Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:37: 9 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: ./Li2O2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 41 41 11 1447 1447 221 Max 42 42 12 1451 1451 226 Sum 1481 1481 421 52141 52141 8073 bravais-lattice index = 14 lattice parameter (alat) = 6.7066 a.u. unit-cell volume = 368.3812 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 18.00 number of Kohn-Sham states= 26 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.706638 celldm(2)= 1.000000 celldm(3)= 1.221189 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 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.221189 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 0.818874 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 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 Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Li 3.00 6.94100 Li( 1.00) 4 Sym. Ops., with inversion, found (note: 12 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 [1,1,0] cryst. s( 2) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 2) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -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 [1,1,0] cryst. s( 4) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 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 [1,1,0] -C2 -2 180 deg rotation - cart. axis [1,1,0] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [1,1,0] -s_h -4 inv. 180 deg rotation - cart. axis [1,1,0] E Cartesian axes number of k points= 426 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023474 k( 2) = ( 0.0000000 0.0111111 -0.0000000), wk = 0.0023474 k( 3) = ( 0.0000000 0.0222222 -0.0000000), wk = 0.0023474 k( 4) = ( 0.0000000 0.0333333 -0.0000000), wk = 0.0023474 k( 5) = ( 0.0000000 0.0444444 -0.0000000), wk = 0.0023474 k( 6) = ( 0.0000000 0.0555556 -0.0000000), wk = 0.0023474 k( 7) = ( 0.0000000 0.0666667 -0.0000000), wk = 0.0023474 k( 8) = ( 0.0000000 0.0777778 -0.0000000), wk = 0.0023474 k( 9) = ( 0.0000000 0.0888889 -0.0000000), wk = 0.0023474 k( 10) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0023474 k( 11) = ( 0.0000000 0.1111111 -0.0000000), wk = 0.0023474 k( 12) = ( 0.0000000 0.1222222 -0.0000000), wk = 0.0023474 k( 13) = ( 0.0000000 0.1333333 -0.0000000), wk = 0.0023474 k( 14) = ( 0.0000000 0.1444444 -0.0000000), wk = 0.0023474 k( 15) = ( 0.0000000 0.1555556 -0.0000000), wk = 0.0023474 k( 16) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0023474 k( 17) = ( 0.0000000 0.1777778 -0.0000000), wk = 0.0023474 k( 18) = ( 0.0000000 0.1888889 -0.0000000), wk = 0.0023474 k( 19) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0023474 k( 20) = ( 0.0000000 0.2111111 -0.0000000), wk = 0.0023474 k( 21) = ( 0.0000000 0.2222222 -0.0000000), wk = 0.0023474 k( 22) = ( 0.0000000 0.2333333 -0.0000000), wk = 0.0023474 k( 23) = ( 0.0000000 0.2444444 -0.0000000), wk = 0.0023474 k( 24) = ( 0.0000000 0.2555556 -0.0000000), wk = 0.0023474 k( 25) = ( 0.0000000 0.2666667 -0.0000000), wk = 0.0023474 k( 26) = ( 0.0000000 0.2777778 -0.0000000), wk = 0.0023474 k( 27) = ( 0.0000000 0.2888889 -0.0000000), wk = 0.0023474 k( 28) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0023474 k( 29) = ( 0.0000000 0.3111111 -0.0000000), wk = 0.0023474 k( 30) = ( 0.0000000 0.3222222 -0.0000000), wk = 0.0023474 k( 31) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0023474 k( 32) = ( 0.0000000 0.3444444 -0.0000000), wk = 0.0023474 k( 33) = ( 0.0000000 0.3555556 -0.0000000), wk = 0.0023474 k( 34) = ( 0.0000000 0.3666667 -0.0000000), wk = 0.0023474 k( 35) = ( 0.0000000 0.3777778 -0.0000000), wk = 0.0023474 k( 36) = ( 0.0000000 0.3888889 -0.0000000), wk = 0.0023474 k( 37) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0023474 k( 38) = ( 0.0000000 0.4111111 -0.0000000), wk = 0.0023474 k( 39) = ( 0.0000000 0.4222222 -0.0000000), wk = 0.0023474 k( 40) = ( 0.0000000 0.4333333 -0.0000000), wk = 0.0023474 k( 41) = ( 0.0000000 0.4444444 -0.0000000), wk = 0.0023474 k( 42) = ( 0.0000000 0.4555556 -0.0000000), wk = 0.0023474 k( 43) = ( 0.0000000 0.4666667 -0.0000000), wk = 0.0023474 k( 44) = ( 0.0000000 0.4777778 -0.0000000), wk = 0.0023474 k( 45) = ( 0.0000000 0.4888889 -0.0000000), wk = 0.0023474 k( 46) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0023474 k( 47) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0023474 k( 48) = ( 0.0111111 0.5000000 -0.0000000), wk = 0.0023474 k( 49) = ( 0.0222222 0.5000000 -0.0000000), wk = 0.0023474 k( 50) = ( 0.0333333 0.5000000 -0.0000000), wk = 0.0023474 k( 51) = ( 0.0444444 0.5000000 -0.0000000), wk = 0.0023474 k( 52) = ( 0.0555556 0.5000000 -0.0000000), wk = 0.0023474 k( 53) = ( 0.0666667 0.5000000 -0.0000000), wk = 0.0023474 k( 54) = ( 0.0777778 0.5000000 -0.0000000), wk = 0.0023474 k( 55) = ( 0.0888889 0.5000000 -0.0000000), wk = 0.0023474 k( 56) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0023474 k( 57) = ( 0.1111111 0.5000000 -0.0000000), wk = 0.0023474 k( 58) = ( 0.1222222 0.5000000 -0.0000000), wk = 0.0023474 k( 59) = ( 0.1333333 0.5000000 -0.0000000), wk = 0.0023474 k( 60) = ( 0.1444444 0.5000000 -0.0000000), wk = 0.0023474 k( 61) = ( 0.1555556 0.5000000 -0.0000000), wk = 0.0023474 k( 62) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0023474 k( 63) = ( 0.1777778 0.5000000 -0.0000000), wk = 0.0023474 k( 64) = ( 0.1888889 0.5000000 -0.0000000), wk = 0.0023474 k( 65) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0023474 k( 66) = ( 0.2111111 0.5000000 -0.0000000), wk = 0.0023474 k( 67) = ( 0.2222222 0.5000000 -0.0000000), wk = 0.0023474 k( 68) = ( 0.2333333 0.5000000 -0.0000000), wk = 0.0023474 k( 69) = ( 0.2444444 0.5000000 -0.0000000), wk = 0.0023474 k( 70) = ( 0.2555556 0.5000000 -0.0000000), wk = 0.0023474 k( 71) = ( 0.2666667 0.5000000 -0.0000000), wk = 0.0023474 k( 72) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0023474 k( 73) = ( 0.2888889 0.5000000 -0.0000000), wk = 0.0023474 k( 74) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0023474 k( 75) = ( 0.3111111 0.5000000 -0.0000000), wk = 0.0023474 k( 76) = ( 0.3222222 0.5000000 -0.0000000), wk = 0.0023474 k( 77) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0023474 k( 78) = ( 0.3444444 0.5000000 -0.0000000), wk = 0.0023474 k( 79) = ( 0.3555556 0.5000000 -0.0000000), wk = 0.0023474 k( 80) = ( 0.3666667 0.5000000 -0.0000000), wk = 0.0023474 k( 81) = ( 0.3777778 0.5000000 -0.0000000), wk = 0.0023474 k( 82) = ( 0.3888889 0.5000000 -0.0000000), wk = 0.0023474 k( 83) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0023474 k( 84) = ( 0.4111111 0.5000000 -0.0000000), wk = 0.0023474 k( 85) = ( 0.4222222 0.5000000 -0.0000000), wk = 0.0023474 k( 86) = ( 0.4333333 0.5000000 -0.0000000), wk = 0.0023474 k( 87) = ( 0.4444444 0.5000000 -0.0000000), wk = 0.0023474 k( 88) = ( 0.4555556 0.5000000 -0.0000000), wk = 0.0023474 k( 89) = ( 0.4666667 0.5000000 -0.0000000), wk = 0.0023474 k( 90) = ( 0.4777778 0.5000000 -0.0000000), wk = 0.0023474 k( 91) = ( 0.4888889 0.5000000 -0.0000000), wk = 0.0023474 k( 92) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0023474 k( 93) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0023474 k( 94) = ( 0.4920635 0.4920635 -0.0000000), wk = 0.0023474 k( 95) = ( 0.4841270 0.4841270 -0.0000000), wk = 0.0023474 k( 96) = ( 0.4761905 0.4761905 -0.0000000), wk = 0.0023474 k( 97) = ( 0.4682540 0.4682540 -0.0000000), wk = 0.0023474 k( 98) = ( 0.4603175 0.4603175 -0.0000000), wk = 0.0023474 k( 99) = ( 0.4523810 0.4523809 -0.0000000), wk = 0.0023474 k( 100) = ( 0.4444444 0.4444444 -0.0000000), wk = 0.0023474 k( 101) = ( 0.4365079 0.4365079 -0.0000000), wk = 0.0023474 k( 102) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0023474 k( 103) = ( 0.4206349 0.4206349 -0.0000000), wk = 0.0023474 k( 104) = ( 0.4126984 0.4126984 -0.0000000), wk = 0.0023474 k( 105) = ( 0.4047619 0.4047619 -0.0000000), wk = 0.0023474 k( 106) = ( 0.3968254 0.3968254 -0.0000000), wk = 0.0023474 k( 107) = ( 0.3888889 0.3888889 -0.0000000), wk = 0.0023474 k( 108) = ( 0.3809524 0.3809524 -0.0000000), wk = 0.0023474 k( 109) = ( 0.3730159 0.3730159 -0.0000000), wk = 0.0023474 k( 110) = ( 0.3650794 0.3650794 -0.0000000), wk = 0.0023474 k( 111) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0023474 k( 112) = ( 0.3492063 0.3492063 -0.0000000), wk = 0.0023474 k( 113) = ( 0.3412698 0.3412698 -0.0000000), wk = 0.0023474 k( 114) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0023474 k( 115) = ( 0.3253968 0.3253968 -0.0000000), wk = 0.0023474 k( 116) = ( 0.3174603 0.3174603 -0.0000000), wk = 0.0023474 k( 117) = ( 0.3095238 0.3095238 -0.0000000), wk = 0.0023474 k( 118) = ( 0.3015873 0.3015873 -0.0000000), wk = 0.0023474 k( 119) = ( 0.2936508 0.2936508 -0.0000000), wk = 0.0023474 k( 120) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0023474 k( 121) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0023474 k( 122) = ( 0.2698413 0.2698413 -0.0000000), wk = 0.0023474 k( 123) = ( 0.2619048 0.2619048 -0.0000000), wk = 0.0023474 k( 124) = ( 0.2539683 0.2539683 -0.0000000), wk = 0.0023474 k( 125) = ( 0.2460317 0.2460317 -0.0000000), wk = 0.0023474 k( 126) = ( 0.2380952 0.2380952 -0.0000000), wk = 0.0023474 k( 127) = ( 0.2301587 0.2301587 -0.0000000), wk = 0.0023474 k( 128) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0023474 k( 129) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0023474 k( 130) = ( 0.2063492 0.2063492 -0.0000000), wk = 0.0023474 k( 131) = ( 0.1984127 0.1984127 -0.0000000), wk = 0.0023474 k( 132) = ( 0.1904762 0.1904762 -0.0000000), wk = 0.0023474 k( 133) = ( 0.1825397 0.1825397 -0.0000000), wk = 0.0023474 k( 134) = ( 0.1746032 0.1746032 -0.0000000), wk = 0.0023474 k( 135) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0023474 k( 136) = ( 0.1587302 0.1587302 -0.0000000), wk = 0.0023474 k( 137) = ( 0.1507937 0.1507936 -0.0000000), wk = 0.0023474 k( 138) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0023474 k( 139) = ( 0.1349206 0.1349206 -0.0000000), wk = 0.0023474 k( 140) = ( 0.1269841 0.1269841 -0.0000000), wk = 0.0023474 k( 141) = ( 0.1190476 0.1190476 -0.0000000), wk = 0.0023474 k( 142) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0023474 k( 143) = ( 0.1031746 0.1031746 -0.0000000), wk = 0.0023474 k( 144) = ( 0.0952381 0.0952381 -0.0000000), wk = 0.0023474 k( 145) = ( 0.0873016 0.0873016 -0.0000000), wk = 0.0023474 k( 146) = ( 0.0793651 0.0793651 -0.0000000), wk = 0.0023474 k( 147) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0023474 k( 148) = ( 0.0634921 0.0634921 -0.0000000), wk = 0.0023474 k( 149) = ( 0.0555556 0.0555556 -0.0000000), wk = 0.0023474 k( 150) = ( 0.0476191 0.0476190 -0.0000000), wk = 0.0023474 k( 151) = ( 0.0396825 0.0396825 -0.0000000), wk = 0.0023474 k( 152) = ( 0.0317460 0.0317460 -0.0000000), wk = 0.0023474 k( 153) = ( 0.0238095 0.0238095 -0.0000000), wk = 0.0023474 k( 154) = ( 0.0158730 0.0158730 -0.0000000), wk = 0.0023474 k( 155) = ( 0.0079365 0.0079365 -0.0000000), wk = 0.0023474 k( 156) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023474 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023474 k( 158) = ( 0.0000000 0.0000000 0.0110659), wk = 0.0023474 k( 159) = ( 0.0000000 0.0000000 0.0221317), wk = 0.0023474 k( 160) = ( 0.0000000 0.0000000 0.0331976), wk = 0.0023474 k( 161) = ( 0.0000000 0.0000000 0.0442635), wk = 0.0023474 k( 162) = ( 0.0000000 0.0000000 0.0553293), wk = 0.0023474 k( 163) = ( 0.0000000 0.0000000 0.0663952), wk = 0.0023474 k( 164) = ( 0.0000000 0.0000000 0.0774611), wk = 0.0023474 k( 165) = ( 0.0000000 0.0000000 0.0885269), wk = 0.0023474 k( 166) = ( 0.0000000 0.0000000 0.0995928), wk = 0.0023474 k( 167) = ( 0.0000000 0.0000000 0.1106587), wk = 0.0023474 k( 168) = ( 0.0000000 0.0000000 0.1217245), wk = 0.0023474 k( 169) = ( 0.0000000 0.0000000 0.1327904), wk = 0.0023474 k( 170) = ( 0.0000000 0.0000000 0.1438563), wk = 0.0023474 k( 171) = ( 0.0000000 0.0000000 0.1549221), wk = 0.0023474 k( 172) = ( 0.0000000 0.0000000 0.1659880), wk = 0.0023474 k( 173) = ( 0.0000000 0.0000000 0.1770538), wk = 0.0023474 k( 174) = ( 0.0000000 0.0000000 0.1881197), wk = 0.0023474 k( 175) = ( 0.0000000 0.0000000 0.1991856), wk = 0.0023474 k( 176) = ( 0.0000000 0.0000000 0.2102514), wk = 0.0023474 k( 177) = ( 0.0000000 0.0000000 0.2213173), wk = 0.0023474 k( 178) = ( 0.0000000 0.0000000 0.2323832), wk = 0.0023474 k( 179) = ( 0.0000000 0.0000000 0.2434490), wk = 0.0023474 k( 180) = ( 0.0000000 0.0000000 0.2545149), wk = 0.0023474 k( 181) = ( 0.0000000 0.0000000 0.2655808), wk = 0.0023474 k( 182) = ( 0.0000000 0.0000000 0.2766466), wk = 0.0023474 k( 183) = ( 0.0000000 0.0000000 0.2877125), wk = 0.0023474 k( 184) = ( 0.0000000 0.0000000 0.2987784), wk = 0.0023474 k( 185) = ( 0.0000000 0.0000000 0.3098442), wk = 0.0023474 k( 186) = ( 0.0000000 0.0000000 0.3209101), wk = 0.0023474 k( 187) = ( 0.0000000 0.0000000 0.3319760), wk = 0.0023474 k( 188) = ( 0.0000000 0.0000000 0.3430418), wk = 0.0023474 k( 189) = ( 0.0000000 0.0000000 0.3541077), wk = 0.0023474 k( 190) = ( 0.0000000 0.0000000 0.3651736), wk = 0.0023474 k( 191) = ( 0.0000000 0.0000000 0.3762394), wk = 0.0023474 k( 192) = ( 0.0000000 0.0000000 0.3873053), wk = 0.0023474 k( 193) = ( 0.0000000 0.0000000 0.3983711), wk = 0.0023474 k( 194) = ( 0.0000000 0.0000000 0.4094370), wk = 0.0023474 k( 195) = ( 0.0000000 0.0000000 0.4094370), wk = 0.0023474 k( 196) = ( 0.0000000 0.0111111 0.4094370), wk = 0.0023474 k( 197) = ( 0.0000000 0.0222222 0.4094370), wk = 0.0023474 k( 198) = ( 0.0000000 0.0333333 0.4094370), wk = 0.0023474 k( 199) = ( 0.0000000 0.0444444 0.4094370), wk = 0.0023474 k( 200) = ( 0.0000000 0.0555556 0.4094370), wk = 0.0023474 k( 201) = ( 0.0000000 0.0666667 0.4094370), wk = 0.0023474 k( 202) = ( 0.0000000 0.0777778 0.4094370), wk = 0.0023474 k( 203) = ( 0.0000000 0.0888889 0.4094370), wk = 0.0023474 k( 204) = ( 0.0000000 0.1000000 0.4094370), wk = 0.0023474 k( 205) = ( 0.0000000 0.1111111 0.4094370), wk = 0.0023474 k( 206) = ( 0.0000000 0.1222222 0.4094370), wk = 0.0023474 k( 207) = ( 0.0000000 0.1333333 0.4094370), wk = 0.0023474 k( 208) = ( 0.0000000 0.1444444 0.4094370), wk = 0.0023474 k( 209) = ( 0.0000000 0.1555556 0.4094370), wk = 0.0023474 k( 210) = ( 0.0000000 0.1666667 0.4094370), wk = 0.0023474 k( 211) = ( 0.0000000 0.1777778 0.4094370), wk = 0.0023474 k( 212) = ( 0.0000000 0.1888889 0.4094370), wk = 0.0023474 k( 213) = ( 0.0000000 0.2000000 0.4094370), wk = 0.0023474 k( 214) = ( 0.0000000 0.2111111 0.4094370), wk = 0.0023474 k( 215) = ( 0.0000000 0.2222222 0.4094370), wk = 0.0023474 k( 216) = ( 0.0000000 0.2333333 0.4094370), wk = 0.0023474 k( 217) = ( 0.0000000 0.2444444 0.4094370), wk = 0.0023474 k( 218) = ( 0.0000000 0.2555556 0.4094370), wk = 0.0023474 k( 219) = ( 0.0000000 0.2666667 0.4094370), wk = 0.0023474 k( 220) = ( 0.0000000 0.2777778 0.4094370), wk = 0.0023474 k( 221) = ( 0.0000000 0.2888889 0.4094370), wk = 0.0023474 k( 222) = ( 0.0000000 0.3000000 0.4094370), wk = 0.0023474 k( 223) = ( 0.0000000 0.3111111 0.4094370), wk = 0.0023474 k( 224) = ( 0.0000000 0.3222222 0.4094370), wk = 0.0023474 k( 225) = ( 0.0000000 0.3333333 0.4094370), wk = 0.0023474 k( 226) = ( 0.0000000 0.3444444 0.4094370), wk = 0.0023474 k( 227) = ( 0.0000000 0.3555556 0.4094370), wk = 0.0023474 k( 228) = ( 0.0000000 0.3666667 0.4094370), wk = 0.0023474 k( 229) = ( 0.0000000 0.3777778 0.4094370), wk = 0.0023474 k( 230) = ( 0.0000000 0.3888889 0.4094370), wk = 0.0023474 k( 231) = ( 0.0000000 0.4000000 0.4094370), wk = 0.0023474 k( 232) = ( 0.0000000 0.4111111 0.4094370), wk = 0.0023474 k( 233) = ( 0.0000000 0.4222222 0.4094370), wk = 0.0023474 k( 234) = ( 0.0000000 0.4333333 0.4094370), wk = 0.0023474 k( 235) = ( 0.0000000 0.4444444 0.4094370), wk = 0.0023474 k( 236) = ( 0.0000000 0.4555556 0.4094370), wk = 0.0023474 k( 237) = ( 0.0000000 0.4666667 0.4094370), wk = 0.0023474 k( 238) = ( 0.0000000 0.4777778 0.4094370), wk = 0.0023474 k( 239) = ( 0.0000000 0.4888889 0.4094370), wk = 0.0023474 k( 240) = ( 0.0000000 0.5000000 0.4094370), wk = 0.0023474 k( 241) = ( 0.0000000 0.5000000 0.4094370), wk = 0.0023474 k( 242) = ( 0.0111111 0.5000000 0.4094370), wk = 0.0023474 k( 243) = ( 0.0222222 0.5000000 0.4094370), wk = 0.0023474 k( 244) = ( 0.0333333 0.5000000 0.4094370), wk = 0.0023474 k( 245) = ( 0.0444444 0.5000000 0.4094370), wk = 0.0023474 k( 246) = ( 0.0555556 0.5000000 0.4094370), wk = 0.0023474 k( 247) = ( 0.0666667 0.5000000 0.4094370), wk = 0.0023474 k( 248) = ( 0.0777778 0.5000000 0.4094370), wk = 0.0023474 k( 249) = ( 0.0888889 0.5000000 0.4094370), wk = 0.0023474 k( 250) = ( 0.1000000 0.5000000 0.4094370), wk = 0.0023474 k( 251) = ( 0.1111111 0.5000000 0.4094370), wk = 0.0023474 k( 252) = ( 0.1222222 0.5000000 0.4094370), wk = 0.0023474 k( 253) = ( 0.1333333 0.5000000 0.4094370), wk = 0.0023474 k( 254) = ( 0.1444444 0.5000000 0.4094370), wk = 0.0023474 k( 255) = ( 0.1555556 0.5000000 0.4094370), wk = 0.0023474 k( 256) = ( 0.1666667 0.5000000 0.4094370), wk = 0.0023474 k( 257) = ( 0.1777778 0.5000000 0.4094370), wk = 0.0023474 k( 258) = ( 0.1888889 0.5000000 0.4094370), wk = 0.0023474 k( 259) = ( 0.2000000 0.5000000 0.4094370), wk = 0.0023474 k( 260) = ( 0.2111111 0.5000000 0.4094370), wk = 0.0023474 k( 261) = ( 0.2222222 0.5000000 0.4094370), wk = 0.0023474 k( 262) = ( 0.2333333 0.5000000 0.4094370), wk = 0.0023474 k( 263) = ( 0.2444444 0.5000000 0.4094370), wk = 0.0023474 k( 264) = ( 0.2555556 0.5000000 0.4094370), wk = 0.0023474 k( 265) = ( 0.2666667 0.5000000 0.4094370), wk = 0.0023474 k( 266) = ( 0.2777778 0.5000000 0.4094370), wk = 0.0023474 k( 267) = ( 0.2888889 0.5000000 0.4094370), wk = 0.0023474 k( 268) = ( 0.3000000 0.5000000 0.4094370), wk = 0.0023474 k( 269) = ( 0.3111111 0.5000000 0.4094370), wk = 0.0023474 k( 270) = ( 0.3222222 0.5000000 0.4094370), wk = 0.0023474 k( 271) = ( 0.3333333 0.5000000 0.4094370), wk = 0.0023474 k( 272) = ( 0.3444444 0.5000000 0.4094370), wk = 0.0023474 k( 273) = ( 0.3555556 0.5000000 0.4094370), wk = 0.0023474 k( 274) = ( 0.3666667 0.5000000 0.4094370), wk = 0.0023474 k( 275) = ( 0.3777778 0.5000000 0.4094370), wk = 0.0023474 k( 276) = ( 0.3888889 0.5000000 0.4094370), wk = 0.0023474 k( 277) = ( 0.4000000 0.5000000 0.4094370), wk = 0.0023474 k( 278) = ( 0.4111111 0.5000000 0.4094370), wk = 0.0023474 k( 279) = ( 0.4222222 0.5000000 0.4094370), wk = 0.0023474 k( 280) = ( 0.4333333 0.5000000 0.4094370), wk = 0.0023474 k( 281) = ( 0.4444444 0.5000000 0.4094370), wk = 0.0023474 k( 282) = ( 0.4555556 0.5000000 0.4094370), wk = 0.0023474 k( 283) = ( 0.4666667 0.5000000 0.4094370), wk = 0.0023474 k( 284) = ( 0.4777778 0.5000000 0.4094370), wk = 0.0023474 k( 285) = ( 0.4888889 0.5000000 0.4094370), wk = 0.0023474 k( 286) = ( 0.5000000 0.5000000 0.4094370), wk = 0.0023474 k( 287) = ( 0.5000000 0.5000000 0.4094370), wk = 0.0023474 k( 288) = ( 0.4920635 0.4920635 0.4094370), wk = 0.0023474 k( 289) = ( 0.4841270 0.4841270 0.4094370), wk = 0.0023474 k( 290) = ( 0.4761905 0.4761905 0.4094370), wk = 0.0023474 k( 291) = ( 0.4682540 0.4682540 0.4094370), wk = 0.0023474 k( 292) = ( 0.4603175 0.4603175 0.4094370), wk = 0.0023474 k( 293) = ( 0.4523810 0.4523809 0.4094370), wk = 0.0023474 k( 294) = ( 0.4444444 0.4444444 0.4094370), wk = 0.0023474 k( 295) = ( 0.4365079 0.4365079 0.4094370), wk = 0.0023474 k( 296) = ( 0.4285714 0.4285714 0.4094370), wk = 0.0023474 k( 297) = ( 0.4206349 0.4206349 0.4094370), wk = 0.0023474 k( 298) = ( 0.4126984 0.4126984 0.4094370), wk = 0.0023474 k( 299) = ( 0.4047619 0.4047619 0.4094370), wk = 0.0023474 k( 300) = ( 0.3968254 0.3968254 0.4094370), wk = 0.0023474 k( 301) = ( 0.3888889 0.3888889 0.4094370), wk = 0.0023474 k( 302) = ( 0.3809524 0.3809524 0.4094370), wk = 0.0023474 k( 303) = ( 0.3730159 0.3730159 0.4094370), wk = 0.0023474 k( 304) = ( 0.3650794 0.3650794 0.4094370), wk = 0.0023474 k( 305) = ( 0.3571429 0.3571429 0.4094370), wk = 0.0023474 k( 306) = ( 0.3492063 0.3492063 0.4094370), wk = 0.0023474 k( 307) = ( 0.3412698 0.3412698 0.4094370), wk = 0.0023474 k( 308) = ( 0.3333333 0.3333333 0.4094370), wk = 0.0023474 k( 309) = ( 0.3253968 0.3253968 0.4094370), wk = 0.0023474 k( 310) = ( 0.3174603 0.3174603 0.4094370), wk = 0.0023474 k( 311) = ( 0.3095238 0.3095238 0.4094370), wk = 0.0023474 k( 312) = ( 0.3015873 0.3015873 0.4094370), wk = 0.0023474 k( 313) = ( 0.2936508 0.2936508 0.4094370), wk = 0.0023474 k( 314) = ( 0.2857143 0.2857143 0.4094370), wk = 0.0023474 k( 315) = ( 0.2777778 0.2777778 0.4094370), wk = 0.0023474 k( 316) = ( 0.2698413 0.2698413 0.4094370), wk = 0.0023474 k( 317) = ( 0.2619048 0.2619048 0.4094370), wk = 0.0023474 k( 318) = ( 0.2539683 0.2539683 0.4094370), wk = 0.0023474 k( 319) = ( 0.2460317 0.2460317 0.4094370), wk = 0.0023474 k( 320) = ( 0.2380952 0.2380952 0.4094370), wk = 0.0023474 k( 321) = ( 0.2301587 0.2301587 0.4094370), wk = 0.0023474 k( 322) = ( 0.2222222 0.2222222 0.4094370), wk = 0.0023474 k( 323) = ( 0.2142857 0.2142857 0.4094370), wk = 0.0023474 k( 324) = ( 0.2063492 0.2063492 0.4094370), wk = 0.0023474 k( 325) = ( 0.1984127 0.1984127 0.4094370), wk = 0.0023474 k( 326) = ( 0.1904762 0.1904762 0.4094370), wk = 0.0023474 k( 327) = ( 0.1825397 0.1825397 0.4094370), wk = 0.0023474 k( 328) = ( 0.1746032 0.1746032 0.4094370), wk = 0.0023474 k( 329) = ( 0.1666667 0.1666667 0.4094370), wk = 0.0023474 k( 330) = ( 0.1587302 0.1587302 0.4094370), wk = 0.0023474 k( 331) = ( 0.1507937 0.1507936 0.4094370), wk = 0.0023474 k( 332) = ( 0.1428571 0.1428571 0.4094370), wk = 0.0023474 k( 333) = ( 0.1349206 0.1349206 0.4094370), wk = 0.0023474 k( 334) = ( 0.1269841 0.1269841 0.4094370), wk = 0.0023474 k( 335) = ( 0.1190476 0.1190476 0.4094370), wk = 0.0023474 k( 336) = ( 0.1111111 0.1111111 0.4094370), wk = 0.0023474 k( 337) = ( 0.1031746 0.1031746 0.4094370), wk = 0.0023474 k( 338) = ( 0.0952381 0.0952381 0.4094370), wk = 0.0023474 k( 339) = ( 0.0873016 0.0873016 0.4094370), wk = 0.0023474 k( 340) = ( 0.0793651 0.0793651 0.4094370), wk = 0.0023474 k( 341) = ( 0.0714286 0.0714286 0.4094370), wk = 0.0023474 k( 342) = ( 0.0634921 0.0634921 0.4094370), wk = 0.0023474 k( 343) = ( 0.0555556 0.0555556 0.4094370), wk = 0.0023474 k( 344) = ( 0.0476191 0.0476190 0.4094370), wk = 0.0023474 k( 345) = ( 0.0396825 0.0396825 0.4094370), wk = 0.0023474 k( 346) = ( 0.0317460 0.0317460 0.4094370), wk = 0.0023474 k( 347) = ( 0.0238095 0.0238095 0.4094370), wk = 0.0023474 k( 348) = ( 0.0158730 0.0158730 0.4094370), wk = 0.0023474 k( 349) = ( 0.0079365 0.0079365 0.4094370), wk = 0.0023474 k( 350) = ( 0.0000000 0.0000000 0.4094370), wk = 0.0023474 k( 351) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0023474 k( 352) = ( 0.0000000 0.5000000 0.0110659), wk = 0.0023474 k( 353) = ( 0.0000000 0.5000000 0.0221317), wk = 0.0023474 k( 354) = ( 0.0000000 0.5000000 0.0331976), wk = 0.0023474 k( 355) = ( 0.0000000 0.5000000 0.0442635), wk = 0.0023474 k( 356) = ( 0.0000000 0.5000000 0.0553293), wk = 0.0023474 k( 357) = ( 0.0000000 0.5000000 0.0663952), wk = 0.0023474 k( 358) = ( 0.0000000 0.5000000 0.0774611), wk = 0.0023474 k( 359) = ( 0.0000000 0.5000000 0.0885269), wk = 0.0023474 k( 360) = ( 0.0000000 0.5000000 0.0995928), wk = 0.0023474 k( 361) = ( 0.0000000 0.5000000 0.1106587), wk = 0.0023474 k( 362) = ( 0.0000000 0.5000000 0.1217245), wk = 0.0023474 k( 363) = ( 0.0000000 0.5000000 0.1327904), wk = 0.0023474 k( 364) = ( 0.0000000 0.5000000 0.1438563), wk = 0.0023474 k( 365) = ( 0.0000000 0.5000000 0.1549221), wk = 0.0023474 k( 366) = ( 0.0000000 0.5000000 0.1659880), wk = 0.0023474 k( 367) = ( 0.0000000 0.5000000 0.1770538), wk = 0.0023474 k( 368) = ( 0.0000000 0.5000000 0.1881197), wk = 0.0023474 k( 369) = ( 0.0000000 0.5000000 0.1991856), wk = 0.0023474 k( 370) = ( 0.0000000 0.5000000 0.2102514), wk = 0.0023474 k( 371) = ( 0.0000000 0.5000000 0.2213173), wk = 0.0023474 k( 372) = ( 0.0000000 0.5000000 0.2323832), wk = 0.0023474 k( 373) = ( 0.0000000 0.5000000 0.2434490), wk = 0.0023474 k( 374) = ( 0.0000000 0.5000000 0.2545149), wk = 0.0023474 k( 375) = ( 0.0000000 0.5000000 0.2655808), wk = 0.0023474 k( 376) = ( 0.0000000 0.5000000 0.2766466), wk = 0.0023474 k( 377) = ( 0.0000000 0.5000000 0.2877125), wk = 0.0023474 k( 378) = ( 0.0000000 0.5000000 0.2987784), wk = 0.0023474 k( 379) = ( 0.0000000 0.5000000 0.3098442), wk = 