Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 15:45:22 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./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: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 61 45 12 2819 1753 268 Max 63 46 13 2824 1767 275 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: /users/gautes/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: /users/gautes/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 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [1,0,0] -C2 -2 180 deg rotation - cart. axis [1,0,0] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [1,0,0] -s_h -4 inv. 180 deg rotation - cart. axis [1,0,0] E Cartesian axes number of k points= 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 0.3913044), 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 0.1086957), 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 0.3913044), 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 0.39 Mb ( 440, 58) NL pseudopotentials 0.42 Mb ( 220, 124) Each V/rho on FFT grid 0.10 Mb ( 6480) Each G-vector array 0.02 Mb ( 2819) G-vector shells 0.01 Mb ( 1423) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.56 Mb ( 440, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) 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 4.1 secs Computing kpt #: 2 total cpu time spent up to now is 5.3 secs Computing kpt #: 3 total cpu time spent up to now is 6.9 secs Computing kpt #: 4 total cpu time spent up to now is 8.4 secs Computing kpt #: 5 total cpu time spent up to now is 9.8 secs Computing kpt #: 6 total cpu time spent up to now is 11.1 secs Computing kpt #: 7 total cpu time spent up to now is 12.9 secs Computing kpt #: 8 total cpu time spent up to now is 14.9 secs Computing kpt #: 9 total cpu time spent up to now is 16.1 secs Computing kpt #: 10 total cpu time spent up to now is 17.4 secs Computing kpt #: 11 total cpu time spent up to now is 18.9 secs Computing kpt #: 12 total cpu time spent up to now is 20.2 secs Computing kpt #: 13 total cpu time spent up to now is 21.3 secs Computing kpt #: 14 total cpu time spent up to now is 22.9 secs Computing kpt #: 15 total cpu time spent up to now is 24.2 secs Computing kpt #: 16 total cpu time spent up to now is 25.4 secs Computing kpt #: 17 total cpu time spent up to now is 26.5 secs Computing kpt #: 18 total cpu time spent up to now is 27.8 secs Computing kpt #: 19 total cpu time spent up to now is 28.9 secs Computing kpt #: 20 total cpu time spent up to now is 30.0 secs Computing kpt #: 21 total cpu time spent up to now is 31.1 secs Computing kpt #: 22 total cpu time spent up to now is 32.3 secs Computing kpt #: 23 total cpu time spent up to now is 33.4 secs Computing kpt #: 24 total cpu time spent up to now is 34.5 secs Computing kpt #: 25 total cpu time spent up to now is 35.6 secs Computing kpt #: 26 total cpu time spent up to now is 36.9 secs Computing kpt #: 27 total cpu time spent up to now is 38.2 secs Computing kpt #: 28 total cpu time spent up to now is 39.5 secs Computing kpt #: 29 total cpu time spent up to now is 40.8 secs Computing kpt #: 30 total cpu time spent up to now is 42.1 secs Computing kpt #: 31 total cpu time spent up to now is 43.3 secs Computing kpt #: 32 total cpu time spent up to now is 44.5 secs Computing kpt #: 33 total cpu time spent up to now is 45.7 secs Computing kpt #: 34 total cpu time spent up to now is 46.8 secs Computing kpt #: 35 total cpu time spent up to now is 47.9 secs Computing kpt #: 36 total cpu time spent up to now is 49.7 secs Computing kpt #: 37 total cpu time spent up to now is 51.7 secs Computing kpt #: 38 total cpu time spent up to now is 52.8 secs Computing kpt #: 39 total cpu time spent up to now is 53.9 secs Computing kpt #: 40 total cpu time spent up to now is 55.1 secs Computing kpt #: 41 total cpu time spent up to now is 56.3 secs Computing kpt #: 42 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 58.5 secs Computing kpt #: 43 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 60.6 secs Computing kpt #: 44 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 62.8 secs Computing kpt #: 45 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 65.1 secs Computing kpt #: 46 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 67.3 secs Computing kpt #: 47 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 69.5 secs Computing kpt #: 48 total cpu time spent up to now is 71.6 secs Computing kpt #: 49 total cpu time spent up to now is 73.2 secs Computing kpt #: 50 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 75.4 secs Computing kpt #: 51 total cpu time spent up to now is 76.8 secs Computing kpt #: 52 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 79.0 secs Computing kpt #: 53 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 81.3 secs Computing kpt #: 54 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 83.4 secs Computing kpt #: 55 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 85.6 secs Computing kpt #: 56 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 87.8 secs Computing kpt #: 57 total cpu time spent up to now is 89.4 secs Computing kpt #: 58 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 91.6 secs Computing kpt #: 59 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 93.8 secs Computing kpt #: 60 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 95.9 secs Computing kpt #: 61 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 98.1 secs Computing kpt #: 62 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 100.3 secs Computing kpt #: 63 total cpu time spent up to now is 101.5 secs Computing kpt #: 64 total cpu time spent up to now is 102.7 secs Computing kpt #: 65 total cpu time spent up to now is 103.9 secs Computing kpt #: 66 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 106.0 secs Computing kpt #: 67 total cpu time spent up to now is 107.5 secs Computing kpt #: 68 total cpu time spent up to now is 109.6 secs Computing kpt #: 69 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 111.8 secs Computing kpt #: 70 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 113.9 secs Computing kpt #: 71 total cpu time spent up to now is 115.2 secs Computing kpt #: 72 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 117.7 secs Computing kpt #: 73 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 119.9 secs Computing kpt #: 74 total cpu time spent up to now is 121.1 secs Computing kpt #: 75 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 123.3 secs Computing kpt #: 76 total cpu time spent up to now is 124.7 secs Computing kpt #: 77 total cpu time spent up to now is 126.7 secs Computing kpt #: 78 total cpu time spent up to now is 128.7 secs Computing kpt #: 79 total cpu time spent up to now is 130.6 secs Computing kpt #: 80 total cpu time spent up to now is 132.1 secs Computing kpt #: 81 total cpu time spent up to now is 134.0 secs Computing kpt #: 82 total cpu time spent up to now is 135.6 secs Computing kpt #: 83 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 137.7 secs Computing kpt #: 84 total cpu time spent up to now is 139.6 secs Computing kpt #: 85 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 141.8 secs Computing kpt #: 86 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 144.0 secs Computing kpt #: 87 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 146.3 secs Computing kpt #: 88 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 148.5 secs Computing kpt #: 89 total cpu time spent up to now is 150.4 secs Computing kpt #: 90 total cpu time spent up to now is 152.3 secs Computing kpt #: 91 total cpu time spent up to now is 154.1 secs Computing kpt #: 92 total cpu time spent up to now is 155.9 secs Computing kpt #: 93 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 158.1 secs Computing kpt #: 94 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 160.3 secs Computing kpt #: 95 total cpu time spent up to now is 162.5 secs Computing kpt #: 96 total cpu time spent up to now is 164.2 secs Computing kpt #: 97 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 166.4 secs Computing kpt #: 98 total cpu time spent up to now is 168.1 secs Computing kpt #: 99 total cpu time spent up to now is 169.9 secs Computing kpt #: 100 total cpu time spent up to now is 171.7 secs Computing kpt #: 101 total cpu time spent up to now is 173.3 secs Computing kpt #: 102 total cpu time spent up to now is 174.9 secs Computing kpt #: 103 total cpu time spent up to now is 176.4 secs Computing kpt #: 104 total cpu time spent up to now is 177.9 secs Computing kpt #: 105 total cpu time spent up to now is 179.1 secs Computing kpt #: 106 total cpu time spent up to now is 180.5 secs Computing kpt #: 107 total cpu time spent up to now is 181.8 secs Computing kpt #: 108 total cpu time spent up to now is 183.0 secs Computing kpt #: 109 total cpu time spent up to now is 184.2 secs Computing kpt #: 110 total cpu time spent up to now is 185.5 secs Computing kpt #: 111 total cpu time spent up to now is 186.7 secs Computing kpt #: 112 total cpu time spent up to now is 188.2 secs Computing kpt #: 113 total cpu time spent up to now is 189.8 secs Computing kpt #: 114 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 192.0 secs Computing kpt #: 115 total cpu time spent up to now is 193.3 secs Computing kpt #: 116 total cpu time spent up to now is 194.7 secs Computing kpt #: 117 total cpu time spent up to now is 195.9 secs Computing kpt #: 118 total cpu time spent up to now is 197.3 secs Computing kpt #: 119 total cpu time spent up to now is 198.6 secs Computing kpt #: 120 total cpu time spent up to now is 199.9 secs Computing kpt #: 121 total cpu time spent up to now is 201.2 secs Computing kpt #: 122 total cpu time spent up to now is 202.5 secs Computing kpt #: 123 total cpu time spent up to now is 203.9 secs Computing kpt #: 124 total cpu time spent up to now is 205.1 secs Computing kpt #: 125 total cpu time spent up to now is 206.4 secs Computing kpt #: 126 total cpu time spent up to now is 207.6 secs Computing kpt #: 127 total cpu time spent up to now is 209.0 secs Computing kpt #: 128 total cpu time spent up to now is 210.3 secs Computing kpt #: 129 total cpu time spent up to now is 211.6 secs Computing kpt #: 130 total cpu time spent up to now is 212.8 secs Computing kpt #: 131 total cpu time spent up to now is 214.2 secs Computing kpt #: 132 total cpu time spent up to now is 215.4 secs Computing kpt #: 133 total cpu time spent up to now is 216.8 secs Computing kpt #: 134 total cpu time spent up to now is 218.0 secs Computing kpt #: 135 total cpu time spent up to now is 219.8 secs Computing kpt #: 136 total cpu time spent up to now is 221.2 secs Computing kpt #: 137 total cpu time spent up to now is 222.6 secs Computing kpt #: 138 total cpu time spent up to now is 223.9 secs Computing kpt #: 139 total cpu time spent up to now is 225.5 secs Computing kpt #: 140 total cpu time spent up to now is 227.4 secs Computing kpt #: 141 total cpu time spent up to now is 229.2 secs Computing kpt #: 142 total cpu time spent up to now is 230.5 secs Computing kpt #: 143 total cpu time spent up to now is 231.8 secs Computing kpt #: 144 total cpu time spent up to now is 233.0 secs Computing kpt #: 145 total cpu time spent up to now is 234.3 secs Computing kpt #: 146 total cpu time spent up to now is 235.7 secs Computing kpt #: 147 total cpu time spent up to now is 237.2 secs Computing kpt #: 148 total cpu time spent up to now is 239.4 secs Computing kpt #: 149 total cpu time spent up to now is 240.9 secs Computing kpt #: 150 total cpu time spent up to now is 242.2 secs Computing kpt #: 151 total cpu time spent up to now is 243.4 secs Computing kpt #: 152 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 245.6 secs Computing kpt #: 153 total cpu time spent up to now is 247.1 secs Computing kpt #: 154 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 249.4 secs Computing kpt #: 155 total cpu time spent up to now is 250.9 secs Computing kpt #: 156 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 253.1 secs Computing kpt #: 157 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 255.2 secs Computing kpt #: 158 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 257.4 secs Computing kpt #: 159 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 259.6 secs Computing kpt #: 160 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 261.8 secs Computing kpt #: 161 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 264.0 secs Computing kpt #: 162 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 266.2 secs Computing kpt #: 163 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 268.4 secs Computing kpt #: 164 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 270.6 secs Computing kpt #: 165 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 272.8 secs Computing kpt #: 166 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 274.9 secs Computing kpt #: 167 total cpu time spent up to now is 276.1 secs Computing kpt #: 168 total cpu time spent up to now is 277.4 secs Computing kpt #: 169 total cpu time spent up to now is 278.5 secs Computing kpt #: 170 total cpu time spent up to now is 279.7 secs Computing kpt #: 171 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 281.9 secs Computing kpt #: 172 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 284.1 secs Computing kpt #: 173 total cpu time spent up to now is 286.2 secs Computing kpt #: 174 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 288.4 secs Computing kpt #: 175 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 290.6 secs Computing kpt #: 176 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 292.8 secs Computing kpt #: 177 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 295.0 secs Computing kpt #: 178 total cpu time spent up to now is 296.4 secs Computing kpt #: 179 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 298.5 secs Computing kpt #: 180 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 300.6 secs Computing kpt #: 181 total cpu time spent up to now is 302.2 secs Computing kpt #: 182 total cpu time spent up to now is 304.1 secs Computing kpt #: 183 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 306.2 secs Computing kpt #: 184 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 308.4 secs Computing kpt #: 185 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 310.7 secs Computing kpt #: 186 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 312.8 secs Computing kpt #: 187 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 314.9 secs Computing kpt #: 188 total cpu time spent up to now is 316.2 secs Computing kpt #: 189 total cpu time spent up to now is 317.5 secs Computing kpt #: 190 total cpu time spent up to now is 318.7 secs Computing kpt #: 191 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 320.8 secs Computing kpt #: 192 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 323.0 secs Computing kpt #: 193 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 325.2 secs Computing kpt #: 194 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 327.4 secs Computing kpt #: 195 total cpu time spent up to now is 328.9 secs Computing kpt #: 196 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 331.1 secs Computing kpt #: 197 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 333.2 secs Computing kpt #: 198 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 335.3 secs Computing kpt #: 199 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 337.5 secs Computing kpt #: 200 total cpu time spent up to now is 339.1 secs Computing kpt #: 201 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 341.3 secs Computing kpt #: 202 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 343.5 secs Computing kpt #: 203 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 345.7 secs Computing kpt #: 204 total cpu time spent up to now is 347.2 secs Computing kpt #: 205 total cpu time spent up to now is 348.7 secs Computing kpt #: 206 total cpu time spent up to now is 349.9 secs Computing kpt #: 207 total cpu time spent up to now is 351.0 secs Computing kpt #: 208 total cpu time spent up to now is 352.1 secs Computing kpt #: 209 total cpu time spent up to now is 353.1 secs Computing kpt #: 210 total cpu time spent up to now is 354.2 secs Computing kpt #: 211 total cpu time spent up to now is 355.3 secs Computing kpt #: 212 total cpu time spent up to now is 356.5 secs Computing kpt #: 213 total cpu time spent up to now is 357.6 secs Computing kpt #: 214 total cpu time spent up to now is 358.7 secs Computing kpt #: 215 total cpu time spent up to now is 359.8 secs Computing kpt #: 216 total cpu time spent up to now is 360.8 secs Computing kpt #: 217 total cpu time spent up to now is 361.9 secs Computing kpt #: 218 total cpu time spent up to now is 363.0 secs Computing kpt #: 219 total cpu time spent up to now is 364.1 secs Computing kpt #: 220 total cpu time spent up to now is 365.3 secs Computing kpt #: 221 total cpu time spent up to now is 366.4 secs Computing kpt #: 222 total cpu time spent up to now is 367.5 secs Computing kpt #: 223 total cpu time spent up to now is 368.7 secs Computing kpt #: 224 total cpu time spent up to now is 369.8 secs Computing kpt #: 225 total cpu time spent up to now is 370.9 secs Computing kpt #: 226 total cpu time spent up to now is 372.1 secs Computing kpt #: 227 total cpu time spent up to now is 373.2 secs Computing kpt #: 228 total cpu time spent up to now is 374.4 secs Computing kpt #: 229 total cpu time spent up to now is 375.6 secs Computing kpt #: 230 total cpu time spent up to now is 376.7 secs Computing kpt #: 231 total cpu time spent up to now is 377.8 secs Computing kpt #: 232 total cpu time spent up to now is 378.9 secs Computing kpt #: 233 total cpu time spent up to now is 380.0 secs Computing kpt #: 234 total cpu time spent up to now is 381.2 secs Computing kpt #: 235 total cpu time spent up to now is 382.3 secs Computing kpt #: 236 total cpu time spent up to now is 383.4 secs Computing kpt #: 237 total cpu time spent up to now is 384.5 secs Computing kpt #: 238 total cpu time spent up to now is 385.6 secs Computing kpt #: 239 total cpu time spent up to now is 386.7 secs Computing kpt #: 240 total cpu time spent up to now is 387.8 secs Computing kpt #: 241 total cpu time spent up to now is 389.1 secs Computing kpt #: 242 total cpu time spent up to now is 390.3 secs Computing kpt #: 243 total cpu time spent up to now is 391.6 secs Computing kpt #: 244 total cpu time spent up to now is 392.8 secs Computing kpt #: 245 total cpu time spent up to now is 393.9 secs Computing kpt #: 246 total cpu time spent up to now is 395.0 secs Computing kpt #: 247 total cpu time spent up to now is 396.1 secs Computing kpt #: 248 total cpu time spent up to now is 397.3 secs Computing kpt #: 249 total cpu time spent up to now is 398.4 secs Computing kpt #: 250 total cpu time spent up to now is 399.6 secs Computing kpt #: 251 total cpu time spent up to now is 400.7 secs Computing kpt #: 252 total cpu time spent up to now is 401.7 secs Computing kpt #: 253 total cpu time spent up to now is 402.9 secs Computing kpt #: 254 total cpu time spent up to now is 404.0 secs Computing kpt #: 255 total cpu time spent up to now is 405.1 secs Computing kpt #: 256 total cpu time spent up to now is 406.3 secs Computing kpt #: 257 total cpu time spent up to now is 407.4 secs Computing kpt #: 258 total cpu time spent up to now is 410.3 secs Computing kpt #: 259 total cpu time spent up to now is 411.5 secs Computing kpt #: 260 total cpu time spent up to now is 412.6 secs Computing kpt #: 261 total cpu time spent up to now is 413.8 secs Computing kpt #: 262 total cpu time spent up to now is 415.0 secs Computing kpt #: 263 total cpu time spent up to now is 416.2 secs Computing kpt #: 264 total cpu time spent up to now is 417.9 secs Computing kpt #: 265 total cpu time spent up to now is 419.1 secs Computing kpt #: 266 total cpu time spent up to now is 420.3 secs Computing kpt #: 267 total cpu time spent up to now is 421.6 secs Computing kpt #: 268 total cpu time spent up to now is 423.2 secs Computing kpt #: 269 total cpu time spent up to now is 425.0 secs Computing kpt #: 270 total cpu time spent up to now is 427.2 secs Computing kpt #: 271 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 429.4 secs Computing kpt #: 272 total cpu time spent up to now is 430.8 secs Computing kpt #: 273 total cpu time spent up to now is 432.1 secs Computing kpt #: 274 total cpu time spent up to now is 433.3 secs Computing kpt #: 275 total cpu time spent up to now is 434.5 secs Computing kpt #: 276 total cpu time spent up to now is 435.8 secs Computing kpt #: 277 total cpu time spent up to now is 437.4 secs Computing kpt #: 278 total cpu time spent up to now is 439.2 secs Computing kpt #: 279 total cpu time spent up to now is 440.7 secs Computing kpt #: 280 total cpu time spent up to now is 442.0 secs Computing kpt #: 281 total cpu time spent up to now is 443.5 secs Computing kpt #: 282 total cpu time spent up to now is 444.8 secs Computing kpt #: 283 total cpu time spent up to now is 446.0 secs Computing kpt #: 284 total cpu time spent up to now is 447.4 secs Computing kpt #: 285 total cpu time spent up to now is 448.6 secs Computing kpt #: 286 total cpu time spent up to now is 449.8 secs Computing kpt #: 287 total cpu time spent up to now is 451.0 secs Computing kpt #: 288 total cpu time spent up to now is 452.1 secs Computing kpt #: 289 total cpu time spent up to now is 453.3 secs Computing kpt #: 290 total cpu time spent up to now is 454.4 secs Computing kpt #: 291 total cpu time spent up to now is 455.6 secs Computing kpt #: 292 total cpu time spent up to now is 456.7 secs Computing kpt #: 293 total cpu time spent up to now is 457.9 secs Computing kpt #: 294 total cpu time spent up to now is 459.0 secs Computing kpt #: 295 total cpu time spent up to now is 460.1 secs Computing kpt #: 296 total cpu time spent up to now is 461.2 secs Computing kpt #: 297 total cpu time spent up to now is 462.5 secs Computing kpt #: 298 total cpu time spent up to now is 463.6 secs Computing kpt #: 299 total cpu time spent up to now is 464.8 secs Computing kpt #: 300 total cpu time spent up to now is 465.8 secs Computing kpt #: 301 total cpu time spent up to now is 467.1 secs Computing kpt #: 302 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 469.2 secs Computing kpt #: 303 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 471.3 secs Computing kpt #: 304 total cpu time spent up to now is 472.9 secs Computing kpt #: 305 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 475.1 secs Computing kpt #: 306 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 477.3 secs Computing kpt #: 307 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 479.4 secs Computing kpt #: 308 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 481.6 secs Computing kpt #: 309 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 483.8 secs Computing kpt #: 310 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 485.9 secs Computing kpt #: 311 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 488.1 secs Computing kpt #: 312 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 490.3 secs Computing kpt #: 313 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 492.4 secs Computing kpt #: 314 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 494.6 secs Computing kpt #: 315 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 496.9 secs Computing kpt #: 316 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 499.1 secs Computing kpt #: 317 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 501.4 secs Computing kpt #: 318 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 503.6 secs Computing kpt #: 319 total cpu time spent up to now is 505.4 secs Computing kpt #: 320 total cpu time spent up to now is 507.2 secs Computing kpt #: 321 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 509.4 secs Computing kpt #: 322 total cpu time spent up to now is 510.7 secs Computing kpt #: 323 total cpu time spent up to now is 511.8 secs Computing kpt #: 324 total cpu time spent up to now is 512.9 secs Computing kpt #: 325 total cpu time spent up to now is 514.1 secs Computing kpt #: 326 total cpu time spent up to now is 515.3 secs Computing kpt #: 327 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 517.3 secs Computing kpt #: 328 total cpu time spent up to now is 518.9 secs Computing kpt #: 329 total cpu time spent up to now is 520.4 secs Computing kpt #: 330 total cpu time spent up to now is 522.0 secs Computing kpt #: 331 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 524.1 secs Computing kpt #: 332 total cpu time spent up to now is 525.7 secs Computing kpt #: 333 total cpu time spent up to now is 526.9 secs Computing kpt #: 334 total cpu time spent up to now is 528.3 secs Computing kpt #: 335 total cpu time spent up to now is 529.4 secs Computing kpt #: 336 total cpu time spent up to now is 530.7 secs Computing kpt #: 337 total cpu time spent up to now is 532.0 secs Computing kpt #: 338 total cpu time spent up to now is 533.1 secs Computing kpt #: 339 total cpu time spent up to now is 534.2 secs Computing kpt #: 340 total cpu time spent up to now is 535.5 secs Computing kpt #: 341 total cpu time spent up to now is 536.7 secs Computing kpt #: 342 total cpu time spent up to now is 537.8 secs Computing kpt #: 343 total cpu time spent up to now is 538.9 secs Computing kpt #: 344 total cpu time spent up to now is 540.0 secs Computing kpt #: 345 total cpu time spent up to now is 541.2 secs Computing kpt #: 346 total cpu time spent up to now is 542.3 secs Computing kpt #: 347 total cpu time spent up to now is 543.4 secs Computing kpt #: 348 total cpu time spent up to now is 544.6 secs ethr = 2.08E-08, avg # of iterations = 69.0 total cpu time spent up to now is 544.