Program PWSCF v.5.1.1 starts on 23Jul2015 at 15: 3:53 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 32 processors R & G space division: proc/nbgrp/npool/nimage = 32 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./CN2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 31 17 5 1093 429 75 Max 32 18 6 1100 440 80 Sum 1009 553 177 35099 13877 2461 bravais-lattice index = 14 lattice parameter (alat) = 6.2607 a.u. unit-cell volume = 351.6820 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.260662 celldm(2)= 1.000000 celldm(3)= 1.433142 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 1.433142 ) 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 0.697767 ) PseudoPot. # 1 for C read from file: /home/autes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 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 N read from file: /home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 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 C 4.00 12.01070 C( 1.00) N 5.00 14.00670 N( 1.00) 8 Sym. Ops. (no inversion) found ( 4 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 5 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 -1 0 ) f =( -0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 5) = ( -0.0000000 -1.0000000 0.0000000 ) f =( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 6 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 1 0 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 6) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.5000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 7 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 7) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 8) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group D_2d (-42m) there are 7 classes and 2 irreducible representations the character table: E -E C2 2S4 -2S4 2C2' 2s_d -C2 -2C2' -2s_d G_6 2.00 -2.00 0.00 1.41 -1.41 0.00 0.00 G_7 2.00 -2.00 0.00 -1.41 1.41 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 2C2' -2C2' 3 -3 4 -4 2s_d -2s_d 5 -5 6 -6 2S4 7 8 -E -1 -2S4 -7 -8 Cartesian axes number of k points= 439 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022779 k( 2) = ( 0.0000000 0.0104167 -0.0000000), wk = 0.0022779 k( 3) = ( 0.0000000 0.0208333 -0.0000000), wk = 0.0022779 k( 4) = ( 0.0000000 0.0312500 -0.0000000), wk = 0.0022779 k( 5) = ( 0.0000000 0.0416667 -0.0000000), wk = 0.0022779 k( 6) = ( 0.0000000 0.0520833 -0.0000000), wk = 0.0022779 k( 7) = ( 0.0000000 0.0625000 -0.0000000), wk = 0.0022779 k( 8) = ( 0.0000000 0.0729167 -0.0000000), wk = 0.0022779 k( 9) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0022779 k( 10) = ( 0.0000000 0.0937500 -0.0000000), wk = 0.0022779 k( 11) = ( 0.0000000 0.1041667 -0.0000000), wk = 0.0022779 k( 12) = ( 0.0000000 0.1145833 -0.0000000), wk = 0.0022779 k( 13) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0022779 k( 14) = ( 0.0000000 0.1354167 -0.0000000), wk = 0.0022779 k( 15) = ( 0.0000000 0.1458333 -0.0000000), wk = 0.0022779 k( 16) = ( 0.0000000 0.1562500 -0.0000000), wk = 0.0022779 k( 17) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0022779 k( 18) = ( 0.0000000 0.1770833 -0.0000000), wk = 0.0022779 k( 19) = ( 0.0000000 0.1875000 -0.0000000), wk = 0.0022779 k( 20) = ( 0.0000000 0.1979167 -0.0000000), wk = 0.0022779 k( 21) = ( 0.0000000 0.2083333 -0.0000000), wk = 0.0022779 k( 22) = ( 0.0000000 0.2187500 -0.0000000), wk = 0.0022779 k( 23) = ( 0.0000000 0.2291667 -0.0000000), wk = 0.0022779 k( 24) = ( 0.0000000 0.2395833 -0.0000000), wk = 0.0022779 k( 25) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0022779 k( 26) = ( 0.0000000 0.2604167 -0.0000000), wk = 0.0022779 k( 27) = ( 0.0000000 0.2708333 -0.0000000), wk = 0.0022779 k( 28) = ( 0.0000000 0.2812500 -0.0000000), wk = 0.0022779 k( 29) = ( 0.0000000 0.2916667 -0.0000000), wk = 0.0022779 k( 30) = ( 0.0000000 0.3020833 -0.0000000), wk = 0.0022779 k( 31) = ( 0.0000000 0.3125000 -0.0000000), wk = 0.0022779 k( 32) = ( 0.0000000 0.3229167 -0.0000000), wk = 0.0022779 k( 33) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0022779 k( 34) = ( 0.0000000 0.3437500 -0.0000000), wk = 0.0022779 k( 35) = ( 0.0000000 0.3541667 -0.0000000), wk = 0.0022779 k( 36) = ( 0.0000000 0.3645833 -0.0000000), wk = 0.0022779 k( 37) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0022779 k( 38) = ( 0.0000000 0.3854167 -0.0000000), wk = 0.0022779 k( 39) = ( 0.0000000 0.3958333 -0.0000000), wk = 0.0022779 k( 40) = ( 0.0000000 0.4062500 -0.0000000), wk = 0.0022779 k( 41) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0022779 k( 42) = ( 0.0000000 0.4270833 -0.0000000), wk = 0.0022779 k( 43) = ( 0.0000000 0.4375000 -0.0000000), wk = 0.0022779 k( 44) = ( 0.0000000 0.4479167 -0.0000000), wk = 0.0022779 k( 45) = ( 0.0000000 0.4583333 -0.0000000), wk = 0.0022779 k( 46) = ( 0.0000000 0.4687500 -0.0000000), wk = 0.0022779 k( 47) = ( 0.0000000 0.4791667 -0.0000000), wk = 0.0022779 k( 48) = ( 0.0000000 0.4895833 -0.0000000), wk = 0.0022779 k( 49) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0022779 k( 50) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0022779 k( 51) = ( 0.0104167 0.5000000 -0.0000000), wk = 0.0022779 k( 52) = ( 0.0208333 0.5000000 -0.0000000), wk = 0.0022779 k( 53) = ( 0.0312500 0.5000000 -0.0000000), wk = 0.0022779 k( 54) = ( 0.0416667 0.5000000 -0.0000000), wk = 0.0022779 k( 55) = ( 0.0520833 0.5000000 -0.0000000), wk = 0.0022779 k( 56) = ( 0.0625000 0.5000000 -0.0000000), wk = 0.0022779 k( 57) = ( 0.0729167 0.5000000 -0.0000000), wk = 0.0022779 k( 58) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0022779 k( 59) = ( 0.0937500 0.5000000 -0.0000000), wk = 0.0022779 k( 60) = ( 0.1041667 0.5000000 -0.0000000), wk = 0.0022779 k( 61) = ( 0.1145833 0.5000000 -0.0000000), wk = 0.0022779 k( 62) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0022779 k( 63) = ( 0.1354167 0.5000000 -0.0000000), wk = 0.0022779 k( 64) = ( 0.1458333 0.5000000 -0.0000000), wk = 0.0022779 k( 65) = ( 0.1562500 0.5000000 -0.0000000), wk = 0.0022779 k( 66) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0022779 k( 67) = ( 0.1770833 0.5000000 -0.0000000), wk = 0.0022779 k( 68) = ( 0.1875000 0.5000000 -0.0000000), wk = 0.0022779 k( 69) = ( 0.1979167 0.5000000 -0.0000000), wk = 0.0022779 k( 70) = ( 0.2083333 0.5000000 -0.0000000), wk = 0.0022779 k( 71) = ( 0.2187500 0.5000000 -0.0000000), wk = 0.0022779 k( 72) = ( 0.2291667 0.5000000 -0.0000000), wk = 0.0022779 k( 73) = ( 0.2395833 0.5000000 -0.0000000), wk = 0.0022779 k( 74) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0022779 k( 75) = ( 0.2604167 0.5000000 -0.0000000), wk = 0.0022779 k( 76) = ( 0.2708333 0.5000000 -0.0000000), wk = 0.0022779 k( 77) = ( 0.2812500 0.5000000 -0.0000000), wk = 0.0022779 k( 78) = ( 0.2916667 0.5000000 -0.0000000), wk = 0.0022779 k( 79) = ( 0.3020833 0.5000000 -0.0000000), wk = 0.0022779 k( 80) = ( 0.3125000 0.5000000 -0.0000000), wk = 0.0022779 k( 81) = ( 0.3229167 0.5000000 -0.0000000), wk = 0.0022779 k( 82) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0022779 k( 83) = ( 0.3437500 0.5000000 -0.0000000), wk = 0.0022779 k( 84) = ( 0.3541667 0.5000000 -0.0000000), wk = 0.0022779 k( 85) = ( 0.3645833 0.5000000 -0.0000000), wk = 0.0022779 k( 86) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0022779 k( 87) = ( 0.3854167 0.5000000 -0.0000000), wk = 0.0022779 k( 88) = ( 0.3958333 0.5000000 -0.0000000), wk = 0.0022779 k( 89) = ( 0.4062500 0.5000000 -0.0000000), wk = 0.0022779 k( 90) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0022779 k( 91) = ( 0.4270833 0.5000000 -0.0000000), wk = 0.0022779 k( 92) = ( 0.4375000 0.5000000 -0.0000000), wk = 0.0022779 k( 93) = ( 0.4479167 0.5000000 -0.0000000), wk = 0.0022779 k( 94) = ( 0.4583333 0.5000000 -0.0000000), wk = 0.0022779 k( 95) = ( 0.4687500 0.5000000 -0.0000000), wk = 0.0022779 k( 96) = ( 0.4791667 0.5000000 -0.0000000), wk = 0.0022779 k( 97) = ( 0.4895833 0.5000000 -0.0000000), wk = 0.0022779 k( 98) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0022779 k( 99) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0022779 k( 100) = ( 0.4926471 0.4926471 -0.0000000), wk = 0.0022779 k( 101) = ( 0.4852941 0.4852941 -0.0000000), wk = 0.0022779 k( 102) = ( 0.4779412 0.4779412 -0.0000000), wk = 0.0022779 k( 103) = ( 0.4705882 0.4705882 -0.0000000), wk = 0.0022779 k( 104) = ( 0.4632353 0.4632353 -0.0000000), wk = 0.0022779 k( 105) = ( 0.4558823 0.4558823 -0.0000000), wk = 0.0022779 k( 106) = ( 0.4485294 0.4485294 -0.0000000), wk = 0.0022779 k( 107) = ( 0.4411765 0.4411765 -0.0000000), wk = 0.0022779 k( 108) = ( 0.4338235 0.4338235 -0.0000000), wk = 0.0022779 k( 109) = ( 0.4264706 0.4264706 -0.0000000), wk = 0.0022779 k( 110) = ( 0.4191177 0.4191176 -0.0000000), wk = 0.0022779 k( 111) = ( 0.4117647 0.4117647 -0.0000000), wk = 0.0022779 k( 112) = ( 0.4044118 0.4044118 -0.0000000), wk = 0.0022779 k( 113) = ( 0.3970588 0.3970588 -0.0000000), wk = 0.0022779 k( 114) = ( 0.3897059 0.3897059 -0.0000000), wk = 0.0022779 k( 115) = ( 0.3823529 0.3823529 -0.0000000), wk = 0.0022779 k( 116) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0022779 k( 117) = ( 0.3676471 0.3676471 -0.0000000), wk = 0.0022779 k( 118) = ( 0.3602941 0.3602941 -0.0000000), wk = 0.0022779 k( 119) = ( 0.3529412 0.3529412 -0.0000000), wk = 0.0022779 k( 120) = ( 0.3455882 0.3455882 -0.0000000), wk = 0.0022779 k( 121) = ( 0.3382353 0.3382353 -0.0000000), wk = 0.0022779 k( 122) = ( 0.3308823 0.3308823 -0.0000000), wk = 0.0022779 k( 123) = ( 0.3235294 0.3235294 -0.0000000), wk = 0.0022779 k( 124) = ( 0.3161765 0.3161765 -0.0000000), wk = 0.0022779 k( 125) = ( 0.3088235 0.3088235 -0.0000000), wk = 0.0022779 k( 126) = ( 0.3014706 0.3014706 -0.0000000), wk = 0.0022779 k( 127) = ( 0.2941177 0.2941176 -0.0000000), wk = 0.0022779 k( 128) = ( 0.2867647 0.2867647 -0.0000000), wk = 0.0022779 k( 129) = ( 0.2794118 0.2794118 -0.0000000), wk = 0.0022779 k( 130) = ( 0.2720588 0.2720588 -0.0000000), wk = 0.0022779 k( 131) = ( 0.2647059 0.2647059 -0.0000000), wk = 0.0022779 k( 132) = ( 0.2573529 0.2573529 -0.0000000), wk = 0.0022779 k( 133) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0022779 k( 134) = ( 0.2426471 0.2426471 -0.0000000), wk = 0.0022779 k( 135) = ( 0.2352941 0.2352941 -0.0000000), wk = 0.0022779 k( 136) = ( 0.2279412 0.2279412 -0.0000000), wk = 0.0022779 k( 137) = ( 0.2205882 0.2205882 -0.0000000), wk = 0.0022779 k( 138) = ( 0.2132353 0.2132353 -0.0000000), wk = 0.0022779 k( 139) = ( 0.2058823 0.2058823 -0.0000000), wk = 0.0022779 k( 140) = ( 0.1985294 0.1985294 -0.0000000), wk = 0.0022779 k( 141) = ( 0.1911765 0.1911765 -0.0000000), wk = 0.0022779 k( 142) = ( 0.1838235 0.1838235 -0.0000000), wk = 0.0022779 k( 143) = ( 0.1764706 0.1764706 -0.0000000), wk = 0.0022779 k( 144) = ( 0.1691177 0.1691176 -0.0000000), wk = 0.0022779 k( 145) = ( 0.1617647 0.1617647 -0.0000000), wk = 0.0022779 k( 146) = ( 0.1544118 0.1544118 -0.0000000), wk = 0.0022779 k( 147) = ( 0.1470588 0.1470588 -0.0000000), wk = 0.0022779 k( 148) = ( 0.1397059 0.1397059 -0.0000000), wk = 0.0022779 k( 149) = ( 0.1323529 0.1323529 -0.0000000), wk = 0.0022779 k( 150) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0022779 k( 151) = ( 0.1176471 0.1176471 -0.0000000), wk = 0.0022779 k( 152) = ( 0.1102941 0.1102941 -0.0000000), wk = 0.0022779 k( 153) = ( 0.1029412 0.1029412 -0.0000000), wk = 0.0022779 k( 154) = ( 0.0955882 0.0955882 -0.0000000), wk = 0.0022779 k( 155) = ( 0.0882353 0.0882353 -0.0000000), wk = 0.0022779 k( 156) = ( 0.0808824 0.0808823 -0.0000000), wk = 0.0022779 k( 157) = ( 0.0735294 0.0735294 -0.0000000), wk = 0.0022779 k( 158) = ( 0.0661765 0.0661765 -0.0000000), wk = 0.0022779 k( 159) = ( 0.0588235 0.0588235 -0.0000000), wk = 0.0022779 k( 160) = ( 0.0514706 0.0514706 -0.0000000), wk = 0.0022779 k( 161) = ( 0.0441177 0.0441176 -0.0000000), wk = 0.0022779 k( 162) = ( 0.0367647 0.0367647 -0.0000000), wk = 0.0022779 k( 163) = ( 0.0294118 0.0294118 -0.0000000), wk = 0.0022779 k( 164) = ( 0.0220588 0.0220588 -0.0000000), wk = 0.0022779 k( 165) = ( 0.0147059 0.0147059 -0.0000000), wk = 0.0022779 k( 166) = ( 0.0073529 0.0073529 -0.0000000), wk = 0.0022779 k( 167) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022779 k( 168) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022779 k( 169) = ( 0.0000000 0.0000000 0.0102613), wk = 0.0022779 k( 170) = ( 0.0000000 0.0000000 0.0205226), wk = 0.0022779 k( 171) = ( 0.0000000 0.0000000 0.0307839), wk = 0.0022779 k( 172) = ( 0.0000000 0.0000000 0.0410451), wk = 0.0022779 k( 173) = ( 0.0000000 0.0000000 0.0513064), wk = 0.0022779 k( 174) = ( 0.0000000 0.0000000 0.0615677), wk = 0.0022779 k( 175) = ( 0.0000000 0.0000000 0.0718290), wk = 0.0022779 k( 176) = ( 0.0000000 0.0000000 0.0820903), wk = 0.0022779 k( 177) = ( 0.0000000 0.0000000 0.0923516), wk = 0.0022779 k( 178) = ( 0.0000000 0.0000000 0.1026129), wk = 0.0022779 k( 179) = ( 0.0000000 0.0000000 0.1128742), wk = 0.0022779 k( 180) = ( 0.0000000 0.0000000 0.1231354), wk = 0.0022779 k( 181) = ( 0.0000000 0.0000000 0.1333967), wk = 0.0022779 k( 182) = ( 0.0000000 0.0000000 0.1436580), wk = 0.0022779 k( 183) = ( 0.0000000 0.0000000 0.1539193), wk = 0.0022779 k( 184) = ( 0.0000000 0.0000000 0.1641806), wk = 0.0022779 k( 185) = ( 0.0000000 0.0000000 0.1744419), wk = 0.0022779 k( 186) = ( 0.0000000 0.0000000 0.1847032), wk = 0.0022779 k( 187) = ( 0.0000000 0.0000000 0.1949644), wk = 0.0022779 k( 188) = ( 0.0000000 0.0000000 0.2052257), wk = 0.0022779 k( 189) = ( 0.0000000 0.0000000 0.2154870), wk = 0.0022779 k( 190) = ( 0.0000000 0.0000000 0.2257483), wk = 0.0022779 k( 191) = ( 0.0000000 0.0000000 0.2360096), wk = 0.0022779 k( 192) = ( 0.0000000 0.0000000 0.2462709), wk = 0.0022779 k( 193) = ( 0.0000000 0.0000000 0.2565322), wk = 0.0022779 k( 194) = ( 0.0000000 0.0000000 0.2667934), wk = 0.0022779 k( 195) = ( 0.0000000 0.0000000 0.2770547), wk = 0.0022779 k( 196) = ( 0.0000000 0.0000000 0.2873160), wk = 0.0022779 k( 197) = ( 0.0000000 0.0000000 0.2975773), wk = 0.0022779 k( 198) = ( 0.0000000 0.0000000 0.3078386), wk = 0.0022779 k( 199) = ( 0.0000000 0.0000000 0.3180999), wk = 0.0022779 k( 200) = ( 0.0000000 0.0000000 0.3283612), wk = 0.0022779 k( 201) = ( 0.0000000 0.0000000 0.3386225), wk = 0.0022779 k( 202) = ( 0.0000000 0.0000000 0.3488837), wk = 0.0022779 k( 203) = ( 0.0000000 0.0000000 0.3488837), wk = 0.0022779 k( 204) = ( 0.0000000 0.0104167 0.3488837), wk = 0.0022779 k( 205) = ( 0.0000000 0.0208333 0.3488837), wk = 0.0022779 k( 206) = ( 0.0000000 0.0312500 0.3488837), wk = 0.0022779 k( 207) = ( 0.0000000 0.0416667 0.3488837), wk = 0.0022779 k( 208) = ( 0.0000000 0.0520833 0.3488837), wk = 0.0022779 k( 209) = ( 0.0000000 0.0625000 0.3488837), wk = 0.0022779 k( 210) = ( 0.0000000 0.0729167 0.3488837), wk = 0.0022779 k( 211) = ( 0.0000000 0.0833333 0.3488837), wk = 0.0022779 k( 212) = ( 0.0000000 0.0937500 0.3488837), wk = 0.0022779 k( 213) = ( 0.0000000 0.1041667 0.3488837), wk = 0.0022779 k( 214) = ( 0.0000000 0.1145833 0.3488837), wk = 0.0022779 k( 215) = ( 0.0000000 0.1250000 0.3488837), wk = 0.0022779 k( 216) = ( 0.0000000 0.1354167 0.3488837), wk = 0.0022779 k( 217) = ( 0.0000000 0.1458333 0.3488837), wk = 0.0022779 k( 218) = ( 0.0000000 0.1562500 0.3488837), wk = 0.0022779 k( 219) = ( 0.0000000 0.1666667 0.3488837), wk = 0.0022779 k( 220) = ( 0.0000000 0.1770833 0.3488837), wk = 0.0022779 k( 221) = ( 0.0000000 0.1875000 0.3488837), wk = 0.0022779 k( 222) = ( 0.0000000 0.1979167 0.3488837), wk = 0.0022779 k( 223) = ( 0.0000000 0.2083333 0.3488837), wk = 0.0022779 k( 224) = ( 0.0000000 0.2187500 0.3488837), wk = 0.0022779 k( 225) = ( 0.0000000 0.2291667 0.3488837), wk = 0.0022779 k( 226) = ( 0.0000000 0.2395833 0.3488837), wk = 0.0022779 k( 227) = ( 0.0000000 0.2500000 0.3488837), wk = 0.0022779 k( 228) = ( 0.0000000 0.2604167 0.3488837), wk = 0.0022779 k( 229) = ( 0.0000000 0.2708333 0.3488837), wk = 0.0022779 k( 230) = ( 0.0000000 0.2812500 0.3488837), wk = 0.0022779 k( 231) = ( 0.0000000 0.2916667 0.3488837), wk = 0.0022779 k( 232) = ( 0.0000000 0.3020833 0.3488837), wk = 0.0022779 k( 233) = ( 0.0000000 0.3125000 0.3488837), wk = 0.0022779 k( 234) = ( 0.0000000 0.3229167 0.3488837), wk = 0.0022779 k( 235) = ( 0.0000000 0.3333333 0.3488837), wk = 0.0022779 k( 236) = ( 0.0000000 0.3437500 0.3488837), wk = 0.0022779 k( 237) = ( 0.0000000 0.3541667 0.3488837), wk = 0.0022779 k( 238) = ( 0.0000000 0.3645833 0.3488837), wk = 0.0022779 k( 239) = ( 0.0000000 0.3750000 0.3488837), wk = 0.0022779 k( 240) = ( 0.0000000 0.3854167 0.3488837), wk = 0.0022779 k( 241) = ( 0.0000000 0.3958333 0.3488837), wk = 0.0022779 k( 242) = ( 0.0000000 0.4062500 0.3488837), wk = 0.0022779 k( 243) = ( 0.0000000 