 1.9621 1.9621 1.9621 1.9621 7.5969 7.5969 7.5969 7.5969 7.6076 7.6076 7.6076 7.6076 8.2529 8.2529 k = 0.4595 0.3297 0.3160 ( 7908 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2325 -18.2325 -18.2325 -18.2325 -17.8697 -17.8697 -17.8697 -17.8697 -17.8421 -17.8421 -17.8421 -17.8421 -10.6737 -10.6737 -10.6737 -10.6737 -10.6491 -10.6491 -10.6491 -10.6491 -0.3531 -0.3531 -0.3531 -0.3531 0.1208 0.1208 0.1208 0.1208 0.8908 0.8908 0.8908 0.8908 1.1231 1.1231 1.1231 1.1231 1.7398 1.7398 1.7398 1.7398 1.9590 1.9590 1.9590 1.9590 7.5986 7.5986 7.5986 7.5986 7.6100 7.6100 7.6100 7.6100 8.2231 8.2231 k = 0.4459 0.3297 0.3160 ( 7908 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2323 -18.2323 -18.2323 -18.2323 -17.8693 -17.8693 -17.8693 -17.8693 -17.8422 -17.8422 -17.8422 -17.8422 -10.6757 -10.6757 -10.6757 -10.6757 -10.6487 -10.6487 -10.6487 -10.6487 -0.3487 -0.3487 -0.3487 -0.3487 0.1245 0.1245 0.1245 0.1245 0.8920 0.8920 0.8920 0.8920 1.1275 1.1275 1.1275 1.1275 1.7369 1.7369 1.7369 1.7369 1.9547 1.9547 1.9547 1.9547 7.5994 7.5994 7.5994 7.5994 7.6150 7.6150 7.6150 7.6150 8.1877 8.1877 k = 0.4324 0.3297 0.3160 ( 7916 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2321 -18.2321 -18.2321 -18.2321 -17.8689 -17.8689 -17.8689 -17.8689 -17.8423 -17.8423 -17.8423 -17.8423 -10.6781 -10.6781 -10.6781 -10.6781 -10.6483 -10.6483 -10.6483 -10.6483 -0.3432 -0.3432 -0.3432 -0.3432 0.1293 0.1293 0.1293 0.1293 0.8936 0.8936 0.8936 0.8936 1.1331 1.1331 1.1331 1.1331 1.7332 1.7332 1.7332 1.7332 1.9492 1.9492 1.9492 1.9492 7.5992 7.5992 7.5992 7.5992 7.6224 7.6224 7.6224 7.6224 8.1490 8.1490 k = 0.4189 0.3297 0.3160 ( 7916 PWs) bands (ev): -36.9476 -36.9476 -36.9475 -36.9475 -18.2318 -18.2318 -18.2318 -18.2318 -17.8684 -17.8684 -17.8684 -17.8684 -17.8425 -17.8425 -17.8425 -17.8425 -10.6810 -10.6810 -10.6810 -10.6810 -10.6477 -10.6477 -10.6477 -10.6477 -0.3368 -0.3368 -0.3368 -0.3368 0.1352 0.1352 0.1352 0.1352 0.8957 0.8957 0.8957 0.8957 1.1399 1.1399 1.1399 1.1399 1.7288 1.7288 1.7288 1.7288 1.9425 1.9425 1.9425 1.9425 7.5986 7.5986 7.5986 7.5986 7.6317 7.6317 7.6317 7.6317 8.1088 8.1088 k = 0.4054 0.3297 0.3160 ( 7928 PWs) bands (ev): -36.9476 -36.9476 -36.9476 -36.9476 -18.2316 -18.2316 -18.2316 -18.2316 -17.8678 -17.8678 -17.8677 -17.8677 -17.8427 -17.8427 -17.8427 -17.8427 -10.6845 -10.6845 -10.6845 -10.6845 -10.6471 -10.6471 -10.6471 -10.6471 -0.3295 -0.3295 -0.3295 -0.3295 0.1422 0.1422 0.1422 0.1422 0.8984 0.8984 0.8984 0.8984 1.1479 1.1479 1.1479 1.1479 1.7236 1.7236 1.7236 1.7236 1.9347 1.9347 1.9347 1.9347 7.5978 7.5978 7.5978 7.5978 7.6422 7.6422 7.6422 7.6422 8.0682 8.0682 k = 0.3919 0.3297 0.3160 ( 7936 PWs) bands (ev): -36.9476 -36.9476 -36.9476 -36.9476 -18.2313 -18.2313 -18.2312 -18.2312 -17.8671 -17.8671 -17.8670 -17.8670 -17.8429 -17.8429 -17.8429 -17.8429 -10.6884 -10.6884 -10.6884 -10.6884 -10.6464 -10.6464 -10.6464 -10.6464 -0.3215 -0.3215 -0.3215 -0.3215 0.1503 0.1503 0.1503 0.1503 0.9018 0.9018 0.9018 0.9018 1.1569 1.1569 1.1569 1.1569 1.7176 1.7176 1.7176 1.7176 1.9259 1.9259 1.9259 1.9259 7.5969 7.5969 7.5969 7.5969 7.6535 7.6535 7.6535 7.6535 8.0281 8.0281 k = 0.3784 0.3297 0.3160 ( 7932 PWs) bands (ev): -36.9477 -36.9477 -36.9477 -36.9477 -18.2309 -18.2309 -18.2309 -18.2309 -17.8663 -17.8663 -17.8663 -17.8663 -17.8431 -17.8431 -17.8431 -17.8431 -10.6927 -10.6927 -10.6927 -10.6927 -10.6456 -10.6456 -10.6456 -10.6456 -0.3130 -0.3130 -0.3130 -0.3130 0.1597 0.1597 0.1597 0.1597 0.9060 0.9060 0.9060 0.9060 1.1669 1.1669 1.1669 1.1669 1.7110 1.7110 1.7110 1.7110 1.9161 1.9161 1.9161 1.9161 7.5961 7.5961 7.5961 7.5961 7.6649 7.6649 7.6649 7.6649 7.9897 7.9897 k = 0.3649 0.3297 0.3160 ( 7920 PWs) bands (ev): -36.9477 -36.9477 -36.9477 -36.9477 -18.2305 -18.2305 -18.2305 -18.2305 -17.8654 -17.8654 -17.8654 -17.8654 -17.8433 -17.8433 -17.8433 -17.8433 -10.6974 -10.6974 -10.6974 -10.6974 -10.6448 -10.6448 -10.6448 -10.6448 -0.3042 -0.3042 -0.3042 -0.3042 0.1702 0.1702 0.1702 0.1702 0.9111 0.9111 0.9111 0.9111 1.1779 1.1779 1.1779 1.1779 1.7036 1.7036 1.7036 1.7036 1.9054 1.9054 1.9054 1.9054 7.5955 7.5955 7.5955 7.5955 7.6750 7.6750 7.6750 7.6750 7.9541 7.9541 k = 0.3514 0.3297 0.3160 ( 7920 PWs) bands (ev): -36.9478 -36.9478 -36.9478 -36.9478 -18.2301 -18.2301 -18.2301 -18.2301 -17.8645 -17.8645 -17.8645 -17.8645 -17.8435 -17.8435 -17.8435 -17.8435 -10.7025 -10.7025 -10.7025 -10.7025 -10.6438 -10.6438 -10.6438 -10.6438 -0.2952 -0.2952 -0.2952 -0.2952 0.1819 0.1819 0.1819 0.1819 0.9172 0.9172 0.9172 0.9172 1.1896 1.1896 1.1896 1.1896 1.6957 1.6957 1.6957 1.6957 1.8938 1.8938 1.8938 1.8938 7.5951 7.5951 7.5951 7.5951 7.6820 7.6820 7.6820 7.6820 7.9232 7.9232 k = 0.3378 0.3297 0.3160 ( 7928 PWs) bands (ev): -36.9478 -36.9478 -36.9478 -36.9478 -18.2297 -18.2297 -18.2297 -18.2297 -17.8636 -17.8636 -17.8636 -17.8636 -17.8437 -17.8437 -17.8436 -17.8436 -10.7079 -10.7079 -10.7079 -10.7079 -10.6429 -10.6429 -10.6429 -10.6429 -0.2863 -0.2863 -0.2863 -0.2863 0.1949 0.1949 0.1949 0.1949 0.9245 0.9245 0.9245 0.9245 1.2019 1.2019 1.2019 1.2019 1.6872 1.6872 1.6872 1.6872 1.8815 1.8815 1.8815 1.8815 7.5951 7.5951 7.5951 7.5951 7.6832 7.6832 7.6832 7.6832 7.8998 7.8998 k = 0.3243 0.3297 0.3160 ( 7920 PWs) bands (ev): -36.9479 -36.9479 -36.9479 -36.9479 -18.2292 -18.2292 -18.2292 -18.2292 -17.8626 -17.8626 -17.8626 -17.8626 -17.8438 -17.8438 -17.8438 -17.8438 -10.7136 -10.7136 -10.7136 -10.7136 -10.6418 -10.6418 -10.6418 -10.6418 -0.2777 -0.2777 -0.2777 -0.2777 0.2091 0.2091 0.2091 0.2091 0.9330 0.9330 0.9330 0.9330 1.2148 1.2148 1.2148 1.2148 1.6782 1.6782 1.6782 1.6782 1.8686 1.8686 1.8686 1.8686 7.5954 7.5954 7.5954 7.5954 7.6758 7.6758 7.6758 7.6758 7.8868 7.8868 k = 0.3108 0.3297 0.3160 ( 7908 PWs) bands (ev): -36.9479 -36.9479 -36.9479 -36.9479 -18.2287 -18.2287 -18.2287 -18.2287 -17.8616 -17.8616 -17.8616 -17.8616 -17.8439 -17.8439 -17.8439 -17.8439 -10.7195 -10.7195 -10.7195 -10.7195 -10.6407 -10.6407 -10.6407 -10.6407 -0.2694 -0.2694 -0.2694 -0.2694 0.2246 0.2246 0.2246 0.2246 0.9429 0.9429 0.9429 0.9429 1.2279 1.2279 1.2279 1.2279 1.6688 1.6688 1.6688 1.6688 1.8551 1.8551 1.8551 1.8551 7.5963 7.5963 7.5963 7.5963 7.6587 7.6587 7.6587 7.6587 7.8850 7.8850 k = 0.2973 0.3297 0.3160 ( 7908 PWs) bands (ev): -36.9480 -36.9480 -36.9480 -36.9480 -18.2283 -18.2283 -18.2283 -18.2283 -17.8607 -17.8607 -17.8607 -17.8607 -17.8440 -17.8440 -17.8440 -17.8440 -10.7256 -10.7256 -10.7256 -10.7256 -10.6396 -10.6396 -10.6396 -10.6396 -0.2618 -0.2618 -0.2618 -0.2618 0.2413 0.2413 0.2413 0.2413 0.9541 0.9541 0.9541 0.9541 1.2411 1.2411 1.2411 1.2411 1.6590 1.6590 1.6590 1.6590 1.8413 1.8413 1.8413 1.8413 7.5973 7.5973 7.5973 7.5973 7.6338 7.6338 7.6338 7.6338 7.8927 7.8927 k = 0.2838 0.3297 0.3160 ( 7912 PWs) bands (ev): -36.9481 -36.9481 -36.9480 -36.9480 -18.2278 -18.2278 -18.2278 -18.2278 -17.8597 -17.8597 -17.8597 -17.8597 -17.8440 -17.8440 -17.8440 -17.8440 -10.7319 -10.7319 -10.7319 -10.7319 -10.6385 -10.6385 -10.6385 -10.6385 -0.2548 -0.2548 -0.2548 -0.2548 0.2592 0.2592 0.2592 0.2592 0.9667 0.9667 0.9667 0.9667 1.2542 1.2542 1.2542 1.2542 1.6491 1.6491 1.6491 1.6491 1.8272 1.8272 1.8272 1.8272 7.5950 7.5950 7.5950 7.5950 7.6076 7.6076 7.6076 7.6076 7.9069 7.9069 k = 0.2703 0.3297 0.3160 ( 7904 PWs) bands (ev): -36.9481 -36.9481 -36.9481 -36.9481 -18.2273 -18.2273 -18.2273 -18.2273 -17.8589 -17.8589 -17.8589 -17.8589 -17.8439 -17.8439 -17.8439 -17.8439 -10.7383 -10.7383 -10.7383 -10.7383 -10.6373 -10.6373 -10.6373 -10.6373 -0.2487 -0.2487 -0.2487 -0.2487 0.2784 0.2784 0.2784 0.2784 0.9805 0.9805 0.9805 0.9805 1.2669 1.2669 1.2669 1.2669 1.6392 1.6392 1.6392 1.6392 1.8130 1.8130 1.8130 1.8130 7.5670 7.5670 7.5670 7.5670 7.6047 7.6047 7.6047 7.6047 7.9254 7.9254 k = 0.2568 0.3297 0.3160 ( 7916 PWs) bands (ev): -36.9482 -36.9482 -36.9482 -36.9482 -18.2269 -18.2269 -18.2269 -18.2269 -17.8581 -17.8581 -17.8581 -17.8581 -17.8438 -17.8438 -17.8438 -17.8438 -10.7447 -10.7447 -10.7447 -10.7447 -10.6361 -10.6361 -10.6361 -10.6361 -0.2435 -0.2435 -0.2435 -0.2435 0.2987 0.2987 0.2987 0.2987 0.9955 0.9955 0.9955 0.9955 1.2789 1.2789 1.2789 1.2789 1.6294 1.6294 1.6294 1.6294 1.7988 1.7988 1.7988 1.7988 7.5321 7.5321 7.5321 7.5321 7.6079 7.6079 7.6079 7.6079 7.9463 7.9463 k = 0.2432 0.3297 0.3160 ( 7900 PWs) bands (ev): -36.9482 -36.9482 -36.9482 -36.9482 -18.2264 -18.2264 -18.2264 -18.2264 -17.8574 -17.8574 -17.8574 -17.8574 -17.8434 -17.8434 -17.8434 -17.8434 -10.7512 -10.7512 -10.7512 -10.7512 -10.6350 -10.6350 -10.6350 -10.6350 -0.2392 -0.2392 -0.2392 -0.2392 0.3202 0.3202 0.3202 0.3202 1.0115 1.0115 1.0115 