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7935 PWs) bands (ev): -36.9491 -36.9491 -36.9485 -36.9485 -18.2305 -18.2305 -18.2120 -18.2120 -17.8680 -17.8680 -17.8409 -17.8409 -17.8393 -17.8393 -17.8295 -17.8295 -11.0312 -11.0312 -10.6579 -10.6579 -10.5960 -10.5960 -10.5911 -10.5911 -0.7313 -0.7313 0.2116 0.2116 0.5063 0.5063 0.5141 0.5141 0.9243 0.9243 1.0442 1.0442 1.0988 1.0988 1.1124 1.1124 1.6169 1.6169 2.1180 2.1180 2.2467 2.2467 2.2663 2.2663 6.7531 6.7531 6.9502 6.9502 7.2386 7.2386 7.6409 7.6409 7.7040 7.7040 k = 0.0135-0.0000-0.0000 ( 7937 PWs) bands (ev): -36.9491 -36.9491 -36.9485 -36.9485 -18.2305 -18.2305 -18.2120 -18.2120 -17.8679 -17.8679 -17.8410 -17.8410 -17.8393 -17.8393 -17.8296 -17.8296 -11.0308 -11.0308 -10.6578 -10.6578 -10.5961 -10.5961 -10.5911 -10.5911 -0.7304 -0.7304 0.2121 0.2121 0.5058 0.5058 0.5147 0.5147 0.9229 0.9229 1.0435 1.0435 1.0978 1.0978 1.1136 1.1136 1.6148 1.6148 2.1160 2.1160 2.2461 2.2461 2.2654 2.2654 6.7558 6.7558 6.9552 6.9552 7.2398 7.2398 7.6394 7.6394 7.7035 7.7035 k = 0.0270-0.0000-0.0000 ( 7927 PWs) bands (ev): -36.9491 -36.9491 -36.9485 -36.9485 -18.2306 -18.2306 -18.2121 -18.2121 -17.8678 -17.8678 -17.8412 -17.8412 -17.8393 -17.8393 -17.8298 -17.8298 -11.0295 -11.0295 -10.6575 -10.6575 -10.5962 -10.5962 -10.5913 -10.5913 -0.7276 -0.7276 0.2135 0.2135 0.5042 0.5042 0.5163 0.5163 0.9188 0.9188 1.0410 1.0410 1.0954 1.0954 1.1169 1.1169 1.6084 1.6084 2.1099 2.1099 2.2442 2.2442 2.2627 2.2627 6.7639 6.7639 6.9700 6.9700 7.2434 7.2434 7.6351 7.6351 7.7019 7.7020 k = 0.0405-0.0000-0.0000 ( 7929 PWs) bands (ev): -36.9491 -36.9491 -36.9485 -36.9485 -18.2306 -18.2306 -18.2122 -18.2122 -17.8677 -17.8677 -17.8415 -17.8415 -17.8392 -17.8392 -17.8301 -17.8301 -11.0275 -11.0275 -10.6570 -10.6570 -10.5965 -10.5965 -10.5916 -10.5916 -0.7231 -0.7231 0.2158 0.2158 0.5018 0.5018 0.5189 0.5189 0.9123 0.9123 1.0364 1.0364 1.0924 1.0924 1.1217 1.1217 1.5976 1.5976 2.1001 2.1001 2.2411 2.2411 2.2582 2.2582 6.7772 6.7772 6.9944 6.9944 7.2493 7.2493 7.6283 7.6283 7.6994 7.6994 k = 0.0541-0.0000-0.0000 ( 7929 PWs) bands (ev): -36.9490 -36.9490 -36.9485 -36.9485 -18.2306 -18.2306 -18.2124 -18.2124 -17.8674 -17.8674 -17.8419 -17.8419 -17.8392 -17.8392 -17.8306 -17.8306 -11.0246 -11.0246 -10.6562 -10.6562 -10.5968 -10.5968 -10.5920 -10.5920 -0.7168 -0.7168 0.2190 0.2190 0.4986 0.4986 0.5223 0.5223 0.9037 0.9037 1.0291 1.0291 1.0895 1.0895 1.1276 1.1276 1.5825 1.5825 2.0868 2.0868 2.2367 2.2367 2.2519 2.2519 6.7956 6.7956 7.0281 7.0281 7.2577 7.2577 7.6197 7.6197 7.6960 7.6960 k = 0.0676-0.0000-0.0000 ( 7937 PWs) bands (ev): -36.9490 -36.9490 -36.9484 -36.9484 -18.2307 -18.2307 -18.2127 -18.2127 -17.8672 -17.8672 -17.8424 -17.8424 -17.8392 -17.8392 -17.8313 -17.8313 -11.0209 -11.0209 -10.6554 -10.6554 -10.5973 -10.5973 -10.5925 -10.5925 -0.7088 -0.7088 0.2230 0.2230 0.4946 0.4946 0.5267 0.5267 0.8934 0.8934 1.0186 1.0186 1.0873 1.0873 1.1344 1.1344 1.5631 1.5631 2.0705 2.0705 2.2309 2.2309 2.2439 2.2439 6.8188 6.8188 7.0705 7.0705 7.2685 7.2685 7.6100 7.6100 7.6917 7.6917 k = 0.0811-0.0000-0.0000 ( 7925 PWs) bands (ev): -36.9490 -36.9490 -36.9484 -36.9484 -18.2308 -18.2308 -18.2129 -18.2129 -17.8668 -17.8668 -17.8430 -17.8430 -17.8391 -17.8391 -17.8320 -17.8320 -11.0164 -11.0164 -10.6543 -10.6543 -10.5978 -10.5978 -10.5931 -10.5931 -0.6990 -0.6990 0.2277 0.2277 0.4898 0.4898 0.5320 0.5320 0.8818 0.8818 1.0052 1.0052 1.0858 1.0858 1.1415 1.1415 1.5393 1.5393 2.0516 2.0516 2.2238 2.2238 2.2343 2.2343 6.8465 6.8465 7.1209 7.1209 7.2820 7.2820 7.5998 7.5998 7.6869 7.6869 k = 0.0946-0.0000-0.0000 ( 7925 PWs) bands (ev): -36.9490 -36.9490 -36.9484 -36.9484 -18.2308 -18.2308 -18.2132 -18.2132 -17.8664 -17.8664 -17.8438 -17.8438 -17.8390 -17.8390 -17.8329 -17.8329 -11.0112 -11.0112 -10.6531 -10.6531 -10.5985 -10.5985 -10.5938 -10.5938 -0.6875 -0.6875 0.2331 0.2331 0.4844 0.4844 0.5383 0.5383 0.8691 0.8691 0.9891 0.9891 1.0851 1.0851 1.1489 1.1489 1.5113 1.5113 2.0307 2.0307 2.2151 2.2151 2.2229 2.2229 6.8782 6.8782 7.1780 7.1780 7.2986 7.2986 7.5898 7.5898 7.6816 7.6817 k = 0.1081-0.0000-0.0000 ( 7919 PWs) bands (ev): -36.9489 -36.9489 -36.9483 -36.9483 -18.2309 -18.2309 -18.2136 -18.2136 -17.8659 -17.8659 -17.8446 -17.8446 -17.8389 -17.8389 -17.8338 -17.8338 -11.0052 -11.0052 -10.6518 -10.6518 -10.5992 -10.5992 -10.5946 -10.5946 -0.6743 -0.6743 0.2391 0.2391 0.4782 0.4782 0.5455 0.5455 0.8555 0.8555 0.9709 0.9709 1.0850 1.0850 1.1560 1.1560 1.4793 1.4793 2.0083 2.0083 2.2050 2.2050 2.2102 2.2102 6.9135 6.9135 7.2390 7.2390 7.3203 7.3203 7.5806 7.5806 7.6763 7.6763 k = 0.1216-0.0000-0.0000 ( 7921 PWs) bands (ev): -36.9489 -36.9489 -36.9483 -36.9483 -18.2310 -18.2310 -18.2141 -18.2141 -17.8654 -17.8654 -17.8456 -17.8456 -17.8388 -17.8388 -17.8349 -17.8349 -10.9985 -10.9985 -10.6504 -10.6504 -10.6000 -10.6000 -10.5955 -10.5955 -0.6596 -0.6596 0.2455 0.2455 0.4714 0.4714 0.5537 0.5537 0.8410 0.8410 0.9514 0.9514 1.0852 1.0852 1.1628 1.1628 1.4434 1.4434 1.9846 1.9846 2.1929 2.1929 2.1963 2.1963 6.9521 6.9521 7.2950 7.2950 7.3551 7.3551 7.5727 7.5727 7.6711 7.6711 k = 0.1351-0.0000-0.0000 ( 7917 PWs) bands (ev): -36.9488 -36.9488 -36.9483 -36.9483 -18.2311 -18.2311 -18.2145 -18.2145 -17.8648 -17.8648 -17.8466 -17.8466 -17.8387 -17.8387 -17.8361 -17.8361 -10.9912 -10.9912 -10.6489 -10.6489 -10.6009 -10.6009 -10.5965 -10.5965 -0.6432 -0.6432 0.2523 0.2523 0.4640 0.4640 0.5629 0.5629 0.8258 0.8258 0.9311 0.9311 1.0856 1.0856 1.1687 1.1687 1.4042 1.4042 1.9602 1.9602 2.1781 2.1781 2.1823 2.1823 6.9934 6.9934 7.3325 7.3325 7.4149 7.4149 7.5666 7.5666 7.6670 7.6670 k = 0.1486-0.0000-0.0000 ( 7921 PWs) bands (ev): -36.9488 -36.9488 -36.9482 -36.9482 -18.2312 -18.2312 -18.2151 -18.2151 -17.8642 -17.8642 -17.8477 -17.8477 -17.8386 -17.8386 -17.8374 -17.8374 -10.9832 -10.9832 -10.6473 -10.6473 -10.6018 -10.6018 -10.5975 -10.5975 -0.6254 -0.6254 0.2593 0.2593 0.4560 0.4560 0.5731 0.5731 0.8098 0.8098 0.9109 0.9109 1.0859 1.0859 1.1735 1.1735 1.3624 1.3624 1.9353 1.9353 2.1610 2.1610 2.1677 2.1677 7.0369 7.0369 7.3598 7.3598 7.4890 7.4890 7.5628 7.5628 7.6653 7.6653 k = 0.1622-0.0000-0.0000 ( 7913 PWs) bands (ev): -36.9487 -36.9487 -36.9482 -36.9482 -18.2314 -18.2314 -18.2156 -18.2156 -17.8635 -17.8635 -17.8489 -17.8489 -17.8389 -17.8389 -17.8383 -17.8383 -10.9745 -10.9745 -10.6458 -10.6458 -10.6029 -10.6029 -10.5986 -10.5986 -0.6061 -0.6061 0.2663 0.2663 0.4473 0.4473 0.5841 0.5841 0.7931 0.7931 0.8913 0.8913 1.0862 1.0862 1.1761 1.1761 1.3191 1.3191 1.9102 1.9102 2.1425 2.1425 2.1519 2.1519 7.0821 7.0821 7.3848 7.3848 7.5540 7.5540 7.5711 7.5711 7.6710 7.6711 k = 0.1757-0.0000-0.0000 ( 7913 PWs) bands (ev): -36.9486 -36.9486 -36.9481 -36.9481 -18.2315 -18.2315 -18.2162 -18.2162 -17.8628 -17.8628 -17.8501 -17.8501 -17.8402 -17.8402 -17.8383 -17.8383 -10.9653 -10.9653 -10.6442 -10.6442 -10.6039 -10.6039 -10.5998 -10.5998 -0.5854 -0.5854 0.2732 0.2732 0.4380 0.4380 0.5958 0.5958 0.7760 0.7760 0.8730 0.8730 1.0862 1.0862 1.1741 1.1741 1.2772 1.2772 1.8852 1.8852 2.1226 2.1226 2.1348 2.1348 7.1285 7.1285 7.4093 7.4093 7.5591 7.5591 7.6183 7.6183 7.6909 7.6909 k = 0.1892-0.0000-0.0000 ( 7901 PWs) bands (ev): -36.9486 -36.9486 -36.9481 -36.9481 -18.2317 -18.2317 -18.2168 -18.2168 -17.8621 -17.8621 -17.8514 -17.8514 -17.8416 -17.8416 -17.8382 -17.8382 -10.9556 -10.9556 -10.6427 -10.6427 -10.6050 -10.6050 -10.6010 -10.6010 -0.5634 -0.5634 0.2799 0.2799 0.4280 0.4280 0.6080 0.6080 0.7591 0.7591 0.8563 0.8563 1.0856 1.0856 1.1611 1.1611 1.2438 1.2438 1.8603 1.8603 2.1016 2.1016 2.1163 2.1163 7.1757 7.1757 7.4331 7.4331 7.5620 7.5620 7.6356 7.6356 7.6938 7.6938 k = 0.2027-0.0000-0.0000 ( 7885 PWs) bands (ev): -36.9485 -36.9485 -36.9480 -36.9480 -18.2318 -18.2318 -18.2175 -18.2175 -17.8613 -17.8613 -17.8527 -17.8527 -17.8431 -17.8431 -17.8380 -17.8380 -10.9454 -10.9454 -10.6413 -10.6413 -10.6062 -10.6062 -10.6023 -10.6023 -0.5402 -0.5402 0.2861 0.2861 0.4172 0.4172 0.6199 0.6199 0.7433 0.7433 0.8414 0.8414 1.0835 1.0835 1.1307 1.1307 1.2265 1.2265 1.8358 1.8358 2.0797 2.0797 2.0965 2.0965 7.2233 7.2233 7.4554 7.4554 7.5669 7.5669 7.6451 7.6451 7.6977 7.6977 k = 0.2162-0.0000-0.0000 ( 7877 PWs) bands (ev): -36.9484 -36.9484 -36.9480 -36.9480 -18.2320 -18.2320 -18.2182 -18.2182 -17.8605 -17.8605 -17.8540 -17.8540 -17.8446 -17.8446 -17.8379 -17.8379 -10.9347 -10.9347 -10.6400 -10.6400 -10.6074 -10.6074 -10.6036 -10.6036 -0.5159 -0.5159 0.2919 0.2919 0.4057 0.4057 0.6302 0.6302 0.7303 0.7303 0.8285 0.8285 1.0703 1.0703 1.0977 1.0977 1.2204 1.2204 1.8119 1.8119 2.0568 2.0568 2.0753 2.0753 7.2709 7.2709 7.4751 7.4751 7.5740 7.5740 7.6569 7.6569 7.7036 7.7036 k = 0.2297-0.0000-0.0000 ( 7879 PWs) bands (ev): -36.9484 -36.9484 -36.9479 -36.9479 -18.2322 -18.2322 -18.2189 -18.2189 -17.8597 -17.8597 -17.8553 -17.8553 -17.8461 -17.8461 -17.8378 -17.8378 -10.9237 -10.9237 -10.6389 -10.6389 -10.6086 -10.6086 -10.6050 -10.6050 -0.4905 -0.4905 0.2969 0.2969 0.3934 0.3934 0.6365 0.6365 0.7230 0.7230 0.8177 0.8177 1.0270 1.0270 1.0888 1.0888 1.2181 1.2181 1.7888 1.7888 2.0332 2.0332 2.0529 2.0529 7.3182 7.3182 7.4912 7.4912 7.5831 7.5831 7.6740 7.6740 7.7114 7.7114 k = 0.2432-0.0000-0.0000 ( 7888 PWs) bands (ev): -36.9483 -36.9483 -36.9479 -36.9479 -18.2324 -18.2324 -18.2196 -18.2196 -17.8590 -17.8590 -17.8566 -17.8566 -17.8476 -17.8476 -17.8377 -17.8377 -10.9123 -10.9123 -10.6380 -10.6380 -10.6098 -10.6098 -10.6064 -10.6064 -0.4642 -0.4642 0.3012 0.3012 0.3802 0.3802 0.6366 0.6366 0.7234 0.7234 0.8091 0.8091 0.9753 0.9753 1.0858 1.0858 1.2166 1.2166 1.7665 1.7665 2.0089 2.0089 2.0293 2.0293 7.3648 7.3648 7.5035 7.5035 7.5941 7.5941 7.6972 7.6972 7.7211 7.7211 k = 0.2568-0.0000-0.0000 ( 7892 PWs) bands (ev): -36.9482 -36.9482 -36.9478 -36.9478 -18.2326 -18.2326 -18.2204 -18.2204 -17.8586 -17.8586 -17.8576 -17.8576 -17.8491 -17.8491 -17.8377 -17.8377 -10.9006 -10.9006 -10.6373 -10.6373 -10.6110 -10.6110 -10.6077 -10.6077 -0.4371 -0.4371 0.3046 0.3046 0.3663 0.3663 0.6313 0.6313 0.7301 0.7301 0.8034 0.8034 0.9227 0.9227 1.0832 1.0832 1.2148 1.2148 1.7454 1.7454 1.9839 1.9839 2.0047 2.0047 7.4106 7.4106 7.5126 7.5126 7.6069 7.6069 7.7242 7.7242 7.7345 7.7345 k = 0.2703-0.0000-0.0000 ( 7884 PWs) bands (ev): -36.9482 -36.9482 -36.9477 -36.9477 -18.2327 -18.2327 -18.2212 -18.2212 -17.8594 -17.8594 -17.8574 -17.8574 -17.8504 -17.8504 -17.8376 -17.8376 -10.8887 -10.8887 -10.6369 -10.6369 -10.6122 -10.6122 -10.6091 -10.6091 -0.4092 -0.4092 0.3071 0.3071 0.3517 0.3517 0.6233 0.6233 0.7380 0.7380 0.8011 0.8011 0.8723 0.8723 1.0803 1.0803 1.2122 1.2122 1.7256 1.7256 1.9582 1.9582 1.9794 1.9794 7.4555 7.4555 7.5196 7.5196 7.6212 7.6212 7.7418 7.7418 7.7637 7.7637 k = 0.2838-0.0000-0.0000 ( 7888 PWs) bands (ev): -36.9481 -36.9481 -36.9477 -36.9477 -18.2329 -18.2329 -18.2220 -18.2220 -17.8606 -17.8606 -17.8571 -17.8571 -17.8514 -17.8514 -17.8376 -17.8376 -10.8766 -10.8766 -10.6368 -10.6368 -10.6134 -10.6134 -10.6105 -10.6105 -0.3807 -0.3807 0.3086 0.3086 0.3368 0.3368 0.6150 0.6150 0.7415 0.7415 0.7941 0.7941 0.8364 0.8364 1.0769 1.0769 1.2087 1.2087 1.7073 1.7073 1.9315 1.9315 1.9537 1.9537 7.4990 7.4990 7.5257 7.5257 7.6368 7.6368 7.7554 7.7554 7.8018 7.8018 k = 0.2973-0.0000-0.0000 ( 7890 PWs) bands (ev): -36.9480 -36.9480 -36.9476 -36.9476 -18.2331 -18.2331 -18.2228 -18.2228 -17.8618 -17.8618 -17.8572 -17.8572 -17.8519 -17.8519 -17.8376 -17.8376 -10.8643 -10.8643 -10.6370 -10.6370 -10.6146 -10.6146 -10.6118 -10.6118 -0.3517 -0.3517 0.3088 0.3088 0.3219 0.3219 0.6072 0.6072 0.7318 0.7318 0.7658 0.7658 0.8396 0.8396 1.0730 1.0730 1.2039 1.2039 1.6907 1.6907 1.9037 1.9037 1.9281 1.9281 7.5312 7.5312 7.5417 7.5417 7.6534 7.6534 7.7692 7.7692 7.8436 7.8436 k = 0.3108-0.0000-0.0000 ( 7898 PWs) bands (ev): -36.9479 -36.9479 -36.9476 -36.9476 -18.2332 -18.2332 -18.2236 -18.2236 -17.8630 -17.8630 -17.8578 -17.8578 -17.8519 -17.8519 -17.8376 -17.8376 -10.8520 -10.8520 -10.6376 -10.6376 -10.6157 -10.6157 -10.6132 -10.6132 -0.3223 -0.3223 0.3055 0.3055 0.3096 0.3096 0.6001 0.6001 0.6953 0.6953 0.7523 0.7523 0.8593 0.8593 1.0688 1.0688 1.1980 1.1980 1.6759 1.6759 1.8744 1.8744 1.9031 1.9031 7.5377 7.5377 7.5824 7.5824 7.6709 7.6709 7.7832 7.7832 7.8880 7.8880 k = 0.3243-0.0000-0.0000 ( 7888 PWs) bands (ev): -36.9479 -36.9479 -36.9475 -36.9475 -18.2334 -18.2334 -18.2244 -18.2244 -17.8641 -17.8641 -17.8588 -17.8588 -17.8514 -17.8514 -17.8376 -17.8376 -10.8396 -10.8396 -10.6386 -10.6386 -10.6168 -10.6168 -10.6144 -10.6144 -0.2926 -0.2926 0.2922 0.2922 0.3066 0.3066 0.5924 0.5924 0.6515 0.6515 0.7468 0.7468 0.8846 0.8846 1.0641 1.0641 1.1909 1.1909 1.6631 1.6631 1.8436 1.8436 1.8789 1.8789 7.5449 7.5449 7.6218 7.6218 7.6890 7.6890 7.7973 7.7973 7.9344 7.9344 k = 0.3378-0.0000-0.0000 ( 7884 PWs) bands (ev): -36.9478 -36.9478 -36.9475 -36.9475 -18.2335 -18.2335 -18.2252 -18.2252 -17.8651 -17.8651 -17.8600 -17.8600 -17.8507 -17.8507 -17.8377 -17.8377 -10.8273 -10.8273 -10.6401 -10.6401 -10.6179 -10.6179 -10.6157 -10.6157 -0.2627 -0.2627 0.2789 0.2789 0.3031 0.3031 0.5764 0.5764 0.6174 0.6174 0.7422 0.7422 0.9128 0.9128 1.0592 1.0592 1.1827 1.1827 1.6522 1.6522 1.8113 1.8113 1.8556 1.8556 7.5534 7.5534 7.6596 7.6596 7.7074 7.7074 7.8111 7.8111 7.9824 7.9824 k = 0.3514-0.0000-0.0000 ( 7886 PWs) bands (ev): -36.9477 -36.9477 -36.9474 -36.9474 -18.2336 -18.2336 -18.2260 -18.2260 -17.8660 -17.8660 -17.8612 -17.8612 -17.8500 -17.8500 -17.8378 -17.8378 -10.8151 -10.8151 -10.6420 -10.6420 -10.6189 -10.6189 -10.6168 -10.6168 -0.2329 -0.2329 0.2669 0.2669 0.2982 0.2982 0.5417 0.5417 0.6050 0.6050 0.7378 0.7378 0.9431 0.9431 1.0541 1.0541 1.1736 1.1736 1.6434 1.6434 1.7778 1.7778 1.8334 1.8334 7.5633 7.5633 7.6955 7.6955 7.7260 7.7260 7.8243 7.8243 8.0314 8.0314 k = 0.3649-0.0000-0.0000 ( 7896 PWs) bands (ev): -36.9477 -36.9477 -36.9474 -36.9474 -18.2337 -18.2337 -18.2268 -18.2268 -17.8669 -17.8669 -17.8624 -17.8624 -17.8491 -17.8491 -17.8380 -17.8380 -10.8030 -10.8030 -10.6444 -10.6444 -10.6198 -10.6198 -10.6180 -10.6180 -0.2030 -0.2030 0.2563 0.2563 0.2915 0.2915 0.5007 0.5007 0.6026 0.6026 0.7333 0.7333 0.9748 0.9748 1.0492 1.0492 1.1639 1.1639 1.6366 1.6366 1.7431 1.7431 1.8121 1.8121 7.5747 7.5747 7.7289 7.7289 7.7451 7.7451 7.8368 7.8368 8.0807 8.0807 k = 0.3784-0.0000-0.0000 ( 7902 PWs) bands (ev): -36.9476 -36.9476 -36.9474 -36.9474 -18.2337 -18.2337 -18.2275 -18.2275 -17.8677 -17.8677 -17.8636 -17.8636 -17.8483 -17.8483 -17.8382 -17.8382 -10.7910 -10.7910 -10.6473 -10.6473 -10.6207 -10.6207 -10.6190 -10.6190 -0.1733 -0.1733 0.2475 0.2475 0.2828 0.2828 0.4607 0.4607 0.6035 0.6035 0.7287 0.7287 1.0073 1.0073 1.0449 1.0449 1.1538 1.1538 1.6316 1.6316 1.7074 1.7074 1.7920 1.7920 7.5878 7.5878 7.7566 7.7566 7.7673 7.7673 7.8484 7.8484 8.1239 8.1240 k = 0.3919-0.0000-0.0000 ( 7910 PWs) bands (ev): -36.9476 -36.9476 -36.9473 -36.9473 -18.2338 -18.2338 -18.2282 -18.2282 -17.8684 -17.8684 -17.8647 -17.8647 -17.8475 -17.8475 -17.8384 -17.8384 -10.7793 -10.7793 -10.6508 -10.6508 -10.6215 -10.6215 -10.6200 -10.6200 -0.1439 -0.1439 0.2406 0.2406 0.2715 0.2715 0.4234 0.4234 0.6063 0.6063 0.7238 0.7238 1.0353 1.0353 1.0455 1.0455 1.1444 1.1444 1.6285 1.6285 1.6710 1.6710 1.7728 1.7728 7.6027 7.6027 7.7762 7.7762 7.7942 7.7942 7.8590 7.8590 8.0969 8.0969 k = 0.4054-0.0000-0.0000 ( 7914 PWs) bands (ev): -36.9475 -36.9475 -36.9473 -36.9473 -18.2337 -18.2337 -18.2289 -18.2289 -17.8690 -17.8690 -17.8657 -17.8657 -17.8467 -17.8467 -17.8387 -17.8387 -10.7679 -10.7679 -10.6548 -10.6548 -10.6222 -10.6222 -10.6208 -10.6208 -0.1147 -0.1147 0.2358 0.2358 0.2571 0.2571 0.3899 0.3899 0.6106 0.6106 0.7184 0.7184 1.0359 1.0359 1.0721 1.0721 1.1381 1.1381 1.6253 1.6253 1.6355 1.6355 1.7548 1.7548 7.6192 7.6192 7.7930 7.7930 7.8191 7.8191 7.8687 7.8687 8.0681 8.0681 k = 0.4189-0.0000-0.0000 ( 7918 PWs) bands (ev): -36.9475 -36.9475 -36.9473 -36.9473 -18.2337 -18.2337 -18.2296 -18.2296 -17.8695 -17.8695 -17.8666 -17.8666 -17.8459 -17.8459 -17.8390 -17.8390 -10.7567 -10.7567 -10.6593 -10.6593 -10.6228 -10.6228 -10.6216 -10.6216 -0.0858 -0.0858 0.2329 0.2329 0.2395 0.2395 0.3609 0.3609 0.6162 0.6162 0.7126 0.7126 1.0338 1.0338 1.0909 1.0909 1.1441 1.1441 1.5944 1.5944 1.6288 1.6288 1.7380 1.7380 7.6375 7.6375 7.8083 7.8083 7.8385 7.8385 7.8774 7.8774 8.0439 8.0439 k = 0.4324-0.0000-0.0000 ( 7920 PWs) bands (ev): -36.9475 -36.9475 -36.9473 -36.9473 -18.2336 -18.2336 -18.2302 -18.2302 -17.8698 -17.8698 -17.8674 -17.8674 -17.8451 -17.8451 -17.8393 -17.8393 -10.7460 -10.7460 -10.6644 -10.6644 -10.6233 -10.6233 -10.6223 -10.6223 -0.0573 -0.0573 0.2171 0.2171 0.2333 0.2333 0.3366 0.3366 0.6228 0.6228 0.7061 0.7061 1.0328 1.0328 1.0912 1.0912 1.1697 1.1697 1.5560 1.5560 1.6305 1.6305 1.7223 1.7223 7.6574 7.6574 7.8222 7.8222 7.8500 7.8500 7.8840 7.8840 8.0281 8.0281 k = 0.4459-0.0000-0.0000 ( 7928 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2335 -18.2335 -18.2307 -18.2307 -17.8701 -17.8701 -17.8682 -17.8682 -17.8443 -17.8443 -17.8397 -17.8397 -10.7356 -10.7356 -10.6701 -10.6701 -10.6237 -10.6237 -10.6229 -10.6229 -0.0290 -0.0290 0.1927 0.1927 0.2350 0.2350 0.3165 0.3165 0.6303 0.6303 0.6989 0.6989 1.0332 1.0332 1.0837 1.0837 1.2041 1.2041 1.5170 1.5170 1.6339 1.6339 1.7077 1.7077 7.6788 7.6788 7.8340 7.8340 7.8526 7.8526 7.8860 7.8860 8.0248 8.0248 k = 0.4595-0.0000-0.0000 ( 7924 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2333 -18.2333 -18.2312 -18.2312 -17.8702 -17.8702 -17.8688 -17.8688 -17.8436 -17.8436 -17.8401 -17.8401 -10.7256 -10.7256 -10.6764 -10.6764 -10.6240 -10.6240 -10.6234 -10.6234 -0.0010 -0.0010 0.1662 0.1662 0.2388 0.2388 0.2996 0.2996 0.6385 0.6385 0.6912 0.6912 1.0350 1.0350 1.0745 1.0745 1.2413 1.2413 1.4776 1.4776 1.6387 1.6387 1.6943 1.6943 7.7017 7.7017 7.8375 7.8375 7.8517 7.8517 7.8843 7.8843 8.0341 8.0341 k = 0.4730-0.0000-0.0000 ( 7922 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2331 -18.2331 -18.2317 -18.2317 -17.8703 -17.8703 -17.8693 -17.8693 -17.8429 -17.8429 -17.8406 -17.8406 -10.7161 -10.7161 -10.6833 -10.6833 -10.6242 -10.6242 -10.6238 -10.6238 0.0269 0.0269 0.1387 0.1387 0.2447 0.2447 0.2852 0.2852 0.6471 0.6471 0.6829 0.6829 1.0383 1.0383 1.0654 1.0654 1.2798 1.2798 1.4380 1.4380 1.6449 1.6449 1.6820 1.6820 7.7257 7.7257 7.8225 7.8225 7.8588 7.8588 7.8815 7.8815 8.0520 8.0520 k = 0.4865-0.0000-0.0000 ( 7910 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2328 -18.2328 -18.2321 -18.2321 -17.8702 -17.8702 -17.8697 -17.8697 -17.8423 -17.8423 -17.8411 -17.8411 -10.7071 -10.7071 -10.6907 -10.6907 -10.6242 -10.6242 -10.6240 -10.6240 0.0548 0.0548 0.1108 0.1108 0.2523 0.2523 0.2726 0.2726 0.6561 0.6561 0.6742 0.6742 1.0432 1.0432 1.0569 1.0569 1.3190 1.3190 1.3982 1.3982 1.6524 1.6524 1.6710 1.6710 7.7506 7.7506 7.8004 7.8004 7.8665 7.8665 7.8779 7.8779 8.0747 8.0747 k = 0.5000-0.0000-0.0000 ( 7910 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2326 -18.2326 -18.2324 -18.2324 -17.8701 -17.8701 -17.8699 -17.8699 -17.8418 -17.8418 -17.8416 -17.8416 -10.6986 -10.6986 -10.6986 -10.6986 -10.6242 -10.6242 -10.6242 -10.6242 0.0828 0.0828 0.0828 0.0828 0.2617 0.2617 0.2617 0.2617 0.6652 0.6652 0.6652 0.6652 1.0494 1.0494 1.0495 1.0495 1.3585 1.3585 1.3585 1.3585 1.6611 1.6611 1.6611 1.6611 7.7757 7.7757 7.7758 7.7758 7.8729 7.8729 7.8730 7.8730 8.0999 8.0999 k = 0.5000-0.0000-0.0000 ( 7910 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2326 -18.2326 -18.2324 -18.2324 -17.8701 -17.8701 -17.8699 -17.8699 -17.8418 -17.8418 -17.8416 -17.8416 -10.6986 -10.6986 -10.6986 -10.6986 -10.6242 -10.6242 -10.6242 -10.6242 0.0828 0.0828 0.0828 0.0828 0.2617 0.2617 0.2617 0.2617 0.6652 0.6652 0.6652 0.6652 1.0494 1.0494 1.0495 1.0495 1.3585 1.3585 1.3585 1.3585 1.6611 1.6611 1.6611 1.6611 7.7757 7.7757 7.7758 7.7758 7.8729 7.8729 7.8730 7.8730 8.0998 8.0999 k = 0.5000 0.0137-0.0000 ( 7908 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2329 -18.2329 -18.2321 -18.2321 -17.8706 -17.8706 -17.8694 -17.8694 -17.8418 -17.8418 -17.8415 -17.8415 -10.6986 -10.6986 -10.6986 -10.6986 -10.6244 -10.6244 -10.6241 -10.6241 0.0777 0.0777 0.0871 0.0871 0.2603 0.2603 0.2623 0.2623 0.6545 0.6545 0.6758 0.6758 1.0431 1.0431 1.0549 1.0549 1.3504 1.3504 1.3693 1.3693 1.6600 1.6600 1.6629 1.6629 7.7666 7.7666 7.7759 7.7760 7.8683 7.8683 7.8802 7.8802 8.1016 8.1045 k = 0.5000 0.0275-0.0000 ( 7908 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2333 -18.2333 -18.2317 -18.2317 -17.8711 -17.8711 -17.8689 -17.8689 -17.8419 -17.8419 -17.8414 -17.8414 -10.6986 -10.6986 -10.6986 -10.6986 -10.6245 -10.6245 -10.6240 -10.6240 0.0720 0.0720 0.0905 0.0905 0.2582 0.2582 0.2624 0.2624 0.6440 0.6440 0.6861 0.6861 1.0360 1.0360 1.0594 1.0594 1.3451 1.3451 1.3823 1.3823 1.6598 1.6598 1.6657 1.6657 7.7508 7.7508 7.7660 7.7660 7.8681 7.8681 7.8879 7.8879 8.1090 8.1150 k = 0.5000 0.0412-0.0000 ( 7936 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2337 -18.2337 -18.2314 -18.2314 -17.8717 -17.8717 -17.8684 -17.8684 -17.8420 -17.8420 -17.8413 -17.8413 -10.6985 -10.6985 -10.6985 -10.6985 -10.6247 -10.6247 -10.6239 -10.6239 0.0658 0.0658 0.0928 0.0928 0.2552 0.2552 0.2620 0.2620 0.6340 0.6340 0.6959 0.6959 1.0282 1.0282 1.0629 1.0629 1.3428 1.3428 1.3969 1.3969 1.6604 1.6604 1.6696 1.6696 7.7299 7.7299 7.7475 7.7475 7.8718 7.8718 7.8952 7.8952 8.1219 8.1236 k = 0.5000 0.0550-0.0000 ( 7940 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2341 -18.2341 -18.2310 -18.2310 -17.8723 -17.8723 -17.8679 -17.8679 -17.8421 -17.8421 -17.8411 -17.8411 -10.6984 -10.6984 -10.6984 -10.6984 -10.6250 -10.6250 -10.6239 -10.6239 0.0593 0.0593 0.0937 0.0937 0.2514 0.2514 0.2615 0.2615 0.6246 0.6246 0.7051 0.7051 1.0198 1.0198 1.0656 1.0656 1.3433 1.3433 1.4127 1.4127 1.6618 1.6618 1.6749 1.6749 7.7054 7.7054 7.7231 7.7231 7.8781 7.8781 7.9023 7.9023 8.1387 8.1450 k = 0.5000 0.0687-0.0000 ( 7940 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2344 -18.2344 -18.2306 -18.2306 -17.8729 -17.8729 -17.8674 -17.8674 -17.8421 -17.8421 -17.8410 -17.8410 -10.6983 -10.6983 -10.6983 -10.6983 -10.6252 -10.6252 -10.6239 -10.6239 0.0525 0.0525 0.0932 0.0932 0.2468 0.2468 0.2610 0.2610 0.6162 0.6162 0.7137 0.7137 1.0108 1.0108 1.0675 1.0675 1.3462 1.3462 1.4287 1.4287 1.6643 1.6643 1.6819 1.6819 7.6781 7.6781 7.6949 7.6949 7.8860 7.8860 7.9096 7.9096 8.1580 8.1613 k = 0.5000 0.0824-0.0000 ( 7936 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2348 -18.2348 -18.2303 -18.2303 -17.8735 -17.8735 -17.8670 -17.8670 -17.8422 -17.8422 -17.8408 -17.8408 -10.6982 -10.6982 -10.6981 -10.6981 -10.6255 -10.6255 -10.6239 -10.6239 0.0455 0.0455 0.0911 0.0911 0.2414 0.2414 0.2606 0.2606 0.6090 0.6090 0.7216 0.7216 1.0012 1.0012 1.0688 1.0688 1.3510 1.3510 1.4443 1.4443 1.6679 1.6679 1.6909 1.6909 7.6487 7.6487 7.6642 7.6642 7.8948 7.8948 7.9172 7.9172 8.1789 8.1806 k = 0.5000 0.0962-0.0000 ( 7936 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2352 -18.2352 -18.2299 -18.2299 -17.8740 -17.8740 -17.8665 -17.8665 -17.8422 -17.8422 -17.8406 -17.8406 -10.6980 -10.6980 -10.6980 -10.6980 -10.6258 -10.6258 -10.6239 -10.6239 0.0383 0.0383 0.0874 0.0874 0.2353 0.2353 0.2606 0.2606 0.6031 0.6031 0.7291 0.7291 0.9912 0.9912 1.0694 1.0694 1.3573 1.3573 1.4589 1.4589 1.6727 1.6727 1.7022 1.7022 7.6179 7.6179 7.6320 7.6320 7.9045 7.9045 7.9254 7.9254 8.2001 8.2002 k = 0.5000 0.1099-0.0000 ( 7932 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2355 -18.2355 -18.2296 -18.2296 -17.8746 -17.8746 -17.8661 -17.8661 -17.8422 -17.8422 -17.8404 -17.8404 -10.6979 -10.6979 -10.6978 -10.6978 -10.6261 -10.6261 -10.6240 -10.6240 0.0311 0.0311 0.0822 0.0822 0.2286 0.2286 0.2609 0.2609 0.5988 0.5988 0.7362 0.7362 0.9807 0.9807 1.0694 1.0694 1.3645 1.3645 1.4719 1.4719 1.6790 1.6790 1.7159 1.7159 7.5862 7.5862 7.5989 7.5989 7.9148 7.9148 7.9342 7.9342 8.2213 8.2215 k = 0.5000 0.1237-0.0000 ( 7920 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2358 -18.2358 -18.2293 -18.2293 -17.8751 -17.8751 -17.8657 -17.8657 -17.8422 -17.8422 -17.8403 -17.8403 -10.6977 -10.6977 -10.6976 -10.6976 -10.6264 -10.6264 -10.6241 -10.6241 0.0240 0.0240 0.0756 0.0756 0.2216 0.2216 0.2615 0.2615 0.5961 0.5961 0.7430 0.7430 0.9697 0.9697 1.0687 1.0687 1.3721 1.3721 1.4830 1.4830 1.6868 1.6868 1.7321 1.7321 7.5540 7.5540 7.5652 7.5652 7.9255 7.9255 7.9436 7.9436 8.2420 8.2422 k = 0.5000 0.1374-0.0000 ( 7912 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2361 -18.2361 -18.2290 -18.2290 -17.8756 -17.8756 -17.8654 -17.8654 -17.8421 -17.8421 -17.8401 -17.8401 -10.6975 -10.6975 -10.6974 -10.6974 -10.6267 -10.6267 -10.6242 -10.6242 0.0169 0.0169 0.0679 0.0679 0.2141 0.2141 0.2624 0.2624 0.5952 0.5952 0.7499 0.7499 0.9582 0.9582 1.0674 1.0674 1.3796 1.3796 1.4921 1.4921 1.6960 1.6960 1.7505 1.7505 7.5218 7.5218 7.5316 7.5316 7.9366 7.9366 7.9534 7.9534 8.2619 8.2620 k = 0.5000 0.1511-0.0000 ( 7906 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2364 -18.2364 -18.2287 -18.2287 -17.8761 -17.8761 -17.8651 -17.8651 -17.8421 -17.8421 -17.8399 -17.8399 -10.6972 -10.6972 -10.6972 -10.6972 -10.6270 -10.6270 -10.6243 -10.6243 0.0099 0.0099 0.0594 0.0594 0.2066 0.2066 0.2634 0.2634 0.5960 0.5960 0.7568 0.7568 0.9460 0.9460 1.0653 1.0653 1.3868 1.3868 1.4993 1.4993 1.7067 1.7067 1.7706 1.7706 7.4899 7.4899 7.4982 7.4982 7.9480 7.9480 7.9635 7.9635 8.2807 8.2812 k = 0.5000 0.1649-0.0000 ( 7900 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2367 -18.2367 -18.2284 -18.2284 -17.8765 -17.8765 -17.8648 -17.8648 -17.8420 -17.8420 -17.8397 -17.8397 -10.6970 -10.6970 -10.6970 -10.6970 -10.6273 -10.6273 -10.6244 -10.6244 0.0031 0.0031 0.0502 0.0502 0.1989 0.1989 0.2644 0.2644 0.5987 0.5987 0.7640 0.7640 0.9333 0.9333 1.0623 1.0623 1.3935 1.3935 1.5049 1.5049 1.7186 1.7186 1.7920 1.7920 7.4586 7.4586 7.4656 7.4656 7.9594 7.9594 7.9739 7.9739 8.2981 8.2982 k = 0.5000 0.1786-0.0000 ( 7900 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2370 -18.2370 -18.2282 -18.2282 -17.8770 -17.8770 -17.8645 -17.8645 -17.8419 -17.8419 -17.8396 -17.8396 -10.6968 -10.6968 -10.6967 -10.6967 -10.6277 -10.6277 -10.6245 -10.6245 -0.0035 -0.0035 0.0408 0.0408 0.1914 0.1914 0.2654 0.2654 0.6032 0.6032 0.7715 0.7715 0.9200 0.9200 1.0585 1.0585 1.3995 1.3995 1.5092 1.5092 1.7315 1.7315 1.8139 1.8139 7.4283 7.4283 7.4339 7.4339 7.9706 7.9706 7.9841 7.9841 8.3141 8.3145 k = 0.5000 0.1923-0.0000 ( 7904 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2373 -18.2373 -18.2279 -18.2279 -17.8774 -17.8774 -17.8643 -17.8643 -17.8419 -17.8419 -17.8394 -17.8394 -10.6966 -10.6966 -10.6965 -10.6965 -10.6280 -10.6280 -10.6246 -10.6246 -0.0098 -0.0098 0.0314 0.0314 0.1840 0.1840 0.2661 0.2661 0.6094 0.6094 0.7794 0.7794 0.9061 0.9061 1.0538 1.0538 1.4048 1.4048 1.5124 1.5124 1.7450 1.7450 1.8359 1.8359 7.3993 7.3993 7.4037 7.4037 7.9816 7.9816 7.9942 7.9942 8.3287 8.3292 k = 0.5000 0.2061-0.0000 ( 7904 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2375 -18.2375 -18.2277 -18.2277 -17.8778 -17.8778 -17.8641 -17.8641 -17.8418 -17.8418 -17.8393 -17.8393 -10.6964 -10.6964 -10.6963 -10.6963 -10.6283 -10.6283 -10.6248 -10.6248 -0.0157 -0.0157 0.0222 0.0222 0.1770 0.1770 0.2667 0.2667 0.6173 0.6173 0.7876 0.7876 0.8915 0.8915 1.0482 1.0482 1.4094 1.4094 1.5147 1.5147 1.7587 1.7587 1.8574 1.8574 7.3720 7.3720 7.3751 7.3751 7.9921 7.9921 8.0040 8.0040 8.3415 8.3425 k = 0.5000 0.2198-0.0000 ( 7924 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2377 -18.2377 -18.2276 -18.2276 -17.8781 -17.8781 -17.8640 -17.8640 -17.8417 -17.8417 -17.8392 -17.8392 -10.6962 -10.6962 -10.6961 -10.6961 -10.6286 -10.6286 -10.6249 -10.6249 -0.0211 -0.0211 0.0135 0.0135 0.1705 0.1705 0.2670 0.2670 0.6268 0.6268 0.7962 0.7962 0.8764 0.8764 1.0418 1.0418 1.4134 1.4134 1.5165 1.5165 1.7723 1.7723 1.8780 1.8780 7.3465 7.3465 7.3484 7.3484 8.0020 8.0020 8.0132 8.0132 8.3529 8.3537 k = 0.5000 0.2336-0.0000 ( 7924 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2379 -18.2379 -18.2274 -18.2274 -17.8784 -17.8784 -17.8638 -17.8638 -17.8417 -17.8417 -17.8391 -17.8391 -10.6960 -10.6960 -10.6959 -10.6959 -10.6288 -10.6288 -10.6250 -10.6250 -0.0261 -0.0261 0.0054 0.0054 0.1645 0.1645 0.2672 0.2672 0.6377 0.6377 0.8049 0.8049 0.8608 0.8608 1.0349 1.0349 1.4168 1.4168 1.5177 1.5177 1.7854 1.7854 1.8971 1.8971 7.3233 7.3233 7.3241 7.3241 8.0112 8.0112 8.0217 8.0217 8.3626 8.3632 k = 0.5000 0.2473-0.0000 ( 7932 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2381 -18.2381 -18.2272 -18.2272 -17.8787 -17.8787 -17.8637 -17.8637 -17.8416 -17.8416 -17.8390 -17.8390 -10.6958 -10.6958 -10.6958 -10.6958 -10.6290 -10.6290 -10.6251 -10.6251 -0.0305 -0.0305 -0.0020 -0.0020 0.1591 0.1591 0.2672 0.2672 0.6500 0.6500 0.8137 0.8137 0.8446 0.8446 1.0275 1.0275 1.4197 1.4197 1.5186 1.5186 1.7975 1.7975 1.9144 1.9144 7.3024 7.3024 7.3026 7.3026 8.0194 8.0194 8.0294 8.0294 8.3709 8.3711 k = 0.5000 0.2610-0.0000 ( 7936 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2383 -18.2383 -18.2271 -18.2271 -17.8789 -17.8789 -17.8636 -17.8636 -17.8415 -17.8415 -17.8389 -17.8389 -10.6957 -10.6957 -10.6956 -10.6956 -10.6292 -10.6292 -10.6252 -10.6252 -0.0344 -0.0344 -0.0084 -0.0084 0.1544 0.1544 0.2671 0.2671 0.6634 0.6634 0.8223 0.8223 0.8281 0.8281 1.0200 1.0200 1.4222 1.4222 1.5193 1.5193 1.8084 1.8084 1.9296 1.9296 7.2835 7.2835 7.2846 7.2846 8.0266 8.0266 8.0362 8.0362 8.3777 8.3783 k = 0.5000 0.2748-0.0000 ( 7940 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2384 -18.2384 -18.2270 -18.2270 -17.8791 -17.8791 -17.8635 -17.8635 -17.8415 -17.8415 -17.8389 -17.8389 -10.6955 -10.6955 -10.6955 -10.6955 -10.6294 -10.6294 -10.6253 -10.6253 -0.0376 -0.0376 -0.0137 -0.0137 0.1505 0.1505 0.2669 0.2669 0.6778 0.6778 0.8112 0.8112 0.8303 0.8303 1.0128 1.0128 1.4241 1.4241 1.5198 1.5198 1.8177 1.8177 1.9425 1.9425 7.2677 7.2677 7.2695 7.2695 8.0327 8.0327 8.0419 8.0419 8.3835 8.3867 k = 0.5000 0.2885-0.0000 ( 7952 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2385 -18.2385 -18.2270 -18.2270 -17.8793 -17.8793 -17.8635 -17.8635 -17.8415 -17.8415 -17.8388 -17.8388 -10.6954 -10.6954 -10.6954 -10.6954 -10.6296 -10.6296 -10.6254 -10.6254 -0.0402 -0.0402 -0.0180 -0.0180 0.1474 0.1474 0.2667 0.2667 0.6930 0.6930 0.7941 0.7941 0.8374 0.8374 1.0063 1.0063 1.4256 1.4256 1.5201 1.5201 1.8252 1.8252 1.9527 1.9527 7.2552 7.2552 7.2576 7.2576 8.0375 8.0375 8.0464 8.0464 8.3875 8.3887 k = 0.5000 0.3023-0.0000 ( 7940 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2385 -18.2385 -18.2269 -18.2269 -17.8794 -17.8794 -17.8634 -17.8634 -17.8414 -17.8414 -17.8388 -17.8388 -10.6954 -10.6954 -10.6953 -10.6953 -10.6297 -10.6297 -10.6254 -10.6254 -0.0420 -0.0420 -0.0211 -0.0211 0.1452 0.1452 0.2666 0.2666 0.7089 0.7089 0.7769 0.7769 0.8430 0.8430 1.0011 1.0011 1.4267 1.4267 1.5204 1.5204 1.8307 1.8307 1.9601 1.9601 7.2461 7.2461 7.2490 7.2490 8.0410 8.0410 8.0497 8.0497 8.3906 8.3933 k = 0.5000 0.3160-0.0000 ( 7950 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2386 -18.2386 -18.2269 -18.2269 -17.8795 -17.8795 -17.8634 -17.8634 -17.8414 -17.8414 -17.8387 -17.8387 -10.6953 -10.6953 -10.6953 -10.6953 -10.6297 -10.6297 -10.6255 -10.6255 -0.0431 -0.0431 -0.0230 -0.0230 0.1439 0.1439 0.2665 0.2665 0.7253 0.7253 0.7597 0.7597 0.8467 0.8467 0.9976 0.9976 1.4273 1.4273 1.5205 1.5205 1.8341 1.8341 1.9646 1.9646 7.2406 7.2406 7.2438 7.2438 8.0431 8.0431 8.0516 8.0516 8.3928 8.3952 k = 0.5000 0.3297-0.0000 ( 7944 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2386 -18.2386 -18.2268 -18.2268 -17.8795 -17.8795 -17.8634 -17.8634 -17.8414 -17.8414 -17.8387 -17.8387 -10.6953 -10.6953 -10.6953 -10.6953 -10.6297 -10.6297 -10.6255 -10.6255 -0.0435 -0.0435 -0.0236 -0.0236 0.1434 0.1434 0.2664 0.2664 0.7399 0.7399 0.7449 0.7449 0.8479 0.8479 0.9964 0.9964 1.4276 1.4276 1.5205 1.5205 1.8352 1.8352 1.9661 1.9661 7.2388 7.2388 7.2420 7.2420 8.0438 8.0438 8.0523 8.0523 8.3928 8.3928 k = 0.5000 0.3297-0.0000 ( 7944 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2386 -18.2386 -18.2268 -18.2268 -17.8795 -17.8795 -17.8634 -17.8634 -17.8414 -17.8414 -17.8387 -17.8387 -10.6953 -10.6953 -10.6953 -10.6953 -10.6297 -10.6297 -10.6255 -10.6255 -0.0435 -0.0435 -0.0236 -0.0236 0.1434 0.1434 0.2664 0.2664 0.7399 0.7399 0.7449 0.7449 0.8479 0.8479 0.9964 0.9964 1.4276 1.4276 1.5205 1.5205 1.8352 1.8352 1.9661 1.9661 7.2388 7.2388 7.2420 7.2420 8.0438 8.0438 8.0523 8.0523 8.3928 8.3928 k = 0.4865 0.3297-0.0000 ( 7942 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2386 -18.2386 -18.2268 -18.2268 -17.8794 -17.8794 -17.8633 -17.8633 -17.8414 -17.8414 -17.8387 -17.8387 -10.6955 -10.6955 -10.6955 -10.6955 -10.6298 -10.6298 -10.6255 -10.6255 -0.0423 -0.0423 -0.0222 -0.0222 0.1426 0.1426 0.2659 0.2659 0.7377 0.7377 0.7459 0.7459 0.8503 0.8503 0.9952 0.9952 1.4282 1.4282 1.5214 1.5214 1.8354 1.8354 1.9661 1.9661 7.2400 7.2400 7.2432 7.2432 8.0439 8.0439 8.0524 8.0524 8.3907 8.3907 k = 0.4730 0.3297-0.0000 ( 7938 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2385 -18.2385 -18.2268 -18.2268 -17.8792 -17.8792 -17.8632 -17.8632 -17.8415 -17.8415 -17.8388 -17.8388 -10.6961 -10.6961 -10.6961 -10.6961 -10.6298 -10.6298 -10.6256 -10.6256 -0.0387 -0.0387 -0.0179 -0.0179 0.1402 0.1402 0.2644 0.2644 0.7317 0.7317 0.7487 0.7487 0.8569 0.8569 0.9918 0.9918 1.4302 1.4302 1.5241 1.5241 1.8362 1.8362 1.9662 1.9662 7.2436 7.2436 7.2468 7.2468 8.0440 8.0440 8.0526 8.0526 8.3842 8.3854 k = 0.4595 0.3297-0.0000 ( 7930 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2383 -18.2383 -18.2267 -18.2267 -17.8789 -17.8789 -17.8630 -17.8630 -17.8415 -17.8415 -17.8389 -17.8389 -10.6971 -10.6971 -10.6971 -10.6971 -10.6299 -10.6299 -10.6257 -10.6257 -0.0327 -0.0327 -0.0108 -0.0108 0.1363 0.1363 0.2620 0.2620 0.7229 0.7229 0.7535 0.7535 0.8666 0.8666 0.9863 0.9863 1.4333 1.4333 1.5282 1.5282 1.8375 1.8375 1.9663 1.9663 7.2495 7.2495 7.2528 7.2528 8.0442 8.0442 8.0529 8.0529 8.3738 8.3742 k = 0.4459 0.3297-0.0000 ( 7920 PWs) bands (ev): -36.9474 -36.9474 -36.9473 -36.9473 -18.2381 -18.2381 -18.2265 -18.2265 -17.8784 -17.8784 -17.8626 -17.8626 -17.8417 -17.8417 -17.8390 -17.8390 -10.6986 -10.6986 -10.6985 -10.6985 -10.6300 -10.6300 -10.6258 -10.6258 -0.0245 -0.0245 -0.0010 -0.0010 0.1309 0.1309 0.2588 0.2588 0.7127 0.7127 0.7600 0.7600 0.8784 0.8784 0.9790 0.9790 1.4375 1.4375 1.5333 1.5333 1.8395 1.8395 1.9666 1.9666 7.2577 7.2577 7.2611 7.2611 8.0445 8.0445 8.0533 8.0533 8.3591 8.3600 k = 0.4324 0.3297-0.0000 ( 7912 PWs) bands (ev): -36.9474 -36.9474 -36.9473 -36.9473 -18.2378 -18.2378 -18.2263 -18.2263 -17.8779 -17.8779 -17.8622 -17.8622 -17.8418 -17.8418 -17.8392 -17.8392 -10.7004 -10.7004 -10.7003 -10.7003 -10.6300 -10.6300 -10.6260 -10.6260 -0.0144 -0.0144 0.0113 0.0113 0.1243 0.1243 0.2548 0.2548 0.7018 0.7018 0.7680 0.7680 0.8915 0.8915 0.9703 0.9703 1.4425 1.4425 1.5391 1.5391 1.8424 1.8424 1.9670 1.9670 7.2681 7.2681 7.2717 7.2717 8.0448 8.0448 8.0538 8.0538 8.3402 8.3414 k = 0.4189 0.3297-0.0000 ( 7916 PWs) bands (ev): -36.9475 -36.9475 -36.9473 -36.9473 -18.2375 -18.2375 -18.2262 -18.2262 -17.8772 -17.8772 -17.8617 -17.8617 -17.8420 -17.8420 -17.8394 -17.8394 -10.7027 -10.7027 -10.7026 -10.7026 -10.6301 -10.6301 -10.6261 -10.6261 -0.0026 -0.0026 0.0260 0.0260 0.1169 0.1169 0.2504 0.2504 0.6910 0.6910 0.7775 0.7775 0.9055 0.9055 0.9606 0.9606 1.4481 1.4481 1.5450 1.5450 1.8464 1.8464 1.9676 1.9676 7.2807 7.2807 7.2844 7.2844 8.0452 8.0452 8.0544 8.0544 8.3185 8.3192 k = 0.4054 0.3297-0.0000 ( 7920 PWs) bands (ev): -36.9475 -36.9475 -36.9473 -36.9473 -18.2371 -18.2371 -18.2259 -18.2259 -17.8765 -17.8765 -17.8612 -17.8612 -17.8422 -17.8422 -17.8397 -17.8397 -10.7055 -10.7055 -10.7053 -10.7053 -10.6300 -10.6300 -10.6262 -10.6262 0.0104 0.0104 0.0422 0.0422 0.1092 0.1092 0.2459 0.2459 0.6807 0.6807 0.7881 0.7881 0.9201 0.9201 0.9505 0.9505 1.4542 1.4542 1.5504 1.5504 1.8516 1.8516 1.9685 1.9685 7.2954 7.2954 7.2992 7.2992 8.0454 8.0454 8.0549 8.0549 8.2932 8.2958 k = 0.3919 0.3297-0.0000 ( 7920 PWs) bands (ev): -36.9475 -36.9475 -36.9474 -36.9474 -18.2367 -18.2367 -18.2257 -18.2257 -17.8756 -17.8756 -17.8605 -17.8605 -17.8425 -17.8425 -17.8400 -17.8400 -10.7087 -10.7087 -10.7084 -10.7084 -10.6299 -10.6299 -10.6262 -10.6262 0.0239 0.0239 0.0577 0.0577 0.1038 0.1038 0.2419 0.2419 0.6713 0.6713 0.7996 0.7996 0.9351 0.9351 0.9402 0.9402 1.4603 1.4603 1.5549 1.5549 1.8582 1.8582 1.9698 1.9698 7.3120 7.3120 7.3160 7.3160 8.0454 8.0454 8.0554 8.0554 8.2657 8.2676 k = 0.3784 0.3297-0.0000 ( 7916 PWs) bands (ev): -36.9476 -36.9476 -36.9474 -36.9474 -18.2362 -18.2362 -18.2254 -18.2254 -17.8746 -17.8746 -17.8598 -17.8598 -17.8427 -17.8427 -17.8403 -17.8403 -10.7123 -10.7123 -10.7120 -10.7120 -10.6298 -10.6298 -10.6261 -10.6261 0.0369 0.0369 0.0650 0.0650 0.1080 0.1080 0.2393 0.2393 0.6630 0.6630 0.8118 0.8118 0.9304 0.9304 0.9502 0.9502 1.4664 1.4664 1.5582 1.5582 1.8662 1.8662 1.9716 1.9716 7.3305 7.3305 7.3346 7.3346 8.0448 8.0448 8.0554 8.0554 8.2365 8.2386 k = 0.3649 0.3297-0.0000 ( 7912 PWs) bands (ev): -36.9476 -36.9476 -36.9475 -36.9475 -18.2357 -18.2357 -18.2251 -18.2251 -17.8735 -17.8735 -17.8590 -17.8590 -17.8430 -17.8430 -17.8407 -17.8407 -10.7163 -10.7163 -10.7159 -10.7159 -10.6295 -10.6295 -10.6260 -10.6260 0.0481 0.0481 0.0599 0.0599 0.1259 0.1259 0.2394 0.2394 0.6563 0.6563 0.8243 0.8243 0.9215 0.9215 0.9655 0.9655 1.4721 1.4721 1.5600 1.5600 1.8757 1.8757 1.9739 1.9739 7.3506 7.3506 7.3549 7.3549 8.0430 8.0430 8.0543 8.0543 8.2067 8.2106 k = 0.3514 0.3297-0.0000 ( 7916 PWs) bands (ev): -36.9477 -36.9477 -36.9475 -36.9475 -18.2352 -18.2352 -18.2248 -18.2248 -17.8723 -17.8723 -17.8582 -17.8582 -17.8433 -17.8433 -17.8410 -17.8410 -10.7207 -10.7207 -10.7203 -10.7203 -10.6291 -10.6291 -10.6257 -10.6257 0.0492 0.0492 0.0559 0.0559 0.1509 0.1509 0.2436 0.2436 0.6511 0.6511 0.8365 0.8365 0.9141 0.9141 0.9808 0.9808 1.4774 1.4774 1.5602 1.5602 1.8865 1.8865 1.9766 1.9766 7.3723 7.3723 7.3768 7.3768 8.0388 8.0388 8.0510 8.0510 8.1775 8.1821 k = 0.3378 0.3297-0.0000 ( 7910 PWs) bands (ev): -36.9477 -36.9477 -36.9476 -36.9476 -18.2346 -18.2346 -18.2245 -18.2245 -17.8711 -17.8711 -17.8573 -17.8573 -17.8436 -17.8436 -17.8414 -17.8414 -10.7254 -10.7254 -10.7250 -10.7250 -10.6286 -10.6286 -10.6254 -10.6254 0.0364 0.0364 0.0590 0.0590 0.1792 0.1792 0.2530 0.2530 0.6479 0.6479 0.8476 0.8476 0.9092 0.9092 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 8.0431 8.0431 8.1517 8.1520 k = 0.3243 0.3297-0.0000 ( 7902 PWs) bands (ev): -36.9478 -36.9478 -36.9476 -36.9476 -18.2340 -18.2340 -18.2241 -18.2241 -17.8697 -17.8697 -17.8564 -17.8564 -17.8438 -17.8438 -17.8418 -17.8418 -10.7305 -10.7305 -10.7300 -10.7300 -10.6281 -10.6281 -10.6250 -10.6250 0.0224 0.0224 0.0571 0.0571 0.2099 0.2099 0.2681 0.2681 0.6466 0.6466 0.8562 0.8562 0.9083 0.9083 1.0107 1.0107 1.4862 1.4862 1.5559 1.5559 1.9116 1.9116 1.9838 1.9838 7.4198 7.4198 7.4247 7.4247 8.0153 8.0153 8.0275 8.0275 8.1327 8.1330 k = 0.3108 0.3297-0.0000 ( 7906 PWs) bands (ev): -36.9478 -36.9478 -36.9477 -36.9477 -18.2334 -18.2334 -18.2238 -18.2238 -17.8683 -17.8683 -17.8556 -17.8556 -17.8441 -17.8441 -17.8422 -17.8422 -10.7358 -10.7358 -10.7353 -10.7353 -10.6274 -10.6274 -10.6244 -10.6244 0.0077 0.0077 0.0504 0.0504 0.2424 0.2424 0.2883 0.2883 0.6473 0.6473 0.8611 0.8611 0.9126 0.9126 1.0252 1.0252 1.4895 1.4895 1.5516 1.5516 1.9253 1.9253 1.9882 1.9882 7.4452 7.4452 7.4502 7.4502 7.9923 7.9923 8.0026 8.0026 8.1217 8.1218 k = 0.2973 0.3297-0.0000 ( 7918 PWs) bands (ev): -36.9479 -36.9479 -36.9478 -36.9478 -18.2327 -18.2327 -18.2235 -18.2235 -17.8669 -17.8669 -17.8547 -17.8547 -17.8443 -17.8443 -17.8426 -17.8426 -10.7414 -10.7414 -10.7409 -10.7409 -10.6267 -10.6267 -10.6238 -10.6238 -0.0075 -0.0075 0.0400 0.0400 0.2762 0.2762 0.3126 0.3126 0.6502 0.6502 0.8627 0.8627 0.9215 0.9215 1.0393 1.0393 1.4922 1.4922 1.5463 1.5463 1.9394 1.9394 1.9930 1.9930 7.4715 7.4715 7.4766 7.4766 7.9625 7.9625 7.9705 7.9705 8.1167 8.1167 k = 0.2838 0.3297-0.0000 ( 7914 PWs) bands (ev): -36.9480 -36.9480 -36.9478 -36.9478 -18.2321 -18.2321 -18.2231 -18.2231 -17.8654 -17.8654 -17.8539 -17.8539 -17.8444 -17.8444 -17.8430 -17.8430 -10.7472 -10.7472 -10.7466 -10.7466 -10.6258 -10.6258 -10.6231 -10.6231 -0.0230 -0.0230 0.0270 0.0270 0.3112 0.3112 0.3396 0.3396 0.6552 0.6552 0.8630 0.8630 0.9333 0.9333 1.0528 1.0528 1.4942 1.4942 1.5399 1.5399 1.9538 1.9538 1.9982 1.9982 7.4985 7.4985 7.5037 7.5037 7.9279 7.9279 7.9338 7.9338 8.1147 8.1152 k = 0.2703 0.3297-0.0000 ( 7906 PWs) bands (ev): -36.9480 -36.9480 -36.9479 -36.9479 -18.2314 -18.2314 -18.2228 -18.2228 -17.8639 -17.8639 -17.8531 -17.8531 -17.8444 -17.8444 -17.8434 -17.8434 -10.7532 -10.7532 -10.7525 -10.7525 -10.6250 -10.6250 -10.6224 -10.6224 -0.0387 -0.0387 0.0119 0.0119 0.3469 0.3469 0.3686 0.3686 0.6625 0.6625 0.8633 0.8633 0.9466 0.9466 1.0656 1.0656 1.4956 1.4956 1.5328 1.5328 1.9681 1.9681 2.0037 2.0037 7.5260 7.5260 7.5313 7.5313 7.8899 7.8899 7.8942 7.8942 8.1129 8.1131 k = 0.2568 0.3297-0.0000 ( 7904 PWs) bands (ev): -36.9481 -36.9481 -36.9479 -36.9479 -18.2307 -18.2307 -18.2225 -18.2225 -17.8624 -17.8624 -17.8525 -17.8525 -17.8443 -17.8443 -17.8438 -17.8438 -10.7592 -10.7592 -10.7586 -10.7586 -10.6240 -10.6240 -10.6216 -10.6216 -0.0544 -0.0544 -0.0043 -0.0043 0.3830 0.3830 0.3986 0.3986 0.6721 0.6721 0.8644 0.8644 0.9606 0.9606 1.0777 1.0777 1.4967 1.4967 1.5251 1.5251 1.9822 1.9822 2.0093 2.0093 7.5537 7.5537 7.5591 7.5591 7.8496 7.8496 7.8526 7.8526 8.1101 8.1122 k = 0.2432 0.3297-0.0000 ( 7910 PWs) bands (ev): -36.9481 -36.9481 -36.9480 -36.9480 -18.2301 -18.2301 -18.2222 -18.2222 -17.8610 -17.8610 -17.8520 -17.8520 -17.8441 -17.8441 -17.8440 -17.8440 -10.7653 -10.7653 -10.7646 -10.7646 -10.6230 -10.6230 -10.6207 -10.6207 -0.0701 -0.0701 -0.0214 -0.0214 0.4192 0.4192 0.4289 0.4289 0.6840 0.6840 0.8664 0.8664 0.9750 0.9750 1.0890 1.0890 1.4973 1.4973 1.5171 1.5171 1.9957 1.9957 2.0150 2.0150 7.5816 7.5816 7.5869 7.5869 7.8076 7.8076 7.8095 7.8095 8.1063 8.1078 k = 0.2297 0.3297-0.0000 ( 7914 PWs) bands (ev): -36.9482 -36.9482 -36.9481 -36.9481 -18.2294 -18.2294 -18.2219 -18.2219 -17.8595 -17.8595 -17.8517 -17.8517 -17.8444 -17.8444 -17.8436 -17.8436 -10.7714 -10.7714 -10.7707 -10.7707 -10.6220 -10.6220 -10.6199 -10.6199 -0.0857 -0.0857 -0.0390 -0.0390 0.4550 0.4550 0.4588 0.4588 0.6983 0.6983 0.8696 0.8696 0.9897 0.9897 1.0994 1.0994 1.4979 1.4979 1.5089 1.5089 2.0087 2.0087 2.0206 2.0206 7.6092 7.6092 7.6143 7.6143 7.7643 7.7643 7.7655 7.7655 8.1007 8.1043 k = 0.2162 0.3297-0.0000 ( 7914 PWs) bands (ev): -36.9483 -36.9483 -36.9481 -36.9481 -18.2288 -18.2288 -18.2217 -18.2217 -17.8582 -17.8582 -17.8516 -17.8516 -17.8446 -17.8446 -17.8430 -17.8430 -10.7774 -10.7774 -10.7768 -10.7768 -10.6210 -10.6210 -10.6190 -10.6190 -0.1009 -0.1009 -0.0566 -0.0566 0.4879 0.4879 0.4901 0.4901 0.7148 0.7148 0.8738 0.8738 1.0045 1.0045 1.1089 1.1089 1.4984 1.4984 1.5008 1.5008 2.0209 2.0209 2.0261 2.0261 7.6359 7.6359 7.6406 7.6406 7.7207 7.7207 7.7215 7.7215 8.0938 8.0973 k = 0.2027 0.3297-0.0000 ( 7930 PWs) bands (ev): -36.9483 -36.9483 -36.9482 -36.9482 -18.2281 -18.2281 -18.2214 -18.2214 -17.8569 -17.8569 -17.8516 -17.8516 -17.8446 -17.8446 -17.8423 -17.8423 -10.7833 -10.7833 -10.7827 -10.7827 -10.6200 -10.6200 -10.6181 -10.6181 -0.1158 -0.1158 -0.0741 -0.0741 0.5157 0.5157 0.5242 0.5242 0.7333 0.7333 0.8791 0.8791 1.0195 1.0195 1.1173 1.1173 1.4928 1.4928 1.4989 1.4989 2.0313 2.0313 2.0322 2.0322 7.6546 7.6546 7.6566 7.6566 7.6841 7.6841 7.6868 7.6868 8.0860 8.0869 k = 0.1892 0.3297-0.0000 ( 7928 PWs) bands (ev): -36.9484 -36.9484 -36.9483 -36.9483 -18.2275 -18.2275 -18.2212 -18.2212 -17.8558 -17.8558 -17.8517 -17.8517 -17.8446 -17.8446 -17.8415 -17.8415 -10.7891 -10.7891 -10.7885 -10.7885 -10.6190 -10.6190 -10.6172 -10.6172 -0.1302 -0.1302 -0.0913 -0.0913 0.5420 0.5420 0.5568 0.5568 0.7537 0.7537 0.8851 0.8851 1.0347 1.0347 1.1248 1.1248 1.4853 1.4853 1.4998 1.4998 2.0362 2.0362 2.0426 2.0426 7.6233 7.6233 7.6238 7.6238 7.6959 7.6959 7.7004 7.7004 8.0772 8.0791 k = 0.1757 0.3297-0.0000 ( 7916 PWs) bands (ev): -36.9485 -36.9485 -36.9483 -36.9483 -18.2269 -18.2269 -18.2210 -18.2210 -17.8549 -17.8549 -17.8519 -17.8519 -17.8443 -17.8443 -17.8406 -17.8406 -10.7947 -10.7947 -10.7942 -10.7942 -10.6180 -10.6180 -10.6163 -10.6163 -0.1439 -0.1439 -0.1079 -0.1079 0.5666 0.5666 0.5876 0.5876 0.7753 0.7753 0.8917 0.8917 1.0501 1.0501 1.1313 1.1313 1.4784 1.4784 1.5009 1.5009 2.0407 2.0407 2.0519 2.0519 7.5787 7.5787 7.5793 7.5793 7.7208 7.7208 7.7249 7.7249 8.0682 8.0689 k = 0.1622 0.3297-0.0000 ( 7916 PWs) bands (ev): -36.9485 -36.9485 -36.9484 -36.9484 -18.2263 -18.2263 -18.2208 -18.2208 -17.8543 -17.8543 -17.8521 -17.8521 -17.8438 -17.8438 -17.8398 -17.8398 -10.8001 -10.8001 -10.7996 -10.7996 -10.6170 -10.6170 -10.6155 -10.6155 -0.1570 -0.1570 -0.1239 -0.1239 0.5897 0.5897 0.6164 0.6164 0.7978 0.7978 0.8986 0.8986 1.0655 1.0655 1.1368 1.1368 1.4724 1.4724 1.5024 1.5024 2.0449 2.0449 2.0600 2.0600 7.5336 7.5336 7.5343 7.5343 7.7459 7.7459 7.7494 7.7494 8.0599 8.0599 k = 0.1486 0.3297-0.0000 ( 7926 PWs) bands (ev): -36.9486 -36.9486 -36.9484 -36.9484 -18.2257 -18.2257 -18.2207 -18.2207 -17.8538 -17.8538 -17.8523 -17.8523 -17.8432 -17.8432 -17.8389 -17.8389 -10.8052 -10.8052 -10.8047 -10.8047 -10.6161 -10.6161 -10.6147 -10.6147 -0.1693 -0.1693 -0.1392 -0.1392 0.6112 0.6112 0.6429 0.6429 0.8204 0.8204 0.9056 0.9056 1.0808 1.0808 1.1414 1.1414 1.4675 1.4675 1.5044 1.5044 2.0486 2.0486 2.0670 2.0670 7.4892 7.4892 7.4899 7.4899 7.7703 7.7703 7.7732 7.7732 8.0520 8.0521 k = 0.1351 0.3297-0.0000 ( 7926 PWs) bands (ev): -36.9486 -36.9486 -36.9485 -36.9485 -18.2252 -18.2252 -18.2206 -18.2206 -17.8535 -17.8535 -17.8525 -17.8525 -17.8425 -17.8425 -17.8382 -17.8382 -10.8100 -10.8100 -10.8095 -10.8095 -10.6152 -10.6152 -10.6139 -10.6139 -0.1807 -0.1807 -0.1535 -0.1535 0.6313 0.6313 0.6669 0.6669 0.8426 0.8426 0.9126 0.9126 1.0957 1.0957 1.1450 1.1450 1.4640 1.4640 1.5067 1.5067 2.0520 2.0520 2.0728 2.0728 7.4462 7.4462 7.4468 7.4468 7.7940 7.7940 7.7961 7.7961 8.0446 8.0448 k = 0.1216 0.3297-0.0000 ( 7922 PWs) bands (ev): -36.9487 -36.9487 -36.9485 -36.9485 -18.2246 -18.2246 -18.2205 -18.2205 -17.8534 -17.8534 -17.8527 -17.8527 -17.8416 -17.8416 -17.8374 -17.8374 -10.8145 -10.8145 -10.8140 -10.8140 -10.6143 -10.6143 -10.6132 -10.6132 -0.1911 -0.1911 -0.1668 -0.1668 0.6501 0.6501 0.6884 0.6884 0.8638 0.8638 0.9193 0.9193 1.1097 1.1097 1.1479 1.1479 1.4621 1.4621 1.5092 1.5092 2.0550 2.0550 2.0774 2.0774 7.4052 7.4052 7.4058 7.4058 7.8166 7.8166 7.8180 7.8180 8.0376 8.0378 k = 0.1081 0.3297-0.0000 ( 7908 PWs) bands (ev): -36.9487 -36.9487 -36.9486 -36.9486 -18.2241 -18.2241 -18.2204 -18.2204 -17.8533 -17.8533 -17.8530 -17.8530 -17.8407 -17.8407 -17.8368 -17.8368 -10.8185 -10.8185 -10.8181 -10.8181 -10.6136 -10.6136 -10.6125 -10.6125 -0.2005 -0.2005 -0.1791 -0.1791 0.6676 0.6676 0.7072 0.7072 0.8834 0.8834 0.9256 0.9256 1.1224 1.1224 1.1500 1.1500 1.4620 1.4620 1.5120 1.5120 2.0577 2.0577 2.0809 2.0809 7.3668 7.3668 7.3672 7.3672 7.8383 7.8383 7.8387 7.8387 8.0309 8.0313 k = 0.0946 0.3297-0.0000 ( 7924 PWs) bands (ev): -36.9487 -36.9487 -36.9486 -36.9486 -18.2237 -18.2237 -18.2204 -18.2204 -17.8534 -17.8534 -17.8532 -17.8532 -17.8398 -17.8398 -17.8362 -17.8362 -10.8222 -10.8222 -10.8218 -10.8218 -10.6128 -10.6128 -10.6120 -10.6120 -0.2088 -0.2088 -0.1902 -0.1902 0.6840 0.6840 0.7233 0.7233 0.9011 0.9011 0.9315 0.9315 1.1335 1.1335 1.1516 1.1516 1.4639 1.4639 1.5146 1.5146 2.0602 2.0602 2.0832 2.0832 7.3313 7.3313 7.3316 7.3316 7.8584 7.8584 7.8588 7.8588 8.0242 8.0245 k = 0.0811 0.3297-0.0000 ( 7930 PWs) bands (ev): -36.9488 -36.9488 -36.9486 -36.9486 -18.2232 -18.2232 -18.2205 -18.2205 -17.8535 -17.8535 -17.8533 -17.8533 -17.8389 -17.8389 -17.8358 -17.8358 -10.8254 -10.8254 -10.8251 -10.8251 -10.6122 -10.6122 -10.6114 -10.6114 -0.2160 -0.2160 -0.2001 -0.2001 0.6991 0.6991 0.7366 0.7366 0.9165 0.9165 0.9371 0.9371 1.1425 1.1425 1.1528 1.1528 1.4676 1.4676 1.5168 1.5168 2.0625 2.0625 2.0845 2.0845 7.2994 7.2994 7.2996 7.2996 7.8768 7.8768 7.8781 7.8781 8.0175 8.0177 k = 0.0676 0.3297-0.0000 ( 7946 PWs) bands (ev): -36.9488 -36.9488 -36.9487 -36.9487 -18.2229 -18.2229 -18.2205 -18.2205 -17.8536 -17.8536 -17.8535 -17.8535 -17.8381 -17.8381 -17.8354 -17.8354 -10.8282 -10.8282 -10.8279 -10.8279 -10.6117 -10.6117 -10.6110 -10.6110 -0.2219 -0.2219 -0.2088 -0.2088 0.7130 0.7130 0.7471 0.7471 0.9295 0.9295 0.9422 0.9422 1.1494 1.1494 1.1538 1.1538 1.4730 1.4730 1.5183 1.5183 2.0648 2.0648 2.0849 2.0849 7.2715 7.2715 7.2716 7.2716 7.8941 7.8941 7.8962 7.8962 8.0106 8.0106 k = 0.0541 0.3297-0.0000 ( 7944 PWs) bands (ev): -36.9488 -36.9488 -36.9487 -36.9487 -18.2225 -18.2225 -18.2206 -18.2206 -17.8537 -17.8537 -17.8536 -17.8536 -17.8373 -17.8373 -17.8352 -17.8352 -10.8305 -10.8305 -10.8303 -10.8303 -10.6112 -10.6112 -10.6107 -10.6107 -0.2266 -0.2266 -0.2162 -0.2162 0.7254 0.7254 0.7547 0.7547 0.9399 0.9399 0.9468 0.9468 1.1542 1.1542 1.1547 1.1547 1.4796 1.4796 1.5189 1.5189 2.0671 2.0671 2.0844 2.0844 7.2480 7.2480 7.2481 7.2481 7.9101 7.9101 7.9131 7.9131 8.0033 8.0038 k = 0.0405 0.3297-0.0000 ( 7948 PWs) bands (ev): -36.9488 -36.9488 -36.9487 -36.9487 -18.2221 -18.2221 -18.2207 -18.2207 -17.8538 -17.8538 -17.8537 -17.8537 -17.8367 -17.8367 -17.8350 -17.8350 -10.8323 -10.8323 -10.8321 -10.8321 -10.6108 -10.6108 -10.6104 -10.6104 -0.2301 -0.2301 -0.2223 -0.2223 0.7363 0.7363 0.7595 0.7595 0.9477 0.9477 0.9508 0.9508 1.1556 1.1556 1.1571 1.1571 1.4870 1.4870 1.5183 1.5183 2.0695 2.0695 2.0832 2.0832 7.2293 7.2293 7.2294 7.2294 7.9249 7.9249 7.9285 7.9285 7.9956 7.9957 k = 0.0270 0.3297-0.0000 ( 7948 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2218 -18.2218 -18.2209 -18.2209 -17.8539 -17.8539 -17.8537 -17.8537 -17.8361 -17.8361 -17.8350 -17.8350 -10.8335 -10.8335 -10.8334 -10.8334 -10.6105 -10.6105 -10.6102 -10.6102 -0.2322 -0.2322 -0.2270 -0.2270 0.7455 0.7455 0.7616 0.7616 0.9530 0.9530 0.9540 0.9540 1.1566 1.1566 1.1586 1.1586 1.4945 1.4945 1.5162 1.5162 2.0719 2.0719 2.0814 2.0814 7.2158 7.2158 7.2159 7.2159 7.9382 7.9382 7.9423 7.9423 7.9877 7.9877 k = 0.0135 0.3297-0.0000 ( 7940 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2215 -18.2215 -18.2211 -18.2211 -17.8539 -17.8539 -17.8538 -17.8538 -17.8356 -17.8356 -17.8351 -17.8351 -10.8343 -10.8343 -10.8342 -10.8342 -10.6103 -10.6103 -10.6102 -10.6102 -0.2329 -0.2329 -0.2303 -0.2303 0.7528 0.7528 0.7611 0.7611 0.9560 0.9560 0.9562 0.9562 1.1576 1.1576 1.1589 1.1589 1.5016 1.5016 1.5127 1.5127 2.0744 2.0744 2.0793 2.0793 7.2076 7.2076 7.2076 7.2076 7.9497 7.9497 7.9534 7.9534 7.9804 7.9804 k = 0.0000 0.3297-0.0000 ( 7936 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2214 -18.2214 -18.2212 -18.2212 -17.8539 -17.8539 -17.8538 -17.8538 -17.8354 -17.8354 -17.8352 -17.8352 -10.8345 -10.8345 -10.8345 -10.8345 -10.6102 -10.6102 -10.6102 -10.6102 -0.2323 -0.2323 -0.2323 -0.2323 0.7581 0.7581 0.7581 0.7581 0.9570 0.9570 0.9570 0.9570 1.1584 1.1584 1.1584 1.1584 1.5077 1.5077 1.5077 1.5077 2.0769 2.0769 2.0769 2.0769 7.2048 7.2048 7.2049 7.2049 7.9568 7.9568 7.9569 7.9569 7.9785 7.9786 k = 0.0000 0.3297-0.0000 ( 7936 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2214 -18.2214 -18.2212 -18.2212 -17.8539 -17.8539 -17.8538 -17.8538 -17.8354 -17.8354 -17.8352 -17.8352 -10.8345 -10.8345 -10.8345 -10.8345 -10.6102 -10.6102 -10.6102 -10.6102 -0.2323 -0.2323 -0.2323 -0.2323 0.7581 0.7581 0.7581 0.7581 0.9570 0.9570 0.9570 0.9570 1.1584 1.1584 1.1584 1.1584 1.5077 1.5077 1.5077 1.5077 2.0769 2.0769 2.0769 2.0769 7.2048 7.2048 7.2049 7.2049 7.9568 7.9569 7.9569 7.9569 7.9785 7.9786 k = 0.0000 0.3160-0.0000 ( 7936 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2219 -18.2219 -18.2207 -18.2207 -17.8548 -17.8548 -17.8529 -17.8529 -17.8357 -17.8357 -17.8349 -17.8349 -10.8476 -10.8476 -10.8214 -10.8214 -10.6111 -10.6111 -10.6092 -10.6092 -0.2614 -0.2614 -0.2033 -0.2033 0.7192 0.7192 0.7946 0.7946 0.9509 0.9509 0.9651 0.9651 1.1394 1.1394 1.1780 1.1780 1.4867 1.4867 1.5290 1.5290 2.0680 2.0680 2.0871 2.0871 7.1898 7.1898 7.2175 7.2175 7.9442 7.9442 7.9538 7.9538 7.9664 7.9664 k = 0.0000 0.3023-0.0000 ( 7946 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2225 -18.2225 -18.2201 -18.2201 -17.8557 -17.8557 -17.8520 -17.8520 -17.8360 -17.8360 -17.8346 -17.8346 -10.8607 -10.8607 -10.8083 -10.8083 -10.6120 -10.6120 -10.6083 -10.6083 -0.2906 -0.2906 -0.1743 -0.1743 0.6797 0.6797 0.8265 0.8265 0.9462 0.9462 0.9761 0.9761 1.1213 1.1213 1.1983 1.1983 1.4658 1.4658 1.5507 1.5507 2.0608 2.0608 2.0984 2.0984 7.1725 7.1725 7.2278 7.2278 7.9251 7.9251 7.9330 7.9330 7.9727 7.9727 k = 0.0000 0.2885-0.0000 ( 7946 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2231 -18.2231 -18.2195 -18.2195 -17.8566 -17.8566 -17.8511 -17.8511 -17.8364 -17.8364 -17.8342 -17.8342 -10.8736 -10.8736 -10.7953 -10.7953 -10.6127 -10.6127 -10.6073 -10.6073 -0.3197 -0.3197 -0.1455 -0.1455 0.6406 0.6406 0.8513 0.8513 0.9426 0.9426 0.9906 0.9906 1.1049 1.1049 1.2193 1.2193 1.4451 1.4451 1.5730 1.5730 2.0554 2.0554 2.1104 2.1104 7.1532 7.1532 7.2355 7.2355 7.9001 7.9001 7.9158 7.9158 7.9758 7.9758 k = 0.0000 0.2748-0.0000 ( 7946 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2237 -18.2237 -18.2189 -18.2189 -17.8575 -17.8575 -17.8501 -17.8501 -17.8368 -17.8368 -17.8338 -17.8338 -10.8863 -10.8863 -10.7826 -10.7826 -10.6135 -10.6135 -10.6063 -10.6063 -0.3489 -0.3489 -0.1168 -0.1168 0.6028 0.6028 0.8676 0.8676 0.9396 0.9396 1.0072 1.0072 1.0915 1.0915 1.2417 1.2417 1.4244 1.4244 1.5963 1.5963 2.0521 2.0521 2.1229 2.1229 7.1321 7.1321 7.2407 7.2407 7.8738 7.8738 7.8981 7.8981 7.9755 7.9755 k = 0.0000 0.2610-0.0000 ( 7946 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2243 -18.2243 -18.2183 -18.2183 -17.8584 -17.8584 -17.8492 -17.8492 -17.8371 -17.8371 -17.8335 -17.8335 -10.8987 -10.8987 -10.7700 -10.7700 -10.6141 -10.6141 -10.6053 -10.6053 -0.3779 -0.3779 -0.0883 -0.0883 0.5669 0.5669 0.8758 0.8758 0.9371 0.9371 1.0217 1.0217 1.0841 1.0841 1.2658 1.2658 1.4038 1.4038 1.6210 1.6210 2.0509 2.0509 2.1355 2.1355 7.1094 7.1094 7.2434 7.2434 7.8468 7.8468 7.8794 7.8794 7.9720 7.9720 k = 0.0000 0.2473-0.0000 ( 7942 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2248 -18.2248 -18.2177 -18.2177 -17.8593 -17.8593 -17.8483 -17.8483 -17.8375 -17.8375 -17.8331 -17.8331 -10.9108 -10.9108 -10.7578 -10.7578 -10.6146 -10.6146 -10.6043 -10.6043 -0.4068 -0.4068 -0.0599 -0.0599 0.5332 0.5332 0.8773 0.8773 0.9345 0.9345 1.0283 1.0283 1.0859 1.0859 1.2921 1.2921 1.3833 1.3833 1.6473 1.6473 2.0520 2.0520 2.1480 2.1480 7.0853 7.0853 7.2437 7.2437 7.8187 7.8187 7.8602 7.8602 7.9655 7.9655 k = 0.0000 0.2336-0.0000 ( 7932 PWs) bands (ev): -36.9489 -36.9489 -36.9486 -36.9486 -18.2254 -18.2254 -18.2172 -18.2172 -17.8601 -17.8601 -17.8475 -17.8475 -17.8378 -17.8378 -17.8328 -17.8328 -10.9226 -10.9226 -10.7460 -10.7460 -10.6149 -10.6149 -10.6033 -10.6033 -0.4354 -0.4354 -0.0319 -0.0319 0.5020 0.5020 0.8734 0.8734 0.9317 0.9317 1.0277 1.0277 1.0945 1.0945 1.3206 1.3206 1.3631 1.3631 1.6758 1.6758 2.0551 2.0551 2.1603 2.1603 7.0602 7.0602 7.2418 7.2418 7.7890 7.7890 7.8407 7.8407 7.9563 7.9563 k = 0.0000 0.2198-0.0000 ( 7936 PWs) bands (ev): -36.9490 -36.9490 -36.9486 -36.9486 -18.2259 -18.2259 -18.2167 -18.2167 -17.8609 -17.8609 -17.8467 -17.8467 -17.8381 -17.8381 -17.8324 -17.8324 -10.9340 -10.9340 -10.7347 -10.7347 -10.6151 -10.6151 -10.6023 -10.6023 -0.4636 -0.4636 -0.0041 -0.0041 0.4737 0.4737 0.8647 0.8647 0.9289 0.9289 1.0252 1.0252 1.1037 1.1037 1.3430 1.3430 1.3508 1.3508 1.7067 1.7067 2.0602 2.0602 2.1720 2.1720 7.0344 7.0344 7.2376 7.2376 7.7568 7.7568 7.8212 7.8212 7.9448 7.9448 k = 0.0000 0.2061-0.0000 ( 7918 PWs) bands (ev): -36.9490 -36.9490 -36.9486 -36.9486 -18.2264 -18.2264 -18.2161 -18.2161 -17.8617 -17.8617 -17.8458 -17.8458 -17.8384 -17.8384 -17.8321 -17.8321 -10.9449 -10.9449 -10.7239 -10.7239 -10.6151 -10.6151 -10.6014 -10.6014 -0.4912 -0.4912 0.0232 0.0232 0.4482 0.4482 0.8520 0.8520 0.9265 0.9265 1.0233 1.0233 1.1105 1.1105 1.3233 1.3233 1.3815 1.3815 1.7402 1.7402 2.0672 2.0672 2.1830 2.1830 7.0081 7.0081 7.2314 7.2314 7.7213 7.7213 7.8021 7.8021 7.9314 7.9314 k = 0.0000 0.1923-0.0000 ( 7908 PWs) bands (ev): -36.9490 -36.9490 -36.9486 -36.9486 -18.2269 -18.2269 -18.2156 -18.2156 -17.8624 -17.8624 -17.8450 -17.8450 -17.8387 -17.8387 -17.8318 -17.8318 -10.9554 -10.9554 -10.7138 -10.7138 -10.6149 -10.6149 -10.6005 -10.6005 -0.5182 -0.5182 0.0499 0.0499 0.4259 0.4259 0.8360 0.8360 0.9246 0.9246 1.0226 1.0226 1.1142 1.1142 1.3039 1.3039 1.4118 1.4118 1.7762 1.7762 2.0758 2.0758 2.1933 2.1933 6.9817 6.9817 7.2232 7.2232 7.6809 7.6809 7.7834 7.7834 7.9166 7.9166 k = 0.0000 0.1786-0.0000 ( 7912 PWs) bands (ev): -36.9490 -36.9490 -36.9486 -36.9486 -18.2274 -18.2274 -18.2151 -18.2151 -17.8632 -17.8632 -17.8443 -17.8443 -17.8390 -17.8390 -17.8315 -17.8315 -10.9652 -10.9652 -10.7045 -10.7045 -10.6143 -10.6143 -10.5996 -10.5996 -0.5442 -0.5442 0.0757 0.0757 0.4068 0.4068 0.8176 0.8176 0.9233 0.9233 1.0229 1.0229 1.1153 1.1153 1.2848 1.2848 1.4407 1.4407 1.8142 1.8142 2.0858 2.0858 2.2027 2.2027 6.9556 6.9556 7.2131 7.2131 7.6347 7.6347 7.7653 7.7653 7.9007 7.9008 k = 0.0000 0.1649-0.0000 ( 7908 PWs) bands (ev): -36.9490 -36.9490 -36.9486 -36.9486 -18.2278 -18.2278 -18.2147 -18.2147 -17.8638 -17.8638 -17.8436 -17.8436 -17.8392 -17.8392 -17.8312 -17.8312 -10.9746 -10.9746 -10.6960 -10.6960 -10.6135 -10.6135 -10.5988 -10.5988 -0.5693 -0.5693 0.1005 0.1005 0.3912 0.3912 0.7973 0.7973 0.9226 0.9226 1.0239 1.0239 1.1144 1.1144 1.2662 1.2662 1.4677 1.4677 1.8536 1.8536 2.0971 2.0971 2.2112 2.2112 6.9299 6.9299 7.2009 7.2009 7.5829 7.5829 7.7481 7.7481 7.8830 7.8839 k = 0.0000 0.1511-0.0000 ( 7924 PWs) bands (ev): -36.9490 -36.9490 -36.9486 -36.9486 -18.2283 -18.2283 -18.2143 -18.2143 -17.8645 -17.8645 -17.8429 -17.8429 -17.8395 -17.8395 -17.8309 -17.8309 -10.9833 -10.9833 -10.6884 -10.6884 -10.6123 -10.6123 -10.5980 -10.5980 -0.5931 -0.5931 0.1237 0.1237 0.3792 0.3792 0.7756 0.7756 0.9222 0.9222 1.0253 1.0253 1.1121 1.1121 1.2481 1.2481 1.4924 1.4924 1.8936 1.8936 2.1095 2.1095 2.2188 2.2188 6.9050 6.9050 7.1865 7.1865 7.5274 7.5274 7.7318 7.7318 7.8539 7.8539 k = 0.0000 0.1374-0.0000 ( 7930 PWs) bands (ev): -36.9490 -36.9490 -36.9486 -36.9486 -18.2286 -18.2286 -18.2139 -18.2139 -17.8651 -17.8651 -17.8424 -17.8424 -17.8397 -17.8397 -17.8307 -17.8307 -10.9913 -10.9913 -10.6817 -10.6817 -10.6108 -10.6108 -10.5972 -10.5972 -0.6155 -0.6155 0.1449 0.1449 0.3714 0.3714 0.7531 0.7531 0.9222 0.9222 1.0268 1.0268 1.1090 1.1090 1.2306 1.2306 1.5147 1.5147 1.9329 1.9329 2.1230 2.1230 2.2254 2.2254 6.8811 6.8811 7.1693 7.1693 7.4714 7.4714 7.7167 7.7167 7.8214 7.8214 k = 0.0000 0.1237-0.0000 ( 7938 PWs) bands (ev): -36.9490 -36.9490 -36.9485 -36.9485 -18.2290 -18.2290 -18.2135 -18.2135 -17.8656 -17.8656 -17.8419 -17.8419 -17.8399 -17.8399 -17.8305 -17.8305 -10.9987 -10.9987 -10.6761 -10.6761 -10.6090 -10.6090 -10.5965 -10.5965 -0.6363 -0.6363 0.1635 0.1635 0.3680 0.3680 0.7298 0.7298 0.9224 0.9224 1.0285 1.0285 1.1056 1.1056 1.2137 1.2137 1.5346 1.5346 1.9703 1.9703 2.1377 2.1377 2.2312 2.2312 6.8587 6.8587 7.1489 7.1489 7.4185 7.4185 7.7028 7.7028 7.7946 7.7946 k = 0.0000 0.1099-0.0000 ( 7938 PWs) bands (ev): -36.9491 -36.9491 -36.9485 -36.9485 -18.2293 -18.2293 -18.2132 -18.2132 -17.8661 -17.8661 -17.8414 -17.8414 -17.8401 -17.8401 -17.8303 -17.8303 -11.0054 -11.0054 -10.6714 -10.6714 -10.6069 -10.6069 -10.5958 -10.5958 -0.6554 -0.6554 0.1788 0.1788 0.3695 0.3695 0.7060 0.7060 0.9227 0.9227 1.0303 1.0303 1.1023 1.1023 1.1975 1.1975 1.5522 1.5522 2.0045 2.0045 2.1536 2.1536 2.2361 2.2361 6.8379 6.8379 7.1248 7.1248 7.3718 7.3718 7.6901 7.6901 7.7729 7.7729 k = 0.0000 0.0962-0.0000 ( 7928 PWs) bands (ev): -36.9491 -36.9491 -36.9485 -36.9485 -18.2296 -18.2296 -18.2129 -18.2129 -17.8665 -17.8665 -17.8410 -17.8410 -17.8401 -17.8401 -17.8301 -17.8301 -11.0114 -11.0114 -10.6676 -10.6676 -10.6046 -10.6046 -10.5952 -10.5952 -0.6726 -0.6726 0.1906 0.1906 0.3760 0.3760 0.6819 0.6819 0.9232 0.9232 1.0320 1.0320 1.0995 1.0995 1.1821 1.1821 1.5676 1.5676 2.0344 2.0344 2.1708 2.1708 2.2402 2.2402 6.8189 6.8189 7.0969 7.0969 7.3331 7.3331 7.6788 7.6788 7.7552 7.7552 k = 0.0000 0.0824-0.0000 ( 7938 PWs) bands (ev): -36.9491 -36.9491 -36.9485 -36.9485 -18.2298 -18.2298 -18.2127 -18.2127 -17.8669 -17.8669 -17.8408 -17.8408 -17.8401 -17.8401 -17.8299 -17.8299 -11.0166 -11.0166 -10.6646 -10.6646 -10.6024 -10.6024 -10.5945 -10.5945 -0.6878 -0.6878 0.1990 0.1990 0.3872 0.3872 0.6575 0.6575 0.9235 0.9235 1.0339 1.0339 1.0972 1.0972 1.1676 1.1676 1.5808 1.5808 2.0593 2.0593 2.1888 2.1888 2.2438 2.2438 6.8020 6.8020 7.0667 7.0667 7.3028 7.3028 7.6689 7.6689 7.7407 7.7407 k = 0.0000 0.0687-0.0000 ( 7938 PWs) bands (ev): -36.9491 -36.9491 -36.9485 -36.9485 -18.2301 -18.2301 -18.2125 -18.2125 -17.8672 -17.8672 -17.8408 -17.8408 -17.8399 -17.8399 -17.8298 -17.8298 -11.0210 -11.0210 -10.6623 -10.6623 -10.6004 -10.6004 -10.5939 -10.5939 -0.7008 -0.7008 0.2045 0.2045 0.4025 0.4025 0.6330 0.6330 0.9239 0.9239 1.0359 1.0359 1.0957 1.0957 1.1542 1.1542 1.5919 1.5919 2.0791 2.0791 2.2069 2.2069 2.2468 2.2468 6.7874 6.7874 7.0361 7.0361 7.2802 7.2802 7.6604 7.6604 7.7291 7.7291 k = 0.0000 0.0550-0.0000 ( 7954 PWs) bands (ev): -36.9491 -36.9491 -36.9485 -36.9485 -18.2303 -18.2303 -18.2123 -18.2123 -17.8675 -17.8675 -17.8408 -17.8408 -17.8397 -17.8397 -17.8297 -17.8297 -11.0247 -11.0247 -10.6606 -10.6606 -10.5987 -10.5987 -10.5932 -10.5932 -0.7117 -0.7117 0.2079 0.2079 0.4207 0.4207 0.6083 0.6083 0.9241 0.9241 1.0381 1.0381 1.0950 1.0950 1.1419 1.1419 1.6009 1.6009 2.0941 2.0941 2.2234 2.2234 2.2498 2.2498 6.7752 6.7752 7.0077 7.0077 7.2637 7.2637 7.6534 7.6534 7.7198 7.7198 k = 0.0000 0.0412-0.0000 ( 7932 PWs) bands (ev): -36.9491 -36.9491 -36.9485 -36.9485 -18.2304 -18.2304 -18.2122 -18.2122 -17.8677 -17.8677 -17.8409 -17.8409 -17.8395 -17.8395 -17.8296 -17.8296 -11.0275 -11.0275 -10.6593 -10.6593 -10.5974 -10.5974 -10.5924 -10.5924 -0.7202 -0.7202 0.2099 0.2099 0.4412 0.4412 0.5836 0.5836 0.9242 0.9242 1.0403 1.0403 1.0951 1.0951 1.1310 1.1310 1.6080 1.6080 2.1050 2.1050 2.2362 2.2362 2.2536 2.2536 6.7656 6.7656 6.9836 6.9836 7.2522 7.2522 7.6479 7.6479 7.7128 7.7128 k = 0.0000 0.0275-0.0000 ( 7928 PWs) bands (ev): -36.9491 -36.9491 -36.9485 -36.9485 -18.2305 -18.2305 -18.2121 -18.2121 -17.8678 -17.8678 -17.8409 -17.8409 -17.8394 -17.8394 -17.8295 -17.8295 -11.0296 -11.0296 -10.6585 -10.6585 -10.5966 -10.5966 -10.5917 -10.5917 -0.7263 -0.7263 0.2110 0.2110 0.4632 0.4632 0.5591 0.5591 0.9243 0.9243 1.0423 1.0423 1.0961 1.0961 1.1219 1.1219 1.6130 1.6130 2.1123 2.1123 2.2433 2.2433 2.2592 2.2592 6.7587 6.7587 6.9654 6.9654 7.2445 7.2445 7.6440 7.6440 7.7079 7.7079 k = 0.0000 0.0137-0.0000 ( 7932 PWs) bands (ev): -36.9491 -36.9491 -36.9485 -36.9485 -18.2305 -18.2305 -18.2120 -18.2120 -17.8679 -17.8679 -17.8409 -17.8409 -17.8393 -17.8393 -17.8295 -17.8295 -11.0308 -11.0308 -10.6580 -10.6580 -10.5961 -10.5961 -10.5913 -10.5913 -0.7300 -0.7300 0.2115 0.2115 0.4861 0.4861 0.5347 0.5347 0.9243 0.9243 1.0437 1.0437 1.0978 1.0978 1.1152 1.1152 1.6159 1.6159 2.1166 2.1166 2.2460 2.2460 2.2644 2.2644 6.7545 6.7545 6.9540 6.9540 7.2401 7.2401 7.6417 7.6417 7.7050 7.7050 k = 0.0000 0.0000 0.0000 ( 7935 PWs) bands (ev): -36.9491 -36.9491 -36.9485 -36.9485 -18.2305 -18.2305 -18.2120 -18.2120 -17.8680 -17.8680 -17.8409 -17.8409 -17.8393 -17.8393 -17.8295 -17.8295 -11.0312 -11.0312 -10.6579 -10.6579 -10.5960 -10.5960 -10.5911 -10.5911 -0.7313 -0.7313 0.2116 0.2116 0.5063 0.5063 0.5141 0.5141 0.9243 0.9243 1.0442 1.0442 1.0988 1.0988 1.1124 1.1124 1.6169 1.6169 2.1180 2.1180 2.2467 2.2467 2.2663 2.2663 6.7531 6.7531 6.9502 6.9502 7.2386 7.2386 7.6409 7.6409 7.7040 7.7040 k = 0.0000 0.0000 0.0000 ( 7935 PWs) bands (ev): -36.9491 -36.9491 -36.9485 -36.9485 -18.2305 -18.2305 -18.2120 -18.2120 -17.8680 -17.8680 -17.8409 -17.8409 -17.8393 -17.8393 -17.8295 -17.8295 -11.0312 -11.0312 -10.6579 -10.6579 -10.5960 -10.5960 -10.5911 -10.5911 -0.7313 -0.7313 0.2116 0.2116 0.5063 0.5063 0.5141 0.5141 0.9243 0.9243 1.0442 1.0442 1.0988 1.0988 1.1124 1.1124 1.6169 1.6169 2.1180 2.1180 2.2467 2.2467 2.2663 2.2663 6.7531 6.7531 6.9502 6.9502 7.2386 7.2386 7.6409 7.6409 7.7040 7.7040 k = 0.0000 0.0000 0.0137 ( 7927 PWs) bands (ev): -36.9491 -36.9491 -36.9485 -36.9485 -18.2305 -18.2305 -18.2120 -18.2120 -17.8679 -17.8679 -17.8409 -17.8409 -17.8393 -17.8393 -17.8295 -17.8295 -11.0308 -11.0308 -10.6583 -10.6583 -10.5960 -10.5960 -10.5911 -10.5911 -0.7298 -0.7298 0.2121 0.2121 0.4981 0.4981 0.5228 0.5228 0.9243 0.9243 1.0442 1.0442 1.0952 1.0952 1.1165 1.1165 1.6158 1.6158 2.1161 2.1161 2.2453 2.2453 2.2646 2.2646 6.7546 6.7546 6.9543 6.9543 7.2399 7.2399 7.6424 7.6424 7.7044 7.7044 k = 0.0000 0.0000 0.0275 ( 7929 PWs) bands (ev): -36.9491 -36.9491 -36.9485 -36.9485 -18.2304 -18.2304 -18.2121 -18.2121 -17.8678 -17.8678 -17.8409 -17.8409 -17.8394 -17.8394 -17.8296 -17.8296 -11.0295 -11.0295 -10.6595 -10.6595 -10.5961 -10.5961 -10.5913 -10.5913 -0.7253 -0.7253 0.2133 0.2133 0.4874 0.4874 0.5350 0.5350 0.9243 0.9243 1.0441 1.0441 1.0891 1.0891 1.1245 1.1245 1.6122 1.6122 2.1102 2.1102 2.2410 2.2410 2.2596 2.2596 6.7590 6.7590 6.9663 6.9663 7.2437 7.2437 7.6467 7.6467 7.7055 7.7055 k = 0.0000 0.0000 0.0412 ( 7925 PWs) bands (ev): -36.9491 -36.9491 -36.9485 -36.9485 -18.2303 -18.2303 -18.2122 -18.2122 -17.8677 -17.8677 -17.8409 -17.8409 -17.8395 -17.8395 -17.8296 -17.8296 -11.0274 -11.0274 -10.6614 -10.6614 -10.5963 -10.5963 -10.5915 -10.5915 -0.7179 -0.7179 0.2152 0.2152 0.4770 0.4770 0.5479 0.5479 0.9242 0.9242 1.0438 1.0438 1.0829 1.0829 1.1338 1.1338 1.6062 1.6062 2.1001 2.1001 2.2338 2.2338 2.2518 2.2518 6.7662 6.7662 6.9857 6.9857 7.2505 7.2505 7.6540 7.6540 7.7076 7.7076 k = 0.0000 0.0000 0.0550 ( 7933 PWs) bands (ev): -36.9491 -36.9491 -36.9485 -36.9485 -18.2302 -18.2302 -18.2123 -18.2123 -17.8675 -17.8675 -17.8408 -17.8408 -17.8397 -17.8397 -17.8297 -17.8297 -11.0245 -11.0245 -10.6643 -10.6643 -10.5965 -10.5965 -10.5918 -10.5918 -0.7076 -0.7076 0.2175 0.2175 0.4674 0.4674 0.5614 0.5614 0.9240 0.9240 1.0433 1.0433 1.0774 1.0774 1.1439 1.1439 1.5979 1.5979 2.0857 2.0857 2.2238 2.2238 2.2418 2.2418 6.7763 6.7763 7.0112 7.0112 7.2607 7.2607 7.6639 7.6639 7.7110 7.7110 k = 0.0000 0.0000 0.0687 ( 7915 PWs) bands (ev): -36.9491 -36.9491 -36.9485 -36.9485 -18.2300 -18.2300 -18.2125 -18.2125 -17.8671 -17.8671 -17.8407 -17.8407 -17.8400 -17.8400 -17.8298 -17.8298 -11.0208 -11.0208 -10.6679 -10.6679 -10.5967 -10.5967 -10.5921 -10.5921 -0.6945 -0.6945 0.2199 0.2199 0.4588 0.4588 0.5755 0.5755 0.9238 0.9238 1.0426 1.0426 1.0727 1.0727 1.1547 1.1547 1.5872 1.5872 2.0666 2.0666 2.2113 2.2113 2.2304 2.2304 6.7891 6.7891 7.0413 7.0413 7.2755 7.2755 7.6766 7.6766 7.7160 7.7160 k = 0.0000 0.0000 0.0824 ( 7911 PWs) bands (ev): -36.9491 -36.9491 -36.9485 -36.9485 -18.2298 -18.2298 -18.2127 -18.2127 -17.8668 -17.8668 -17.8408 -17.8408 -17.8401 -17.8401 -17.8299 -17.8299 -11.0163 -11.0163 -10.6724 -10.6724 -10.5970 -10.5970 -10.5924 -10.5924 -0.6785 -0.6785 0.2218 0.2218 0.4516 0.4516 0.5901 0.5901 0.9233 0.9233 1.0414 1.0414 1.0689 1.0689 1.1662 1.1662 1.5740 1.5740 2.0427 2.0427 2.1972 2.1972 2.2175 2.2175 6.8043 6.8043 7.0733 7.0733 7.2964 7.2964 7.6918 7.6918 7.7234 7.7234 k = 0.0000 0.0000 0.0962 ( 7907 PWs) bands (ev): -36.9491 -36.9491 -36.9485 -36.9485 -18.2295 -18.2295 -18.2130 -18.2130 -17.8664 -17.8664 -17.8411 -17.8411 -17.8401 -17.8401 -17.8301 -17.8301 -11.0110 -11.0110 -10.6777 -10.6777 -10.5973 -10.5973 -10.5927 -10.5927 -0.6599 -0.6599 0.2226 0.2226 0.4463 0.4463 0.6054 0.6054 0.9227 0.9227 1.0400 1.0400 1.0661 1.0661 1.1783 1.1783 1.5585 1.5585 2.0144 2.0144 2.1820 2.1820 2.2034 2.2034 6.8218 6.8218 7.1042 7.1042 7.3255 7.3255 7.7093 7.7093 7.7335 7.7336 k = 0.0000 0.0000 0.1099 ( 7913 PWs) bands (ev): -36.9491 -36.9491 -36.9485 -36.9485 -18.2292 -18.2292 -18.2133 -18.2133 -17.8659 -17.8659 -17.8415 -17.8415 -17.8400 -17.8400 -17.8303 -17.8303 -11.0049 -11.0049 -10.6838 -10.6838 -10.5976 -10.5976 -10.5930 -10.5930 -0.6388 -0.6388 0.2216 0.2216 0.4435 0.4435 0.6212 0.6212 0.9217 0.9217 1.0383 1.0383 1.0642 1.0642 1.1911 1.1911 1.5405 1.5405 1.9819 1.9819 2.1662 2.1662 2.1883 2.1883 6.8414 6.8414 7.1311 7.1311 7.3639 7.3639 7.7287 7.7287 7.7474 7.7474 k = 0.0000 0.0000 0.1236 ( 7897 PWs) bands (ev): -36.9490 -36.9490 -36.9485 -36.9485 -18.2289 -18.2289 -18.2136 -18.2136 -17.8654 -17.8654 -17.8420 -17.8420 -17.8398 -17.8398 -17.8305 -17.8305 -10.9981 -10.9981 -10.6908 -10.6908 -10.5979 -10.5979 -10.5933 -10.5933 -0.6151 -0.6151 0.2179 0.2179 0.4441 0.4441 0.6375 0.6375 0.9203 0.9203 1.0367 1.0367 1.0629 1.0629 1.2046 1.2046 1.5200 1.5200 1.9461 1.9461 2.1501 2.1501 2.1722 2.1722 6.8627 6.8627 7.1529 7.1529 7.4114 7.4114 7.7499 7.7499 7.7662 7.7662 k = 0.0000 0.0000 0.1374 ( 7907 PWs) bands (ev): -36.9490 -36.9490 -36.9486 -36.9486 -18.2285 -18.2285 -18.2140 -18.2140 -17.8648 -17.8648 -17.8426 -17.8426 -17.8396 -17.8396 -17.8308 -17.8308 -10.9906 -10.9906 -10.6985 -10.6985 -10.5981 -10.5981 -10.5936 -10.5936 -0.5892 -0.5892 0.2110 0.2110 0.4483 0.4483 0.6544 0.6544 0.9184 0.9184 1.0354 1.0354 1.0621 1.0621 1.2188 1.2188 1.4971 1.4971 1.9079 1.9079 2.1338 2.1338 2.1554 2.1554 6.8856 6.8856 7.1696 7.1696 7.4654 7.4654 7.7726 7.7727 7.7910 7.7910 k = 0.0000 0.0000 0.1511 ( 7897 PWs) bands (ev): -36.9490 -36.9490 -36.9486 -36.9486 -18.2281 -18.2281 -18.2144 -18.2144 -17.8642 -17.8642 -17.8432 -17.8432 -17.8394 -17.8394 -17.8310 -17.8310 -10.9824 -10.9824 -10.7070 -10.7070 -10.5983 -10.5983 -10.5939 -10.5939 -0.5611 -0.5611 0.2006 0.2006 0.4565 0.4565 0.6717 0.6717 0.9160 0.9160 1.0347 1.0347 1.0615 1.0615 1.2336 1.2336 1.4718 1.4718 1.8681 1.8681 2.1175 2.1175 2.1382 2.1382 6.9096 6.9096 7.1822 7.1822 7.5221 7.5221 7.7968 7.7969 7.8235 7.8235 k = 0.0000 0.0000 0.1649 ( 7891 PWs) bands (ev): -36.9490 -36.9490 -36.9486 -36.9486 -18.2276 -18.2276 -18.2148 -18.2148 -17.8635 -17.8635 -17.8439 -17.8439 -17.8391 -17.8391 -17.8313 -17.8313 -10.9736 -10.9736 -10.7162 -10.7162 -10.5984 -10.5984 -10.5942 -10.5942 -0.5310 -0.5310 0.1865 0.1865 0.4686 0.4686 0.6892 0.6892 0.9130 0.9130 1.0347 1.0347 1.0608 1.0608 1.2490 1.2490 1.4441 1.4441 1.8277 1.8277 2.1012 2.1012 2.1209 2.1209 6.9344 6.9344 7.1917 7.1917 7.5774 7.5774 7.8220 7.8220 7.8648 7.8653 k = 0.0000 0.0000 0.1786 ( 7893 PWs) bands (ev): -36.9490 -36.9490 -36.9486 -36.9486 -18.2271 -18.2271 -18.2153 -18.2153 -17.8628 -17.8628 -17.8447 -17.8447 -17.8388 -17.8388 -17.8316 -17.8316 -10.9642 -10.9642 -10.7260 -10.7260 -10.5985 -10.5985 -10.5945 -10.5945 -0.4991 -0.4991 0.1691 0.1691 0.4842 0.4842 0.7068 0.7068 0.9094 0.9094 1.0355 1.0355 1.0598 1.0598 1.2649 1.2649 1.4142 1.4142 1.7874 1.7874 2.0852 2.0852 2.1039 2.1039 6.9597 6.9597 7.1988 7.1988 7.6280 7.6280 7.8476 7.8476 7.8822 7.8823 k = 0.0000 0.0000 0.1923 ( 7881 PWs) bands (ev): -36.9490 -36.9490 -36.9486 -36.9486 -18.2266 -18.2266 -18.2158 -18.2158 -17.8620 -17.8620 -17.8454 -17.8454 -17.8385 -17.8385 -17.8319 -17.8319 -10.9542 -10.9542 -10.7364 -10.7364 -10.5986 -10.5986 -10.5948 -10.5948 -0.4657 -0.4657 0.1486 0.1486 0.5030 0.5030 0.7242 0.7242 0.9054 0.9054 1.0370 1.0370 1.0585 1.0585 1.2812 1.2812 1.3827 1.3827 1.7479 1.7479 2.0695 2.0695 2.0872 2.0872 6.9852 6.9852 7.2037 7.2037 7.6723 7.6723 7.8730 7.8730 7.8982 7.8982 k = 0.0000 0.0000 0.2061 ( 7881 PWs) bands (ev): -36.9490 -36.9490 -36.9486 -36.9486 -18.2261 -18.2261 -18.2164 -18.2164 -17.8612 -17.8612 -17.8463 -17.8463 -17.8382 -17.8382 -17.8322 -17.8322 -10.9437 -10.9437 -10.7474 -10.7474 -10.5986 -10.5986 -10.5951 -10.5951 -0.4308 -0.4308 0.1253 0.1253 0.5244 0.5244 0.7409 0.7409 0.9012 0.9012 1.0389 1.0389 1.0570 1.0570 1.2968 1.2968 1.3508 1.3508 1.7098 1.7098 2.0546 2.0546 2.0713 2.0713 7.0105 7.0105 7.2069 7.2069 7.7112 7.7112 7.8977 7.8977 7.9143 7.9143 k = 0.0000 0.0000 0.2198 ( 7887 PWs) bands (ev): -36.9489 -36.9489 -36.9486 -36.9486 -18.2255 -18.2255 -18.2169 -18.2169 -17.8604 -17.8604 -17.8471 -17.8471 -17.8379 -17.8379 -17.8326 -17.8326 -10.9327 -10.9327 -10.7588 -10.7588 -10.5985 -10.5985 -10.5954 -10.5954 -0.3948 -0.3948 0.0995 0.0995 0.5481 0.5481 0.7563 0.7563 0.8973 0.8973 1.0400 1.0400 1.0561 1.0561 1.3013 1.3013 1.3299 1.3299 1.6733 1.6733 2.0407 2.0407 2.0564 2.0564 7.0351 7.0351 7.2084 7.2084 7.7460 7.7460 7.9211 7.9211 7.9304 7.9304 k = 0.0000 0.0000 0.2335 ( 7889 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2250 -18.2250 -18.2175 -18.2175 -17.8595 -17.8595 -17.8480 -17.8480 -17.8375 -17.8375 -17.8329 -17.8329 -10.9212 -10.9212 -10.7706 -10.7706 -10.5985 -10.5985 -10.5957 -10.5957 -0.3579 -0.3579 0.0716 0.0716 0.5735 0.5735 0.7691 0.7691 0.8947 0.8947 1.0379 1.0379 1.0578 1.0578 1.2744 1.2744 1.3408 1.3408 1.6387 1.6387 2.0281 2.0281 2.0425 2.0425 7.0589 7.0589 7.2082 7.2082 7.7784 7.7784 7.9422 7.9422 7.9465 7.9465 k = 0.0000 0.0000 0.2473 ( 7886 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2244 -18.2244 -18.2181 -18.2181 -17.8586 -17.8586 -17.8489 -17.8489 -17.8372 -17.8372 -17.8333 -17.8333 -10.9094 -10.9094 -10.7828 -10.7828 -10.5983 -10.5983 -10.5960 -10.5960 -0.3202 -0.3202 0.0417 0.0417 0.6001 0.6001 0.7778 0.7778 0.8948 0.8948 1.0318 1.0318 1.0627 1.0627 1.2418 1.2418 1.3590 1.3590 1.6060 1.6060 2.0172 2.0172 2.0301 2.0301 7.0815 7.0815 7.2063 7.2063 7.8094 7.8094 7.9594 7.9594 7.9631 7.9631 k = 0.0000 0.0000 0.2610 ( 7890 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2238 -18.2238 -18.2187 -18.2187 -17.8576 -17.8576 -17.8499 -17.8499 -17.8368 -17.8368 -17.8337 -17.8337 -10.8973 -10.8973 -10.7953 -10.7953 -10.5982 -10.5982 -10.5963 -10.5963 -0.2822 -0.2822 0.0100 0.0100 0.6274 0.6274 0.7805 0.7805 0.8993 0.8993 1.0223 1.0223 1.0699 1.0699 1.2104 1.2104 1.3788 1.3788 1.5752 1.5752 2.0082 2.0082 2.0192 2.0192 7.1026 7.1026 7.2026 7.2026 7.8398 7.8398 7.9734 7.9734 7.9786 7.9786 k = 0.0000 0.0000 0.2748 ( 7906 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2231 -18.2231 -18.2194 -18.2194 -17.8567 -17.8567 -17.8509 -17.8509 -17.8364 -17.8364 -17.8341 -17.8341 -10.8849 -10.8849 -10.8079 -10.8079 -10.5980 -10.5980 -10.5966 -10.5966 -0.2439 -0.2439 -0.0233 -0.0233 0.6548 0.6548 0.7763 0.7763 0.9089 0.9089 1.0096 1.0096 1.0788 1.0788 1.1817 1.1817 1.3996 1.3996 1.5460 1.5460 2.0014 2.0014 2.0100 2.0100 7.1220 7.1220 7.1971 7.1971 7.8700 7.8700 7.9852 7.9852 7.9908 7.9908 k = 0.0000 0.0000 0.2885 ( 7914 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2225 -18.2225 -18.2200 -18.2200 -17.8558 -17.8558 -17.8518 -17.8518 -17.8361 -17.8361 -17.8345 -17.8345 -10.8723 -10.8723 -10.8208 -10.8208 -10.5978 -10.5978 -10.5969 -10.5969 -0.2057 -0.2057 -0.0578 -0.0578 0.6816 0.6816 0.7657 0.7657 0.9228 0.9228 0.9942 0.9942 1.0895 1.0895 1.1565 1.1565 1.4212 1.4212 1.5185 1.5185 1.9968 1.9968 2.0029 2.0029 7.1395 7.1395 7.1896 7.1896 7.9002 7.9002 7.9945 7.9945 7.9991 7.9992 k = 0.0000 0.0000 0.3022 ( 7906 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2219 -18.2219 -18.2206 -18.2206 -17.8548 -17.8548 -17.8528 -17.8528 -17.8357 -17.8357 -17.8349 -17.8349 -10.8595 -10.8595 -10.8337 -10.8337 -10.5976 -10.5976 -10.5971 -10.5971 -0.1677 -0.1677 -0.0936 -0.0936 0.7069 0.7069 0.7499 0.7499 0.9396 0.9396 0.9766 0.9766 1.1022 1.1022 1.1351 1.1351 1.4439 1.4439 1.4924 1.4924 1.9948 1.9948 1.9978 1.9978 7.1551 7.1551 7.1802 7.1802 7.9307 7.9307 7.9914 7.9915 8.0021 8.0029 k = 0.0000 0.0000 0.3160 ( 7898 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2213 -18.2213 -18.2212 -18.2212 -17.8538 -17.8538 -17.8537 -17.8537 -17.8353 -17.8353 -17.8352 -17.8352 -10.8466 -10.8466 -10.8466 -10.8466 -10.5974 -10.5974 -10.5974 -10.5974 -0.1303 -0.1303 -0.1303 -0.1303 0.7299 0.7299 0.7299 0.7299 0.9580 0.9580 0.9580 0.9580 1.1172 1.1172 1.1172 1.1172 1.4676 1.4676 