0.4166667 0.3488837), wk = 0.0022779 k( 244) = ( 0.0000000 0.4270833 0.3488837), wk = 0.0022779 k( 245) = ( 0.0000000 0.4375000 0.3488837), wk = 0.0022779 k( 246) = ( 0.0000000 0.4479167 0.3488837), wk = 0.0022779 k( 247) = ( 0.0000000 0.4583333 0.3488837), wk = 0.0022779 k( 248) = ( 0.0000000 0.4687500 0.3488837), wk = 0.0022779 k( 249) = ( 0.0000000 0.4791667 0.3488837), wk = 0.0022779 k( 250) = ( 0.0000000 0.4895833 0.3488837), wk = 0.0022779 k( 251) = ( 0.0000000 0.5000000 0.3488837), wk = 0.0022779 k( 252) = ( 0.0000000 0.5000000 0.3488837), wk = 0.0022779 k( 253) = ( 0.0104167 0.5000000 0.3488837), wk = 0.0022779 k( 254) = ( 0.0208333 0.5000000 0.3488837), wk = 0.0022779 k( 255) = ( 0.0312500 0.5000000 0.3488837), wk = 0.0022779 k( 256) = ( 0.0416667 0.5000000 0.3488837), wk = 0.0022779 k( 257) = ( 0.0520833 0.5000000 0.3488837), wk = 0.0022779 k( 258) = ( 0.0625000 0.5000000 0.3488837), wk = 0.0022779 k( 259) = ( 0.0729167 0.5000000 0.3488837), wk = 0.0022779 k( 260) = ( 0.0833333 0.5000000 0.3488837), wk = 0.0022779 k( 261) = ( 0.0937500 0.5000000 0.3488837), wk = 0.0022779 k( 262) = ( 0.1041667 0.5000000 0.3488837), wk = 0.0022779 k( 263) = ( 0.1145833 0.5000000 0.3488837), wk = 0.0022779 k( 264) = ( 0.1250000 0.5000000 0.3488837), wk = 0.0022779 k( 265) = ( 0.1354167 0.5000000 0.3488837), wk = 0.0022779 k( 266) = ( 0.1458333 0.5000000 0.3488837), wk = 0.0022779 k( 267) = ( 0.1562500 0.5000000 0.3488837), wk = 0.0022779 k( 268) = ( 0.1666667 0.5000000 0.3488837), wk = 0.0022779 k( 269) = ( 0.1770833 0.5000000 0.3488837), wk = 0.0022779 k( 270) = ( 0.1875000 0.5000000 0.3488837), wk = 0.0022779 k( 271) = ( 0.1979167 0.5000000 0.3488837), wk = 0.0022779 k( 272) = ( 0.2083333 0.5000000 0.3488837), wk = 0.0022779 k( 273) = ( 0.2187500 0.5000000 0.3488837), wk = 0.0022779 k( 274) = ( 0.2291667 0.5000000 0.3488837), wk = 0.0022779 k( 275) = ( 0.2395833 0.5000000 0.3488837), wk = 0.0022779 k( 276) = ( 0.2500000 0.5000000 0.3488837), wk = 0.0022779 k( 277) = ( 0.2604167 0.5000000 0.3488837), wk = 0.0022779 k( 278) = ( 0.2708333 0.5000000 0.3488837), wk = 0.0022779 k( 279) = ( 0.2812500 0.5000000 0.3488837), wk = 0.0022779 k( 280) = ( 0.2916667 0.5000000 0.3488837), wk = 0.0022779 k( 281) = ( 0.3020833 0.5000000 0.3488837), wk = 0.0022779 k( 282) = ( 0.3125000 0.5000000 0.3488837), wk = 0.0022779 k( 283) = ( 0.3229167 0.5000000 0.3488837), wk = 0.0022779 k( 284) = ( 0.3333333 0.5000000 0.3488837), wk = 0.0022779 k( 285) = ( 0.3437500 0.5000000 0.3488837), wk = 0.0022779 k( 286) = ( 0.3541667 0.5000000 0.3488837), wk = 0.0022779 k( 287) = ( 0.3645833 0.5000000 0.3488837), wk = 0.0022779 k( 288) = ( 0.3750000 0.5000000 0.3488837), wk = 0.0022779 k( 289) = ( 0.3854167 0.5000000 0.3488837), wk = 0.0022779 k( 290) = ( 0.3958333 0.5000000 0.3488837), wk = 0.0022779 k( 291) = ( 0.4062500 0.5000000 0.3488837), wk = 0.0022779 k( 292) = ( 0.4166667 0.5000000 0.3488837), wk = 0.0022779 k( 293) = ( 0.4270833 0.5000000 0.3488837), wk = 0.0022779 k( 294) = ( 0.4375000 0.5000000 0.3488837), wk = 0.0022779 k( 295) = ( 0.4479167 0.5000000 0.3488837), wk = 0.0022779 k( 296) = ( 0.4583333 0.5000000 0.3488837), wk = 0.0022779 k( 297) = ( 0.4687500 0.5000000 0.3488837), wk = 0.0022779 k( 298) = ( 0.4791667 0.5000000 0.3488837), wk = 0.0022779 k( 299) = ( 0.4895833 0.5000000 0.3488837), wk = 0.0022779 k( 300) = ( 0.5000000 0.5000000 0.3488837), wk = 0.0022779 k( 301) = ( 0.5000000 0.5000000 0.3488837), wk = 0.0022779 k( 302) = ( 0.4926471 0.4926471 0.3488837), wk = 0.0022779 k( 303) = ( 0.4852941 0.4852941 0.3488837), wk = 0.0022779 k( 304) = ( 0.4779412 0.4779412 0.3488837), wk = 0.0022779 k( 305) = ( 0.4705882 0.4705882 0.3488837), wk = 0.0022779 k( 306) = ( 0.4632353 0.4632353 0.3488837), wk = 0.0022779 k( 307) = ( 0.4558823 0.4558823 0.3488837), wk = 0.0022779 k( 308) = ( 0.4485294 0.4485294 0.3488837), wk = 0.0022779 k( 309) = ( 0.4411765 0.4411765 0.3488837), wk = 0.0022779 k( 310) = ( 0.4338235 0.4338235 0.3488837), wk = 0.0022779 k( 311) = ( 0.4264706 0.4264706 0.3488837), wk = 0.0022779 k( 312) = ( 0.4191177 0.4191176 0.3488837), wk = 0.0022779 k( 313) = ( 0.4117647 0.4117647 0.3488837), wk = 0.0022779 k( 314) = ( 0.4044118 0.4044118 0.3488837), wk = 0.0022779 k( 315) = ( 0.3970588 0.3970588 0.3488837), wk = 0.0022779 k( 316) = ( 0.3897059 0.3897059 0.3488837), wk = 0.0022779 k( 317) = ( 0.3823529 0.3823529 0.3488837), wk = 0.0022779 k( 318) = ( 0.3750000 0.3750000 0.3488837), wk = 0.0022779 k( 319) = ( 0.3676471 0.3676471 0.3488837), wk = 0.0022779 k( 320) = ( 0.3602941 0.3602941 0.3488837), wk = 0.0022779 k( 321) = ( 0.3529412 0.3529412 0.3488837), wk = 0.0022779 k( 322) = ( 0.3455882 0.3455882 0.3488837), wk = 0.0022779 k( 323) = ( 0.3382353 0.3382353 0.3488837), wk = 0.0022779 k( 324) = ( 0.3308823 0.3308823 0.3488837), wk = 0.0022779 k( 325) = ( 0.3235294 0.3235294 0.3488837), wk = 0.0022779 k( 326) = ( 0.3161765 0.3161765 0.3488837), wk = 0.0022779 k( 327) = ( 0.3088235 0.3088235 0.3488837), wk = 0.0022779 k( 328) = ( 0.3014706 0.3014706 0.3488837), wk = 0.0022779 k( 329) = ( 0.2941177 0.2941176 0.3488837), wk = 0.0022779 k( 330) = ( 0.2867647 0.2867647 0.3488837), wk = 0.0022779 k( 331) = ( 0.2794118 0.2794118 0.3488837), wk = 0.0022779 k( 332) = ( 0.2720588 0.2720588 0.3488837), wk = 0.0022779 k( 333) = ( 0.2647059 0.2647059 0.3488837), wk = 0.0022779 k( 334) = ( 0.2573529 0.2573529 0.3488837), wk = 0.0022779 k( 335) = ( 0.2500000 0.2500000 0.3488837), wk = 0.0022779 k( 336) = ( 0.2426471 0.2426471 0.3488837), wk = 0.0022779 k( 337) = ( 0.2352941 0.2352941 