1.0115 1.2899 1.2899 1.2899 1.2899 1.6202 1.6202 1.6202 1.6202 1.7848 1.7848 1.7848 1.7848 7.4961 7.4961 7.4961 7.4961 7.6123 7.6123 7.6123 7.6123 7.9689 7.9689 k = 0.2297 0.3297 0.3160 ( 7900 PWs) bands (ev): -36.9483 -36.9483 -36.9483 -36.9483 -18.2259 -18.2259 -18.2259 -18.2259 -17.8569 -17.8569 -17.8569 -17.8569 -17.8430 -17.8430 -17.8430 -17.8430 -10.7576 -10.7576 -10.7576 -10.7576 -10.6338 -10.6338 -10.6338 -10.6338 -0.2358 -0.2358 -0.2358 -0.2358 0.3428 0.3428 0.3428 0.3428 1.0281 1.0281 1.0281 1.0281 1.2997 1.2997 1.2997 1.2997 1.6118 1.6118 1.6118 1.6118 1.7710 1.7710 1.7710 1.7710 7.4597 7.4597 7.4597 7.4597 7.6177 7.6177 7.6177 7.6177 7.9921 7.9921 k = 0.2162 0.3297 0.3160 ( 7888 PWs) bands (ev): -36.9484 -36.9484 -36.9484 -36.9484 -18.2255 -18.2255 -18.2255 -18.2255 -17.8564 -17.8564 -17.8564 -17.8564 -17.8424 -17.8424 -17.8424 -17.8424 -10.7640 -10.7640 -10.7640 -10.7640 -10.6326 -10.6326 -10.6326 -10.6326 -0.2333 -0.2333 -0.2333 -0.2333 0.3664 0.3664 0.3664 0.3664 1.0449 1.0449 1.0449 1.0449 1.3079 1.3079 1.3079 1.3079 1.6047 1.6047 1.6047 1.6047 1.7577 1.7577 1.7577 1.7577 7.4235 7.4235 7.4235 7.4235 7.6239 7.6239 7.6239 7.6239 8.0156 8.0156 k = 0.2027 0.3297 0.3160 ( 7896 PWs) bands (ev): -36.9484 -36.9484 -36.9484 -36.9484 -18.2251 -18.2251 -18.2251 -18.2251 -17.8562 -17.8562 -17.8562 -17.8562 -17.8417 -17.8417 -17.8417 -17.8417 -10.7702 -10.7702 -10.7702 -10.7702 -10.6315 -10.6315 -10.6315 -10.6315 -0.2317 -0.2317 -0.2317 -0.2317 0.3911 0.3911 0.3911 0.3911 1.0613 1.0613 1.0614 1.0614 1.3143 1.3143 1.3143 1.3143 1.5993 1.5993 1.5993 1.5993 1.7449 1.7449 1.7449 1.7449 7.3877 7.3877 7.3877 7.3877 7.6310 7.6310 7.6310 7.6310 8.0388 8.0388 k = 0.1892 0.3297 0.3160 ( 7900 PWs) bands (ev): -36.9485 -36.9485 -36.9485 -36.9485 -18.2247 -18.2247 -18.2247 -18.2247 -17.8560 -17.8560 -17.8560 -17.8560 -17.8409 -17.8409 -17.8409 -17.8409 -10.7763 -10.7763 -10.7763 -10.7763 -10.6304 -10.6304 -10.6304 -10.6304 -0.2308 -0.2308 -0.2308 -0.2308 0.4166 0.4166 0.4166 0.4166 1.0769 1.0769 1.0769 1.0769 1.3189 1.3189 1.3189 1.3189 1.5958 1.5958 1.5958 1.5958 1.7327 1.7327 1.7327 1.7327 7.3524 7.3524 7.3524 7.3524 7.6389 7.6389 7.6389 7.6389 8.0613 8.0613 k = 0.1757 0.3297 0.3160 ( 7904 PWs) bands (ev): -36.9486 -36.9486 -36.9485 -36.9485 -18.2243 -18.2243 -18.2243 -18.2243 -17.8559 -17.8559 -17.8559 -17.8559 -17.8401 -17.8401 -17.8401 -17.8401 -10.7822 -10.7822 -10.7822 -10.7822 -10.6293 -10.6293 -10.6293 -10.6293 -0.2307 -0.2307 -0.2307 -0.2307 0.4429 0.4429 0.4429 0.4429 1.0905 1.0905 1.0905 1.0905 1.3220 1.3220 1.3220 1.3220 1.5945 1.5945 1.5945 1.5945 1.7212 1.7212 1.7212 1.7212 7.3180 7.3180 7.3180 7.3180 7.6476 7.6476 7.6476 7.6476 8.0826 8.0826 k = 0.1622 0.3297 0.3160 ( 7912 PWs) bands (ev): -36.9486 -36.9486 -36.9486 -36.9486 -18.2239 -18.2239 -18.2239 -18.2239 -17.8559 -17.8559 -17.8559 -17.8559 -17.8392 -17.8392 -17.8392 -17.8392 -10.7878 -10.7878 -10.7878 -10.7878 -10.6283 -10.6283 -10.6283 -10.6283 -0.2311 -0.2311 -0.2311 -0.2311 0.4700 0.4700 0.4700 0.4700 1.1014 1.1014 1.1014 1.1014 1.3242 1.3242 1.3242 1.3242 1.5955 1.5955 1.5955 1.5955 1.7104 1.7104 1.7104 1.7104 7.2846 7.2846 7.2846 7.2846 7.6569 7.6569 7.6569 7.6569 8.1022 8.1022 k = 0.1486 0.3297 0.3160 ( 7920 PWs) bands (ev): -36.9487 -36.9487 -36.9487 -36.9487 -18.2236 -18.2236 -18.2236 -18.2236 -17.8560 -17.8560 -17.8560 -17.8560 -17.8383 -17.8383 -17.8382 -17.8382 -10.7931 -10.7931 -10.7931 -10.7931 -10.6273 -10.6273 -10.6273 -10.6273 -0.2321 -0.2321 -0.2321 -0.2321 0.4977 0.4977 0.4977 0.4977 1.1086 1.1086 1.1086 1.1086 1.3264 1.3264 1.3264 1.3264 1.5985 1.5985 1.5985 1.5985 1.7004 1.7004 1.7004 1.7004 7.2524 7.2524 7.2524 7.2524 7.6668 7.6668 7.6668 7.6668 8.1194 8.1194 k = 0.1351 0.3297 0.3160 ( 7912 PWs) bands (ev): -36.9487 -36.9487 -36.9487 -36.9487 -18.2233 -18.2233 -18.2233 -18.2233 -17.8560 -17.8560 -17.8560 -17.8560 -17.8373 -17.8373 -17.8373 -17.8373 -10.7981 -10.7981 -10.7981 -10.7981 -10.6264 -10.6264 -10.6264 -10.6264 -0.2334 -0.2334 -0.2334 -0.2334 0.5259 0.5259 0.5259 0.5259 1.1110 1.1110 1.1110 1.1110 1.3293 1.3293 1.3293 1.3293 1.6032 1.6032 1.6032 1.6032 1.6913 1.6913 1.6913 1.6913 7.2217 7.2217 7.2217 7.2217 7.6770 7.6770 7.6770 7.6770 8.1328 8.1328 k = 0.1216 0.3297 0.3160 ( 7924 PWs) bands (ev): -36.9488 -36.9488 -36.9487 -36.9487 -18.2230 -18.2230 -18.2230 -18.2230 -17.8562 -17.8562 -17.8562 -17.8562 -17.8365 -17.8365 -17.8365 -17.8365 -10.8027 -10.8027 -10.8027 -10.8027 -10.6256 -10.6256 -10.6256 -10.6256 -0.2349 -0.2349 -0.2349 -0.2349 0.5544 0.5544 0.5544 0.5544 1.1085 1.1085 1.1085 1.1085 1.3336 1.3336 1.3336 1.3336 1.6092 1.6092 1.6092 1.6092 1.6831 1.6831 1.6831 1.6831 7.1926 7.1926 7.1926 7.1926 7.6874 7.6874 7.6874 7.6874 8.1409 8.1409 k = 0.1081 0.3297 0.3160 ( 7928 PWs) bands (ev): -36.9488 -36.9488 -36.9488 -36.9488 -18.2228 -18.2228 -18.2228 -18.2228 -17.8563 -17.8563 -17.8563 -17.8563 -17.8356 -17.8356 -17.8356 -17.8356 -10.8069 -10.8069 -10.8069 -10.8069 -10.6248 -10.6248 -10.6248 -10.6248 -0.2367 -0.2367 -0.2367 -0.2367 0.5830 0.5830 0.5830 0.5830 1.1010 1.1010 1.1010 1.1010 1.3395 1.3395 1.3395 1.3395 1.6158 1.6158 1.6159 1.6159 1.6760 1.6760 1.6760 1.6760 7.1654 7.1654 7.1654 7.1654 7.6976 7.6976 7.6976 7.6976 8.1414 8.1414 k = 0.0946 0.3297 0.3160 ( 7936 PWs) bands (ev): -36.9488 -36.9488 -36.9488 -36.9488 -18.2226 -18.2226 -18.2226 -18.2226 -17.8564 -17.8564 -17.8564 -17.8564 -17.8349 -17.8349 -17.8348 -17.8348 -10.8107 -10.8107 -10.8107 -10.8107 -10.6241 -10.6241 -10.6241 -10.6241 -0.2384 -0.2384 -0.2384 -0.2384 0.6115 0.6115 0.6115 0.6115 1.0892 1.0892 1.0892 1.0892 1.3464 1.3464 1.3464 1.3464 1.6226 1.6226 1.6226 1.6226 1.6699 1.6699 1.6699 1.6699 7.1405 7.1405 7.1405 7.1405 7.7076 7.7076 7.7076 7.7076 8.1334 8.1335 k = 0.0811 0.3297 0.3160 ( 7924 PWs) bands (ev): -36.9489 -36.9489 -36.9489 -36.9489 -18.2224 -18.2224 -18.2224 -18.2224 -17.8565 -17.8565 -17.8565 -17.8565 -17.8341 -17.8341 -17.8341 -17.8341 -10.8141 -10.8141 -10.8141 -10.8141 -10.6235 -10.6235 -10.6235 -10.6235 -0.2402 -0.2402 -0.2402 -0.2402 0.6395 0.6395 0.6395 0.6395 1.0742 1.0742 1.0742 1.0742 1.3539 1.3539 1.3539 1.3539 1.6288 1.6288 1.6288 1.6288 1.6653 1.6653 1.6653 1.6653 7.1181 7.1181 7.1181 7.1181 7.7170 7.7170 7.7170 7.7170 8.1191 8.1191 k = 0.0676 0.3297 0.3160 ( 7936 PWs) bands (ev): -36.9489 -36.9489 -36.9489 -36.9489 -18.2222 -18.2222 -18.2222 -18.2222 -17.8567 -17.8567 -17.8567 -17.8567 -17.8336 -17.8336 -17.8335 -17.8335 -10.8169 -10.8169 -10.8169 -10.8169 -10.6230 -10.6230 -10.6230 -10.6230 -0.2418 -0.2418 -0.2418 -0.2418 0.6664 0.6664 0.6664 0.6664 1.0571 1.0571 1.0571 1.0571 1.3612 1.3612 1.3612 1.3612 1.6337 1.6337 1.6337 1.6337 1.6625 1.6625 1.6625 1.6625 7.0985 7.0985 7.0985 7.0985 7.7255 7.7255 7.7255 7.7255 8.1023 8.1023 k = 0.0541 0.3297 0.3160 ( 7932 PWs) bands (ev): -36.9489 -36.9489 -36.9489 -36.9489 -18.2221 -18.2221 -18.2221 -18.2221 -17.8568 -17.8568 -17.8568 -17.8568 -17.8330 -17.8330 -17.8330 -17.8330 -10.8193 -10.8193 -10.8193 -10.8193 -10.6225 -10.6225 -10.6225 -10.6225 -0.2432 -0.2432 -0.2432 -0.2432 0.6917 0.6917 0.6917 0.6917 1.0392 1.0392 1.0392 1.0392 1.3679 1.3679 1.3679 1.3679 1.6365 1.6365 1.6365 1.6365 1.6618 1.6618 1.6618 1.6618 7.0820 7.0820 7.0820 7.0820 7.7329 7.7329 7.7329 7.7329 8.0860 8.0860 k = 0.0405 0.3297 0.3160 ( 7928 PWs) bands (ev): -36.9489 -36.9489 -36.9489 -36.9489 -18.2220 -18.2220 -18.2219 -18.2219 -17.8568 -17.8568 -17.8568 -17.8568 -17.8326 -17.8326 -17.8326 -17.8326 -10.8212 -10.8212 -10.8212 -10.8212 -10.6222 -10.6222 -10.6222 -10.6222 -0.2444 -0.2444 -0.2444 -0.2444 0.7142 0.7142 0.7142 0.7142 1.0220 1.0220 1.0220 1.0220 1.3735 1.3735 1.3735 1.3735 1.6374 1.6374 1.6374 1.6374 1.6629 1.6629 1.6629 1.6629 7.0689 7.0689 7.0689 7.0689 7.7389 7.7389 7.7389 7.7389 8.0721 8.0721 k = 0.0270 0.3297 0.3160 ( 7940 PWs) bands (ev): -36.9490 -36.9490 -36.9489 -36.9489 -18.2219 -18.2219 -18.2219 -18.2219 -17.8569 -17.8569 -17.8569 -17.8569 -17.8324 -17.8324 -17.8323 -17.8323 -10.8225 -10.8225 -10.8225 -10.8225 -10.6220 -10.6220 -10.6220 -10.6220 -0.2453 -0.2453 -0.2453 -0.2453 0.7325 0.7325 0.7325 0.7325 1.0073 1.0073 1.0073 1.0073 1.3777 1.3777 1.3777 1.3777 1.6372 1.6372 1.6373 1.6373 1.6647 1.6647 1.6647 1.6647 7.0593 7.0593 7.0593 7.0593 7.7434 7.7434 7.7434 7.7434 8.0617 8.0617 k = 0.0135 0.3297 0.3160 ( 7952 PWs) bands (ev): -36.9490 -36.9490 -36.9490 -36.9490 -18.2219 -18.2219 -18.2218 -18.2218 -17.8569 -17.8569 -17.8569 -17.8569 -17.8322 -17.8322 -17.8322 -17.8322 -10.8233 -10.8233 -10.8233 -10.8233 -10.6218 -10.6218 -10.6218 -10.6218 -0.2458 -0.2458 -0.2458 -0.2458 0.7447 0.7447 0.7447 0.7447 0.9971 0.9971 0.9971 0.9971 1.3803 1.3803 1.3803 1.3803 1.6369 1.6369 1.6369 1.6369 1.6661 1.6661 1.6661 1.6661 7.0535 7.0535 7.0535 7.0535 7.7461 7.7461 7.7461 7.7461 8.0553 8.0553 k = 0.0000 0.3297 0.3160 ( 7952 PWs) bands (ev): -36.9490 -36.9490 -36.9490 -36.9490 -18.2218 -18.2218 -18.2218 -18.2218 -17.8570 -17.8570 -17.8570 -17.8570 -17.8321 -17.8321 -17.8321 -17.8321 -10.8236 -10.8236 -10.8236 -10.8236 -10.6218 -10.6218 -10.6218 -10.6218 -0.2460 -0.2460 -0.2460 -0.2460 0.7490 0.7490 0.7490 0.7490 0.9935 0.9935 0.9935 0.9935 1.3812 1.3812 1.3812 1.3812 1.6367 1.6367 1.6367 1.6367 1.6666 1.6666 1.6666 1.6666 7.0515 7.0515 7.0516 7.0516 7.7470 7.7470 7.7470 7.7470 8.0531 8.0531 k = 0.0000 0.3297 0.3160 ( 7952 PWs) bands (ev): -36.9490 -36.9490 -36.9490 -36.9490 -18.2218 -18.2218 -18.2218 -18.2218 -17.8570 -17.8570 -17.8570 -17.8570 -17.8321 -17.8321 -17.8321 -17.8321 -10.8236 -10.8236 -10.8236 -10.8236 -10.6218 -10.6218 -10.6218 -10.6218 -0.2460 -0.2460 -0.2460 -0.2460 0.7490 0.7490 0.7490 0.7490 0.9935 0.9935 0.9935 0.9935 1.3812 1.3812 1.3812 1.3812 1.6367 1.6367 1.6367 1.6367 1.6666 1.6666 1.6666 1.6666 7.0515 7.0515 7.0516 7.0516 7.7470 7.7470 7.7470 7.7470 8.0531 8.0531 k = 0.0000 0.3160 0.3160 ( 7944 PWs) bands (ev): -36.9490 -36.9490 -36.9490 -36.9490 -18.2218 -18.2218 -18.2218 -18.2218 -17.8569 -17.8569 -17.8569 -17.8569 -17.8321 -17.8321 -17.8321 -17.8321 -10.8237 -10.8237 -10.8237 -10.8237 -10.6216 -10.6216 -10.6216 -10.6216 -0.2455 -0.2455 -0.2455 -0.2455 0.7490 0.7490 0.7490 0.7490 0.9934 0.9934 0.9934 0.9934 1.3806 1.3806 1.3806 1.3806 1.6237 1.6237 1.6237 1.6237 1.6796 1.6796 1.6797 1.6797 7.0524 7.0524 7.0524 7.0524 7.7478 7.7478 7.7478 7.7478 8.0532 8.0532 k = 0.0000 0.3023 0.3160 ( 7934 PWs) bands (ev): -36.9490 -36.9490 -36.9490 -36.9490 -18.2218 -18.2218 -18.2218 -18.2218 -17.8569 -17.8569 -17.8569 -17.8569 -17.8322 -17.8322 -17.8322 -17.8322 -10.8240 -10.8240 -10.8240 -10.8240 -10.6213 -10.6213 -10.6213 -10.6213 -0.2443 -0.2443 -0.2443 -0.2443 0.7487 0.7487 0.7487 0.7487 0.9932 0.9932 0.9932 0.9932 1.3787 1.3787 1.3788 1.3788 1.6026 1.6026 1.6026 1.6026 1.7012 1.7012 1.7012 1.7012 7.0549 7.0549 7.0549 7.0549 7.7504 7.7504 7.7504 7.7504 8.0534 8.0534 k = 0.0000 0.2885 0.3160 ( 7946 PWs) bands (ev): -36.9490 -36.9490 -36.9490 -36.9490 -18.2218 -18.2218 -18.2218 -18.2218 -17.8568 -17.8568 -17.8568 -17.8568 -17.8322 -17.8322 -17.8322 -17.8322 -10.8246 -10.8246 -10.8246 -10.8246 -10.6207 -10.6207 -10.6207 -10.6207 -0.2422 -0.2422 -0.2422 -0.2422 0.7483 0.7483 0.7483 0.7483 0.9929 0.9929 0.9929 0.9929 1.3755 1.3755 1.3755 1.3755 1.5810 1.5810 1.5810 1.5810 1.7237 1.7237 1.7237 1.7237 7.0589 7.0589 7.0589 7.0589 7.7545 7.7545 7.7545 7.7545 8.0537 8.0537 k = 0.0000 0.2748 0.3160 ( 7946 PWs) bands (ev): -36.9490 -36.9490 -36.9490 -36.9490 -18.2218 -18.2218 -18.2218 -18.2218 -17.8568 -17.8568 -17.8568 -17.8568 -17.8323 -17.8323 -17.8323 -17.8323 -10.8253 -10.8253 -10.8253 -10.8253 -10.6200 -10.6200 -10.6200 -10.6200 -0.2392 -0.2392 -0.2392 -0.2392 0.7478 0.7478 0.7478 0.7478 0.9925 0.9925 0.9925 0.9925 1.3706 1.3706 1.3706 1.3706 1.5602 1.5602 1.5602 1.5602 1.7460 1.7460 1.7460 1.7460 7.0644 7.0644 7.0644 7.0644 7.7603 7.7603 7.7603 7.7603 8.0540 8.0540 k = 0.0000 0.2610 0.3160 ( 7932 PWs) bands (ev): -36.9490 -36.9490 -36.9490 -36.9490 -18.2218 -18.2218 -18.2218 -18.2218 -17.8567 -17.8567 -17.8567 -17.8567 -17.8324 -17.8324 -17.8324 -17.8324 -10.8262 -10.8262 -10.8262 -10.8262 -10.6190 -10.6190 -10.6190 -10.6190 -0.2355 -0.2355 -0.2355 -0.2355 0.7471 0.7471 0.7471 0.7471 0.9920 0.9920 0.9920 0.9920 1.3636 1.3636 1.3636 1.3636 1.5410 1.5410 1.5411 1.5411 1.7680 1.7680 1.7680 1.7680 7.0711 7.0711 7.0711 7.0711 7.7677 7.7677 7.7677 7.7677 8.0542 8.0542 k = 0.0000 0.2473 0.3160 ( 7914 PWs) bands (ev): -36.9490 -36.9490 -36.9490 -36.9490 -18.2217 -18.2217 -18.2217 -18.2217 -17.8565 -17.8565 -17.8565 -17.8565 -17.8325 -17.8325 -17.8325 -17.8325 -10.8273 -10.8273 -10.8273 -10.8273 -10.6178 -10.6178 -10.6178 -10.6178 -0.2311 -0.2311 -0.2311 -0.2311 0.7463 0.7463 0.7463 0.7463 0.9913 0.9913 0.9913 0.9913 1.3543 1.3543 1.3543 1.3543 1.5241 1.5241 1.5241 1.5241 1.7893 1.7893 1.7893 1.7893 7.0788 7.0788 7.0788 7.0788 7.7766 7.7766 7.7766 7.7766 8.0541 8.0541 k = 0.0000 0.2336 0.3160 ( 7900 PWs) bands (ev): -36.9490 -36.9490 -36.9490 -36.9490 -18.2217 -18.2217 -18.2217 -18.2217 -17.8564 -17.8564 -17.8564 -17.8564 -17.8327 -17.8327 -17.8327 -17.8327 -10.8285 -10.8285 -10.8285 -10.8285 -10.6166 -10.6166 -10.6166 -10.6166 -0.2260 -0.2260 -0.2260 -0.2260 0.7454 0.7454 0.7454 0.7454 0.9905 0.9905 0.9905 0.9905 1.3424 1.3424 1.3424 1.3424 1.5097 1.5097 1.5097 1.5097 1.8099 1.8099 1.8099 1.8099 7.0872 7.0872 7.0872 7.0872 7.7870 7.7870 7.7870 7.7870 8.0534 8.0534 k = 0.0000 0.2198 0.3160 ( 7896 PWs) bands (ev): -36.9490 -36.9490 -36.9490 -36.9490 -18.2217 -18.2217 -18.2217 -18.2217 -17.8562 -17.8562 -17.8562 -17.8562 -17.8328 -17.8328 -17.8328 -17.8328 -10.8298 -10.8298 -10.8298 -10.8298 -10.6152 -10.6152 -10.6151 -10.6151 -0.2203 -0.2203 -0.2202 -0.2202 0.7444 0.7444 0.7444 0.7444 0.9895 0.9895 0.9895 0.9895 1.3280 1.3280 1.3280 1.3280 1.4981 1.4981 1.4981 1.4981 1.8297 1.8297 1.8297 1.8297 7.0960 7.0960 7.0960 7.0960 7.7987 7.7987 7.7987 7.7987 8.0519 8.0519 k = 0.0000 0.2061 0.3160 ( 7890 PWs) bands (ev): -36.9490 -36.9490 -36.9490 -36.9490 -18.2217 -18.2217 -18.2216 -18.2216 -17.8561 -17.8561 -17.8561 -17.8561 -17.8330 -17.8330 -17.8330 -17.8330 -10.8312 -10.8312 -10.8312 -10.8312 -10.6137 -10.6137 -10.6137 -10.6137 -0.2140 -0.2140 -0.2140 -0.2140 0.7434 0.7434 0.7434 0.7434 0.9884 0.9884 0.9884 0.9884 1.3114 1.3114 1.3114 1.3114 1.4891 1.4891 1.4891 1.4891 1.8486 1.8486 1.8486 1.8486 7.1050 7.1050 7.1050 7.1050 7.8117 7.8117 7.8117 7.8117 8.0491 8.0491 k = 0.0000 0.1923 0.3160 ( 7890 PWs) bands (ev): -36.9490 -36.9490 -36.9490 -36.9490 -18.2216 -18.2216 -18.2216 -18.2216 -17.8559 -17.8559 -17.8559 -17.8559 -17.8332 -17.8332 -17.8332 -17.8332 -10.8327 -10.8327 -10.8327 -10.8327 -10.6121 -10.6121 -10.6121 -10.6121 -0.2072 -0.2072 -0.2072 -0.2072 0.7422 0.7422 0.7422 0.7422 0.9871 0.9871 0.9871 0.9871 1.2931 1.2931 1.2931 1.2931 1.4824 1.4824 1.4824 1.4824 1.8666 1.8666 1.8666 1.8666 7.1139 7.1139 7.1139 7.1139 7.8257 7.8257 7.8257 7.8257 8.0451 8.0451 k = 0.0000 0.1786 0.3160 ( 7890 PWs) bands (ev): -36.9490 -36.9490 -36.9490 -36.9490 -18.2216 -18.2216 -18.2216 -18.2216 -17.8557 -17.8557 -17.8557 -17.8557 -17.8334 -17.8334 -17.8334 -17.8334 -10.8342 -10.8342 -10.8342 -10.8342 -10.6105 -10.6105 -10.6105 -10.6105 -0.2001 -0.2001 -0.2001 -0.2001 0.7410 0.7410 0.7410 0.7410 0.9855 0.9855 0.9855 0.9855 1.2738 1.2738 1.2738 1.2738 1.4775 1.4775 1.4775 1.4775 1.8836 1.8836 1.8836 1.8836 7.1224 7.1224 7.1224 7.1224 7.8408 7.8408 7.8408 7.8408 8.0396 8.0396 k = 0.0000 0.1649 0.3160 ( 7888 PWs) bands (ev): -36.9490 -36.9490 -36.9490 -36.9490 -18.2216 -18.2216 -18.2216 -18.2216 -17.8555 -17.8555 -17.8555 -17.8555 -17.8336 -17.8336 -17.8336 -17.8336 -10.8357 -10.8357 -10.8357 -10.8357 -10.6089 -10.6089 -10.6089 -10.6089 -0.1927 -0.1927 -0.1927 -0.1927 0.7398 0.7398 0.7398 0.7398 0.9838 0.9838 0.9838 0.9838 1.2541 1.2541 1.2541 1.2541 1.4740 1.4740 1.4740 1.4740 1.8995 1.8995 1.8995 1.8995 7.1304 7.1304 7.1304 7.1304 7.8567 7.8567 7.8567 7.8567 8.0330 8.0330 k = 0.0000 0.1511 0.3160 ( 7896 PWs) bands (ev): -36.9490 -36.9490 -36.9490 -36.9490 -18.2216 -18.2216 -18.2216 -18.2216 -17.8553 -17.8553 -17.8553 -17.8553 -17.8338 -17.8338 -17.8338 -17.8338 -10.8371 -10.8371 -10.8371 -10.8371 -10.6073 -10.6073 -10.6073 -10.6073 -0.1851 -0.1851 -0.1851 -0.1851 0.7386 0.7386 0.7386 0.7386 0.9818 0.9818 0.9818 0.9818 1.2346 1.2346 1.2346 1.2346 1.4716 1.4716 1.4716 1.4716 1.9143 1.9143 1.9143 1.9143 7.1376 7.1376 7.1376 7.1376 7.8731 7.8731 7.8731 7.8731 8.0253 8.0253 k = 0.0000 0.1374 0.3160 ( 7892 PWs) bands (ev): -36.9490 -36.9490 -36.9490 -36.9490 -18.2215 -18.2215 -18.2215 -18.2215 -17.8552 -17.8552 -17.8551 -17.8551 -17.8341 -17.8341 -17.8340 -17.8340 -10.8386 -10.8386 -10.8386 -10.8386 -10.6058 -10.6058 -10.6058 -10.6058 -0.1775 -0.1775 -0.1775 -0.1775 0.7374 0.7374 0.7374 0.7374 0.9797 0.9797 0.9797 0.9797 1.2157 1.2157 1.2157 1.2157 1.4699 1.4699 1.4699 1.4699 1.9280 1.9280 1.9280 1.9280 7.1441 7.1441 7.1441 7.1441 7.8899 7.8899 7.8899 7.8899 8.0171 8.0171 k = 0.0000 0.1237 0.3160 ( 7886 PWs) bands (ev): -36.9490 -36.9490 -36.9490 -36.9490 -18.2215 -18.2215 -18.2215 -18.2215 -17.8550 -17.8550 -17.8549 -17.8549 -17.8343 -17.8343 -17.8343 -17.8343 -10.8399 -10.8399 -10.8399 -10.8399 -10.6043 -10.6043 -10.6043 -10.6043 -0.1701 -0.1701 -0.1701 -0.1701 0.7362 0.7362 0.7362 0.7362 0.9773 0.9773 0.9773 0.9773 1.1978 1.1978 1.1978 1.1978 1.4688 1.4688 1.4688 1.4688 1.9405 1.9405 1.9405 1.9405 7.1496 7.1496 7.1497 7.1497 7.9068 7.9068 7.9068 7.9068 8.0086 8.0086 k = 0.0000 0.1099 0.3160 ( 7890 PWs) bands (ev): -36.9490 -36.9490 -36.9490 -36.9490 -18.2215 -18.2215 -18.2215 -18.2215 -17.8548 -17.8548 -17.8548 -17.8548 -17.8345 -17.8345 -17.8345 -17.8345 -10.8412 -10.8412 -10.8412 -10.8412 -10.6030 -10.6030 -10.6030 -10.6030 -0.1628 -0.1628 -0.1628 -0.1628 0.7351 0.7351 0.7351 0.7351 0.9746 0.9746 0.9746 0.9746 1.1813 1.1813 1.1813 1.1813 1.4681 1.4681 1.4681 1.4681 1.9517 1.9517 1.9517 1.9517 7.1544 7.1544 7.1544 7.1544 7.9235 7.9235 7.9235 7.9235 8.0002 8.0002 k = 0.0000 0.0962 0.3160 ( 7886 PWs) bands (ev): -36.9490 -36.9490 -36.9490 -36.9490 -18.2215 -18.2215 -18.2215 -18.2215 -17.8546 -17.8546 -17.8546 -17.8546 -17.8347 -17.8347 -17.8347 -17.8347 -10.8424 -10.8424 -10.8424 -10.8424 -10.6017 -10.6017 -10.6017 -10.6017 -0.1560 -0.1560 -0.1560 -0.1560 0.7340 0.7340 0.7340 0.7340 0.9719 0.9719 0.9719 0.9719 1.1664 1.1664 1.1664 1.1664 1.4678 1.4678 1.4678 1.4678 1.9618 1.9618 1.9618 1.9618 7.1583 7.1583 7.1583 7.1583 7.9395 7.9395 7.9395 7.9395 7.9922 7.9922 k = 0.0000 0.0824 0.3160 ( 7898 PWs) bands (ev): -36.9490 -36.9490 -36.9490 -36.9490 -18.2215 -18.2215 -18.2214 -18.2214 -17.8545 -17.8545 -17.8544 -17.8544 -17.8349 -17.8349 -17.8348 -17.8348 -10.8434 -10.8434 -10.8434 -10.8434 -10.6006 -10.6006 -10.6006 -10.6006 -0.1497 -0.1497 -0.1497 -0.1497 0.7330 0.7330 0.7330 0.7330 0.9690 0.9690 0.9690 0.9690 1.1533 1.1533 1.1533 1.1533 1.4676 1.4676 1.4676 1.4676 1.9706 1.9706 1.9706 1.9706 7.1614 7.1614 7.1614 7.1614 7.9544 7.9544 7.9544 7.9544 7.9850 7.9850 k = 0.0000 0.0687 0.3160 ( 7906 PWs) bands (ev): -36.9490 -36.9490 -36.9490 -36.9490 -18.2215 -18.2215 -18.2214 -18.2214 -17.8543 -17.8543 -17.8543 -17.8543 -17.8350 -17.8350 -17.8350 -17.8350 -10.8443 -10.8443 -10.8443 -10.8443 -10.5996 -10.5996 -10.5996 -10.5996 -0.1441 -0.1441 -0.1441 -0.1441 0.7321 0.7321 0.7321 0.7321 0.9662 0.9662 0.9662 0.9662 1.1422 1.1422 1.1422 1.1422 1.4675 1.4675 1.4675 1.4675 1.9780 1.9780 1.9780 1.9780 7.1638 7.1638 7.1638 7.1638 7.9671 7.9671 7.9671 7.9672 7.9796 7.9796 k = 0.0000 0.0550 0.3160 ( 7918 PWs) bands (ev): -36.9490 -36.9490 -36.9490 -36.9490 -18.2214 -18.2214 -18.2214 -18.2214 -17.8542 -17.8542 -17.8542 -17.8542 -17.8352 -17.8352 -17.8352 -17.8352 -10.8451 -10.8451 -10.8451 -10.8451 -10.5988 -10.5988 -10.5988 -10.5988 -0.1393 -0.1393 -0.1393 -0.1393 0.7314 0.7314 0.7314 0.7314 0.9636 0.9636 0.9636 0.9636 1.1332 1.1332 1.1332 1.1332 1.4675 1.4675 1.4675 1.4675 1.9842 1.9842 1.9842 1.9842 7.1657 7.1657 7.1657 7.1657 7.9704 7.9704 7.9704 7.9704 7.9827 7.9827 k = 0.0000 0.0412 0.3160 ( 7912 PWs) bands (ev): -36.9490 -36.9490 -36.9490 -36.9490 -18.2214 -18.2214 -18.2214 -18.2214 -17.8541 -17.8541 -17.8541 -17.8541 -17.8353 -17.8353 -17.8353 -17.8353 -10.8457 -10.8457 -10.8457 -10.8457 -10.5981 -10.5981 -10.5981 -10.5981 -0.1354 -0.1354 -0.1354 -0.1354 0.7308 0.7308 0.7308 0.7308 0.9613 0.9613 0.9613 0.9613 1.1262 1.1262 1.1262 1.1262 1.4676 1.4676 1.4676 1.4676 1.9890 1.9890 1.9890 1.9890 7.1670 7.1670 7.1670 7.1670 7.9669 7.9669 7.9669 7.9669 7.9917 7.9917 k = 0.0000 0.0275 0.3160 ( 7912 PWs) bands (ev): -36.9490 -36.9490 -36.9490 -36.9490 -18.2214 -18.2214 -18.2214 -18.2214 -17.8540 -17.8540 -17.8540 -17.8540 -17.8354 -17.8354 -17.8354 -17.8354 -10.8461 -10.8461 -10.8461 -10.8461 -10.5977 -10.5977 -10.5977 -10.5977 -0.1326 -0.1326 -0.1326 -0.1326 0.7304 0.7304 0.7304 0.7304 0.9596 0.9596 0.9596 0.9596 1.1212 1.1212 1.1212 1.1212 1.4676 1.4676 1.4676 1.4676 1.9924 1.9924 1.9924 1.9924 7.1679 7.1679 7.1679 7.1679 7.9639 7.9639 7.9639 7.9639 7.9988 7.9988 k = 0.0000 0.0137 0.3160 ( 7894 PWs) bands (ev): -36.9490 -36.9490 -36.9490 -36.9490 -18.2214 -18.2214 -18.2214 -18.2214 -17.8540 -17.8540 -17.8539 -17.8539 -17.8354 -17.8354 -17.8354 -17.8354 -10.8464 -10.8464 -10.8464 -10.8464 -10.5974 -10.5974 -10.5974 -10.5974 -0.1308 -0.1308 -0.1308 -0.1308 0.7301 0.7301 0.7301 0.7301 0.9585 0.9585 0.9585 0.9585 1.1182 1.1182 1.1182 1.1182 1.4676 1.4676 1.4676 1.4676 1.9945 1.9945 1.9945 1.9945 7.1685 7.1685 7.1685 7.1685 7.9620 7.9620 7.9620 7.9620 8.0034 8.0034 k = 0.0000 0.0000 0.3160 ( 7898 PWs) bands (ev): -36.9490 -36.9490 -36.9490 -36.9490 -18.2214 -18.2214 -18.2214 -18.2214 -17.8539 -17.8539 -17.8539 -17.8539 -17.8354 -17.8354 -17.8354 -17.8354 -10.8465 -10.8465 -10.8465 -10.8465 -10.5973 -10.5973 -10.5973 -10.5973 -0.1302 -0.1302 -0.1302 -0.1302 0.7300 0.7300 0.7300 0.7300 0.9581 0.9581 0.9581 0.9581 1.1172 1.1172 1.1172 1.1172 1.4677 1.4677 1.4677 1.4677 1.9952 1.9952 1.9952 1.9952 7.1686 7.1686 7.1686 7.1686 7.9614 7.9614 7.9614 7.9614 8.0049 8.0049 k = 0.0000 0.3297-0.0000 ( 7936 PWs) bands (ev): -36.9490 -36.9490 -36.9490 -36.9490 -18.2214 -18.2214 -18.2214 -18.2214 -17.8540 -17.8540 -17.8540 -17.8540 -17.8354 -17.8354 -17.8354 -17.8354 -10.8344 -10.8344 -10.8344 -10.8344 -10.6101 -10.6101 -10.6101 -10.6101 -0.2322 -0.2322 -0.2322 -0.2322 0.7582 0.7582 0.7582 0.7582 0.9571 0.9571 0.9571 0.9571 1.1585 1.1585 1.1585 1.1585 1.5078 1.5078 1.5078 1.5078 2.0770 2.0770 2.0770 2.0770 7.2048 7.2048 7.2048 7.2048 7.9568 7.9568 7.9568 7.9568 7.9785 7.9785 k = 0.0000 0.3297 0.0137 ( 7936 PWs) bands (ev): -36.9490 -36.9490 -36.9490 -36.9490 -18.2214 -18.2214 -18.2214 -18.2214 -17.8540 -17.8540 -17.8540 -17.8540 -17.8354 -17.8354 -17.8354 -17.8354 -10.8344 -10.8344 -10.8344 -10.8344 -10.6101 -10.6101 -10.6101 -10.6101 -0.2323 -0.2323 -0.2323 -0.2323 0.7576 0.7576 0.7576 0.7576 0.9574 0.9574 0.9574 0.9574 1.1598 1.1598 1.1598 1.1598 1.5078 1.5078 1.5078 1.5078 2.0756 2.0756 2.0756 2.0756 7.2045 7.2045 7.2045 7.2045 7.9555 7.9555 7.9555 7.9555 7.9791 7.9791 k = 0.0000 0.3297 0.0275 ( 7932 PWs) bands (ev): -36.9490 -36.9490 -36.9490 -36.9490 -18.2214 -18.2214 -18.2214 -18.2214 -17.8540 -17.8540 -17.8540 -17.8540 -17.8354 -17.8354 -17.8354 -17.8354 -10.8342 -10.8342 -10.8342 -10.8342 -10.6103 -10.6103 -10.6103 -10.6103 -0.2324 -0.2324 -0.2324 -0.2324 0.7560 0.7560 0.7560 0.7560 0.9584 0.9584 0.9584 0.9584 1.1638 1.1638 1.1638 1.1638 1.5077 1.5077 1.5077 1.5077 2.0717 2.0717 2.0717 2.0717 7.2037 7.2037 7.2037 7.2037 7.9516 7.9516 7.9517 7.9517 7.9811 7.9811 k = 0.0000 0.3297 0.0412 ( 7926 PWs) bands (ev): -36.9490 -36.9490 -36.9490 -36.9490 -18.2214 -18.2214 -18.2214 -18.2214 -17.8541 -17.8541 -17.8541 -17.8541 -17.8353 -17.8353 -17.8353 -17.8353 -10.8340 -10.8340 -10.8340 -10.8340 -10.6105 -10.6105 -10.6105 -10.6105 -0.2325 -0.2325 -0.2325 -0.2325 0.7536 0.7536 0.7536 0.7536 0.9600 0.9600 0.9600 0.9600 1.1702 1.1702 1.1702 1.1702 1.5075 1.5075 1.5075 1.5075 2.0651 2.0651 2.0651 2.0651 7.2021 7.2021 7.2022 7.2022 7.9453 7.9453 7.9453 7.9453 7.9845 7.9845 k = 0.0000 0.3297 0.0550 ( 7922 PWs) bands (ev): -36.9490 -36.9490 -36.9490 -36.9490 -18.2215 -18.2215 -18.2214 -18.2214 -17.8542 -17.8542 -17.8542 -17.8542 -17.8352 -17.8352 -17.8352 -17.8352 -10.8337 -10.8337 -10.8337 -10.8337 -10.6109 -10.6109 -10.6109 -10.6109 -0.2328 -0.2328 -0.2328 -0.2328 0.7505 0.7505 0.7506 0.7506 0.9621 0.9621 0.9621 0.9621 1.1790 1.1790 1.1790 1.1790 1.5074 1.5074 1.5074 1.5074 2.0561 2.0561 2.0561 2.0561 7.1999 7.1999 7.1999 7.1999 7.9368 7.9368 7.9368 7.9368 7.9893 7.9893 k = 0.0000 0.3297 0.0687 ( 7922 PWs) bands (ev): -36.9490 -36.9490 -36.9490 -36.9490 -18.2215 -18.2215 -18.2215 -18.2215 -17.8544 -17.8544 -17.8543 -17.8543 -17.8350 -17.8350 -17.8350 -17.8350 -10.8333 -10.8333 -10.8333 -10.8333 -10.6113 -10.6113 -10.6113 -10.6113 -0.2331 -0.2331 -0.2331 -0.2331 0.7471 0.7471 0.7471 0.7471 0.9645 0.9645 0.9645 0.9645 1.1898 1.1898 1.1898 1.1898 1.5073 1.5073 1.5073 1.5073 2.0447 2.0447 2.0447 2.0447 7.1967 7.1967 7.1967 7.1967 7.9264 7.9264 7.9264 7.9264 7.9956 7.9956 k = 0.0000 0.3297 0.0824 ( 7928 PWs) bands (ev): -36.9490 -36.9490 -36.9490 -36.9490 -18.2215 -18.2215 -18.2215 -18.2215 -17.8545 -17.8545 -17.8545 -17.8545 -17.8349 -17.8349 -17.8348 -17.8348 -10.8328 -10.8328 -10.8328 -10.8328 -10.6119 -10.6119 -10.6119 -10.6119 -0.2335 -0.2335 -0.2335 -0.2335 0.7437 0.7437 0.7437 0.7437 0.9671 0.9671 0.9671 0.9671 1.2023 1.2023 1.2023 1.2023 1.5074 1.5074 1.5074 1.5074 2.0310 2.0310 2.0310 2.0310 7.1925 7.1925 7.1925 7.1925 7.9145 7.9145 7.9145 7.9145 8.0032 8.0032 k = 0.0000 0.3297 0.0962 ( 7934 PWs) bands (ev): -36.9490 -36.9490 -36.9490 -36.9490 -18.2215 -18.2215 -18.2215 -18.2215 -17.8547 -17.8547 -17.8547 -17.8547 -17.8347 -17.8347 -17.8347 -17.8347 -10.8322 -10.8322 -10.8322 -10.8322 -10.6125 -10.6125 -10.6125 -10.6125 -0.2340 -0.2340 -0.2340 -0.2340 0.7404 0.7404 0.7404 0.7404 0.9699 0.9699 0.9699 0.9699 1.2163 1.2163 1.2163 1.2163 1.5076 1.5076 1.5076 1.5076 2.0152 2.0152 2.0152 2.0152 7.1872 7.1872 7.1872 7.1872 7.9013 7.9013 7.9013 7.9013 8.0122 8.0122 k = 0.0000 0.3297 0.1099 ( 7928 PWs) bands (ev): -36.9490 -36.9490 -36.9490 -36.9490 -18.2215 -18.2215 -18.2215 -18.2215 -17.8549 -17.8549 -17.8549 -17.8549 -17.8344 -17.8344 -17.8344 -17.8344 -10.8316 -10.8316 -10.8316 -10.8316 -10.6131 -10.6131 -10.6131 -10.6131 -0.2346 -0.2346 -0.2346 -0.2346 0.7375 0.7375 0.7375 0.7375 0.9726 0.9726 0.9726 0.9726 1.2312 1.2312 1.2312 1.2312 1.5082 1.5082 1.5082 1.5082 1.9975 1.9975 1.9975 1.9975 7.1807 7.1807 7.1807 7.1807 7.8875 7.8875 7.8875 7.8875 8.0223 8.0223 k = 0.0000 0.3297 0.1236 ( 7932 PWs) bands (ev): -36.9490 -36.9490 -36.9490 -36.9490 -18.2216 -18.2216 -18.2216 -18.2216 -17.8551 -17.8551 -17.8551 -17.8551 -17.8342 -17.8342 -17.8342 -17.8342 -10.8310 -10.8310 -10.8310 -10.8310 -10.6138 -10.6138 -10.6138 -10.6138 -0.2353 -0.2353 -0.2353 -0.2353 0.7352 0.7352 0.7352 0.7352 0.9753 0.9753 0.9753 0.9753 1.2468 1.2468 1.2468 1.2468 1.5093 1.5093 1.5093 1.5093 1.9781 1.9781 1.9781 1.9781 7.1730 7.1730 7.1730 7.1730 7.8731 7.8731 7.8731 7.8731 8.0332 8.0332 k = 0.0000 0.3297 0.1374 ( 7948 PWs) bands (ev): -36.9490 -36.9490 -36.9490 -36.9490 -18.2216 -18.2216 -18.2216 -18.2216 -17.8553 -17.8553 -17.8553 -17.8553 -17.8340 -17.8340 -17.8340 -17.8340 -10.8303 -10.8303 -10.8303 -10.8303 -10.6146 -10.6146 -10.6146 -10.6146 -0.2361 -0.2361 -0.2361 -0.2361 0.7335 0.7335 0.7335 0.7335 0.9779 0.9779 0.9779 0.9779 1.2627 1.2627 1.2627 1.2627 1.5109 1.5109 1.5109 1.5109 1.9572 1.9572 1.9572 1.9572 7.1641 7.1641 7.1641 7.1641 7.8587 7.8587 7.8587 7.8587 8.0445 8.0445 k = 0.0000 0.3297 0.1511 ( 7944 PWs) bands (ev): -36.9490 -36.9490 -36.9490 -36.9490 -18.2216 -18.2216 -18.2216 -18.2216 -17.8555 -17.8555 -17.8555 -17.8555 -17.8338 -17.8338 -17.8338 -17.8338 -10.8295 -10.8295 -10.8295 -10.8295 -10.6154 -10.6154 -10.6154 -10.6154 -0.2370 -0.2370 -0.2370 -0.2370 0.7326 0.7326 0.7326 0.7326 0.9804 0.9804 0.9804 0.9804 1.2786 1.2786 1.2786 1.2786 1.5134 1.5134 1.5134 1.5134 1.9351 1.9351 1.9351 1.9351 7.1541 7.1541 7.1541 7.1541 7.8444 7.8444 7.8444 7.8444 8.0557 8.0557 k = 0.0000 0.3297 0.1649 ( 7928 PWs) bands (ev): -36.9490 -36.9490 -36.9490 -36.9490 -18.2216 -18.2216 -18.2216 -18.2216 -17.8557 -17.8557 -17.8557 -17.8557 -17.8336 -17.8336 -17.8335 -17.8335 -10.8288 -10.8288 -10.8288 -10.8288 -10.6162 -10.6162 -10.6162 -10.6162 -0.2379 -0.2379 -0.2379 -0.2379 0.7324 0.7324 0.7324 0.7324 0.9828 0.9828 0.9828 0.9828 1.2941 1.2941 1.2941 1.2941 1.5168 1.5168 1.5168 1.5168 1.9119 1.9119 1.9119 1.9119 7.1433 7.1433 7.1433 7.1433 7.8305 7.8305 7.8305 7.8305 8.0658 8.0658 k = 0.0000 0.3297 0.1786 ( 7934 PWs) bands (ev): -36.9490 -36.9490 -36.9490 -36.9490 -18.2217 -18.2217 -18.2217 -18.2217 -17.8559 -17.8559 -17.8559 -17.8559 -17.8333 -17.8333 -17.8333 -17.8333 -10.8281 -10.8281 -10.8281 -10.8281 -10.6170 -10.6170 -10.6170 -10.6170 -0.2389 -0.2389 -0.2389 -0.2389 0.7329 0.7329 0.7329 0.7329 0.9849 0.9849 0.9849 0.9849 1.3089 1.3089 1.3089 1.3089 1.5213 1.5213 1.5213 1.5213 1.8880 1.8880 1.8880 1.8880 7.1318 7.1318 7.1318 7.1318 7.8172 7.8172 7.8172 7.8172 8.0740 8.0740 k = 0.0000 0.3297 0.1923 ( 7926 PWs) bands (ev): -36.9490 -36.9490 -36.9490 -36.9490 -18.2217 -18.2217 -18.2217 -18.2217 -17.8560 -17.8560 -17.8560 -17.8560 -17.8331 -17.8331 -17.8331 -17.8331 -10.8273 -10.8273 -10.8273 -10.8273 -10.6177 -10.6177 -10.6177 -10.6177 -0.2400 -0.2400 -0.2400 -0.2400 0.7340 0.7340 0.7340 0.7340 0.9868 0.9868 0.9868 0.9868 1.3227 1.3227 1.3227 1.3227 1.5272 1.5272 1.5272 1.5272 1.8636 1.8636 1.8636 1.8636 7.1200 7.1200 7.1200 7.1200 7.8048 7.8048 7.8048 7.8048 8.0793 8.0793 k = 0.0000 0.3297 0.2061 ( 7926 PWs) bands (ev): -36.9490 -36.9490 -36.9490 -36.9490 -18.2217 -18.2217 -18.2217 -18.2217 -17.8562 -17.8562 -17.8562 -17.8562 -17.8329 -17.8329 -17.8329 -17.8329 -10.8267 -10.8267 -10.8267 -10.8267 -10.6185 -10.6185 -10.6185 -10.6185 -0.2410 -0.2410 -0.2410 -0.2410 0.7357 0.7357 0.7357 0.7357 0.9884 0.9884 0.9884 0.9884 1.3352 1.3352 1.3352 1.3352 1.5345 1.5345 1.5345 1.5345 1.8388 1.8388 1.8388 1.8388 7.1081 7.1081 7.1081 7.1081 7.7933 7.7933 7.7933 7.7933 8.0812 8.0812 k = 0.0000 0.3297 0.2198 ( 7924 PWs) bands (ev): -36.9490 -36.9490 -36.9490 -36.9490 -18.2217 -18.2217 -18.2217 -18.2217 -17.8564 -17.8564 -17.8564 -17.8564 -17.8327 -17.8327 -17.8327 -17.8327 -10.8260 -10.8260 -10.8260 -10.8260 -10.6192 -10.6192 -10.6192 -10.6192 -0.2420 -0.2420 -0.2420 -0.2420 0.7377 0.7377 0.7377 0.7377 0.9898 0.9898 0.9898 0.9898 1.3463 1.3463 1.3463 1.3463 1.5435 1.5435 1.5435 1.5435 1.8140 1.8140 1.8140 1.8140 7.0967 7.0967 7.0967 7.0967 7.7828 7.7828 7.7828 7.7828 8.0798 8.0798 k = 0.0000 0.3297 0.2335 ( 7920 PWs) bands (ev): -36.9490 -36.9490 -36.9490 -36.9490 -18.2217 -18.2217 -18.2217 -18.2217 -17.8565 -17.8565 -17.8565 -17.8565 -17.8326 -17.8326 -17.8326 -17.8326 -10.8254 -10.8254 -10.8254 -10.8254 -10.6198 -10.6198 -10.6198 -10.6198 -0.2429 -0.2429 -0.2429 -0.2429 0.7400 0.7400 0.7400 0.7400 0.9909 0.9909 0.9909 0.9909 1.3558 1.3558 1.3558 1.3558 1.5541 1.5541 1.5541 1.5541 1.7893 1.7893 1.7893 1.7893 7.0859 7.0859 7.0859 7.0859 7.7736 7.7736 7.7736 7.7736 8.0758 8.0758 k = 0.0000 0.3297 0.2473 ( 7928 PWs) bands (ev): -36.9490 -36.9490 -36.9490 -36.9490 -18.2218 -18.2218 -18.2218 -18.2218 -17.8566 -17.8566 -17.8566 -17.8566 -17.8324 -17.8324 -17.8324 -17.8324 -10.8249 -10.8249 -10.8249 -10.8249 -10.6204 -10.6204 -10.6204 -10.6204 -0.2438 -0.2438 -0.2438 -0.2438 0.7423 0.7423 0.7423 0.7423 0.9918 0.9918 0.9918 0.9918 1.3638 1.3638 1.3638 1.3638 1.5663 1.5663 1.5663 1.5663 1.7649 1.7649 1.7649 1.7649 7.0761 7.0761 7.0761 7.0761 7.7656 7.7656 7.7656 7.7656 8.0706 8.0706 k = 0.0000 0.3297 0.2610 ( 7934 PWs) bands (ev): -36.9490 -36.9490 -36.9490 -36.9490 -18.2218 -18.2218 -18.2218 -18.2218 -17.8567 -17.8567 -17.8567 -17.8567 -17.8323 -17.8323 -17.8323 -17.8323 -10.8244 -10.8244 -10.8244 -10.8244 -10.6209 -10.6209 -10.6209 -10.6209 -0.2445 -0.2445 -0.2445 -0.2445 0.7444 0.7444 0.7444 0.7444 0.9925 0.9925 0.9925 0.9925 1.3702 1.3702 1.3702 1.3702 1.5800 1.5800 1.5800 1.5800 1.7412 1.7412 1.7412 1.7412 7.0677 7.0677 7.0677 7.0677 7.7590 7.7590 7.7590 7.7590 8.0651 8.0651 k = 0.0000 0.3297 0.2748 ( 7940 PWs) bands (ev): -36.9490 -36.9490 -36.9490 -36.9490 -18.2218 -18.2218 -18.2218 -18.2218 -17.8568 -17.8568 -17.8568 -17.8568 -17.8322 -17.8322 -17.8322 -17.8322 -10.8241 -10.8241 -10.8241 -10.8241 -10.6213 -10.6213 -10.6213 -10.6213 -0.2451 -0.2451 -0.2451 -0.2451 0.7463 0.7463 0.7463 0.7463 0.9929 0.9929 0.9929 0.9929 1.3751 1.3751 1.3751 1.3751 1.5951 1.5951 1.5951 1.5951 1.7183 1.7183 1.7183 1.7183 7.0608 7.0608 7.0608 7.0608 7.7538 7.7538 7.7538 7.7538 8.0601 8.0601 k = 0.0000 0.3297 0.2885 ( 7942 PWs) bands (ev): -36.9490 -36.9490 -36.9490 -36.9490 -18.2218 -18.2218 -18.2218 -18.2218 -17.8569 -17.8569 -17.8569 -17.8569 -17.8322 -17.8322 -17.8322 -17.8322 -10.8238 -10.8238 -10.8238 -10.8238 -10.6215 -10.6215 -10.6215 -10.6215 -0.2456 -0.2456 -0.2456 -0.2456 0.7478 0.7478 0.7478 0.7478 0.9932 0.9932 0.9932 0.9932 1.3785 1.3785 1.3785 1.3785 1.6112 1.6112 1.6112 1.6112 1.6966 1.6966 1.6966 1.6966 7.0557 7.0557 7.0557 7.0557 7.7500 7.7500 7.7500 7.7500 8.0563 8.0563 k = 0.0000 0.3297 0.3022 ( 7944 PWs) bands (ev): -36.9490 -36.9490 -36.9490 -36.9490 -18.2218 -18.2218 -18.2218 -18.2218 -17.8569 -17.8569 -17.8569 -17.8569 -17.8321 -17.8321 -17.8321 -17.8321 -10.8237 -10.8237 -10.8237 -10.8237 -10.6217 -10.6217 -10.6217 -10.6217 -0.2459 -0.2459 -0.2459 -0.2459 0.7487 0.7487 0.7487 0.7487 0.9934 0.9934 0.9934 0.9934 1.3805 1.3805 1.3805 1.3805 1.6272 1.6272 1.6272 1.6272 1.6772 1.6772 1.6772 1.6772 7.0526 7.0526 7.0526 7.0526 7.7478 7.7478 7.7478 7.7478 8.0539 8.0539 k = 0.0000 0.3297 0.3160 ( 7952 PWs) bands (ev): -36.9490 -36.9490 -36.9490 -36.9490 -18.2218 -18.2218 -18.2218 -18.2218 -17.8570 -17.8570 -17.8570 -17.8570 -17.8321 -17.8321 -17.8321 -17.8321 -10.8236 -10.8236 -10.8236 -10.8236 -10.6218 -10.6218 -10.6218 -10.6218 -0.2460 -0.2460 -0.2460 -0.2460 0.7490 0.7490 0.7490 0.7490 0.9935 0.9935 0.9935 0.9935 1.3812 1.3812 1.3812 1.3812 1.6367 1.6367 1.6367 1.6367 1.6666 1.6666 1.6666 1.6666 7.0515 7.0515 7.0516 7.0516 7.7470 7.7470 7.7470 7.7470 8.0531 8.0531 k = 0.5000-0.0000 0.3160 ( 7868 PWs) bands (ev): -36.9475 -36.9475 -36.9474 -36.9474 -18.2376 -18.2376 -18.2281 -18.2281 -17.8781 -17.8781 -17.8654 -17.8654 -17.8408 -17.8408 -17.8390 -17.8390 -10.6742 -10.6742 -10.6742 -10.6742 -10.6498 -10.6498 -10.6464 -10.6464 -0.1836 -0.1836 -0.1418 -0.1418 0.2327 0.2327 0.3566 0.3566 0.7140 0.7140 0.8276 0.8276 0.9634 0.9634 0.9891 0.9891 1.5958 1.5958 1.6482 1.6482 1.7161 1.7161 1.7805 1.7805 6.9870 6.9870 6.9878 6.9878 8.0648 8.0648 8.0817 8.0817 8.3888 8.3888 k = 0.5000-0.0000 0.3022 ( 7868 PWs) bands (ev): -36.9475 -36.9475 -36.9474 -36.9474 -18.2376 -18.2376 -18.2281 -18.2281 -17.8780 -17.8780 -17.8654 -17.8654 -17.8408 -17.8408 -17.8390 -17.8390 -10.6744 -10.6744 -10.6744 -10.6744 -10.6496 -10.6496 -10.6462 -10.6462 -0.1827 -0.1827 -0.1409 -0.1409 0.2327 0.2327 0.3560 0.3560 0.7128 0.7128 0.8296 0.8296 0.9592 0.9592 0.9932 0.9932 1.5943 1.5943 1.6481 1.6481 1.7145 1.7145 1.7801 1.7801 6.9896 6.9896 6.9905 6.9905 8.0647 8.0647 8.0817 8.0817 8.3876 8.3876 k = 0.5000-0.0000 0.2885 ( 7880 PWs) bands (ev): -36.9475 -36.9475 -36.9474 -36.9474 -18.2376 -18.2376 -18.2281 -18.2281 -17.8780 -17.8780 -17.8654 -17.8654 -17.8408 -17.8408 -17.8390 -17.8390 -10.6751 -10.6751 -10.6750 -10.6750 -10.6489 -10.6489 -10.6456 -10.6456 -0.1801 -0.1801 -0.1380 -0.1380 0.2328 0.2328 0.3543 0.3543 0.7093 0.7093 0.8351 0.8351 0.9503 0.9503 1.0017 1.0017 1.5898 1.5898 1.6477 1.6477 1.7096 1.7096 1.7791 1.7791 6.9974 6.9974 6.9985 6.9985 8.0644 8.0644 8.0815 8.0815 8.3842 8.3842 k = 0.5000-0.0000 0.2748 ( 7888 PWs) bands (ev): -36.9475 -36.9475 -36.9474 -36.9474 -18.2375 -18.2375 -18.2282 -18.2282 -17.8779 -17.8779 -17.8654 -17.8654 -17.8409 -17.8409 -17.8391 -17.8391 -10.6761 -10.6761 -10.6759 -10.6759 -10.6479 -10.6479 -10.6447 -10.6447 -0.1759 -0.1759 -0.1332 -0.1332 0.2329 0.2329 0.3516 0.3516 0.7044 0.7044 0.8435 0.8435 0.9401 0.9401 1.0113 1.0113 1.5826 1.5826 1.6471 1.6471 1.7018 1.7018 1.7772 1.7772 7.0102 7.0102 7.0116 7.0116 8.0639 8.0639 8.0813 8.0813 8.3786 8.3788 k = 0.5000-0.0000 0.2610 ( 7906 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2375 -18.2375 -18.2283 -18.2283 -17.8778 -17.8778 -17.8655 -17.8655 -17.8410 -17.8410 -17.8392 -17.8392 -10.6774 -10.6774 -10.6771 -10.6771 -10.6466 -10.6466 -10.6435 -10.6435 -0.1699 -0.1699 -0.1265 -0.1265 0.2331 0.2331 0.3477 0.3477 0.6987 0.6987 0.8538 0.8538 0.9294 0.9294 1.0209 1.0209 1.5728 1.5728 1.6461 1.6461 1.6911 1.6911 1.7745 1.7745 7.0279 7.0279 7.0298 7.0298 8.0631 8.0631 8.0808 8.0808 8.3706 8.3706 k = 0.5000-0.0000 0.2473 ( 7900 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2374 -18.2374 -18.2284 -18.2284 -17.8776 -17.8776 -17.8656 -17.8656 -17.8410 -17.8410 -17.8393 -17.8393 -10.6789 -10.6789 -10.6785 -10.6785 -10.6451 -10.6451 -10.6422 -10.6422 -0.1623 -0.1623 -0.1180 -0.1180 0.2333 0.2333 0.3429 0.3429 0.6929 0.6929 0.8656 0.8656 0.9186 0.9186 1.0303 1.0303 1.5608 1.5608 1.6449 1.6449 1.6778 1.6778 1.7711 1.7711 7.0503 7.0503 7.0529 7.0529 8.0621 8.0621 8.0802 8.0802 8.3604 8.3606 k = 0.5000-0.0000 0.2335 ( 7918 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2373 -18.2373 -18.2285 -18.2285 -17.8774 -17.8774 -17.8656 -17.8656 -17.8411 -17.8411 -17.8394 -17.8394 -10.6805 -10.6805 -10.6800 -10.6800 -10.6435 -10.6435 -10.6408 -10.6408 -0.1532 -0.1532 -0.1078 -0.1078 0.2337 0.2337 0.3371 0.3371 0.6872 0.6872 0.8781 0.8781 0.9076 0.9076 1.0390 1.0390 1.5468 1.5468 1.6434 1.6434 1.6621 1.6621 1.7670 1.7670 7.0772 7.0772 7.0804 7.0804 8.0607 8.0607 8.0793 8.0793 8.3480 8.3480 k = 0.5000-0.0000 0.2198 ( 7902 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2371 -18.2371 -18.2286 -18.2286 -17.8771 -17.8771 -17.8657 -17.8657 -17.8412 -17.8412 -17.8395 -17.8395 -10.6821 -10.6821 -10.6816 -10.6816 -10.6418 -10.6418 -10.6392 -10.6392 -0.1426 -0.1426 -0.0960 -0.0960 0.2342 0.2342 0.3305 0.3305 0.6820 0.6820 0.8910 0.8910 0.8964 0.8964 1.0471 1.0471 1.5312 1.5312 1.6418 1.6418 1.6444 1.6444 1.7621 1.7621 7.1081 7.1081 7.1122 7.1122 8.0589 8.0589 8.0780 8.0780 8.3335 8.3335 k = 0.5000-0.0000 0.2061 ( 7910 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2369 -18.2369 -18.2288 -18.2288 -17.8769 -17.8769 -17.8658 -17.8658 -17.8413 -17.8413 -17.8396 -17.8396 -10.6838 -10.6838 -10.6832 -10.6832 -10.6400 -10.6400 -10.6377 -10.6377 -0.1307 -0.1307 -0.0826 -0.0826 0.2348 0.2348 0.3232 0.3232 0.6773 0.6773 0.8850 0.8850 0.9040 0.9040 1.0543 1.0543 1.5144 1.5144 1.6250 1.6250 1.6401 1.6401 1.7567 1.7567 7.1428 7.1428 7.1477 7.1477 8.0567 8.0567 8.0763 8.0763 8.3170 8.3171 k = 0.5000-0.0000 0.1923 ( 7922 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2367 -18.2367 -18.2289 -18.2289 -17.8765 -17.8765 -17.8659 -17.8659 -17.8414 -17.8414 -17.8397 -17.8397 -10.6855 -10.6855 -10.6849 -10.6849 -10.6383 -10.6383 -10.6361 -10.6361 -0.1175 -0.1175 -0.0678 -0.0678 0.2357 0.2357 0.3153 0.3153 0.6731 0.6731 0.8733 0.8733 0.9168 0.9168 1.0605 1.0605 1.4967 1.4967 1.6042 1.6042 1.6385 1.6385 1.7507 1.7507 7.1808 7.1808 7.1867 7.1867 8.0538 8.0538 8.0741 8.0741 8.2988 8.2988 k = 0.5000-0.0000 0.1786 ( 7908 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2365 -18.2365 -18.2291 -18.2291 -17.8762 -17.8762 -17.8661 -17.8661 -17.8415 -17.8415 -17.8399 -17.8399 -10.6871 -10.6871 -10.6865 -10.6865 -10.6367 -10.6367 -10.6346 -10.6346 -0.1033 -0.1033 -0.0518 -0.0518 0.2368 0.2368 0.3070 0.3070 0.6694 0.6694 0.8611 0.8611 0.9294 0.9294 1.0657 1.0657 1.4786 1.4786 1.5824 1.5824 1.6371 1.6371 1.7443 1.7443 7.2217 7.2217 7.2286 7.2286 8.0503 8.0503 8.0713 8.0713 8.2792 8.2792 k = 0.5000-0.0000 0.1649 ( 7906 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2363 -18.2363 -18.2293 -18.2293 -17.8758 -17.8758 -17.8662 -17.8662 -17.8416 -17.8416 -17.8400 -17.8400 -10.6887 -10.6887 -10.6881 -10.6881 -10.6350 -10.6350 -10.6331 -10.6331 -0.0881 -0.0881 -0.0348 -0.0348 0.2383 0.2383 0.2986 0.2986 0.6661 0.6661 0.8482 0.8482 0.9415 0.9415 1.0699 1.0699 1.4604 1.4604 1.5599 1.5599 1.6360 1.6360 1.7376 1.7376 7.2650 7.2650 7.2729 7.2729 8.0460 8.0460 8.0677 8.0677 8.2585 8.2585 k = 0.5000-0.0000 0.1511 ( 7904 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2360 -18.2360 -18.2295 -18.2295 -17.8754 -17.8754 -17.8664 -17.8664 -17.8417 -17.8417 -17.8402 -17.8402 -10.6902 -10.6902 -10.6896 -10.6896 -10.6335 -10.6335 -10.6317 -10.6317 -0.0722 -0.0722 -0.0171 -0.0171 0.2400 0.2400 0.2901 0.2901 0.6631 0.6631 0.8346 0.8346 0.9531 0.9531 1.0730 1.0730 1.4426 1.4426 1.5372 1.5372 1.6352 1.6352 1.7306 1.7306 7.3102 7.3102 7.3192 7.3192 8.0406 8.0406 8.0630 8.0630 8.2372 8.2372 k = 0.5000-0.0000 0.1374 ( 7900 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2358 -18.2358 -18.2297 -18.2297 -17.8750 -17.8750 -17.8666 -17.8666 -17.8418 -17.8418 -17.8403 -17.8403 -10.6916 -10.6916 -10.6910 -10.6910 -10.6320 -10.6320 -10.6304 -10.6304 -0.0558 -0.0558 0.0010 0.0010 0.2421 0.2421 0.2819 0.2819 0.6603 0.6603 0.8201 0.8201 0.9642 0.9642 1.0751 1.0751 1.4256 1.4256 1.5146 1.5146 1.6350 1.6350 1.7236 1.7236 7.3570 7.3570 7.3670 7.3670 8.0340 8.0340 8.0571 8.0571 8.2157 8.2157 k = 0.5000-0.0000 0.1236 ( 7896 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2355 -18.2355 -18.2300 -18.2300 -17.8745 -17.8745 -17.8668 -17.8668 -17.8419 -17.8419 -17.8405 -17.8405 -10.6929 -10.6929 -10.6923 -10.6923 -10.6307 -10.6307 -10.6292 -10.6292 -0.0391 -0.0391 0.0190 0.0190 0.2446 0.2446 0.2741 0.2741 0.6576 0.6576 0.8047 0.8047 0.9747 0.9747 1.0763 1.0763 1.4097 1.4097 1.4925 1.4925 1.6353 1.6353 1.7165 1.7165 7.4047 7.4047 7.4158 7.4158 8.0259 8.0259 8.0496 8.0496 8.1944 8.1944 k = 0.5000-0.0000 0.1099 ( 7904 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2352 -18.2352 -18.2302 -18.2302 -17.8740 -17.8740 -17.8671 -17.8671 -17.8420 -17.8420 -17.8407 -17.8407 -10.6940 -10.6940 -10.6935 -10.6935 -10.6294 -10.6294 -10.6281 -10.6281 -0.0224 -0.0224 0.0364 0.0364 0.2474 0.2474 0.2671 0.2671 0.6550 0.6550 0.7885 0.7885 0.9847 0.9847 1.0765 1.0765 1.3952 1.3952 1.4711 1.4711 1.6361 1.6361 1.7094 1.7094 7.4528 7.4528 7.4649 7.4649 8.0158 8.0158 8.0399 8.0399 8.1741 8.1741 k = 0.5000-0.0000 0.0962 ( 7920 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2349 -18.2349 -18.2305 -18.2305 -17.8736 -17.8736 -17.8674 -17.8674 -17.8420 -17.8420 -17.8409 -17.8409 -10.6951 -10.6951 -10.6946 -10.6946 -10.6283 -10.6283 -10.6271 -10.6271 -0.0059 -0.0059 0.0526 0.0526 0.2504 0.2504 0.2613 0.2613 0.6526 0.6526 0.7715 0.7715 0.9942 0.9942 1.0759 1.0759 1.3826 1.3826 1.4508 1.4508 1.6375 1.6375 1.7025 1.7025 7.5009 7.5009 7.5140 7.5140 8.0034 8.0034 8.0276 8.0276 8.1554 8.1554 k = 0.5000-0.0000 0.0824 ( 7924 