1.4676 1.4676 1.9951 1.9951 1.9951 1.9951 7.1687 7.1687 7.1687 7.1687 7.9614 7.9614 7.9615 7.9615 8.0049 8.0050 k = 0.0000 0.0000 0.3160 ( 7898 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2213 -18.2213 -18.2212 -18.2212 -17.8538 -17.8538 -17.8537 -17.8537 -17.8353 -17.8353 -17.8352 -17.8352 -10.8466 -10.8466 -10.8466 -10.8466 -10.5974 -10.5974 -10.5974 -10.5974 -0.1303 -0.1303 -0.1303 -0.1303 0.7299 0.7299 0.7299 0.7299 0.9580 0.9580 0.9580 0.9580 1.1172 1.1172 1.1172 1.1172 1.4676 1.4676 1.4676 1.4676 1.9951 1.9951 1.9951 1.9951 7.1687 7.1687 7.1687 7.1687 7.9614 7.9614 7.9615 7.9615 8.0049 8.0050 k = 0.0135-0.0000 0.3160 ( 7902 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2215 -18.2215 -18.2211 -18.2211 -17.8538 -17.8538 -17.8537 -17.8537 -17.8356 -17.8356 -17.8351 -17.8351 -10.8463 -10.8463 -10.8463 -10.8463 -10.5975 -10.5975 -10.5974 -10.5974 -0.1309 -0.1309 -0.1284 -0.1284 0.7248 0.7248 0.7327 0.7327 0.9519 0.9519 0.9622 0.9622 1.1121 1.1121 1.1214 1.1214 1.4598 1.4598 1.4752 1.4752 1.9902 1.9902 2.0002 2.0002 7.1715 7.1715 7.1717 7.1717 7.9555 7.9555 7.9594 7.9594 8.0051 8.0061 k = 0.0270-0.0000 0.3160 ( 7896 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2217 -18.2217 -18.2209 -18.2209 -17.8538 -17.8538 -17.8537 -17.8537 -17.8360 -17.8360 -17.8350 -17.8350 -10.8455 -10.8455 -10.8455 -10.8455 -10.5977 -10.5977 -10.5975 -10.5975 -0.1302 -0.1302 -0.1252 -0.1252 0.7175 0.7175 0.7330 0.7330 0.9439 0.9439 0.9647 0.9647 1.1060 1.1060 1.1250 1.1250 1.4521 1.4521 1.4823 1.4823 1.9854 1.9854 2.0052 2.0052 7.1799 7.1799 7.1804 7.1804 7.9443 7.9443 7.9499 7.9499 8.0092 8.0096 k = 0.0405-0.0000 0.3160 ( 7898 PWs) bands (ev): -36.9488 -36.9488 -36.9487 -36.9487 -18.2220 -18.2220 -18.2208 -18.2208 -17.8538 -17.8538 -17.8536 -17.8536 -17.8365 -17.8365 -17.8351 -17.8351 -10.8442 -10.8442 -10.8441 -10.8441 -10.5981 -10.5981 -10.5978 -10.5978 -0.1282 -0.1282 -0.1208 -0.1208 0.7079 0.7079 0.7307 0.7307 0.9342 0.9342 0.9655 0.9655 1.0988 1.0988 1.1278 1.1278 1.4449 1.4449 1.4886 1.4886 1.9810 1.9810 2.0099 2.0099 7.1940 7.1940 7.1946 7.1946 7.9296 7.9296 7.9355 7.9355 8.0153 8.0156 k = 0.0541-0.0000 0.3160 ( 7894 PWs) bands (ev): -36.9488 -36.9488 -36.9487 -36.9487 -18.2223 -18.2223 -18.2207 -18.2207 -17.8537 -17.8537 -17.8535 -17.8535 -17.8371 -17.8371 -17.8353 -17.8353 -10.8423 -10.8423 -10.8421 -10.8421 -10.5986 -10.5986 -10.5981 -10.5981 -0.1250 -0.1250 -0.1150 -0.1150 0.6962 0.6962 0.7255 0.7255 0.9229 0.9229 0.9648 0.9648 1.0904 1.0904 1.1300 1.1300 1.4387 1.4387 1.4941 1.4941 1.9770 1.9770 2.0143 2.0143 7.2133 7.2133 7.2141 7.2141 7.9122 7.9122 7.9177 7.9177 8.0215 8.0216 k = 0.0676-0.0000 0.3160 ( 7898 PWs) bands (ev): -36.9488 -36.9488 -36.9487 -36.9487 -18.2226 -18.2226 -18.2207 -18.2207 -17.8536 -17.8536 -17.8534 -17.8534 -17.8378 -17.8378 -17.8356 -17.8356 -10.8398 -10.8398 -10.8397 -10.8397 -10.5992 -10.5992 -10.5986 -10.5986 -0.1205 -0.1205 -0.1081 -0.1081 0.6823 0.6823 0.7173 0.7173 0.9101 0.9101 0.9630 0.9630 1.0808 1.0808 1.1317 1.1317 1.4337 1.4337 1.4987 1.4987 1.9733 1.9733 2.0182 2.0182 7.2377 7.2377 7.2386 7.2386 7.8922 7.8922 7.8972 7.8972 8.0276 8.0279 k = 0.0811-0.0000 0.3160 ( 7900 PWs) bands (ev): -36.9488 -36.9488 -36.9486 -36.9486 -18.2230 -18.2230 -18.2207 -18.2207 -17.8535 -17.8535 -17.8533 -17.8533 -17.8386 -17.8386 -17.8359 -17.8359 -10.8369 -10.8369 -10.8367 -10.8367 -10.5999 -10.5999 -10.5992 -10.5992 -0.1148 -0.1148 -0.1000 -0.1000 0.6662 0.6662 0.7058 0.7058 0.8961 0.8961 0.9603 0.9603 1.0701 1.0701 1.1327 1.1327 1.4301 1.4301 1.5025 1.5025 1.9699 1.9699 2.0213 2.0213 7.2668 7.2668 7.2678 7.2678 7.8697 7.8697 7.8741 7.8741 8.0336 8.0341 k = 0.0946-0.0000 0.3160 ( 7904 PWs) bands (ev): -36.9487 -36.9487 -36.9486 -36.9486 -18.2234 -18.2234 -18.2207 -18.2207 -17.8533 -17.8533 -17.8532 -17.8532 -17.8395 -17.8395 -17.8364 -17.8364 -10.8335 -10.8335 -10.8333 -10.8333 -10.6007 -10.6007 -10.5999 -10.5999 -0.1080 -0.1080 -0.0907 -0.0907 0.6479 0.6479 0.6908 0.6908 0.8811 0.8811 0.9568 0.9568 1.0588 1.0588 1.1332 1.1332 1.4280 1.4280 1.5057 1.5057 1.9667 1.9667 2.0237 2.0237 7.3001 7.3001 7.3012 7.3012 7.8448 7.8448 7.8485 7.8485 8.0391 8.0393 k = 0.1081-0.0000 0.3160 ( 7910 PWs) bands (ev): -36.9487 -36.9487 -36.9486 -36.9486 -18.2238 -18.2238 -18.2208 -18.2208 -17.8532 -17.8532 -17.8531 -17.8531 -17.8404 -17.8404 -17.8370 -17.8370 -10.8296 -10.8296 -10.8294 -10.8294 -10.6017 -10.6017 -10.6007 -10.6007 -0.1001 -0.1001 -0.0804 -0.0804 0.6274 0.6274 0.6722 0.6722 0.8654 0.8654 0.9528 0.9528 1.0471 1.0471 1.1333 1.1333 1.4273 1.4273 1.5083 1.5083 1.9635 1.9635 2.0251 2.0251 7.3371 7.3371 7.3383 7.3383 7.8175 7.8175 7.8206 7.8206 8.0446 8.0452 k = 0.1216-0.0000 0.3160 ( 7914 PWs) bands (ev): -36.9487 -36.9487 -36.9485 -36.9485 -18.2242 -18.2242 -18.2209 -18.2209 -17.8532 -17.8532 -17.8529 -17.8529 -17.8413 -17.8413 -17.8377 -17.8377 -10.8253 -10.8253 -10.8250 -10.8250 -10.6027 -10.6027 -10.6017 -10.6017 -0.0912 -0.0912 -0.0692 -0.0692 0.6047 0.6047 0.6501 0.6501 0.8492 0.8492 0.9482 0.9482 1.0356 1.0356 1.1330 1.1330 1.4280 1.4280 1.5106 1.5106 1.9603 1.9603 2.0256 2.0256 7.3772 7.3772 7.3785 7.3785 7.7880 7.7880 7.7906 7.7906 8.0500 8.0530 k = 0.1351-0.0000 0.3160 ( 7918 PWs) bands (ev): -36.9486 -36.9486 -36.9485 -36.9485 -18.2247 -18.2247 -18.2210 -18.2210 -17.8532 -17.8532 -17.8528 -17.8528 -17.8422 -17.8422 -17.8384 -17.8384 -10.8205 -10.8205 -10.8202 -10.8202 -10.6038 -10.6038 -10.6027 -10.6027 -0.0813 -0.0813 -0.0570 -0.0570 0.5801 0.5801 0.6246 0.6246 0.8327 0.8327 0.9430 0.9430 1.0248 1.0248 1.1323 1.1323 1.4299 1.4299 1.5125 1.5125 1.9568 1.9568 2.0250 2.0250 7.4198 7.4198 7.4213 7.4213 7.7564 7.7564 7.7585 7.7585 8.0557 8.0579 k = 0.1486-0.0000 0.3160 ( 7916 PWs) bands (ev): -36.9486 -36.9486 -36.9484 -36.9484 -18.2252 -18.2252 -18.2212 -18.2212 -17.8534 -17.8534 -17.8526 -17.8526 -17.8430 -17.8430 -17.8392 -17.8392 -10.8154 -10.8154 -10.8151 -10.8151 -10.6051 -10.6051 -10.6038 -10.6038 -0.0706 -0.0706 -0.0442 -0.0442 0.5535 0.5535 0.5958 0.5958 0.8163 0.8163 0.9373 0.9373 1.0150 1.0150 1.1314 1.1314 1.4327 1.4327 1.5144 1.5144 1.9531 1.9531 2.0233 2.0233 7.4643 7.4643 7.4660 7.4660 7.7229 7.7229 7.7247 7.7247 8.0613 8.0637 k = 0.1622-0.0000 0.3160 ( 7920 PWs) bands (ev): -36.9485 -36.9485 -36.9484 -36.9484 -18.2258 -18.2258 -18.2214 -18.2214 -17.8538 -17.8538 -17.8525 -17.8525 -17.8437 -17.8437 -17.8400 -17.8400 -10.8099 -10.8099 -10.8096 -10.8096 -10.6064 -10.6064 -10.6050 -10.6050 -0.0591 -0.0591 -0.0308 -0.0308 0.5252 0.5252 0.5643 0.5643 0.8001 0.8001 0.9311 0.9311 1.0064 1.0064 1.1301 1.1301 1.4363 1.4363 1.5162 1.5162 1.9488 1.9488 2.0205 2.0205 7.5099 7.5099 7.5120 7.5120 7.6878 7.6878 7.6893 7.6893 8.0674 8.0690 k = 0.1757-0.0000 0.3160 ( 7916 PWs) bands (ev): -36.9485 -36.9485 -36.9483 -36.9483 -18.2263 -18.2263 -18.2216 -18.2216 -17.8544 -17.8544 -17.8524 -17.8524 -17.8442 -17.8442 -17.8408 -17.8408 -10.8041 -10.8041 -10.8037 -10.8037 -10.6078 -10.6078 -10.6063 -10.6063 -0.0468 -0.0468 -0.0171 -0.0171 0.4957 0.4957 0.5302 0.5302 0.7844 0.7844 0.9246 0.9246 0.9989 0.9989 1.1285 1.1285 1.4405 1.4405 1.5181 1.5181 1.9441 1.9441 2.0166 2.0166 7.5557 7.5557 7.5587 7.5587 7.6513 7.6513 7.6531 7.6531 8.0741 8.0758 k = 0.1892-0.0000 0.3160 ( 7922 PWs) bands (ev): -36.9484 -36.9484 -36.9483 -36.9483 -18.2269 -18.2269 -18.2218 -18.2218 -17.8552 -17.8552 -17.8523 -17.8523 -17.8445 -17.8445 -17.8415 -17.8415 -10.7981 -10.7981 -10.7976 -10.7976 -10.6092 -10.6092 -10.6077 -10.6077 -0.0340 -0.0340 -0.0032 -0.0032 0.4651 0.4651 0.4942 0.4942 0.7694 0.7694 0.9181 0.9181 0.9924 0.9924 1.1265 1.1265 1.4453 1.4453 1.5202 1.5202 1.9386 1.9386 2.0117 2.0117 7.5949 7.5949 7.6013 7.6013 7.6179 7.6179 7.6225 7.6225 8.0821 8.0825 k = 0.2027-0.0000 0.3160 ( 7914 PWs) bands (ev): -36.9483 -36.9483 -36.9482 -36.9482 -18.2275 -18.2275 -18.2221 -18.2221 -17.8562 -17.8562 -17.8524 -17.8524 -17.8446 -17.8446 -17.8422 -17.8422 -10.7918 -10.7918 -10.7913 -10.7913 -10.6108 -10.6108 -10.6091 -10.6091 -0.0208 -0.0208 0.0104 0.0104 0.4342 0.4342 0.4567 0.4567 0.7552 0.7552 0.9118 0.9118 0.9866 0.9866 1.1242 1.1242 1.4506 1.4506 1.5225 1.5225 1.9326 1.9326 2.0057 2.0057 7.5719 7.5719 7.5731 7.5731 7.6527 7.6527 7.6543 7.6543 8.0886 8.0904 k = 0.2162-0.0000 0.3160 ( 7908 PWs) bands (ev): -36.9483 -36.9483 -36.9481 -36.9481 -18.2281 -18.2281 -18.2223 -18.2223 -17.8573 -17.8573 -17.8526 -17.8526 -17.8446 -17.8446 -17.8428 -17.8428 -10.7852 -10.7852 -10.7848 -10.7848 -10.6124 -10.6124 -10.6106 -10.6106 -0.0072 -0.0072 0.0232 0.0232 0.4034 0.4034 0.4182 0.4182 0.7419 0.7419 0.9059 0.9059 0.9811 0.9811 1.1214 1.1214 1.4563 1.4563 1.5251 1.5251 1.9258 1.9258 1.9986 1.9986 7.5334 7.5334 7.5339 7.5339 7.6969 7.6969 7.7001 7.7001 8.0968 8.0993 k = 0.2297-0.0000 0.3160 ( 7908 PWs) bands (ev): -36.9482 -36.9482 -36.9481 -36.9481 -18.2287 -18.2287 -18.2227 -18.2227 -17.8586 -17.8586 -17.8529 -17.8529 -17.8445 -17.8445 -17.8432 -17.8432 -10.7786 -10.7786 -10.7781 -10.7781 -10.6140 -10.6140 -10.6122 -10.6122 0.0065 0.0065 0.0348 0.0348 0.3738 0.3738 0.3793 0.3793 0.7297 0.7297 0.9008 0.9008 0.9759 0.9759 1.1181 1.1181 1.4623 1.4623 1.5281 1.5281 1.9183 1.9183 1.9906 1.9906 7.4938 7.4938 7.4942 7.4942 7.7404 7.7404 7.7451 7.7451 8.1062 8.1072 k = 0.2432-0.0000 0.3160 ( 7916 PWs) bands (ev): -36.9481 -36.9481 -36.9480 -36.9480 -18.2294 -18.2294 -18.2230 -18.2230 -17.8600 -17.8600 -17.8534 -17.8534 -17.8442 -17.8442 -17.8436 -17.8436 -10.7718 -10.7718 -10.7713 -10.7713 -10.6157 -10.6157 -10.6138 -10.6138 0.0202 0.0202 0.0442 0.0442 0.3403 0.3403 0.3462 0.3462 0.7188 0.7188 0.8964 0.8964 0.9707 0.9707 1.1142 1.1142 1.4687 1.4687 1.5314 1.5314 1.9100 1.9100 1.9817 1.9817 7.4541 7.4541 7.4543 7.4543 7.7822 7.7822 7.7885 7.7885 8.1156 8.1157 k = 0.2568-0.0000 0.3160 ( 7904 PWs) bands (ev): -36.9481 -36.9481 -36.9479 -36.9479 -18.2300 -18.2300 -18.2233 -18.2233 -17.8614 -17.8614 -17.8540 -17.8540 -17.8439 -17.8439 -17.8437 -17.8437 -10.7649 -10.7649 -10.7644 -10.7644 -10.6175 -10.6175 -10.6155 -10.6155 0.0336 0.0336 0.0503 0.0503 0.3019 0.3019 0.3219 0.3219 0.7090 0.7090 0.8928 0.8928 0.9653 0.9653 1.1097 1.1097 1.4754 1.4754 1.5352 1.5352 1.9011 1.9011 1.9719 1.9719 7.4145 7.4145 7.4147 7.4147 7.8218 7.8218 7.8300 7.8300 8.1247 8.1265 k = 0.2703-0.0000 0.3160 ( 7906 PWs) bands (ev): -36.9480 -36.9480 -36.9479 -36.9479 -18.2306 -18.2306 -18.2237 -18.2237 -17.8629 -17.8629 -17.8547 -17.8547 -17.8438 -17.8438 -17.8436 -17.8436 -10.7580 -10.7580 -10.7575 -10.7575 -10.6193 -10.6193 -10.6172 -10.6172 0.0462 0.0462 0.0519 0.0519 0.2648 0.2648 0.3024 0.3024 0.7006 0.7006 0.8901 0.8901 0.9599 0.9599 1.1045 1.1045 1.4824 1.4824 1.5394 1.5394 1.8915 1.8915 1.9612 1.9612 7.3754 7.3754 7.3755 7.3755 7.8588 7.8588 7.8692 7.8692 8.1349 8.1366 k = 0.2838-0.0000 0.3160 ( 7898 PWs) bands (ev): -36.9480 -36.9480 -36.9478 -36.9478 -18.2312 -18.2312 -18.2240 -18.2240 -17.8643 -17.8643 -17.8555 -17.8555 -17.8437 -17.8437 -17.8432 -17.8432 -10.7512 -10.7512 -10.7506 -10.7506 -10.6211 -10.6211 -10.6190 -10.6190 0.0479 0.0479 0.0572 0.0572 0.2299 0.2299 0.2889 0.2889 0.6935 0.6935 0.8880 0.8880 0.9544 0.9544 1.0987 1.0987 1.4896 1.4896 1.5441 1.5441 1.8813 1.8813 1.9499 1.9499 7.3370 7.3370 7.3371 7.3371 7.8927 7.8927 7.9054 7.9054 8.1459 8.1472 k = 0.2973-0.0000 0.3160 ( 7894 PWs) bands (ev): -36.9479 -36.9479 -36.9478 -36.9478 -18.2319 -18.2319 -18.2244 -18.2244 -17.8657 -17.8657 -17.8564 -17.8564 -17.8435 -17.8435 -17.8428 -17.8428 -10.7443 -10.7443 -10.7437 -10.7437 -10.6230 -10.6230 -10.6208 -10.6208 0.0380 0.0380 0.0653 0.0653 0.1989 0.1989 0.2817 0.2817 0.6879 0.6879 0.8864 0.8864 0.9491 0.9491 1.0922 1.0922 1.4972 1.4972 1.5493 1.5493 1.8706 1.8706 1.9379 1.9379 7.2996 7.2996 7.2996 7.2996 7.9232 7.9232 7.9383 7.9383 8.1589 8.1590 k = 0.3108-0.0000 0.3160 ( 7896 PWs) bands (ev): -36.9478 -36.9478 -36.9477 -36.9477 -18.2325 -18.2325 -18.2247 -18.2247 -17.8671 -17.8671 -17.8573 -17.8573 -17.8433 -17.8433 -17.8424 -17.8424 -10.7376 -10.7376 -10.7370 -10.7370 -10.6249 -10.6249 -10.6226 -10.6226 0.0230 0.0230 0.0674 0.0674 0.1749 0.1749 0.2803 0.2803 0.6837 0.6837 0.8850 0.8850 0.9441 0.9441 1.0850 1.0850 1.5049 1.5049 1.5550 1.5550 1.8593 1.8593 1.9254 1.9254 7.2634 7.2634 7.2635 7.2635 7.9500 7.9500 7.9673 7.9673 8.1736 8.1746 k = 0.3243-0.0000 0.3160 ( 7904 PWs) bands (ev): -36.9478 -36.9478 -36.9476 -36.9476 -18.2331 -18.2331 -18.2251 -18.2251 -17.8685 -17.8685 -17.8582 -17.8582 -17.8431 -17.8431 -17.8420 -17.8420 -10.7310 -10.7310 -10.7303 -10.7303 -10.6268 -10.6268 -10.6244 -10.6244 0.0041 0.0041 0.0597 0.0597 0.1620 0.1620 0.2834 0.2834 0.6810 0.6810 0.8834 0.8834 0.9400 0.9400 1.0773 1.0773 1.5129 1.5129 1.5611 1.5611 1.8476 1.8476 1.9124 1.9124 7.2286 7.2286 7.2288 7.2288 7.9730 7.9730 7.9920 7.9920 8.1907 8.1909 k = 0.3378-0.0000 0.3160 ( 7904 PWs) bands (ev): -36.9477 -36.9477 -36.9476 -36.9476 -18.2337 -18.2337 -18.2255 -18.2255 -17.8698 -17.8698 -17.8591 -17.8591 -17.8428 -17.8428 -17.8416 -17.8416 -10.7245 -10.7245 -10.7239 -10.7239 -10.6287 -10.6287 -10.6263 -10.6263 -0.0170 -0.0170 0.0421 0.0421 0.1602 0.1602 0.2894 0.2894 0.6797 0.6797 0.8810 0.8810 0.9371 0.9371 1.0690 1.0690 1.5210 1.5210 1.5677 1.5677 1.8356 1.8356 1.8990 1.8990 7.1955 7.1955 7.1957 7.1957 7.9922 7.9922 8.0124 8.0124 8.2100 8.2102 k = 0.3514-0.0000 0.3160 ( 7900 PWs) bands (ev): -36.9477 -36.9477 -36.9475 -36.9475 -18.2342 -18.2342 -18.2258 -18.2258 -17.8710 -17.8710 -17.8600 -17.8600 -17.8426 -17.8426 -17.8412 -17.8412 -10.7183 -10.7183 -10.7176 -10.7176 -10.6307 -10.6307 -10.6283 -10.6283 -0.0390 -0.0390 0.0192 0.0192 0.1652 0.1652 0.2972 0.2972 0.6797 0.6797 0.8775 0.8775 0.9359 0.9359 1.0604 1.0604 1.5293 1.5293 1.5746 1.5746 1.8234 1.8234 1.8855 1.8855 7.1642 7.1642 7.1646 7.1646 8.0081 8.0081 8.0288 8.0288 8.2312 8.2318 k = 0.3649-0.0000 0.3160 ( 7896 PWs) bands (ev): -36.9476 -36.9476 -36.9475 -36.9475 -18.2348 -18.2348 -18.2261 -18.2261 -17.8721 -17.8721 -17.8609 -17.8609 -17.8423 -17.8423 -17.8408 -17.8408 -10.7122 -10.7122 -10.7116 -10.7116 -10.6327 -10.6327 -10.6302 -10.6302 -0.0610 -0.0610 -0.0052 -0.0052 0.1731 0.1731 0.3057 0.3057 0.6810 0.6810 0.8729 0.8729 0.9364 0.9364 1.0515 1.0515 1.5375 1.5375 1.5819 1.5819 1.8110 1.8110 1.8719 1.8719 7.1351 7.1351 7.1355 7.1355 8.0209 8.0209 8.0417 8.0417 8.2534 8.2536 k = 0.3784-0.0000 0.3160 ( 7904 PWs) bands (ev): -36.9476 -36.9476 -36.9474 -36.9474 -18.2353 -18.2353 -18.2265 -18.2265 -17.8732 -17.8732 -17.8616 -17.8616 -17.8420 -17.8420 -17.8405 -17.8405 -10.7065 -10.7065 -10.7058 -10.7058 -10.6348 -10.6348 -10.6322 -10.6322 -0.0822 -0.0822 -0.0291 -0.0291 0.1821 0.1821 0.3143 0.3143 0.6834 0.6834 0.8672 0.8672 0.9383 0.9383 1.0424 1.0424 1.5458 1.5458 1.5894 1.5894 1.7986 1.7986 1.8584 1.8584 7.1081 7.1081 7.1086 7.1086 8.0313 8.0313 8.0517 8.0517 8.2758 8.2789 k = 0.3919-0.0000 0.3160 ( 7896 PWs) bands (ev): -36.9475 -36.9475 -36.9474 -36.9474 -18.2357 -18.2357 -18.2268 -18.2268 -17.8742 -17.8742 -17.8624 -17.8624 -17.8418 -17.8418 -17.8402 -17.8402 -10.7010 -10.7010 -10.7004 -10.7004 -10.6368 -10.6368 -10.6342 -10.6342 -0.1021 -0.1021 -0.0515 -0.0515 0.1913 0.1913 0.3226 0.3226 0.6868 0.6868 0.8610 0.8610 0.9413 0.9413 1.0335 1.0335 1.5540 1.5540 1.5972 1.5972 1.7862 1.7862 1.8452 1.8452 7.0835 7.0835 7.0841 7.0841 8.0397 8.0397 8.0596 8.0596 8.2975 8.2977 k = 0.4054-0.0000 0.3160 ( 7888 PWs) bands (ev): -36.9475 -36.9475 -36.9473 -36.9473 -18.2361 -18.2361 -18.2270 -18.2270 -17.8750 -17.8750 -17.8630 -17.8630 -17.8415 -17.8415 -17.8399 -17.8399 -10.6958 -10.6958 -10.6952 -10.6952 -10.6389 -10.6389 -10.6362 -10.6362 -0.1203 -0.1203 -0.0719 -0.0719 0.2001 0.2001 0.3303 0.3303 0.6909 0.6909 0.8546 0.8546 0.9449 0.9449 1.0247 1.0247 1.5619 1.5619 1.6051 1.6051 1.7741 1.7741 1.8325 1.8325 7.0615 7.0615 7.0621 7.0621 8.0464 8.0464 8.0657 8.0657 8.3179 8.3180 k = 0.4189-0.0000 0.3160 ( 7888 PWs) bands (ev): -36.9475 -36.9475 -36.9473 -36.9473 -18.2365 -18.2365 -18.2273 -18.2273 -17.8758 -17.8758 -17.8636 -17.8636 -17.8413 -17.8413 -17.8396 -17.8396 -10.6910 -10.6910 -10.6905 -10.6905 -10.6410 -10.6410 -10.6382 -10.6382 -0.1366 -0.1366 -0.0900 -0.0900 0.2081 0.2081 0.3371 0.3371 0.6954 0.6954 0.8483 0.8483 0.9488 0.9488 1.0164 1.0164 1.5694 1.5694 1.6131 1.6131 1.7623 1.7623 1.8205 1.8205 7.0421 7.0421 7.0428 7.0428 8.0517 8.0517 8.0705 8.0705 8.3362 8.3363 k = 0.4324-0.0000 0.3160 ( 7894 PWs) bands (ev): -36.9474 -36.9474 -36.9473 -36.9473 -18.2368 -18.2368 -18.2275 -18.2275 -17.8764 -17.8764 -17.8641 -17.8641 -17.8411 -17.8411 -17.8394 -17.8394 -10.6866 -10.6866 -10.6861 -10.6861 -10.6430 -10.6430 -10.6401 -10.6401 -0.1507 -0.1507 -0.1056 -0.1056 0.2153 0.2153 0.3430 0.3430 0.7000 0.7000 0.8425 0.8425 0.9527 0.9527 1.0088 1.0088 1.5765 1.5765 1.6211 1.6211 1.7510 1.7510 1.8095 1.8095 7.0255 7.0255 7.0262 7.0262 8.0560 8.0560 8.0742 8.0742 8.3520 8.3523 k = 0.4459-0.0000 0.3160 ( 7896 PWs) bands (ev): -36.9474 -36.9474 -36.9473 -36.9473 -18.2370 -18.2370 -18.2277 -18.2277 -17.8770 -17.8770 -17.8645 -17.8645 -17.8410 -17.8410 -17.8392 -17.8392 -10.6827 -10.6827 -10.6823 -10.6823 -10.6450 -10.6450 -10.6420 -10.6420 -0.1624 -0.1624 -0.1186 -0.1186 0.2214 0.2214 0.3478 0.3478 0.7044 0.7044 0.8374 0.8374 0.9562 0.9562 1.0021 1.0021 1.5828 1.5828 1.6288 1.6288 1.7405 1.7405 1.7998 1.7998 7.0118 7.0118 7.0125 7.0125 8.0593 8.0593 8.0771 8.0771 8.3652 8.3657 k = 0.4595-0.0000 0.3160 ( 7884 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2372 -18.2372 -18.2278 -18.2278 -17.8774 -17.8774 -17.8648 -17.8648 -17.8408 -17.8408 -17.8390 -17.8390 -10.6793 -10.6793 -10.6790 -10.6790 -10.6469 -10.6469 -10.6437 -10.6437 -0.1716 -0.1716 -0.1287 -0.1287 0.2262 0.2262 0.3516 0.3516 0.7083 0.7083 0.8332 0.8332 0.9592 0.9592 0.9966 0.9966 1.5881 1.5881 1.6360 1.6360 1.7310 1.7310 1.7917 1.7917 7.0010 7.0010 7.0018 7.0018 8.0618 8.0618 8.0792 8.0792 8.3755 8.3766 k = 0.4730-0.0000 0.3160 ( 7882 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2374 -18.2374 -18.2279 -18.2279 -17.8777 -17.8777 -17.8651 -17.8651 -17.8407 -17.8407 -17.8389 -17.8389 -10.6767 -10.6767 -10.6765 -10.6765 -10.6484 -10.6484 -10.6451 -10.6451 -0.1783 -0.1783 -0.1360 -0.1360 0.2298 0.2298 0.3544 0.3544 0.7113 0.7113 0.8301 0.8301 0.9614 0.9614 0.9925 0.9925 1.5922 1.5922 1.6422 1.6422 1.7233 1.7233 1.7856 1.7856 6.9933 6.9933 6.9941 6.9941 8.0635 8.0635 8.0806 8.0806 8.3829 8.3841 k = 0.4865-0.0000 0.3160 ( 7866 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2375 -18.2375 -18.2279 -18.2279 -17.8779 -17.8779 -17.8652 -17.8652 -17.8407 -17.8407 -17.8389 -17.8389 -10.6749 -10.6749 -10.6749 -10.6749 -10.6495 -10.6495 -10.6461 -10.6461 -0.1823 -0.1823 -0.1404 -0.1404 0.2319 0.2319 0.3560 0.3560 0.7133 0.7133 0.8282 0.8282 0.9628 0.9628 0.9899 0.9899 1.5948 1.5948 1.6465 1.6465 1.7179 1.7179 1.7817 1.7817 6.9886 6.9886 6.9894 6.9894 8.0645 8.0645 8.0815 8.0815 8.3874 8.3876 k = 0.5000-0.0000 0.3160 ( 7868 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2375 -18.2375 -18.2279 -18.2279 -17.8779 -17.8779 -17.8652 -17.8652 -17.8406 -17.8406 -17.8388 -17.8388 -10.6743 -10.6743 -10.6743 -10.6743 -10.6499 -10.6499 -10.6465 -10.6465 -0.1837 -0.1837 -0.1419 -0.1419 0.2327 0.2327 0.3565 0.3565 0.7140 0.7140 0.8276 0.8276 0.9633 0.9633 0.9890 0.9890 1.5957 1.5957 1.6481 1.6481 1.7160 1.7160 1.7804 1.7804 6.9871 6.9871 6.9879 6.9879 8.0649 8.0649 8.0818 8.0818 8.3889 8.3889 k = 0.5000-0.0000 0.3160 ( 7868 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2375 -18.2375 -18.2279 -18.2279 -17.8779 -17.8779 -17.8652 -17.8652 -17.8406 -17.8406 -17.8388 -17.8388 -10.6743 -10.6743 -10.6743 -10.6743 -10.6499 -10.6499 -10.6465 -10.6465 -0.1837 -0.1837 -0.1419 -0.1419 0.2327 0.2327 0.3565 0.3565 0.7140 0.7140 0.8276 0.8276 0.9633 0.9633 0.9890 0.9890 1.5957 1.5957 1.6481 1.6481 1.7160 1.7160 1.7804 1.7804 6.9871 6.9871 6.9879 6.9879 8.0649 8.0649 8.0818 8.0818 8.3889 8.3889 k = 0.5000 0.0137 0.3160 ( 7876 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2375 -18.2375 -18.2280 -18.2280 -17.8779 -17.8779 -17.8652 -17.8652 -17.8407 -17.8407 -17.8389 -17.8389 -10.6743 -10.6743 -10.6743 -10.6743 -10.6499 -10.6499 -10.6465 -10.6465 -0.1849 -0.1849 -0.1432 -0.1432 0.2326 0.2326 0.3566 0.3566 0.7126 0.7126 0.8279 0.8279 0.9638 0.9638 0.9909 0.9909 1.5959 1.5959 1.6482 1.6482 1.7173 1.7173 1.7817 1.7817 6.9884 6.9884 6.9892 6.9892 8.0639 8.0639 8.0808 8.0808 8.3885 8.3885 k = 0.5000 0.0275 0.3160 ( 7876 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2374 -18.2374 -18.2280 -18.2280 -17.8779 -17.8779 -17.8653 -17.8653 -17.8407 -17.8407 -17.8389 -17.8389 -10.6743 -10.6743 -10.6742 -10.6742 -10.6499 -10.6499 -10.6465 -10.6465 -0.1884 -0.1884 -0.1472 -0.1472 0.2322 0.2322 0.3568 0.3568 0.7091 0.7091 0.8291 0.8291 0.9653 0.9653 0.9964 0.9964 1.5966 1.5966 1.6488 1.6488 1.7211 1.7211 1.7855 1.7855 6.9922 6.9922 6.9931 6.9931 8.0609 8.0609 8.0777 8.0777 8.3875 8.3883 k = 0.5000 0.0412 0.3160 ( 7896 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2374 -18.2374 -18.2281 -18.2281 -17.8778 -17.8778 -17.8653 -17.8653 -17.8408 -17.8408 -17.8390 -17.8390 -10.6742 -10.6742 -10.6742 -10.6742 -10.6499 -10.6499 -10.6465 -10.6465 -0.1940 -0.1940 -0.1536 -0.1536 0.2313 0.2313 0.3567 0.3567 0.7041 0.7041 0.8313 0.8313 0.9675 0.9675 1.0048 1.0048 1.5979 1.5979 1.6498 1.6498 1.7271 1.7271 1.7917 1.7917 6.9986 6.9986 6.9996 6.9996 8.0561 8.0561 8.0726 8.0726 8.3857 8.3861 k = 0.5000 0.0550 0.3160 ( 7908 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2374 -18.2374 -18.2281 -18.2281 -17.8777 -17.8777 -17.8653 -17.8653 -17.8408 -17.8408 -17.8390 -17.8390 -10.6741 -10.6741 -10.6741 -10.6741 -10.6500 -10.6500 -10.6466 -10.6466 -0.2016 -0.2016 -0.1622 -0.1622 0.2298 0.2298 0.3556 0.3556 0.6990 0.6990 0.8347 0.8347 0.9702 0.9702 1.0152 1.0152 1.5998 1.5998 1.6516 1.6516 1.7351 1.7351 1.8000 1.8000 7.0076 7.0076 7.0086 7.0086 8.0495 8.0495 8.0656 8.0656 8.3832 8.3837 k = 0.5000 0.0687 0.3160 ( 7912 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2373 -18.2373 -18.2282 -18.2282 -17.8775 -17.8775 -17.8654 -17.8654 -17.8409 -17.8409 -17.8391 -17.8391 -10.6740 -10.6740 -10.6740 -10.6740 -10.6500 -10.6500 -10.6467 -10.6467 -0.2108 -0.2108 -0.1725 -0.1725 0.2273 0.2273 0.3529 0.3529 0.6950 0.6950 0.8396 0.8396 0.9733 0.9733 1.0269 1.0269 1.6024 1.6024 1.6544 1.6544 1.7448 1.7448 1.8101 1.8101 7.0191 7.0191 7.0202 7.0202 8.0410 8.0410 8.0568 8.0568 8.3801 8.3849 k = 0.5000 0.0824 0.3160 ( 7924 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2371 -18.2371 -18.2283 -18.2283 -17.8773 -17.8773 -17.8655 -17.8655 -17.8410 -17.8410 -17.8392 -17.8392 -10.6739 -10.6739 -10.6739 -10.6739 -10.6500 -10.6500 -10.6468 -10.6468 -0.2212 -0.2212 -0.1842 -0.1842 0.2236 0.2236 0.3480 0.3480 0.6930 0.6930 0.8461 0.8461 0.9765 0.9765 1.0390 1.0390 1.6059 1.6059 1.6581 1.6581 1.7558 1.7558 1.8217 1.8217 7.0330 7.0330 7.0343 7.0343 8.0309 8.0309 8.0462 8.0462 8.3763 8.3767 k = 0.5000 0.0962 0.3160 ( 7920 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2370 -18.2370 -18.2284 -18.2284 -17.8771 -17.8771 -17.8655 -17.8655 -17.8411 -17.8411 -17.8393 -17.8393 -10.6738 -10.6738 -10.6737 -10.6737 -10.6500 -10.6500 -10.6469 -10.6469 -0.2325 -0.2325 -0.1970 -0.1970 0.2187 0.2187 0.3406 0.3406 0.6939 0.6939 0.8542 0.8542 0.9797 0.9797 1.0511 1.0511 1.6102 1.6102 1.6629 1.6629 1.7680 1.7680 1.8344 1.8344 7.0494 7.0494 7.0509 7.0509 8.0192 8.0192 8.0340 8.0340 8.3720 8.3725 k = 0.5000 0.1099 0.3160 ( 7912 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2368 -18.2368 -18.2286 -18.2286 -17.8768 -17.8768 -17.8656 -17.8656 -17.8412 -17.8412 -17.8394 -17.8394 -10.6736 -10.6736 -10.6736 -10.6736 -10.6501 -10.6501 -10.6470 -10.6470 -0.2443 -0.2443 -0.2104 -0.2104 0.2124 0.2124 0.3304 0.3304 0.6979 0.6979 0.8638 0.8638 0.9829 0.9829 1.0627 1.0627 1.6154 1.6154 1.6687 1.6687 1.7810 1.7810 1.8480 1.8480 7.0682 7.0682 7.0699 7.0699 8.0061 8.0061 8.0203 8.0203 8.3670 8.3677 k = 0.5000 0.1237 0.3160 ( 7912 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2367 -18.2367 -18.2287 -18.2287 -17.8765 -17.8765 -17.8657 -17.8657 -17.8413 -17.8413 -17.8395 -17.8395 -10.6735 -10.6735 -10.6734 -10.6734 -10.6501 -10.6501 -10.6471 -10.6471 -0.2565 -0.2565 -0.2241 -0.2241 0.2050 0.2050 0.3177 0.3177 0.7049 0.7049 0.8745 0.8745 0.9860 0.9860 1.0736 1.0736 1.6215 1.6215 1.6753 1.6753 1.7947 1.7947 1.8620 1.8620 7.0893 7.0893 7.0912 7.0912 7.9915 7.9915 8.0051 8.0051 8.3615 8.3635 k = 0.5000 0.1374 0.3160 ( 7924 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2365 -18.2365 -18.2289 -18.2289 -17.8762 -17.8762 -17.8659 -17.8659 -17.8414 -17.8414 -17.8397 -17.8397 -10.6733 -10.6733 -10.6732 -10.6732 -10.6501 -10.6501 -10.6472 -10.6472 -0.2687 -0.2687 -0.2380 -0.2380 0.1965 0.1965 0.3029 0.3029 0.7145 0.7145 0.8859 0.8859 0.9893 0.9893 1.0836 1.0836 1.6285 1.6285 1.6827 1.6827 1.8088 1.8088 1.8762 1.8762 7.1126 7.1126 7.1148 7.1148 7.9756 7.9756 7.9885 7.9885 8.3562 8.3568 k = 0.5000 0.1511 0.3160 ( 7928 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2363 -18.2363 -18.2291 -18.2291 -17.8759 -17.8759 -17.8660 -17.8660 -17.8415 -17.8415 -17.8398 -17.8398 -10.6731 -10.6731 -10.6730 -10.6730 -10.6501 -10.6501 -10.6474 -10.6474 -0.2807 -0.2807 -0.2517 -0.2517 0.1873 0.1873 0.2866 0.2866 0.7261 0.7261 0.8972 0.8972 0.9932 0.9932 1.0926 1.0926 1.6361 1.6361 1.6905 1.6905 1.8232 1.8232 1.8901 1.8901 7.1381 7.1381 7.1406 7.1406 7.9585 7.9585 7.9708 7.9708 8.3489 