0.0023474 k( 380) = ( 0.0000000 0.5000000 0.3209101), wk = 0.0023474 k( 381) = ( 0.0000000 0.5000000 0.3319760), wk = 0.0023474 k( 382) = ( 0.0000000 0.5000000 0.3430418), wk = 0.0023474 k( 383) = ( 0.0000000 0.5000000 0.3541077), wk = 0.0023474 k( 384) = ( 0.0000000 0.5000000 0.3651736), wk = 0.0023474 k( 385) = ( 0.0000000 0.5000000 0.3762394), wk = 0.0023474 k( 386) = ( 0.0000000 0.5000000 0.3873053), wk = 0.0023474 k( 387) = ( 0.0000000 0.5000000 0.3983711), wk = 0.0023474 k( 388) = ( 0.0000000 0.5000000 0.4094370), wk = 0.0023474 k( 389) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0023474 k( 390) = ( 0.5000000 0.5000000 0.0110659), wk = 0.0023474 k( 391) = ( 0.5000000 0.5000000 0.0221317), wk = 0.0023474 k( 392) = ( 0.5000000 0.5000000 0.0331976), wk = 0.0023474 k( 393) = ( 0.5000000 0.5000000 0.0442635), wk = 0.0023474 k( 394) = ( 0.5000000 0.5000000 0.0553293), wk = 0.0023474 k( 395) = ( 0.5000000 0.5000000 0.0663952), wk = 0.0023474 k( 396) = ( 0.5000000 0.5000000 0.0774611), wk = 0.0023474 k( 397) = ( 0.5000000 0.5000000 0.0885269), wk = 0.0023474 k( 398) = ( 0.5000000 0.5000000 0.0995928), wk = 0.0023474 k( 399) = ( 0.5000000 0.5000000 0.1106587), wk = 0.0023474 k( 400) = ( 0.5000000 0.5000000 0.1217245), wk = 0.0023474 k( 401) = ( 0.5000000 0.5000000 0.1327904), wk = 0.0023474 k( 402) = ( 0.5000000 0.5000000 0.1438563), wk = 0.0023474 k( 403) = ( 0.5000000 0.5000000 0.1549221), wk = 0.0023474 k( 404) = ( 0.5000000 0.5000000 0.1659880), wk = 0.0023474 k( 405) = ( 0.5000000 0.5000000 0.1770538), wk = 0.0023474 k( 406) = ( 0.5000000 0.5000000 0.1881197), wk = 0.0023474 k( 407) = ( 0.5000000 0.5000000 0.1991856), wk = 0.0023474 k( 408) = ( 0.5000000 0.5000000 0.2102514), wk = 0.0023474 k( 409) = ( 0.5000000 0.5000000 0.2213173), wk = 0.0023474 k( 410) = ( 0.5000000 0.5000000 0.2323832), wk = 0.0023474 k( 411) = ( 0.5000000 0.5000000 0.2434490), wk = 0.0023474 k( 412) = ( 0.5000000 0.5000000 0.2545149), wk = 0.0023474 k( 413) = ( 0.5000000 0.5000000 0.2655808), wk = 0.0023474 k( 414) = ( 0.5000000 0.5000000 0.2766466), wk = 0.0023474 k( 415) = ( 0.5000000 0.5000000 0.2877125), wk = 0.0023474 k( 416) = ( 0.5000000 0.5000000 0.2987784), wk = 0.0023474 k( 417) = ( 0.5000000 0.5000000 0.3098442), wk = 0.0023474 k( 418) = ( 0.5000000 0.5000000 0.3209101), wk = 0.0023474 k( 419) = ( 0.5000000 0.5000000 0.3319760), wk = 0.0023474 k( 420) = ( 0.5000000 0.5000000 0.3430418), wk = 0.0023474 k( 421) = ( 0.5000000 0.5000000 0.3541077), wk = 0.0023474 k( 422) = ( 0.5000000 0.5000000 0.3651736), wk = 0.0023474 k( 423) = ( 0.5000000 0.5000000 0.3762394), wk = 0.0023474 k( 424) = ( 0.5000000 0.5000000 0.3873053), wk = 0.0023474 k( 425) = ( 0.5000000 0.5000000 0.3983711), wk = 0.0023474 k( 426) = ( 0.5000000 0.5000000 0.4094370), wk = 0.0023474 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023474 k( 2) = ( 0.0000000 0.0111111 -0.0000000), wk = 0.0023474 k( 3) = ( 0.0000000 0.0222222 -0.0000000), wk = 0.0023474 k( 4) = ( 0.0000000 0.0333333 0.0000000), wk = 0.0023474 k( 5) = ( 0.0000000 0.0444444 -0.0000000), wk = 0.0023474 k( 6) = ( 0.0000000 0.0555556 -0.0000000), wk = 0.0023474 k( 7) = ( 0.0000000 0.0666667 -0.0000000), wk = 0.0023474 k( 8) = ( 0.0000000 0.0777778 0.0000000), wk = 0.0023474 k( 9) = ( 0.0000000 0.0888889 -0.0000000), wk = 0.0023474 k( 10) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0023474 k( 11) = ( 0.0000000 0.1111111 -0.0000000), wk = 0.0023474 k( 12) = ( 0.0000000 0.1222222 -0.0000000), wk = 0.0023474 k( 13) = ( 0.0000000 0.1333333 0.0000000), wk = 0.0023474 k( 14) = ( 0.0000000 0.1444444 0.0000000), wk = 0.0023474 k( 15) = ( 0.0000000 0.1555556 0.0000000), wk = 0.0023474 k( 16) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0023474 k( 17) = ( 0.0000000 0.1777778 -0.0000000), wk = 0.0023474 k( 18) = ( 0.0000000 0.1888889 -0.0000000), wk = 0.0023474 k( 19) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0023474 k( 20) = ( 0.0000000 0.2111111 0.0000000), wk = 0.0023474 k( 21) = ( 0.0000000 0.2222222 -0.0000000), wk = 0.0023474 k( 22) = ( 0.0000000 0.2333333 0.0000000), wk = 0.0023474 k( 23) = ( 0.0000000 0.2444444 -0.0000000), wk = 0.0023474 k( 24) = ( 0.0000000 0.2555556 0.0000000), wk = 0.0023474 k( 25) = ( 0.0000000 0.2666667 -0.0000000), wk = 0.0023474 k( 26) = ( 0.0000000 0.2777778 0.0000000), wk = 0.0023474 k( 27) = ( 0.0000000 0.2888889 0.0000000), wk = 0.0023474 k( 28) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0023474 k( 29) = ( 0.0000000 0.3111111 0.0000000), wk = 0.0023474 k( 30) = ( 0.0000000 0.3222222 -0.0000000), wk = 0.0023474 k( 31) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0023474 k( 32) = ( 0.0000000 0.3444444 0.0000000), wk = 0.0023474 k( 33) = ( 0.0000000 0.3555556 -0.0000000), wk = 0.0023474 k( 34) = ( 0.0000000 0.3666667 -0.0000000), wk = 0.0023474 k( 35) = ( 0.0000000 0.3777778 -0.0000000), wk = 0.0023474 k( 36) = ( 0.0000000 0.3888889 -0.0000000), wk = 0.0023474 k( 37) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0023474 k( 38) = ( 0.0000000 0.4111111 -0.0000000), wk = 0.0023474 k( 39) = ( 0.0000000 0.4222222 0.0000000), wk = 0.0023474 k( 40) = ( 0.0000000 0.4333333 -0.0000000), wk = 0.0023474 k( 41) = ( 0.0000000 0.4444444 -0.0000000), wk = 0.0023474 k( 42) = ( 0.0000000 0.4555556 -0.0000000), wk = 0.0023474 k( 43) = ( 0.0000000 0.4666667 -0.0000000), wk = 0.0023474 k( 44) = ( 0.0000000 0.4777778 -0.0000000), wk = 0.0023474 k( 45) = ( 0.0000000 0.4888889 -0.0000000), wk = 0.0023474 k( 46) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0023474 k( 47) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0023474 k( 48) = ( 0.0111111 0.5000000 -0.0000000), wk = 0.0023474 k( 49) = ( 0.0222222 0.5000000 -0.0000000), wk = 0.0023474 k( 50) = ( 0.0333333 0.5000000 0.0000000), wk = 0.0023474 k( 51) = ( 0.0444444 0.5000000 0.0000000), wk = 0.0023474 k( 52) = ( 0.0555556 0.5000000 -0.0000000), wk = 0.0023474 k( 53) = ( 0.0666667 0.5000000 -0.0000000), wk = 0.0023474 k( 54) = ( 0.0777778 0.5000000 -0.0000000), wk = 0.0023474 k( 55) = ( 0.0888889 0.5000000 -0.0000000), wk = 0.0023474 k( 56) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0023474 k( 57) = ( 0.1111111 0.5000000 -0.0000000), wk = 0.0023474 k( 58) = ( 0.1222222 0.5000000 -0.0000000), wk = 0.0023474 k( 59) = ( 0.1333333 0.5000000 -0.0000000), wk = 0.0023474 k( 60) = ( 0.1444444 0.5000000 -0.0000000), wk = 0.0023474 k( 61) = ( 0.1555556 0.5000000 -0.0000000), wk = 0.0023474 k( 62) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0023474 k( 63) = ( 0.1777778 0.5000000 0.0000000), wk = 0.0023474 k( 64) = ( 0.1888889 0.5000000 -0.0000000), wk = 0.0023474 k( 65) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0023474 k( 66) = ( 0.2111111 0.5000000 -0.0000000), wk = 0.0023474 k( 67) = ( 0.2222222 0.5000000 -0.0000000), wk = 0.0023474 k( 68) = ( 0.2333333 0.5000000 -0.0000000), wk = 0.0023474 k( 69) = ( 0.2444444 0.5000000 -0.0000000), wk = 0.0023474 k( 70) = ( 0.2555556 0.5000000 -0.0000000), wk = 0.0023474 k( 71) = ( 0.2666667 0.5000000 -0.0000000), wk = 0.0023474 k( 72) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0023474 k( 73) = ( 0.2888889 0.5000000 -0.0000000), wk = 0.0023474 k( 74) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0023474 k( 75) = ( 0.3111111 0.5000000 -0.0000000), wk = 0.0023474 k( 76) = ( 0.3222222 0.5000000 -0.0000000), wk = 0.0023474 k( 77) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0023474 k( 78) = ( 0.3444444 0.5000000 -0.0000000), wk = 0.0023474 k( 79) = ( 0.3555556 0.5000000 -0.0000000), wk = 0.0023474 k( 80) = ( 0.3666667 0.5000000 -0.0000000), wk = 0.0023474 k( 81) = ( 0.3777778 0.5000000 -0.0000000), wk = 0.0023474 k( 82) = ( 0.3888889 0.5000000 -0.0000000), wk = 0.0023474 k( 83) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0023474 k( 84) = ( 0.4111111 0.5000000 -0.0000000), wk = 0.0023474 k( 85) = ( 0.4222222 0.5000000 -0.0000000), wk = 0.0023474 k( 86) = ( 0.4333333 0.5000000 -0.0000000), wk = 0.0023474 k( 87) = ( 0.4444444 0.5000000 -0.0000000), wk = 0.0023474 k( 88) = ( 0.4555556 0.5000000 -0.0000000), wk = 0.0023474 k( 89) = ( 0.4666667 0.5000000 -0.0000000), wk = 0.0023474 k( 90) = ( 0.4777778 0.5000000 -0.0000000), wk = 0.0023474 k( 91) = ( 0.4888889 0.5000000 -0.0000000), wk = 0.0023474 k( 92) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0023474 k( 93) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0023474 k( 94) = ( 0.4920635 0.4920635 -0.0000000), wk = 0.0023474 k( 95) = ( 0.4841270 0.4841270 -0.0000000), wk = 0.0023474 k( 96) = ( 0.4761905 0.4761905 -0.0000000), wk = 0.0023474 k( 97) = ( 0.4682540 0.4682540 -0.0000000), wk = 0.0023474 k( 98) = ( 0.4603175 0.4603175 -0.0000000), wk = 0.0023474 k( 99) = ( 0.4523810 0.4523810 -0.0000000), wk = 0.0023474 k( 100) = ( 0.4444444 0.4444444 -0.0000000), wk = 0.0023474 k( 101) = ( 0.4365079 0.4365079 0.0000000), wk = 0.0023474 k( 102) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0023474 k( 103) = ( 0.4206349 0.4206349 -0.0000000), wk = 0.0023474 k( 104) = ( 0.4126984 0.4126984 -0.0000000), wk = 0.0023474 k( 105) = ( 0.4047619 0.4047619 -0.0000000), wk = 0.0023474 k( 106) = ( 0.3968254 0.3968254 -0.0000000), wk = 0.0023474 k( 107) = ( 0.3888889 0.3888889 -0.0000000), wk = 0.0023474 k( 108) = ( 0.3809524 0.3809524 -0.0000000), wk = 0.0023474 k( 109) = ( 0.3730159 0.3730159 -0.0000000), wk = 0.0023474 k( 110) = ( 0.3650794 0.3650794 -0.0000000), wk = 0.0023474 k( 111) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0023474 k( 112) = ( 0.3492063 0.3492063 -0.0000000), wk = 0.0023474 k( 113) = ( 0.3412698 0.3412698 -0.0000000), wk = 0.0023474 k( 114) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0023474 k( 115) = ( 0.3253968 0.3253968 0.0000000), wk = 0.0023474 k( 116) = ( 0.3174603 0.3174603 -0.0000000), wk = 0.0023474 k( 117) = ( 0.3095238 0.3095238 -0.0000000), wk = 0.0023474 k( 118) = ( 0.3015873 0.3015873 -0.0000000), wk = 0.0023474 k( 119) = ( 0.2936508 0.2936508 -0.0000000), wk = 0.0023474 k( 120) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0023474 k( 121) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0023474 k( 122) = ( 0.2698413 0.2698413 -0.0000000), wk = 0.0023474 k( 123) = ( 0.2619048 0.2619048 -0.0000000), wk = 0.0023474 k( 124) = ( 0.2539683 0.2539683 0.0000000), wk = 0.0023474 k( 125) = ( 0.2460317 0.2460317 -0.0000000), wk = 0.0023474 k( 126) = ( 0.2380952 0.2380952 -0.0000000), wk = 0.0023474 k( 127) = ( 0.2301587 0.2301587 -0.0000000), wk = 0.0023474 k( 128) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0023474 k( 129) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0023474 k( 130) = ( 0.2063492 0.2063492 -0.0000000), wk = 0.0023474 k( 131) = ( 0.1984127 0.1984127 -0.0000000), wk = 0.0023474 k( 132) = ( 0.1904762 0.1904762 -0.0000000), wk = 0.0023474 k( 133) = ( 0.1825397 0.1825397 -0.0000000), wk = 0.0023474 k( 134) = ( 0.1746032 0.1746032 -0.0000000), wk = 0.0023474 k( 135) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0023474 k( 136) = ( 0.1587302 0.1587302 -0.0000000), wk = 0.0023474 k( 137) = ( 0.1507937 0.1507937 -0.0000000), wk = 0.0023474 k( 138) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0023474 k( 139) = ( 0.1349206 0.1349206 -0.0000000), wk = 0.0023474 k( 140) = ( 0.1269841 0.1269841 -0.0000000), wk = 0.0023474 k( 141) = ( 0.1190476 0.1190476 -0.0000000), wk = 0.0023474 k( 142) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0023474 k( 143) = ( 0.1031746 0.1031746 -0.0000000), wk = 0.0023474 k( 144) = ( 0.0952381 0.0952381 -0.0000000), wk = 0.0023474 k( 145) = ( 0.0873016 0.0873016 -0.0000000), wk = 0.0023474 k( 146) = ( 0.0793651 0.0793651 -0.0000000), wk = 0.0023474 k( 147) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0023474 k( 148) = ( 0.0634921 0.0634921 0.0000000), wk = 0.0023474 k( 149) = ( 0.0555556 0.0555556 -0.0000000), wk = 0.0023474 k( 150) = ( 0.0476191 0.0476191 -0.0000000), wk = 0.0023474 k( 151) = ( 0.0396825 0.0396825 -0.0000000), wk = 0.0023474 k( 152) = ( 0.0317460 0.0317460 0.0000000), wk = 0.0023474 k( 153) = ( 0.0238095 0.0238095 -0.0000000), wk = 0.0023474 k( 154) = ( 0.0158730 0.0158730 -0.0000000), wk = 0.0023474 k( 155) = ( 0.0079365 0.0079365 -0.0000000), wk = 0.0023474 k( 156) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023474 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023474 k( 158) = ( 0.0000000 0.0000000 0.0135135), wk = 0.0023474 k( 159) = ( 0.0000000 0.0000000 0.0270270), wk = 0.0023474 k( 160) = ( 0.0000000 0.0000000 0.0405405), wk = 0.0023474 k( 161) = ( 0.0000000 0.0000000 0.0540540), wk = 0.0023474 k( 162) = ( 0.0000000 0.0000000 0.0675676), wk = 0.0023474 k( 163) = ( 0.0000000 0.0000000 0.0810811), wk = 0.0023474 k( 164) = ( 0.0000000 0.0000000 0.0945946), wk = 0.0023474 k( 165) = ( 0.0000000 0.0000000 0.1081081), wk = 0.0023474 k( 166) = ( 0.0000000 0.0000000 0.1216216), wk = 0.0023474 k( 167) = ( 0.0000000 0.0000000 0.1351351), wk = 0.0023474 k( 168) = ( 0.0000000 0.0000000 0.1486486), wk = 0.0023474 k( 169) = ( 0.0000000 0.0000000 0.1621622), wk = 0.0023474 k( 170) = ( 0.0000000 0.0000000 0.1756757), wk = 0.0023474 k( 171) = ( 0.0000000 0.0000000 0.1891892), wk = 0.0023474 k( 172) = ( 0.0000000 0.0000000 0.2027027), wk = 0.0023474 k( 173) = ( 0.0000000 0.0000000 0.2162162), wk = 0.0023474 k( 174) = ( 0.0000000 0.0000000 0.2297297), wk = 0.0023474 k( 175) = ( 0.0000000 0.0000000 0.2432432), wk = 0.0023474 k( 176) = ( 0.0000000 0.0000000 0.2567568), wk = 0.0023474 k( 177) = ( 0.0000000 0.0000000 0.2702703), wk = 0.0023474 k( 178) = ( 0.0000000 0.0000000 0.2837838), wk = 0.0023474 k( 179) = ( 0.0000000 0.0000000 0.2972973), wk = 0.0023474 k( 180) = ( 0.0000000 0.0000000 0.3108108), wk = 0.0023474 k( 181) = ( 0.0000000 0.0000000 0.3243243), wk = 0.0023474 k( 182) = ( 0.0000000 0.0000000 0.3378378), wk = 0.0023474 k( 183) = ( 0.0000000 0.0000000 0.3513514), wk = 0.0023474 k( 184) = ( 0.0000000 0.0000000 0.3648649), wk = 0.0023474 k( 185) = ( 0.0000000 0.0000000 0.3783784), wk = 0.0023474 k( 186) = ( 0.0000000 0.0000000 0.3918919), wk = 0.0023474 k( 187) = ( 0.0000000 0.0000000 0.4054054), wk = 0.0023474 k( 188) = ( 0.0000000 0.0000000 0.4189189), wk = 0.0023474 k( 189) = ( 0.0000000 0.0000000 0.4324324), wk = 0.0023474 k( 190) = ( 0.0000000 0.0000000 0.4459459), wk = 0.0023474 k( 191) = ( 0.0000000 0.0000000 0.4594595), wk = 0.0023474 k( 192) = ( 0.0000000 0.0000000 0.4729730), wk = 0.0023474 k( 193) = ( 0.0000000 0.0000000 0.4864865), wk = 0.0023474 k( 194) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023474 k( 195) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023474 k( 196) = ( 0.0000000 0.0111111 0.5000000), wk = 0.0023474 k( 197) = ( 0.0000000 0.0222222 0.5000000), wk = 0.0023474 k( 198) = ( 0.0000000 0.0333333 0.5000000), wk = 0.0023474 k( 199) = ( 0.0000000 0.0444444 0.5000000), wk = 0.0023474 k( 200) = ( 0.0000000 0.0555556 0.5000000), wk = 0.0023474 k( 201) = ( 0.0000000 0.0666667 0.5000000), wk = 0.0023474 k( 202) = ( 0.0000000 0.0777778 0.5000000), wk = 0.0023474 k( 203) = ( 0.0000000 0.0888889 0.5000000), wk = 0.0023474 k( 204) = ( 0.0000000 0.1000000 0.5000000), wk = 0.0023474 k( 205) = ( 0.0000000 0.1111111 0.5000000), wk = 0.0023474 k( 206) = ( 0.0000000 0.1222222 0.5000000), wk = 0.0023474 k( 207) = ( 0.0000000 0.1333333 0.5000000), wk = 0.0023474 k( 208) = ( 0.0000000 0.1444444 0.5000000), wk = 0.0023474 k( 209) = ( 0.0000000 0.1555556 0.5000000), wk = 0.0023474 k( 210) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0023474 k( 211) = ( 0.0000000 0.1777778 0.5000000), wk = 0.0023474 k( 212) = ( 0.0000000 0.1888889 0.5000000), wk = 0.0023474 k( 213) = ( 0.0000000 0.2000000 0.5000000), wk = 0.0023474 k( 214) = ( 0.0000000 0.2111111 0.5000000), wk = 0.0023474 k( 215) = ( 0.0000000 0.2222222 0.5000000), wk = 0.0023474 k( 216) = ( 0.0000000 0.2333333 0.5000000), wk = 0.0023474 k( 217) = ( 0.0000000 0.2444444 0.5000000), wk = 0.0023474 k( 218) = ( 0.0000000 0.2555556 0.5000000), wk = 0.0023474 k( 219) = ( 0.0000000 0.2666667 0.5000000), wk = 0.0023474 k( 220) = ( 0.0000000 0.2777778 0.5000000), wk = 0.0023474 k( 221) = ( 0.0000000 0.2888889 0.5000000), wk = 0.0023474 k( 222) = ( 0.0000000 0.3000000 0.5000000), wk = 0.0023474 k( 223) = ( 0.0000000 0.3111111 0.5000000), wk = 0.0023474 k( 224) = ( 0.0000000 0.3222222 0.5000000), wk = 0.0023474 k( 225) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0023474 k( 226) = ( 0.0000000 0.3444444 0.5000000), wk = 0.0023474 k( 227) = ( 0.0000000 0.3555556 0.5000000), wk = 0.0023474 k( 228) = ( 0.0000000 0.3666667 0.5000000), wk = 0.0023474 k( 229) = ( 0.0000000 0.3777778 0.5000000), wk = 0.0023474 k( 230) = ( 0.0000000 0.3888889 0.5000000), wk = 0.0023474 k( 231) = ( 0.0000000 0.4000000 0.5000000), wk = 0.0023474 k( 232) = ( 0.0000000 0.4111111 0.5000000), wk = 0.0023474 k( 233) = ( 0.0000000 0.4222222 0.5000000), wk = 0.0023474 k( 234) = ( 0.0000000 0.4333333 0.5000000), wk = 0.0023474 k( 235) = ( 0.0000000 0.4444444 0.5000000), wk = 0.0023474 k( 236) = ( 0.0000000 0.4555556 0.5000000), wk = 0.0023474 k( 237) = ( 0.0000000 0.4666667 0.5000000), wk = 0.0023474 k( 238) = ( 0.0000000 0.4777778 0.5000000), wk = 0.0023474 k( 239) = ( 0.0000000 0.4888889 0.5000000), wk = 0.0023474 k( 240) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023474 k( 241) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023474 k( 242) = ( 0.0111111 0.5000000 0.5000000), wk = 0.0023474 k( 243) = ( 0.0222222 0.5000000 0.5000000), wk = 0.0023474 k( 244) = ( 0.0333333 0.5000000 0.5000000), wk = 0.0023474 k( 245) = ( 0.0444444 0.5000000 0.5000000), wk = 0.0023474 k( 246) = ( 0.0555556 0.5000000 0.5000000), wk = 0.0023474 k( 247) = ( 0.0666667 0.5000000 0.5000000), wk = 0.0023474 k( 248) = ( 0.0777778 0.5000000 0.5000000), wk = 0.0023474 k( 249) = ( 0.0888889 0.5000000 0.5000000), wk = 0.0023474 k( 250) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0023474 k( 251) = ( 0.1111111 0.5000000 0.5000000), wk = 0.0023474 k( 252) = ( 0.1222222 0.5000000 0.5000000), wk = 0.0023474 k( 253) = ( 0.1333333 0.5000000 0.5000000), wk = 0.0023474 k( 254) = ( 0.1444444 0.5000000 0.5000000), wk = 0.0023474 k( 255) = ( 0.1555556 0.5000000 0.5000000), wk = 0.0023474 k( 256) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0023474 k( 257) = ( 0.1777778 0.5000000 0.5000000), wk = 0.0023474 k( 258) = ( 0.1888889 0.5000000 0.5000000), wk = 0.0023474 k( 259) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0023474 k( 260) = ( 0.2111111 0.5000000 0.5000000), wk = 0.0023474 k( 261) = ( 0.2222222 0.5000000 0.5000000), wk = 0.0023474 k( 262) = ( 0.2333333 0.5000000 0.5000000), wk = 0.0023474 k( 263) = ( 0.2444444 0.5000000 0.5000000), wk = 0.0023474 k( 264) = ( 0.2555556 0.5000000 0.5000000), wk = 0.0023474 k( 265) = ( 0.2666667 0.5000000 0.5000000), wk = 0.0023474 k( 266) = ( 0.2777778 0.5000000 0.5000000), wk = 0.0023474 k( 267) = ( 0.2888889 0.5000000 0.5000000), wk = 0.0023474 k( 268) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0023474 k( 269) = ( 0.3111111 0.5000000 0.5000000), wk = 0.0023474 k( 270) = ( 0.3222222 0.5000000 0.5000000), wk = 0.0023474 k( 271) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0023474 k( 272) = ( 0.3444444 0.5000000 0.5000000), wk = 0.0023474 k( 273) = ( 0.3555556 0.5000000 0.5000000), wk = 0.0023474 k( 274) = ( 0.3666667 0.5000000 0.5000000), wk = 0.0023474 k( 275) = ( 0.3777778 0.5000000 0.5000000), wk = 0.0023474 k( 276) = ( 0.3888889 0.5000000 0.5000000), wk = 0.0023474 k( 277) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0023474 k( 278) = ( 0.4111111 0.5000000 0.5000000), wk = 0.0023474 k( 279) = ( 0.4222222 0.5000000 0.5000000), wk = 0.0023474 k( 280) = ( 0.4333333 0.5000000 0.5000000), wk = 0.0023474 k( 281) = ( 0.4444444 0.5000000 0.5000000), wk = 0.0023474 k( 282) = ( 0.4555556 0.5000000 0.5000000), wk = 0.0023474 k( 283) = ( 0.4666667 0.5000000 0.5000000), wk = 0.0023474 k( 284) = ( 0.4777778 0.5000000 0.5000000), wk = 0.0023474 k( 285) = ( 0.4888889 0.5000000 0.5000000), wk = 0.0023474 k( 286) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023474 k( 287) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023474 k( 288) = ( 0.4920635 0.4920635 0.5000000), wk = 0.0023474 k( 289) = ( 0.4841270 0.4841270 0.5000000), wk = 0.0023474 k( 290) = ( 0.4761905 0.4761905 0.5000000), wk = 0.0023474 k( 291) = ( 0.4682540 0.4682540 0.5000000), wk = 0.0023474 k( 292) = ( 0.4603175 0.4603175 0.5000000), wk = 0.0023474 k( 293) = ( 0.4523810 0.4523810 0.5000000), wk = 0.0023474 k( 294) = ( 0.4444444 0.4444444 0.5000000), wk = 0.0023474 k( 295) = ( 0.4365079 0.4365079 0.5000000), wk = 0.0023474 k( 296) = ( 0.4285714 0.4285714 0.5000000), wk = 0.0023474 k( 297) = ( 0.4206349 0.4206349 0.5000000), wk = 0.0023474 k( 298) = ( 0.4126984 0.4126984 0.5000000), wk = 0.0023474 k( 299) = ( 0.4047619 0.4047619 0.5000000), wk = 0.0023474 k( 300) = ( 0.3968254 0.3968254 0.5000000), wk = 0.0023474 k( 301) = ( 0.3888889 0.3888889 0.5000000), wk = 0.0023474 k( 302) = ( 0.3809524 0.3809524 0.5000000), wk = 0.0023474 k( 303) = ( 0.3730159 0.3730159 0.5000000), wk = 0.0023474 k( 304) = ( 0.3650794 0.3650794 0.5000000), wk = 0.0023474 k( 305) = ( 0.3571429 0.3571429 0.5000000), wk = 0.0023474 k( 306) = ( 0.3492063 0.3492063 0.5000000), wk = 0.0023474 k( 307) = ( 0.3412698 0.3412698 0.5000000), wk = 0.0023474 k( 308) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0023474 k( 309) = ( 0.3253968 0.3253968 0.5000000), wk = 0.0023474 k( 310) = ( 0.3174603 0.3174603 0.5000000), wk = 0.0023474 k( 311) = ( 0.3095238 0.3095238 0.5000000), wk = 0.0023474 k( 312) = ( 0.3015873 0.3015873 0.5000000), wk = 0.0023474 k( 313) = ( 0.2936508 0.2936508 0.5000000), wk = 0.0023474 k( 314) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0023474 k( 315) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0023474 k( 316) = ( 0.2698413 0.2698413 0.5000000), wk = 0.0023474 k( 317) = ( 0.2619048 0.2619048 0.5000000), wk = 0.0023474 k( 318) = ( 0.2539683 0.2539683 0.5000000), wk = 0.0023474 k( 319) = ( 0.2460317 0.2460317 0.5000000), wk = 0.0023474 k( 320) = ( 0.2380952 0.2380952 0.5000000), wk = 0.0023474 k( 321) = ( 0.2301587 0.2301587 0.5000000), wk = 0.0023474 k( 322) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0023474 k( 323) = ( 0.2142857 0.2142857 0.5000000), wk = 0.0023474 k( 324) = ( 0.2063492 0.2063492 0.5000000), wk = 0.0023474 k( 325) = ( 0.1984127 0.1984127 0.5000000), wk = 0.0023474 k( 326) = ( 0.1904762 0.1904762 0.5000000), wk = 0.0023474 k( 327) = ( 0.1825397 0.1825397 0.5000000), wk = 0.0023474 k( 328) = ( 0.1746032 0.1746032 0.5000000), wk = 0.0023474 k( 329) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0023474 k( 330) = ( 0.1587302 0.1587302 0.5000000), wk = 0.0023474 k( 331) = ( 0.1507937 0.1507937 0.5000000), wk = 0.0023474 k( 332) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0023474 k( 333) = ( 0.1349206 0.1349206 0.5000000), wk = 0.0023474 k( 334) = ( 0.1269841 0.1269841 0.5000000), wk = 0.0023474 k( 335) = ( 0.1190476 0.1190476 0.5000000), wk = 0.0023474 k( 336) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0023474 k( 337) = ( 0.1031746 0.1031746 0.5000000), wk = 0.0023474 k( 338) = ( 0.0952381 0.0952381 0.5000000), wk = 0.0023474 k( 339) = ( 0.0873016 0.0873016 0.5000000), wk = 0.0023474 k( 340) = ( 0.0793651 0.0793651 0.5000000), wk = 0.0023474 k( 341) = ( 0.0714286 0.0714286 0.5000000), wk = 0.0023474 k( 342) = ( 0.0634921 0.0634921 0.5000000), wk = 0.0023474 k( 343) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0023474 k( 344) = ( 0.0476191 0.0476191 0.5000000), wk = 0.0023474 k( 345) = ( 0.0396825 0.0396825 0.5000000), wk = 0.0023474 k( 346) = ( 0.0317460 0.0317460 0.5000000), wk = 0.0023474 k( 347) = ( 0.0238095 0.0238095 0.5000000), wk = 0.0023474 k( 348) = ( 0.0158730 0.0158730 0.5000000), wk = 0.0023474 k( 349) = ( 0.0079365 0.0079365 0.5000000), wk = 0.0023474 k( 350) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023474 k( 351) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0023474 k( 352) = ( 0.0000000 0.5000000 0.0135135), wk = 0.0023474 k( 353) = ( 0.0000000 0.5000000 0.0270270), wk = 0.0023474 k( 354) = ( 0.0000000 0.5000000 0.0405405), wk = 0.0023474 k( 355) = ( 0.0000000 