0.3488837), wk = 0.0022779 k( 338) = ( 0.2279412 0.2279412 0.3488837), wk = 0.0022779 k( 339) = ( 0.2205882 0.2205882 0.3488837), wk = 0.0022779 k( 340) = ( 0.2132353 0.2132353 0.3488837), wk = 0.0022779 k( 341) = ( 0.2058823 0.2058823 0.3488837), wk = 0.0022779 k( 342) = ( 0.1985294 0.1985294 0.3488837), wk = 0.0022779 k( 343) = ( 0.1911765 0.1911765 0.3488837), wk = 0.0022779 k( 344) = ( 0.1838235 0.1838235 0.3488837), wk = 0.0022779 k( 345) = ( 0.1764706 0.1764706 0.3488837), wk = 0.0022779 k( 346) = ( 0.1691177 0.1691176 0.3488837), wk = 0.0022779 k( 347) = ( 0.1617647 0.1617647 0.3488837), wk = 0.0022779 k( 348) = ( 0.1544118 0.1544118 0.3488837), wk = 0.0022779 k( 349) = ( 0.1470588 0.1470588 0.3488837), wk = 0.0022779 k( 350) = ( 0.1397059 0.1397059 0.3488837), wk = 0.0022779 k( 351) = ( 0.1323529 0.1323529 0.3488837), wk = 0.0022779 k( 352) = ( 0.1250000 0.1250000 0.3488837), wk = 0.0022779 k( 353) = ( 0.1176471 0.1176471 0.3488837), wk = 0.0022779 k( 354) = ( 0.1102941 0.1102941 0.3488837), wk = 0.0022779 k( 355) = ( 0.1029412 0.1029412 0.3488837), wk = 0.0022779 k( 356) = ( 0.0955882 0.0955882 0.3488837), wk = 0.0022779 k( 357) = ( 0.0882353 0.0882353 0.3488837), wk = 0.0022779 k( 358) = ( 0.0808824 0.0808823 0.3488837), wk = 0.0022779 k( 359) = ( 0.0735294 0.0735294 0.3488837), wk = 0.0022779 k( 360) = ( 0.0661765 0.0661765 0.3488837), wk = 0.0022779 k( 361) = ( 0.0588235 0.0588235 0.3488837), wk = 0.0022779 k( 362) = ( 0.0514706 0.0514706 0.3488837), wk = 0.0022779 k( 363) = ( 0.0441177 0.0441176 0.3488837), wk = 0.0022779 k( 364) = ( 0.0367647 0.0367647 0.3488837), wk = 0.0022779 k( 365) = ( 0.0294118 0.0294118 0.3488837), wk = 0.0022779 k( 366) = ( 0.0220588 0.0220588 0.3488837), wk = 0.0022779 k( 367) = ( 0.0147059 0.0147059 0.3488837), wk = 0.0022779 k( 368) = ( 0.0073529 0.0073529 0.3488837), wk = 0.0022779 k( 369) = ( 0.0000000 0.0000000 0.3488837), wk = 0.0022779 k( 370) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0022779 k( 371) = ( 0.0000000 0.5000000 0.0102613), wk = 0.0022779 k( 372) = ( 0.0000000 0.5000000 0.0205226), wk = 0.0022779 k( 373) = ( 0.0000000 0.5000000 0.0307839), wk = 0.0022779 k( 374) = ( 0.0000000 0.5000000 0.0410451), wk = 0.0022779 k( 375) = ( 0.0000000 0.5000000 0.0513064), wk = 0.0022779 k( 376) = ( 0.0000000 0.5000000 0.0615677), wk = 0.0022779 k( 377) = ( 0.0000000 0.5000000 0.0718290), wk = 0.0022779 k( 378) = ( 0.0000000 0.5000000 0.0820903), wk = 0.0022779 k( 379) = ( 0.0000000 0.5000000 0.0923516), wk = 0.0022779 k( 380) = ( 0.0000000 0.5000000 0.1026129), wk = 0.0022779 k( 381) = ( 0.0000000 0.5000000 0.1128742), wk = 0.0022779 k( 382) = ( 0.0000000 0.5000000 0.1231354), wk = 0.0022779 k( 383) = ( 0.0000000 0.5000000 0.1333967), wk = 0.0022779 k( 384) = ( 0.0000000 0.5000000 0.1436580), wk = 0.0022779 k( 385) = ( 0.0000000 0.5000000 0.1539193), wk = 0.0022779 k( 386) = ( 0.0000000 0.5000000 0.1641806), wk = 0.0022779 k( 387) = ( 0.0000000 0.5000000 0.1744419), wk = 0.0022779 k( 388) = ( 0.0000000 0.5000000 0.1847032), wk = 0.0022779 k( 389) = ( 0.0000000 0.5000000 0.1949644), wk = 0.0022779 k( 390) = ( 0.0000000 0.5000000 0.2052257), wk = 0.0022779 k( 391) = ( 0.0000000 0.5000000 0.2154870), wk = 0.0022779 k( 392) = ( 0.0000000 0.5000000 0.2257483), wk = 0.0022779 k( 393) = ( 0.0000000 0.5000000 0.2360096), wk = 0.0022779 k( 394) = ( 0.0000000 0.5000000 0.2462709), wk = 0.0022779 k( 395) = ( 0.0000000 0.5000000 0.2565322), wk = 0.0022779 k( 396) = ( 0.0000000 0.5000000 0.2667934), wk = 0.0022779 k( 397) = ( 0.0000000 0.5000000 0.2770547), wk = 0.0022779 k( 398) = ( 0.0000000 0.5000000 0.2873160), wk = 0.0022779 k( 399) = ( 0.0000000 0.5000000 0.2975773), wk = 0.0022779 k( 400) = ( 0.0000000 0.5000000 0.3078386), wk = 0.0022779 k( 401) = ( 0.0000000 0.5000000 0.3180999), wk = 0.0022779 k( 402) = ( 0.0000000 0.5000000 0.3283612), wk = 0.0022779 k( 403) = ( 0.0000000 0.5000000 0.3386225), wk = 0.0022779 k( 404) = ( 0.0000000 0.5000000 0.3488837), wk = 0.0022779 k( 405) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0022779 k( 406) = ( 0.5000000 0.5000000 0.0102613), wk = 0.0022779 k( 407) = ( 0.5000000 0.5000000 0.0205226), wk = 0.0022779 k( 408) = ( 0.5000000 0.5000000 0.0307839), wk = 0.0022779 k( 409) = ( 0.5000000 0.5000000 0.0410451), wk = 0.0022779 k( 410) = ( 0.5000000 0.5000000 0.0513064), wk = 0.0022779 k( 411) = ( 0.5000000 0.5000000 0.0615677), wk = 0.0022779 k( 412) = ( 0.5000000 0.5000000 0.0718290), wk = 0.0022779 k( 413) = ( 0.5000000 0.5000000 0.0820903), wk = 0.0022779 k( 414) = ( 0.5000000 0.5000000 0.0923516), wk = 0.0022779 k( 415) = ( 0.5000000 0.5000000 0.1026129), wk = 0.0022779 k( 416) = ( 0.5000000 0.5000000 0.1128742), wk = 0.0022779 k( 417) = ( 0.5000000 0.5000000 0.1231354), wk = 0.0022779 k( 418) = ( 0.5000000 0.5000000 0.1333967), wk = 0.0022779 k( 419) = ( 0.5000000 0.5000000 0.1436580), wk = 0.0022779 k( 420) = ( 0.5000000 0.5000000 0.1539193), wk = 0.0022779 k( 421) = ( 0.5000000 0.5000000 0.1641806), wk = 0.0022779 k( 422) = ( 0.5000000 0.5000000 0.1744419), wk = 0.0022779 k( 423) = ( 0.5000000 0.5000000 0.1847032), wk = 0.0022779 k( 424) = ( 0.5000000 0.5000000 0.1949644), wk = 0.0022779 k( 425) = ( 0.5000000 0.5000000 0.2052257), wk = 0.0022779 k( 426) = ( 0.5000000 0.5000000 0.2154870), wk = 0.0022779 k( 427) = ( 0.5000000 0.5000000 0.2257483), wk = 0.0022779 k( 428) = ( 0.5000000 0.5000000 0.2360096), wk = 0.0022779 k( 429) = ( 0.5000000 0.5000000 0.2462709), wk = 0.0022779 k( 430) = ( 0.5000000 0.5000000 0.2565322), wk = 0.0022779 k( 431) = ( 