8.3493 k = 0.5000 0.1649 0.3160 ( 7936 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2360 -18.2360 -18.2293 -18.2293 -17.8755 -17.8755 -17.8662 -17.8662 -17.8416 -17.8416 -17.8400 -17.8400 -10.6729 -10.6729 -10.6728 -10.6728 -10.6502 -10.6502 -10.6476 -10.6476 -0.2922 -0.2922 -0.2651 -0.2651 0.1776 0.1776 0.2694 0.2694 0.7393 0.7393 0.9076 0.9076 0.9982 0.9982 1.1005 1.1005 1.6445 1.6445 1.6987 1.6987 1.8376 1.8376 1.9036 1.9036 7.1656 7.1656 7.1684 7.1684 7.9400 7.9400 7.9517 7.9517 8.3431 8.3456 k = 0.5000 0.1786 0.3160 ( 7948 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2358 -18.2358 -18.2295 -18.2295 -17.8751 -17.8751 -17.8664 -17.8664 -17.8417 -17.8417 -17.8402 -17.8402 -10.6727 -10.6727 -10.6726 -10.6726 -10.6502 -10.6502 -10.6477 -10.6477 -0.3032 -0.3032 -0.2779 -0.2779 0.1676 0.1676 0.2516 0.2516 0.7534 0.7534 0.9163 0.9163 1.0048 1.0048 1.1075 1.1075 1.6533 1.6533 1.7070 1.7070 1.8519 1.8519 1.9164 1.9164 7.1951 7.1951 7.1982 7.1982 7.9203 7.9203 7.9314 7.9314 8.3360 8.3382 k = 0.5000 0.1923 0.3160 ( 7944 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2356 -18.2356 -18.2297 -18.2297 -17.8747 -17.8747 -17.8666 -17.8666 -17.8418 -17.8418 -17.8404 -17.8404 -10.6726 -10.6726 -10.6724 -10.6724 -10.6502 -10.6502 -10.6479 -10.6479 -0.3134 -0.3134 -0.2901 -0.2901 0.1578 0.1578 0.2339 0.2339 0.7680 0.7680 0.9225 0.9225 1.0134 1.0134 1.1136 1.1136 1.6626 1.6626 1.7151 1.7151 1.8659 1.8659 1.9282 1.9282 7.2263 7.2263 7.2298 7.2298 7.8992 7.8992 7.9098 7.9098 8.3277 8.3286 k = 0.5000 0.2061 0.3160 ( 7936 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2353 -18.2353 -18.2300 -18.2300 -17.8742 -17.8742 -17.8668 -17.8668 -17.8419 -17.8419 -17.8405 -17.8405 -10.6724 -10.6724 -10.6722 -10.6722 -10.6502 -10.6502 -10.6481 -10.6481 -0.3228 -0.3228 -0.3016 -0.3016 0.1484 0.1484 0.2165 0.2165 0.7827 0.7827 0.9262 0.9262 1.0238 1.0238 1.1186 1.1186 1.6722 1.6722 1.7228 1.7228 1.8795 1.8795 1.9388 1.9388 7.2593 7.2593 7.2632 7.2632 7.8767 7.8767 7.8867 7.8867 8.3205 8.3214 k = 0.5000 0.2198 0.3160 ( 7928 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2350 -18.2350 -18.2302 -18.2302 -17.8738 -17.8738 -17.8671 -17.8671 -17.8420 -17.8420 -17.8407 -17.8407 -10.6722 -10.6722 -10.6720 -10.6720 -10.6502 -10.6502 -10.6483 -10.6483 -0.3313 -0.3313 -0.3121 -0.3121 0.1396 0.1396 0.1998 0.1998 0.7972 0.7972 0.9274 0.9274 1.0356 1.0356 1.1228 1.1228 1.6818 1.6818 1.7298 1.7298 1.8925 1.8925 1.9481 1.9481 7.2938 7.2938 7.2980 7.2980 7.8526 7.8526 7.8622 7.8622 8.3129 8.3142 k = 0.5000 0.2336 0.3160 ( 7932 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2347 -18.2347 -18.2305 -18.2305 -17.8733 -17.8733 -17.8674 -17.8674 -17.8420 -17.8420 -17.8409 -17.8409 -10.6720 -10.6720 -10.6719 -10.6719 -10.6501 -10.6501 -10.6485 -10.6485 -0.3387 -0.3387 -0.3218 -0.3218 0.1318 0.1318 0.1842 0.1842 0.8113 0.8113 0.9266 0.9266 1.0481 1.0481 1.1259 1.1259 1.6915 1.6915 1.7360 1.7360 1.9049 1.9049 1.9558 1.9558 7.3296 7.3296 7.3342 7.3342 7.8268 7.8268 7.8359 7.8359 8.3065 8.3074 k = 0.5000 0.2473 0.3160 ( 7912 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2344 -18.2344 -18.2307 -18.2307 -17.8728 -17.8728 -17.8676 -17.8676 -17.8420 -17.8420 -17.8410 -17.8410 -10.6719 -10.6719 -10.6717 -10.6717 -10.6501 -10.6501 -10.6486 -10.6486 -0.3451 -0.3451 -0.3304 -0.3304 0.1250 0.1250 0.1697 0.1697 0.8248 0.8248 0.9243 0.9243 1.0606 1.0606 1.1281 1.1281 1.7009 1.7009 1.7412 1.7412 1.9165 1.9165 1.9620 1.9620 7.3664 7.3664 7.3714 7.3714 7.7992 7.7992 7.8079 7.8079 8.2998 8.3005 k = 0.5000 0.2610 0.3160 ( 7924 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2341 -18.2341 -18.2310 -18.2310 -17.8724 -17.8724 -17.8680 -17.8680 -17.8420 -17.8420 -17.8412 -17.8412 -10.6717 -10.6717 -10.6716 -10.6716 -10.6501 -10.6501 -10.6488 -10.6488 -0.3504 -0.3504 -0.3380 -0.3380 0.1195 0.1195 0.1566 0.1566 0.8376 0.8376 0.9208 0.9208 1.0727 1.0727 1.1293 1.1293 1.7100 1.7100 1.7451 1.7451 1.9272 1.9272 1.9666 1.9666 7.4042 7.4042 7.4095 7.4095 7.7696 7.7696 7.7781 7.7781 8.2942 8.2946 k = 0.5000 0.2748 0.3160 ( 7908 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2338 -18.2338 -18.2313 -18.2313 -17.8719 -17.8719 -17.8683 -17.8683 -17.8420 -17.8420 -17.8413 -17.8413 -10.6716 -10.6716 -10.6715 -10.6715 -10.6500 -10.6500 -10.6490 -10.6490 -0.3545 -0.3545 -0.3445 -0.3445 0.1155 0.1155 0.1451 0.1451 0.8495 0.8495 0.9161 0.9161 1.0840 1.0840 1.1294 1.1294 1.7185 1.7185 1.7477 1.7477 1.9369 1.9369 1.9694 1.9694 7.4426 7.4426 7.4483 7.4483 7.7383 7.7383 7.7465 7.7465 8.2896 8.2898 k = 0.5000 0.2885 0.3160 ( 7908 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2335 -18.2335 -18.2316 -18.2316 -17.8714 -17.8714 -17.8687 -17.8687 -17.8420 -17.8420 -17.8414 -17.8414 -10.6715 -10.6715 -10.6714 -10.6714 -10.6499 -10.6499 -10.6492 -10.6492 -0.3574 -0.3574 -0.3498 -0.3498 0.1131 0.1131 0.1352 0.1352 0.8607 0.8607 0.9106 0.9106 1.0943 1.0943 1.1283 1.1283 1.7262 1.7262 1.7488 1.7488 1.9456 1.9456 1.9706 1.9706 7.4814 7.4814 7.4874 7.4874 7.7053 7.7053 7.7131 7.7131 8.2859 8.2859 k = 0.5000 0.3023 0.3160 ( 7896 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2331 -18.2331 -18.2319 -18.2319 -17.8709 -17.8709 -17.8691 -17.8691 -17.8419 -17.8419 -17.8416 -17.8416 -10.6714 -10.6714 -10.6714 -10.6714 -10.6498 -10.6498 -10.6493 -10.6493 -0.3591 -0.3591 -0.3540 -0.3540 0.1123 0.1123 0.1270 0.1270 0.8710 0.8710 0.9043 0.9043 1.1033 1.1033 1.1259 1.1259 1.7331 1.7331 1.7485 1.7485 1.9532 1.9532 1.9702 1.9702 7.5202 7.5202 7.5266 7.5266 7.6706 7.6706 7.6782 7.6782 8.2832 8.2832 k = 0.5000 0.3160 0.3160 ( 7888 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2328 -18.2328 -18.2322 -18.2322 -17.8704 -17.8704 -17.8695 -17.8695 -17.8419 -17.8419 -17.8417 -17.8417 -10.6714 -10.6714 -10.6713 -10.6713 -10.6497 -10.6497 -10.6495 -10.6495 -0.3596 -0.3596 -0.3571 -0.3571 0.1133 0.1133 0.1206 0.1206 0.8805 0.8805 0.8972 0.8972 1.1110 1.1110 1.1223 1.1223 1.7389 1.7389 1.7467 1.7467 1.9595 1.9595 1.9681 1.9681 7.5587 7.5587 7.5654 7.5654 7.6347 7.6347 7.6420 7.6420 8.2815 8.2816 k = 0.5000 0.3297 0.3160 ( 7896 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2326 -18.2326 -18.2324 -18.2324 -17.8701 -17.8701 -17.8699 -17.8699 -17.8419 -17.8419 -17.8417 -17.8417 -10.6714 -10.6714 -10.6713 -10.6713 -10.6496 -10.6496 -10.6496 -10.6496 -0.3590 -0.3590 -0.3590 -0.3590 0.1160 0.1160 0.1160 0.1160 0.8892 0.8892 0.8892 0.8892 1.1173 1.1173 1.1174 1.1174 1.7434 1.7434 1.7435 1.7435 1.9645 1.9645 1.9645 1.9645 7.5945 7.5945 7.5946 7.5946 7.6066 7.6066 7.6067 7.6067 8.2810 8.2810 k = 0.5000 0.3297 0.3160 ( 7896 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2326 -18.2326 -18.2324 -18.2324 -17.8701 -17.8701 -17.8699 -17.8699 -17.8419 -17.8419 -17.8417 -17.8417 -10.6714 -10.6714 -10.6713 -10.6713 -10.6496 -10.6496 -10.6496 -10.6496 -0.3590 -0.3590 -0.3590 -0.3590 0.1160 0.1160 0.1160 0.1160 0.8892 0.8892 0.8892 0.8892 1.1173 1.1173 1.1174 1.1174 1.7434 1.7434 1.7435 1.7435 1.9645 1.9645 1.9645 1.9645 7.5945 7.5945 7.5946 7.5946 7.6066 7.6066 7.6067 7.6067 8.2810 8.2810 k = 0.4865 0.3297 0.3160 ( 7900 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2326 -18.2326 -18.2324 -18.2324 -17.8700 -17.8700 -17.8699 -17.8699 -17.8419 -17.8419 -17.8417 -17.8417 -10.6716 -10.6716 -10.6716 -10.6716 -10.6496 -10.6496 -10.6495 -10.6495 -0.3583 -0.3583 -0.3583 -0.3583 0.1165 0.1165 0.1165 0.1165 0.8894 0.8894 0.8894 0.8894 1.1180 1.1180 1.1180 1.1180 1.7430 1.7430 1.7430 1.7430 1.9639 1.9639 1.9639 1.9639 7.5951 7.5951 7.5952 7.5952 7.6068 7.6068 7.6069 7.6069 8.2736 8.2736 k = 0.4730 0.3297 0.3160 ( 7900 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2325 -18.2325 -18.2323 -18.2323 -17.8699 -17.8699 -17.8697 -17.8697 -17.8419 -17.8419 -17.8418 -17.8418 -10.6725 -10.6725 -10.6725 -10.6725 -10.6494 -10.6494 -10.6494 -10.6494 -0.3564 -0.3564 -0.3564 -0.3564 0.1181 0.1181 0.1181 0.1181 0.8899 0.8899 0.8899 0.8899 1.1199 1.1199 1.1199 1.1199 1.7418 1.7418 1.7418 1.7418 1.9620 1.9620 1.9620 1.9620 7.5969 7.5969 7.5970 7.5970 7.6076 7.6076 7.6077 7.6077 8.2530 8.2531 k = 0.4595 0.3297 0.3160 ( 7908 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2324 -18.2324 -18.2322 -18.2322 -17.8696 -17.8696 -17.8695 -17.8695 -17.8420 -17.8420 -17.8419 -17.8419 -10.6739 -10.6739 -10.6738 -10.6738 -10.6492 -10.6492 -10.6491 -10.6491 -0.3532 -0.3532 -0.3532 -0.3532 0.1207 0.1207 0.1207 0.1207 0.8907 0.8907 0.8907 0.8907 1.1230 1.1230 1.1230 1.1230 1.7397 1.7397 1.7397 1.7397 1.9589 1.9589 1.9589 1.9589 7.5986 7.5986 7.5987 7.5987 7.6100 7.6100 7.6101 7.6101 8.2231 8.2232 k = 0.4459 0.3297 0.3160 ( 7908 PWs) bands (ev): -36.9474 -36.9474 -36.9473 -36.9473 -18.2322 -18.2322 -18.2321 -18.2321 -17.8693 -17.8693 -17.8691 -17.8691 -17.8421 -17.8421 -17.8420 -17.8420 -10.6758 -10.6758 -10.6757 -10.6757 -10.6488 -10.6488 -10.6488 -10.6488 -0.3488 -0.3488 -0.3488 -0.3488 0.1244 0.1244 0.1244 0.1244 0.8919 0.8919 0.8919 0.8919 1.1274 1.1274 1.1274 1.1274 1.7368 1.7368 1.7368 1.7368 1.9546 1.9546 1.9546 1.9546 7.5994 7.5994 7.5995 7.5995 7.6150 7.6150 7.6151 7.6151 8.1877 8.1878 k = 0.4324 0.3297 0.3160 ( 7916 PWs) bands (ev): -36.9474 -36.9474 -36.9473 -36.9473 -18.2320 -18.2320 -18.2319 -18.2319 -17.8688 -17.8688 -17.8687 -17.8687 -17.8422 -17.8422 -17.8421 -17.8421 -10.6782 -10.6782 -10.6782 -10.6782 -10.6484 -10.6484 -10.6484 -10.6484 -0.3433 -0.3433 -0.3433 -0.3433 0.1292 0.1292 0.1292 0.1292 0.8935 0.8935 0.8935 0.8935 1.1330 1.1330 1.1331 1.1331 1.7332 1.7332 1.7332 1.7332 1.9491 1.9491 1.9491 1.9491 7.5993 7.5993 7.5994 7.5994 7.6224 7.6224 7.6225 7.6225 8.1490 8.1491 k = 0.4189 0.3297 0.3160 ( 7916 PWs) bands (ev): -36.9475 -36.9475 -36.9473 -36.9473 -18.2318 -18.2318 -18.2316 -18.2316 -17.8683 -17.8683 -17.8681 -17.8681 -17.8424 -17.8424 -17.8423 -17.8423 -10.6812 -10.6812 -10.6811 -10.6811 -10.6478 -10.6478 -10.6478 -10.6478 -0.3368 -0.3368 -0.3368 -0.3368 0.1351 0.1351 0.1351 0.1351 0.8956 0.8956 0.8956 0.8956 1.1399 1.1399 1.1399 1.1399 1.7287 1.7287 1.7287 1.7287 1.9424 1.9424 1.9424 1.9424 7.5986 7.5986 7.5987 7.5987 7.6317 7.6317 7.6318 7.6318 8.1088 8.1089 k = 0.4054 0.3297 0.3160 ( 7928 PWs) bands (ev): -36.9475 -36.9475 -36.9473 -36.9473 -18.2315 -18.2315 -18.2313 -18.2313 -17.8677 -17.8677 -17.8675 -17.8675 -17.8426 -17.8426 -17.8424 -17.8424 -10.6846 -10.6846 -10.6846 -10.6846 -10.6472 -10.6472 -10.6472 -10.6472 -0.3295 -0.3295 -0.3295 -0.3295 0.1421 0.1421 0.1421 0.1421 0.8983 0.8983 0.8984 0.8984 1.1478 1.1478 1.1478 1.1478 1.7235 1.7235 1.7235 1.7235 1.9347 1.9347 1.9347 1.9347 7.5978 7.5978 7.5979 7.5979 7.6423 7.6423 7.6423 7.6423 8.0682 8.0683 k = 0.3919 0.3297 0.3160 ( 7936 PWs) bands (ev): -36.9475 -36.9475 -36.9474 -36.9474 -18.2312 -18.2312 -18.2310 -18.2310 -17.8670 -17.8670 -17.8668 -17.8668 -17.8428 -17.8428 -17.8426 -17.8426 -10.6885 -10.6885 -10.6885 -10.6885 -10.6465 -10.6465 -10.6465 -10.6465 -0.3216 -0.3216 -0.3216 -0.3216 0.1503 0.1503 0.1503 0.1503 0.9017 0.9017 0.9017 0.9017 1.1568 1.1568 1.1569 1.1569 1.7175 1.7175 1.7175 1.7175 1.9258 1.9258 1.9258 1.9258 7.5969 7.5969 7.5970 7.5970 7.6536 7.6536 7.6537 7.6537 8.0282 8.0282 k = 0.3784 0.3297 0.3160 ( 7932 PWs) bands (ev): -36.9476 -36.9476 -36.9474 -36.9474 -18.2308 -18.2308 -18.2307 -18.2307 -17.8662 -17.8662 -17.8661 -17.8661 -17.8430 -17.8430 -17.8428 -17.8428 -10.6928 -10.6928 -10.6928 -10.6928 -10.6457 -10.6457 -10.6457 -10.6457 -0.3131 -0.3131 -0.3131 -0.3131 0.1596 0.1596 0.1596 0.1596 0.9059 0.9059 0.9059 0.9059 1.1669 1.1669 1.1669 1.1669 1.7109 1.7109 1.7109 1.7109 1.9160 1.9160 1.9160 1.9160 7.5961 7.5961 7.5962 7.5962 7.6649 7.6649 7.6650 7.6650 7.9897 7.9897 k = 0.3649 0.3297 0.3160 ( 7920 PWs) bands (ev): -36.9476 -36.9476 -36.9475 -36.9475 -18.2304 -18.2304 -18.2303 -18.2303 -17.8653 -17.8653 -17.8652 -17.8652 -17.8432 -17.8432 -17.8430 -17.8430 -10.6975 -10.6975 -10.6975 -10.6975 -10.6449 -10.6449 -10.6449 -10.6449 -0.3042 -0.3042 -0.3042 -0.3042 0.1701 0.1701 0.1701 0.1701 0.9110 0.9110 0.9110 0.9110 1.1778 1.1778 1.1778 1.1778 1.7036 1.7036 1.7036 1.7036 1.9053 1.9053 1.9053 1.9053 7.5955 7.5955 7.5956 7.5956 7.6750 7.6750 7.6751 7.6751 7.9541 7.9541 k = 0.3514 0.3297 0.3160 ( 7920 PWs) bands (ev): -36.9477 -36.9477 -36.9475 -36.9475 -18.2300 -18.2300 -18.2299 -18.2299 -17.8644 -17.8644 -17.8643 -17.8643 -17.8434 -17.8434 -17.8432 -17.8432 -10.7026 -10.7026 -10.7026 -10.7026 -10.6440 -10.6440 -10.6439 -10.6439 -0.2953 -0.2953 -0.2953 -0.2953 0.1819 0.1819 0.1819 0.1819 0.9171 0.9171 0.9172 0.9172 1.1895 1.1895 1.1895 1.1895 1.6956 1.6956 1.6956 1.6956 1.8937 1.8937 1.8937 1.8937 7.5951 7.5951 7.5952 7.5952 7.6821 7.6821 7.6821 7.6821 7.9233 7.9233 k = 0.3378 0.3297 0.3160 ( 7928 PWs) bands (ev): -36.9477 -36.9477 -36.9476 -36.9476 -18.2296 -18.2296 -18.2294 -18.2294 -17.8635 -17.8635 -17.8634 -17.8634 -17.8436 -17.8436 -17.8434 -17.8434 -10.7080 -10.7080 -10.7080 -10.7080 -10.6430 -10.6430 -10.6430 -10.6430 -0.2864 -0.2864 -0.2864 -0.2864 0.1948 0.1948 0.1948 0.1948 0.9244 0.9244 0.9244 0.9244 1.2019 1.2019 1.2019 1.2019 1.6871 1.6871 1.6871 1.6871 1.8814 1.8814 1.8814 1.8814 7.5951 7.5951 7.5952 7.5952 7.6833 7.6833 7.6833 7.6833 7.8999 7.8999 k = 0.3243 0.3297 0.3160 ( 7920 PWs) bands (ev): -36.9478 -36.9478 -36.9476 -36.9476 -18.2291 -18.2291 -18.2290 -18.2290 -17.8625 -17.8625 -17.8624 -17.8624 -17.8437 -17.8437 -17.8436 -17.8436 -10.7137 -10.7137 -10.7137 -10.7137 -10.6419 -10.6419 -10.6419 -10.6419 -0.2777 -0.2777 -0.2777 -0.2777 0.2091 0.2091 0.2091 0.2091 0.9330 0.9330 0.9330 0.9330 1.2147 1.2147 1.2147 1.2147 1.6781 1.6781 1.6781 1.6781 1.8685 1.8685 1.8685 1.8685 7.5955 7.5955 7.5955 7.5955 7.6758 7.6758 7.6759 7.6759 7.8869 7.8869 k = 0.3108 0.3297 0.3160 ( 7908 PWs) bands (ev): -36.9478 -36.9478 -36.9477 -36.9477 -18.2286 -18.2286 -18.2285 -18.2285 -17.8615 -17.8615 -17.8614 -17.8614 -17.8438 -17.8438 -17.8437 -17.8437 -10.7196 -10.7196 -10.7196 -10.7196 -10.6409 -10.6409 -10.6408 -10.6408 -0.2695 -0.2695 -0.2695 -0.2695 0.2245 0.2245 0.2245 0.2245 0.9428 0.9428 0.9428 0.9428 1.2278 1.2278 1.2278 1.2278 1.6687 1.6687 1.6687 1.6687 1.8550 1.8550 1.8550 1.8550 7.5963 7.5963 7.5964 7.5964 7.6587 7.6587 7.6587 7.6587 7.8851 7.8851 k = 0.2973 0.3297 0.3160 ( 7908 PWs) bands (ev): -36.9479 -36.9479 -36.9478 -36.9478 -18.2282 -18.2282 -18.2280 -18.2280 -17.8606 -17.8606 -17.8605 -17.8605 -17.8439 -17.8439 -17.8438 -17.8438 -10.7257 -10.7257 -10.7257 -10.7257 -10.6397 -10.6397 -10.6397 -10.6397 -0.2618 -0.2618 -0.2618 -0.2618 0.2412 0.2412 0.2412 0.2412 0.9540 0.9540 0.9540 0.9540 1.2410 1.2410 1.2410 1.2410 1.6590 1.6590 1.6590 1.6590 1.8412 1.8412 1.8412 1.8412 7.5973 7.5973 7.5974 7.5974 7.6338 7.6338 7.6338 7.6338 7.8928 7.8928 k = 0.2838 0.3297 0.3160 ( 7912 PWs) bands (ev): -36.9480 -36.9480 -36.9478 -36.9478 -18.2277 -18.2277 -18.2276 -18.2276 -17.8596 -17.8596 -17.8595 -17.8595 -17.8439 -17.8439 -17.8438 -17.8438 -10.7320 -10.7320 -10.7320 -10.7320 -10.6386 -10.6386 -10.6386 -10.6386 -0.2549 -0.2549 -0.2549 -0.2549 0.2592 0.2592 0.2592 0.2592 0.9666 0.9666 0.9666 0.9666 1.2541 1.2541 1.2541 1.2541 1.6490 1.6490 1.6490 1.6490 1.8271 1.8271 1.8271 1.8271 7.5950 7.5950 7.5951 7.5951 7.6076 7.6076 7.6077 7.6077 7.9070 7.9070 k = 0.2703 0.3297 0.3160 ( 7904 PWs) bands (ev): -36.9480 -36.9480 -36.9479 -36.9479 -18.2272 -18.2272 -18.2271 -18.2271 -17.8588 -17.8588 -17.8587 -17.8587 -17.8438 -17.8438 -17.8437 -17.8437 -10.7384 -10.7384 -10.7384 -10.7384 -10.6374 -10.6374 -10.6374 -10.6374 -0.2488 -0.2488 -0.2488 -0.2488 0.2783 0.2783 0.2783 0.2783 0.9805 0.9805 0.9805 0.9805 1.2668 1.2668 1.2668 1.2668 1.6391 1.6391 1.6391 1.6391 1.8129 1.8129 1.8129 1.8129 7.5670 7.5670 7.5671 7.5671 7.6048 7.6048 7.6048 7.6048 7.9254 7.9255 k = 0.2568 0.3297 0.3160 ( 7916 PWs) bands (ev): -36.9481 -36.9481 -36.9479 -36.9479 -18.2268 -18.2268 -18.2266 -18.2266 -17.8580 -17.8580 -17.8579 -17.8579 -17.8436 -17.8436 -17.8436 -17.8436 -10.7449 -10.7449 -10.7448 -10.7448 -10.6363 -10.6363 -10.6362 -10.6362 -0.2435 -0.2435 -0.2435 -0.2435 0.2987 0.2987 0.2987 0.2987 0.9955 0.9955 0.9955 0.9955 1.2788 1.2788 1.2788 1.2788 1.6293 1.6293 1.6294 1.6294 1.7987 1.7987 1.7987 1.7987 7.5321 7.5321 7.5322 7.5322 7.6079 7.6079 7.6080 7.6080 7.9464 7.9465 k = 0.2432 0.3297 0.3160 ( 7900 PWs) bands (ev): -36.9481 -36.9481 -36.9480 -36.9480 -18.2263 -18.2263 -18.2262 -18.2262 -17.8573 -17.8573 -17.8572 -17.8572 -17.8433 -17.8433 -17.8433 -17.8433 -10.7513 -10.7513 -10.7513 -10.7513 -10.6351 -10.6351 -10.6351 -10.6351 -0.2392 -0.2392 -0.2392 -0.2392 0.3202 0.3202 0.3202 0.3202 1.0114 1.0114 1.0114 1.0114 1.2899 1.2899 1.2899 1.2899 1.6201 1.6201 1.6201 1.6201 1.7847 1.7847 1.7847 1.7847 7.4961 7.4961 7.4962 7.4962 7.6123 7.6123 7.6124 7.6124 7.9689 7.9689 k = 0.2297 0.3297 0.3160 ( 7900 PWs) bands (ev): -36.9482 -36.9482 -36.9481 -36.9481 -18.2258 -18.2258 -18.2257 -18.2257 -17.8567 -17.8567 -17.8567 -17.8567 -17.8428 -17.8428 -17.8428 -17.8428 -10.7578 -10.7578 -10.7577 -10.7577 -10.6339 -10.6339 -10.6339 -10.6339 -0.2358 -0.2358 -0.2358 -0.2358 0.3427 0.3427 0.3427 0.3427 1.0280 1.0280 1.0280 1.0280 1.2996 1.2996 1.2996 1.2996 1.6118 1.6118 1.6118 1.6118 1.7710 1.7710 1.7710 1.7710 7.4597 7.4597 7.4598 7.4598 7.6177 7.6177 7.6178 7.6178 7.9922 7.9922 k = 0.2162 0.3297 0.3160 ( 7888 PWs) bands (ev): -36.9483 -36.9483 -36.9481 -36.9481 -18.2254 -18.2254 -18.2253 -18.2253 -17.8563 -17.8563 -17.8563 -17.8563 -17.8423 -17.8423 -17.8422 -17.8422 -10.7641 -10.7641 -10.7641 -10.7641 -10.6327 -10.6327 -10.6327 -10.6327 -0.2333 -0.2333 -0.2333 -0.2333 0.3664 0.3664 0.3664 0.3664 1.0448 1.0448 1.0448 1.0448 1.3078 1.3078 1.3078 1.3078 1.6047 1.6047 1.6047 1.6047 1.7576 1.7576 1.7576 1.7576 7.4235 7.4235 7.4236 7.4236 7.6239 7.6239 7.6240 7.6240 8.0157 8.0157 k = 0.2027 0.3297 0.3160 ( 7896 PWs) bands (ev): -36.9483 -36.9483 -36.9482 -36.9482 -18.2250 -18.2250 -18.2248 -18.2248 -17.8560 -17.8560 -17.8560 -17.8560 -17.8416 -17.8416 -17.8415 -17.8415 -10.7703 -10.7703 -10.7703 -10.7703 -10.6316 -10.6316 -10.6316 -10.6316 -0.2317 -0.2317 -0.2317 -0.2317 0.3910 0.3910 0.3910 0.3910 1.0613 1.0613 1.0613 1.0613 1.3142 1.3142 1.3142 1.3142 1.5992 1.5992 1.5992 1.5992 1.7448 1.7448 1.7448 1.7448 7.3877 7.3877 7.3877 7.3877 7.6310 7.6310 7.6311 7.6311 8.0389 8.0389 k = 0.1892 0.3297 0.3160 ( 7900 PWs) bands (ev): -36.9484 -36.9484 -36.9482 -36.9482 -18.2246 -18.2246 -18.2244 -18.2244 -17.8559 -17.8559 -17.8558 -17.8558 -17.8408 -17.8408 -17.8407 -17.8407 -10.7764 -10.7764 -10.7764 -10.7764 -10.6305 -10.6305 -10.6305 -10.6305 -0.2309 -0.2309 -0.2309 -0.2309 0.4165 0.4165 0.4165 0.4165 1.0768 1.0768 1.0768 1.0768 1.3188 1.3188 1.3188 1.3188 1.5957 1.5957 1.5957 1.5957 1.7326 1.7326 1.7326 1.7326 7.3525 7.3525 7.3525 7.3525 7.6390 7.6390 7.6391 7.6391 8.0614 8.0614 k = 0.1757 0.3297 0.3160 ( 7904 PWs) bands (ev): -36.9484 -36.9484 -36.9483 -36.9483 -18.2242 -18.2242 -18.2241 -18.2241 -17.8558 -17.8558 -17.8557 -17.8557 -17.8399 -17.8399 -17.8399 -17.8399 -10.7823 -10.7823 -10.7822 -10.7822 -10.6294 -10.6294 -10.6294 -10.6294 -0.2307 -0.2307 -0.2307 -0.2307 0.4429 0.4429 0.4429 0.4429 1.0905 1.0905 1.0905 1.0905 1.3219 1.3219 1.3219 1.3219 1.5945 1.5945 1.5945 1.5945 1.7211 1.7211 1.7211 1.7211 7.3181 7.3181 7.3181 7.3181 7.6477 7.6477 7.6477 7.6477 8.0827 8.0827 k = 0.1622 0.3297 0.3160 ( 7912 PWs) bands (ev): -36.9485 -36.9485 -36.9484 -36.9484 -18.2239 -18.2239 -18.2237 -18.2237 -17.8558 -17.8558 -17.8557 -17.8557 -17.8390 -17.8390 -17.8390 -17.8390 -10.7879 -10.7879 -10.7879 -10.7879 -10.6284 -10.6284 -10.6284 -10.6284 -0.2312 -0.2312 -0.2312 -0.2312 0.4700 0.4700 0.4700 0.4700 1.1014 1.1014 1.1014 1.1014 1.3241 1.3241 1.3242 1.3242 1.5954 1.5954 1.5954 1.5954 1.7103 1.7103 1.7103 1.7103 7.2846 7.2846 7.2847 7.2847 7.6570 7.6570 7.6571 7.6571 8.1023 8.1024 k = 0.1486 0.3297 0.3160 ( 7920 PWs) bands (ev): -36.9486 -36.9486 -36.9484 -36.9484 -18.2235 -18.2235 -18.2234 -18.2234 -17.8558 -17.8558 -17.8558 -17.8558 -17.8381 -17.8381 -17.8381 -17.8381 -10.7932 -10.7932 -10.7932 -10.7932 -10.6274 -10.6274 -10.6274 -10.6274 -0.2321 -0.2321 -0.2321 -0.2321 0.4977 0.4977 0.4977 0.4977 1.1085 1.1085 1.1085 1.1085 1.3263 1.3263 1.3263 1.3263 1.5985 1.5985 1.5985 1.5985 1.7004 1.7004 1.7004 1.7004 7.2524 7.2524 7.2525 7.2525 7.6668 7.6668 7.6669 7.6669 8.1194 8.1194 k = 0.1351 0.3297 0.3160 ( 7912 PWs) bands (ev): -36.9486 -36.9486 -36.9485 -36.9485 -18.2232 -18.2232 -18.2231 -18.2231 -17.8559 -17.8559 -17.8558 -17.8558 -17.8372 -17.8372 -17.8371 -17.8371 -10.7982 -10.7982 -10.7982 -10.7982 -10.6265 -10.6265 -10.6265 -10.6265 -0.2334 -0.2334 -0.2334 -0.2334 0.5258 0.5258 0.5258 0.5258 1.1110 1.1110 1.1110 1.1110 1.3292 1.3292 1.3293 1.3293 1.6032 1.6032 1.6032 1.6032 1.6912 1.6912 1.6913 1.6913 7.2217 7.2217 7.2218 7.2218 7.6770 7.6770 7.6771 7.6771 8.1329 8.1330 k = 0.1216 0.3297 0.3160 ( 7924 PWs) bands (ev): -36.9487 -36.9487 -36.9485 -36.9485 -18.2229 -18.2229 -18.2228 -18.2228 -17.8560 -17.8560 -17.8560 -17.8560 -17.8363 -17.8363 -17.8363 -17.8363 -10.8028 -10.8028 -10.8028 -10.8028 -10.6257 -10.6257 -10.6257 -10.6257 -0.2350 -0.2350 -0.2350 -0.2350 0.5543 0.5543 0.5543 0.5543 1.1084 1.1084 1.1084 1.1084 1.3336 1.3336 1.3336 1.3336 1.6091 1.6091 1.6091 1.6091 1.6831 1.6831 1.6831 1.6831 7.1926 7.1926 7.1927 7.1927 7.6874 7.6874 7.6875 7.6875 8.1410 8.1410 k = 0.1081 0.3297 0.3160 ( 7928 PWs) bands (ev): -36.9487 -36.9487 -36.9486 -36.9486 -18.2227 -18.2227 -18.2226 -18.2226 -17.8562 -17.8562 -17.8561 -17.8561 -17.8355 -17.8355 -17.8354 -17.8354 -10.8070 -10.8070 -10.8070 -10.8070 -10.6249 -10.6249 -10.6249 -10.6249 -0.2367 -0.2367 -0.2367 -0.2367 0.5830 0.5830 0.5830 0.5830 1.1009 1.1009 1.1009 1.1009 1.3394 1.3394 1.3394 1.3394 1.6158 1.6158 1.6158 1.6158 1.6759 1.6759 1.6759 1.6759 7.1654 7.1654 7.1655 7.1655 7.6977 7.6977 7.6977 7.6977 8.1415 8.1415 k = 0.0946 0.3297 0.3160 ( 7936 PWs) bands (ev): -36.9487 -36.9487 -36.9486 -36.9486 -18.2225 -18.2225 -18.2223 -18.2223 -17.8563 -17.8563 -17.8562 -17.8562 -17.8347 -17.8347 -17.8347 -17.8347 -10.8108 -10.8108 -10.8108 -10.8108 -10.6242 -10.6242 -10.6242 -10.6242 -0.2385 -0.2385 -0.2385 -0.2385 0.6114 0.6114 0.6114 0.6114 1.0891 1.0891 1.0891 1.0891 1.3463 1.3463 1.3463 1.3463 1.6225 1.6225 1.6226 1.6226 1.6699 1.6699 1.6699 1.6699 7.1405 7.1405 7.1406 7.1406 7.7076 7.7076 7.7077 7.7077 8.1335 8.1335 k = 0.0811 0.3297 0.3160 ( 7924 PWs) bands (ev): -36.9488 -36.9488 -36.9486 -36.9486 -18.2223 -18.2223 -18.2221 -18.2221 -17.8564 -17.8564 -17.8563 -17.8563 -17.8340 -17.8340 -17.8339 -17.8339 -10.8142 -10.8142 -10.8142 -10.8142 -10.6236 -10.6236 -10.6236 -10.6236 -0.2402 -0.2402 -0.2402 -0.2402 0.6394 0.6394 0.6394 0.6394 1.0741 1.0741 1.0741 1.0741 1.3538 1.3538 1.3538 1.3538 1.6288 1.6288 1.6288 1.6288 1.6652 1.6652 1.6652 1.6652 7.1181 7.1181 7.1182 7.1182 7.7170 7.7170 7.7171 7.7171 8.1192 8.1192 k = 0.0676 0.3297 0.3160 ( 7936 PWs) bands (ev): -36.9488 -36.9488 -36.9487 -36.9487 -18.2221 -18.2221 -18.2220 -18.2220 -17.8565 -17.8565 -17.8565 -17.8565 -17.8334 -17.8334 -17.8333 -17.8333 -10.8171 -10.8171 -10.8170 -10.8170 -10.6231 -10.6231 -10.6231 -10.6231 -0.2419 -0.2419 -0.2418 -0.2418 0.6663 0.6663 0.6664 0.6664 1.0570 1.0570 1.0570 1.0570 1.3611 1.3611 1.3611 1.3611 1.6336 1.6336 1.6336 1.6336 1.6624 1.6624 1.6624 1.6624 7.0985 7.0985 7.0986 7.0986 7.7255 7.7255 7.7256 7.7256 8.1023 8.1023 k = 0.0541 0.3297 0.3160 ( 7932 PWs) bands (ev): -36.9488 -36.9488 -36.9487 -36.9487 -18.2220 -18.2220 -18.2218 -18.2218 -17.8566 -17.8566 -17.8565 -17.8565 -17.8329 -17.8329 -17.8328 -17.8328 -10.8194 -10.8194 -10.8194 -10.8194 -10.6227 -10.6227 -10.6226 -10.6226 -0.2433 -0.2433 -0.2433 -0.2433 0.6916 0.6916 0.6916 0.6916 1.0391 1.0391 1.0392 1.0392 1.3678 1.3678 1.3678 1.3678 1.6365 1.6365 1.6365 1.6365 1.6617 1.6617 1.6617 1.6617 7.0820 7.0820 7.0821 7.0821 7.7329 7.7329 7.7330 7.7330 8.0860 8.0860 k = 0.0405 0.3297 0.3160 ( 7928 PWs) bands (ev): -36.9488 -36.9488 -36.9487 -36.9487 -18.2219 -18.2219 -18.2217 -18.2217 -17.8567 -17.8567 -17.8566 -17.8566 -17.8325 -17.8325 -17.8324 -17.8324 -10.8213 -10.8213 -10.8213 -10.8213 -10.6223 -10.6223 -10.6223 -10.6223 -0.2444 -0.2444 -0.2444 -0.2444 0.7141 0.7141 0.7141 0.7141 1.0219 1.0219 1.0220 1.0220 1.3734 1.3734 1.3734 1.3734 1.6374 1.6374 1.6374 1.6374 1.6628 1.6628 1.6628 1.6628 7.0689 7.0689 7.0690 7.0690 7.7389 7.7390 7.7390 7.7390 8.0722 8.0722 k = 0.0270 0.3297 0.3160 ( 7940 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2218 -18.2218 -18.2217 -18.2217 -17.8568 -17.8568 -17.8567 -17.8567 -17.8322 -17.8322 -17.8321 -17.8321 -10.8226 -10.8226 -10.8226 -10.8226 -10.6221 -10.6221 -10.6220 -10.6220 -0.2453 -0.2453 -0.2453 -0.2453 0.7324 0.7324 0.7324 0.7324 1.0072 1.0072 1.0072 1.0072 1.3776 1.3776 1.3777 1.3777 1.6372 1.6372 1.6372 1.6372 1.6646 1.6646 1.6646 1.6646 7.0593 7.0593 7.0594 7.0594 7.7434 7.7434 7.7435 7.7435 8.0617 8.0618 k = 0.0135 0.3297 0.3160 ( 7952 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2218 -18.2218 -18.2216 -18.2216 -17.8568 -17.8568 -17.8567 -17.8567 -17.8321 -17.8321 -17.8320 -17.8320 -10.8235 -10.8235 -10.8234 -10.8234 -10.6219 -10.6219 -10.6219 -10.6219 -0.2459 -0.2459 -0.2458 -0.2458 0.7446 0.7446 0.7446 0.7446 0.9971 0.9971 0.9971 0.9971 1.3802 1.3802 1.3802 1.3802 1.6368 1.6368 1.6368 1.6368 1.6660 1.6660 1.6660 1.6660 7.0535 7.0535 7.0536 7.0536 7.7461 7.7461 7.7462 7.7462 8.0553 8.0553 k = 0.0000 0.3297 0.3160 ( 7952 