0.5000000 0.0540540), wk = 0.0023474 k( 356) = ( 0.0000000 0.5000000 0.0675676), wk = 0.0023474 k( 357) = ( 0.0000000 0.5000000 0.0810811), wk = 0.0023474 k( 358) = ( 0.0000000 0.5000000 0.0945946), wk = 0.0023474 k( 359) = ( 0.0000000 0.5000000 0.1081081), wk = 0.0023474 k( 360) = ( 0.0000000 0.5000000 0.1216216), wk = 0.0023474 k( 361) = ( 0.0000000 0.5000000 0.1351351), wk = 0.0023474 k( 362) = ( 0.0000000 0.5000000 0.1486486), wk = 0.0023474 k( 363) = ( 0.0000000 0.5000000 0.1621622), wk = 0.0023474 k( 364) = ( 0.0000000 0.5000000 0.1756757), wk = 0.0023474 k( 365) = ( 0.0000000 0.5000000 0.1891892), wk = 0.0023474 k( 366) = ( 0.0000000 0.5000000 0.2027027), wk = 0.0023474 k( 367) = ( 0.0000000 0.5000000 0.2162162), wk = 0.0023474 k( 368) = ( 0.0000000 0.5000000 0.2297297), wk = 0.0023474 k( 369) = ( 0.0000000 0.5000000 0.2432432), wk = 0.0023474 k( 370) = ( 0.0000000 0.5000000 0.2567568), wk = 0.0023474 k( 371) = ( 0.0000000 0.5000000 0.2702703), wk = 0.0023474 k( 372) = ( 0.0000000 0.5000000 0.2837838), wk = 0.0023474 k( 373) = ( 0.0000000 0.5000000 0.2972973), wk = 0.0023474 k( 374) = ( 0.0000000 0.5000000 0.3108108), wk = 0.0023474 k( 375) = ( 0.0000000 0.5000000 0.3243243), wk = 0.0023474 k( 376) = ( 0.0000000 0.5000000 0.3378378), wk = 0.0023474 k( 377) = ( 0.0000000 0.5000000 0.3513513), wk = 0.0023474 k( 378) = ( 0.0000000 0.5000000 0.3648649), wk = 0.0023474 k( 379) = ( 0.0000000 0.5000000 0.3783784), wk = 0.0023474 k( 380) = ( 0.0000000 0.5000000 0.3918919), wk = 0.0023474 k( 381) = ( 0.0000000 0.5000000 0.4054054), wk = 0.0023474 k( 382) = ( 0.0000000 0.5000000 0.4189189), wk = 0.0023474 k( 383) = ( 0.0000000 0.5000000 0.4324324), wk = 0.0023474 k( 384) = ( 0.0000000 0.5000000 0.4459459), wk = 0.0023474 k( 385) = ( 0.0000000 0.5000000 0.4594595), wk = 0.0023474 k( 386) = ( 0.0000000 0.5000000 0.4729730), wk = 0.0023474 k( 387) = ( 0.0000000 0.5000000 0.4864865), wk = 0.0023474 k( 388) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023474 k( 389) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0023474 k( 390) = ( 0.5000000 0.5000000 0.0135135), wk = 0.0023474 k( 391) = ( 0.5000000 0.5000000 0.0270270), wk = 0.0023474 k( 392) = ( 0.5000000 0.5000000 0.0405405), wk = 0.0023474 k( 393) = ( 0.5000000 0.5000000 0.0540540), wk = 0.0023474 k( 394) = ( 0.5000000 0.5000000 0.0675676), wk = 0.0023474 k( 395) = ( 0.5000000 0.5000000 0.0810811), wk = 0.0023474 k( 396) = ( 0.5000000 0.5000000 0.0945946), wk = 0.0023474 k( 397) = ( 0.5000000 0.5000000 0.1081081), wk = 0.0023474 k( 398) = ( 0.5000000 0.5000000 0.1216216), wk = 0.0023474 k( 399) = ( 0.5000000 0.5000000 0.1351351), wk = 0.0023474 k( 400) = ( 0.5000000 0.5000000 0.1486486), wk = 0.0023474 k( 401) = ( 0.5000000 0.5000000 0.1621622), wk = 0.0023474 k( 402) = ( 0.5000000 0.5000000 0.1756757), wk = 0.0023474 k( 403) = ( 0.5000000 0.5000000 0.1891892), wk = 0.0023474 k( 404) = ( 0.5000000 0.5000000 0.2027027), wk = 0.0023474 k( 405) = ( 0.5000000 0.5000000 0.2162162), wk = 0.0023474 k( 406) = ( 0.5000000 0.5000000 0.2297297), wk = 0.0023474 k( 407) = ( 0.5000000 0.5000000 0.2432432), wk = 0.0023474 k( 408) = ( 0.5000000 0.5000000 0.2567568), wk = 0.0023474 k( 409) = ( 0.5000000 0.5000000 0.2702703), wk = 0.0023474 k( 410) = ( 0.5000000 0.5000000 0.2837838), wk = 0.0023474 k( 411) = ( 0.5000000 0.5000000 0.2972973), wk = 0.0023474 k( 412) = ( 0.5000000 0.5000000 0.3108108), wk = 0.0023474 k( 413) = ( 0.5000000 0.5000000 0.3243243), wk = 0.0023474 k( 414) = ( 0.5000000 0.5000000 0.3378378), wk = 0.0023474 k( 415) = ( 0.5000000 0.5000000 0.3513513), wk = 0.0023474 k( 416) = ( 0.5000000 0.5000000 0.3648649), wk = 0.0023474 k( 417) = ( 0.5000000 0.5000000 0.3783784), wk = 0.0023474 k( 418) = ( 0.5000000 0.5000000 0.3918919), wk = 0.0023474 k( 419) = ( 0.5000000 0.5000000 0.4054054), wk = 0.0023474 k( 420) = ( 0.5000000 0.5000000 0.4189189), wk = 0.0023474 k( 421) = ( 0.5000000 0.5000000 0.4324324), wk = 0.0023474 k( 422) = ( 0.5000000 0.5000000 0.4459459), wk = 0.0023474 k( 423) = ( 0.5000000 0.5000000 0.4594595), wk = 0.0023474 k( 424) = ( 0.5000000 0.5000000 0.4729730), wk = 0.0023474 k( 425) = ( 0.5000000 0.5000000 0.4864865), wk = 0.0023474 k( 426) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023474 Dense grid: 52141 G-vectors FFT dimensions: ( 45, 45, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.14 Mb ( 364, 26) NL pseudopotentials 0.16 Mb ( 182, 56) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1450) G-vector shells 0.01 Mb ( 698) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.58 Mb ( 364, 104) Each subspace H/S matrix 0.01 Mb ( 26, 26) Each matrix 0.04 Mb ( 56, 2, 26) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./Li2O2.save/charge-density.dat Starting wfc are 36 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.8 secs Computing kpt #: 2 total cpu time spent up to now is 2.2 secs Computing kpt #: 3 total cpu time spent up to now is 2.7 secs Computing kpt #: 4 total cpu time spent up to now is 3.2 secs Computing kpt #: 5 total cpu time spent up to now is 3.6 secs Computing kpt #: 6 total cpu time spent up to now is 3.9 secs Computing kpt #: 7 total cpu time spent up to now is 4.3 secs Computing kpt #: 8 total cpu time spent up to now is 4.7 secs Computing kpt #: 9 total cpu time spent up to now is 4.9 secs Computing kpt #: 10 total cpu time spent up to now is 5.2 secs Computing kpt #: 11 total cpu time spent up to now is 5.4 secs Computing kpt #: 12 total cpu time spent up to now is 5.7 secs Computing kpt #: 13 total cpu time spent up to now is 5.9 secs Computing kpt #: 14 total cpu time spent up to now is 6.1 secs Computing kpt #: 15 total cpu time spent up to now is 6.4 secs Computing kpt #: 16 total cpu time spent up to now is 6.6 secs Computing kpt #: 17 total cpu time spent up to now is 6.8 secs Computing kpt #: 18 total cpu time spent up to now is 7.0 secs Computing kpt #: 19 total cpu time spent up to now is 7.2 secs Computing kpt #: 20 total cpu time spent up to now is 7.4 secs Computing kpt #: 21 total cpu time spent up to now is 7.6 secs Computing kpt #: 22 total cpu time spent up to now is 7.8 secs Computing kpt #: 23 total cpu time spent up to now is 8.0 secs Computing kpt #: 24 total cpu time spent up to now is 8.2 secs Computing kpt #: 25 total cpu time spent up to now is 8.4 secs Computing kpt #: 26 total cpu time spent up to now is 8.6 secs Computing kpt #: 27 total cpu time spent up to now is 8.8 secs Computing kpt #: 28 total cpu time spent up to now is 9.0 secs Computing kpt #: 29 total cpu time spent up to now is 9.2 secs Computing kpt #: 30 total cpu time spent up to now is 9.4 secs Computing kpt #: 31 total cpu time spent up to now is 9.6 secs Computing kpt #: 32 total cpu time spent up to now is 9.8 secs Computing kpt #: 33 total cpu time spent up to now is 10.0 secs Computing kpt #: 34 total cpu time spent up to now is 10.2 secs Computing kpt #: 35 total cpu time spent up to now is 10.4 secs Computing kpt #: 36 total cpu time spent up to now is 10.5 secs Computing kpt #: 37 total cpu time spent up to now is 10.7 secs Computing kpt #: 38 total cpu time spent up to now is 10.9 secs Computing kpt #: 39 total cpu time spent up to now is 11.1 secs Computing kpt #: 40 total cpu time spent up to now is 11.4 secs Computing kpt #: 41 total cpu time spent up to now is 11.6 secs Computing kpt #: 42 total cpu time spent up to now is 11.8 secs Computing kpt #: 43 total cpu time spent up to now is 12.0 secs Computing kpt #: 44 total cpu time spent up to now is 12.2 secs Computing kpt #: 45 total cpu time spent up to now is 12.4 secs Computing kpt #: 46 total cpu time spent up to now is 12.6 secs Computing kpt #: 47 total cpu time spent up to now is 12.8 secs Computing kpt #: 48 total cpu time spent up to now is 13.0 secs Computing kpt #: 49 total cpu time spent up to now is 13.2 secs Computing kpt #: 50 total cpu time spent up to now is 13.4 secs Computing kpt #: 51 total cpu time spent up to now is 13.6 secs Computing kpt #: 52 total cpu time spent up to now is 13.9 secs Computing kpt #: 53 total cpu time spent up to now is 14.2 secs Computing kpt #: 54 total cpu time spent up to now is 14.5 secs Computing kpt #: 55 total cpu time spent up to now is 14.8 secs Computing kpt #: 56 total cpu time spent up to now is 15.1 secs Computing kpt #: 57 total cpu time spent up to now is 15.3 secs Computing kpt #: 58 total cpu time spent up to now is 15.6 secs Computing kpt #: 59 total cpu time spent up to now is 15.9 secs Computing kpt #: 60 total cpu time spent up to now is 16.2 secs Computing kpt #: 61 total cpu time spent up to now is 16.5 secs Computing kpt #: 62 total cpu time spent up to now is 16.8 secs Computing kpt #: 63 total cpu time spent up to now is 17.1 secs Computing kpt #: 64 total cpu time spent up to now is 17.4 secs Computing kpt #: 65 total cpu time spent up to now is 17.7 secs Computing kpt #: 66 total cpu time spent up to now is 18.0 secs Computing kpt #: 67 total cpu time spent up to now is 18.3 secs Computing kpt #: 68 total cpu time spent up to now is 18.6 secs Computing kpt #: 69 total cpu time spent up to now is 18.9 secs Computing kpt #: 70 total cpu time spent up to now is 19.2 secs Computing kpt #: 71 total cpu time spent up to now is 19.5 secs Computing kpt #: 72 total cpu time spent up to now is 19.8 secs Computing kpt #: 73 total cpu time spent up to now is 20.1 secs Computing kpt #: 74 total cpu time spent up to now is 20.4 secs Computing kpt #: 75 total cpu time spent up to now is 20.7 secs Computing kpt #: 76 total cpu time spent up to now is 21.0 secs Computing kpt #: 77 total cpu time spent up to now is 21.3 secs Computing kpt #: 78 total cpu time spent up to now is 21.5 secs Computing kpt #: 79 total cpu time spent up to now is 21.8 secs Computing kpt #: 80 total cpu time spent up to now is 22.1 secs Computing kpt #: 81 total cpu time spent up to now is 22.4 secs Computing kpt #: 82 total cpu time spent up to now is 22.6 secs Computing kpt #: 83 total cpu time spent up to now is 22.9 secs Computing kpt #: 84 total cpu time spent up to now is 23.2 secs Computing kpt #: 85 total cpu time spent up to now is 23.5 secs Computing kpt #: 86 total cpu time spent up to now is 23.7 secs Computing kpt #: 87 total cpu time spent up to now is 24.0 secs Computing kpt #: 88 total cpu time spent up to now is 24.3 secs Computing kpt #: 89 total cpu time spent up to now is 24.5 secs Computing kpt #: 90 total cpu time spent up to now is 24.7 secs Computing kpt #: 91 total cpu time spent up to now is 24.9 secs Computing kpt #: 92 total cpu time spent up to now is 25.1 secs Computing kpt #: 93 total cpu time spent up to now is 25.3 secs Computing kpt #: 94 total cpu time spent up to now is 25.5 secs Computing kpt #: 95 total cpu time spent up to now is 25.7 secs Computing kpt #: 96 total cpu time spent up to now is 26.0 secs Computing kpt #: 97 total cpu time spent up to now is 26.2 secs Computing kpt #: 98 total cpu time spent up to now is 26.5 secs Computing kpt #: 99 total cpu time spent up to now is 26.7 secs Computing kpt #: 100 total cpu time spent up to now is 26.9 secs Computing kpt #: 101 total cpu time spent up to now is 27.2 secs Computing kpt #: 102 total cpu time spent up to now is 27.4 secs Computing kpt #: 103 total cpu time spent up to now is 27.6 secs Computing kpt #: 104 total cpu time spent up to now is 27.8 secs Computing kpt #: 105 total cpu time spent up to now is 28.1 secs Computing kpt #: 106 total cpu time spent up to now is 28.3 secs Computing kpt #: 107 total cpu time spent up to now is 28.5 secs Computing kpt #: 108 total cpu time spent up to now is 28.7 secs Computing kpt #: 109 total cpu time spent up to now is 28.9 secs Computing kpt #: 110 total cpu time spent up to now is 29.2 secs Computing kpt #: 111 total cpu time spent up to now is 29.4 secs Computing kpt #: 112 total cpu time spent up to now is 29.6 secs Computing kpt #: 113 total cpu time spent up to now is 29.8 secs Computing kpt #: 114 total cpu time spent up to now is 30.0 secs Computing kpt #: 115 total cpu time spent up to now is 30.3 secs Computing kpt #: 116 total cpu time spent up to now is 30.5 secs Computing kpt #: 117 total cpu time spent up to now is 30.8 secs Computing kpt #: 118 total cpu time spent up to now is 31.1 secs Computing kpt #: 119 total cpu time spent up to now is 31.3 secs Computing kpt #: 120 total cpu time spent up to now is 31.6 secs Computing kpt #: 121 total cpu time spent up to now is 31.9 secs Computing kpt #: 122 total cpu time spent up to now is 32.1 secs Computing kpt #: 123 total cpu time spent up to now is 32.5 secs Computing kpt #: 124 total cpu time spent up to now is 32.8 secs Computing kpt #: 125 total cpu time spent up to now is 33.0 secs Computing kpt #: 126 total cpu time spent up to now is 33.3 secs Computing kpt #: 127 total cpu time spent up to now is 33.5 secs Computing kpt #: 128 total cpu time spent up to now is 33.8 secs Computing kpt #: 129 total cpu time spent up to now is 34.1 secs Computing kpt #: 130 total cpu time spent up to now is 34.3 secs Computing kpt #: 131 total cpu time spent up to now is 34.5 secs Computing kpt #: 132 total cpu time spent up to now is 34.7 secs Computing kpt #: 133 total cpu time spent up to now is 34.9 secs Computing kpt #: 134 total cpu time spent up to now is 35.1 secs Computing kpt #: 135 total cpu time spent up to now is 35.4 secs Computing kpt #: 136 total cpu time spent up to now is 35.6 secs Computing kpt #: 137 total cpu time spent up to now is 35.9 secs Computing kpt #: 138 total cpu time spent up to now is 36.1 secs Computing kpt #: 139 total cpu time spent up to now is 36.3 secs Computing kpt #: 140 total cpu time spent up to now is 36.6 secs Computing kpt #: 141 total cpu time spent up to now is 36.8 secs Computing kpt #: 142 total cpu time spent up to now is 37.1 secs Computing kpt #: 143 total cpu time spent up to now is 37.4 secs Computing kpt #: 144 total cpu time spent up to now is 37.7 secs Computing kpt #: 145 total cpu time spent up to now is 38.0 secs Computing kpt #: 146 total cpu time spent up to now is 38.3 secs Computing kpt #: 147 total cpu time spent up to now is 38.6 secs Computing kpt #: 148 total cpu time spent up to now is 39.0 secs Computing kpt #: 149 total cpu time spent up to now is 39.4 secs Computing kpt #: 150 total cpu time spent up to now is 39.8 secs Computing kpt #: 151 total cpu time spent up to now is 40.2 secs Computing kpt #: 152 total cpu time spent up to now is 40.7 secs Computing kpt #: 153 total cpu time spent up to now is 41.3 secs Computing kpt #: 154 total cpu time spent up to now is 41.8 secs Computing kpt #: 155 total cpu time spent up to now is 42.3 secs Computing kpt #: 156 total cpu time spent up to now is 42.8 secs Computing kpt #: 157 total cpu time spent up to now is 43.3 secs Computing kpt #: 158 total cpu time spent up to now is 43.8 secs Computing kpt #: 159 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 44.5 secs Computing kpt #: 160 total cpu time spent up to now is 45.0 secs Computing kpt #: 161 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 45.7 secs Computing kpt #: 162 total cpu time spent up to now is 46.3 secs Computing kpt #: 163 total cpu time spent up to now is 46.8 secs Computing kpt #: 164 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 47.5 secs Computing kpt #: 165 total cpu time spent up to now is 47.9 secs Computing kpt #: 166 total cpu time spent up to now is 48.2 secs Computing kpt #: 167 total cpu time spent up to now is 48.6 secs Computing kpt #: 168 total cpu time spent up to now is 49.1 secs Computing kpt #: 169 total cpu time spent up to now is 49.4 secs Computing kpt #: 170 total cpu time spent up to now is 49.8 secs Computing kpt #: 171 total cpu time spent up to now is 50.1 secs Computing kpt #: 172 total cpu time spent up to now is 50.4 secs Computing kpt #: 173 total cpu time spent up to now is 50.7 secs Computing kpt #: 174 total cpu time spent up to now is 51.1 secs Computing kpt #: 175 total cpu time spent up to now is 51.4 secs Computing kpt #: 176 total cpu time spent up to now is 51.7 secs Computing kpt #: 177 total cpu time spent up to now is 52.0 secs Computing kpt #: 178 total cpu time spent up to now is 52.3 secs Computing kpt #: 179 total cpu time spent up to now is 52.6 secs Computing kpt #: 180 total cpu time spent up to now is 52.9 secs Computing kpt #: 181 total cpu time spent up to now is 53.2 secs Computing kpt #: 182 total cpu time spent up to now is 53.5 secs Computing kpt #: 183 total cpu time spent up to now is 53.8 secs Computing kpt #: 184 total cpu time spent up to now is 54.1 secs Computing kpt #: 185 total cpu time spent up to now is 54.4 secs Computing kpt #: 186 total cpu time spent up to now is 54.7 secs Computing kpt #: 187 total cpu time spent up to now is 55.0 secs Computing kpt #: 188 total cpu time spent up to now is 55.3 secs Computing kpt #: 189 total cpu time spent up to now is 55.6 secs Computing kpt #: 190 total cpu time spent up to now is 55.9 secs Computing kpt #: 191 total cpu time spent up to now is 56.2 secs Computing kpt #: 192 total cpu time spent up to now is 56.5 secs Computing kpt #: 193 total cpu time spent up to now is 56.8 secs Computing kpt #: 194 total cpu time spent up to now is 57.1 secs Computing kpt #: 195 total cpu time spent up to now is 57.4 secs Computing kpt #: 196 total cpu time spent up to now is 57.7 secs Computing kpt #: 197 total cpu time spent up to now is 58.0 secs Computing kpt #: 198 total cpu time spent up to now is 58.3 secs Computing kpt #: 199 total cpu time spent up to now is 58.6 secs Computing kpt #: 200 total cpu time spent up to now is 58.9 secs Computing kpt #: 201 total cpu time spent up to now is 59.2 secs Computing kpt #: 202 total cpu time spent up to now is 59.5 secs Computing kpt #: 203 total cpu time spent up to now is 59.8 secs Computing kpt #: 204 total cpu time spent up to now is 60.1 secs Computing kpt #: 205 total cpu time spent up to now is 60.4 secs Computing kpt #: 206 total cpu time spent up to now is 60.7 secs Computing kpt #: 207 total cpu time spent up to now is 60.9 secs Computing kpt #: 208 total cpu time spent up to now is 61.2 secs Computing kpt #: 209 total cpu time spent up to now is 61.5 secs Computing kpt #: 210 total cpu time spent up to now is 61.7 secs Computing kpt #: 211 total cpu time spent up to now is 62.0 secs Computing kpt #: 212 total cpu time spent up to now is 62.3 secs Computing kpt #: 213 total cpu time spent up to now is 62.5 secs Computing kpt #: 214 total cpu time spent up to now is 62.8 secs Computing kpt #: 215 total cpu time spent up to now is 63.0 secs Computing kpt #: 216 total cpu time spent up to now is 63.3 secs Computing kpt #: 217 total cpu time spent up to now is 63.5 secs Computing kpt #: 218 total cpu time spent up to now is 63.8 secs Computing kpt #: 219 total cpu time spent up to now is 64.0 secs Computing kpt #: 220 total cpu time spent up to now is 64.2 secs Computing kpt #: 221 total cpu time spent up to now is 64.4 secs Computing kpt #: 222 total cpu time spent up to now is 64.7 secs Computing kpt #: 223 total cpu time spent up to now is 64.9 secs Computing kpt #: 224 total cpu time spent up to now is 65.1 secs Computing kpt #: 225 total cpu time spent up to now is 65.4 secs Computing kpt #: 226 total cpu time spent up to now is 65.6 secs Computing kpt #: 227 total cpu time spent up to now is 65.8 secs Computing kpt #: 228 total cpu time spent up to now is 66.1 secs Computing kpt #: 229 total cpu time spent up to now is 66.3 secs Computing kpt #: 230 total cpu time spent up to now is 66.5 secs Computing kpt #: 231 total cpu time spent up to now is 66.7 secs Computing kpt #: 232 total cpu time spent up to now is 67.0 secs Computing kpt #: 233 total cpu time spent up to now is 67.2 secs Computing kpt #: 234 total cpu time spent up to now is 67.4 secs Computing kpt #: 235 total cpu time spent up to now is 67.6 secs Computing kpt #: 236 total cpu time spent up to now is 67.8 secs Computing kpt #: 237 total cpu time spent up to now is 68.0 secs Computing kpt #: 238 total cpu time spent up to now is 68.2 secs Computing kpt #: 239 total cpu time spent up to now is 68.5 secs Computing kpt #: 240 total cpu time spent up to now is 68.7 secs Computing kpt #: 241 total cpu time spent up to now is 68.9 secs Computing kpt #: 242 total cpu time spent up to now is 69.1 secs Computing kpt #: 243 total cpu time spent up to now is 69.3 secs Computing kpt #: 244 total cpu time spent up to now is 69.5 secs Computing kpt #: 245 total cpu time spent up to now is 69.7 secs Computing kpt #: 246 total cpu time spent up to now is 70.0 secs Computing kpt #: 247 total cpu time spent up to now is 70.2 secs Computing kpt #: 248 total cpu time spent up to now is 70.4 secs Computing kpt #: 249 total cpu time spent up to now is 70.6 secs Computing kpt #: 250 total cpu time spent up to now is 70.8 secs Computing kpt #: 251 total cpu time spent up to now is 71.1 secs Computing kpt #: 252 total cpu time spent up to now is 71.3 secs Computing kpt #: 253 total cpu time spent up to now is 71.5 secs Computing kpt #: 254 total cpu time spent up to now is 71.7 secs Computing kpt #: 255 total cpu time spent up to now is 71.9 secs Computing kpt #: 256 total cpu time spent up to now is 72.2 secs Computing kpt #: 257 total cpu time spent up to now is 72.4 secs Computing kpt #: 258 total cpu time spent up to now is 72.7 secs Computing kpt #: 259 total cpu time spent up to now is 72.9 secs Computing kpt #: 260 total cpu time spent up to now is 73.2 secs Computing kpt #: 261 total cpu time spent up to now is 73.4 secs Computing kpt #: 262 total cpu time spent up to now is 73.7 secs Computing kpt #: 263 total cpu time spent up to now is 73.9 secs Computing kpt #: 264 total cpu time spent up to now is 74.2 secs Computing kpt #: 265 total cpu time spent up to now is 74.4 secs Computing kpt #: 266 total cpu time spent up to now is 74.6 secs Computing kpt #: 267 total cpu time spent up to now is 74.9 secs Computing kpt #: 268 total cpu time spent up to now is 75.2 secs Computing kpt #: 269 total cpu time spent up to now is 75.4 secs Computing kpt #: 270 total cpu time spent up to now is 75.6 secs Computing kpt #: 271 total cpu time spent up to now is 75.9 secs Computing kpt #: 272 total cpu time spent up to now is 76.1 secs Computing kpt #: 273 total cpu time spent up to now is 76.3 secs Computing kpt #: 274 total cpu time spent up to now is 76.5 secs Computing kpt #: 275 total cpu time spent up to now is 76.8 secs Computing kpt #: 276 total cpu time spent up to now is 77.0 secs Computing kpt #: 277 total cpu time spent up to now is 77.2 secs Computing kpt #: 278 total cpu time spent up to now is 77.4 secs Computing kpt #: 279 total cpu time spent up to now is 77.6 secs Computing kpt #: 280 total cpu time spent up to now is 77.9 secs Computing kpt #: 281 total cpu time spent up to now is 78.1 secs Computing kpt #: 282 total cpu time spent up to now is 78.3 secs Computing kpt #: 283 total cpu time spent up to now is 78.5 secs Computing kpt #: 284 total cpu time spent up to now is 78.7 secs Computing kpt #: 285 total cpu time spent up to now is 78.9 secs Computing kpt #: 286 total cpu time spent up to now is 79.1 secs Computing kpt #: 287 total cpu time spent up to now is 79.3 secs Computing kpt #: 288 total cpu time spent up to now is 79.6 secs Computing kpt #: 289 total cpu time spent up to now is 79.8 secs Computing kpt #: 290 total cpu time spent up to now is 80.0 secs Computing kpt #: 291 total cpu time spent up to now is 80.3 secs Computing kpt #: 292 total cpu time spent up to now is 80.5 secs Computing kpt #: 293 total cpu time spent up to now is 80.7 secs Computing kpt #: 294 total cpu time spent up to now is 80.9 secs Computing kpt #: 295 total cpu time spent up to now is 81.1 secs Computing kpt #: 296 total cpu time spent up to now is 81.3 secs Computing kpt #: 297 total cpu time spent up to now is 81.6 secs Computing kpt #: 298 total cpu time spent up to now is 81.8 secs Computing kpt #: 299 total cpu time spent up to now is 82.0 secs Computing kpt #: 300 total cpu time spent up to now is 82.2 secs