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2346 -18.2346 -18.2308 -18.2308 -17.8731 -17.8731 -17.8677 -17.8677 -17.8421 -17.8421 -17.8410 -17.8410 -10.6960 -10.6960 -10.6956 -10.6956 -10.6272 -10.6272 -10.6263 -10.6263 0.0102 0.0102 0.0668 0.0668 0.2536 0.2536 0.2569 0.2569 0.6505 0.6505 0.7540 0.7540 1.0033 1.0033 1.0744 1.0744 1.3719 1.3719 1.4319 1.4319 1.6394 1.6394 1.6958 1.6958 7.5486 7.5486 7.5626 7.5626 7.9881 7.9881 8.0121 8.0121 8.1392 8.1392 k = 0.5000-0.0000 0.0687 ( 7928 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2343 -18.2343 -18.2311 -18.2311 -17.8726 -17.8726 -17.8681 -17.8681 -17.8421 -17.8421 -17.8412 -17.8412 -10.6968 -10.6968 -10.6965 -10.6965 -10.6264 -10.6264 -10.6256 -10.6256 0.0255 0.0255 0.0783 0.0783 0.2543 0.2543 0.2567 0.2567 0.6490 0.6490 0.7364 0.7364 1.0120 1.0120 1.0722 1.0722 1.3634 1.3634 1.4146 1.4146 1.6419 1.6419 1.6893 1.6893 7.5952 7.5952 7.6099 7.6099 7.9698 7.9698 7.9929 7.9929 8.1257 8.1257 k = 0.5000-0.0000 0.0550 ( 7920 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2340 -18.2340 -18.2314 -18.2314 -17.8721 -17.8721 -17.8684 -17.8684 -17.8421 -17.8421 -17.8414 -17.8414 -10.6975 -10.6975 -10.6972 -10.6972 -10.6256 -10.6256 -10.6250 -10.6250 0.0398 0.0398 0.0864 0.0864 0.2537 0.2537 0.2594 0.2594 0.6486 0.6486 0.7193 0.7193 1.0203 1.0203 1.0692 1.0692 1.3573 1.3573 1.3992 1.3992 1.6449 1.6449 1.6830 1.6830 7.6403 7.6403 7.6556 7.6556 7.9483 7.9483 7.9703 7.9703 8.1154 8.1154 k = 0.5000-0.0000 0.0412 ( 7918 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2336 -18.2336 -18.2317 -18.2317 -17.8716 -17.8716 -17.8688 -17.8688 -17.8421 -17.8421 -17.8415 -17.8415 -10.6979 -10.6979 -10.6977 -10.6977 -10.6250 -10.6250 -10.6245 -10.6245 0.0530 0.0530 0.0907 0.0907 0.2548 0.2548 0.2616 0.2616 0.6495 0.6495 0.7030 0.7030 1.0283 1.0283 1.0654 1.0654 1.3538 1.3538 1.3857 1.3857 1.6484 1.6484 1.6771 1.6771 7.6832 7.6832 7.6986 7.6986 7.9243 7.9243 7.9446 7.9446 8.1078 8.1079 k = 0.5000-0.0000 0.0275 ( 7918 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2333 -18.2333 -18.2320 -18.2320 -17.8711 -17.8711 -17.8693 -17.8693 -17.8420 -17.8420 -17.8416 -17.8416 -10.6983 -10.6983 -10.6982 -10.6982 -10.6246 -10.6246 -10.6242 -10.6242 0.0647 0.0647 0.0913 0.0913 0.2570 0.2570 0.2628 0.2628 0.6524 0.6524 0.6883 0.6883 1.0358 1.0358 1.0608 1.0608 1.3528 1.3528 1.3743 1.3743 1.6522 1.6522 1.6715 1.6715 7.7227 7.7227 7.7374 7.7374 7.8993 7.8993 7.9171 7.9171 8.1028 8.1032 k = 0.5000-0.0000 0.0137 ( 7914 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2330 -18.2330 -18.2323 -18.2323 -17.8706 -17.8706 -17.8697 -17.8697 -17.8419 -17.8419 -17.8417 -17.8417 -10.6985 -10.6985 -10.6984 -10.6984 -10.6243 -10.6243 -10.6241 -10.6241 0.0748 0.0748 0.0885 0.0885 0.2596 0.2596 0.2629 0.2629 0.6575 0.6575 0.6756 0.6756 1.0429 1.0429 1.0555 1.0555 1.3544 1.3544 1.3652 1.3652 1.6565 1.6565 1.6661 1.6661 7.7563 7.7563 7.7674 7.7674 7.8779 7.8779 7.8905 7.8905 8.1002 8.1007 k = 0.5000-0.0000-0.0000 ( 7910 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2326 -18.2326 -18.2326 -18.2326 -17.8702 -17.8702 -17.8701 -17.8701 -17.8418 -17.8418 -17.8418 -17.8418 -10.6985 -10.6985 -10.6985 -10.6985 -10.6241 -10.6241 -10.6241 -10.6241 0.0828 0.0828 0.0828 0.0828 0.2617 0.2617 0.2617 0.2617 0.6653 0.6653 0.6653 0.6653 1.0495 1.0495 1.0495 1.0495 1.3586 1.3586 1.3586 1.3586 1.6611 1.6611 1.6611 1.6611 7.7757 7.7757 7.7757 7.7757 7.8729 7.8729 7.8729 7.8729 8.0998 8.0998 k = 0.5000 0.3297-0.0000 ( 7944 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2388 -18.2388 -18.2270 -18.2270 -17.8796 -17.8796 -17.8635 -17.8635 -17.8416 -17.8416 -17.8389 -17.8389 -10.6952 -10.6952 -10.6952 -10.6952 -10.6296 -10.6296 -10.6254 -10.6254 -0.0434 -0.0434 -0.0235 -0.0235 0.1435 0.1435 0.2665 0.2665 0.7400 0.7400 0.7449 0.7449 0.8480 0.8480 0.9965 0.9965 1.4276 1.4276 1.5206 1.5206 1.8353 1.8353 1.9662 1.9662 7.2387 7.2387 7.2420 7.2420 8.0437 8.0437 8.0522 8.0522 8.3927 8.3927 k = 0.5000 0.3297 0.0137 ( 7952 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2387 -18.2387 -18.2270 -18.2270 -17.8796 -17.8796 -17.8636 -17.8636 -17.8416 -17.8416 -17.8389 -17.8389 -10.6951 -10.6951 -10.6951 -10.6951 -10.6297 -10.6297 -10.6255 -10.6255 -0.0461 -0.0461 -0.0263 -0.0263 0.1439 0.1439 0.2672 0.2672 0.7371 0.7371 0.7468 0.7468 0.8529 0.8529 0.9964 0.9964 1.4285 1.4285 1.5219 1.5219 1.8355 1.8355 1.9665 1.9665 7.2396 7.2396 7.2428 7.2428 8.0425 8.0425 8.0510 8.0510 8.3924 8.3924 k = 0.5000 0.3297 0.0275 ( 7944 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2387 -18.2387 -18.2270 -18.2270 -17.8795 -17.8795 -17.8636 -17.8636 -17.8416 -17.8416 -17.8389 -17.8389 -10.6949 -10.6949 -10.6949 -10.6949 -10.6299 -10.6299 -10.6257 -10.6257 -0.0539 -0.0539 -0.0344 -0.0344 0.1452 0.1452 0.2692 0.2692 0.7301 0.7301 0.7524 0.7524 0.8658 0.8658 0.9963 0.9963 1.4311 1.4311 1.5260 1.5260 1.8364 1.8364 1.9673 1.9673 7.2421 7.2421 7.2453 7.2453 8.0387 8.0387 8.0473 8.0473 8.3915 8.3915 k = 0.5000 0.3297 0.0412 ( 7940 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2386 -18.2386 -18.2271 -18.2271 -17.8794 -17.8794 -17.8636 -17.8636 -17.8416 -17.8416 -17.8390 -17.8390 -10.6945 -10.6945 -10.6945 -10.6945 -10.6302 -10.6302 -10.6260 -10.6260 -0.0660 -0.0660 -0.0471 -0.0471 0.1466 0.1466 0.2716 0.2716 0.7220 0.7220 0.7615 0.7615 0.8838 0.8838 0.9961 0.9961 1.4355 1.4355 1.5326 1.5326 1.8377 1.8377 1.9685 1.9685 7.2464 7.2464 7.2494 7.2494 8.0325 8.0325 8.0412 8.0412 8.3900 8.3900 k = 0.5000 0.3297 0.0550 ( 7936 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2385 -18.2385 -18.2272 -18.2272 -17.8792 -17.8792 -17.8637 -17.8637 -17.8417 -17.8417 -17.8390 -17.8390 -10.6940 -10.6940 -10.6939 -10.6939 -10.6306 -10.6306 -10.6265 -10.6265 -0.0818 -0.0818 -0.0632 -0.0632 0.1478 0.1478 0.2735 0.2735 0.7152 0.7152 0.7736 0.7736 0.9044 0.9044 0.9958 0.9958 1.4417 1.4417 1.5418 1.5418 1.8396 1.8396 1.9703 1.9703 7.2523 7.2523 7.2552 7.2552 8.0239 8.0239 8.0327 8.0327 8.3879 8.3879 k = 0.5000 0.3297 0.0687 ( 7936 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2384 -18.2384 -18.2273 -18.2273 -17.8790 -17.8790 -17.8638 -17.8638 -17.8417 -17.8417 -17.8391 -17.8391 -10.6934 -10.6934 -10.6933 -10.6933 -10.6312 -10.6312 -10.6271 -10.6271 -0.1001 -0.1001 -0.0821 -0.0821 0.1482 0.1482 0.2740 0.2740 0.7110 0.7110 0.7884 0.7884 0.9263 0.9263 0.9954 0.9954 1.4498 1.4498 1.5532 1.5532 1.8419 1.8419 1.9725 1.9725 7.2599 7.2599 7.2625 7.2625 8.0129 8.0129 8.0218 8.0218 8.3851 8.3851 k = 0.5000 0.3297 0.0824 ( 7920 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2382 -18.2382 -18.2274 -18.2274 -17.8788 -17.8788 -17.8639 -17.8639 -17.8418 -17.8418 -17.8392 -17.8392 -10.6926 -10.6926 -10.6924 -10.6924 -10.6319 -10.6319 -10.6278 -10.6278 -0.1203 -0.1203 -0.1027 -0.1027 0.1477 0.1477 0.2725 0.2725 0.7102 0.7102 0.8052 0.8052 0.9484 0.9484 0.9951 0.9951 1.4597 1.4597 1.5667 1.5667 1.8447 1.8447 1.9750 1.9750 7.2691 7.2691 7.2714 7.2714 7.9996 7.9996 8.0087 8.0087 8.3818 8.3818 k = 0.5000 0.3297 0.0962 ( 7924 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2380 -18.2380 -18.2276 -18.2276 -17.8785 -17.8785 -17.8640 -17.8640 -17.8419 -17.8419 -17.8393 -17.8393 -10.6917 -10.6917 -10.6915 -10.6915 -10.6327 -10.6327 -10.6287 -10.6287 -0.1416 -0.1416 -0.1245 -0.1245 0.1462 0.1462 0.2685 0.2685 0.7127 0.7127 0.8234 0.8234 0.9701 0.9701 0.9949 0.9949 1.4716 1.4716 1.5821 1.5821 1.8479 1.8479 1.9777 1.9777 7.2798 7.2798 7.2818 7.2818 7.9841 7.9841 7.9934 7.9934 8.3779 8.3779 k = 0.5000 0.3297 0.1099 ( 7916 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2378 -18.2378 -18.2278 -18.2278 -17.8781 -17.8781 -17.8642 -17.8642 -17.8420 -17.8420 -17.8394 -17.8394 -10.6907 -10.6907 -10.6904 -10.6904 -10.6336 -10.6336 -10.6297 -10.6297 -0.1634 -0.1634 -0.1469 -0.1469 0.1437 0.1437 0.2622 0.2622 0.7185 0.7185 0.8424 0.8424 0.9910 0.9910 0.9950 0.9950 1.4852 1.4852 1.5990 1.5990 1.8515 1.8515 1.9807 1.9807 7.2921 7.2921 7.2937 7.2937 7.9666 7.9666 7.9761 7.9761 8.3733 8.3733 k = 0.5000 0.3297 0.1236 ( 7928 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2376 -18.2376 -18.2280 -18.2280 -17.8778 -17.8778 -17.8644 -17.8644 -17.8421 -17.8421 -17.8396 -17.8396 -10.6895 -10.6895 -10.6892 -10.6892 -10.6346 -10.6346 -10.6308 -10.6308 -0.1852 -0.1852 -0.1695 -0.1695 0.1405 0.1405 0.2538 0.2538 0.7269 0.7269 0.8613 0.8613 0.9957 0.9957 1.0107 1.0107 1.5006 1.5006 1.6170 1.6170 1.8554 1.8554 1.9837 1.9837 7.3058 7.3058 7.3070 7.3070 7.9472 7.9472 7.9569 7.9569 8.3682 8.3682 k = 0.5000 0.3297 0.1374 ( 7924 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2373 -18.2373 -18.2282 -18.2282 -17.8774 -17.8774 -17.8646 -17.8646 -17.8421 -17.8421 -17.8397 -17.8397 -10.6883 -10.6883 -10.6879 -10.6879 -10.6357 -10.6357 -10.6320 -10.6320 -0.2067 -0.2067 -0.1917 -0.1917 0.1368 0.1368 0.2437 0.2437 0.7376 0.7376 0.8792 0.8792 0.9974 0.9974 1.0289 1.0289 1.5175 1.5175 1.6358 1.6358 1.8597 1.8597 1.9867 1.9867 7.3209 7.3209 7.3217 7.3217 7.9261 7.9261 7.9360 7.9360 8.3624 8.3624 k = 0.5000 0.3297 0.1511 ( 7908 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2371 -18.2371 -18.2285 -18.2285 -17.8769 -17.8769 -17.8648 -17.8648 -17.8422 -17.8422 -17.8399 -17.8399 -10.6870 -10.6870 -10.6864 -10.6864 -10.6369 -10.6369 -10.6333 -10.6333 -0.2275 -0.2275 -0.2134 -0.2134 0.1326 0.1326 0.2324 0.2324 0.7497 0.7497 0.8952 0.8952 1.0007 1.0007 1.0457 1.0457 1.5358 1.5358 1.6549 1.6549 1.8644 1.8644 1.9895 1.9895 7.3373 7.3373 7.3376 7.3376 7.9037 7.9037 7.9137 7.9137 8.3560 8.3562 k = 0.5000 0.3297 0.1649 ( 7900 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2368 -18.2368 -18.2287 -18.2287 -17.8765 -17.8765 -17.8651 -17.8651 -17.8423 -17.8423 -17.8400 -17.8400 -10.6855 -10.6855 -10.6849 -10.6849 -10.6382 -10.6382 -10.6347 -10.6347 -0.2474 -0.2474 -0.2342 -0.2342 0.1283 0.1283 0.2203 0.2203 0.7629 0.7629 0.9081 0.9081 1.0064 1.0064 1.0607 1.0607 1.5551 1.5551 1.6738 1.6738 1.8695 1.8695 1.9920 1.9920 7.3547 7.3547 7.3550 7.3550 7.8800 7.8800 7.8901 7.8901 8.3491 8.3493 k = 0.5000 0.3297 0.1786 ( 7900 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2364 -18.2364 -18.2290 -18.2290 -17.8760 -17.8760 -17.8654 -17.8654 -17.8423 -17.8423 -17.8402 -17.8402 -10.6840 -10.6840 -10.6834 -10.6834 -10.6395 -10.6395 -10.6361 -10.6361 -0.2660 -0.2660 -0.2539 -0.2539 0.1241 0.1241 0.2078 0.2078 0.7765 0.7765 0.9172 0.9172 1.0147 1.0147 1.0741 1.0741 1.5752 1.5752 1.6921 1.6921 1.8751 1.8751 1.9940 1.9940 7.3729 7.3729 7.3738 7.3738 7.8552 7.8552 7.8655 7.8655 8.3417 8.3419 k = 0.5000 0.3297 0.1923 ( 7904 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2361 -18.2361 -18.2293 -18.2293 -17.8754 -17.8754 -17.8657 -17.8657 -17.8424 -17.8424 -17.8404 -17.8404 -10.6825 -10.6825 -10.6817 -10.6817 -10.6409 -10.6409 -10.6377 -10.6377 -0.2834 -0.2834 -0.2723 -0.2723 0.1200 0.1200 0.1954 0.1954 0.7902 0.7902 0.9225 0.9225 1.0256 1.0256 1.0858 1.0858 1.5957 1.5957 1.7091 1.7091 1.8813 1.8813 1.9955 1.9955 7.3921 7.3921 7.3937 7.3937 7.8298 7.8298 7.8401 7.8401 8.3339 8.3341 k = 0.5000 0.3297 0.2061 ( 7912 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2358 -18.2358 -18.2297 -18.2297 -17.8749 -17.8749 -17.8661 -17.8661 -17.8424 -17.8424 -17.8406 -17.8406 -10.6809 -10.6809 -10.6801 -10.6801 -10.6423 -10.6423 -10.6392 -10.6392 -0.2992 -0.2992 -0.2892 -0.2892 0.1164 0.1164 0.1833 0.1833 0.8037 0.8037 0.9246 0.9246 1.0382 1.0382 1.0958 1.0958 1.6162 1.6162 1.7243 1.7243 1.8882 1.8882 1.9963 1.9963 7.4122 7.4122 7.4145 7.4145 7.8038 7.8038 7.8141 7.8141 8.3257 8.3258 k = 0.5000 0.3297 0.2198 ( 7904 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2354 -18.2354 -18.2300 -18.2300 -17.8743 -17.8743 -17.8665 -17.8665 -17.8424 -17.8424 -17.8408 -17.8408 -10.6793 -10.6793 -10.6784 -10.6784 -10.6437 -10.6437 -10.6409 -10.6409 -0.3133 -0.3133 -0.3045 -0.3045 0.1133 0.1133 0.1717 0.1717 0.8169 0.8169 0.9243 0.9243 1.0514 1.0514 1.1043 1.1043 1.6364 1.6364 1.7372 1.7372 1.8961 1.8961 1.9963 1.9963 7.4332 7.4332 7.4362 7.4362 7.7776 7.7776 7.7879 7.7879 8.3174 8.3174 k = 0.5000 0.3297 0.2335 ( 7908 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2350 -18.2350 -18.2304 -18.2304 -17.8738 -17.8738 -17.8670 -17.8670 -17.8424 -17.8424 -17.8410 -17.8410 -10.6777 -10.6777 -10.6768 -10.6768 -10.6451 -10.6451 -10.6425 -10.6425 -0.3257 -0.3257 -0.3181 -0.3181 0.1109 0.1109 0.1607 0.1607 0.8294 0.8294 0.9223 0.9223 1.0644 1.0644 1.1111 1.1111 1.6559 1.6559 1.7472 1.7472 1.9049 1.9049 1.9953 1.9953 7.4549 7.4549 7.4586 7.4586 7.7512 7.7512 7.7614 7.7614 8.3092 8.3093 k = 0.5000 0.3297 0.2473 ( 7888 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2346 -18.2346 -18.2307 -18.2307 -17.8731 -17.8731 -17.8674 -17.8674 -17.8424 -17.8424 -17.8411 -17.8411 -10.6762 -10.6762 -10.6753 -10.6753 -10.6464 -10.6464 -10.6440 -10.6440 -0.3362 -0.3362 -0.3299 -0.3299 0.1093 0.1093 0.1507 0.1507 0.8412 0.8412 0.9189 0.9189 1.0768 1.0768 1.1163 1.1163 1.6745 1.6745 1.7541 1.7541 1.9145 1.9145 1.9932 1.9932 7.4773 7.4773 7.4817 7.4817 7.7249 7.7249 7.7349 7.7349 8.3015 8.3016 k = 0.5000 0.3297 0.2610 ( 7880 PWs) bands (ev): -36.9475 -36.9475 -36.9474 -36.9474 -18.2342 -18.2342 -18.2311 -18.2311 -17.8725 -17.8725 -17.8679 -17.8679 -17.8423 -17.8423 -17.8413 -17.8413 -10.6748 -10.6748 -10.6739 -10.6739 -10.6476 -10.6476 -10.6456 -10.6456 -0.3448 -0.3448 -0.3397 -0.3397 0.1086 0.1086 0.1416 0.1416 0.8524 0.8524 0.9146 0.9146 1.0879 1.0879 1.1198 1.1198 1.6918 1.6918 1.7578 1.7578 1.9247 1.9247 1.9899 1.9899 7.5002 7.5002 7.5054 7.5054 7.6987 7.6987 7.7085 7.7085 8.2946 8.2948 k = 0.5000 0.3297 0.2748 ( 7888 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2339 -18.2339 -18.2315 -18.2315 -17.8719 -17.8719 -17.8684 -17.8684 -17.8422 -17.8422 -17.8415 -17.8415 -10.6735 -10.6735 -10.6727 -10.6727 -10.6486 -10.6486 -10.6469 -10.6469 -0.3514 -0.3514 -0.3476 -0.3476 0.1088 0.1088 0.1335 0.1335 0.8627 0.8627 0.9094 0.9094 1.0977 1.0977 1.1218 1.1218 1.7075 1.7075 1.7585 1.7585 1.9352 1.9352 1.9854 1.9854 7.5236 7.5236 7.5295 7.5295 7.6728 7.6728 7.6822 7.6822 8.2889 8.2890 k = 0.5000 0.3297 0.2885 ( 7888 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2335 -18.2335 -18.2319 -18.2319 -17.8713 -17.8713 -17.8690 -17.8690 -17.8422 -17.8422 -17.8416 -17.8416 -10.6724 -10.6724 -10.6718 -10.6718 -10.6493 -10.6493 -10.6481 -10.6481 -0.3560 -0.3560 -0.3534 -0.3534 0.1101 0.1101 0.1266 0.1266 0.8723 0.8723 0.9034 0.9034 1.1059 1.1059 1.1220 1.1220 1.7215 1.7215 1.7562 1.7562 1.9456 1.9456 1.9797 1.9797 7.5474 7.5474 7.5541 7.5541 7.6472 7.6472 7.6562 7.6562 8.2845 8.2846 k = 0.5000 0.3297 0.3022 ( 7892 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2331 -18.2331 -18.2323 -18.2323 -17.8707 -17.8707 -17.8695 -17.8695 -17.8421 -17.8421 -17.8418 -17.8418 -10.6716 -10.6716 -10.6713 -10.6713 -10.6496 -10.6496 -10.6490 -10.6490 -0.3585 -0.3585 -0.3572 -0.3572 0.1125 0.1125 0.1207 0.1207 0.8812 0.8812 0.8967 0.8967 1.1125 1.1125 1.1206 1.1206 1.7336 1.7336 1.7511 1.7511 1.9555 1.9555 1.9727 1.9727 7.5715 7.5715 7.5788 7.5788 7.6221 7.6221 7.6305 7.6305 8.2819 8.2819 k = 0.5000 0.3297 0.3160 ( 7896 PWs) bands (ev): -36.9475 -36.9475 -36.9475 -36.9475 -18.2327 -18.2327 -18.2327 -18.2327 -17.8701 -17.8701 -17.8701 -17.8701 -17.8420 -17.8420 -17.8419 -17.8419 -10.6713 -10.6713 -10.6713 -10.6713 -10.6495 -10.6495 -10.6495 -10.6495 -0.3589 -0.3589 -0.3589 -0.3589 0.1161 0.1161 0.1161 0.1161 0.8893 0.8893 0.8893 0.8893 1.1174 1.1174 1.1174 1.1174 1.7435 1.7435 1.7435 1.7435 1.9646 1.9646 1.9646 1.9646 7.5945 7.5945 7.5945 7.5945 7.6066 7.6066 7.6066 7.6066 8.2810 8.2810 Writing output data file CaBr2.save init_run : 0.45s CPU 0.69s WALL ( 1 calls) electrons : 1057.05s CPU 1065.44s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.03s WALL ( 1 calls) potinit : 0.05s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 1057.05s CPU 1065.43s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.04s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.03s WALL ( 1 calls) newd : 0.12s CPU 0.13s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.09s WALL ( 348 calls) cegterg : 1029.67s CPU 1037.51s WALL ( 1683 calls) Called by sum_band: Called by *egterg: h_psi : 549.32s CPU 567.38s WALL ( 33274 calls) s_psi : 33.33s CPU 34.11s WALL ( 33274 calls) g_psi : 1.93s CPU 1.82s WALL ( 31243 calls) cdiaghg : 300.34s CPU 288.58s WALL ( 31591 calls) cegterg:over : 63.33s CPU 59.84s WALL ( 31243 calls) cegterg:upda : 31.96s CPU 42.92s WALL ( 31243 calls) cegterg:last : 22.33s CPU 23.88s WALL ( 3496 calls) Called by h_psi: h_psi:vloc : 498.55s CPU 507.49s WALL ( 33274 calls) h_psi:vnl : 50.17s CPU 58.63s WALL ( 33274 calls) add_vuspsi : 22.47s CPU 27.77s WALL ( 33274 calls) General routines calbec : 27.66s CPU 30.77s WALL ( 33274 calls) fft : 0.04s CPU 0.07s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 491.12s CPU 483.74s WALL ( 2423480 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.10s CPU 0.25s WALL ( 696 calls) Parallel routines fft_scatter : 443.63s CPU 324.14s WALL ( 2423503 calls) PWSCF : 18m16.67s CPU 18m36.60s WALL This run was terminated on: 16:29:28 16Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=