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2218 -18.2218 -18.2216 -18.2216 -17.8569 -17.8569 -17.8568 -17.8568 -17.8320 -17.8320 -17.8319 -17.8319 -10.8237 -10.8237 -10.8237 -10.8237 -10.6219 -10.6219 -10.6219 -10.6219 -0.2460 -0.2460 -0.2460 -0.2460 0.7490 0.7490 0.7490 0.7490 0.9934 0.9934 0.9934 0.9934 1.3811 1.3811 1.3811 1.3811 1.6366 1.6366 1.6366 1.6366 1.6665 1.6665 1.6665 1.6665 7.0516 7.0516 7.0516 7.0516 7.7470 7.7470 7.7471 7.7471 8.0531 8.0532 k = 0.0000 0.3297 0.3160 ( 7952 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2218 -18.2218 -18.2216 -18.2216 -17.8569 -17.8569 -17.8568 -17.8568 -17.8320 -17.8320 -17.8319 -17.8319 -10.8237 -10.8237 -10.8237 -10.8237 -10.6219 -10.6219 -10.6219 -10.6219 -0.2460 -0.2460 -0.2460 -0.2460 0.7490 0.7490 0.7490 0.7490 0.9934 0.9934 0.9934 0.9934 1.3811 1.3811 1.3811 1.3811 1.6366 1.6366 1.6366 1.6366 1.6665 1.6665 1.6665 1.6665 7.0516 7.0516 7.0516 7.0516 7.7470 7.7470 7.7471 7.7471 8.0531 8.0532 k = 0.0000 0.3160 0.3160 ( 7944 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2217 -18.2217 -18.2216 -18.2216 -17.8568 -17.8568 -17.8567 -17.8567 -17.8320 -17.8320 -17.8319 -17.8319 -10.8238 -10.8238 -10.8238 -10.8238 -10.6218 -10.6218 -10.6217 -10.6217 -0.2456 -0.2456 -0.2456 -0.2456 0.7489 0.7489 0.7489 0.7489 0.9933 0.9933 0.9934 0.9934 1.3805 1.3805 1.3805 1.3805 1.6237 1.6237 1.6237 1.6237 1.6796 1.6796 1.6796 1.6796 7.0524 7.0524 7.0525 7.0525 7.7479 7.7479 7.7479 7.7479 8.0532 8.0532 k = 0.0000 0.3023 0.3160 ( 7934 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2217 -18.2217 -18.2216 -18.2216 -17.8568 -17.8568 -17.8567 -17.8567 -17.8321 -17.8321 -17.8320 -17.8320 -10.8242 -10.8242 -10.8241 -10.8241 -10.6214 -10.6214 -10.6214 -10.6214 -0.2443 -0.2443 -0.2443 -0.2443 0.7486 0.7486 0.7487 0.7487 0.9932 0.9932 0.9932 0.9932 1.3787 1.3787 1.3787 1.3787 1.6025 1.6025 1.6025 1.6025 1.7011 1.7011 1.7011 1.7011 7.0549 7.0549 7.0550 7.0550 7.7504 7.7504 7.7505 7.7505 8.0534 8.0534 k = 0.0000 0.2885 0.3160 ( 7946 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2217 -18.2217 -18.2216 -18.2216 -17.8567 -17.8567 -17.8566 -17.8566 -17.8321 -17.8321 -17.8320 -17.8320 -10.8247 -10.8247 -10.8247 -10.8247 -10.6208 -10.6208 -10.6208 -10.6208 -0.2422 -0.2422 -0.2422 -0.2422 0.7483 0.7483 0.7483 0.7483 0.9929 0.9929 0.9929 0.9929 1.3754 1.3754 1.3754 1.3754 1.5809 1.5809 1.5809 1.5809 1.7236 1.7236 1.7236 1.7236 7.0590 7.0590 7.0590 7.0590 7.7546 7.7546 7.7546 7.7547 8.0537 8.0537 k = 0.0000 0.2748 0.3160 ( 7946 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2217 -18.2217 -18.2216 -18.2216 -17.8567 -17.8567 -17.8566 -17.8566 -17.8322 -17.8322 -17.8321 -17.8321 -10.8254 -10.8254 -10.8254 -10.8254 -10.6201 -10.6201 -10.6200 -10.6200 -0.2393 -0.2393 -0.2393 -0.2393 0.7477 0.7477 0.7477 0.7477 0.9925 0.9925 0.9925 0.9925 1.3705 1.3705 1.3705 1.3705 1.5601 1.5601 1.5601 1.5601 1.7460 1.7460 1.7460 1.7460 7.0644 7.0644 7.0645 7.0645 7.7604 7.7604 7.7604 7.7604 8.0540 8.0540 k = 0.0000 0.2610 0.3160 ( 7932 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2217 -18.2217 -18.2216 -18.2216 -17.8566 -17.8566 -17.8565 -17.8565 -17.8323 -17.8323 -17.8322 -17.8322 -10.8263 -10.8263 -10.8263 -10.8263 -10.6191 -10.6191 -10.6191 -10.6191 -0.2356 -0.2356 -0.2356 -0.2356 0.7471 0.7471 0.7471 0.7471 0.9919 0.9919 0.9919 0.9919 1.3635 1.3635 1.3635 1.3635 1.5410 1.5410 1.5410 1.5410 1.7679 1.7679 1.7679 1.7679 7.0711 7.0711 7.0712 7.0712 7.7678 7.7678 7.7678 7.7678 8.0542 8.0542 k = 0.0000 0.2473 0.3160 ( 7914 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2217 -18.2217 -18.2215 -18.2215 -17.8564 -17.8564 -17.8563 -17.8563 -17.8324 -17.8324 -17.8323 -17.8323 -10.8274 -10.8274 -10.8274 -10.8274 -10.6179 -10.6179 -10.6179 -10.6179 -0.2312 -0.2312 -0.2312 -0.2312 0.7463 0.7463 0.7463 0.7463 0.9912 0.9912 0.9913 0.9913 1.3542 1.3542 1.3542 1.3542 1.5240 1.5240 1.5240 1.5240 1.7893 1.7893 1.7893 1.7893 7.0788 7.0788 7.0789 7.0789 7.7767 7.7767 7.7767 7.7767 8.0541 8.0541 k = 0.0000 0.2336 0.3160 ( 7900 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2216 -18.2216 -18.2215 -18.2215 -17.8563 -17.8563 -17.8562 -17.8562 -17.8326 -17.8326 -17.8325 -17.8325 -10.8286 -10.8286 -10.8286 -10.8286 -10.6167 -10.6167 -10.6166 -10.6166 -0.2261 -0.2261 -0.2260 -0.2260 0.7454 0.7454 0.7454 0.7454 0.9904 0.9904 0.9904 0.9904 1.3423 1.3423 1.3423 1.3423 1.5096 1.5096 1.5097 1.5097 1.8099 1.8099 1.8099 1.8099 7.0872 7.0872 7.0873 7.0873 7.7870 7.7870 7.7871 7.7871 8.0535 8.0535 k = 0.0000 0.2198 0.3160 ( 7896 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2216 -18.2216 -18.2215 -18.2215 -17.8561 -17.8561 -17.8560 -17.8560 -17.8327 -17.8327 -17.8326 -17.8326 -10.8299 -10.8299 -10.8299 -10.8299 -10.6153 -10.6153 -10.6152 -10.6152 -0.2203 -0.2203 -0.2203 -0.2203 0.7444 0.7444 0.7444 0.7444 0.9894 0.9894 0.9895 0.9895 1.3279 1.3279 1.3279 1.3279 1.4980 1.4980 1.4981 1.4981 1.8297 1.8297 1.8297 1.8297 7.0960 7.0960 7.0961 7.0961 7.7987 7.7987 7.7988 7.7988 8.0519 8.0519 k = 0.0000 0.2061 0.3160 ( 7890 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2216 -18.2216 -18.2214 -18.2214 -17.8560 -17.8560 -17.8559 -17.8559 -17.8329 -17.8329 -17.8328 -17.8328 -10.8313 -10.8313 -10.8313 -10.8313 -10.6138 -10.6138 -10.6137 -10.6137 -0.2140 -0.2140 -0.2140 -0.2140 0.7433 0.7433 0.7433 0.7433 0.9883 0.9883 0.9883 0.9883 1.3113 1.3113 1.3113 1.3113 1.4891 1.4891 1.4891 1.4891 1.8486 1.8486 1.8486 1.8486 7.1050 7.1050 7.1051 7.1051 7.8117 7.8117 7.8118 7.8118 8.0492 8.0492 k = 0.0000 0.1923 0.3160 ( 7890 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2215 -18.2215 -18.2214 -18.2214 -17.8558 -17.8558 -17.8557 -17.8557 -17.8331 -17.8331 -17.8330 -17.8330 -10.8328 -10.8328 -10.8328 -10.8328 -10.6122 -10.6122 -10.6122 -10.6122 -0.2073 -0.2073 -0.2072 -0.2072 0.7422 0.7422 0.7422 0.7422 0.9870 0.9870 0.9870 0.9870 1.2930 1.2930 1.2930 1.2930 1.4823 1.4823 1.4823 1.4823 1.8665 1.8665 1.8665 1.8665 7.1139 7.1139 7.1140 7.1140 7.8258 7.8258 7.8259 7.8259 8.0451 8.0451 k = 0.0000 0.1786 0.3160 ( 7890 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2215 -18.2215 -18.2214 -18.2214 -17.8556 -17.8556 -17.8555 -17.8555 -17.8333 -17.8333 -17.8332 -17.8332 -10.8343 -10.8343 -10.8343 -10.8343 -10.6106 -10.6106 -10.6106 -10.6106 -0.2001 -0.2001 -0.2001 -0.2001 0.7410 0.7410 0.7410 0.7410 0.9855 0.9855 0.9855 0.9855 1.2737 1.2737 1.2737 1.2737 1.4774 1.4774 1.4774 1.4774 1.8835 1.8835 1.8835 1.8835 7.1224 7.1224 7.1225 7.1225 7.8409 7.8409 7.8409 7.8409 8.0397 8.0397 k = 0.0000 0.1649 0.3160 ( 7888 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2215 -18.2215 -18.2214 -18.2214 -17.8554 -17.8554 -17.8553 -17.8553 -17.8335 -17.8335 -17.8334 -17.8334 -10.8358 -10.8358 -10.8358 -10.8358 -10.6090 -10.6090 -10.6090 -10.6090 -0.1927 -0.1927 -0.1927 -0.1927 0.7397 0.7397 0.7398 0.7398 0.9837 0.9837 0.9837 0.9837 1.2540 1.2540 1.2541 1.2541 1.4739 1.4739 1.4740 1.4740 1.8994 1.8994 1.8994 1.8994 7.1304 7.1304 7.1305 7.1305 7.8567 7.8567 7.8568 7.8568 8.0330 8.0330 k = 0.0000 0.1511 0.3160 ( 7896 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2215 -18.2215 -18.2213 -18.2213 -17.8552 -17.8552 -17.8551 -17.8551 -17.8338 -17.8338 -17.8336 -17.8336 -10.8372 -10.8372 -10.8372 -10.8372 -10.6074 -10.6074 -10.6074 -10.6074 -0.1852 -0.1852 -0.1852 -0.1852 0.7385 0.7385 0.7385 0.7385 0.9818 0.9818 0.9818 0.9818 1.2345 1.2345 1.2345 1.2345 1.4715 1.4715 1.4715 1.4715 1.9142 1.9142 1.9142 1.9142 7.1376 7.1376 7.1377 7.1377 7.8732 7.8732 7.8733 7.8733 8.0253 8.0254 k = 0.0000 0.1374 0.3160 ( 7892 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2214 -18.2214 -18.2213 -18.2213 -17.8551 -17.8551 -17.8549 -17.8549 -17.8340 -17.8340 -17.8338 -17.8338 -10.8387 -10.8387 -10.8387 -10.8387 -10.6059 -10.6059 -10.6059 -10.6059 -0.1776 -0.1776 -0.1776 -0.1776 0.7373 0.7373 0.7373 0.7373 0.9796 0.9796 0.9796 0.9796 1.2156 1.2156 1.2156 1.2156 1.4698 1.4698 1.4699 1.4699 1.9279 1.9279 1.9279 1.9279 7.1441 7.1441 7.1442 7.1442 7.8900 7.8900 7.8901 7.8901 8.0171 8.0171 k = 0.0000 0.1237 0.3160 ( 7886 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2214 -18.2214 -18.2213 -18.2213 -17.8549 -17.8549 -17.8547 -17.8547 -17.8342 -17.8342 -17.8340 -17.8340 -10.8400 -10.8400 -10.8400 -10.8400 -10.6044 -10.6044 -10.6044 -10.6044 -0.1701 -0.1701 -0.1701 -0.1701 0.7361 0.7361 0.7361 0.7361 0.9772 0.9772 0.9772 0.9772 1.1977 1.1977 1.1977 1.1977 1.4688 1.4688 1.4688 1.4688 1.9404 1.9404 1.9404 1.9404 7.1497 7.1497 7.1497 7.1497 7.9069 7.9069 7.9070 7.9070 8.0086 8.0087 k = 0.0000 0.1099 0.3160 ( 7890 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2214 -18.2214 -18.2213 -18.2213 -17.8547 -17.8547 -17.8546 -17.8546 -17.8344 -17.8344 -17.8343 -17.8343 -10.8413 -10.8413 -10.8413 -10.8413 -10.6031 -10.6031 -10.6031 -10.6031 -0.1629 -0.1629 -0.1629 -0.1629 0.7350 0.7350 0.7350 0.7350 0.9746 0.9746 0.9746 0.9746 1.1812 1.1812 1.1812 1.1812 1.4681 1.4681 1.4681 1.4681 1.9517 1.9517 1.9517 1.9517 7.1544 7.1544 7.1545 7.1545 7.9235 7.9235 7.9236 7.9236 8.0003 8.0003 k = 0.0000 0.0962 0.3160 ( 7886 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2214 -18.2214 -18.2212 -18.2212 -17.8545 -17.8545 -17.8544 -17.8544 -17.8346 -17.8346 -17.8344 -17.8344 -10.8425 -10.8425 -10.8425 -10.8425 -10.6018 -10.6018 -10.6018 -10.6018 -0.1561 -0.1561 -0.1560 -0.1560 0.7339 0.7339 0.7339 0.7339 0.9718 0.9718 0.9718 0.9718 1.1663 1.1663 1.1663 1.1663 1.4677 1.4677 1.4677 1.4677 1.9617 1.9617 1.9617 1.9617 7.1583 7.1583 7.1584 7.1584 7.9395 7.9396 7.9396 7.9397 7.9923 7.9923 k = 0.0000 0.0824 0.3160 ( 7898 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2214 -18.2214 -18.2212 -18.2212 -17.8544 -17.8544 -17.8542 -17.8542 -17.8348 -17.8348 -17.8346 -17.8346 -10.8435 -10.8435 -10.8435 -10.8435 -10.6007 -10.6007 -10.6007 -10.6007 -0.1498 -0.1498 -0.1497 -0.1497 0.7329 0.7329 0.7329 0.7329 0.9690 0.9690 0.9690 0.9690 1.1532 1.1532 1.1533 1.1533 1.4675 1.4675 1.4675 1.4675 1.9705 1.9705 1.9705 1.9705 7.1614 7.1614 7.1615 7.1615 7.9544 7.9544 7.9545 7.9546 7.9851 7.9851 k = 0.0000 0.0687 0.3160 ( 7906 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2214 -18.2214 -18.2212 -18.2212 -17.8542 -17.8542 -17.8541 -17.8541 -17.8349 -17.8349 -17.8348 -17.8348 -10.8444 -10.8444 -10.8444 -10.8444 -10.5997 -10.5997 -10.5997 -10.5997 -0.1442 -0.1442 -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 1.4674 1.4674 1.4674 1.4674 1.9779 1.9779 1.9780 1.9780 7.1639 7.1639 7.1639 7.1639 7.9672 7.9672 7.9673 7.9676 7.9796 7.9796 k = 0.0000 0.0550 0.3160 ( 7918 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2214 -18.2214 -18.2212 -18.2212 -17.8541 -17.8541 -17.8540 -17.8540 -17.8351 -17.8351 -17.8350 -17.8350 -10.8452 -10.8452 -10.8452 -10.8452 -10.5989 -10.5989 -10.5989 -10.5989 -0.1394 -0.1394 -0.1393 -0.1393 0.7313 0.7313 0.7313 0.7313 0.9635 0.9635 0.9636 0.9636 1.1331 1.1331 1.1331 1.1331 1.4674 1.4674 1.4674 1.4674 1.9841 1.9841 1.9841 1.9841 7.1657 7.1657 7.1658 7.1658 7.9705 7.9705 7.9705 7.9706 7.9828 7.9828 k = 0.0000 0.0412 0.3160 ( 7912 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2213 -18.2213 -18.2212 -18.2212 -17.8540 -17.8540 -17.8539 -17.8539 -17.8352 -17.8352 -17.8351 -17.8351 -10.8458 -10.8458 -10.8458 -10.8458 -10.5982 -10.5982 -10.5982 -10.5982 -0.1355 -0.1355 -0.1354 -0.1354 0.7307 0.7307 0.7307 0.7307 0.9613 0.9613 0.9613 0.9613 1.1261 1.1261 1.1261 1.1261 1.4675 1.4675 1.4675 1.4675 1.9889 1.9889 1.9889 1.9889 7.1670 7.1670 7.1671 7.1671 7.9670 7.9670 7.9670 7.9670 7.9917 7.9918 k = 0.0000 0.0275 0.3160 ( 7912 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2213 -18.2213 -18.2212 -18.2212 -17.8539 -17.8539 -17.8538 -17.8538 -17.8353 -17.8353 -17.8351 -17.8351 -10.8462 -10.8462 -10.8462 -10.8462 -10.5978 -10.5978 -10.5978 -10.5978 -0.1326 -0.1326 -0.1326 -0.1326 0.7303 0.7303 0.7303 0.7303 0.9595 0.9595 0.9595 0.9595 1.1211 1.1211 1.1211 1.1211 1.4675 1.4675 1.4675 1.4675 1.9923 1.9923 1.9923 1.9923 7.1679 7.1679 7.1680 7.1680 7.9639 7.9639 7.9640 7.9640 7.9989 7.9990 k = 0.0000 0.0137 0.3160 ( 7894 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2213 -18.2213 -18.2212 -18.2212 -17.8539 -17.8539 -17.8537 -17.8537 -17.8353 -17.8353 -17.8352 -17.8352 -10.8465 -10.8465 -10.8465 -10.8465 -10.5975 -10.5975 -10.5975 -10.5975 -0.1309 -0.1309 -0.1309 -0.1309 0.7300 0.7300 0.7300 0.7300 0.9584 0.9584 0.9584 0.9584 1.1182 1.1182 1.1182 1.1182 1.4676 1.4676 1.4676 1.4676 1.9944 1.9944 1.9944 1.9944 7.1685 7.1685 7.1686 7.1686 7.9620 7.9620 7.9621 7.9621 8.0034 8.0035 k = 0.0000 0.0000 0.3160 ( 7898 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2213 -18.2213 -18.2212 -18.2212 -17.8538 -17.8538 -17.8537 -17.8537 -17.8353 -17.8353 -17.8352 -17.8352 -10.8466 -10.8466 -10.8466 -10.8466 -10.5974 -10.5974 -10.5974 -10.5974 -0.1303 -0.1303 -0.1303 -0.1303 0.7299 0.7299 0.7299 0.7299 0.9580 0.9580 0.9580 0.9580 1.1172 1.1172 1.1172 1.1172 1.4676 1.4676 1.4676 1.4676 1.9951 1.9951 1.9951 1.9951 7.1687 7.1687 7.1687 7.1687 7.9614 7.9614 7.9615 7.9615 8.0049 8.0050 k = 0.0000 0.3297-0.0000 ( 7936 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2214 -18.2214 -18.2212 -18.2212 -17.8539 -17.8539 -17.8538 -17.8538 -17.8354 -17.8354 -17.8352 -17.8352 -10.8345 -10.8345 -10.8345 -10.8345 -10.6102 -10.6102 -10.6102 -10.6102 -0.2323 -0.2323 -0.2323 -0.2323 0.7581 0.7581 0.7581 0.7581 0.9570 0.9570 0.9570 0.9570 1.1584 1.1584 1.1584 1.1584 1.5077 1.5077 1.5077 1.5077 2.0769 2.0769 2.0769 2.0769 7.2048 7.2048 7.2049 7.2049 7.9568 7.9568 7.9569 7.9570 7.9785 7.9786 k = 0.0000 0.3297 0.0137 ( 7936 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2214 -18.2214 -18.2212 -18.2212 -17.8539 -17.8539 -17.8538 -17.8538 -17.8353 -17.8353 -17.8352 -17.8352 -10.8345 -10.8345 -10.8345 -10.8345 -10.6102 -10.6102 -10.6102 -10.6102 -0.2323 -0.2323 -0.2323 -0.2323 0.7576 0.7576 0.7576 0.7576 0.9573 0.9573 0.9574 0.9574 1.1597 1.1597 1.1598 1.1598 1.5077 1.5077 1.5077 1.5077 2.0756 2.0756 2.0756 2.0756 7.2045 7.2045 7.2046 7.2046 7.9555 7.9556 7.9556 7.9557 7.9792 7.9792 k = 0.0000 0.3297 0.0275 ( 7932 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2214 -18.2214 -18.2212 -18.2212 -17.8540 -17.8540 -17.8538 -17.8538 -17.8353 -17.8353 -17.8352 -17.8352 -10.8344 -10.8344 -10.8343 -10.8343 -10.6104 -10.6104 -10.6104 -10.6104 -0.2324 -0.2324 -0.2324 -0.2324 0.7560 0.7560 0.7560 0.7560 0.9584 0.9584 0.9584 0.9584 1.1637 1.1637 1.1637 1.1637 1.5076 1.5076 1.5076 1.5076 2.0716 2.0716 2.0716 2.0716 7.2037 7.2037 7.2038 7.2038 7.9517 7.9517 7.9518 7.9518 7.9812 7.9812 k = 0.0000 0.3297 0.0412 ( 7926 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2214 -18.2214 -18.2212 -18.2212 -17.8540 -17.8540 -17.8539 -17.8539 -17.8352 -17.8352 -17.8351 -17.8351 -10.8341 -10.8341 -10.8341 -10.8341 -10.6107 -10.6107 -10.6106 -10.6106 -0.2326 -0.2326 -0.2326 -0.2326 0.7535 0.7535 0.7535 0.7535 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 7.2022 7.2022 7.2022 7.2022 7.9454 7.9454 7.9455 7.9455 7.9846 7.9846 k = 0.0000 0.3297 0.0550 ( 7922 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2214 -18.2214 -18.2212 -18.2212 -17.8541 -17.8541 -17.8540 -17.8540 -17.8351 -17.8351 -17.8349 -17.8349 -10.8338 -10.8338 -10.8338 -10.8338 -10.6110 -10.6110 -10.6110 -10.6110 -0.2328 -0.2328 -0.2328 -0.2328 0.7505 0.7505 0.7505 0.7505 0.9620 0.9620 0.9621 0.9621 1.1789 1.1789 1.1789 1.1789 1.5073 1.5073 1.5073 1.5073 2.0560 2.0560 2.0560 2.0560 7.1999 7.1999 7.2000 7.2000 7.9369 7.9369 7.9370 7.9370 7.9894 7.9894 k = 0.0000 0.3297 0.0687 ( 7922 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2214 -18.2214 -18.2212 -18.2212 -17.8543 -17.8543 -17.8541 -17.8541 -17.8349 -17.8349 -17.8348 -17.8348 -10.8334 -10.8334 -10.8334 -10.8334 -10.6114 -10.6114 -10.6114 -10.6114 -0.2332 -0.2332 -0.2331 -0.2331 0.7471 0.7471 0.7471 0.7471 0.9645 0.9645 0.9645 0.9645 1.1897 1.1897 1.1897 1.1897 1.5072 1.5072 1.5073 1.5073 2.0446 2.0446 2.0446 2.0446 7.1967 7.1967 7.1968 7.1968 7.9264 7.9264 7.9266 7.9266 7.9956 7.9956 k = 0.0000 0.3297 0.0824 ( 7928 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2214 -18.2214 -18.2213 -18.2213 -17.8544 -17.8544 -17.8543 -17.8543 -17.8348 -17.8348 -17.8346 -17.8346 -10.8329 -10.8329 -10.8329 -10.8329 -10.6120 -10.6120 -10.6120 -10.6120 -0.2336 -0.2336 -0.2335 -0.2335 0.7436 0.7436 0.7436 0.7436 0.9671 0.9671 0.9671 0.9671 1.2023 1.2023 1.2023 1.2023 1.5073 1.5073 1.5073 1.5073 2.0309 2.0309 2.0309 2.0309 7.1926 7.1926 7.1926 7.1926 7.9145 7.9145 7.9146 7.9146 8.0033 8.0033 k = 0.0000 0.3297 0.0962 ( 7934 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2214 -18.2214 -18.2213 -18.2213 -17.8546 -17.8546 -17.8545 -17.8545 -17.8346 -17.8346 -17.8344 -17.8344 -10.8323 -10.8323 -10.8323 -10.8323 -10.6126 -10.6126 -10.6126 -10.6126 -0.2341 -0.2341 -0.2341 -0.2341 0.7403 0.7403 0.7403 0.7403 0.9698 0.9698 0.9698 0.9698 1.2162 1.2162 1.2162 1.2162 1.5075 1.5075 1.5076 1.5076 2.0151 2.0151 2.0151 2.0151 7.1873 7.1873 7.1873 7.1873 7.9014 7.9014 7.9015 7.9015 8.0122 8.0122 k = 0.0000 0.3297 0.1099 ( 7928 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2214 -18.2214 -18.2213 -18.2213 -17.8548 -17.8548 -17.8546 -17.8546 -17.8344 -17.8344 -17.8342 -17.8342 -10.8317 -10.8317 -10.8317 -10.8317 -10.6132 -10.6132 -10.6132 -10.6132 -0.2347 -0.2347 -0.2347 -0.2347 0.7374 0.7374 0.7374 0.7374 0.9725 0.9725 0.9726 0.9726 1.2311 1.2311 1.2311 1.2311 1.5081 1.5081 1.5082 1.5082 1.9974 1.9974 1.9974 1.9974 7.1808 7.1808 7.1808 7.1808 7.8875 7.8875 7.8876 7.8876 8.0223 8.0223 k = 0.0000 0.3297 0.1236 ( 7932 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2215 -18.2215 -18.2213 -18.2213 -17.8550 -17.8550 -17.8548 -17.8548 -17.8342 -17.8342 -17.8340 -17.8340 -10.8311 -10.8311 -10.8311 -10.8311 -10.6139 -10.6139 -10.6139 -10.6139 -0.2354 -0.2354 -0.2354 -0.2354 0.7351 0.7351 0.7351 0.7351 0.9752 0.9752 0.9753 0.9753 1.2468 1.2468 1.2468 1.2468 1.5092 1.5092 1.5092 1.5092 1.9780 1.9780 1.9780 1.9780 7.1730 7.1730 7.1731 7.1731 7.8732 7.8732 7.8733 7.8733 8.0332 8.0333 k = 0.0000 0.3297 0.1374 ( 7948 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2215 -18.2215 -18.2214 -18.2214 -17.8552 -17.8552 -17.8551 -17.8551 -17.8339 -17.8339 -17.8338 -17.8338 -10.8304 -10.8304 -10.8304 -10.8304 -10.6147 -10.6147 -10.6147 -10.6147 -0.2362 -0.2362 -0.2362 -0.2362 0.7335 0.7335 0.7335 0.7335 0.9779 0.9779 0.9779 0.9779 1.2627 1.2627 1.2627 1.2627 1.5108 1.5108 1.5109 1.5109 1.9571 1.9571 1.9571 1.9571 7.1641 7.1641 7.1642 7.1642 7.8587 7.8587 7.8588 7.8588 8.0446 8.0446 k = 0.0000 0.3297 0.1511 ( 7944 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2215 -18.2215 -18.2214 -18.2214 -17.8554 -17.8554 -17.8553 -17.8553 -17.8337 -17.8337 -17.8336 -17.8336 -10.8296 -10.8296 -10.8296 -10.8296 -10.6155 -10.6155 -10.6155 -10.6155 -0.2371 -0.2371 -0.2370 -0.2370 0.7325 0.7325 0.7325 0.7325 0.9804 0.9804 0.9804 0.9804 1.2785 1.2785 1.2786 1.2786 1.5133 1.5133 1.5133 1.5133 1.9350 1.9350 1.9350 1.9350 7.1542 7.1542 7.1542 7.1542 7.8444 7.8444 7.8445 7.8445 8.0557 8.0557 k = 0.0000 0.3297 0.1649 ( 7928 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2215 -18.2215 -18.2214 -18.2214 -17.8556 -17.8556 -17.8554 -17.8554 -17.8335 -17.8335 -17.8333 -17.8333 -10.8289 -10.8289 -10.8289 -10.8289 -10.6163 -10.6163 -10.6163 -10.6163 -0.2380 -0.2380 -0.2380 -0.2380 0.7323 0.7323 0.7323 0.7323 0.9827 0.9827 0.9827 0.9827 1.2940 1.2940 1.2940 1.2940 1.5167 1.5167 1.5167 1.5167 1.9119 1.9119 1.9119 1.9119 7.1433 7.1433 7.1434 7.1434 7.8306 7.8306 7.8306 7.8306 8.0658 8.0659 k = 0.0000 0.3297 0.1786 ( 7934 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2216 -18.2216 -18.2214 -18.2214 -17.8558 -17.8558 -17.8556 -17.8556 -17.8332 -17.8332 -17.8331 -17.8331 -10.8282 -10.8282 -10.8282 -10.8282 -10.6171 -10.6171 -10.6171 -10.6171 -0.2390 -0.2390 -0.2390 -0.2390 0.7328 0.7328 0.7328 0.7328 0.9848 0.9848 0.9848 0.9848 1.3088 1.3088 1.3088 1.3088 1.5212 1.5212 1.5212 1.5212 1.8879 1.8879 1.8880 1.8880 7.1318 7.1318 7.1319 7.1319 7.8173 7.8173 7.8174 7.8174 8.0740 8.0741 k = 0.0000 0.3297 0.1923 ( 7926 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2216 -18.2216 -18.2215 -18.2215 -17.8559 -17.8559 -17.8558 -17.8558 -17.8330 -17.8330 -17.8329 -17.8329 -10.8275 -10.8275 -10.8274 -10.8274 -10.6179 -10.6179 -10.6178 -10.6178 -0.2400 -0.2400 -0.2400 -0.2400 0.7340 0.7340 0.7340 0.7340 0.9867 0.9867 0.9867 0.9867 1.3226 1.3226 1.3226 1.3226 1.5271 1.5271 1.5271 1.5271 1.8635 1.8635 1.8635 1.8635 7.1200 7.1200 7.1201 7.1201 7.8048 7.8048 7.8049 7.8049 8.0794 8.0794 k = 0.0000 0.3297 0.2061 ( 7926 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2216 -18.2216 -18.2215 -18.2215 -17.8561 -17.8561 -17.8560 -17.8560 -17.8328 -17.8328 -17.8327 -17.8327 -10.8268 -10.8268 -10.8267 -10.8267 -10.6186 -10.6186 -10.6186 -10.6186 -0.2411 -0.2411 -0.2410 -0.2410 0.7356 0.7356 0.7356 0.7356 0.9883 0.9883 0.9884 0.9884 1.3351 1.3351 1.3351 1.3351 1.5345 1.5345 1.5345 1.5345 1.8387 1.8387 1.8387 1.8387 7.1082 7.1082 7.1082 7.1082 7.7933 7.7933 7.7934 7.7934 8.0813 8.0813 k = 0.0000 0.3297 0.2198 ( 7924 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2216 -18.2216 -18.2215 -18.2215 -17.8563 -17.8563 -17.8562 -17.8562 -17.8326 -17.8326 -17.8325 -17.8325 -10.8261 -10.8261 -10.8261 -10.8261 -10.6193 -10.6193 -10.6193 -10.6193 -0.2421 -0.2421 -0.2420 -0.2420 0.7376 0.7376 0.7376 0.7376 0.9897 0.9897 0.9898 0.9898 1.3462 1.3462 1.3462 1.3462 1.5434 1.5434 1.5434 1.5434 1.8139 1.8139 1.8139 1.8139 7.0967 7.0967 7.0968 7.0968 7.7829 7.7829 7.7829 7.7829 8.0798 8.0798 k = 0.0000 0.3297 0.2335 ( 7920 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2217 -18.2217 -18.2215 -18.2215 -17.8564 -17.8564 -17.8563 -17.8563 -17.8325 -17.8325 -17.8324 -17.8324 -10.8255 -10.8255 -10.8255 -10.8255 -10.6199 -10.6199 -10.6199 -10.6199 -0.2430 -0.2430 -0.2430 -0.2430 0.7399 0.7399 0.7399 0.7399 0.9908 0.9908 0.9909 0.9909 1.3557 1.3557 1.3557 1.3557 1.5540 1.5540 1.5540 1.5540 1.7892 1.7892 1.7892 1.7892 7.0859 7.0859 7.0860 7.0860 7.7736 7.7736 7.7737 7.7737 8.0759 8.0759 k = 0.0000 0.3297 0.2473 ( 7928 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2217 -18.2217 -18.2215 -18.2215 -17.8565 -17.8565 -17.8564 -17.8564 -17.8323 -17.8323 -17.8322 -17.8322 -10.8250 -10.8250 -10.8250 -10.8250 -10.6205 -10.6205 -10.6205 -10.6205 -0.2439 -0.2439 -0.2438 -0.2438 0.7422 0.7422 0.7422 0.7422 0.9917 0.9917 0.9918 0.9918 1.3637 1.3637 1.3637 1.3637 1.5662 1.5662 1.5662 1.5662 1.7649 1.7649 1.7649 1.7649 7.0761 7.0761 7.0762 7.0762 7.7656 7.7656 7.7657 7.7657 8.0706 8.0706 k = 0.0000 0.3297 0.2610 ( 7934 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2217 -18.2217 -18.2216 -18.2216 -17.8566 -17.8566 -17.8565 -17.8565 -17.8322 -17.8322 -17.8321 -17.8321 -10.8246 -10.8246 -10.8245 -10.8245 -10.6210 -10.6210 -10.6210 -10.6210 -0.2446 -0.2446 -0.2446 -0.2446 0.7444 0.7444 0.7444 0.7444 0.9924 0.9924 0.9924 0.9924 1.3701 1.3701 1.3701 1.3701 1.5799 1.5799 1.5800 1.5800 1.7411 1.7411 1.7411 1.7411 7.0677 7.0677 7.0678 7.0678 7.7590 7.7590 7.7591 7.7591 8.0651 8.0651 k = 0.0000 0.3297 0.2748 ( 7940 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2217 -18.2217 -18.2216 -18.2216 -17.8567 -17.8567 -17.8566 -17.8566 -17.8321 -17.8321 -17.8320 -17.8320 -10.8242 -10.8242 -10.8242 -10.8242 -10.6214 -10.6214 -10.6213 -10.6213 -0.2452 -0.2452 -0.2452 -0.2452 0.7462 0.7462 0.7463 0.7463 0.9929 0.9929 0.9929 0.9929 1.3750 1.3750 1.3750 1.3750 1.5950 1.5950 1.5950 1.5950 1.7182 1.7182 1.7182 1.7182 7.0608 7.0608 7.0609 7.0609 7.7538 7.7538 7.7539 7.7539 8.0602 8.0602 k = 0.0000 0.3297 0.2885 ( 7942 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2217 -18.2217 -18.2216 -18.2216 -17.8568 -17.8568 -17.8567 -17.8567 -17.8321 -17.8321 -17.8320 -17.8320 -10.8239 -10.8239 -10.8239 -10.8239 -10.6216 -10.6216 -10.6216 -10.6216 -0.2457 -0.2457 -0.2456 -0.2456 0.7477 0.7477 0.7477 0.7477 0.9932 0.9932 0.9932 0.9932 1.3784 1.3784 1.3784 1.3784 1.6111 1.6111 1.6111 1.6111 1.6965 1.6965 1.6965 1.6965 7.0557 7.0557 7.0558 7.0558 7.7501 7.7501 7.7501 7.7501 8.0564 8.0564 k = 0.0000 0.3297 0.3022 ( 7944 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2217 -18.2217 -18.2216 -18.2216 -17.8568 -17.8568 -17.8567 -17.8567 -17.8320 -17.8320 -17.8319 -17.8319 -10.8238 -10.8238 -10.8238 -10.8238 -10.6218 -10.6218 -10.6218 -10.6218 -0.2459 -0.2459 -0.2459 -0.2459 0.7486 0.7486 0.7487 0.7487 0.9933 0.9933 0.9934 0.9934 1.3804 1.3804 1.3805 1.3805 1.6271 1.6271 1.6271 1.6271 1.6771 1.6771 1.6772 1.6772 7.0526 7.0526 7.0527 7.0527 7.7478 7.7478 7.7479 7.7479 8.0540 8.0540 k = 0.0000 0.3297 0.3160 ( 7952 PWs) bands (ev): -36.9489 -36.9489 -36.9487 -36.9487 -18.2218 -18.2218 -18.2216 -18.2216 -17.8569 -17.8569 -17.8568 -17.8568 -17.8320 -17.8320 -17.8319 -17.8319 -10.8237 -10.8237 -10.8237 -10.8237 -10.6219 -10.6219 -10.6219 -10.6219 -0.2460 -0.2460 -0.2460 -0.2460 0.7490 0.7490 0.7490 0.7490 0.9934 0.9934 0.9934 0.9934 1.3811 1.3811 1.3811 1.3811 1.6366 1.6366 1.6366 1.6366 1.6665 1.6665 1.6665 1.6665 7.0516 7.0516 7.0516 7.0516 7.7470 7.7470 7.7471 7.7471 8.0531 8.0532 k = 0.5000-0.0000 0.3160 ( 7868 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2375 -18.2375 -18.2279 -18.2279 -17.8779 -17.8779 -17.8652 -17.8652 -17.8406 -17.8406 -17.8388 -17.8388 -10.6743 -10.6743 -10.6743 -10.6743 -10.6499 -10.6499 -10.6465 -10.6465 -0.1837 -0.1837 -0.1419 -0.1419 0.2327 0.2327 0.3565 0.3565 0.7140 0.7140 0.8276 0.8276 