Computing kpt #: 301 total cpu time spent up to now is 82.4 secs Computing kpt #: 302 total cpu time spent up to now is 82.6 secs Computing kpt #: 303 total cpu time spent up to now is 82.8 secs Computing kpt #: 304 total cpu time spent up to now is 83.0 secs Computing kpt #: 305 total cpu time spent up to now is 83.2 secs Computing kpt #: 306 total cpu time spent up to now is 83.4 secs Computing kpt #: 307 total cpu time spent up to now is 83.6 secs Computing kpt #: 308 total cpu time spent up to now is 83.8 secs Computing kpt #: 309 total cpu time spent up to now is 84.0 secs Computing kpt #: 310 total cpu time spent up to now is 84.2 secs Computing kpt #: 311 total cpu time spent up to now is 84.4 secs Computing kpt #: 312 total cpu time spent up to now is 84.6 secs Computing kpt #: 313 total cpu time spent up to now is 84.8 secs Computing kpt #: 314 total cpu time spent up to now is 85.0 secs Computing kpt #: 315 total cpu time spent up to now is 85.2 secs Computing kpt #: 316 total cpu time spent up to now is 85.4 secs Computing kpt #: 317 total cpu time spent up to now is 85.6 secs Computing kpt #: 318 total cpu time spent up to now is 85.8 secs Computing kpt #: 319 total cpu time spent up to now is 86.0 secs Computing kpt #: 320 total cpu time spent up to now is 86.2 secs Computing kpt #: 321 total cpu time spent up to now is 86.5 secs Computing kpt #: 322 total cpu time spent up to now is 86.7 secs Computing kpt #: 323 total cpu time spent up to now is 87.0 secs Computing kpt #: 324 total cpu time spent up to now is 87.2 secs Computing kpt #: 325 total cpu time spent up to now is 87.5 secs Computing kpt #: 326 total cpu time spent up to now is 87.8 secs Computing kpt #: 327 total cpu time spent up to now is 88.0 secs Computing kpt #: 328 total cpu time spent up to now is 88.3 secs Computing kpt #: 329 total cpu time spent up to now is 88.5 secs Computing kpt #: 330 total cpu time spent up to now is 88.8 secs Computing kpt #: 331 total cpu time spent up to now is 89.0 secs Computing kpt #: 332 total cpu time spent up to now is 89.3 secs Computing kpt #: 333 total cpu time spent up to now is 89.6 secs Computing kpt #: 334 total cpu time spent up to now is 89.8 secs Computing kpt #: 335 total cpu time spent up to now is 90.1 secs Computing kpt #: 336 total cpu time spent up to now is 90.4 secs Computing kpt #: 337 total cpu time spent up to now is 90.7 secs Computing kpt #: 338 total cpu time spent up to now is 91.0 secs Computing kpt #: 339 total cpu time spent up to now is 91.3 secs Computing kpt #: 340 total cpu time spent up to now is 91.6 secs Computing kpt #: 341 total cpu time spent up to now is 91.9 secs Computing kpt #: 342 total cpu time spent up to now is 92.2 secs Computing kpt #: 343 total cpu time spent up to now is 92.5 secs Computing kpt #: 344 total cpu time spent up to now is 92.8 secs Computing kpt #: 345 total cpu time spent up to now is 93.1 secs Computing kpt #: 346 total cpu time spent up to now is 93.4 secs Computing kpt #: 347 total cpu time spent up to now is 93.7 secs Computing kpt #: 348 total cpu time spent up to now is 94.0 secs Computing kpt #: 349 total cpu time spent up to now is 94.3 secs Computing kpt #: 350 total cpu time spent up to now is 94.6 secs Computing kpt #: 351 total cpu time spent up to now is 94.8 secs Computing kpt #: 352 total cpu time spent up to now is 95.0 secs Computing kpt #: 353 total cpu time spent up to now is 95.2 secs Computing kpt #: 354 total cpu time spent up to now is 95.4 secs Computing kpt #: 355 total cpu time spent up to now is 95.6 secs Computing kpt #: 356 total cpu time spent up to now is 95.8 secs Computing kpt #: 357 total cpu time spent up to now is 96.0 secs Computing kpt #: 358 total cpu time spent up to now is 96.2 secs Computing kpt #: 359 total cpu time spent up to now is 96.4 secs Computing kpt #: 360 total cpu time spent up to now is 96.6 secs Computing kpt #: 361 total cpu time spent up to now is 96.8 secs Computing kpt #: 362 total cpu time spent up to now is 97.0 secs Computing kpt #: 363 total cpu time spent up to now is 97.2 secs Computing kpt #: 364 total cpu time spent up to now is 97.4 secs Computing kpt #: 365 total cpu time spent up to now is 97.6 secs Computing kpt #: 366 total cpu time spent up to now is 97.8 secs Computing kpt #: 367 total cpu time spent up to now is 98.0 secs Computing kpt #: 368 total cpu time spent up to now is 98.2 secs Computing kpt #: 369 total cpu time spent up to now is 98.4 secs Computing kpt #: 370 total cpu time spent up to now is 98.6 secs Computing kpt #: 371 total cpu time spent up to now is 98.8 secs Computing kpt #: 372 total cpu time spent up to now is 99.0 secs Computing kpt #: 373 total cpu time spent up to now is 99.2 secs Computing kpt #: 374 total cpu time spent up to now is 99.4 secs Computing kpt #: 375 total cpu time spent up to now is 99.6 secs Computing kpt #: 376 total cpu time spent up to now is 99.8 secs Computing kpt #: 377 total cpu time spent up to now is 100.0 secs Computing kpt #: 378 total cpu time spent up to now is 100.3 secs Computing kpt #: 379 total cpu time spent up to now is 100.5 secs Computing kpt #: 380 total cpu time spent up to now is 100.7 secs Computing kpt #: 381 total cpu time spent up to now is 100.9 secs Computing kpt #: 382 total cpu time spent up to now is 101.1 secs Computing kpt #: 383 total cpu time spent up to now is 101.3 secs Computing kpt #: 384 total cpu time spent up to now is 101.5 secs Computing kpt #: 385 total cpu time spent up to now is 101.7 secs Computing kpt #: 386 total cpu time spent up to now is 101.9 secs Computing kpt #: 387 total cpu time spent up to now is 102.1 secs Computing kpt #: 388 total cpu time spent up to now is 102.3 secs Computing kpt #: 389 total cpu time spent up to now is 102.5 secs Computing kpt #: 390 total cpu time spent up to now is 102.7 secs Computing kpt #: 391 total cpu time spent up to now is 102.9 secs Computing kpt #: 392 total cpu time spent up to now is 103.1 secs Computing kpt #: 393 total cpu time spent up to now is 103.3 secs Computing kpt #: 394 total cpu time spent up to now is 103.5 secs Computing kpt #: 395 total cpu time spent up to now is 103.7 secs Computing kpt #: 396 total cpu time spent up to now is 103.9 secs Computing kpt #: 397 total cpu time spent up to now is 104.1 secs Computing kpt #: 398 total cpu time spent up to now is 104.2 secs Computing kpt #: 399 total cpu time spent up to now is 104.4 secs Computing kpt #: 400 total cpu time spent up to now is 104.6 secs Computing kpt #: 401 total cpu time spent up to now is 104.8 secs Computing kpt #: 402 total cpu time spent up to now is 105.0 secs Computing kpt #: 403 total cpu time spent up to now is 105.2 secs Computing kpt #: 404 total cpu time spent up to now is 105.4 secs Computing kpt #: 405 total cpu time spent up to now is 105.6 secs Computing kpt #: 406 total cpu time spent up to now is 105.8 secs Computing kpt #: 407 total cpu time spent up to now is 106.0 secs Computing kpt #: 408 total cpu time spent up to now is 106.2 secs Computing kpt #: 409 total cpu time spent up to now is 106.4 secs Computing kpt #: 410 total cpu time spent up to now is 106.6 secs Computing kpt #: 411 total cpu time spent up to now is 106.8 secs Computing kpt #: 412 total cpu time spent up to now is 107.0 secs Computing kpt #: 413 total cpu time spent up to now is 107.2 secs Computing kpt #: 414 total cpu time spent up to now is 107.4 secs Computing kpt #: 415 total cpu time spent up to now is 107.6 secs Computing kpt #: 416 total cpu time spent up to now is 107.8 secs Computing kpt #: 417 total cpu time spent up to now is 107.9 secs Computing kpt #: 418 total cpu time spent up to now is 108.1 secs Computing kpt #: 419 total cpu time spent up to now is 108.3 secs Computing kpt #: 420 total cpu time spent up to now is 108.5 secs Computing kpt #: 421 total cpu time spent up to now is 108.7 secs Computing kpt #: 422 total cpu time spent up to now is 108.9 secs Computing kpt #: 423 total cpu time spent up to now is 109.1 secs Computing kpt #: 424 total cpu time spent up to now is 109.3 secs Computing kpt #: 425 total cpu time spent up to now is 109.5 secs Computing kpt #: 426 total cpu time spent up to now is 109.7 secs ethr = 5.56E-08, avg # of iterations = 23.9 total cpu time spent up to now is 109.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6519 PWs) bands (ev): -43.6440 -43.6440 -43.5313 -43.5313 -17.0394 -17.0394 -16.5891 -16.5891 -2.8453 -2.8453 -2.8257 -2.8257 -2.4669 -2.4669 -1.5764 -1.5764 -1.5146 -1.5146 -1.4956 -1.4956 4.9783 4.9783 7.5327 7.5327 12.8732 12.8733 k = 0.0000 0.0111-0.0000 ( 6517 PWs) bands (ev): -43.6440 -43.6440 -43.5314 -43.5314 -17.0393 -17.0393 -16.5892 -16.5892 -2.8454 -2.8454 -2.8257 -2.8257 -2.4667 -2.4667 -1.5763 -1.5763 -1.5152 -1.5152 -1.4963 -1.4963 4.9802 4.9802 7.5345 7.5345 12.8712 12.8713 k = 0.0000 0.0222-0.0000 ( 6517 PWs) bands (ev): -43.6438 -43.6438 -43.5315 -43.5315 -17.0389 -17.0389 -16.5896 -16.5896 -2.8457 -2.8457 -2.8257 -2.8257 -2.4661 -2.4661 -1.5757 -1.5757 -1.5171 -1.5171 -1.4982 -1.4982 4.9860 4.9860 7.5397 7.5397 12.8628 12.8630 k = 0.0000 0.0333-0.0000 ( 6513 PWs) bands (ev): -43.6436 -43.6436 -43.5316 -43.5316 -17.0383 -17.0383 -16.5904 -16.5904 -2.8468 -2.8468 -2.8251 -2.8251 -2.4651 -2.4651 -1.5750 -1.5750 -1.5205 -1.5205 -1.5012 -1.5012 4.9956 4.9956 7.5485 7.5485 12.8463 12.8464 k = 0.0000 0.0444-0.0000 ( 6505 PWs) bands (ev): -43.6434 -43.6434 -43.5319 -43.5319 -17.0374 -17.0374 -16.5914 -16.5914 -2.8491 -2.8491 -2.8234 -2.8234 -2.4637 -2.4637 -1.5741 -1.5741 -1.5256 -1.5256 -1.5047 -1.5047 5.0090 5.0090 7.5607 7.5607 12.8223 12.8223 k = 0.0000 0.0556-0.0000 ( 6501 PWs) bands (ev): -43.6430 -43.6430 -43.5321 -43.5321 -17.0363 -17.0363 -16.5927 -16.5927 -2.8528 -2.8528 -2.8205 -2.8205 -2.4619 -2.4619 -1.5733 -1.5733 -1.5324 -1.5324 -1.5087 -1.5087 5.0262 5.0262 7.5763 7.5763 12.7911 12.7911 k = 0.0000 0.0667-0.0000 ( 6503 PWs) bands (ev): -43.6426 -43.6426 -43.5325 -43.5325 -17.0350 -17.0350 -16.5944 -16.5944 -2.8577 -2.8577 -2.8162 -2.8162 -2.4597 -2.4597 -1.5735 -1.5735 -1.5403 -1.5403 -1.5128 -1.5128 5.0472 5.0472 7.5954 7.5954 12.7528 12.7528 k = 0.0000 0.0778-0.0000 ( 6505 PWs) bands (ev): -43.6421 -43.6421 -43.5329 -43.5329 -17.0334 -17.0334 -16.5963 -16.5963 -2.8639 -2.8639 -2.8107 -2.8107 -2.4571 -2.4571 -1.5762 -1.5762 -1.5479 -1.5479 -1.5172 -1.5172 5.0718 5.0718 7.6179 7.6179 12.7076 12.7076 k = 0.0000 0.0889-0.0000 ( 6501 PWs) bands (ev): -43.6416 -43.6416 -43.5334 -43.5334 -17.0316 -17.0316 -16.5985 -16.5985 -2.8709 -2.8709 -2.8041 -2.8041 -2.4542 -2.4542 -1.5838 -1.5838 -1.5525 -1.5525 -1.5217 -1.5217 5.1001 5.1001 7.6437 7.6437 12.6556 12.6556 k = 0.0000 0.1000-0.0000 ( 6491 PWs) bands (ev): -43.6410 -43.6410 -43.5339 -43.5339 -17.0295 -17.0295 -16.6009 -16.6009 -2.8787 -2.8787 -2.7965 -2.7965 -2.4510 -2.4510 -1.5966 -1.5966 -1.5540 -1.5540 -1.5264 -1.5264 5.1319 5.1319 7.6727 7.6727 12.5969 12.5969 k = 0.0000 0.1111-0.0000 ( 6491 PWs) bands (ev): -43.6403 -43.6403 -43.5345 -43.5345 -17.0272 -17.0272 -16.6037 -16.6037 -2.8871 -2.8871 -2.7879 -2.7879 -2.4474 -2.4474 -1.6128 -1.6128 -1.5545 -1.5545 -1.5311 -1.5311 5.1673 5.1673 7.7050 7.7050 12.5318 12.5318 k = 0.0000 0.1222-0.0000 ( 6491 PWs) bands (ev): -43.6395 -43.6395 -43.5351 -43.5351 -17.0247 -17.0247 -16.6067 -16.6067 -2.8959 -2.8959 -2.7784 -2.7784 -2.4436 -2.4436 -1.6314 -1.6314 -1.5554 -1.5554 -1.5351 -1.5351 5.2061 5.2061 7.7403 7.7403 12.4607 12.4607 k = 0.0000 0.1333-0.0000 ( 6499 PWs) bands (ev): -43.6387 -43.6387 -43.5358 -43.5358 -17.0219 -17.0219 -16.6100 -16.6100 -2.9050 -2.9050 -2.7680 -2.7680 -2.4395 -2.4395 -1.6518 -1.6518 -1.5581 -1.5581 -1.5377 -1.5377 5.2483 5.2483 7.7787 7.7787 12.3839 12.3839 k = 0.0000 0.1444-0.0000 ( 6499 PWs) bands (ev): -43.6378 -43.6378 -43.5366 -43.5366 -17.0189 -17.0189 -16.6136 -16.6136 -2.9144 -2.9144 -2.7567 -2.7567 -2.4352 -2.4352 -1.6736 -1.6736 -1.5631 -1.5631 -1.5388 -1.5388 5.2937 5.2937 7.8201 7.8201 12.3018 12.3018 k = 0.0000 0.1556-0.0000 ( 6499 PWs) bands (ev): -43.6368 -43.6368 -43.5374 -43.5374 -17.0157 -17.0157 -16.6174 -16.6174 -2.9237 -2.9237 -2.7446 -2.7446 -2.4308 -2.4308 -1.6966 -1.6966 -1.5699 -1.5699 -1.5390 -1.5390 5.3424 5.3424 7.8642 7.8642 12.2148 12.2148 k = 0.0000 0.1667-0.0000 ( 6493 PWs) bands (ev): -43.6358 -43.6358 -43.5383 -43.5383 -17.0122 -17.0122 -16.6215 -16.6215 -2.9331 -2.9331 -2.7317 -2.7317 -2.4263 -2.4263 -1.7205 -1.7205 -1.5779 -1.5779 -1.5390 -1.5390 5.3942 5.3942 7.9110 7.9110 12.1234 12.1234 k = 0.0000 0.1778-0.0000 ( 6494 PWs) bands (ev): -43.6347 -43.6347 -43.5392 -43.5392 -17.0085 -17.0085 -16.6259 -16.6259 -2.9422 -2.9422 -2.7180 -2.7180 -2.4217 -2.4217 -1.7452 -1.7452 -1.5868 -1.5868 -1.5391 -1.5391 5.4491 5.4491 7.9603 7.9603 12.0281 12.0281 k = 0.0000 0.1889-0.0000 ( 6486 PWs) bands (ev): -43.6336 -43.6336 -43.5402 -43.5402 -17.0046 -17.0046 -16.6305 -16.6305 -2.9510 -2.9510 -2.7035 -2.7035 -2.4173 -2.4173 -1.7705 -1.7705 -1.5966 -1.5966 -1.5396 -1.5396 5.5069 5.5069 8.0120 8.0120 11.9293 11.9293 k = 0.0000 0.2000-0.0000 ( 6482 PWs) bands (ev): -43.6324 -43.6324 -43.5413 -43.5413 -17.0005 -17.0005 -16.6353 -16.6353 -2.9595 -2.9595 -2.6882 -2.6882 -2.4132 -2.4132 -1.7960 -1.7960 -1.6070 -1.6070 -1.5407 -1.5407 5.5676 5.5676 8.0658 8.0658 11.8277 11.8277 k = 0.0000 0.2111-0.0000 ( 6482 PWs) bands (ev): -43.6311 -43.6311 -43.5424 -43.5424 -16.9961 -16.9961 -16.6404 -16.6404 -2.9674 -2.9674 -2.6722 -2.6722 -2.4094 -2.4094 -1.8215 -1.8215 -1.6182 -1.6182 -1.5425 -1.5425 5.6311 5.6311 8.1214 8.1214 11.7238 11.7238 k = 0.0000 0.2222-0.0000 ( 6488 PWs) bands (ev): -43.6298 -43.6298 -43.5435 -43.5435 -16.9916 -16.9916 -16.6457 -16.6457 -2.9747 -2.9747 -2.6556 -2.6556 -2.4062 -2.4062 -1.8467 -1.8467 -1.6300 -1.6300 -1.5449 -1.5449 5.6973 5.6973 8.1787 8.1787 11.6181 11.6181 k = 0.0000 0.2333-0.0000 ( 6480 PWs) bands (ev): -43.6284 -43.6284 -43.5447 -43.5447 -16.9868 -16.9868 -16.6512 -16.6512 -2.9814 -2.9814 -2.6382 -2.6382 -2.4037 -2.4037 -1.8714 -1.8714 -1.6424 -1.6424 -1.5482 -1.5482 5.7661 5.7661 8.2373 8.2373 11.5113 11.5113 k = 0.0000 0.2444-0.0000 ( 6488 PWs) bands (ev): -43.6270 -43.6270 -43.5460 -43.5460 -16.9819 -16.9819 -16.6569 -16.6569 -2.9872 -2.9872 -2.6202 -2.6202 -2.4023 -2.4023 -1.8950 -1.8950 -1.6555 -1.6555 -1.5522 -1.5522 5.8375 5.8375 8.2969 8.2969 11.4040 11.4040 k = 0.0000 0.2556-0.0000 ( 6496 PWs) bands (ev): -43.6255 -43.6255 -43.5473 -43.5473 -16.9767 -16.9767 -16.6628 -16.6628 -2.9923 -2.9923 -2.6016 -2.6016 -2.4023 -2.4023 -1.9173 -1.9173 -1.6692 -1.6692 -1.5571 -1.5571 5.9113 5.9113 8.3568 8.3568 11.2968 11.2968 k = 0.0000 0.2667-0.0000 ( 6492 PWs) bands (ev): -43.6240 -43.6240 -43.5487 -43.5487 -16.9713 -16.9713 -16.6689 -16.6689 -2.9964 -2.9964 -2.5824 -2.5824 -2.4039 -2.4039 -1.9379 -1.9379 -1.6835 -1.6835 -1.5629 -1.5629 5.9875 5.9875 8.4167 8.4167 11.1907 11.1907 k = 0.0000 0.2778-0.0000 ( 6482 PWs) bands (ev): -43.6224 -43.6224 -43.5501 -43.5501 -16.9658 -16.9658 -16.6752 -16.6752 -2.9996 -2.9996 -2.5627 -2.5627 -2.4074 -2.4074 -1.9562 -1.9562 -1.6984 -1.6984 -1.5695 -1.5695 6.0660 6.0660 8.4758 8.4758 11.0863 11.0863 k = 0.0000 0.2889-0.0000 ( 6482 PWs) bands (ev): -43.6208 -43.6208 -43.5515 -43.5515 -16.9601 -16.9601 -16.6817 -16.6817 -3.0017 -3.0017 -2.5425 -2.5425 -2.4132 -2.4132 -1.9719 -1.9719 -1.7139 -1.7139 -1.5769 -1.5769 6.1467 6.1467 8.5333 8.5333 10.9847 10.9847 k = 0.0000 0.3000-0.0000 ( 6480 PWs) bands (ev): -43.6192 -43.6192 -43.5530 -43.5530 -16.9542 -16.9542 -16.6883 -16.6883 -3.0027 -3.0027 -2.5218 -2.5218 -2.4216 -2.4216 -1.9846 -1.9846 -1.7299 -1.7299 -1.5852 -1.5852 6.2295 6.2296 8.5882 8.5882 10.8870 10.8870 k = 0.0000 0.3111-0.0000 ( 6482 PWs) bands (ev): -43.6175 -43.6175 -43.5545 -43.5545 -16.9481 -16.9481 -16.6951 -16.6951 -3.0026 -3.0026 -2.5009 -2.5009 -2.4324 -2.4324 -1.9942 -1.9942 -1.7466 -1.7466 -1.5944 -1.5944 6.3144 6.3144 8.6393 8.6393 10.7945 10.7945 k = 0.0000 0.3222-0.0000 ( 6494 PWs) bands (ev): -43.6158 -43.6158 -43.5561 -43.5561 -16.9418 -16.9418 -16.7021 -16.7021 -3.0014 -3.0014 -2.4801 -2.4801 -2.4452 -2.4452 -2.0007 -2.0007 -1.7638 -1.7638 -1.6044 -1.6044 6.4013 6.4013 8.6851 8.6851 10.7090 10.7090 k = 0.0000 0.3333-0.0000 ( 6496 PWs) bands (ev): -43.6140 -43.6140 -43.5577 -43.5577 -16.9354 -16.9354 -16.7092 -16.7092 -2.9989 -2.9989 -2.4684 -2.4684 -2.4511 -2.4511 -2.0039 -2.0039 -1.7815 -1.7815 -1.6151 -1.6151 6.4900 6.4900 8.7239 8.7239 10.6320 10.6320 k = 0.0000 0.3444-0.0000 ( 6500 PWs) bands (ev): -43.6123 -43.6123 -43.5594 -43.5594 -16.9289 -16.9289 -16.7164 -16.7164 -2.9953 -2.9953 -2.4833 -2.4833 -2.4325 -2.4325 -2.0042 -2.0042 -1.7998 -1.7998 -1.6266 -1.6266 6.5806 6.5806 8.7537 8.7537 10.5657 10.5657 k = 0.0000 0.3556-0.0000 ( 6500 PWs) bands (ev): -43.6104 -43.6104 -43.5610 -43.5610 -16.9222 -16.9222 -16.7237 -16.7237 -2.9903 -2.9903 -2.5032 -2.5032 -2.4103 -2.4103 -2.0018 -2.0018 -1.8186 -1.8186 -1.6388 -1.6388 6.6728 6.6728 8.7726 8.7726 10.5122 10.5122 k = 0.0000 0.3667-0.0000 ( 6496 PWs) bands (ev): -43.6086 -43.6086 -43.5628 -43.5628 -16.9153 -16.9153 -16.7311 -16.7311 -2.9841 -2.9841 -2.5252 -2.5252 -2.3874 -2.3874 -1.9970 -1.9970 -1.8379 -1.8379 -1.6517 -1.6517 6.7667 6.7667 8.7786 8.7786 10.4733 10.4733 k = 0.0000 0.3778-0.0000 ( 6494 PWs) bands (ev): -43.6067 -43.6067 -43.5645 -43.5645 -16.9083 -16.9083 -16.7387 -16.7387 -2.9767 -2.9767 -2.5484 -2.5484 -2.3642 -2.3642 -1.9901 -1.9901 -1.8577 -1.8577 -1.6652 -1.6652 6.8621 6.8621 8.7704 8.7704 10.4504 10.4504 k = 0.0000 0.3889-0.0000 ( 6498 PWs) bands (ev): -43.6048 -43.6048 -43.5663 -43.5663 -16.9012 -16.9012 -16.7463 -16.7463 -2.9679 -2.9679 -2.5726 -2.5726 -2.3407 -2.3407 -1.9814 -1.9814 -1.8779 -1.8779 -1.6793 -1.6793 6.9589 6.9589 8.7474 8.7474 10.4441 10.4441 k = 0.0000 0.4000-0.0000 ( 6500 PWs) bands (ev): -43.6029 -43.6029 -43.5681 -43.5681 -16.8940 -16.8940 -16.7540 -16.7540 -2.9579 -2.9579 -2.5975 -2.5975 -2.3171 -2.3171 -1.9713 -1.9713 -1.8984 -1.8984 -1.6939 -1.6939 7.0571 7.0571 8.7099 8.7099 10.4542 10.4542 k = 0.0000 0.4111-0.0000 ( 6494 PWs) bands (ev): -43.6010 -43.6010 -43.5699 -43.5699 -16.8867 -16.8867 -16.7618 -16.7618 -2.9466 -2.9466 -2.6226 -2.6226 -2.2932 -2.2932 -1.9602 -1.9602 -1.9191 -1.9191 -1.7090 -1.7090 7.1564 7.1564 8.6590 8.6590 10.4796 10.4796 k = 0.0000 0.4222-0.0000 ( 6494 PWs) bands (ev): -43.5991 -43.5991 -43.5718 -43.5718 -16.8792 -16.8792 -16.7696 -16.7696 -2.9341 -2.9341 -2.6479 -2.6479 -2.2693 -2.2693 -1.9507 -1.9507 -1.9375 -1.9375 -1.7245 -1.7245 7.2567 7.2567 8.5963 8.5963 10.5185 10.5185 k = 0.0000 0.4333-0.0000 ( 6502 PWs) bands (ev): -43.5971 -43.5971 -43.5737 -43.5737 -16.8717 -16.8717 -16.7775 -16.7775 -2.9203 -2.9203 -2.6730 -2.6730 -2.2452 -2.2452 -1.9647 -1.9647 -1.9318 -1.9318 -1.7404 -1.7404 7.3579 7.3579 8.5239 8.5239 10.5691 10.5691 k = 0.0000 0.4444-0.0000 ( 6504 PWs) bands (ev): -43.5951 -43.5951 -43.5756 -43.5756 -16.8641 -16.8641 -16.7854 -16.7854 -2.9053 -2.9053 -2.6979 -2.6979 -2.2212 -2.2212 -1.9863 -1.9863 -1.9180 -1.9180 -1.7565 -1.7565 7.4598 7.4598 8.4434 8.4434 10.6295 10.6295 k = 0.0000 0.4556-0.0000 ( 6498 PWs) bands (ev): -43.5932 -43.5932 -43.5775 -43.5775 -16.8564 -16.8564 -16.7933 -16.7933 -2.8891 -2.8891 -2.7223 -2.7223 -2.1971 -2.1971 -2.0087 -2.0087 -1.9032 -1.9032 -1.7729 -1.7729 7.5622 7.5622 8.3565 8.3565 10.6980 10.6980 k = 0.0000 0.4667-0.0000 ( 6494 PWs) bands (ev): -43.5912 -43.5912 -43.5794 -43.5794 -16.8486 -16.8486 -16.8013 -16.8013 -2.8717 -2.8717 -2.7461 -2.7461 -2.1730 -2.1730 -2.0315 -2.0315 -1.8878 -1.8878 -1.7894 -1.7894 7.6649 7.6649 8.2648 8.2648 10.7732 10.7732 k = 0.0000 0.4778-0.0000 ( 6498 PWs) bands (ev): -43.5892 -43.5892 -43.5814 -43.5814 -16.8408 -16.8408 -16.8092 -16.8092 -2.8532 -2.8532 -2.7693 -2.7693 -2.1491 -2.1491 -2.0546 -2.0546 -1.8719 -1.8719 -1.8060 -1.8060 7.7675 7.7675 8.1694 8.1694 10.8538 10.8538 k = 0.0000 0.4889-0.0000 ( 6506 PWs) bands (ev): -43.5873 -43.5873 -43.5833 -43.5833 -16.8330 -16.8330 -16.8172 -16.8172 -2.8337 -2.8337 -2.7916 -2.7916 -2.1252 -2.1252 -2.0779 -2.0779 -1.8557 -1.8557 -1.8227 -1.8227 7.8697 7.8697 8.0713 8.0713 10.9388 10.9388 k = 0.0000 0.5000-0.0000 ( 6506 PWs) bands (ev): -43.5853 -43.5853 -43.5853 -43.5853 -16.8251 -16.8251 -16.8251 -16.8251 -2.8131 -2.8131 -2.8131 -2.8131 -2.1015 -2.1015 -2.1015 -2.1015 -1.8392 -1.8392 -1.8392 -1.8392 7.9712 7.9712 7.9712 7.9712 11.0275 11.0275 k = 0.0000 0.5000-0.0000 ( 6506 PWs) bands (ev): -43.5853 -43.5853 -43.5853 -43.5853 -16.8251 -16.8251 -16.8251 -16.8251 -2.8131 -2.8131 -2.8131 -2.8131 -2.1015 -2.1015 -2.1015 -2.1015 -1.8392 -1.8392 -1.8392 -1.8392 7.9712 7.9712 7.9712 7.9712 11.0275 11.0275 k = 0.0111 0.5000-0.0000 ( 6514 PWs) bands (ev): -43.5853 -43.5853 -43.5853 -43.5853 -16.8251 -16.8251 -16.8251 -16.8251 -2.8131 -2.8131 -2.8128 -2.8128 -2.1043 -2.1043 -2.1015 -2.1015 -1.8395 -1.8395 -1.8368 -1.8368 7.9706 7.9706 7.9706 7.9706 11.0291 11.0293 k = 0.0222 0.5000-0.0000 ( 6502 PWs) bands (ev): -43.5853 -43.5853 -43.5853 -43.5853 -16.8251 -16.8251 -16.8251 -16.8251 -2.8127 -2.8127 -2.8121 -2.8121 -2.1099 -2.1099 -2.1043 -2.1043 -1.8377 -1.8377 -1.8324 -1.8324 7.9687 7.9687 7.9687 7.9687 11.0342 11.0345 k = 0.0333 0.5000-0.0000 ( 6494 PWs) bands (ev): -43.5853 -43.5853 -43.5853 -43.5853 -16.8252 -16.8252 -16.8252 -16.8252 -2.8119 -2.8119 -2.8110 -2.8110 -2.1178 -2.1178 -2.1097 -2.1097 -1.8338 -1.8338 -1.8263 -1.8263 7.9656 7.9656 7.9656 7.9656 11.0428 11.0431 k = 0.0444 0.5000-0.0000 ( 6498 PWs) bands (ev): -43.5852 -43.5852 -43.5852 -43.5852 -16.8252 -16.8252 -16.8252 -16.8252 -2.8107 -2.8107 -2.8096 -2.8096 -2.1277 -2.1277 -2.1175 -2.1175 -1.8284 -1.8284 -1.8189 -1.8189 7.9613 7.9613 7.9613 7.9613 11.0547 11.0552 k = 0.0556 0.5000-0.0000 ( 6498 PWs) bands (ev): -43.5852 -43.5852 -43.5852 -43.5852 -16.8253 -16.8253 -16.8253 -16.8253 -2.8093 -2.8093 -2.8079 -2.8079 -2.1392 -2.1392 -2.1273 -2.1273 -1.8216 -1.8216 -1.8106 -1.8106 7.9559 7.9559 7.9559 7.9559 11.0698 11.0699 k = 0.0667 0.5000-0.0000 ( 6510 PWs) bands (ev): -43.5852 -43.5852 -43.5852 -43.5852 -16.8255 -16.8255 -16.8255 -16.8255 -2.8075 -2.8075 -2.8059 -2.8059 -2.1519 -2.1519 -2.1385 -2.1385 -1.8139 -1.8139 -1.8016 -1.8016 7.9492 7.9492 7.9493 7.9493 11.0881 11.0881 k = 0.0778 0.5000-0.0000 ( 6514 PWs) bands (ev): -43.5851 -43.5851 -43.5851 -43.5851 -16.8256 -16.8256 -16.8256 -16.8256 -2.8055 -2.8055 -2.8036 -2.8036 -2.1656 -2.1656 -2.1509 -2.1509 -1.8056 -1.8056 -1.7922 -1.7922 7.9415 7.9415 7.9415 7.9415 11.1095 11.1095 k = 0.0889 0.5000-0.0000 ( 6514 PWs) bands (ev): -43.5851 -43.5851 -43.5851 -43.5851 -16.8257 -16.8257 -16.8257 -16.8257 -2.8033 -2.8033 -2.8011 -2.8011 -2.1798 -2.1798 -2.1641 -2.1641 -1.7970 -1.7970 -1.7828 -1.7828 7.9328 7.9328 7.9328 7.9328 11.1338 11.1338 k = 0.1000 0.5000-0.0000 ( 6510 PWs) bands (ev): -43.5850 -43.5850 -43.5850 -43.5850 -16.8259 -16.8259 -16.8259 -16.8259 -2.8009 -2.8009 -2.7984 -2.7984 -2.1943 -2.1943 -2.1778 -2.1778 -1.7883 -1.7883 -1.7736 -1.7736 7.9230 7.9230 7.9230 7.9230 11.1607 11.1608 k = 0.1111 0.5000-0.0000 ( 6510 PWs) bands (ev): -43.5850 -43.5850 -43.5850 -43.5850 -16.8261 -16.8261 -16.8261 -16.8261 -2.7984 -2.7984 -2.7956 -2.7956 -2.2089 -2.2089 -2.1917 -2.1917 -1.7798 -1.7798 -1.7646 -1.7646 7.9123 7.9123 7.9123 7.9123 11.1901 11.1901 k = 0.1222 0.5000-0.0000 ( 6510 PWs) bands (ev): -43.5849 -43.5849 -43.5849 -43.5849 -16.8263 -16.8263 -16.8263 -16.8263 -2.7960 -2.7960 -2.7929 -2.7929 -2.2233 -2.2233 -2.2055 -2.2055 -1.7717 -1.7717 -1.7560 -1.7560 7.9007 7.9007 7.9008 7.9008 11.2216 11.2233 k = 0.1333 0.5000-0.0000 ( 6506 PWs) bands (ev): -43.5849 -43.5849 -43.5849 -43.5849 -16.8265 -16.8265 -16.8265 -16.8265 -2.7935 -2.7935 -2.7901 -2.7901 -2.2374 -2.2374 -2.2191 -2.2191 -1.7640 -1.7640 -1.7480 -1.7480 7.8884 7.8884 7.8884 7.8884 11.2548 11.2549 k = 0.1444 0.5000-0.0000 ( 6502 PWs) bands (ev): -43.5848 -43.5848 -43.5848 -43.5848 -16.8268 -16.8268 -16.8268 -16.8268 -2.7912 -2.7912 -2.7876 -2.7876 -2.2510 -2.2510 -2.2322 -2.2322 -1.7568 -1.7568 -1.7406 -1.7406 7.8753 7.8753 7.8753 7.8753 11.2894 11.2894 k = 0.1556 0.5000-0.0000 ( 6508 PWs) bands (ev): -43.5847 -43.5847 -43.5847 -43.5847 -16.8270 -16.8270 -16.8270 -16.8270 -2.7892 -2.7892 -2.7852 -2.7852 -2.2638 -2.2638 -2.2446 -2.2446 -1.7503 -1.7503 -1.7339 -1.7339 7.8615 7.8615 7.8615 7.8615 11.3248 11.3248 k = 0.1667 0.5000-0.0000 ( 6512 PWs) bands (ev): -43.5846 -43.5846 -43.5846 -43.5846 -16.8273 -16.8273 -16.8273 -16.8273 -2.7874 -2.7874 -2.7832 -2.7832 -2.2756 -2.2756 -2.2561 -2.2561 -1.7445 -1.7445 -1.7280 -1.7280 7.8471 7.8471 7.8472 7.8472 11.3603 11.3603 k = 0.1778 0.5000-0.0000 ( 6512 PWs) bands (ev): -43.5846 -43.5846 -43.5846 -43.5846 -16.8276 -16.8276 -16.8276 -16.8276 -2.7861 -2.7861 -2.7817 -2.7817 -2.2864 -2.2864 -2.2666 -2.2666 -1.7395 -1.7395 -1.7229 -1.7229 7.8323 7.8323 7.8323 7.8323 11.3952 11.3952 k = 0.1889 0.5000-0.0000 ( 6516 PWs) bands (ev): -43.5845 -43.5845 -43.5845 -43.5845 -16.8279 -16.8279 -16.8279 -16.8279 -2.7853 -2.7853 -2.7807 -2.7807 -2.2960 -2.2960 -2.2760 -2.2760 -1.7353 -1.7353 -1.7187 -1.7187 7.8170 7.8170 7.8171 7.8171 11.4287 11.4287 k = 0.2000 0.5000-0.0000 ( 6516 PWs) bands (ev): -43.5844 -43.5844 -43.5844 -43.5844 -16.8282 -16.8282 -16.8282 -16.8282 -2.7850 -2.7850 -2.7803 -2.7803 -2.3041 -2.3041 -2.2840 -2.2840 -1.7320 -1.7320 -1.7153 -1.7153 7.8015 7.8015 7.8015 7.8015 11.4598 11.4600 k = 0.2111 0.5000-0.0000 ( 6522 PWs) bands (ev): -43.5843 -43.5843 -43.5843 -43.5843 -16.8285 -16.8285 -16.8285 -16.8285 -2.7855 -2.7855 -2.7807 -2.7807 -2.3108 -2.3108 -2.2907 -2.2907 -1.7295 -1.7295 -1.7129 -1.7129 7.7856 7.7856 7.7856 7.7856 11.4877 11.4877 k = 0.2222 0.5000-0.0000 ( 6510 PWs) bands (ev): -43.5842 -43.5842 -43.5842 -43.5842 -16.8288 -16.8288 -16.8288 -16.8288 -2.7866 -2.7866 -2.7818 -2.7818 -2.3159 -2.3159 -2.2957 -2.2957 -1.7279 -1.7279 -1.7113 -1.7113 7.7696 7.7696 7.7696 7.7696 11.5112 11.5112 k = 0.2333 0.5000-0.0000 ( 6514 PWs) bands (ev): -43.5841 -43.5841 -43.5841 -43.5841 -16.8291 -16.8291 -16.8291 -16.8291 -2.7885 -2.7885 -2.7837 -2.7837 -2.3193 -2.3193 -2.2993 -2.2993 -1.7272 -1.7272 -1.7107 -1.7107 7.7535 7.7535 7.7536 7.7536 11.5297 11.5338 k = 0.2444 0.5000-0.0000 ( 6514 PWs) bands (ev): -43.5840 -43.5840 -43.5840 -43.5840 -16.8294 -16.8294 -16.8294 -16.8294 -2.7912 -2.7912 -2.7865 -2.7865 -2.3210 -2.3210 -2.3011 -2.3011 -1.7274 -1.7274 -1.7110 -1.7110 7.7374 7.7374 7.7375 7.7375 11.5426 11.5426 k = 0.2556 0.5000-0.0000 ( 6504 PWs) bands (ev): -43.5839 -43.5839 -43.5839 -43.5839 -16.8297 -16.8297 -16.8297 -16.8297 -2.7946 -2.7946 -2.7900 -2.7900 -2.3211 -2.3211 -2.3014 -2.3014 -1.7285 -1.7285 -1.7121 -1.7121 7.7214 7.7214 7.7214 7.7214 11.5497 11.5497 k = 0.2667 0.5000-0.0000 ( 6504 PWs) bands (ev): -43.5838 -43.5838 -43.5838 -43.5838 -16.8300 -16.8300 -16.8300 -16.8300 -2.7987 -2.7987 -2.7943 -2.7943 -2.3195 -2.3195 -2.3001 -2.3001 -1.7304 -1.7304 -1.7142 -1.7142 7.7055 7.7055 7.7055 7.7055 11.5512 11.5512 k = 0.2778 0.5000-0.0000 ( 6510 PWs) bands (ev): -43.5838 -43.5838 -43.5838 -43.5838 -16.8303 -16.8303 -16.8303 -16.8303 -2.8035 -2.8035 -2.7993 -2.7993 -2.3163 -2.3163 -2.2973 -2.2973 -1.7332 -1.7332 -1.7171 -1.7171 7.6898 7.6898 7.6899 7.6899 11.5476 11.5476 k = 0.2889 0.5000-0.0000 ( 6528 PWs) bands (ev): -43.5837 -43.5837 -43.5837 -43.5837 -16.8306 -16.8306 -16.8306 -16.8306 -2.8088 -2.8088 -2.8049 -2.8049 -2.3117 -2.3117 -2.2931 -2.2931 -1.7369 -1.7369 -1.7209 -1.7209 7.6745 7.6745 7.6745 7.6745 11.5396 11.5398 k = 0.3000 0.5000-0.0000 ( 6520 PWs) bands (ev): -43.5836 -43.5836 -43.5836 -43.5836 -16.8309 -16.8309 -16.8309 -16.8309 -2.8145 -2.8145 -2.8109 -2.8109 -2.3057 -2.3057 -2.2875 -2.2875 -1.7413 -1.7413 -1.7255 -1.7255 7.6595 7.6595 7.6595 7.6595 11.5280 11.5280 k = 0.3111 0.5000-0.0000 ( 6520 PWs) bands (ev): -43.5835 -43.5835 -43.5835 -43.5835 -16.8312 -16.8312 -16.8312 -16.8312 -2.8207 -2.8207 -2.8173 -2.8173 -2.2985 -2.2985 -2.2807 -2.2807 -1.7464 -1.7464 -1.7309 -1.7309 7.6449 7.6449 7.6449 7.6449 11.5136 11.5136 k = 0.3222 0.5000-0.0000 ( 6512 PWs) bands (ev): -43.5834 -43.5834 -43.5834 -43.5834 -16.8315 -16.8315 -16.8315 -16.8315 -2.8270 -2.8270 -2.8239 -2.8239 -2.2901 -2.2901 -2.2729 -2.2729 -1.7523 -1.7523 -1.7370 -1.7370 7.6308 7.6308 7.6308 7.6308 11.4973 11.4973 k = 0.3333 0.5000-0.0000 ( 6502 PWs) bands (ev): -43.5833 -43.5833 -43.5833 -43.5833 -16.8318 -16.8318 -16.8318 -16.8318 -2.8335 -2.8335 -2.8307 -2.8307 -2.2809 -2.2809 -2.2642 -2.2642 -1.7588 -1.7588 -1.7437 -1.7437 7.6173 7.6173 7.6173 7.6173 11.4796 11.4796 k = 0.3444 0.5000-0.0000 ( 6514 PWs) bands (ev): -43.5833 -43.5833 -43.5833 -43.5833 -16.8321 -16.8321 -16.8321 -16.8321 -2.8400 -2.8400 -2.8375 -2.8375 -2.2708 -2.2708 -2.2546 -2.2546 -1.7659 -1.7659 -1.7511 -1.7511 7.6043 7.6043 7.6044 7.6044 11.4612 11.4651 k = 0.3556 0.5000-0.0000 ( 6518 PWs) bands (ev): -43.5832 -43.5832 -43.5832 -43.5832 -16.8323 -16.8323 -16.8323 -16.8323 -2.8465 -2.8465 -2.8443 -2.8443 -2.2601 -2.2601 -2.2444 -2.2444 -1.7734 -1.7734 -1.7590 -1.7590 7.5920 7.5920 7.5921 7.5921 11.4425 11.4425 k = 0.3667 0.5000-0.0000 ( 6526 PWs) bands (ev): -43.5831 -43.5831 -43.5831 -43.5831 -16.8326 -16.8326 -16.8326 -16.8326 -2.8528 -2.8528 -2.8508 -2.8508 -2.2489 -2.2489 -2.2338 -2.2338 -1.7814 -1.7814 -1.7674 -1.7674 7.5805 7.5805 7.5805 7.5805 11.4240 11.4240 k = 0.3778 0.5000-0.0000 ( 6530 PWs) bands (ev): -43.5831 -43.5831 -43.5831 -43.5831 -16.8328 -16.8328 -16.8328 -16.8328 -2.8589 -2.8589 -2.8572 -2.8572 -2.2373 -2.2373 -2.2229 -2.2229 -1.7897 -1.7897 -1.7761 -1.7761 7.5697 7.5697 7.5697 7.5697 11.4061 11.4061 k = 0.3889 0.5000-0.0000 ( 6530 PWs) bands (ev): -43.5830 -43.5830 -43.5830 -43.5830 -16.8330 -16.8330 -16.8330 -16.8330 -2.8647 -2.8647 -2.8632 -2.8632 -2.2255 -2.2255 -2.2118 -2.2118 -1.7982 -1.7982 -1.7852 -1.7852 7.5597 7.5597 7.5597 7.5597 11.3889 11.3889 k = 0.4000 0.5000-0.0000 ( 6534 PWs) bands (ev): -43.5829 -43.5829 -43.5829 -43.5829 -16.8332 -16.8332 -16.8332 -16.8332 -2.8701 -2.8701 -2.8688 -2.8688 -2.2138 -2.2138 -2.2008 -2.2008 -1.8068 -1.8068 -1.7943 -1.7943 7.5505 7.5505 7.5505 7.5505 11.3729 11.3729 k = 0.4111 0.5000-0.0000 ( 6538 PWs) bands (ev): -43.5829 -43.5829 -43.5829 -43.5829 -16.8334 -16.8334 -16.8334 -16.8334 -2.8751 -2.8751 -2.8739 -2.8739 -2.2022 -2.2022 -2.1900 -2.1900 -1.8152 -1.8152 -1.8035 -1.8035 7.5422 7.5422 7.5422 7.5422 11.3581 11.3581 k = 0.4222 0.5000-0.0000 ( 6534 PWs) bands (ev): -43.5828 -43.5828 -43.5828 -43.5828 -16.8335 -16.8335 -16.8335 -16.8335 -2.8796 -2.8796 -2.8786 -2.8786 -2.1909 -2.1909 -2.1798 -2.1798 -1.8234 -1.8234 -1.8125 -1.8125 7.5348 7.5348 7.5348 7.5348 11.3447 11.3447 k = 0.4333 0.5000-0.0000 ( 6534 PWs) bands (ev): -43.5828 -43.5828 -43.5828 -43.5828 -16.8337 -16.8337 -16.8337 -16.8337 -2.8836 -2.8836 -2.8828 -2.8828 -2.1803 -2.1803 -2.1702 -2.1702 -1.8310 -1.8310 -1.8212 -1.8212 7.5283 7.5283 7.5283 7.5283 11.3329 11.3329 k = 0.4444 0.5000-0.0000 ( 6530 PWs) bands (ev): -43.5828 -43.5828 -43.5828 -43.5828 -16.8338 -16.8338 -16.8338 -16.8338 -2.8870 -2.8870 -2.8863 -2.8863 -2.1704 -2.1704 -2.1616 -2.1616 -1.8380 -1.8380 -1.8294 -1.8294 7.5228 7.5228 7.5228 7.5228 11.3228 11.3228 k = 0.4556 0.5000-0.0000 ( 6530 PWs) bands (ev): -43.5827 -43.5827 -43.5827 -43.5827 -16.8339 -16.8339 -16.8339 -16.8339 -2.8898 -2.8898 -2.8893 -2.8893 -2.1617 -2.1617 -2.1543 -2.1543 -1.8440 -1.8440 -1.8367 -1.8367 7.5182 7.5182 7.5183 7.5183 11.3144 11.3144 k = 0.4667 0.5000-0.0000 ( 6560 PWs) bands (ev): -43.5827 -43.5827 -43.5827 -43.5827 -16.8340 -16.8340 -16.8340 -16.8340 -2.8920 -2.8920 -2.8916 -2.8916 -2.1542 -2.1542 -2.1484 -2.1484 -1.8487 -1.8487 -1.8430 -1.8430 7.5147 7.5147 7.5147 7.5147 11.3081 11.3084 k = 0.4778 0.5000-0.0000 ( 6556 PWs) bands (ev): -43.5827 -43.5827 -43.5827 -43.5827 -16.8340 -16.8340 -16.8340 -16.8340 -2.8936 -2.8936 -2.8933 -2.8933 -2.1484 -2.1484 -2.1444 -2.1444 -1.8520 -1.8520 -1.8481 -1.8481 7.5122 7.5122 7.5122 7.5122 11.3033 11.3036 k = 0.4889 0.5000-0.0000 ( 6552 PWs) bands (ev): -43.5827 -43.5827 -43.5827 -43.5827 -16.8341 -16.8341 -16.8341 -16.8341 -2.8945 -2.8945 -2.8944 -2.8944 -2.1443 -2.1443 -2.1423 -2.1423 -1.8536 -1.8536 -1.8516 -1.8516 7.5106 7.5106 7.5106 7.5106 11.3004 11.3006 k = 0.5000 0.5000-0.0000 ( 6544 PWs) bands (ev): -43.5827 -43.5827 -43.5827 -43.5827 -16.8341 -16.8341 -16.8341 -16.8341 -2.8948 -2.8948 -2.8948 -2.8948 -2.1423 -2.1423 -2.1423 -2.1423 -1.8535 -1.8535 -1.8535 -1.8535 7.5101 7.5101 7.5101 7.5101 11.2996 11.2996 k = 0.5000 0.5000-0.0000 ( 6544 PWs) bands (ev): -43.5827 -43.5827 -43.5827 -43.5827 -16.8341 -16.8341 -16.8341 -16.8341 -2.8948 -2.8948 -2.8948 -2.8948 -2.1423 -2.1423 -2.1423 -2.1423 -1.8535 -1.8535 -1.8535 -1.8535 7.5101 7.5101 7.5101 7.5101 11.2996 11.2996 k = 0.4921 0.4921-0.0000 ( 6554 PWs) bands (ev): -43.5827 -43.5827 -43.5827 -43.5827 -16.8342 -16.8342 -16.8339 -16.8339 -2.8947 -2.8947 -2.8941 -2.8941 -2.1447 -2.1447 -2.1419 -2.1419 -1.8538 -1.8538 -1.8514 -1.8514 7.5089 7.5089 7.5124 7.5124 11.3001 11.3008 k = 0.4841 0.4841-0.0000 ( 6554 PWs) bands (ev): -43.5829 -43.5829 -43.5826 -43.5826 -16.8346 -16.8346 -16.8335 -16.8335 -2.8946 -2.8946 -2.8923 -2.8923 -2.1506 -2.1506 -2.1423 -2.1423 -1.8533 -1.8533 -1.8467 -1.8467 7.5050 7.5050 7.5194 7.5194 11.3019 11.3019 k = 0.4762 0.4762-0.0000 ( 6558 PWs) bands (ev): -43.5830 -43.5830 -43.5824 -43.5824 -16.8353 -16.8353 -16.8327 -16.8327 -2.8943 -2.8943 -2.8892 -2.8892 -2.1599 -2.1599 -2.1429 -2.1429 -1.8523 -1.8523 -1.8394 -1.8394 7.4987 7.4987 7.5309 7.5309 11.3048 11.3048 k = 0.4683 0.4683-0.0000 ( 6538 PWs) bands (ev): -43.5833 -43.5833 -43.5822 -43.5822 -16.8362 -16.8362 -16.8316 -16.8316 -2.8940 -2.8940 -2.8848 -2.8848 -2.1722 -2.1722 -2.1439 -2.1439 -1.8508 -1.8508 -1.8299 -1.8299 7.4898 7.4898 7.5469 7.5469 11.3090 11.3090 k = 0.4603 0.4603-0.0000 ( 6526 PWs) bands (ev): -43.5836 -43.5836 -43.5819 -43.5819 -16.8373 -16.8373 -16.8303 -16.8303 -2.8935 -2.8935 -2.8792 -2.8792 -2.1870 -2.1870 -2.1451 -2.1451 -1.8488 -1.8488 -1.8187 -1.8187 7.4784 7.4784 7.5675 7.5675 11.3143 11.3143 k = 0.4524 0.4524-0.0000 ( 6514 PWs) bands (ev): -43.5840 -43.5840 -43.5815 -43.5815 -16.8387 -16.8387 -16.8286 -16.8286 -2.8930 -2.8930 -2.8724 -2.8724 -2.2038 -2.2038 -2.1466 -2.1466 -1.8465 -1.8465 -1.8063 -1.8063 7.4645 7.4645 7.5924 7.5924 11.3208 11.3208 k = 0.4444 0.4444-0.0000 ( 6516 PWs) bands (ev): -43.5845 -43.5845 -43.5811 -43.5811 -16.8404 -16.8404 -16.8267 -16.8267 -2.8924 -2.8924 -2.8643 -2.8643 -2.2221 -2.2221 -2.1484 -2.1484 -1.8437 -1.8437 -1.7930 -1.7930 7.4481 7.4481 7.6216 7.6216 11.3284 11.3284 k = 0.4365 0.4365-0.0000 ( 6516 PWs) bands (ev): -43.5851 -43.5851 -43.5807 -43.5807 -16.8423 -16.8423 -16.8244 -16.8244 -2.8916 -2.8916 -2.8551 -2.8551 -2.2418 -2.2418 -2.1504 -2.1504 -1.8405 -1.8405 -1.7791 -1.7791 7.4293 7.4293 7.6550 7.6550 11.3373 11.3373 k = 0.4286 0.4286-0.0000 ( 6528 PWs) bands (ev): -43.5857 -43.5857 -43.5802 -43.5802 -16.8445 -16.8445 -16.8219 -16.8219 -2.8908 -2.8908 -2.8446 -2.8446 -2.2624 -2.2624 -2.1527 -2.1527 -1.8370 -1.8370 -1.7648 -1.7648 7.4080 7.4080 7.6924 7.6924 11.3474 11.3474 k = 0.4206 0.4206-0.0000 ( 6526 PWs) bands (ev): -43.5864 -43.5864 -43.5796 -43.5796 -16.8468 -16.8468 -16.8191 -16.8191 -2.8899 -2.8899 -2.8329 -2.8329 -2.2838 -2.2838 -2.1552 -2.1552 -1.8330 -1.8330 -1.7504 -1.7504 7.3842 7.3842 7.7336 7.7336 11.3587 11.3587 k = 0.4127 0.4127-0.0000 ( 6520 PWs) bands (ev): -43.5872 -43.5872 -43.5789 -43.5789 -16.8494 -16.8494 -16.8160 -16.8160 -2.8890 -2.8890 -2.8201 -2.8201 -2.3058 -2.3058 -2.1580 -2.1580 -1.8286 -1.8286 -1.7360 -1.7360 7.3581 7.3581 7.7784 7.7784 11.3711 11.3711 k = 0.4048 0.4048-0.0000 ( 6514 PWs) bands (ev): -43.5880 -43.5880 -43.5782 -43.5782 -16.8523 -16.8523 -16.8127 -16.8127 -2.8879 -2.8879 -2.8061 -2.8061 -2.3282 -2.3282 -2.1611 -2.1611 -1.8239 -1.8239 -1.7217 -1.7217 7.3296 7.3296 7.8267 7.8267 11.3848 11.3848 k = 0.3968 0.3968-0.0000 ( 6510 PWs) bands (ev): -43.5889 -43.5889 -43.5775 -43.5775 -16.8553 -16.8553 -16.8091 -16.8091 -2.8868 -2.8868 -2.7910 -2.7910 -2.3509 -2.3509 -2.1644 -2.1644 -1.8188 -1.8188 -1.7076 -1.7076 7.2987 7.2987 7.8781 7.8781 11.3997 11.3997 k = 0.3889 0.3889-0.0000 ( 6512 PWs) bands (ev): -43.5899 -43.5899 -43.5767 -43.5767 -16.8585 -16.8585 -16.8053 -16.8053 -2.8856 -2.8856 -2.7747 -2.7747 -2.3738 -2.3738 -2.1679 -2.1679 -1.8134 -1.8134 -1.6937 -1.6937 7.2656 7.2656 7.9324 7.9324 11.4158 11.4158 k = 0.3810 0.3810-0.0000 ( 6514 PWs) bands (ev): -43.5909 -43.5909 -43.5759 -43.5759 -16.8620 -16.8620 -16.8012 -16.8012 -2.8844 -2.8844 -2.7573 -2.7573 -2.3968 -2.3968 -2.1717 -2.1717 -1.8077 -1.8077 -1.6802 -1.6802 7.2302 7.2302 7.9892 7.9892 11.4332 11.4332 k = 0.3730 0.3730-0.0000 ( 6506 PWs) bands (ev): -43.5920 -43.5920 -43.5750 -43.5750 -16.8656 -16.8656 -16.7969 -16.7969 -2.8830 -2.8830 -2.7389 -2.7389 -2.4197 -2.4197 -2.1757 -2.1757 -1.8016 -1.8016 -1.6670 -1.6670 7.1925 7.1925 8.0482 8.0482 11.4517 11.4517 k = 0.3651 0.3651-0.0000 ( 6506 PWs) bands (ev): -43.5931 -43.5931 -43.5740 -43.5740 -16.8694 -16.8694 -16.7924 -16.7924 -2.8817 -2.8817 -2.7195 -2.7195 -2.4425 -2.4425 -2.1798 -2.1798 -1.7952 -1.7952 -1.6542 -1.6542 7.1527 7.1527 8.1089 8.1089 11.4715 11.4715 k = 0.3571 0.3571-0.0000 ( 6512 PWs) bands (ev): -43.5943 -43.5943 -43.5731 -43.5731 -16.8734 -16.8734 -16.7877 -16.7877 -2.8803 -2.8803 -2.6990 -2.6990 -2.4652 -2.4652 -2.1841 -2.1841 -1.7886 -1.7886 -1.6418 -1.6418 7.1108 7.1108 8.1708 8.1708 11.4926 11.4926 k = 0.3492 0.3492-0.0000 ( 6504 PWs) bands (ev): -43.5955 -43.5955 -43.5720 -43.5720 -16.8775 -16.8775 -16.7829 -16.7829 -2.8789 -2.8789 -2.6777 -2.6777 -2.4875 -2.4875 -2.1886 -2.1886 -1.7816 -1.7816 -1.6299 -1.6299 7.0669 7.0669 8.2334 8.2334 11.5148 11.5148 k = 0.3413 0.3413-0.0000 ( 6500 PWs) bands (ev): -43.5967 -43.5967 -43.5710 -43.5710 -16.8818 -16.8818 -16.7778 -16.7778 -2.8774 -2.8774 -2.6554 -2.6554 -2.5095 -2.5095 -2.1931 -2.1931 -1.7745 -1.7745 -1.6184 -1.6184 7.0209 7.0209 8.2961 8.2961 11.5383 11.5383 k = 0.3333 0.3333-0.0000 ( 6503 PWs) bands (ev): -43.5980 -43.5980 -43.5699 -43.5699 -16.8862 -16.8862 -16.7726 -16.7726 -2.8759 -2.8759 -2.6323 -2.6323 -2.5311 -2.5311 -2.1977 -2.1977 -1.7671 -1.7671 -1.6074 -1.6074 6.9731 6.9731 8.3581 8.3581 11.5630 11.5630 k = 0.3254 0.3254-0.0000 ( 6495 PWs) bands (ev): -43.5994 -43.5994 -43.5688 -43.5688 -16.8907 -16.8907 -16.7672 -16.7672 -2.8744 -2.8744 -2.6086 -2.6086 -2.5522 -2.5522 -2.2023 -2.2023 -1.7594 -1.7594 -1.5970 -1.5970 6.9234 6.9234 8.4186 8.4186 11.5889 11.5889 k = 0.3175 0.3175-0.0000 ( 6499 PWs) bands (ev): -43.6008 -43.6008 -43.5676 -43.5676 -16.8954 -16.8954 -16.7617 -16.7617 -2.8728 -2.8728 -2.5851 -2.5851 -2.5718 -2.5718 -2.2069 -2.2069 -1.7516 -1.7516 -1.5871 -1.5871 6.8719 6.8719 8.4766 8.4766 11.5063 11.5063 k = 0.3095 0.3095-0.0000 ( 6497 PWs) bands (ev): -43.6022 -43.6022 -43.5664 -43.5664 -16.9002 -16.9002 -16.7560 -16.7560 -2.8713 -2.8713 -2.5936 -2.5936 -2.5583 -2.5583 -2.2112 -2.2112 -1.7436 -1.7436 -1.5777 -1.5777 6.8188 6.8188 8.5312 8.5312 11.4184 11.4184 k = 0.3016 0.3016-0.0000 ( 6509 PWs) bands (ev): -43.6036 -43.6036 -43.5652 -43.5652 -16.9050 -16.9050 -16.7503 -16.7503 -2.8697 -2.8697 -2.6128 -2.6128 -2.5332 -2.5332 -2.2152 -2.2152 -1.7355 -1.7355 -1.5689 -1.5689 6.7641 6.7641 8.5811 8.5811 11.3392 11.3392 k = 0.2937 0.2937-0.0000 ( 6509 PWs) bands (ev): -43.6051 -43.6051 -43.5640 -43.5640 -16.9099 -16.9099 -16.7444 -16.7444 -2.8682 -2.8682 -2.6315 -2.6315 -2.5078 -2.5078 -2.2186 -2.2186 -1.7272 -1.7272 -1.5607 -1.5607 6.7080 6.7080 8.6251 8.6251 11.2700 11.2700 k = 0.2857 0.2857-0.0000 ( 6509 PWs) bands (ev): -43.6066 -43.6066 -43.5628 -43.5628 -16.9149 -16.9149 -16.7385 -16.7385 -2.8666 -2.8666 -2.6496 -2.6496 -2.4826 -2.4826 -2.2212 -2.2212 -1.7188 -1.7188 -1.5531 -1.5531 6.6505 6.6505 8.6620 8.6620 11.2120 11.2120 k = 0.2778 0.2778-0.0000 ( 6509 PWs) bands (ev): -43.6081 -43.6081 -43.5615 -43.5615 -16.9199 -16.9199 -16.7325 -16.7325 -2.8651 -2.8651 -2.6669 -2.6669 -2.4580 -2.4580 -2.2226 -2.2226 -1.7104 -1.7104 -1.5461 -1.5461 6.5917 6.5917 8.6907 8.6907 11.1664 11.1664 k = 0.2698 0.2698-0.0000 ( 6501 PWs) bands (ev): -43.6096 -43.6096 -43.5603 -43.5603 -16.9250 -16.9250 -16.7264 -16.7264 -2.8636 -2.8636 -2.6834 -2.6834 -2.4347 -2.4347 -2.2222 -2.2222 -1.7018 -1.7018 -1.5396 -1.5396 6.5318 6.5318 8.7101 8.7101 11.1340 11.1340 k = 0.2619 0.2619-0.0000 ( 6501 PWs) bands (ev): -43.6111 -43.6111 -43.5590 -43.5590 -16.9301 -16.9301 -16.7203 -16.7203 -2.8621 -2.8621 -2.6991 -2.6991 -2.4136 -2.4136 -2.2190 -2.2190 -1.6932 -1.6932 -1.5338 -1.5338 6.4710 6.4710 8.7196 8.7196 11.1156 11.1156 k = 0.2540 0.2540-0.0000 ( 6501 PWs) bands (ev): -43.6126 -43.6126 -43.5577 -43.5577 -16.9352 -16.9352 -16.7142 -16.7142 -2.8606 -2.8606 -2.7140 -2.7140 -2.3955 -2.3955 -2.2124 -2.2124 -1.6846 -1.6846 -1.5287 -1.5287 6.4093 6.4093 8.7188 8.7188 11.1113 11.1113 k = 0.2460 0.2460-0.0000 ( 6501 PWs) bands (ev): -43.6141 -43.6141 -43.5564 -43.5564 -16.9404 -16.9404 -16.7081 -16.7081 -2.8592 -2.8592 -2.7280 -2.7280 -2.3814 -2.3814 -2.2012 -2.2012 -1.6760 -1.6760 -1.5241 -1.5241 6.3469 6.3469 8.7079 8.7079 11.1209 11.1209 k = 0.2381 0.2381-0.0000 ( 6499 PWs) bands (ev): -43.6157 -43.6157 -43.5552 -43.5552 -16.9455 -16.9455 -16.7020 -16.7020 -2.8578 -2.8578 -2.7411 -2.7411 -2.3717 -2.3717 -2.1853 -2.1853 -1.6673 -1.6673 -1.5202 -1.5202 6.2839 6.2839 8.6874 8.6874 11.1437 11.1437 k = 0.2302 0.2302-0.0000 ( 6495 PWs) bands (ev): -43.6172 -43.6172 -43.5539 -43.5539 -16.9505 -16.9505 -16.6959 -16.6959 -2.8565 -2.8565 -2.7533 -2.7533 -2.3662 -2.3662 -2.1649 -2.1649 -1.6588 -1.6588 -1.5169 -1.5169 6.2205 6.2205 8.6582 8.6582 11.1788 11.1788 k = 0.2222 0.2222-0.0000 ( 6493 PWs) bands (ev): -43.6187 -43.6187 -43.5526 -43.5526 -16.9556 -16.9556 -16.6899 -16.6899 -2.8552 -2.8552 -2.7646 -2.7646 -2.3640 -2.3640 -2.1409 -2.1409 -1.6503 -1.6503 -1.5142 -1.5142 6.1568 6.1568 8.6213 8.6213 11.2247 11.2247 k = 0.2143 0.2143-0.0000 ( 6489 PWs) bands (ev): -43.6202 -43.6202 -43.5514 -43.5514 -16.9606 -16.9606 -16.6839 -16.6839 -2.8540 -2.8540 -2.7751 -2.7751 -2.3644 -2.3644 -2.1140 -2.1140 -1.6419 -1.6419 -1.5122 -1.5122 6.0931 6.0931 8.5781 8.5781 11.2802 11.2802 k = 0.2063 0.2063-0.0000 ( 6489 PWs) bands (ev): -43.6217 -43.6217 -43.5501 -43.5501 -16.9655 -16.9655 -16.6780 -16.6780 -2.8529 -2.8529 -2.7846 -2.7846 -2.3666 -2.3666 -2.0852 -2.0852 -1.6335 -1.6335 -1.5107 -1.5107 6.0294 6.0294 8.5297 8.5297 11.3438 11.3438 k = 0.1984 0.1984-0.0000 ( 6485 PWs) bands (ev): -43.6231 -43.6231 -43.5489 -43.5489 -16.9704 -16.9704 -16.6722 -16.6722 -2.8518 -2.8518 -2.7931 -2.7931 -2.3701 -2.3701 -2.0550 -2.0550 -1.6254 -1.6254 -1.5098 -1.5098 5.9660 5.9660 8.4773 8.4773 11.4141 11.4141 k = 0.1905 0.1905-0.0000 ( 6475 PWs) bands (ev): -43.6245 -43.6245 -43.5477 -43.5477 -16.9752 -16.9752 -16.6664 -16.6664 -2.8509 -2.8509 -2.8008 -2.8008 -2.3744 -2.3744 -2.0239 -2.0239 -1.6173 -1.6173 -1.5095 -1.5095 5.9030 5.9030 8.4221 8.4221 11.4896 11.4896 k = 0.1825 0.1825-0.0000 ( 6487 PWs) bands (ev): -43.6259 -43.6259 -43.5465 -43.5465 -16.9798 -16.9798 -16.6608 -16.6608 -2.8501 -2.8501 -2.8075 -2.8075 -2.3793 -2.3793 -1.9923 -1.9923 -1.6095 -1.6095 -1.5098 -1.5098 5.8406 5.8406 8.3649 8.3649 11.5693 11.5693 k = 0.1746 0.1746-0.0000 ( 6487 PWs) bands (ev): -43.6273 -43.6273 -43.5454 -43.5454 -16.9844 -16.9844 -16.6553 -16.6553 -2.8494 -2.8494 -2.8134 -2.8134 -2.3846 -2.3846 -1.9603 -1.9603 -1.6018 -1.6018 -1.5105 -1.5105 5.7790 5.7790 8.3068 8.3068 11.6519 11.6519 k = 0.1667 0.1667-0.0000 ( 6471 PWs) bands (ev): -43.6287 -43.6287 -43.5442 -43.5442 -16.9889 -16.9889 -16.6500 -16.6500 -2.8489 -2.8489 -2.8183 -2.8183 -2.3902 -2.3902 -1.9284 -1.9284 -1.5944 -1.5944 -1.5117 -1.5117 5.7184 5.7184 8.2482 8.2482 11.7365 11.7365 k = 0.1587 0.1587-0.0000 ( 6483 PWs) bands (ev): -43.6300 -43.6300 -43.5431 -43.5431 -16.9932 -16.9932 -16.6448 -16.6448 -2.8485 -2.8485 -2.8223 -2.8223 -2.3959 -2.3959 -1.8966 -1.8966 -1.5872 -1.5872 -1.5134 -1.5134 5.6588 5.6588 8.1900 8.1900 11.8221 11.8221 k = 0.1508 0.1508-0.0000 ( 6483 PWs) bands (ev): -43.6312 -43.6312 -43.5421 -43.5421 -16.9974 -16.9974 -16.6398 -16.6398 -2.8484 -2.8484 -2.8254 -2.8254 -2.4016 -2.4016 -1.8651 -1.8651 -1.5803 -1.5803 -1.5154 -1.5154 5.6007 5.6007 8.1326 8.1326 11.9079 11.9079 k = 0.1429 0.1429-0.0000 ( 6473 PWs) bands (ev): -43.6324 -43.6324 -43.5410 -43.5410 -17.0014 -17.0014 -16.6349 -16.6349 -2.8485 -2.8485 -2.8277 -2.8277 -2.4073 -2.4073 -1.8341 -1.8341 -1.5737 -1.5737 -1.5177 -1.5177 5.5440 5.5440 8.0765 8.0765 11.9931 11.9931 k = 0.1349 0.1349-0.0000 ( 6489 PWs) bands (ev): -43.6336 -43.6336 -43.5401 -43.5401 -17.0053 -17.0053 -16.6303 -16.6303 -2.8488 -2.8488 -2.8293 -2.8293 -2.4129 -2.4129 -1.8038 -1.8038 -1.5675 -1.5675 -1.5203 -1.5203 5.4891 5.4891 8.0221 8.0221 12.0770 12.0771 k = 0.1270 0.1270-0.0000 ( 6493 PWs) bands (ev): -43.6347 -43.6347 -43.5391 -43.5391 -17.0090 -17.0090 -16.6258 -16.6258 -2.8491 -2.8491 -2.8302 -2.8302 -2.4185 -2.4185 -1.7742 -1.7742 -1.5618 -1.5618 -1.5229 -1.5229 5.4360 5.4360 7.9696 7.9696 12.1591 12.1591 k = 0.1190 0.1190-0.0000 ( 6501 PWs) bands (ev): -43.6358 -43.6358 -43.5382 -43.5382 -17.0125 -17.0125 -16.6216 -16.6216 -2.8493 -2.8493 -2.8307 -2.8307 -2.4238 -2.4238 -1.7457 -1.7457 -1.5567 -1.5567 -1.5254 -1.5254 5.3850 5.3850 7.9193 7.9193 12.2386 12.2386 k = 0.1111 0.1111-0.0000 ( 6497 PWs) bands (ev): -43.6368 -43.6368 -43.5374 -43.5374 -17.0158 -17.0158 -16.6175 -16.6175 -2.8495 -2.8495 -2.8308 -2.8308 -2.4289 -2.4289 -1.7182 -1.7182 -1.5526 -1.5526 -1.5274 -1.5274 5.3363 5.3363 7.8716 7.8716 12.3151 12.3151 k = 0.1032 0.1032-0.0000 ( 6503 PWs) bands (ev): -43.6378 -43.6378 -43.5366 -43.5366 -17.0189 -17.0189 -16.6137 -16.6137 -2.8496 -2.8496 -2.8307 -2.8307 -2.4338 -2.4338 -1.6921 -1.6921 -1.5498 -1.5498 -1.5283 -1.5283 5.2900 5.2900 7.8265 7.8265 12.3881 12.3881 k = 0.0952 0.0952-0.0000 ( 6505 PWs) bands (ev): -43.6387 -43.6387 -43.5358 -43.5358 -17.0219 -17.0219 -16.6102 -16.6102 -2.8495 -2.8495 -2.8304 -2.8304 -2.4384 -2.4384 -1.6673 -1.6673 -1.5489 -1.5489 -1.5277 -1.5277 5.2463 5.2463 7.7842 7.7842 12.4571 12.4571 k = 0.0873 0.0873-0.0000 ( 6511 PWs) bands (ev): -43.6395 -43.6395 -43.5351 -43.5351 -17.0246 -17.0246 -16.6069 -16.6069 -2.8493 -2.8493 -2.8301 -2.8301 -2.4428 -2.4428 -1.6442 -1.6442 -1.5496 -1.5496 -1.5257 -1.5257 5.2054 5.2054 7.7449 7.7449 12.5218 12.5218 k = 0.0794 0.0794-0.0000 ( 6503 PWs) bands (ev): -43.6402 -43.6402 -43.5345 -43.5345 -17.0271 -17.0271 -16.6039 -16.6039 -2.8489 -2.8489 -2.8296 -2.8296 -2.4468 -2.4468 -1.6230 -1.6230 -1.5512 -1.5512 -1.5228 -1.5228 5.1675 5.1675 7.7087 7.7087 12.5818 12.5818 k = 0.0714 0.0714-0.0000 ( 6503 PWs) bands (ev): -43.6409 -43.6409 -43.5339 -43.5339 -17.0294 -17.0294 -16.6011 -16.6011 -2.8485 -2.8485 -2.8291 -2.8291 -2.4505 -2.4505 -1.6042 -1.6042 -1.5527 -1.5527 -1.5196 -1.5196 5.1326 5.1326 7.6758 7.6758 12.6368 12.6368 k = 0.0635 0.0635-0.0000 ( 6511 PWs) bands (ev): -43.6416 -43.6416 -43.5334 -43.5334 -17.0315 -17.0315 -16.5986 -16.5986 -2.8480 -2.8480 -2.8285 -2.8285 -2.4539 -2.4539 -1.5885 -1.5885 -1.5530 -1.5530 -1.5164 -1.5164 5.1010 5.1010 7.6460 7.6460 12.6866 12.6866 k = 0.0556 0.0556-0.0000 ( 6505 PWs) bands (ev): -43.6421 -43.6421 -43.5329 -43.5329 -17.0333 -17.0333 -16.5964 -16.5964 -2.8475 -2.8475 -2.8280 -2.8280 -2.4569 -2.4569 -1.5780 -1.5780 -1.5501 -1.5501 -1.5132 -1.5132 5.0728 5.0728 7.6197 7.6197 12.7309 12.7309 k = 0.0476 0.0476-0.0000 ( 6503 PWs) bands (ev): -43.6426 -43.6426 -43.5325 -43.5325 -17.0349 -17.0349 -16.5945 -16.5945 -2.8470 -2.8470 -2.8275 -2.8275 -2.4595 -2.4595 -1.5738 -1.5738 -1.5430 -1.5430 -1.5102 -1.5102 5.0481 5.0481 7.5967 7.5967 12.7696 12.7696 k = 0.0397 0.0397-0.0000 ( 6503 PWs) bands (ev): -43.6430 -43.6430 -43.5321 -43.5321 -17.0363 -17.0363 -16.5928 -16.5928 -2.8465 -2.8465 -2.8270 -2.8270 -2.4618 -2.4618 -1.5733 -1.5733 -1.5343 -1.5343 -1.5071 -1.5071 5.0270 5.0270 7.5772 7.5772 12.8024 12.8025 k = 0.0317 0.0317-0.0000 ( 6499 PWs) bands (ev): -43.6433 -43.6433 -43.5319 -43.5319 -17.0374 -17.0374 -16.5915 -16.5915 -2.8461 -2.8461 -2.8266 -2.8266 -2.4636 -2.4636 -1.5740 -1.5740 -1.5266 -1.5266 -1.5040 -1.5040 5.0096 5.0096 7.5612 7.5612 12.8293 12.8294 k = 0.0238 0.0238-0.0000 ( 6511 PWs) bands (ev): -43.6436 -43.6436 -43.5316 -43.5316 -17.0383 -17.0383 -16.5904 -16.5904 -2.8458 -2.8458 -2.8262 -2.8262 -2.4651 -2.4651 -1.5749 -1.5749 -1.5209 -1.5209 -1.5009 -1.5009 4.9959 4.9959 7.5488 7.5488 12.8499 12.8501 k = 0.0159 0.0159-0.0000 ( 6515 PWs) bands (ev): -43.6438 -43.6438 -43.5315 -43.5315 -17.0389 -17.0389 -16.5897 -16.5897 -2.8455 -2.8455 -2.8259 -2.8259 -2.4661 -2.4661 -1.5757 -1.5757 -1.5172 -1.5172 -1.4982 -1.4982 4.9862 4.9862 7.5399 7.5399 12.8641 12.8642 k = 0.0079 0.0079-0.0000 ( 6515 PWs) bands (ev): -43.6440 -43.6440 -43.5314 -43.5314 -17.0393 -17.0393 -16.5892 -16.5892 -2.8454 -2.8454 -2.8258 -2.8258 -2.4667 -2.4667 -1.5763 -1.5763 -1.5152 -1.5152 -1.4963 -1.4963 4.9803 4.9803 7.5345 7.5345 12.8713 12.8715 k = 0.0000 0.0000 0.0000 ( 6519 PWs) bands (ev): -43.6440 -43.6440 -43.5313 -43.5313 -17.0394 -17.0394 -16.5891 -16.5891 -2.8453 -2.8453 -2.8257 -2.8257 -2.4669 -2.4669 -1.5764 -1.5764 -1.5146 -1.5146 -1.4956 -1.4956 4.9783 4.9783 7.5327 7.5327 12.8733 12.8738 k = 0.0000 0.0000 0.0000 ( 6519 PWs) bands (ev): -43.6440 -43.6440 -43.5313 -43.5313 -17.0394 -17.0394 -16.5891 -16.5891 -2.8453 -2.8453 -2.8257 -2.8257 -2.4669 -2.4669 -1.5764 -1.5764 -1.5146 -1.5146 -1.4956 -1.4956 4.9783 4.9783 7.5327 7.5327 12.8732 12.8734 k = 0.0000 0.0000 0.0111 ( 6515 PWs) bands (ev): -43.6440 -43.6440 -43.5313 -43.5313 -17.0393 -17.0393 -16.5892 -16.5892 -2.8451 -2.8451 -2.8255 -2.8255 -2.4670 -2.4670 -1.5773 -1.5773 -1.5148 -1.5148 -1.4958 -1.4958 4.9804 4.9804 7.5336 7.5336 12.8730 12.8731 k = 0.0000 0.0000 0.0221 ( 6499 PWs) bands (ev): -43.6440 -43.6440 -43.5313 -43.5313 -17.0388 -17.0388 -16.5896 -16.5896 -2.8445 -2.8445 -2.8249 -2.8249 -2.4671 -2.4671 -1.5800 -1.5800 -1.5157 -1.5157 -1.4965 -1.4965 4.9865 4.9865 7.5361 7.5361 12.8725 12.8747 k = 0.0000 0.0000 0.0332 ( 6491 PWs) bands (ev): -43.6440 -43.6440 -43.5313 -43.5313 -17.0381 -17.0381 -16.5902 -16.5902 -2.8434 -2.8434 -2.8238 -2.8238 -2.4674 -2.4674 -1.5845 -1.5845 -1.5170 -1.5170 -1.4976 -1.4976 4.9967 4.9967 7.5404 7.5404 12.8710 12.8713 k = 0.0000 0.0000 0.0443 ( 6491 PWs) bands (ev): -43.6440 -43.6440 -43.5313 -43.5313 -17.0371 -17.0371 -16.5911 -16.5911 -2.8419 -2.8419 -2.8223 -2.8223 -2.4677 -2.4677 -1.5908 -1.5908 -1.5189 -1.5189 -1.4991 -1.4991 5.0108 5.0108 7.5463 7.5463 12.8692 12.8702 k = 0.0000 0.0000 0.0553 ( 6523 PWs) bands (ev): -43.6440 -43.6440 -43.5314 -43.5314 -17.0359 -17.0359 -16.5923 -16.5923 -2.8401 -2.8401 -2.8204 -2.8204 -2.4681 -2.4681 -1.5988 -1.5988 -1.5212 -1.5212 -1.5011 -1.5011 5.0288 5.0288 7.5538 7.5538 12.8671 12.8671 k = 0.0000 0.0000 0.0664 ( 6527 PWs) bands (ev): -43.6440 -43.6440 -43.5314 -43.5314 -17.0343 -17.0343 -16.5937 -16.5937 -2.8378 -2.8378 -2.8182 -2.8182 -2.4685 -2.4685 -1.6086 -1.6086 -1.5240 -1.5240 -1.5035 -1.5035 5.0507 5.0507 7.5628 7.5628 12.8644 12.8647 k = 0.0000 0.0000 0.0775 ( 6515 PWs) bands (ev): -43.6439 -43.6439 -43.5314 -43.5314 -17.0325 -17.0325 -16.5954 -16.5954 -2.8351 -2.8351 -2.8155 -2.8155 -2.4689 -2.4689 -1.6200 -1.6200 -1.5271 -1.5271 -1.5063 -1.5063 5.0761 5.0761 7.5733 7.5733 12.8612 12.8614 k = 0.0000 0.0000 0.0885 ( 6511 PWs) bands (ev): -43.6439 -43.6439 -43.5314 -43.5314 -17.0304 -17.0304 -16.5973 -16.5973 -2.8321 -2.8321 -2.8125 -2.8125 -2.4694 -2.4694 -1.6331 -1.6331 -1.5306 -1.5306 -1.5095 -1.5095 5.1050 5.1050 7.5851 7.5851 12.8577 12.8578 k = 0.0000 0.0000 0.0996 ( 6499 PWs) bands (ev): -43.6439 -43.6439 -43.5314 -43.5314 -17.0281 -17.0281 -16.5994 -16.5994 -2.8287 -2.8287 -2.8091 -2.8091 -2.4698 -2.4698 -1.6476 -1.6476 -1.5344 -1.5344 -1.5130 -1.5130 5.1373 5.1373 7.5981 7.5981 12.8537 12.8542 k = 0.0000 0.0000 0.1107 ( 6499 PWs) bands (ev): -43.6439 -43.6439 -43.5314 -43.5314 -17.0256 -17.0256 -16.6017 -16.6017 -2.8250 -2.8250 -2.8053 -2.8053 -2.4702 -2.4702 -1.6636 -1.6636 -1.5386 -1.5386 -1.5169 -1.5169 5.1726 5.1726 7.6123 7.6123 12.7961 12.7961 k = 0.0000 0.0000 0.1217 ( 6499 PWs) bands (ev): -43.6439 -43.6439 -43.5314 -43.5314 -17.0228 -17.0228 -16.6043 -16.6043 -2.8210 -2.8210 -2.8013 -2.8013 -2.4705 -2.4705 -1.6808 -1.6808 -1.5430 -1.5430 -1.5212 -1.5212 5.2108 5.2108 7.6275 7.6275 12.7402 12.7402 k = 0.0000 0.0000 0.1328 ( 6491 PWs) bands (ev): -43.6439 -43.6439 -43.5313 -43.5313 -17.0198 -17.0198 -16.6071 -16.6071 -2.8166 -2.8166 -2.7969 -2.7969 -2.4707 -2.4707 -1.6993 -1.6993 -1.5478 -1.5478 -1.5257 -1.5257 5.2516 5.2516 7.6435 7.6435 12.6849 12.6850 k = 0.0000 0.0000 0.1439 ( 6491 PWs) bands (ev): -43.6439 -43.6439 -43.5314 -43.5314 -17.0166 -17.0166 -16.6100 -16.6100 -2.8120 -2.8120 -2.7923 -2.7923 -2.4708 -2.4708 -1.7188 -1.7188 -1.5527 -1.5527 -1.5305 -1.5305 5.2949 5.2949 7.6602 7.6602 12.6306 12.6306 k = 0.0000 0.0000 0.1549 ( 6491 PWs) bands (ev): -43.6439 -43.6439 -43.5314 -43.5314 -17.0132 -17.0132 -16.6132 -16.6132 -2.8072 -2.8072 -2.7875 -2.7875 -2.4706 -2.4706 -1.7392 -1.7392 -1.5579 -1.5579 -1.5356 -1.5356 5.3402 5.3402 7.6774 7.6774 12.5775 12.5775 k = 0.0000 0.0000 0.1660 ( 6491 PWs) bands (ev): -43.6439 -43.6439 -43.5314 -43.5314 -17.0096 -17.0096 -16.6165 -16.6165 -2.8022 -2.8022 -2.7824 -2.7824 -2.4703 -2.4703 -1.7604 -1.7604 -1.5633 -1.5633 -1.5409 -1.5409 5.3875 5.3875 7.6950 7.6950 12.5258 12.5258 k = 0.0000 0.0000 0.1771 ( 6499 PWs) bands (ev): -43.6439 -43.6439 -43.5314 -43.5314 -17.0058 -17.0058 -16.6200 -16.6200 -2.7969 -2.7969 -2.7772 -2.7772 -2.4697 -2.4697 -1.7823 -1.7823 -1.5689 -1.5689 -1.5464 -1.5464 5.4362 5.4362 7.7128 7.7128 12.4757 12.4757 k = 0.0000 0.0000 0.1881 ( 6494 PWs) bands (ev): -43.6439 -43.6439 -43.5314 -43.5314 -17.0019 -17.0019 -16.6236 -16.6236 -2.7916 -2.7916 -2.7718 -2.7718 -2.4688 -2.4688 -1.8047 -1.8047 -1.5746 -1.5746 -1.5520 -1.5520 5.4862 5.4862 7.7306 7.7306 12.4273 12.4273 k = 0.0000 0.0000 0.1992 ( 6490 PWs) bands (ev): -43.6439 -43.6439 -43.5313 -43.5313 -16.9979 -16.9979 -16.6273 -16.6273 -2.7861 -2.7861 -2.7663 -2.7663 -2.4676 -2.4676 -1.8276 -1.8276 -1.5804 -1.5804 -1.5577 -1.5577 5.5372 5.5372 7.7483 7.7483 12.3808 12.3808 k = 0.0000 0.0000 0.2103 ( 6490 PWs) bands (ev): -43.6439 -43.6439 -43.5313 -43.5313 -16.9938 -16.9938 -16.6311 -16.6311 -2.7805 -2.7805 -2.7607 -2.7607 -2.4660 -2.4660 -1.8507 -1.8507 -1.5863 -1.5863 -1.5636 -1.5636 5.5887 5.5887 7.7657 7.7657 12.3362 12.3362 k = 0.0000 0.0000 0.2213 ( 6502 PWs) bands (ev): -43.6439 -43.6439 -43.5314 -43.5314 -16.9896 -16.9896 -16.6350 -16.6350 -2.7749 -2.7749 -2.7551 -2.7551 -2.4641 -2.4641 -1.8740 -1.8740 -1.5922 -1.5922 -1.5694 -1.5694 5.6405 5.6405 7.7826 7.7826 12.2937 12.2937 k = 0.0000 0.0000 0.2324 ( 6506 PWs) bands (ev): -43.6439 -43.6439 -43.5314 -43.5314 -16.9854 -16.9854 -16.6390 -16.6390 -2.7693 -2.7693 -2.7495 -2.7495 -2.4617 -2.4617 -1.8973 -1.8973 -1.5981 -1.5981 -1.5753 -1.5753 5.6922 5.6922 7.7988 7.7988 12.2533 12.2533 k = 0.0000 0.0000 0.2434 ( 6506 PWs) bands (ev): -43.6439 -43.6439 -43.5314 -43.5314 -16.9811 -16.9811 -16.6430 -16.6430 -2.7638 -2.7638 -2.7439 -2.7439 -2.4590 -2.4590 -1.9205 -1.9205 -1.6039 -1.6039 -1.5811 -1.5811 5.7435 5.7435 7.8144 7.8144 12.2151 12.2151 k = 0.0000 0.0000 0.2545 ( 6506 PWs) bands (ev): -43.6439 -43.6439 -43.5314 -43.5314 -16.9769 -16.9769 -16.6469 -16.6469 -2.7583 -2.7583 -2.7384 -2.7384 -2.4558 -2.4558 -1.9435 -1.9435 -1.6096 -1.6096 -1.5868 -1.5868 5.7940 5.7940 7.8290 7.8290 12.1791 12.1791 k = 0.0000 0.0000 0.2656 ( 6506 PWs) bands (ev): -43.6439 -43.6439 -43.5314 -43.5314 -16.9727 -16.9727 -16.6509 -16.6509 -2.7530 -2.7530 -2.7331 -2.7331 -2.4522 -2.4522 -1.9662 -1.9662 -1.6152 -1.6152 -1.5923 -1.5923 5.8432 5.8432 7.8427 7.8427 12.1454 12.1454 k = 0.0000 0.0000 0.2766 ( 6522 PWs) bands (ev): -43.6439 -43.6439 -43.5314 -43.5314 -16.9686 -16.9686 -16.6548 -16.6548 -2.7478 -2.7478 -2.7279 -2.7279 -2.4482 -2.4482 -1.9883 -1.9883 -1.6206 -1.6206 -1.5977 -1.5977 5.8910 5.8910 7.8552 7.8552 12.1141 12.1141 k = 0.0000 0.0000 0.2877 ( 6530 PWs) bands (ev): -43.6439 -43.6439 -43.5314 -43.5314 -16.9646 -16.9646 -16.6585 -16.6585 -2.7429 -2.7429 -2.7230 -2.7230 -2.4438 -2.4438 -2.0099 -2.0099 -1.6258 -1.6258 -1.6029 -1.6029 5.9368 5.9368 7.8667 7.8667 12.0851 12.0851 k = 0.0000 0.0000 0.2988 ( 6526 PWs) bands (ev): -43.6439 -43.6439 -43.5314 -43.5314 -16.9607 -16.9607 -16.6622 -16.6622 -2.7382 -2.7382 -2.7183 -2.7183 -2.4390 -2.4390 -2.0307 -2.0307 -1.6307 -1.6307 -1.6078 -1.6078 5.9802 5.9802 7.8770 7.8770 12.0586 12.0586 k = 0.0000 0.0000 0.3098 ( 6522 PWs) bands (ev): -43.6439 -43.6439 -43.5314 -43.5314 -16.9570 -16.9570 -16.6656 -16.6656 -2.7338 -2.7338 -2.7139 -2.7139 -2.4340 -2.4340 -2.0505 -2.0505 -1.6353 -1.6353 -1.6123 -1.6123 6.0210 6.0210 7.8861 7.8861 12.0345 12.0345 k = 0.0000 0.0000 0.3209 ( 6506 PWs) bands (ev): -43.6438 -43.6438 -43.5314 -43.5314 -16.9536 -16.9536 -16.6689 -16.6689 -2.7297 -2.7297 -2.7098 -2.7098 -2.4286 -2.4286 -2.0693 -2.0693 -1.6395 -1.6395 -1.6166 -1.6166 6.0587 6.0587 7.8941 7.8941 12.0129 12.0129 k = 0.0000 0.0000 0.3320 ( 6506 PWs) bands (ev): -43.6438 -43.6438 -43.5314 -43.5314 -16.9504 -16.9504 -16.6719 -16.6719 -2.7261 -2.7261 -2.7062 -2.7062 -2.4232 -2.4232 -2.0868 -2.0868 -1.6433 -1.6433 -1.6204 -1.6204 6.0930 6.0930 7.9009 7.9009 11.9937 11.9937 k = 0.0000 0.0000 0.3430 ( 6498 PWs) bands (ev): -43.6438 -43.6438 -43.5314 -43.5314 -16.9476 -16.9476 -16.6746 -16.6746 -2.7228 -2.7228 -2.7029 -2.7029 -2.4178 -2.4178 -2.1028 -2.1028 -1.6467 -1.6467 -1.6238 -1.6238 6.1235 6.1235 7.9066 7.9066 11.9771 11.9771 k = 0.0000 0.0000 0.3541 ( 6498 PWs) bands (ev): -43.6438 -43.6438 -43.5314 -43.5314 -16.9451 -16.9451 -16.6770 -16.6770 -2.7200 -2.7200 -2.7001 -2.7001 -2.4126 -2.4126 -2.1171 -2.1171 -1.6497 -1.6497 -1.6267 -1.6267 6.1500 6.1500 7.9113 7.9113 11.9630 11.9630 k = 0.0000 0.0000 0.3652 ( 6498 PWs) bands (ev): -43.6438 -43.6438 -43.5314 -43.5314 -16.9430 -16.9430 -16.6790 -16.6790 -2.7176 -2.7176 -2.6977 -2.6977 -2.4078 -2.4078 -2.1294 -2.1294 -1.6521 -1.6521 -1.6292 -1.6292 6.1720 6.1720 7.9150 7.9150 11.9515 11.9515 k = 0.0000 0.0000 0.3762 ( 6506 PWs) bands (ev): -43.6438 -43.6438 -43.5314 -43.5314 -16.9413 -16.9413 -16.6805 -16.6805 -2.7158 -2.7158 -2.6959 -2.6959 -2.4037 -2.4037 -2.1394 -2.1394 -1.6540 -1.6540 -1.6311 -1.6311 6.1895 6.1895 7.9178 7.9178 11.9425 11.9425 k = 0.0000 0.0000 0.3873 ( 6498 PWs) bands (ev): -43.6438 -43.6438 -43.5314 -43.5314 -16.9401 -16.9401 -16.6817 -16.6817 -2.7144 -2.7144 -2.6945 -2.6945 -2.4005 -2.4005 -2.1469 -2.1469 -1.6554 -1.6554 -1.6325 -1.6325 6.2021 6.2021 7.9198 7.9198 11.9361 11.9361 k = 0.0000 0.0000 0.3984 ( 6482 PWs) bands (ev): -43.6438 -43.6438 -43.5314 -43.5314 -16.9393 -16.9393 -16.6824 -16.6824 -2.7136 -2.7136 -2.6937 -2.6937 -2.3985 -2.3985 -2.1514 -2.1514 -1.6563 -1.6563 -1.6333 -1.6333 6.2097 6.2097 7.9210 7.9210 11.9322 11.9322 k = 0.0000 0.0000 0.4094 ( 6498 PWs) bands (ev): -43.6438 -43.6438 -43.5314 -43.5314 -16.9391 -16.9391 -16.6826 -16.6826 -2.7134 -2.7134 -2.6935 -2.6935 -2.3978 -2.3978 -2.1530 -2.1530 -1.6565 -1.6565 -1.6336 -1.6336 6.2122 6.2122 7.9213 7.9213 11.9309 11.9309 k = 0.0000 0.0000 0.4094 ( 6498 PWs) bands (ev): -43.6438 -43.6438 -43.5314 -43.5314 -16.9391 -16.9391 -16.6826 -16.6826 -2.7134 -2.7134 -2.6935 -2.6935 -2.3978 -2.3978 -2.1530 -2.1530 -1.6565 -1.6565 -1.6336 -1.6336 6.2122 6.2122 7.9213 7.9213 11.9309 11.9309 k = 0.0000 0.0111 0.4094 ( 6474 PWs) bands (ev): -43.6438 -43.6438 -43.5314 -43.5314 -16.9390 -16.9390 -16.6827 -16.6827 -2.7163 -2.7163 -2.6957 -2.6957 -2.3920 -2.3920 -2.1540 -2.1540 -1.6566 -1.6566 -1.6336 -1.6336 6.2134 6.2134 7.9228 7.9228 11.9276 11.9276 k = 0.0000 0.0222 0.4094 ( 6474 PWs) bands (ev): -43.6437 -43.6437 -43.5315 -43.5315 -16.9388 -16.9388 -16.6829 -16.6829 -2.7282 -2.7282 -2.6983 -2.6983 -2.3756 -2.3756 -2.1569 -2.1569 -1.6567 -1.6567 -1.6338 -1.6338 6.2168 6.2168 7.9271 7.9271 11.9177 11.9177 k = 0.0000 0.0333 0.4094 ( 6478 PWs) bands (ev): -43.6435 -43.6435 -43.5316 -43.5316 -16.9385 -16.9385 -16.6833 -16.6833 -2.7496 -2.7496 -2.6979 -2.6979 -2.3515 -2.3515 -2.1617 -2.1617 -1.6569 -1.6569 -1.6340 -1.6340 6.2226 6.2226 7.9344 7.9344 11.9012 11.9012 k = 0.0000 0.0444 0.4094 ( 6478 PWs) bands (ev): -43.6432 -43.6432 -43.5318 -43.5318 -16.9380 -16.9380 -16.6839 -16.6839 -2.7769 -2.7769 -2.6958 -2.6958 -2.3220 -2.3220 -2.1685 -2.1685 -1.6574 -1.6574 -1.6343 -1.6343 6.2307 6.2307 7.9445 7.9445 11.8784 11.8784 k = 0.0000 0.0556 0.4094 ( 6486 PWs) bands (ev): -43.6429 -43.6429 -43.5321 -43.5321 -16.9373 -16.9373 -16.6846 -16.6846 -2.8076 -2.8076 -2.6924 -2.6924 -2.2892 -2.2892 -2.1771 -2.1771 -1.6580 -1.6580 -1.6344 -1.6344 6.2410 6.2410 7.9575 7.9575 11.8496 11.8496 k = 0.0000 0.0667 0.4094 ( 6486 PWs) bands (ev): -43.6425 -43.6425 -43.5325 -43.5325 -16.9366 -16.9366 -16.6855 -16.6855 -2.8401 -2.8401 -2.6880 -2.6880 -2.2545 -2.2545 -2.1873 -2.1873 -1.6590 -1.6590 -1.6344 -1.6344 6.2538 6.2538 7.9733 7.9733 11.8148 11.8148 k = 0.0000 0.0778 0.4094 ( 6496 PWs) bands (ev): -43.6420 -43.6420 -43.5329 -43.5329 -16.9357 -16.9357 -16.6865 -16.6865 -2.8737 -2.8737 -2.6828 -2.6828 -2.2203 -2.2203 -2.1977 -2.1977 -1.6605 -1.6605 -1.6341 -1.6341 6.2688 6.2688 7.9919 7.9919 11.7745 11.7745 k = 0.0000 0.0889 0.4094 ( 6504 PWs) bands (ev): -43.6415 -43.6415 -43.5333 -43.5333 -16.9346 -16.9346 -16.6877 -16.6877 -2.9075 -2.9075 -2.6767 -2.6767 -2.2166 -2.2166 -2.1785 -2.1785 -1.6624 -1.6624 -1.6335 -1.6335 6.2862 6.2862 8.0133 8.0133 11.7290 11.7290 k = 0.0000 0.1000 0.4094 ( 6508 PWs) bands (ev): -43.6409 -43.6409 -43.5339 -43.5339 -16.9334 -16.9334 -16.6890 -16.6890 -2.9413 -2.9413 -2.6699 -2.6699 -2.2317 -2.2317 -2.1422 -2.1422 -1.6649 -1.6649 -1.6325 -1.6325 6.3059 6.3059 8.0374 8.0374 11.6785 11.6785 k = 0.0000 0.1111 0.4094 ( 6512 PWs) bands (ev): -43.6402 -43.6402 -43.5345 -43.5345 -16.9321 -16.9321 -16.6905 -16.6905 -2.9747 -2.9747 -2.6622 -2.6622 -2.2492 -2.2492 -2.1052 -2.1052 -1.6680 -1.6680 -1.6311 -1.6311 6.3280 6.3280 8.0641 8.0641 11.6235 11.6235 k = 0.0000 0.1222 0.4094 ( 6512 PWs) bands (ev): -43.6394 -43.6394 -43.5351 -43.5351 -16.9306 -16.9306 -16.6921 -16.6921 -3.0076 -3.0076 -2.6537 -2.6537 -2.2685 -2.2685 -2.0683 -2.0683 -1.6715 -1.6715 -1.6293 -1.6293 6.3525 6.3525 8.0934 8.0934 11.5643 11.5643 k = 0.0000 0.1333 0.4094 ( 6524 PWs) bands (ev): -43.6386 -43.6386 -43.5358 -43.5358 -16.9290 -16.9290 -16.6939 -16.6939 -3.0396 -3.0396 -2.6445 -2.6445 -2.2894 -2.2894 -2.0318 -2.0318 -1.6757 -1.6757 -1.6272 -1.6272 6.3793 6.3793 8.1253 8.1253 11.5011 11.5011 k = 0.0000 0.1444 0.4094 ( 6524 PWs) bands (ev): -43.6377 -43.6377 -43.5366 -43.5366 -16.9273 -16.9273 -16.6958 -16.6958 -3.0708 -3.0708 -2.6346 -2.6346 -2.3118 -2.3118 -1.9958 -1.9958 -1.6803 -1.6803 -1.6246 -1.6246 6.4085 6.4085 8.1597 8.1597 11.4344 11.4344 k = 0.0000 0.1556 0.4094 ( 6522 PWs) bands (ev): -43.6368 -43.6368 -43.5374 -43.5374 -16.9254 -16.9254 -16.6979 -16.6979 -3.1009 -3.1009 -2.6240 -2.6240 -2.3357 -2.3357 -1.9607 -1.9607 -1.6854 -1.6854 -1.6217 -1.6217 6.4402 6.4402 8.1966 8.1966 11.3643 11.3643 k = 0.0000 0.1667 0.4094 ( 6522 PWs) bands (ev): -43.6357 -43.6357 -43.5383 -43.5383 -16.9234 -16.9234 -16.7001 -16.7001 -3.1298 -3.1298 -2.6126 -2.6126 -2.3609 -2.3609 -1.9263 -1.9263 -1.6910 -1.6910 -1.6185 -1.6185 6.4742 6.4742 8.2357 8.2357 11.2911 11.2911 k = 0.0000 0.1778 0.4094 ( 6520 PWs) bands (ev): -43.6346 -43.6346 -43.5392 -43.5392 -16.9213 -16.9213 -16.7024 -16.7024 -3.1575 -3.1575 -2.6006 -2.6006 -2.3874 -2.3874 -1.8930 -1.8930 -1.6971 -1.6971 -1.6150 -1.6150 6.5107 6.5107 8.2772 8.2772 11.2152 11.2152 k = 0.0000 0.1889 0.4094 ( 6522 PWs) bands (ev): -43.6335 -43.6335 -43.5402 -43.5402 -16.9190 -16.9190 -16.7049 -16.7049 -3.1839 -3.1839 -2.5880 -2.5880 -2.4150 -2.4150 -1.8607 -1.8607 -1.7037 -1.7037 -1.6112 -1.6112 6.5495 6.5495 8.3209 8.3209 11.1367 11.1367 k = 0.0000 0.2000 0.4094 ( 6526 PWs) bands (ev): -43.6323 -43.6323 -43.5413 -43.5413 -16.9166 -16.9166 -16.7076 -16.7076 -3.2090 -3.2090 -2.5748 -2.5748 -2.4436 -2.4436 -1.8296 -1.8296 -1.7107 -1.7107 -1.6071 -1.6071 6.5908 6.5908 8.3668 8.3668 11.0559 11.0559 k = 0.0000 0.2111 0.4094 ( 6522 PWs) bands (ev): -43.6310 -43.6310 -43.5424 -43.5424 -16.9141 -16.9141 -16.7103 -16.7103 -3.2325 -3.2325 -2.5611 -2.5611 -2.4730 -2.4730 -1.7998 -1.7998 -1.7180 -1.7180 -1.6028 -1.6028 6.6345 6.6345 8.4147 8.4147 10.9729 10.9729 k = 0.0000 0.2222 0.4094 ( 6522 PWs) bands (ev): -43.6297 -43.6297 -43.5435 -43.5435 -16.9114 -16.9114 -16.7132 -16.7132 -3.2546 -3.2546 -2.5473 -2.5473 -2.5029 -2.5029 -1.7717 -1.7717 -1.7253 -1.7253 -1.5982 -1.5982 6.6805 6.6805 8.4646 8.4646 10.8881 10.8881 k = 0.0000 0.2333 0.4094 ( 6522 PWs) bands (ev): -43.6284 -43.6284 -43.5447 -43.5447 -16.9087 -16.9087 -16.7162 -16.7162 -3.2752 -3.2752 -2.5414 -2.5414 -2.5250 -2.5250 -1.7486 -1.7486 -1.7295 -1.7295 -1.5933 -1.5933 6.7290 6.7290 8.5164 8.5164 10.8014 10.8014 k = 0.0000 0.2444 0.4094 ( 6516 PWs) bands (ev): -43.6269 -43.6269 -43.5460 -43.5460 -16.9058 -16.9058 -16.7194 -16.7194 -3.2941 -3.2941 -2.5687 -2.5687 -2.5141 -2.5141 -1.7474 -1.7474 -1.7135 -1.7135 -1.5882 -1.5882 6.7798 6.7798 8.5701 8.5701 10.7132 10.7132 k = 0.0000 0.2556 0.4094 ( 6520 PWs) bands (ev): -43.6255 -43.6255 -43.5473 -43.5473 -16.9028 -16.9028 -16.7226 -16.7226 -3.3114 -3.3114 -2.6007 -2.6007 -2.4985 -2.4985 -1.7557 -1.7557 -1.6900 -1.6900 -1.5830 -1.5830 6.8330 6.8330 8.6255 8.6255 10.6235 10.6235 k = 0.0000 0.2667 0.4094 ( 6524 PWs) bands (ev): -43.6240 -43.6240 -43.5486 -43.5486 -16.8997 -16.8997 -16.7260 -16.7260 -3.3271 -3.3271 -2.6334 -2.6334 -2.4822 -2.4822 -1.7653 -1.7653 -1.6669 -1.6669 -1.5775 -1.5775 6.8885 6.8885 8.6826 8.6826 10.5326 10.5326 k = 0.0000 0.2778 0.4094 ( 6520 PWs) bands (ev): -43.6224 -43.6224 -43.5500 -43.5500 -16.8965 -16.8965 -16.7295 -16.7295 -3.3410 -3.3410 -2.6666 -2.6666 -2.4652 -2.4652 -1.7757 -1.7757 -1.6450 -1.6450 -1.5719 -1.5719 6.9463 6.9463 8.7413 8.7413 10.4406 10.4406 k = 0.0000 0.2889 0.4094 ( 6520 PWs) bands (ev): -43.6208 -43.6208 -43.5515 -43.5515 -16.8931 -16.8931 -16.7331 -16.7331 -3.3533 -3.3533 -2.7001 -2.7001 -2.4479 -2.4479 -1.7867 -1.7867 -1.6244 -1.6244 -1.5662 -1.5662 7.0064 7.0064 8.8014 8.8014 10.3476 10.3476 k = 0.0000 0.3000 0.4094 ( 6512 PWs) bands (ev): -43.6191 -43.6191 -43.5530 -43.5530 -16.8897 -16.8897 -16.7368 -16.7368 -3.3638 -3.3638 -2.7337 -2.7337 -2.4301 -2.4301 -1.7981 -1.7981 -1.6053 -1.6053 -1.5603 -1.5603 7.0688 7.0688 8.8630 8.8630 10.2538 10.2538 k = 0.0000 0.3111 0.4094 ( 6506 PWs) bands (ev): -43.6174 -43.6174 -43.5545 -43.5545 -16.8861 -16.8861 -16.7406 -16.7406 -3.3726 -3.3726 -2.7674 -2.7674 -2.4120 -2.4120 -1.8101 -1.8101 -1.5875 -1.5875 -1.5544 -1.5544 7.1333 7.1333 8.9258 8.9258 10.1593 10.1593 k = 0.0000 0.3222 0.4094 ( 6506 PWs) bands (ev): -43.6157 -43.6157 -43.5561 -43.5561 -16.8825 -16.8825 -16.7445 -16.7445 -3.3796 -3.3796 -2.8010 -2.8010 -2.3935 -2.3935 -1.8226 -1.8226 -1.5711 -1.5711 -1.5483 -1.5483 7.1999 7.1999 8.9897 8.9897 10.0644 10.0644 k = 0.0000 0.3333 0.4094 ( 6506 PWs) bands (ev): -43.6140 -43.6140 -43.5577 -43.5577 -16.8788 -16.8788 -16.7485 -16.7485 -3.3848 -3.3848 -2.8345 -2.8345 -2.3748 -2.3748 -1.8356 -1.8356 -1.5561 -1.5561 -1.5423 -1.5423 7.2687 7.2687 9.0545 9.0545 9.9692 9.9692 k = 0.0000 0.3444 0.4094 ( 6502 PWs) bands (ev): -43.6122 -43.6122 -43.5593 -43.5593 -16.8749 -16.8749 -16.7525 -16.7525 -3.3883 -3.3883 -2.8677 -2.8677 -2.3558 -2.3558 -1.8491 -1.8491 -1.5425 -1.5425 -1.5362 -1.5362 7.3395 7.3395 9.1200 9.1200 9.8742 9.8742 k = 0.0000 0.3556 0.4094 ( 6508 PWs) bands (ev): -43.6104 -43.6104 -43.5610 -43.5610 -16.8710 -16.8710 -16.7566 -16.7566 -3.3900 -3.3900 -2.9006 -2.9006 -2.3365 -2.3365 -1.8631 -1.8631 -1.5310 -1.5310 -1.5293 -1.5293 7.4123 7.4123 9.1855 9.1855 9.7798 9.7798 k = 0.0000 0.3667 0.4094 ( 6518 PWs) bands (ev): -43.6085 -43.6085 -43.5627 -43.5627 -16.8670 -16.8670 -16.7608 -16.7608 -3.3899 -3.3899 -2.9330 -2.9330 -2.3171 -2.3171 -1.8775 -1.8775 -1.5245 -1.5245 -1.5189 -1.5189 7.4870 7.4870 9.2499 9.2499 9.6874 9.6874 k = 0.0000 0.3778 0.4094 ( 6522 PWs) bands (ev): -43.6067 -43.6067 -43.5645 -43.5645 -16.8630 -16.8630 -16.7651 -16.7651 -3.3880 -3.3880 -2.9649 -2.9649 -2.2976 -2.2976 -1.8924 -1.8924 -1.5186 -1.5186 -1.5092 -1.5092 7.5636 7.5636 9.3092 9.3092 9.6008 9.6008 k = 0.0000 0.3889 0.4094 ( 6514 PWs) bands (ev): -43.6048 -43.6048 -43.5663 -43.5663 -16.8588 -16.8588 -16.7694 -16.7694 -3.3845 -3.3845 -2.9962 -2.9962 -2.2779 -2.2779 -1.9077 -1.9077 -1.5128 -1.5128 -1.5007 -1.5007 7.6420 7.6420 9.3482 9.3482 9.5353 9.5353 k = 0.0000 0.4000 0.4094 ( 6506 PWs) bands (ev): -43.6028 -43.6028 -43.5681 -43.5681 -16.8546 -16.8546 -16.7738 -16.7738 -3.3792 -3.3792 -3.0267 -3.0267 -2.2581 -2.2581 -1.9235 -1.9235 -1.5073 -1.5073 -1.4934 -1.4934 7.7221 7.7221 9.3260 9.3260 9.5320 9.5320 k = 0.0000 0.4111 0.4094 ( 6496 PWs) bands (ev): -43.6009 -43.6009 -43.5699 -43.5699 -16.8504 -16.8504 -16.7783 -16.7783 -3.3721 -3.3721 -3.0565 -3.0565 -2.2383 -2.2383 -1.9396 -1.9396 -1.5020 -1.5020 -1.4872 -1.4872 7.8039 7.8039 9.2523 9.2523 9.5810 9.5810 k = 0.0000 0.4222 0.4094 ( 6496 PWs) bands (ev): -43.5990 -43.5990 -43.5717 -43.5717 -16.8460 -16.8460 -16.7827 -16.7827 -3.3634 -3.3634 -3.0855 -3.0855 -2.2185 -2.2185 -1.9562 -1.9562 -1.4969 -1.4969 -1.4821 -1.4821 7.8872 7.8872 9.1638 9.1638 9.6457 9.6457 k = 0.0000 0.4333 0.4094 ( 6500 PWs) bands (ev): -43.5970 -43.5970 -43.5736 -43.5736 -16.8417 -16.8417 -16.7872 -16.7872 -3.3531 -3.3531 -3.1135 -3.1135 -2.1987 -2.1987 -1.9732 -1.9732 -1.4922 -1.4922 -1.4781 -1.4781 7.9720 7.9720 9.0711 9.0711 9.7156 9.7156 k = 0.0000 0.4444 0.4094 ( 6502 PWs) bands (ev): -43.5951 -43.5951 -43.5755 -43.5755 -16.8372 -16.8372 -16.7918 -16.7918 -3.3411 -3.3411 -3.1405 -3.1405 -2.1789 -2.1789 -1.9905 -1.9905 -1.4878 -1.4878 -1.4751 -1.4751 8.0583 8.0583 8.9770 8.9770 9.7878 9.7878 k = 0.0000 0.4556 0.4094 ( 6506 PWs) bands (ev): -43.5931 -43.5931 -43.5774 -43.5774 -16.8328 -16.8328 -16.7963 -16.7963 -3.3275 -3.3275 -3.1664 -3.1664 -2.1592 -2.1592 -2.0082 -2.0082 -1.4838 -1.4838 -1.4730 -1.4730 8.1459 8.1459 8.8825 8.8825 9.8613 9.8613 k = 0.0000 0.4667 0.4094 ( 6508 PWs) bands (ev): -43.5911 -43.5911 -43.5794 -43.5794 -16.8283 -16.8283 -16.8009 -16.8009 -3.3123 -3.3123 -3.1911 -3.1911 -2.1396 -2.1396 -2.0262 -2.0262 -1.4803 -1.4803 -1.4718 -1.4718 8.2347 8.2347 8.7880 8.7880 9.9357 9.9357 k = 0.0000 0.4778 0.4094 ( 6508 PWs) bands (ev): -43.5892 -43.5892 -43.5813 -43.5813 -16.8237 -16.8237 -16.8055 -16.8055 -3.2957 -3.2957 -3.2147 -3.2147 -2.1202 -2.1202 -2.0445 -2.0445 -1.4773 -1.4773 -1.4715 -1.4715 8.3247 8.3247 8.6940 8.6940 10.0108 10.0108 k = 0.0000 0.4889 0.4094 ( 6512 PWs) bands (ev): -43.5872 -43.5872 -43.5833 -43.5833 -16.8192 -16.8192 -16.8100 -16.8100 -3.2775 -3.2775 -3.2370 -3.2370 -2.1009 -2.1009 -2.0630 -2.0630 -1.4749 -1.4749 -1.4719 -1.4719 8.4157 8.4157 8.6004 8.6004 10.0862 10.0862 k = 0.0000 0.5000 0.4094 ( 6508 PWs) bands (ev): -43.5852 -43.5852 -43.5852 -43.5852 -16.8146 -16.8146 -16.8146 -16.8146 -3.2579 -3.2579 -3.2579 -3.2579 -2.0819 -2.0819 -2.0819 -2.0819 -1.4731 -1.4731 -1.4731 -1.4731 8.5076 8.5076 8.5076 8.5076 10.1620 10.1620 k = 0.0000 0.5000 0.4094 ( 6508 PWs) bands (ev): -43.5852 -43.5852 -43.5852 -43.5852 -16.8146 -16.8146 -16.8146 -16.8146 -3.2579 -3.2579 -3.2579 -3.2579 -2.0819 -2.0819 -2.0819 -2.0819 -1.4731 -1.4731 -1.4731 -1.4731 8.5076 8.5076 8.5076 8.5076 10.1620 10.1620 k = 0.0111 0.5000 0.4094 ( 6508 PWs) bands (ev): -43.5852 -43.5852 -43.5852 -43.5852 -16.8146 -16.8146 -16.8146 -16.8146 -3.2574 -3.2574 -3.2574 -3.2574 -2.0829 -2.0829 -2.0822 -2.0822 -1.4737 -1.4737 -1.4729 -1.4729 8.5090 8.5090 8.5092 8.5092 10.1595 10.1596 k = 0.0222 0.5000 0.4094 ( 6512 PWs) bands (ev): -43.5852 -43.5852 -43.5852 -43.5852 -16.8147 -16.8147 -16.8147 -16.8147 -3.2559 -3.2559 -3.2558 -3.2558 -2.0854 -2.0854 -2.0840 -2.0840 -1.4748 -1.4748 -1.4731 -1.4731 8.5132 8.5132 8.5136 8.5136 10.1522 10.1522 k = 0.0333 0.5000 0.4094 ( 6512 PWs) bands (ev): -43.5852 -43.5852 -43.5852 -43.5852 -16.8147 -16.8147 -16.8147 -16.8147 -3.2533 -3.2533 -3.2532 -3.2532 -2.0893 -2.0893 -2.0872 -2.0872 -1.4763 -1.4763 -1.4738 -1.4738 8.5203 8.5203 8.5208 8.5208 10.1401 10.1402 k = 0.0444 0.5000 0.4094 ( 6512 PWs) bands (ev): -43.5852 -43.5852 -43.5852 -43.5852 -16.8148 -16.8148 -16.8148 -16.8148 -3.2496 -3.2496 -3.2495 -3.2495 -2.0945 -2.0945 -2.0917 -2.0917 -1.4783 -1.4783 -1.4750 -1.4750 8.5302 8.5302 8.5309 8.5309 10.1235 10.1236 k = 0.0556 0.5000 0.4094 ( 6500 PWs) bands (ev): -43.5852 -43.5852 -43.5852 -43.5852 -16.8149 -16.8149 -16.8149 -16.8149 -3.2450 -3.2450 -3.2449 -3.2449 -2.1010 -2.1010 -2.0976 -2.0976 -1.4808 -1.4808 -1.4768 -1.4768 8.5429 8.5429 8.5438 8.5438 10.1027 