0.9633 0.9633 0.9890 0.9890 1.5957 1.5957 1.6481 1.6481 1.7160 1.7160 1.7804 1.7804 6.9871 6.9871 6.9879 6.9879 8.0649 8.0649 8.0818 8.0818 8.3889 8.3889 k = 0.5000-0.0000 0.3022 ( 7868 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2375 -18.2375 -18.2280 -18.2280 -17.8779 -17.8779 -17.8652 -17.8652 -17.8407 -17.8407 -17.8389 -17.8389 -10.6745 -10.6745 -10.6745 -10.6745 -10.6497 -10.6497 -10.6463 -10.6463 -0.1828 -0.1828 -0.1409 -0.1409 0.2327 0.2327 0.3560 0.3560 0.7127 0.7127 0.8295 0.8295 0.9591 0.9591 0.9931 0.9931 1.5942 1.5942 1.6480 1.6480 1.7144 1.7144 1.7801 1.7801 6.9897 6.9897 6.9906 6.9906 8.0648 8.0648 8.0818 8.0818 8.3877 8.3885 k = 0.5000-0.0000 0.2885 ( 7880 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2374 -18.2374 -18.2280 -18.2280 -17.8778 -17.8778 -17.8653 -17.8653 -17.8407 -17.8407 -17.8389 -17.8389 -10.6752 -10.6752 -10.6751 -10.6751 -10.6490 -10.6490 -10.6457 -10.6457 -0.1802 -0.1802 -0.1380 -0.1380 0.2327 0.2327 0.3543 0.3543 0.7093 0.7093 0.8350 0.8350 0.9502 0.9502 1.0017 1.0017 1.5897 1.5897 1.6476 1.6476 1.7096 1.7096 1.7790 1.7790 6.9974 6.9974 6.9985 6.9985 8.0645 8.0645 8.0816 8.0816 8.3844 8.3850 k = 0.5000-0.0000 0.2748 ( 7888 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2374 -18.2374 -18.2281 -18.2281 -17.8778 -17.8778 -17.8653 -17.8653 -17.8407 -17.8407 -17.8389 -17.8389 -10.6762 -10.6762 -10.6760 -10.6760 -10.6480 -10.6480 -10.6448 -10.6448 -0.1759 -0.1759 -0.1332 -0.1332 0.2328 0.2328 0.3515 0.3515 0.7044 0.7044 0.8434 0.8434 0.9400 0.9400 1.0112 1.0112 1.5825 1.5825 1.6470 1.6470 1.7017 1.7017 1.7771 1.7771 7.0102 7.0102 7.0117 7.0117 8.0639 8.0639 8.0813 8.0813 8.3787 8.3788 k = 0.5000-0.0000 0.2610 ( 7906 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2373 -18.2373 -18.2281 -18.2281 -17.8776 -17.8776 -17.8654 -17.8654 -17.8408 -17.8408 -17.8390 -17.8390 -10.6775 -10.6775 -10.6772 -10.6772 -10.6467 -10.6467 -10.6436 -10.6436 -0.1699 -0.1699 -0.1266 -0.1266 0.2330 0.2330 0.3476 0.3476 0.6987 0.6987 0.8538 0.8538 0.9294 0.9294 1.0209 1.0209 1.5727 1.5727 1.6461 1.6461 1.6910 1.6910 1.7745 1.7745 7.0280 7.0280 7.0299 7.0299 8.0632 8.0632 8.0809 8.0809 8.3709 8.3717 k = 0.5000-0.0000 0.2473 ( 7900 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2372 -18.2372 -18.2282 -18.2282 -17.8774 -17.8774 -17.8654 -17.8654 -17.8409 -17.8409 -17.8391 -17.8391 -10.6790 -10.6790 -10.6786 -10.6786 -10.6452 -10.6452 -10.6423 -10.6423 -0.1624 -0.1624 -0.1181 -0.1181 0.2333 0.2333 0.3428 0.3428 0.6928 0.6928 0.8655 0.8655 0.9185 0.9185 1.0302 1.0302 1.5607 1.5607 1.6448 1.6448 1.6777 1.6777 1.7711 1.7711 7.0504 7.0504 7.0529 7.0529 8.0621 8.0621 8.0802 8.0802 8.3605 8.3607 k = 0.5000-0.0000 0.2335 ( 7918 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2371 -18.2371 -18.2283 -18.2283 -17.8772 -17.8772 -17.8655 -17.8655 -17.8410 -17.8410 -17.8392 -17.8392 -10.6806 -10.6806 -10.6801 -10.6801 -10.6436 -10.6436 -10.6409 -10.6409 -0.1532 -0.1532 -0.1079 -0.1079 0.2336 0.2336 0.3370 0.3370 0.6871 0.6871 0.8780 0.8780 0.9075 0.9075 1.0390 1.0390 1.5467 1.5467 1.6434 1.6434 1.6620 1.6620 1.7669 1.7669 7.0772 7.0772 7.0804 7.0804 8.0608 8.0608 8.0793 8.0793 8.3481 8.3587 k = 0.5000-0.0000 0.2198 ( 7902 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2369 -18.2369 -18.2285 -18.2285 -17.8770 -17.8770 -17.8656 -17.8656 -17.8411 -17.8411 -17.8393 -17.8393 -10.6822 -10.6822 -10.6817 -10.6817 -10.6419 -10.6419 -10.6393 -10.6393 -0.1427 -0.1427 -0.0960 -0.0960 0.2341 0.2341 0.3304 0.3304 0.6819 0.6819 0.8909 0.8909 0.8963 0.8963 1.0470 1.0470 1.5312 1.5312 1.6417 1.6417 1.6443 1.6443 1.7621 1.7621 7.1082 7.1082 7.1122 7.1122 8.0590 8.0590 8.0781 8.0781 8.3336 8.3337 k = 0.5000-0.0000 0.2061 ( 7910 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2368 -18.2368 -18.2286 -18.2286 -17.8767 -17.8767 -17.8657 -17.8657 -17.8412 -17.8412 -17.8394 -17.8394 -10.6839 -10.6839 -10.6833 -10.6833 -10.6401 -10.6401 -10.6378 -10.6378 -0.1307 -0.1307 -0.0826 -0.0826 0.2348 0.2348 0.3231 0.3231 0.6772 0.6772 0.8850 0.8850 0.9039 0.9039 1.0542 1.0542 1.5143 1.5143 1.6249 1.6249 1.6400 1.6400 1.7566 1.7566 7.1428 7.1428 7.1478 7.1478 8.0567 8.0567 8.0764 8.0764 8.3172 8.3190 k = 0.5000-0.0000 0.1923 ( 7922 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2366 -18.2366 -18.2288 -18.2288 -17.8764 -17.8764 -17.8658 -17.8658 -17.8413 -17.8413 -17.8396 -17.8396 -10.6856 -10.6856 -10.6850 -10.6850 -10.6384 -10.6384 -10.6362 -10.6362 -0.1176 -0.1176 -0.0678 -0.0678 0.2356 0.2356 0.3152 0.3152 0.6730 0.6730 0.8732 0.8732 0.9168 0.9168 1.0604 1.0604 1.4966 1.4966 1.6041 1.6041 1.6384 1.6384 1.7506 1.7506 7.1808 7.1808 7.1867 7.1867 8.0539 8.0539 8.0742 8.0742 8.2990 8.3003 k = 0.5000-0.0000 0.1786 ( 7908 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2364 -18.2364 -18.2289 -18.2289 -17.8760 -17.8760 -17.8659 -17.8659 -17.8414 -17.8414 -17.8397 -17.8397 -10.6872 -10.6872 -10.6866 -10.6866 -10.6368 -10.6368 -10.6347 -10.6347 -0.1033 -0.1033 -0.0518 -0.0518 0.2368 0.2368 0.3070 0.3070 0.6694 0.6694 0.8610 0.8610 0.9293 0.9293 1.0657 1.0657 1.4785 1.4785 1.5823 1.5823 1.6370 1.6370 1.7442 1.7442 7.2217 7.2217 7.2286 7.2286 8.0504 8.0504 8.0714 8.0714 8.2793 8.2808 k = 0.5000-0.0000 0.1649 ( 7906 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2361 -18.2361 -18.2291 -18.2291 -17.8757 -17.8757 -17.8661 -17.8661 -17.8415 -17.8415 -17.8399 -17.8399 -10.6888 -10.6888 -10.6882 -10.6882 -10.6351 -10.6351 -10.6332 -10.6332 -0.0882 -0.0882 -0.0349 -0.0349 0.2382 0.2382 0.2985 0.2985 0.6661 0.6661 0.8482 0.8482 0.9414 0.9414 1.0698 1.0698 1.4603 1.4603 1.5599 1.5599 1.6359 1.6359 1.7375 1.7375 7.2650 7.2650 7.2730 7.2730 8.0460 8.0460 8.0677 8.0677 8.2586 8.2589 k = 0.5000-0.0000 0.1511 ( 7904 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2359 -18.2359 -18.2293 -18.2293 -17.8752 -17.8752 -17.8663 -17.8663 -17.8416 -17.8416 -17.8400 -17.8400 -10.6903 -10.6903 -10.6897 -10.6897 -10.6336 -10.6336 -10.6318 -10.6318 -0.0723 -0.0723 -0.0172 -0.0172 0.2399 0.2399 0.2900 0.2900 0.6631 0.6631 0.8345 0.8345 0.9530 0.9530 1.0730 1.0730 1.4425 1.4425 1.5372 1.5372 1.6352 1.6352 1.7306 1.7306 7.3103 7.3103 7.3193 7.3193 8.0407 8.0407 8.0631 8.0631 8.2373 8.2416 k = 0.5000-0.0000 0.1374 ( 7900 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2356 -18.2356 -18.2296 -18.2296 -17.8748 -17.8748 -17.8665 -17.8665 -17.8417 -17.8417 -17.8402 -17.8402 -10.6917 -10.6917 -10.6911 -10.6911 -10.6321 -10.6321 -10.6305 -10.6305 -0.0559 -0.0559 0.0009 0.0009 0.2421 0.2421 0.2818 0.2818 0.6602 0.6602 0.8201 0.8201 0.9641 0.9641 1.0751 1.0751 1.4255 1.4255 1.5145 1.5145 1.6349 1.6349 1.7235 1.7235 7.3570 7.3570 7.3671 7.3671 8.0341 8.0341 8.0571 8.0571 8.2158 8.2169 k = 0.5000-0.0000 0.1236 ( 7896 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2353 -18.2353 -18.2298 -18.2298 -17.8744 -17.8744 -17.8667 -17.8667 -17.8417 -17.8417 -17.8403 -17.8403 -10.6930 -10.6930 -10.6924 -10.6924 -10.6308 -10.6308 -10.6293 -10.6293 -0.0392 -0.0392 0.0189 0.0189 0.2445 0.2445 0.2741 0.2741 0.6575 0.6575 0.8047 0.8047 0.9747 0.9747 1.0762 1.0762 1.4096 1.4096 1.4924 1.4924 1.6352 1.6352 1.7164 1.7164 7.4047 7.4047 7.4159 7.4159 8.0259 8.0259 8.0496 8.0496 8.1947 8.1955 k = 0.5000-0.0000 0.1099 ( 7904 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2350 -18.2350 -18.2301 -18.2301 -17.8739 -17.8739 -17.8670 -17.8670 -17.8418 -17.8418 -17.8405 -17.8405 -10.6941 -10.6941 -10.6936 -10.6936 -10.6295 -10.6295 -10.6282 -10.6282 -0.0225 -0.0225 0.0364 0.0364 0.2473 0.2473 0.2671 0.2671 0.6549 0.6549 0.7884 0.7884 0.9847 0.9847 1.0764 1.0764 1.3952 1.3952 1.4710 1.4710 1.6360 1.6360 1.7094 1.7094 7.4529 7.4529 7.4650 7.4650 8.0159 8.0159 8.0400 8.0400 8.1743 8.1757 k = 0.5000-0.0000 0.0962 ( 7920 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2348 -18.2348 -18.2304 -18.2304 -17.8734 -17.8734 -17.8673 -17.8673 -17.8419 -17.8419 -17.8407 -17.8407 -10.6952 -10.6952 -10.6947 -10.6947 -10.6284 -10.6284 -10.6272 -10.6272 -0.0060 -0.0060 0.0525 0.0525 0.2503 0.2503 0.2612 0.2612 0.6525 0.6525 0.7714 0.7714 0.9942 0.9942 1.0758 1.0758 1.3825 1.3825 1.4508 1.4508 1.6374 1.6374 1.7024 1.7024 7.5010 7.5010 7.5141 7.5141 8.0034 8.0034 8.0277 8.0277 8.1559 8.1563 k = 0.5000-0.0000 0.0824 ( 7924 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2344 -18.2344 -18.2306 -18.2306 -17.8730 -17.8730 -17.8676 -17.8676 -17.8419 -17.8419 -17.8409 -17.8409 -10.6961 -10.6961 -10.6957 -10.6957 -10.6273 -10.6273 -10.6264 -10.6264 0.0101 0.0101 0.0668 0.0668 0.2535 0.2535 0.2569 0.2569 0.6504 0.6504 0.7539 0.7539 1.0033 1.0033 1.0744 1.0744 1.3718 1.3718 1.4319 1.4319 1.6394 1.6394 1.6957 1.6957 7.5486 7.5486 7.5626 7.5626 7.9882 7.9882 8.0121 8.0121 8.1394 8.1401 k = 0.5000-0.0000 0.0687 ( 7928 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2341 -18.2341 -18.2309 -18.2309 -17.8725 -17.8725 -17.8679 -17.8679 -17.8419 -17.8419 -17.8411 -17.8411 -10.6969 -10.6969 -10.6966 -10.6966 -10.6265 -10.6265 -10.6257 -10.6257 0.0254 0.0254 0.0783 0.0783 0.2543 0.2543 0.2566 0.2566 0.6490 0.6490 0.7364 0.7364 1.0120 1.0120 1.0722 1.0722 1.3633 1.3633 1.4146 1.4146 1.6418 1.6418 1.6892 1.6892 7.5953 7.5953 7.6100 7.6100 7.9698 7.9698 7.9930 7.9930 8.1258 8.1258 k = 0.5000-0.0000 0.0550 ( 7920 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2338 -18.2338 -18.2312 -18.2312 -17.8720 -17.8720 -17.8683 -17.8683 -17.8419 -17.8419 -17.8412 -17.8412 -10.6976 -10.6976 -10.6973 -10.6973 -10.6257 -10.6257 -10.6251 -10.6251 0.0398 0.0398 0.0863 0.0863 0.2536 0.2536 0.2594 0.2594 0.6485 0.6485 0.7192 0.7192 1.0203 1.0203 1.0691 1.0691 1.3573 1.3573 1.3991 1.3991 1.6448 1.6448 1.6830 1.6830 7.6404 7.6404 7.6557 7.6557 7.9484 7.9484 7.9703 7.9703 8.1154 8.1155 k = 0.5000-0.0000 0.0412 ( 7918 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2335 -18.2335 -18.2315 -18.2315 -17.8715 -17.8715 -17.8687 -17.8687 -17.8419 -17.8419 -17.8413 -17.8413 -10.6980 -10.6980 -10.6978 -10.6978 -10.6251 -10.6251 -10.6246 -10.6246 0.0530 0.0530 0.0906 0.0906 0.2547 0.2547 0.2615 0.2615 0.6495 0.6495 0.7030 0.7030 1.0282 1.0282 1.0653 1.0653 1.3537 1.3537 1.3856 1.3856 1.6483 1.6483 1.6770 1.6770 7.6832 7.6832 7.6987 7.6987 7.9244 7.9244 7.9447 7.9447 8.1079 8.1089 k = 0.5000-0.0000 0.0275 ( 7918 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2332 -18.2332 -18.2318 -18.2318 -17.8710 -17.8710 -17.8691 -17.8691 -17.8419 -17.8419 -17.8415 -17.8415 -10.6984 -10.6984 -10.6983 -10.6983 -10.6247 -10.6247 -10.6243 -10.6243 0.0647 0.0647 0.0912 0.0912 0.2570 0.2570 0.2628 0.2628 0.6523 0.6523 0.6882 0.6882 1.0358 1.0358 1.0607 1.0607 1.3527 1.3527 1.3742 1.3742 1.6522 1.6522 1.6714 1.6714 7.7228 7.7228 7.7375 7.7375 7.8993 7.8993 7.9172 7.9172 8.1031 8.1057 k = 0.5000-0.0000 0.0137 ( 7914 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2328 -18.2328 -18.2322 -18.2322 -17.8705 -17.8705 -17.8695 -17.8695 -17.8418 -17.8418 -17.8416 -17.8416 -10.6986 -10.6986 -10.6985 -10.6985 -10.6244 -10.6244 -10.6242 -10.6242 0.0747 0.0747 0.0884 0.0884 0.2595 0.2595 0.2628 0.2628 0.6575 0.6575 0.6755 0.6755 1.0429 1.0429 1.0554 1.0554 1.3543 1.3543 1.3652 1.3652 1.6564 1.6564 1.6661 1.6661 7.7563 7.7563 7.7674 7.7674 7.8779 7.8779 7.8906 7.8906 8.1003 8.1013 k = 0.5000-0.0000-0.0000 ( 7910 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2326 -18.2326 -18.2324 -18.2324 -17.8701 -17.8701 -17.8699 -17.8699 -17.8418 -17.8418 -17.8416 -17.8416 -10.6986 -10.6986 -10.6986 -10.6986 -10.6242 -10.6242 -10.6242 -10.6242 0.0828 0.0828 0.0828 0.0828 0.2617 0.2617 0.2617 0.2617 0.6652 0.6652 0.6652 0.6652 1.0494 1.0494 1.0495 1.0495 1.3585 1.3585 1.3585 1.3585 1.6611 1.6611 1.6611 1.6611 7.7757 7.7757 7.7758 7.7758 7.8729 7.8729 7.8730 7.8730 8.0998 8.0999 k = 0.5000 0.3297-0.0000 ( 7944 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2386 -18.2386 -18.2268 -18.2268 -17.8795 -17.8795 -17.8634 -17.8634 -17.8414 -17.8414 -17.8387 -17.8387 -10.6953 -10.6953 -10.6953 -10.6953 -10.6297 -10.6297 -10.6255 -10.6255 -0.0435 -0.0435 -0.0236 -0.0236 0.1434 0.1434 0.2664 0.2664 0.7399 0.7399 0.7449 0.7449 0.8479 0.8479 0.9964 0.9964 1.4276 1.4276 1.5205 1.5205 1.8352 1.8352 1.9661 1.9661 7.2388 7.2388 7.2420 7.2420 8.0438 8.0438 8.0523 8.0523 8.3928 8.3928 k = 0.5000 0.3297 0.0137 ( 7952 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2386 -18.2386 -18.2269 -18.2269 -17.8795 -17.8795 -17.8634 -17.8634 -17.8414 -17.8414 -17.8387 -17.8387 -10.6952 -10.6952 -10.6952 -10.6952 -10.6298 -10.6298 -10.6255 -10.6255 -0.0462 -0.0462 -0.0264 -0.0264 0.1439 0.1439 0.2672 0.2672 0.7370 0.7370 0.7468 0.7468 0.8528 0.8528 0.9964 0.9964 1.4284 1.4284 1.5219 1.5219 1.8355 1.8355 1.9664 1.9664 7.2396 7.2396 7.2428 7.2428 8.0425 8.0425 8.0511 8.0511 8.3925 8.3925 k = 0.5000 0.3297 0.0275 ( 7944 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2385 -18.2385 -18.2269 -18.2269 -17.8794 -17.8794 -17.8634 -17.8634 -17.8414 -17.8414 -17.8388 -17.8388 -10.6950 -10.6950 -10.6950 -10.6950 -10.6300 -10.6300 -10.6258 -10.6258 -0.0539 -0.0539 -0.0345 -0.0345 0.1451 0.1451 0.2691 0.2691 0.7300 0.7300 0.7524 0.7524 0.8657 0.8657 0.9962 0.9962 1.4311 1.4311 1.5259 1.5259 1.8363 1.8363 1.9672 1.9672 7.2422 7.2422 7.2453 7.2453 8.0388 8.0388 8.0474 8.0474 8.3916 8.3949 k = 0.5000 0.3297 0.0412 ( 7940 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2385 -18.2385 -18.2270 -18.2270 -17.8793 -17.8793 -17.8635 -17.8635 -17.8415 -17.8415 -17.8388 -17.8388 -10.6946 -10.6946 -10.6946 -10.6946 -10.6303 -10.6303 -10.6261 -10.6261 -0.0661 -0.0661 -0.0471 -0.0471 0.1466 0.1466 0.2715 0.2715 0.7219 0.7219 0.7614 0.7614 0.8837 0.8837 0.9960 0.9960 1.4355 1.4355 1.5326 1.5326 1.8376 1.8376 1.9685 1.9685 7.2465 7.2465 7.2495 7.2495 8.0326 8.0326 8.0413 8.0413 8.3901 8.3905 k = 0.5000 0.3297 0.0550 ( 7936 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2384 -18.2384 -18.2270 -18.2270 -17.8791 -17.8791 -17.8635 -17.8635 -17.8415 -17.8415 -17.8389 -17.8389 -10.6941 -10.6941 -10.6940 -10.6940 -10.6307 -10.6307 -10.6266 -10.6266 -0.0818 -0.0818 -0.0633 -0.0633 0.1477 0.1477 0.2735 0.2735 0.7151 0.7151 0.7736 0.7736 0.9043 0.9043 0.9957 0.9957 1.4417 1.4417 1.5417 1.5417 1.8395 1.8395 1.9702 1.9702 7.2524 7.2524 7.2552 7.2552 8.0240 8.0240 8.0328 8.0328 8.3880 8.3883 k = 0.5000 0.3297 0.0687 ( 7936 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2382 -18.2382 -18.2272 -18.2272 -17.8789 -17.8789 -17.8636 -17.8636 -17.8416 -17.8416 -17.8390 -17.8390 -10.6935 -10.6935 -10.6934 -10.6934 -10.6313 -10.6313 -10.6272 -10.6272 -0.1002 -0.1002 -0.0821 -0.0821 0.1481 0.1481 0.2740 0.2740 0.7110 0.7110 0.7883 0.7883 0.9262 0.9262 0.9954 0.9954 1.4497 1.4497 1.5531 1.5531 1.8418 1.8418 1.9724 1.9724 7.2600 7.2600 7.2626 7.2626 8.0129 8.0129 8.0219 8.0219 8.3853 8.3859 k = 0.5000 0.3297 0.0824 ( 7920 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2381 -18.2381 -18.2273 -18.2273 -17.8786 -17.8786 -17.8637 -17.8637 -17.8416 -17.8416 -17.8390 -17.8390 -10.6927 -10.6927 -10.6925 -10.6925 -10.6320 -10.6320 -10.6279 -10.6279 -0.1204 -0.1204 -0.1028 -0.1028 0.1476 0.1476 0.2724 0.2724 0.7101 0.7101 0.8052 0.8052 0.9483 0.9483 0.9950 0.9950 1.4597 1.4597 1.5667 1.5667 1.8446 1.8446 1.9749 1.9749 7.2691 7.2691 7.2715 7.2715 7.9997 7.9997 8.0088 8.0088 8.3819 8.3834 k = 0.5000 0.3297 0.0962 ( 7924 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2379 -18.2379 -18.2274 -18.2274 -17.8783 -17.8783 -17.8639 -17.8639 -17.8417 -17.8417 -17.8391 -17.8391 -10.6918 -10.6918 -10.6916 -10.6916 -10.6328 -10.6328 -10.6288 -10.6288 -0.1416 -0.1416 -0.1246 -0.1246 0.1461 0.1461 0.2685 0.2685 0.7126 0.7126 0.8234 0.8234 0.9701 0.9701 0.9948 0.9948 1.4715 1.4715 1.5820 1.5820 1.8478 1.8478 1.9777 1.9777 7.2799 7.2799 7.2819 7.2819 7.9842 7.9842 7.9935 7.9935 8.3782 8.3795 k = 0.5000 0.3297 0.1099 ( 7916 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2377 -18.2377 -18.2276 -18.2276 -17.8780 -17.8780 -17.8640 -17.8640 -17.8418 -17.8418 -17.8393 -17.8393 -10.6908 -10.6908 -10.6905 -10.6905 -10.6337 -10.6337 -10.6298 -10.6298 -0.1634 -0.1634 -0.1470 -0.1470 0.1437 0.1437 0.2622 0.2622 0.7184 0.7184 0.8423 0.8423 0.9909 0.9909 0.9949 0.9949 1.4851 1.4851 1.5989 1.5989 1.8514 1.8514 1.9806 1.9806 7.2921 7.2921 7.2938 7.2938 7.9667 7.9667 7.9762 7.9762 8.3738 8.3749 k = 0.5000 0.3297 0.1236 ( 7928 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2375 -18.2375 -18.2278 -18.2278 -17.8776 -17.8776 -17.8642 -17.8642 -17.8419 -17.8419 -17.8394 -17.8394 -10.6896 -10.6896 -10.6893 -10.6893 -10.6347 -10.6347 -10.6309 -10.6309 -0.1853 -0.1853 -0.1695 -0.1695 0.1405 0.1405 0.2537 0.2537 0.7269 0.7269 0.8612 0.8612 0.9956 0.9956 1.0106 1.0106 1.5005 1.5005 1.6169 1.6169 1.8554 1.8554 1.9836 1.9836 7.3058 7.3058 7.3071 7.3071 7.9472 7.9472 7.9569 7.9569 8.3683 8.3704 k = 0.5000 0.3297 0.1374 ( 7924 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2372 -18.2372 -18.2281 -18.2281 -17.8772 -17.8772 -17.8644 -17.8644 -17.8420 -17.8420 -17.8396 -17.8396 -10.6884 -10.6884 -10.6880 -10.6880 -10.6358 -10.6358 -10.6321 -10.6321 -0.2068 -0.2068 -0.1918 -0.1918 0.1367 0.1367 0.2436 0.2436 0.7375 0.7375 0.8792 0.8792 0.9973 0.9973 1.0289 1.0289 1.5174 1.5174 1.6357 1.6357 1.8597 1.8597 1.9866 1.9866 7.3209 7.3209 7.3217 7.3217 7.9262 7.9262 7.9361 7.9361 8.3625 8.3641 k = 0.5000 0.3297 0.1511 ( 7908 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2369 -18.2369 -18.2283 -18.2283 -17.8768 -17.8768 -17.8647 -17.8647 -17.8420 -17.8420 -17.8397 -17.8397 -10.6871 -10.6871 -10.6865 -10.6865 -10.6370 -10.6370 -10.6334 -10.6334 -0.2276 -0.2276 -0.2134 -0.2134 0.1326 0.1326 0.2323 0.2323 0.7497 0.7497 0.8951 0.8951 1.0006 1.0006 1.0456 1.0456 1.5357 1.5357 1.6548 1.6548 1.8643 1.8643 1.9894 1.9894 7.3374 7.3374 7.3376 7.3376 7.9037 7.9037 7.9138 7.9138 8.3566 8.3576 k = 0.5000 0.3297 0.1649 ( 7900 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2366 -18.2366 -18.2286 -18.2286 -17.8763 -17.8763 -17.8649 -17.8649 -17.8421 -17.8421 -17.8399 -17.8399 -10.6856 -10.6856 -10.6850 -10.6850 -10.6383 -10.6383 -10.6348 -10.6348 -0.2474 -0.2474 -0.2342 -0.2342 0.1283 0.1283 0.2202 0.2202 0.7628 0.7628 0.9080 0.9080 1.0063 1.0063 1.0606 1.0606 1.5551 1.5551 1.6738 1.6738 1.8694 1.8694 1.9919 1.9919 7.3547 7.3547 7.3551 7.3551 7.8800 7.8800 7.8902 7.8902 8.3495 8.3503 k = 0.5000 0.3297 0.1786 ( 7900 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2363 -18.2363 -18.2289 -18.2289 -17.8758 -17.8758 -17.8652 -17.8652 -17.8422 -17.8422 -17.8401 -17.8401 -10.6841 -10.6841 -10.6835 -10.6835 -10.6396 -10.6396 -10.6362 -10.6362 -0.2661 -0.2661 -0.2539 -0.2539 0.1240 0.1240 0.2078 0.2078 0.7764 0.7764 0.9171 0.9171 1.0147 1.0147 1.0740 1.0740 1.5752 1.5752 1.6920 1.6920 1.8750 1.8750 1.9940 1.9940 7.3730 7.3730 7.3739 7.3739 7.8553 7.8553 7.8656 7.8656 8.3421 8.3427 k = 0.5000 0.3297 0.1923 ( 7904 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2360 -18.2360 -18.2292 -18.2292 -17.8753 -17.8753 -17.8656 -17.8656 -17.8422 -17.8422 -17.8402 -17.8402 -10.6826 -10.6826 -10.6818 -10.6818 -10.6410 -10.6410 -10.6378 -10.6378 -0.2834 -0.2834 -0.2723 -0.2723 0.1200 0.1200 0.1954 0.1954 0.7902 0.7902 0.9224 0.9224 1.0256 1.0256 1.0857 1.0857 1.5956 1.5956 1.7091 1.7091 1.8812 1.8812 1.9955 1.9955 7.3922 7.3922 7.3937 7.3937 7.8299 7.8299 7.8402 7.8402 8.3342 8.3343 k = 0.5000 0.3297 0.2061 ( 7912 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2356 -18.2356 -18.2295 -18.2295 -17.8747 -17.8747 -17.8660 -17.8660 -17.8422 -17.8422 -17.8404 -17.8404 -10.6810 -10.6810 -10.6802 -10.6802 -10.6424 -10.6424 -10.6393 -10.6393 -0.2992 -0.2992 -0.2893 -0.2893 0.1163 0.1163 0.1832 0.1832 0.8037 0.8037 0.9245 0.9245 1.0381 1.0381 1.0958 1.0958 1.6161 1.6161 1.7243 1.7243 1.8882 1.8882 1.9963 1.9963 7.4123 7.4123 7.4145 7.4145 7.8039 7.8039 7.8142 7.8142 8.3258 8.3260 k = 0.5000 0.3297 0.2198 ( 7904 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2353 -18.2353 -18.2298 -18.2298 -17.8742 -17.8742 -17.8664 -17.8664 -17.8422 -17.8422 -17.8406 -17.8406 -10.6794 -10.6794 -10.6785 -10.6785 -10.6438 -10.6438 -10.6410 -10.6410 -0.3134 -0.3134 -0.3046 -0.3046 0.1132 0.1132 0.1716 0.1716 0.8168 0.8168 0.9242 0.9242 1.0513 1.0513 1.1042 1.1042 1.6363 1.6363 1.7371 1.7371 1.8960 1.8960 1.9962 1.9962 7.4333 7.4333 7.4362 7.4362 7.7777 7.7777 7.7879 7.7879 8.3175 8.3175 k = 0.5000 0.3297 0.2335 ( 7908 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2349 -18.2349 -18.2302 -18.2302 -17.8736 -17.8736 -17.8668 -17.8668 -17.8422 -17.8422 -17.8408 -17.8408 -10.6778 -10.6778 -10.6769 -10.6769 -10.6452 -10.6452 -10.6426 -10.6426 -0.3258 -0.3258 -0.3182 -0.3182 0.1108 0.1108 0.1607 0.1607 0.8293 0.8293 0.9222 0.9222 1.0644 1.0644 1.1110 1.1110 1.6559 1.6559 1.7471 1.7471 1.9048 1.9048 1.9952 1.9952 7.4549 7.4549 7.4587 7.4587 7.7513 7.7513 7.7615 7.7615 8.3093 8.3094 k = 0.5000 0.3297 0.2473 ( 7888 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2345 -18.2345 -18.2305 -18.2305 -17.8730 -17.8730 -17.8673 -17.8673 -17.8422 -17.8422 -17.8410 -17.8410 -10.6763 -10.6763 -10.6754 -10.6754 -10.6465 -10.6465 -10.6441 -10.6441 -0.3363 -0.3363 -0.3299 -0.3299 0.1092 0.1092 0.1506 0.1506 0.8412 0.8412 0.9189 0.9189 1.0767 1.0767 1.1162 1.1162 1.6744 1.6744 1.7540 1.7540 1.9144 1.9144 1.9931 1.9931 7.4773 7.4773 7.4818 7.4818 7.7250 7.7250 7.7350 7.7350 8.3016 8.3018 k = 0.5000 0.3297 0.2610 ( 7880 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2341 -18.2341 -18.2309 -18.2309 -17.8724 -17.8724 -17.8678 -17.8678 -17.8421 -17.8421 -17.8411 -17.8411 -10.6749 -10.6749 -10.6740 -10.6740 -10.6477 -10.6477 -10.6457 -10.6457 -0.3449 -0.3449 -0.3398 -0.3398 0.1085 0.1085 0.1415 0.1415 0.8523 0.8523 0.9145 0.9145 1.0879 1.0879 1.1198 1.1198 1.6917 1.6917 1.7578 1.7578 1.9246 1.9246 1.9899 1.9899 7.5002 7.5002 7.5055 7.5055 7.6988 7.6988 7.7086 7.7086 8.2947 8.2949 k = 0.5000 0.3297 0.2748 ( 7888 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2337 -18.2337 -18.2313 -18.2313 -17.8718 -17.8718 -17.8683 -17.8683 -17.8421 -17.8421 -17.8413 -17.8413 -10.6736 -10.6736 -10.6728 -10.6728 -10.6487 -10.6487 -10.6470 -10.6470 -0.3515 -0.3515 -0.3476 -0.3476 0.1088 0.1088 0.1335 0.1335 0.8627 0.8627 0.9093 0.9093 1.0976 1.0976 1.1217 1.1217 1.7075 1.7075 1.7584 1.7584 1.9351 1.9351 1.9854 1.9854 7.5236 7.5236 7.5296 7.5296 7.6729 7.6729 7.6823 7.6823 8.2889 8.2891 k = 0.5000 0.3297 0.2885 ( 7888 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2333 -18.2333 -18.2317 -18.2317 -17.8712 -17.8712 -17.8688 -17.8688 -17.8420 -17.8420 -17.8415 -17.8415 -10.6725 -10.6725 -10.6719 -10.6719 -10.6494 -10.6494 -10.6482 -10.6482 -0.3561 -0.3561 -0.3535 -0.3535 0.1101 0.1101 0.1265 0.1265 0.8723 0.8723 0.9033 0.9033 1.1059 1.1059 1.1220 1.1220 1.7215 1.7215 1.7561 1.7561 1.9455 1.9455 1.9796 1.9796 7.5474 7.5474 7.5541 7.5541 7.6472 7.6472 7.6562 7.6562 8.2847 8.2847 k = 0.5000 0.3297 0.3022 ( 7892 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2329 -18.2329 -18.2321 -18.2321 -17.8706 -17.8706 -17.8694 -17.8694 -17.8419 -17.8419 -17.8416 -17.8416 -10.6717 -10.6717 -10.6714 -10.6714 -10.6497 -10.6497 -10.6491 -10.6491 -0.3586 -0.3586 -0.3573 -0.3573 0.1125 0.1125 0.1207 0.1207 0.8811 0.8811 0.8966 0.8966 1.1125 1.1125 1.1205 1.1205 1.7335 1.7335 1.7510 1.7510 1.9554 1.9554 1.9727 1.9727 7.5716 7.5716 7.5788 7.5788 7.6221 7.6221 7.6306 7.6306 8.2819 8.2820 k = 0.5000 0.3297 0.3160 ( 7896 PWs) bands (ev): -36.9474 -36.9474 -36.9472 -36.9472 -18.2326 -18.2326 -18.2324 -18.2324 -17.8701 -17.8701 -17.8699 -17.8699 -17.8419 -17.8419 -17.8417 -17.8417 -10.6714 -10.6714 -10.6713 -10.6713 -10.6496 -10.6496 -10.6496 -10.6496 -0.3590 -0.3590 -0.3590 -0.3590 0.1160 0.1160 0.1160 0.1160 0.8892 0.8892 0.8892 0.8892 1.1173 1.1173 1.1174 1.1174 1.7434 1.7434 1.7435 1.7435 1.9645 1.9645 1.9645 1.9645 7.5945 7.5945 7.5946 7.5946 7.6066 7.6066 7.6067 7.6067 8.2810 8.2811 Writing output data file CaBr2.save init_run : 0.26s CPU 0.82s WALL ( 1 calls) electrons : 533.39s CPU 541.77s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.22s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 533.37s CPU 541.76s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.06s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.13s CPU 0.12s WALL ( 348 calls) cegterg : 514.25s CPU 519.79s WALL ( 1315 calls) Called by sum_band: Called by *egterg: h_psi : 236.89s CPU 239.78s WALL ( 25666 calls) s_psi : 11.52s CPU 11.53s WALL ( 25666 calls) g_psi : 0.99s CPU 0.93s WALL ( 24003 calls) cdiaghg : 198.41s CPU 200.06s WALL ( 24351 calls) cegterg:over : 26.11s CPU 26.07s WALL ( 24003 calls) cegterg:upda : 31.04s CPU 31.91s WALL ( 24003 calls) cegterg:last : 10.75s CPU 10.88s WALL ( 2600 calls) cdiaghg:chol : 11.32s CPU 11.36s WALL ( 24351 calls) cdiaghg:inve : 7.68s CPU 7.75s WALL ( 24351 calls) cdiaghg:para : 12.00s CPU 12.14s WALL ( 48702 calls) Called by h_psi: h_psi:vloc : 206.66s CPU 209.64s WALL ( 25666 calls) h_psi:vnl : 29.04s CPU 28.90s WALL ( 25666 calls) add_vuspsi : 13.73s CPU 13.45s WALL ( 25666 calls) General routines calbec : 15.20s CPU 15.37s WALL ( 25666 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 193.34s CPU 196.49s WALL ( 1728108 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.29s CPU 0.44s WALL ( 696 calls) Parallel routines fft_scatter : 67.32s CPU 68.20s WALL ( 1728131 calls) PWSCF : 9m20.70s CPU 10m15.27s WALL This run was terminated on: 15:55:37 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=