10.1027 k = 0.0667 0.5000 0.4094 ( 6496 PWs) bands (ev): -43.5851 -43.5851 -43.5851 -43.5851 -16.8150 -16.8150 -16.8150 -16.8150 -3.2393 -3.2393 -3.2391 -3.2391 -2.1087 -2.1087 -2.1047 -2.1047 -1.4839 -1.4839 -1.4791 -1.4791 8.5583 8.5583 8.5594 8.5594 10.0780 10.0780 k = 0.0778 0.5000 0.4094 ( 6488 PWs) bands (ev): -43.5851 -43.5851 -43.5851 -43.5851 -16.8152 -16.8152 -16.8152 -16.8152 -3.2326 -3.2326 -3.2324 -3.2324 -2.1176 -2.1176 -2.1130 -2.1130 -1.4876 -1.4876 -1.4821 -1.4821 8.5764 8.5764 8.5777 8.5777 10.0498 10.0498 k = 0.0889 0.5000 0.4094 ( 6488 PWs) bands (ev): -43.5850 -43.5850 -43.5850 -43.5850 -16.8153 -16.8153 -16.8153 -16.8153 -3.2248 -3.2248 -3.2246 -3.2246 -2.1275 -2.1275 -2.1224 -2.1224 -1.4919 -1.4919 -1.4858 -1.4858 8.5971 8.5971 8.5986 8.5986 10.0186 10.0186 k = 0.1000 0.5000 0.4094 ( 6484 PWs) bands (ev): -43.5850 -43.5850 -43.5850 -43.5850 -16.8155 -16.8155 -16.8155 -16.8155 -3.2161 -3.2161 -3.2159 -3.2159 -2.1384 -2.1384 -2.1327 -2.1327 -1.4970 -1.4970 -1.4902 -1.4902 8.6203 8.6203 8.6220 8.6220 9.9848 9.9848 k = 0.1111 0.5000 0.4094 ( 6484 PWs) bands (ev): -43.5849 -43.5849 -43.5849 -43.5849 -16.8157 -16.8157 -16.8157 -16.8157 -3.2063 -3.2063 -3.2061 -3.2061 -2.1502 -2.1502 -2.1440 -2.1440 -1.5028 -1.5028 -1.4954 -1.4954 8.6459 8.6459 8.6478 8.6478 9.9488 9.9488 k = 0.1222 0.5000 0.4094 ( 6480 PWs) bands (ev): -43.5848 -43.5848 -43.5848 -43.5848 -16.8159 -16.8159 -16.8159 -16.8159 -3.1956 -3.1956 -3.1953 -3.1953 -2.1627 -2.1627 -2.1561 -2.1561 -1.5094 -1.5094 -1.5015 -1.5015 8.6736 8.6736 8.6757 8.6757 9.9112 9.9113 k = 0.1333 0.5000 0.4094 ( 6484 PWs) bands (ev): -43.5848 -43.5848 -43.5848 -43.5848 -16.8161 -16.8161 -16.8161 -16.8161 -3.1838 -3.1838 -3.1836 -3.1836 -2.1759 -2.1759 -2.1689 -2.1689 -1.5169 -1.5169 -1.5086 -1.5086 8.7035 8.7035 8.7057 8.7057 9.8726 9.8727 k = 0.1444 0.5000 0.4094 ( 6472 PWs) bands (ev): -43.5847 -43.5847 -43.5847 -43.5847 -16.8164 -16.8164 -16.8164 -16.8164 -3.1711 -3.1711 -3.1709 -3.1709 -2.1897 -2.1897 -2.1823 -2.1823 -1.5254 -1.5254 -1.5166 -1.5166 8.7351 8.7351 8.7375 8.7375 9.8332 9.8334 k = 0.1556 0.5000 0.4094 ( 6476 PWs) bands (ev): -43.5846 -43.5846 -43.5846 -43.5846 -16.8167 -16.8167 -16.8167 -16.8167 -3.1575 -3.1575 -3.1573 -3.1573 -2.2040 -2.2040 -2.1962 -2.1962 -1.5348 -1.5348 -1.5256 -1.5256 8.7682 8.7682 8.7709 8.7709 9.7938 9.7938 k = 0.1667 0.5000 0.4094 ( 6484 PWs) bands (ev): -43.5846 -43.5846 -43.5846 -43.5846 -16.8169 -16.8169 -16.8169 -16.8169 -3.1429 -3.1429 -3.1427 -3.1427 -2.2186 -2.2186 -2.2105 -2.2105 -1.5452 -1.5452 -1.5356 -1.5356 8.8025 8.8025 8.8054 8.8054 9.7550 9.7550 k = 0.1778 0.5000 0.4094 ( 6476 PWs) bands (ev): -43.5845 -43.5845 -43.5845 -43.5845 -16.8172 -16.8172 -16.8172 -16.8172 -3.1273 -3.1273 -3.1272 -3.1272 -2.2336 -2.2336 -2.2252 -2.2252 -1.5567 -1.5567 -1.5468 -1.5468 8.8374 8.8374 8.8405 8.8405 9.7173 9.7173 k = 0.1889 0.5000 0.4094 ( 6480 PWs) bands (ev): -43.5844 -43.5844 -43.5844 -43.5844 -16.8175 -16.8175 -16.8175 -16.8175 -3.1109 -3.1109 -3.1107 -3.1107 -2.2487 -2.2487 -2.2400 -2.2400 -1.5692 -1.5692 -1.5590 -1.5590 8.8724 8.8724 8.8758 8.8758 9.6816 9.6816 k = 0.2000 0.5000 0.4094 ( 6480 PWs) bands (ev): -43.5843 -43.5843 -43.5843 -43.5843 -16.8178 -16.8178 -16.8178 -16.8178 -3.0936 -3.0936 -3.0935 -3.0935 -2.2640 -2.2640 -2.2550 -2.2550 -1.5829 -1.5829 -1.5724 -1.5724 8.9067 8.9067 8.9103 8.9103 9.6489 9.6489 k = 0.2111 0.5000 0.4094 ( 6476 PWs) bands (ev): -43.5842 -43.5842 -43.5842 -43.5842 -16.8181 -16.8181 -16.8181 -16.8181 -3.0754 -3.0754 -3.0753 -3.0753 -2.2793 -2.2793 -2.2700 -2.2700 -1.5976 -1.5976 -1.5868 -1.5868 8.9392 8.9392 8.9430 8.9430 9.6201 9.6202 k = 0.2222 0.5000 0.4094 ( 6472 PWs) bands (ev): -43.5841 -43.5841 -43.5841 -43.5841 -16.8185 -16.8185 -16.8185 -16.8185 -3.0563 -3.0563 -3.0563 -3.0563 -2.2945 -2.2945 -2.2849 -2.2849 -1.6134 -1.6134 -1.6024 -1.6024 8.9686 8.9686 8.9726 8.9726 9.5969 9.5969 k = 0.2333 0.5000 0.4094 ( 6476 PWs) bands (ev): -43.5840 -43.5840 -43.5840 -43.5840 -16.8188 -16.8188 -16.8188 -16.8188 -3.0366 -3.0366 -3.0365 -3.0365 -2.3096 -2.3096 -2.2997 -2.2997 -1.6303 -1.6303 -1.6191 -1.6191 8.9935 8.9935 8.9977 8.9977 9.5806 9.5806 k = 0.2444 0.5000 0.4094 ( 6484 PWs) bands (ev): -43.5840 -43.5840 -43.5840 -43.5840 -16.8191 -16.8191 -16.8191 -16.8191 -3.0160 -3.0160 -3.0158 -3.0158 -2.3245 -2.3245 -2.3143 -2.3143 -1.6483 -1.6483 -1.6370 -1.6370 9.0121 9.0121 9.0164 9.0164 9.5730 9.5730 k = 0.2556 0.5000 0.4094 ( 6484 PWs) bands (ev): -43.5839 -43.5839 -43.5839 -43.5839 -16.8194 -16.8194 -16.8194 -16.8194 -2.9948 -2.9948 -2.9945 -2.9945 -2.3391 -2.3391 -2.3286 -2.3286 -1.6674 -1.6674 -1.6559 -1.6559 9.0234 9.0234 9.0276 9.0276 9.5752 9.5752 k = 0.2667 0.5000 0.4094 ( 6492 PWs) bands (ev): -43.5838 -43.5838 -43.5838 -43.5838 -16.8198 -16.8198 -16.8198 -16.8198 -2.9729 -2.9729 -2.9724 -2.9724 -2.3533 -2.3533 -2.3426 -2.3426 -1.6875 -1.6875 -1.6759 -1.6759 9.0267 9.0267 9.0308 9.0308 9.5878 9.5878 k = 0.2778 0.5000 0.4094 ( 6492 PWs) bands (ev): -43.5837 -43.5837 -43.5837 -43.5837 -16.8201 -16.8201 -16.8201 -16.8201 -2.9503 -2.9503 -2.9496 -2.9496 -2.3671 -2.3671 -2.3560 -2.3560 -1.7087 -1.7087 -1.6969 -1.6969 9.0226 9.0226 9.0265 9.0265 9.6102 9.6102 k = 0.2889 0.5000 0.4094 ( 6500 PWs) bands (ev): -43.5836 -43.5836 -43.5836 -43.5836 -16.8204 -16.8204 -16.8204 -16.8204 -2.9272 -2.9272 -2.9263 -2.9263 -2.3804 -2.3804 -2.3689 -2.3689 -1.7308 -1.7308 -1.7189 -1.7189 9.0122 9.0122 9.0158 9.0158 9.6411 9.6411 k = 0.3000 0.5000 0.4094 ( 6508 PWs) bands (ev): -43.5835 -43.5835 -43.5835 -43.5835 -16.8207 -16.8207 -16.8207 -16.8207 -2.9035 -2.9035 -2.9024 -2.9024 -2.3931 -2.3931 -2.3812 -2.3812 -1.7539 -1.7539 -1.7419 -1.7419 8.9970 8.9970 9.0002 9.0002 9.6787 9.6787 k = 0.3111 0.5000 0.4094 ( 6508 PWs) bands (ev): -43.5834 -43.5834 -43.5834 -43.5834 -16.8210 -16.8210 -16.8210 -16.8210 -2.8795 -2.8795 -2.8780 -2.8780 -2.4051 -2.4051 -2.3928 -2.3928 -1.7778 -1.7778 -1.7658 -1.7658 8.9785 8.9785 8.9814 8.9814 9.7214 9.7214 k = 0.3222 0.5000 0.4094 ( 6504 PWs) bands (ev): -43.5834 -43.5834 -43.5834 -43.5834 -16.8213 -16.8213 -16.8213 -16.8213 -2.8551 -2.8551 -2.8532 -2.8532 -2.4163 -2.4163 -2.4035 -2.4035 -1.8026 -1.8026 -1.7905 -1.7905 8.9579 8.9579 8.9605 8.9605 9.7678 9.7678 k = 0.3333 0.5000 0.4094 ( 6504 PWs) bands (ev): -43.5833 -43.5833 -43.5833 -43.5833 -16.8216 -16.8216 -16.8216 -16.8216 -2.8306 -2.8306 -2.8282 -2.8282 -2.4267 -2.4267 -2.4133 -2.4133 -1.8282 -1.8282 -1.8160 -1.8160 8.9362 8.9362 8.9386 8.9386 9.8166 9.8167 k = 0.3444 0.5000 0.4094 ( 6508 PWs) bands (ev): -43.5832 -43.5832 -43.5832 -43.5832 -16.8219 -16.8219 -16.8219 -16.8219 -2.8059 -2.8059 -2.8031 -2.8031 -2.4360 -2.4360 -2.4220 -2.4220 -1.8545 -1.8545 -1.8422 -1.8422 8.9141 8.9141 8.9163 8.9163 9.8667 9.8667 k = 0.3556 0.5000 0.4094 ( 6504 PWs) bands (ev): -43.5831 -43.5831 -43.5831 -43.5831 -16.8222 -16.8222 -16.8222 -16.8222 -2.7815 -2.7815 -2.7780 -2.7780 -2.4442 -2.4442 -2.4295 -2.4295 -1.8814 -1.8814 -1.8691 -1.8691 8.8923 8.8923 8.8942 8.8942 9.9173 9.9173 k = 0.3667 0.5000 0.4094 ( 6504 PWs) bands (ev): -43.5831 -43.5831 -43.5831 -43.5831 -16.8224 -16.8224 -16.8224 -16.8224 -2.7574 -2.7574 -2.7532 -2.7532 -2.4510 -2.4510 -2.4355 -2.4355 -1.9089 -1.9089 -1.8965 -1.8965 8.8711 8.8711 8.8729 8.8729 9.9676 9.9676 k = 0.3778 0.5000 0.4094 ( 6516 PWs) bands (ev): -43.5830 -43.5830 -43.5830 -43.5830 -16.8227 -16.8227 -16.8227 -16.8227 -2.7339 -2.7339 -2.7290 -2.7290 -2.4562 -2.4562 -2.4398 -2.4398 -1.9369 -1.9369 -1.9244 -1.9244 8.8509 8.8509 8.8524 8.8524 10.0171 10.0172 k = 0.3889 0.5000 0.4094 ( 6512 PWs) bands (ev): -43.5829 -43.5829 -43.5829 -43.5829 -16.8229 -16.8229 -16.8229 -16.8229 -2.7116 -2.7116 -2.7058 -2.7058 -2.4594 -2.4594 -2.4421 -2.4421 -1.9652 -1.9652 -1.9527 -1.9527 8.8318 8.8318 8.8332 8.8332 10.0649 10.0649 k = 0.4000 0.5000 0.4094 ( 6516 PWs) bands (ev): -43.5829 -43.5829 -43.5829 -43.5829 -16.8231 -16.8231 -16.8231 -16.8231 -2.6907 -2.6907 -2.6841 -2.6841 -2.4603 -2.4603 -2.4420 -2.4420 -1.9936 -1.9936 -1.9812 -1.9812 8.8142 8.8142 8.8155 8.8155 10.1105 10.1105 k = 0.4111 0.5000 0.4094 ( 6512 PWs) bands (ev): -43.5828 -43.5828 -43.5828 -43.5828 -16.8233 -16.8233 -16.8233 -16.8233 -2.6718 -2.6718 -2.6645 -2.6645 -2.4582 -2.4582 -2.4392 -2.4392 -2.0222 -2.0222 -2.0097 -2.0097 8.7982 8.7982 8.7992 8.7992 10.1534 10.1537 k = 0.4222 0.5000 0.4094 ( 6508 PWs) bands (ev): -43.5828 -43.5828 -43.5828 -43.5828 -16.8235 -16.8235 -16.8235 -16.8235 -2.6553 -2.6553 -2.6477 -2.6477 -2.4528 -2.4528 -2.4334 -2.4334 -2.0506 -2.0506 -2.0382 -2.0382 8.7838 8.7838 8.7847 8.7847 10.1929 10.1931 k = 0.4333 0.5000 0.4094 ( 6520 PWs) bands (ev): -43.5827 -43.5827 -43.5827 -43.5827 -16.8236 -16.8236 -16.8236 -16.8236 -2.6416 -2.6416 -2.6341 -2.6341 -2.4438 -2.4438 -2.4247 -2.4247 -2.0785 -2.0785 -2.0663 -2.0663 8.7711 8.7711 8.7719 8.7719 10.2286 10.2286 k = 0.4444 0.5000 0.4094 ( 6524 PWs) bands (ev): -43.5827 -43.5827 -43.5827 -43.5827 -16.8237 -16.8237 -16.8237 -16.8237 -2.6307 -2.6307 -2.6238 -2.6238 -2.4315 -2.4315 -2.4132 -2.4132 -2.1055 -2.1055 -2.0936 -2.0936 8.7604 8.7604 8.7610 8.7610 10.2596 10.2596 k = 0.4556 0.5000 0.4094 ( 6524 PWs) bands (ev): -43.5827 -43.5827 -43.5827 -43.5827 -16.8238 -16.8238 -16.8238 -16.8238 -2.6224 -2.6224 -2.6165 -2.6165 -2.4166 -2.4166 -2.3998 -2.3998 -2.1309 -2.1309 -2.1197 -2.1197 8.7515 8.7515 8.7520 8.7520 10.2858 10.2860 k = 0.4667 0.5000 0.4094 ( 6528 PWs) bands (ev): -43.5827 -43.5827 -43.5827 -43.5827 -16.8239 -16.8239 -16.8239 -16.8239 -2.6163 -2.6163 -2.6118 -2.6118 -2.4003 -2.4003 -2.3860 -2.3860 -2.1537 -2.1537 -2.1437 -2.1437 8.7445 8.7445 8.7449 8.7449 10.3067 10.3068 k = 0.4778 0.5000 0.4094 ( 6540 PWs) bands (ev): -43.5827 -43.5827 -43.5827 -43.5827 -16.8240 -16.8240 -16.8240 -16.8240 -2.6121 -2.6121 -2.6091 -2.6091 -2.3846 -2.3846 -2.3738 -2.3738 -2.1722 -2.1722 -2.1643 -2.1643 8.7396 8.7396 8.7398 8.7398 10.3218 10.3219 k = 0.4889 0.5000 0.4094 ( 6548 PWs) bands (ev): -43.5827 -43.5827 -43.5827 -43.5827 -16.8240 -16.8240 -16.8240 -16.8240 -2.6095 -2.6095 -2.6079 -2.6079 -2.3719 -2.3719 -2.3659 -2.3659 -2.1840 -2.1840 -2.1794 -2.1794 8.7366 8.7366 8.7367 8.7367 10.3311 10.3311 k = 0.5000 0.5000 0.4094 ( 6552 PWs) bands (ev): -43.5827 -43.5827 -43.5827 -43.5827 -16.8240 -16.8240 -16.8240 -16.8240 -2.6081 -2.6081 -2.6081 -2.6081 -2.3651 -2.3651 -2.3651 -2.3651 -2.1866 -2.1866 -2.1866 -2.1866 8.7357 8.7357 8.7357 8.7357 10.3342 10.3342 k = 0.5000 0.5000 0.4094 ( 6552 PWs) bands (ev): -43.5827 -43.5827 -43.5827 -43.5827 -16.8240 -16.8240 -16.8240 -16.8240 -2.6081 -2.6081 -2.6081 -2.6081 -2.3651 -2.3651 -2.3651 -2.3651 -2.1866 -2.1866 -2.1866 -2.1866 8.7357 8.7357 8.7357 8.7357 10.3342 10.3342 k = 0.4921 0.4921 0.4094 ( 6550 PWs) bands (ev): -43.5827 -43.5827 -43.5826 -43.5826 -16.8241 -16.8241 -16.8239 -16.8239 -2.6097 -2.6097 -2.6077 -2.6077 -2.3754 -2.3754 -2.3624 -2.3624 -2.1869 -2.1869 -2.1766 -2.1766 8.7362 8.7362 8.7372 8.7372 10.3276 10.3276 k = 0.4841 0.4841 0.4094 ( 6542 PWs) bands (ev): -43.5828 -43.5828 -43.5825 -43.5825 -16.8243 -16.8243 -16.8236 -16.8236 -2.6131 -2.6131 -2.6078 -2.6078 -2.3996 -2.3996 -2.3568 -2.3568 -2.1859 -2.1859 -2.1528 -2.1528 8.7379 8.7379 8.7417 8.7417 10.3083 10.3083 k = 0.4762 0.4762 0.4094 ( 6524 PWs) bands (ev): -43.5830 -43.5830 -43.5824 -43.5824 -16.8247 -16.8247 -16.8232 -16.8232 -2.6183 -2.6183 -2.6081 -2.6081 -2.4317 -2.4317 -2.3480 -2.3480 -2.1842 -2.1842 -2.1213 -2.1213 8.7406 8.7406 8.7492 8.7492 10.2766 10.2766 k = 0.4683 0.4683 0.4094 ( 6520 PWs) bands (ev): -43.5832 -43.5832 -43.5821 -43.5821 -16.8252 -16.8252 -16.8225 -16.8225 -2.6250 -2.6250 -2.6085 -2.6085 -2.4676 -2.4676 -2.3363 -2.3363 -2.1819 -2.1819 -2.0862 -2.0862 8.7443 8.7443 8.7595 8.7595 10.2337 10.2337 k = 0.4603 0.4603 0.4094 ( 6516 PWs) bands (ev): -43.5836 -43.5836 -43.5818 -43.5818 -16.8258 -16.8258 -16.8217 -16.8217 -2.6327 -2.6327 -2.6090 -2.6090 -2.5052 -2.5052 -2.3222 -2.3222 -2.1790 -2.1790 -2.0496 -2.0496 8.7491 8.7491 8.7724 8.7724 10.1806 10.1806 k = 0.4524 0.4524 0.4094 ( 6508 PWs) bands (ev): -43.5840 -43.5840 -43.5815 -43.5815 -16.8266 -16.8266 -16.8206 -16.8206 -2.6409 -2.6409 -2.6098 -2.6098 -2.5437 -2.5437 -2.3062 -2.3062 -2.1753 -2.1753 -2.0123 -2.0123 8.7548 8.7548 8.7878 8.7878 10.1189 10.1189 k = 0.4444 0.4444 0.4094 ( 6500 PWs) bands (ev): -43.5845 -43.5845 -43.5811 -43.5811 -16.8275 -16.8275 -16.8194 -16.8194 -2.6494 -2.6494 -2.6113 -2.6113 -2.5817 -2.5817 -2.2885 -2.2885 -2.1711 -2.1711 -1.9751 -1.9751 8.7615 8.7615 8.8054 8.8054 10.0500 10.0500 k = 0.4365 0.4365 0.4094 ( 6504 PWs) bands (ev): -43.5850 -43.5850 -43.5806 -43.5806 -16.8285 -16.8285 -16.8181 -16.8181 -2.6579 -2.6579 -2.6251 -2.6251 -2.6075 -2.6075 -2.2695 -2.2695 -2.1662 -2.1662 -1.9382 -1.9382 8.7689 8.7689 8.8245 8.8245 9.9757 9.9757 k = 0.4286 0.4286 0.4094 ( 6508 PWs) bands (ev): -43.5857 -43.5857 -43.5801 -43.5801 -16.8297 -16.8297 -16.8165 -16.8165 -2.6674 -2.6674 -2.6602 -2.6602 -2.6104 -2.6104 -2.2495 -2.2495 -2.1607 -2.1607 -1.9019 -1.9019 8.7772 8.7772 8.8444 8.8444 9.8978 9.8978 k = 0.4206 0.4206 0.4094 ( 6508 PWs) bands (ev): -43.5864 -43.5864 -43.5795 -43.5795 -16.8310 -16.8310 -16.8148 -16.8148 -2.6999 -2.6999 -2.6731 -2.6731 -2.6117 -2.6117 -2.2287 -2.2287 -2.1545 -2.1545 -1.8664 -1.8664 8.7860 8.7860 8.8642 8.8642 9.8185 9.8185 k = 0.4127 0.4127 0.4094 ( 6512 PWs) bands (ev): -43.5871 -43.5871 -43.5789 -43.5789 -16.8324 -16.8324 -16.8129 -16.8129 -2.7371 -2.7371 -2.6804 -2.6804 -2.6129 -2.6129 -2.2072 -2.2072 -2.1477 -2.1477 -1.8319 -1.8319 8.7954 8.7954 8.8820 8.8820 9.7403 9.7403 k = 0.4048 0.4048 0.4094 ( 6504 PWs) bands (ev): -43.5880 -43.5880 -43.5782 -43.5782 -16.8339 -16.8339 -16.8109 -16.8109 -2.7737 -2.7737 -2.6869 -2.6869 -2.6140 -2.6140 -2.1853 -2.1853 -2.1403 -2.1403 -1.7986 -1.7986 8.8052 8.8052 8.8955 8.8955 9.6666 9.6666 k = 0.3968 0.3968 0.4094 ( 6500 PWs) bands (ev): -43.5888 -43.5888 -43.5774 -43.5774 -16.8356 -16.8356 -16.8087 -16.8087 -2.8095 -2.8095 -2.6925 -2.6925 -2.6153 -2.6153 -2.1632 -2.1632 -2.1321 -2.1321 -1.7665 -1.7665 8.8152 8.8152 8.9010 8.9010 9.6016 9.6016 k = 0.3889 0.3889 0.4094 ( 6498 PWs) bands (ev): -43.5898 -43.5898 -43.5766 -43.5766 -16.8374 -16.8374 -16.8063 -16.8063 -2.8443 -2.8443 -2.6973 -2.6973 -2.6166 -2.6166 -2.1414 -2.1414 -2.1227 -2.1227 -1.7358 -1.7358 8.8254 8.8254 8.8940 8.8940 9.5506 9.5506 k = 0.3810 0.3810 0.4094 ( 6500 PWs) bands (ev): -43.5908 -43.5908 -43.5758 -43.5758 -16.8393 -16.8393 -16.8039 -16.8039 -2.8782 -2.8782 -2.7012 -2.7012 -2.6180 -2.6180 -2.1223 -2.1223 -2.1099 -2.1099 -1.7065 -1.7065 8.8354 8.8354 8.8702 8.8702 9.5183 9.5183 k = 0.3730 0.3730 0.4094 ( 6496 PWs) bands (ev): -43.5919 -43.5919 -43.5749 -43.5749 -16.8413 -16.8413 -16.8013 -16.8013 -2.9108 -2.9108 -2.7041 -2.7041 -2.6194 -2.6194 -2.1093 -2.1093 -2.0905 -2.0905 -1.6788 -1.6788 8.8273 8.8273 8.8455 8.8455 9.5072 9.5072 k = 0.3651 0.3651 0.4094 ( 6492 PWs) bands (ev): -43.5930 -43.5930 -43.5740 -43.5740 -16.8434 -16.8434 -16.7985 -16.7985 -2.9423 -2.9423 -2.7060 -2.7060 -2.6210 -2.6210 -2.0985 -2.0985 -2.0684 -2.0684 -1.6528 -1.6528 8.7675 8.7675 8.8547 8.8547 9.5160 9.5160 k = 0.3571 0.3571 0.4094 ( 6504 PWs) bands (ev): -43.5942 -43.5942 -43.5730 -43.5730 -16.8455 -16.8455 -16.7957 -16.7957 -2.9725 -2.9725 -2.7070 -2.7070 -2.6226 -2.6226 -2.0878 -2.0878 -2.0457 -2.0457 -1.6286 -1.6286 8.6942 8.6942 8.8634 8.8634 9.5414 9.5414 k = 0.3492 0.3492 0.4094 ( 6504 PWs) bands (ev): -43.5954 -43.5954 -43.5720 -43.5720 -16.8478 -16.8478 -16.7927 -16.7927 -3.0014 -3.0014 -2.7069 -2.7069 -2.6243 -2.6243 -2.0770 -2.0770 -2.0229 -2.0229 -1.6062 -1.6062 8.6115 8.6115 8.8712 8.8712 9.5795 9.5795 k = 0.3413 0.3413 0.4094 ( 6510 PWs) bands (ev): -43.5967 -43.5967 -43.5709 -43.5709 -16.8502 -16.8502 -16.7897 -16.7897 -3.0288 -3.0288 -2.7058 -2.7058 -2.6260 -2.6260 -2.0658 -2.0658 -2.0003 -2.0003 -1.5858 -1.5858 8.5227 8.5227 8.8778 8.8778 9.6272 9.6272 k = 0.3333 0.3333 0.4094 ( 6512 PWs) bands (ev): -43.5980 -43.5980 -43.5698 -43.5698 -16.8526 -16.8526 -16.7866 -16.7866 -3.0548 -3.0548 -2.7036 -2.7036 -2.6279 -2.6279 -2.0543 -2.0543 -1.9779 -1.9779 -1.5674 -1.5674 8.4303 8.4303 8.8831 8.8831 9.6824 9.6824 k = 0.3254 0.3254 0.4094 ( 6508 PWs) bands (ev): -43.5993 -43.5993 -43.5687 -43.5687 -16.8551 -16.8551 -16.7833 -16.7833 -3.0792 -3.0792 -2.7004 -2.7004 -2.6297 -2.6297 -2.0424 -2.0424 -1.9558 -1.9558 -1.5510 -1.5510 8.3358 8.3358 8.8867 8.8867 9.7434 9.7434 k = 0.3175 0.3175 0.4094 ( 6508 PWs) bands (ev): -43.6007 -43.6007 -43.5676 -43.5676 -16.8577 -16.8577 -16.7800 -16.7800 -3.1021 -3.1021 -2.6962 -2.6962 -2.6316 -2.6316 -2.0303 -2.0303 -1.9341 -1.9341 -1.5368 -1.5368 8.2405 8.2405 8.8885 8.8885 9.8092 9.8092 k = 0.3095 0.3095 0.4094 ( 6502 PWs) bands (ev): -43.6021 -43.6021 -43.5664 -43.5664 -16.8603 -16.8603 -16.7767 -16.7767 -3.1233 -3.1233 -2.6909 -2.6909 -2.6336 -2.6336 -2.0179 -2.0179 -1.9128 -1.9128 -1.5247 -1.5247 8.1451 8.1451 8.8882 8.8882 9.8792 9.8792 k = 0.3016 0.3016 0.4094 ( 6506 PWs) bands (ev): -43.6036 -43.6036 -43.5652 -43.5652 -16.8630 -16.8630 -16.7733 -16.7733 -3.1429 -3.1429 -2.6847 -2.6847 -2.6356 -2.6356 -2.0052 -2.0052 -1.8920 -1.8920 -1.5149 -1.5149 8.0503 8.0503 8.8855 8.8855 9.9527 9.9527 k = 0.2937 0.2937 0.4094 ( 6506 PWs) bands (ev): -43.6050 -43.6050 -43.5640 -43.5640 -16.8658 -16.8658 -16.7698 -16.7698 -3.1607 -3.1607 -2.6776 -2.6776 -2.6375 -2.6375 -1.9923 -1.9923 -1.8717 -1.8717 -1.5073 -1.5073 7.9564 7.9564 8.8805 8.8805 10.0292 10.0292 k = 0.2857 0.2857 0.4094 ( 6510 PWs) bands (ev): -43.6065 -43.6065 -43.5627 -43.5627 -16.8685 -16.8685 -16.7663 -16.7663 -3.1768 -3.1768 -2.6696 -2.6696 -2.6392 -2.6392 -1.9793 -1.9793 -1.8521 -1.8521 -1.5021 -1.5021 7.8640 7.8640 8.8727 8.8727 10.1085 10.1085 k = 0.2778 0.2778 0.4094 ( 6514 PWs) bands (ev): -43.6080 -43.6080 -43.5615 -43.5615 -16.8714 -16.8714 -16.7628 -16.7628 -3.1912 -3.1912 -2.6613 -2.6613 -2.6405 -2.6405 -1.9661 -1.9661 -1.8331 -1.8331 -1.4992 -1.4992 7.7732 7.7732 8.8622 8.8622 10.1902 10.1902 k = 0.2698 0.2698 0.4094 ( 6518 PWs) bands (ev): -43.6095 -43.6095 -43.5602 -43.5602 -16.8742 -16.8742 -16.7593 -16.7593 -3.2037 -3.2037 -2.6540 -2.6540 -2.6397 -2.6397 -1.9527 -1.9527 -1.8147 -1.8147 -1.4986 -1.4986 7.6844 7.6844 8.8489 8.8489 10.2740 10.2740 k = 0.2619 0.2619 0.4094 ( 6510 PWs) bands (ev): -43.6110 -43.6110 -43.5589 -43.5589 -16.8770 -16.8770 -16.7558 -16.7558 -3.2143 -3.2143 -2.6512 -2.6512 -2.6336 -2.6336 -1.9393 -1.9393 -1.7971 -1.7971 -1.5004 -1.5004 7.5976 7.5976 8.8326 8.8326 10.3598 10.3598 k = 0.2540 0.2540 0.4094 ( 6518 PWs) bands (ev): -43.6126 -43.6126 -43.5577 -43.5577 -16.8799 -16.8799 -16.7522 -16.7522 -3.2232 -3.2232 -2.6520 -2.6520 -2.6230 -2.6230 -1.9258 -1.9258 -1.7803 -1.7803 -1.5046 -1.5046 7.5130 7.5130 8.8135 8.8135 10.4471 10.4471 k = 0.2460 0.2460 0.4094 ( 6510 PWs) bands (ev): -43.6141 -43.6141 -43.5564 -43.5564 -16.8828 -16.8828 -16.7487 -16.7487 -3.2301 -3.2301 -2.6537 -2.6537 -2.6107 -2.6107 -1.9123 -1.9123 -1.7642 -1.7642 -1.5111 -1.5111 7.4309 7.4309 8.7916 8.7916 10.5359 10.5359 k = 0.2381 0.2381 0.4094 ( 6506 PWs) bands (ev): -43.6156 -43.6156 -43.5551 -43.5551 -16.8856 -16.8856 -16.7452 -16.7452 -3.2352 -3.2352 -2.6558 -2.6558 -2.5972 -2.5972 -1.8988 -1.8988 -1.7490 -1.7490 -1.5199 -1.5199 7.3512 7.3512 8.7669 8.7669 10.6259 10.6259 k = 0.2302 0.2302 0.4094 ( 6514 PWs) bands (ev): -43.6171 -43.6171 -43.5538 -43.5538 -16.8885 -16.8885 -16.7417 -16.7417 -3.2383 -3.2383 -2.6580 -2.6580 -2.5828 -2.5828 -1.8853 -1.8853 -1.7347 -1.7347 -1.5310 -1.5310 7.2741 7.2741 8.7397 8.7397 10.7169 10.7169 k = 0.2222 0.2222 0.4094 ( 6510 PWs) bands (ev): -43.6186 -43.6186 -43.5526 -43.5526 -16.8913 -16.8913 -16.7382 -16.7382 -3.2396 -3.2396 -2.6603 -2.6603 -2.5676 -2.5676 -1.8719 -1.8719 -1.7212 -1.7212 -1.5444 -1.5444 7.1996 7.1996 8.7101 8.7101 10.8085 10.8085 k = 0.2143 0.2143 0.4094 ( 6510 PWs) bands (ev): -43.6201 -43.6201 -43.5513 -43.5513 -16.8942 -16.8942 -16.7348 -16.7348 -3.2389 -3.2389 -2.6626 -2.6626 -2.5516 -2.5516 -1.8587 -1.8587 -1.7086 -1.7086 -1.5601 -1.5601 7.1278 7.1278 8.6782 8.6782 10.8537 10.8537 k = 0.2063 0.2063 0.4094 ( 6516 PWs) bands (ev): -43.6216 -43.6216 -43.5501 -43.5501 -16.8970 -16.8970 -16.7315 -16.7315 -3.2364 -3.2364 -2.6650 -2.6650 -2.5351 -2.5351 -1.8455 -1.8455 -1.6969 -1.6969 -1.5779 -1.5779 7.0587 7.0587 8.6444 8.6444 10.8915 10.8915 k = 0.1984 0.1984 0.4094 ( 6510 PWs) bands (ev): -43.6231 -43.6231 -43.5489 -43.5489 -16.8997 -16.8997 -16.7282 -16.7282 -3.2319 -3.2319 -2.6673 -2.6673 -2.5179 -2.5179 -1.8326 -1.8326 -1.6862 -1.6862 -1.5979 -1.5979 6.9924 6.9924 8.6090 8.6090 10.9309 10.9309 k = 0.1905 0.1905 0.4094 ( 6506 PWs) bands (ev): -43.6245 -43.6245 -43.5476 -43.5476 -16.9024 -16.9024 -16.7250 -16.7250 -3.2255 -3.2255 -2.6697 -2.6697 -2.5002 -2.5002 -1.8199 -1.8199 -1.6764 -1.6764 -1.6198 -1.6198 6.9290 6.9290 8.5721 8.5721 10.9719 10.9719 k = 0.1825 0.1825 0.4094 ( 6506 PWs) bands (ev): -43.6259 -43.6259 -43.5465 -43.5465 -16.9051 -16.9051 -16.7218 -16.7218 -3.2173 -3.2173 -2.6720 -2.6720 -2.4821 -2.4821 -1.8075 -1.8075 -1.6676 -1.6676 -1.6437 -1.6437 6.8683 6.8683 8.5341 8.5341 11.0144 11.0144 k = 0.1746 0.1746 0.4094 ( 6506 PWs) bands (ev): -43.6273 -43.6273 -43.5453 -43.5453 -16.9076 -16.9076 -16.7188 -16.7188 -3.2072 -3.2072 -2.6742 -2.6742 -2.4636 -2.4636 -1.7954 -1.7954 -1.6701 -1.6701 -1.6591 -1.6591 6.8104 6.8104 8.4952 8.4952 11.0584 11.0584 k = 0.1667 0.1667 0.4094 ( 6506 PWs) bands (ev): -43.6286 -43.6286 -43.5442 -43.5442 -16.9102 -16.9102 -16.7158 -16.7158 -3.1952 -3.1952 -2.6765 -2.6765 -2.4447 -2.4447 -1.7838 -1.7838 -1.6973 -1.6973 -1.6523 -1.6523 6.7554 6.7554 8.4558 8.4558 11.1037 11.1037 k = 0.1587 0.1587 0.4094 ( 6506 PWs) bands (ev): -43.6299 -43.6299 -43.5431 -43.5431 -16.9126 -16.9126 -16.7129 -16.7129 -3.1814 -3.1814 -2.6787 -2.6787 -2.4256 -2.4256 -1.7730 -1.7730 -1.7260 -1.7260 -1.6462 -1.6462 6.7032 6.7032 8.4162 8.4162 11.1504 11.1504 k = 0.1508 0.1508 0.4094 ( 6510 PWs) bands (ev): -43.6312 -43.6312 -43.5420 -43.5420 -16.9150 -16.9150 -16.7101 -16.7101 -3.1659 -3.1659 -2.6808 -2.6808 -2.4064 -2.4064 -1.7682 -1.7682 -1.7507 -1.7507 -1.6410 -1.6410 6.6538 6.6538 8.3766 8.3766 11.1982 11.1982 k = 0.1429 0.1429 0.4094 ( 6506 PWs) bands (ev): -43.6324 -43.6324 -43.5410 -43.5410 -16.9173 -16.9173 -16.7074 -16.7074 -3.1486 -3.1486 -2.6829 -2.6829 -2.3871 -2.3871 -1.7931 -1.7931 -1.7475 -1.7475 -1.6367 -1.6367 6.6072 6.6072 8.3373 8.3373 11.2471 11.2471 k = 0.1349 0.1349 0.4094 ( 6510 PWs) bands (ev): -43.6335 -43.6335 -43.5401 -43.5401 -16.9195 -16.9195 -16.7049 -16.7049 -3.1296 -3.1296 -2.6849 -2.6849 -2.3678 -2.3678 -1.8263 -1.8263 -1.7380 -1.7380 -1.6332 -1.6332 6.5633 6.5633 8.2986 8.2986 11.2968 11.2968 k = 0.1270 0.1270 0.4094 ( 6508 PWs) bands (ev): -43.6346 -43.6346 -43.5391 -43.5391 -16.9216 -16.9216 -16.7025 -16.7025 -3.1090 -3.1090 -2.6868 -2.6868 -2.3487 -2.3487 -1.8613 -1.8613 -1.7284 -1.7284 -1.6305 -1.6305 6.5222 6.5222 8.2607 8.2607 11.3473 11.3473 k = 0.1190 0.1190 0.4094 ( 6508 PWs) bands (ev): -43.6357 -43.6357 -43.5382 -43.5382 -16.9236 -16.9236 -16.7001 -16.7001 -3.0867 -3.0867 -2.6887 -2.6887 -2.3297 -2.3297 -1.8976 -1.8976 -1.7191 -1.7191 -1.6286 -1.6286 6.4838 6.4838 8.2239 8.2239 11.3982 11.3982 k = 0.1111 0.1111 0.4094 ( 6512 PWs) bands (ev): -43.6367 -43.6367 -43.5374 -43.5374 -16.9256 -16.9256 -16.6979 -16.6979 -3.0630 -3.0630 -2.6905 -2.6905 -2.3111 -2.3111 -1.9349 -1.9349 -1.7103 -1.7103 -1.6274 -1.6274 6.4480 6.4480 8.1884 8.1884 11.4493 11.4493 k = 0.1032 0.1032 0.4094 ( 6508 PWs) bands (ev): -43.6377 -43.6377 -43.5366 -43.5366 -16.9274 -16.9274 -16.6959 -16.6959 -3.0378 -3.0378 -2.6921 -2.6921 -2.2929 -2.2929 -1.9731 -1.9731 -1.7020 -1.7020 -1.6268 -1.6268 6.4149 6.4149 8.1544 8.1544 11.5003 11.5003 k = 0.0952 0.0952 0.4094 ( 6508 PWs) bands (ev): -43.6385 -43.6385 -43.5358 -43.5358 -16.9290 -16.9290 -16.6940 -16.6940 -3.0113 -3.0113 -2.6937 -2.6937 -2.2752 -2.2752 -2.0120 -2.0120 -1.6943 -1.6943 -1.6268 -1.6268 6.3844 6.3844 8.1222 8.1222 11.5508 11.5508 k = 0.0873 0.0873 0.4094 ( 6508 PWs) bands (ev): -43.6394 -43.6394 -43.5351 -43.5351 -16.9306 -16.9306 -16.6922 -16.6922 -2.9835 -2.9835 -2.6951 -2.6951 -2.2583 -2.2583 -2.0514 -2.0514 -1.6871 -1.6871 -1.6272 -1.6272 6.3565 6.3565 8.0918 8.0918 11.6004 11.6004 k = 0.0794 0.0794 0.4094 ( 6500 PWs) bands (ev): -43.6401 -43.6401 -43.5345 -43.5345 -16.9320 -16.9320 -16.6906 -16.6906 -2.9547 -2.9547 -2.6965 -2.6965 -2.2421 -2.2421 -2.0911 -2.0911 -1.6807 -1.6807 -1.6281 -1.6281 6.3312 6.3312 8.0635 8.0635 11.6487 11.6487 k = 0.0714 0.0714 0.4094 ( 6504 PWs) bands (ev): -43.6408 -43.6408 -43.5339 -43.5339 -16.9334 -16.9334 -16.6891 -16.6891 -2.9249 -2.9249 -2.6977 -2.6977 -2.2271 -2.2271 -2.1307 -2.1307 -1.6749 -1.6749 -1.6292 -1.6292 6.3084 6.3084 8.0374 8.0374 11.6951 11.6951 k = 0.0635 0.0635 0.4094 ( 6504 PWs) bands (ev): -43.6414 -43.6414 -43.5334 -43.5334 -16.9346 -16.9346 -16.6877 -16.6877 -2.8944 -2.8944 -2.6988 -2.6988 -2.2136 -2.2136 -2.1696 -2.1696 -1.6699 -1.6699 -1.6304 -1.6304 6.2880 6.2880 8.0137 8.0137 11.7391 11.7391 k = 0.0556 0.0556 0.4094 ( 6496 PWs) bands (ev): -43.6420 -43.6420 -43.5329 -43.5329 -16.9356 -16.9356 -16.6865 -16.6865 -2.8635 -2.8635 -2.6997 -2.6997 -2.2142 -2.2142 -2.1952 -2.1952 -1.6656 -1.6656 -1.6317 -1.6317 6.2701 6.2701 7.9925 7.9925 11.7800 11.7800 k = 0.0476 0.0476 0.4094 ( 6496 PWs) bands (ev): -43.6425 -43.6425 -43.5325 -43.5325 -16.9365 -16.9365 -16.6855 -16.6855 -2.8326 -2.8326 -2.7004 -2.7004 -2.2494 -2.2494 -2.1866 -2.1866 -1.6623 -1.6623 -1.6327 -1.6327 6.2547 6.2547 7.9739 7.9739 11.8173 11.8173 k = 0.0397 0.0397 0.4094 ( 6492 PWs) bands (ev): -43.6429 -43.6429 -43.5321 -43.5321 -16.9373 -16.9373 -16.6846 -16.6846 -2.8023 -2.8023 -2.7010 -2.7010 -2.2857 -2.2857 -2.1769 -2.1769 -1.6598 -1.6598 -1.6334 -1.6334 6.2417 6.2417 7.9580 7.9580 11.8503 11.8503 k = 0.0317 0.0317 0.4094 ( 6486 PWs) bands (ev): -43.6432 -43.6432 -43.5318 -43.5318 -16.9380 -16.9380 -16.6839 -16.6839 -2.7735 -2.7735 -2.7012 -2.7012 -2.3198 -2.3198 -2.1685 -2.1685 -1.6582 -1.6582 -1.6338 -1.6338 6.2311 6.2311 7.9449 7.9449 11.8784 11.8784 k = 0.0238 0.0238 0.4094 ( 6490 PWs) bands (ev): -43.6435 -43.6435 -43.5316 -43.5316 -16.9385 -16.9385 -16.6834 -16.6834 -2.7477 -2.7477 -2.7009 -2.7009 -2.3503 -2.3503 -2.1618 -2.1618 -1.6572 -1.6572 -1.6339 -1.6339 6.2228 6.2228 7.9346 7.9346 11.9010 11.9010 k = 0.0159 0.0159 0.4094 ( 6486 PWs) bands (ev): -43.6437 -43.6437 -43.5315 -43.5315 -16.9388 -16.9388 -16.6830 -16.6830 -2.7275 -2.7275 -2.6994 -2.6994 -2.3751 -2.3751 -2.1569 -2.1569 -1.6568 -1.6568 -1.6338 -1.6338 6.2169 6.2169 7.9273 7.9273 11.9175 11.9175 k = 0.0079 0.0079 0.4094 ( 6474 PWs) bands (ev): -43.6438 -43.6438 -43.5314 -43.5314 -16.9390 -16.9390 -16.6827 -16.6827 -2.7163 -2.7163 -2.6958 -2.6958 -2.3918 -2.3918 -2.1540 -2.1540 -1.6566 -1.6566 -1.6336 -1.6336 6.2134 6.2134 7.9228 7.9228 11.9275 11.9275 k = 0.0000 0.0000 0.4094 ( 6498 PWs) bands (ev): -43.6438 -43.6438 -43.5314 -43.5314 -16.9391 -16.9391 -16.6826 -16.6826 -2.7134 -2.7134 -2.6935 -2.6935 -2.3978 -2.3978 -2.1530 -2.1530 -1.6565 -1.6565 -1.6336 -1.6336 6.2122 6.2122 7.9213 7.9213 11.9309 11.9309 k = 0.0000 0.5000-0.0000 ( 6506 PWs) bands (ev): -43.5853 -43.5853 -43.5853 -43.5853 -16.8251 -16.8251 -16.8251 -16.8251 -2.8131 -2.8131 -2.8131 -2.8131 -2.1015 -2.1015 -2.1015 -2.1015 -1.8392 -1.8392 -1.8392 -1.8392 7.9712 7.9712 7.9712 7.9712 11.0275 11.0275 k = 0.0000 0.5000 0.0111 ( 6522 PWs) bands (ev): -43.5853 -43.5853 -43.5853 -43.5853 -16.8251 -16.8251 -16.8251 -16.8251 -2.8143 -2.8143 -2.8143 -2.8143 -2.1014 -2.1014 -2.1014 -2.1014 -1.8383 -1.8383 -1.8383 -1.8383 7.9721 7.9721 7.9721 7.9721 11.0250 11.0250 k = 0.0000 0.5000 0.0221 ( 6510 PWs) bands (ev): -43.5853 -43.5853 -43.5853 -43.5853 -16.8250 -16.8250 -16.8250 -16.8250 -2.8176 -2.8176 -2.8176 -2.8176 -2.1013 -2.1013 -2.1013 -2.1013 -1.8354 -1.8354 -1.8354 -1.8354 7.9750 7.9750 7.9750 7.9750 11.0175 11.0175 k = 0.0000 0.5000 0.0332 ( 6516 PWs) bands (ev): -43.5853 -43.5853 -43.5853 -43.5853 -16.8249 -16.8249 -16.8249 -16.8249 -2.8231 -2.8231 -2.8231 -2.8231 -2.1012 -2.1012 -2.1012 -2.1012 -1.8306 -1.8306 -1.8306 -1.8306 7.9798 7.9798 7.9798 7.9798 11.0054 11.0054 k = 0.0000 0.5000 0.0443 ( 6508 PWs) bands (ev): -43.5853 -43.5853 -43.5853 -43.5853 -16.8248 -16.8248 -16.8248 -16.8248 -2.8306 -2.8306 -2.8306 -2.8306 -2.1009 -2.1009 -2.1009 -2.1009 -1.8241 -1.8241 -1.8241 -1.8241 7.9864 7.9864 7.9864 7.9864 10.9887 10.9887 k = 0.0000 0.5000 0.0553 ( 6508 PWs) bands (ev): -43.5853 -43.5853 -43.5853 -43.5853 -16.8246 -16.8246 -16.8246 -16.8246 -2.8401 -2.8401 -2.8401 -2.8401 -2.1006 -2.1006 -2.1006 -2.1006 -1.8159 -1.8159 -1.8159 -1.8159 7.9949 7.9949 7.9949 7.9949 10.9679 10.9679 k = 0.0000 0.5000 0.0664 ( 6504 PWs) bands (ev): -43.5853 -43.5853 -43.5853 -43.5853 -16.8244 -16.8244 -16.8244 -16.8244 -2.8513 -2.8513 -2.8513 -2.8513 -2.1002 -2.1002 -2.1002 -2.1002 -1.8062 -1.8062 -1.8062 -1.8062 8.0051 8.0051 8.0051 8.0051 10.9433 10.9433 k = 0.0000 0.5000 0.0775 ( 6508 PWs) bands (ev): -43.5853 -43.5853 -43.5853 -43.5853 -16.8242 -16.8242 -16.8242 -16.8242 -2.8641 -2.8641 -2.8641 -2.8641 -2.0998 -2.0998 -2.0998 -2.0998 -1.7952 -1.7952 -1.7952 -1.7952 8.0170 8.0170 8.0170 8.0170 10.9155 10.9155 k = 0.0000 0.5000 0.0885 ( 6514 PWs) bands (ev): -43.5853 -43.5853 -43.5853 -43.5853 -16.8239 -16.8239 -16.8239 -16.8239 -2.8782 -2.8782 -2.8782 -2.8782 -2.0993 -2.0993 -2.0993 -2.0993 -1.7830 -1.7830 -1.7830 -1.7830 8.0306 8.0306 8.0306 8.0306 10.8849 10.8849 k = 0.0000 0.5000 0.0996 ( 6506 PWs) bands (ev): -43.5853 -43.5853 -43.5853 -43.5853 -16.8236 -16.8236 -16.8236 -16.8236 -2.8936 -2.8936 -2.8936 -2.8936 -2.0987 -2.0987 -2.0987 -2.0987 -1.7699 -1.7699 -1.7699 -1.7699 8.0456 8.0456 8.0456 8.0456 10.8520 10.8520 k = 0.0000 0.5000 0.1107 ( 6512 PWs) bands (ev): -43.5853 -43.5853 -43.5853 -43.5853 -16.8233 -16.8233 -16.8233 -16.8233 -2.9100 -2.9100 -2.9100 -2.9100 -2.0981 -2.0981 -2.0981 -2.0981 -1.7559 -1.7559 -1.7559 -1.7559 8.0621 8.0621 8.0621 8.0621 10.8172 10.8172 k = 0.0000 0.5000 0.1217 ( 6512 PWs) bands (ev): -43.5853 -43.5853 -43.5853 -43.5853 -16.8230 -16.8230 -16.8230 -16.8230 -2.9272 -2.9272 -2.9272 -2.9272 -2.0975 -2.0975 -2.0975 -2.0975 -1.7413 -1.7413 -1.7413 -1.7413 8.0798 8.0798 8.0798 8.0798 10.7810 10.7810 k = 0.0000 0.5000 0.1328 ( 6496 PWs) bands (ev): -43.5853 -43.5853 -43.5853 -43.5853 -16.8226 -16.8226 -16.8226 -16.8226 -2.9451 -2.9451 -2.9451 -2.9451 -2.0968 -2.0968 -2.0968 -2.0968 -1.7262 -1.7262 -1.7262 -1.7262 8.0987 8.0987 8.0987 8.0987 10.7439 10.7439 k = 0.0000 0.5000 0.1439 ( 6504 PWs) bands (ev): -43.5853 -43.5853 -43.5853 -43.5853 -16.8222 -16.8222 -16.8222 -16.8222 -2.9634 -2.9634 -2.9634 -2.9634 -2.0960 -2.0960 -2.0960 -2.0960 -1.7108 -1.7108 -1.7108 -1.7108 8.1187 8.1187 8.1187 8.1187 10.7062 10.7062 k = 0.0000 0.5000 0.1549 ( 6512 PWs) bands (ev): -43.5853 -43.5853 -43.5853 -43.5853 -16.8218 -16.8218 -16.8218 -16.8218 -2.9821 -2.9821 -2.9821 -2.9821 -2.0953 -2.0953 -2.0953 -2.0953 -1.6952 -1.6952 -1.6952 -1.6952 8.1396 8.1396 8.1396 8.1396 10.6682 10.6682 k = 0.0000 0.5000 0.1660 ( 6502 PWs) bands (ev): -43.5853 -43.5853 -43.5853 -43.5853 -16.8214 -16.8214 -16.8214 -16.8214 -3.0009 -3.0009 -3.0009 -3.0009 -2.0945 -2.0945 -2.0945 -2.0945 -1.6796 -1.6796 -1.6796 -1.6796 8.1612 8.1612 8.1612 8.1612 10.6303 10.6303 k = 0.0000 0.5000 0.1771 ( 6504 PWs) bands (ev): -43.5853 -43.5853 -43.5853 -43.5853 -16.8210 -16.8210 -16.8210 -16.8210 -3.0197 -3.0197 -3.0197 -3.0197 -2.0937 -2.0937 -2.0937 -2.0937 -1.6640 -1.6640 -1.6640 -1.6640 8.1833 8.1833 8.1833 8.1833 10.5928 10.5928 k = 0.0000 0.5000 0.1881 ( 6504 PWs) bands (ev): -43.5853 -43.5853 -43.5853 -43.5853 -16.8205 -16.8205 -16.8205 -16.8205 -3.0384 -3.0384 -3.0384 -3.0384 -2.0929 -2.0929 -2.0929 -2.0929 -1.6486 -1.6486 -1.6486 -1.6486 8.2059 8.2059 8.2059 8.2059 10.5560 10.5560 k = 0.0000 0.5000 0.1992 ( 6504 PWs) bands (ev): -43.5853 -43.5853 -43.5853 -43.5853 -16.8201 -16.8201 -16.8201 -16.8201 -3.0569 -3.0569 -3.0569 -3.0569 -2.0921 -2.0921 -2.0921 -2.0921 -1.6334 -1.6334 -1.6334 -1.6334 8.2288 8.2288 8.2288 8.2288 10.5200 10.5200 k = 0.0000 0.5000 0.2103 ( 6502 PWs) bands (ev): -43.5853 -43.5853 -43.5853 -43.5853 -16.8196 -16.8196 -16.8196 -16.8196 -3.0751 -3.0751 -3.0751 -3.0751 -2.0912 -2.0912 -2.0912 -2.0912 -1.6186 -1.6186 -1.6186 -1.6186 8.2517 8.2517 8.2517 8.2517 10.4852 10.4852 k = 0.0000 0.5000 0.2213 ( 6502 PWs) bands (ev): -43.5853 -43.5853 -43.5853 -43.5853 -16.8192 -16.8192 -16.8192 -16.8192 -3.0928 -3.0928 -3.0928 -3.0928 -2.0904 -2.0904 -2.0904 -2.0904 -1.6042 -1.6042 -1.6042 -1.6042 8.2746 8.2746 8.2746 8.2746 10.4516 10.4516 k = 0.0000 0.5000 0.2324 ( 6506 PWs) bands (ev): -43.5853 -43.5853 -43.5853 -43.5853 -16.8188 -16.8188 -16.8188 -16.8188 -3.1100 -3.1100 -3.1099 -3.1099 -2.0896 -2.0896 -2.0896 -2.0896 -1.5903 -1.5903 -1.5903 -1.5903 8.2972 8.2972 8.2972 8.2972 10.4195 10.4195 k = 0.0000 0.5000 0.2434 ( 6498 PWs) bands (ev): -43.5852 -43.5852 -43.5852 -43.5852 -16.8183 -16.8183 -16.8183 -16.8183 -3.1265 -3.1265 -3.1265 -3.1265 -2.0888 -2.0888 -2.0888 -2.0888 -1.5770 -1.5770 -1.5770 -1.5770 8.3193 8.3193 8.3193 8.3193 10.3889 10.3889 k = 0.0000 0.5000 0.2545 ( 6506 PWs) bands (ev): -43.5853 -43.5853 -43.5853 -43.5853 -16.8179 -16.8179 -16.8179 -16.8179 -3.1423 -3.1423 -3.1423 -3.1423 -2.0880 -2.0880 -2.0880 -2.0880 -1.5643 -1.5643 -1.5643 -1.5643 8.3409 8.3409 8.3409 8.3409 10.3601 10.3601 k = 0.0000 0.5000 0.2656 ( 6510 PWs) bands (ev): -43.5853 -43.5853 -43.5853 -43.5853 -16.8175 -16.8175 -16.8175 -16.8175 -3.1573 -3.1573 -3.1573 -3.1573 -2.0873 -2.0873 -2.0873 -2.0873 -1.5523 -1.5523 -1.5523 -1.5523 8.3617 8.3617 8.3617 8.3617 10.3330 10.3330 k = 0.0000 0.5000 0.2766 ( 6490 PWs) bands (ev): -43.5852 -43.5852 -43.5852 -43.5852 -16.8171 -16.8171 -16.8171 -16.8171 -3.1715 -3.1715 -3.1715 -3.1715 -2.0865 -2.0865 -2.0865 -2.0865 -1.5410 -1.5410 -1.5410 -1.5410 8.3815 8.3815 8.3815 8.3815 10.3078 10.3078 k = 0.0000 0.5000 0.2877 ( 6486 PWs) bands (ev): -43.5852 -43.5852 -43.5852 -43.5852 -16.8167 -16.8167 -16.8167 -16.8167 -3.1848 -3.1848 -3.1848 -3.1848 -2.0858 -2.0858 -2.0858 -2.0858 -1.5305 -1.5305 -1.5305 -1.5305 8.4004 8.4004 8.4004 8.4004 10.2845 10.2845 k = 0.0000 0.5000 0.2988 ( 6496 PWs) bands (ev): -43.5852 -43.5852 -43.5852 -43.5852 -16.8164 -16.8164 -16.8164 -16.8164 -3.1971 -3.1971 -3.1971 -3.1971 -2.0852 -2.0852 -2.0852 -2.0852 -1.5208 -1.5208 -1.5208 -1.5208 8.4180 8.4180 8.4180 8.4180 10.2632 10.2632 k = 0.0000 0.5000 0.3098 ( 6500 PWs) bands (ev): -43.5852 -43.5852 -43.5852 -43.5852 -16.8161 -16.8161 -16.8161 -16.8161 -3.2083 -3.2083 -3.2083 -3.2083 -2.0846 -2.0846 -2.0846 -2.0846 -1.5119 -1.5119 -1.5119 -1.5119 8.4343 8.4343 8.4343 8.4343 10.2439 10.2439 k = 0.0000 0.5000 0.3209 ( 6492 PWs) bands (ev): -43.5852 -43.5852 -43.5852 -43.5852 -16.8158 -16.8158 -16.8158 -16.8158 -3.2185 -3.2185 -3.2185 -3.2185 -2.0840 -2.0840 -2.0840 -2.0840 -1.5038 -1.5038 -1.5038 -1.5038 8.4492 8.4492 8.4492 8.4492 10.2267 10.2267 k = 0.0000 0.5000 0.3320 ( 6490 PWs) bands (ev): -43.5852 -43.5852 -43.5852 -43.5852 -16.8155 -16.8155 -16.8155 -16.8155 -3.2276 -3.2276 -3.2276 -3.2276 -2.0836 -2.0836 -2.0836 -2.0836 -1.4967 -1.4967 -1.4967 -1.4967 8.4626 8.4626 8.4626 8.4626 10.2114 10.2115 k = 0.0000 0.5000 0.3430 ( 6504 PWs) bands (ev): -43.5852 -43.5852 -43.5852 -43.5852 -16.8153 -16.8153 -16.8153 -16.8153 -3.2356 -3.2356 -3.2356 -3.2356 -2.0831 -2.0831 -2.0831 -2.0831 -1.4905 -1.4905 -1.4905 -1.4905 8.4743 8.4743 8.4743 8.4743 10.1983 10.1983 k = 0.0000 0.5000 0.3541 ( 6508 PWs) bands (ev): -43.5852 -43.5852 -43.5852 -43.5852 -16.8151 -16.8151 -16.8151 -16.8151 -3.2423 -3.2423 -3.2423 -3.2423 -2.0827 -2.0827 -2.0827 -2.0827 -1.4852 -1.4852 -1.4852 -1.4852 8.4844 8.4844 8.4844 8.4844 10.1872 10.1872 k = 0.0000 0.5000 0.3652 ( 6508 PWs) bands (ev): -43.5852 -43.5852 -43.5852 -43.5852 -16.8149 -16.8149 -16.8149 -16.8149 -3.2479 -3.2479 -3.2479 -3.2479 -2.0824 -2.0824 -2.0824 -2.0824 -1.4808 -1.4808 -1.4808 -1.4808 8.4927 8.4927 8.4927 8.4927 10.1781 10.1781 k = 0.0000 0.5000 0.3762 ( 6514 PWs) bands (ev): -43.5852 -43.5852 -43.5852 -43.5852 -16.8148 -16.8148 -16.8148 -16.8148 -3.2523 -3.2523 -3.2523 -3.2523 -2.0822 -2.0822 -2.0822 -2.0822 -1.4774 -1.4774 -1.4774 -1.4774 8.4992 8.4992 8.4992 8.4992 10.1711 10.1711 k = 0.0000 0.5000 0.3873 ( 6506 PWs) bands (ev): -43.5852 -43.5852 -43.5852 -43.5852 -16.8147 -16.8147 -16.8147 -16.8147 -3.2554 -3.2554 -3.2554 -3.2554 -2.0820 -2.0820 -2.0820 -2.0820 -1.4750 -1.4750 -1.4750 -1.4750 8.5039 8.5039 8.5039 8.5039 10.1660 10.1660 k = 0.0000 0.5000 0.3984 ( 6504 PWs) bands (ev): -43.5852 -43.5852 -43.5852 -43.5852 -16.8146 -16.8146 -16.8146 -16.8146 -3.2573 -3.2573 -3.2573 -3.2573 -2.0819 -2.0819 -2.0819 -2.0819 -1.4735 -1.4735 -1.4735 -1.4735 8.5067 8.5067 8.5067 8.5067 10.1630 10.1630 k = 0.0000 0.5000 0.4094 ( 6508 PWs) bands (ev): -43.5852 -43.5852 -43.5852 -43.5852 -16.8146 -16.8146 -16.8146 -16.8146 -3.2579 -3.2579 -3.2579 -3.2579 -2.0819 -2.0819 -2.0819 -2.0819 -1.4731 -1.4731 -1.4731 -1.4731 8.5076 8.5076 8.5076 8.5076 10.1620 10.1620 k = 0.5000 0.5000-0.0000 ( 6544 PWs) bands (ev): -43.5827 -43.5827 -43.5827 -43.5827 -16.8341 -16.8341 -16.8341 -16.8341 -2.8948 -2.8948 -2.8948 -2.8948 -2.1423 -2.1423 -2.1423 -2.1423 -1.8535 -1.8535 -1.8535 -1.8535 7.5101 7.5101 7.5101 7.5101 11.2996 11.2996 k = 0.5000 0.5000 0.0111 ( 6564 PWs) bands (ev): -43.5827 -43.5827 -43.5827 -43.5827 -16.8341 -16.8341 -16.8341 -16.8341 -2.8944 -2.8944 -2.8944 -2.8944 -2.1427 -2.1427 -2.1427 -2.1427 -1.8539 -1.8539 -1.8539 -1.8539 7.5120 7.5120 7.5120 7.5120 11.2967 11.2967 k = 0.5000 0.5000 0.0221 ( 6572 PWs) bands (ev): -43.5827 -43.5827 -43.5827 -43.5827 -16.8340 -16.8340 -16.8340 -16.8340 -2.8934 -2.8934 -2.8934 -2.8934 -2.1439 -2.1439 -2.1439 -2.1439 -1.8553 -1.8553 -1.8553 -1.8553 7.5176 7.5176 7.5176 7.5176 11.2882 11.2882 k = 0.5000 0.5000 0.0332 ( 6576 PWs) bands (ev): -43.5827 -43.5827 -43.5827 -43.5827 -16.8339 -16.8339 -16.8339 -16.8339 -2.8916 -2.8916 -2.8916 -2.8916 -2.1460 -2.1460 -2.1460 -2.1460 -1.8574 -1.8574 -1.8574 -1.8574 7.5269 7.5269 7.5269 7.5269 11.2743 11.2743 k = 0.5000 0.5000 0.0443 ( 6560 PWs) bands (ev): -43.5827 -43.5827 -43.5827 -43.5827 -16.8338 -16.8338 -16.8338 -16.8338 -2.8892 -2.8892 -2.8892 -2.8892 -2.1489 -2.1489 -2.1489 -2.1489 -1.8605 -1.8605 -1.8605 -1.8605 7.5398 7.5398 7.5398 7.5398 11.2553 11.2553 k = 0.5000 0.5000 0.0553 ( 6552 PWs) bands (ev): -43.5827 -43.5827 -43.5827 -43.5827 -16.8336 -16.8336 -16.8336 -16.8336 -2.8860 -2.8860 -2.8860 -2.8860 -2.1526 -2.1526 -2.1526 -2.1526 -1.8643 -1.8643 -1.8643 -1.8643 7.5563 7.5563 7.5563 7.5563 11.2316 11.2316 k = 0.5000 0.5000 0.0664 ( 6552 PWs) bands (ev): -43.5827 -43.5827 -43.5827 -43.5827 -16.8334 -16.8334 -16.8334 -16.8334 -2.8822 -2.8822 -2.8822 -2.8822 -2.1570 -2.1570 -2.1570 -2.1570 -1.8691 -1.8691 -1.8691 -1.8691 7.5764 7.5764 7.5764 7.5764 11.2038 11.2038 k = 0.5000 0.5000 0.0775 ( 6528 PWs) bands (ev): -43.5827 -43.5827 -43.5827 -43.5827 -16.8332 -16.8332 -16.8332 -16.8332 -2.8777 -2.8777 -2.8777 -2.8777 -2.1622 -2.1622 -2.1622 -2.1622 -1.8746 -1.8746 -1.8746 -1.8746 7.5999 7.5999 7.5999 7.5999 11.1725 11.1725 k = 0.5000 0.5000 0.0885 ( 6536 PWs) bands (ev): -43.5827 -43.5827 -43.5827 -43.5827 -16.8330 -16.8330 -16.8330 -16.8330 -2.8725 -2.8725 -2.8725 -2.8725 -2.1680 -2.1680 -2.1680 -2.1680 -1.8809 -1.8809 -1.8809 -1.8809 7.6267 7.6267 7.6267 7.6267 11.1381 11.1381 k = 0.5000 0.5000 0.0996 ( 6536 PWs) bands (ev): -43.5827 -43.5827 -43.5827 -43.5827 -16.8327 -16.8327 -16.8327 -16.8327 -2.8667 -2.8667 -2.8667 -2.8667 -2.1745 -2.1745 -2.1745 -2.1745 -1.8881 -1.8881 -1.8881 -1.8881 7.6566 7.6566 7.6566 7.6566 11.1013 11.1013 k = 0.5000 0.5000 0.1107 ( 6520 PWs) bands (ev): -43.5827 -43.5827 -43.5827 -43.5827 -16.8324 -16.8324 -16.8324 -16.8324 -2.8602 -2.8602 -2.8602 -2.8602 -2.1815 -2.1815 -2.1815 -2.1815 -1.8959 -1.8959 -1.8959 -1.8959 7.6896 7.6896 7.6896 7.6896 11.0626 11.0626 k = 0.5000 0.5000 0.1217 ( 6520 PWs) bands (ev): -43.5827 -43.5827 -43.5827 -43.5827 -16.8320 -16.8320 -16.8320 -16.8320 -2.8531 -2.8531 -2.8531 -2.8531 -2.1891 -2.1891 -2.1891 -2.1891 -1.9046 -1.9046 -1.9046 -1.9046 7.7255 7.7255 7.7255 7.7255 11.0224 11.0224 k = 0.5000 0.5000 0.1328 ( 6520 PWs) bands (ev): -43.5827 -43.5827 -43.5827 -43.5827 -16.8317 -16.8317 -16.8317 -16.8317 -2.8454 -2.8454 -2.8454 -2.8454 -2.1971 -2.1971 -2.1971 -2.1971 -1.9139 -1.9139 -1.9139 -1.9139 7.7641 7.7641 7.7641 7.7641 10.9813 10.9813 k = 0.5000 0.5000 0.1439 ( 6520 PWs) bands (ev): -43.5827 -43.5827 -43.5827 -43.5827 -16.8313 -16.8313 -16.8313 -16.8313 -2.8372 -2.8372 -2.8372 -2.8372 -2.2056 -2.2056 -2.2056 -2.2056 -1.9239 -1.9239 -1.9239 -1.9239 7.8052 7.8052 7.8052 7.8052 10.9397 10.9397 k = 0.5000 0.5000 0.1549 ( 6504 PWs) bands (ev): -43.5827 -43.5827 -43.5827 -43.5827 -16.8309 -16.8309 -16.8309 -16.8309 -2.8284 -2.8284 -2.8284 -2.8283 -2.2143 -2.2143 -2.2143 -2.2143 -1.9345 -1.9345 -1.9345 -1.9345 7.8486 7.8486 7.8486 7.8486 10.8979 10.8979 k = 0.5000 0.5000 0.1660 ( 6492 PWs) bands (ev): -43.5826 -43.5826 -43.5826 -43.5826 -16.8305 -16.8305 -16.8305 -16.8305 -2.8190 -2.8190 -2.8190 -2.8190 -2.2234 -2.2234 -2.2234 -2.2234 -1.9457 -1.9457 -1.9457 -1.9457 7.8940 7.8940 7.8940 7.8940 10.8564 10.8564 k = 0.5000 0.5000 0.1771 ( 6488 PWs) bands (ev): -43.5826 -43.5826 -43.5826 -43.5826 -16.8301 -16.8301 -16.8301 -16.8301 -2.8091 -2.8091 -2.8091 -2.8091 -2.2326 -2.2326 -2.2326 -2.2326 -1.9574 -1.9574 -1.9574 -1.9574 7.9413 7.9413 7.9413 7.9413 10.8152 10.8152 k = 0.5000 0.5000 0.1881 ( 6496 PWs) bands (ev): -43.5826 -43.5826 -43.5826 -43.5826 -16.8297 -16.8297 -16.8297 -16.8297 -2.7988 -2.7988 -2.7988 -2.7988 -2.2420 -2.2420 -2.2420 -2.2420 -1.9697 -1.9697 -1.9697 -1.9697 7.9901 7.9901 7.9901 7.9901 10.7749 10.7749 k = 0.5000 0.5000 0.1992 ( 6500 PWs) bands (ev): -43.5826 -43.5826 -43.5826 -43.5826 -16.8293 -16.8293 -16.8293 -16.8293 -2.7881 -2.7881 -2.7881 -2.7881 -2.2515 -2.2515 -2.2515 -2.2515 -1.9824 -1.9824 -1.9824 -1.9824 8.0401 8.0401 8.0401 8.0401 10.7355 10.7355 k = 0.5000 0.5000 0.2103 ( 6484 PWs) bands (ev): -43.5826 -43.5826 -43.5826 -43.5826 -16.8288 -16.8288 -16.8288 -16.8288 -2.7769 -2.7769 -2.7769 -2.7769 -2.2609 -2.2609 -2.2609 -2.2609 -1.9955 -1.9955 -1.9955 -1.9955 8.0911 8.0911 8.0911 8.0911 10.6973 10.6973 k = 0.5000 0.5000 0.2213 ( 6492 PWs) bands (ev): -43.5826 -43.5826 -43.5826 -43.5826 -16.8284 -16.8284 -16.8284 -16.8284 -2.7655 -2.7655 -2.7655 -2.7655 -2.2703 -2.2703 -2.2703 -2.2703 -2.0090 -2.0090 -2.0090 -2.0090 8.1427 8.1427 8.1427 8.1427 10.6604 10.6604 k = 0.5000 0.5000 0.2324 ( 6492 PWs) bands (ev): -43.5826 -43.5826 -43.5826 -43.5826 -16.8280 -16.8280 -16.8280 -16.8280 -2.7537 -2.7537 -2.7537 -2.7537 -2.2795 -2.2795 -2.2795 -2.2795 -2.0227 -2.0227 -2.0227 -2.0227 8.1945 8.1945 8.1945 8.1945 10.6250 10.6250 k = 0.5000 0.5000 0.2434 ( 6512 PWs) bands (ev): -43.5826 -43.5826 -43.5826 -43.5826 -16.8276 -16.8276 -16.8276 -16.8276 -2.7417 -2.7417 -2.7417 -2.7417 -2.2886 -2.2886 -2.2886 -2.2886 -2.0366 -2.0366 -2.0366 -2.0366 8.2463 8.2463 8.2463 8.2463 10.5913 10.5913 k = 0.5000 0.5000 0.2545 ( 6516 PWs) bands (ev): -43.5826 -43.5826 -43.5826 -43.5826 -16.8272 -16.8272 -16.8272 -16.8272 -2.7295 -2.7295 -2.7295 -2.7295 -2.2974 -2.2974 -2.2974 -2.2974 -2.0506 -2.0506 -2.0506 -2.0506 8.2976 8.2976 8.2976 8.2976 10.5593 10.5593 k = 0.5000 0.5000 0.2656 ( 6524 PWs) bands (ev): -43.5826 -43.5826 -43.5826 -43.5826 -16.8268 -16.8268 -16.8268 -16.8268 -2.7173 -2.7173 -2.7173 -2.7173 -2.3058 -2.3058 -2.3058 -2.3058 -2.0646 -2.0646 -2.0646 -2.0646 8.3481 8.3481 8.3481 8.3481 10.5292 10.5292 k = 0.5000 0.5000 0.2766 ( 6516 PWs) bands (ev): -43.5826 -43.5826 -43.5826 -43.5826 -16.8264 -16.8264 -16.8264 -16.8264 -2.7051 -2.7051 -2.7051 -2.7051 -2.3139 -2.3139 -2.3139 -2.3139 -2.0786 -2.0786 -2.0786 -2.0786 8.3972 8.3972 8.3972 8.3972 10.5011 10.5011 k = 0.5000 0.5000 0.2877 ( 6516 PWs) bands (ev): -43.5826 -43.5826 -43.5826 -43.5826 -16.8261 -16.8261 -16.8261 -16.8261 -2.6929 -2.6929 -2.6929 -2.6929 -2.3215 -2.3215 -2.3215 -2.3215 -2.0924 -2.0924 -2.0923 -2.0923 8.4446 8.4446 8.4446 8.4446 10.4750 10.4750 k = 0.5000 0.5000 0.2988 ( 6524 PWs) bands (ev): -43.5826 -43.5826 -43.5826 -43.5826 -16.8257 -16.8257 -16.8257 -16.8257 -2.6810 -2.6810 -2.6810 -2.6810 -2.3287 -2.3287 -2.3287 -2.3287 -2.1058 -2.1058 -2.1058 -2.1058 8.4899 8.4899 8.4899 8.4899 10.4509 10.4509 k = 0.5000 0.5000 0.3098 ( 6516 PWs) bands (ev): -43.5826 -43.5826 -43.5826 -43.5826 -16.8254 -16.8254 -16.8254 -16.8254 -2.6694 -2.6694 -2.6694 -2.6694 -2.3353 -2.3353 -2.3353 -2.3353 -2.1188 -2.1188 -2.1188 -2.1188 8.5326 8.5326 8.5326 8.5326 10.4290 10.4290 k = 0.5000 0.5000 0.3209 ( 6508 PWs) bands (ev): -43.5826 -43.5826 -43.5826 -43.5826 -16.8251 -16.8251 -16.8251 -16.8251 -2.6583 -2.6583 -2.6583 -2.6583 -2.3413 -2.3413 -2.3413 -2.3413 -2.1312 -2.1312 -2.1312 -2.1312 8.5723 8.5723 8.5723 8.5723 10.4093 10.4093 k = 0.5000 0.5000 0.3320 ( 6508 PWs) bands (ev): -43.5826 -43.5826 -43.5826 -43.5826 -16.8249 -16.8249 -16.8249 -16.8249 -2.6479 -2.6479 -2.6479 -2.6479 -2.3467 -2.3467 -2.3467 -2.3467 -2.1428 -2.1428 -2.1428 -2.1428 8.6086 8.6086 8.6086 8.6086 10.3918 10.3918 k = 0.5000 0.5000 0.3430 ( 6508 PWs) bands (ev): -43.5826 -43.5826 -43.5826 -43.5826 -16.8247 -16.8247 -16.8247 -16.8247 -2.6382 -2.6382 -2.6382 -2.6382 -2.3515 -2.3515 -2.3515 -2.3515 -2.1535 -2.1535 -2.1535 -2.1535 8.6409 8.6409 8.6409 8.6409 10.3766 10.3766 k = 0.5000 0.5000 0.3541 ( 6508 PWs) bands (ev): -43.5826 -43.5826 -43.5826 -43.5826 -16.8245 -16.8245 -16.8245 -16.8245 -2.6296 -2.6296 -2.6296 -2.6296 -2.3556 -2.3556 -2.3556 -2.3556 -2.1630 -2.1630 -2.1630 -2.1630 8.6691 8.6691 8.6691 8.6691 10.3637 10.3637 k = 0.5000 0.5000 0.3652 ( 6524 PWs) bands (ev): -43.5826 -43.5826 -43.5826 -43.5826 -16.8243 -16.8243 -16.8243 -16.8243 -2.6222 -2.6222 -2.6222 -2.6222 -2.3590 -2.3590 -2.3590 -2.3590 -2.1712 -2.1712 -2.1712 -2.1712 8.6926 8.6926 8.6926 8.6926 10.3531 10.3531 k = 0.5000 0.5000 0.3762 ( 6524 PWs) bands (ev): -43.5826 -43.5826 -43.5826 -43.5826 -16.8242 -16.8242 -16.8242 -16.8242 -2.6162 -2.6162 -2.6162 -2.6162 -2.3616 -2.3616 -2.3616 -2.3616 -2.1778 -2.1778 -2.1778 -2.1778 8.7113 8.7113 8.7113 8.7113 10.3448 10.3448 k = 0.5000 0.5000 0.3873 ( 6532 PWs) bands (ev): -43.5826 -43.5826 -43.5826 -43.5826 -16.8241 -16.8241 -16.8241 -16.8241 -2.6117 -2.6117 -2.6117 -2.6117 -2.3635 -2.3635 -2.3635 -2.3635 -2.1826 -2.1826 -2.1826 -2.1826 8.7248 8.7248 8.7248 8.7248 10.3389 10.3389 k = 0.5000 0.5000 0.3984 ( 6540 PWs) bands (ev): -43.5826 -43.5826 -43.5826 -43.5826 -16.8240 -16.8240 -16.8240 -16.8240 -2.6090 -2.6090 -2.6090 -2.6090 -2.3647 -2.3647 -2.3647 -2.3647 -2.1856 -2.1856 -2.1856 -2.1856 8.7329 8.7329 8.7329 8.7329 10.3354 10.3354 k = 0.5000 0.5000 0.4094 ( 6552 PWs) bands (ev): -43.5827 -43.5827 -43.5827 -43.5827 -16.8240 -16.8240 -16.8240 -16.8240 -2.6081 -2.6081 -2.6081 -2.6081 -2.3651 -2.3651 -2.3651 -2.3651 -2.1866 -2.1866 -2.1866 -2.1866 8.7357 8.7357 8.7357 8.7357 10.3342 10.3342 Writing output data file Li2O2.save init_run : 0.21s CPU 0.30s WALL ( 1 calls) electrons : 106.86s CPU 108.59s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 106.86s CPU 108.58s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.00s CPU 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.05s WALL ( 426 calls) cegterg : 97.42s CPU 98.69s WALL ( 669 calls) Called by sum_band: Called by *egterg: h_psi : 62.02s CPU 63.37s WALL ( 11278 calls) s_psi : 1.18s CPU 1.14s WALL ( 11278 calls) g_psi : 0.26s CPU 0.23s WALL ( 10183 calls) cdiaghg : 31.98s CPU 32.02s WALL ( 10609 calls) cegterg:over : 3.21s CPU 3.22s WALL ( 10183 calls) cegterg:upda : 3.14s CPU 3.27s WALL ( 10183 calls) cegterg:last : 1.48s CPU 1.52s WALL ( 1535 calls) cdiaghg:chol : 1.72s CPU 1.71s WALL ( 10609 calls) cdiaghg:inve : 0.54s CPU 0.49s WALL ( 10609 calls) cdiaghg:para : 2.26s CPU 2.09s WALL ( 21218 calls) Called by h_psi: h_psi:vloc : 58.85s CPU 60.04s WALL ( 11278 calls) h_psi:vnl : 3.04s CPU 3.17s WALL ( 11278 calls) add_vuspsi : 1.24s CPU 1.29s WALL ( 11278 calls) General routines calbec : 1.76s CPU 1.85s WALL ( 11278 calls) fft : 0.01s CPU 0.00s WALL ( 15 calls) fftw : 55.92s CPU 57.08s WALL ( 531772 calls) davcio : 0.24s CPU 0.23s WALL ( 852 calls) Parallel routines fft_scatter : 18.55s CPU 18.90s WALL ( 531787 calls) PWSCF : 2m 1.08s CPU 2m17.08s WALL This run was terminated on: 20:39:26 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=