0.5000000 0.5000000 0.2667934), wk = 0.0022779 k( 432) = ( 0.5000000 0.5000000 0.2770547), wk = 0.0022779 k( 433) = ( 0.5000000 0.5000000 0.2873160), wk = 0.0022779 k( 434) = ( 0.5000000 0.5000000 0.2975773), wk = 0.0022779 k( 435) = ( 0.5000000 0.5000000 0.3078386), wk = 0.0022779 k( 436) = ( 0.5000000 0.5000000 0.3180999), wk = 0.0022779 k( 437) = ( 0.5000000 0.5000000 0.3283612), wk = 0.0022779 k( 438) = ( 0.5000000 0.5000000 0.3386225), wk = 0.0022779 k( 439) = ( 0.5000000 0.5000000 0.3488837), wk = 0.0022779 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022779 k( 2) = ( 0.0000000 0.0104167 -0.0000000), wk = 0.0022779 k( 3) = ( 0.0000000 0.0208333 0.0000000), wk = 0.0022779 k( 4) = ( 0.0000000 0.0312500 0.0000000), wk = 0.0022779 k( 5) = ( 0.0000000 0.0416667 0.0000000), wk = 0.0022779 k( 6) = ( 0.0000000 0.0520833 0.0000000), wk = 0.0022779 k( 7) = ( 0.0000000 0.0625000 0.0000000), wk = 0.0022779 k( 8) = ( 0.0000000 0.0729167 0.0000000), wk = 0.0022779 k( 9) = ( 0.0000000 0.0833333 0.0000000), wk = 0.0022779 k( 10) = ( 0.0000000 0.0937500 0.0000000), wk = 0.0022779 k( 11) = ( 0.0000000 0.1041667 0.0000000), wk = 0.0022779 k( 12) = ( 0.0000000 0.1145833 0.0000000), wk = 0.0022779 k( 13) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0022779 k( 14) = ( 0.0000000 0.1354167 0.0000000), wk = 0.0022779 k( 15) = ( 0.0000000 0.1458333 0.0000000), wk = 0.0022779 k( 16) = ( 0.0000000 0.1562500 0.0000000), wk = 0.0022779 k( 17) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0022779 k( 18) = ( 0.0000000 0.1770833 0.0000000), wk = 0.0022779 k( 19) = ( 0.0000000 0.1875000 0.0000000), wk = 0.0022779 k( 20) = ( 0.0000000 0.1979167 0.0000000), wk = 0.0022779 k( 21) = ( 0.0000000 0.2083333 0.0000000), wk = 0.0022779 k( 22) = ( 0.0000000 0.2187500 0.0000000), wk = 0.0022779 k( 23) = ( 0.0000000 0.2291667 0.0000000), wk = 0.0022779 k( 24) = ( 0.0000000 0.2395833 0.0000000), wk = 0.0022779 k( 25) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0022779 k( 26) = ( 0.0000000 0.2604167 0.0000000), wk = 0.0022779 k( 27) = ( 0.0000000 0.2708333 0.0000000), wk = 0.0022779 k( 28) = ( 0.0000000 0.2812500 0.0000000), wk = 0.0022779 k( 29) = ( 0.0000000 0.2916667 0.0000000), wk = 0.0022779 k( 30) = ( 0.0000000 0.3020833 0.0000000), wk = 0.0022779 k( 31) = ( 0.0000000 0.3125000 0.0000000), wk = 0.0022779 k( 32) = ( 0.0000000 0.3229167 0.0000000), wk = 0.0022779 k( 33) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0022779 k( 34) = ( 0.0000000 0.3437500 0.0000000), wk = 0.0022779 k( 35) = ( 0.0000000 0.3541667 0.0000000), wk = 0.0022779 k( 36) = ( 0.0000000 0.3645833 0.0000000), wk = 0.0022779 k( 37) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0022779 k( 38) = ( 0.0000000 0.3854167 0.0000000), wk = 0.0022779 k( 39) = ( 0.0000000 0.3958333 0.0000000), wk = 0.0022779 k( 40) = ( 0.0000000 0.4062500 0.0000000), wk = 0.0022779 k( 41) = ( 0.0000000 0.4166667 0.0000000), wk = 0.0022779 k( 42) = ( 0.0000000 0.4270833 0.0000000), wk = 0.0022779 k( 43) = ( 0.0000000 0.4375000 0.0000000), wk = 0.0022779 k( 44) = ( 0.0000000 0.4479167 0.0000000), wk = 0.0022779 k( 45) = ( 0.0000000 0.4583333 0.0000000), wk = 0.0022779 k( 46) = ( 0.0000000 0.4687500 0.0000000), wk = 0.0022779 k( 47) = ( 0.0000000 0.4791667 0.0000000), wk = 0.0022779 k( 48) = ( 0.0000000 0.4895833 0.0000000), wk = 0.0022779 k( 49) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022779 k( 50) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022779 k( 51) = ( 0.0104167 0.5000000 0.0000000), wk = 0.0022779 k( 52) = ( 0.0208333 0.5000000 0.0000000), wk = 0.0022779 k( 53) = ( 0.0312500 0.5000000 0.0000000), wk = 0.0022779 k( 54) = ( 0.0416667 0.5000000 0.0000000), wk = 0.0022779 k( 55) = ( 0.0520833 0.5000000 0.0000000), wk = 0.0022779 k( 56) = ( 0.0625000 0.5000000 0.0000000), wk = 0.0022779 k( 57) = ( 0.0729167 0.5000000 0.0000000), wk = 0.0022779 k( 58) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0022779 k( 59) = ( 0.0937500 0.5000000 0.0000000), wk = 0.0022779 k( 60) = ( 0.1041667 0.5000000 0.0000000), wk = 0.0022779 k( 61) = ( 0.1145833 0.5000000 0.0000000), wk = 0.0022779 k( 62) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0022779 k( 63) = ( 0.1354167 0.5000000 0.0000000), wk = 0.0022779 k( 64) = ( 0.1458333 0.5000000 0.0000000), wk = 0.0022779 k( 65) = ( 0.1562500 0.5000000 0.0000000), wk = 0.0022779 k( 66) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0022779 k( 67) = ( 0.1770833 0.5000000 0.0000000), wk = 0.0022779 k( 68) = ( 0.1875000 0.5000000 0.0000000), wk = 0.0022779 k( 69) = ( 0.1979167 0.5000000 0.0000000), wk = 0.0022779 k( 70) = ( 0.2083333 0.5000000 0.0000000), wk = 0.0022779 k( 71) = ( 0.2187500 0.5000000 0.0000000), wk = 0.0022779 k( 72) = ( 0.2291667 0.5000000 0.0000000), wk = 0.0022779 k( 73) = ( 0.2395833 0.5000000 0.0000000), wk = 0.0022779 k( 74) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0022779 k( 75) = ( 0.2604167 0.5000000 0.0000000), wk = 0.0022779 k( 76) = ( 0.2708333 0.5000000 0.0000000), wk = 0.0022779 k( 77) = ( 0.2812500 0.5000000 0.0000000), wk = 0.0022779 k( 78) = ( 0.2916667 0.5000000 0.0000000), wk = 0.0022779 k( 79) = ( 0.3020833 0.5000000 0.0000000), wk = 0.0022779 k( 80) = ( 0.3125000 0.5000000 0.0000000), wk = 0.0022779 k( 81) = ( 0.3229167 0.5000000 -0.0000000), wk = 0.0022779 k( 82) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0022779 k( 83) = ( 0.3437500 0.5000000 0.0000000), wk = 0.0022779 k( 84) = ( 0.3541667 0.5000000 0.0000000), wk = 0.0022779 k( 85) = ( 0.3645833 0.5000000 0.0000000), wk = 0.0022779 k( 86) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0022779 k( 87) = ( 0.3854167 0.5000000 0.0000000), wk = 0.0022779 k( 88) = ( 0.3958333 0.5000000 0.0000000), wk = 0.0022779 k( 89) = ( 0.4062500 0.5000000 0.0000000), wk = 0.0022779 k( 90) = ( 0.4166667 0.5000000 0.0000000), wk = 0.0022779 k( 91) = ( 0.4270833 0.5000000 0.0000000), wk = 0.0022779 k( 92) = ( 0.4375000 0.5000000 0.0000000), wk = 0.0022779 k( 93) = ( 0.4479167 0.5000000 0.0000000), wk = 0.0022779 k( 94) = ( 0.4583333 0.5000000 0.0000000), wk = 0.0022779 k( 95) = ( 0.4687500 0.5000000 0.0000000), wk = 0.0022779 k( 96) = ( 0.4791667 0.5000000 0.0000000), wk = 0.0022779 k( 97) = ( 0.4895833 0.5000000 0.0000000), wk = 0.0022779 k( 98) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0022779 k( 99) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0022779 k( 100) = ( 0.4926471 0.4926471 0.0000000), wk = 0.0022779 k( 101) = ( 0.4852941 0.4852941 0.0000000), wk = 0.0022779 k( 102) = ( 0.4779412 0.4779412 0.0000000), wk = 0.0022779 k( 103) = ( 0.4705882 0.4705882 0.0000000), wk = 0.0022779 k( 104) = ( 0.4632353 0.4632353 0.0000000), wk = 0.0022779 k( 105) = ( 0.4558823 0.4558823 0.0000000), wk = 0.0022779 k( 106) = ( 0.4485294 0.4485294 0.0000000), wk = 0.0022779 k( 107) = ( 0.4411765 0.4411765 0.0000000), wk = 0.0022779 k( 108) = ( 0.4338235 0.4338235 0.0000000), wk = 0.0022779 k( 109) = ( 0.4264706 0.4264706 0.0000000), wk = 0.0022779 k( 110) = ( 0.4191177 0.4191177 0.0000000), wk = 0.0022779 k( 111) = ( 0.4117647 0.4117647 0.0000000), wk = 0.0022779 k( 112) = ( 0.4044118 0.4044118 0.0000000), wk = 0.0022779 k( 113) = ( 0.3970588 0.3970588 0.0000000), wk = 0.0022779 k( 114) = ( 0.3897059 0.3897059 0.0000000), wk = 0.0022779 k( 115) = ( 0.3823529 0.3823529 0.0000000), wk = 0.0022779 k( 116) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0022779 k( 117) = ( 0.3676471 0.3676471 0.0000000), wk = 0.0022779 k( 118) = ( 0.3602941 0.3602941 0.0000000), wk = 0.0022779 k( 119) = ( 0.3529412 0.3529412 0.0000000), wk = 0.0022779 k( 120) = ( 0.3455882 0.3455882 0.0000000), wk = 0.0022779 k( 121) = ( 0.3382353 0.3382353 0.0000000), wk = 0.0022779 k( 122) = ( 0.3308823 0.3308823 0.0000000), wk = 0.0022779 k( 123) = ( 0.3235294 0.3235294 0.0000000), wk = 0.0022779 k( 124) = ( 0.3161765 0.3161765 0.0000000), wk = 0.0022779 k( 125) = ( 0.3088235 0.3088235 0.0000000), wk = 0.0022779 k( 126) = ( 0.3014706 0.3014706 0.0000000), wk = 0.0022779 k( 127) = ( 0.2941177 0.2941177 0.0000000), wk = 0.0022779 k( 128) = ( 0.2867647 0.2867647 0.0000000), wk = 0.0022779 k( 129) = ( 0.2794118 0.2794118 0.0000000), wk = 0.0022779 k( 130) = ( 0.2720588 0.2720588 0.0000000), wk = 0.0022779 k( 131) = ( 0.2647059 0.2647059 0.0000000), wk = 0.0022779 k( 132) = ( 0.2573529 0.2573529 0.0000000), wk = 0.0022779 k( 133) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0022779 k( 134) = ( 0.2426471 0.2426471 0.0000000), wk = 0.0022779 k( 135) = ( 0.2352941 0.2352941 0.0000000), wk = 0.0022779 k( 136) = ( 0.2279412 0.2279412 0.0000000), wk = 0.0022779 k( 137) = ( 0.2205882 0.2205882 0.0000000), wk = 0.0022779 k( 138) = ( 0.2132353 0.2132353 0.0000000), wk = 0.0022779 k( 139) = ( 0.2058823 0.2058823 0.0000000), wk = 0.0022779 k( 140) = ( 0.1985294 0.1985294 0.0000000), wk = 0.0022779 k( 141) = ( 0.1911765 0.1911765 0.0000000), wk = 0.0022779 k( 142) = ( 0.1838235 0.1838235 0.0000000), wk = 0.0022779 k( 143) = ( 0.1764706 0.1764706 0.0000000), wk = 0.0022779 k( 144) = ( 0.1691177 0.1691177 0.0000000), wk = 0.0022779 k( 145) = ( 0.1617647 0.1617647 0.0000000), wk = 0.0022779 k( 146) = ( 0.1544118 0.1544118 0.0000000), wk = 0.0022779 k( 147) = ( 0.1470588 0.1470588 0.0000000), wk = 0.0022779 k( 148) = ( 0.1397059 0.1397059 0.0000000), wk = 0.0022779 k( 149) = ( 0.1323529 0.1323529 0.0000000), wk = 0.0022779 k( 150) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0022779 k( 151) = ( 0.1176471 0.1176471 0.0000000), wk = 0.0022779 k( 152) = ( 0.1102941 0.1102941 0.0000000), wk = 0.0022779 k( 153) = ( 0.1029412 0.1029412 0.0000000), wk = 0.0022779 k( 154) = ( 0.0955882 0.0955882 0.0000000), wk = 0.0022779 k( 155) = ( 0.0882353 0.0882353 0.0000000), wk = 0.0022779 k( 156) = ( 0.0808824 0.0808824 0.0000000), wk = 0.0022779 k( 157) = ( 0.0735294 0.0735294 0.0000000), wk = 0.0022779 k( 158) = ( 0.0661765 0.0661765 0.0000000), wk = 0.0022779 k( 159) = ( 0.0588235 0.0588235 0.0000000), wk = 0.0022779 k( 160) = ( 0.0514706 0.0514706 0.0000000), wk = 0.0022779 k( 161) = ( 0.0441177 0.0441177 0.0000000), wk = 0.0022779 k( 162) = ( 0.0367647 0.0367647 0.0000000), wk = 0.0022779 k( 163) = ( 0.0294118 0.0294118 0.0000000), wk = 0.0022779 k( 164) = ( 0.0220588 0.0220588 0.0000000), wk = 0.0022779 k( 165) = ( 0.0147059 0.0147059 0.0000000), wk = 0.0022779 k( 166) = ( 0.0073529 0.0073529 0.0000000), wk = 0.0022779 k( 167) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022779 k( 168) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022779 k( 169) = ( 0.0000000 0.0000000 0.0147059), wk = 0.0022779 k( 170) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0022779 k( 171) = ( 0.0000000 0.0000000 0.0441177), wk = 0.0022779 k( 172) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0022779 k( 173) = ( 0.0000000 0.0000000 0.0735294), wk = 0.0022779 k( 174) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0022779 k( 175) = ( 0.0000000 0.0000000 0.1029412), wk = 0.0022779 k( 176) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0022779 k( 177) = ( 0.0000000 0.0000000 0.1323529), wk = 0.0022779 k( 178) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0022779 k( 179) = ( 0.0000000 0.0000000 0.1617647), wk = 0.0022779 k( 180) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0022779 k( 181) = ( 0.0000000 0.0000000 0.1911765), wk = 0.0022779 k( 182) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0022779 k( 183) = ( 0.0000000 0.0000000 0.2205882), wk = 0.0022779 k( 184) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0022779 k( 185) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0022779 k( 186) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0022779 k( 187) = ( 0.0000000 0.0000000 0.2794118), wk = 0.0022779 k( 188) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0022779 k( 189) = ( 0.0000000 0.0000000 0.3088235), wk = 0.0022779 k( 190) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0022779 k( 191) = ( 0.0000000 0.0000000 0.3382353), wk = 0.0022779 k( 192) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0022779 k( 193) = ( 0.0000000 0.0000000 0.3676471), wk = 0.0022779 k( 194) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0022779 k( 195) = ( 0.0000000 0.0000000 0.3970588), wk = 0.0022779 k( 196) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0022779 k( 197) = ( 0.0000000 0.0000000 0.4264706), wk = 0.0022779 k( 198) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0022779 k( 199) = ( 0.0000000 0.0000000 0.4558823), wk = 0.0022779 k( 200) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0022779 k( 201) = ( 0.0000000 0.0000000 0.4852941), wk = 0.0022779 k( 202) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022779 k( 203) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022779 k( 204) = ( 0.0000000 0.0104167 0.5000000), wk = 0.0022779 k( 205) = ( 0.0000000 0.0208333 0.5000000), wk = 0.0022779 k( 206) = ( 0.0000000 0.0312500 0.5000000), wk = 0.0022779 k( 207) = ( 0.0000000 0.0416667 0.5000000), wk = 0.0022779 k( 208) = ( 0.0000000 0.0520833 0.5000000), wk = 0.0022779 k( 209) = ( 0.0000000 0.0625000 0.5000000), wk = 0.0022779 k( 210) = ( 0.0000000 0.0729167 0.5000000), wk = 0.0022779 k( 211) = ( 0.0000000 0.0833333 0.5000000), wk = 0.0022779 k( 212) = ( 0.0000000 0.0937500 0.5000000), wk = 0.0022779 k( 213) = ( 0.0000000 0.1041667 0.5000000), wk = 0.0022779 k( 214) = ( 0.0000000 0.1145833 0.5000000), wk = 0.0022779 k( 215) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0022779 k( 216) = ( 0.0000000 0.1354167 0.5000000), wk = 0.0022779 k( 217) = ( 0.0000000 0.1458333 0.5000000), wk = 0.0022779 k( 218) = ( 0.0000000 0.1562500 0.5000000), wk = 0.0022779 k( 219) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0022779 k( 220) = ( 0.0000000 0.1770833 0.5000000), wk = 0.0022779 k( 221) = ( 0.0000000 0.1875000 0.5000000), wk = 0.0022779 k( 222) = ( 0.0000000 0.1979167 0.5000000), wk = 0.0022779 k( 223) = ( 0.0000000 0.2083333 0.5000000), wk = 0.0022779 k( 224) = ( 0.0000000 0.2187500 0.5000000), wk = 0.0022779 k( 225) = ( 0.0000000 0.2291667 0.5000000), wk = 0.0022779 k( 226) = ( 0.0000000 0.2395833 0.5000000), wk = 0.0022779 k( 227) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0022779 k( 228) = ( 0.0000000 0.2604167 0.5000000), wk = 0.0022779 k( 229) = ( 0.0000000 0.2708333 0.5000000), wk = 0.0022779 k( 230) = ( 0.0000000 0.2812500 0.5000000), wk = 0.0022779 k( 231) = ( 0.0000000 0.2916667 0.5000000), wk = 0.0022779 k( 232) = ( 0.0000000 0.3020833 0.5000000), wk = 0.0022779 k( 233) = ( 0.0000000 0.3125000 0.5000000), wk = 0.0022779 k( 234) = ( 0.0000000 0.3229167 0.5000000), wk = 0.0022779 k( 235) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0022779 k( 236) = ( 0.0000000 0.3437500 0.5000000), wk = 0.0022779 k( 237) = ( 0.0000000 0.3541667 0.5000000), wk = 0.0022779 k( 238) = ( 0.0000000 0.3645833 0.5000000), wk = 0.0022779 k( 239) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0022779 k( 240) = ( 0.0000000 0.3854167 0.5000000), wk = 0.0022779 k( 241) = ( 0.0000000 0.3958333 0.5000000), wk = 0.0022779 k( 242) = ( 0.0000000 0.4062500 0.5000000), wk = 0.0022779 k( 243) = ( 0.0000000 0.4166667 0.5000000), wk = 0.0022779 k( 244) = ( 0.0000000 0.4270833 0.5000000), wk = 0.0022779 k( 245) = ( 0.0000000 0.4375000 0.5000000), wk = 0.0022779 k( 246) = ( 0.0000000 0.4479167 0.5000000), wk = 0.0022779 k( 247) = ( 0.0000000 0.4583333 0.5000000), wk = 0.0022779 k( 248) = ( 0.0000000 0.4687500 0.5000000), wk = 0.0022779 k( 249) = ( 0.0000000 0.4791667 0.5000000), wk = 0.0022779 k( 250) = ( 0.0000000 0.4895833 0.5000000), wk = 0.0022779 k( 251) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022779 k( 252) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022779 k( 253) = ( 0.0104167 0.5000000 0.5000000), wk = 0.0022779 k( 254) = ( 0.0208333 0.5000000 0.5000000), wk = 0.0022779 k( 255) = ( 0.0312500 0.5000000 0.5000000), wk = 0.0022779 k( 256) = ( 0.0416667 0.5000000 0.5000000), wk = 0.0022779 k( 257) = ( 0.0520833 0.5000000 0.5000000), wk = 0.0022779 k( 258) = ( 0.0625000 0.5000000 0.5000000), wk = 0.0022779 k( 259) = ( 0.0729167 0.5000000 0.5000000), wk = 0.0022779 k( 260) = ( 0.0833333 0.5000000 0.5000000), wk = 0.0022779 k( 261) = ( 0.0937500 0.5000000 0.5000000), wk = 0.0022779 k( 262) = ( 0.1041667 0.5000000 0.5000000), wk = 0.0022779 k( 263) = ( 0.1145833 0.5000000 0.5000000), wk = 0.0022779 k( 264) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0022779 k( 265) = ( 0.1354167 0.5000000 0.5000000), wk = 0.0022779 k( 266) = ( 0.1458333 0.5000000 0.5000000), wk = 0.0022779 k( 267) = ( 0.1562500 0.5000000 0.5000000), wk = 0.0022779 k( 268) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0022779 k( 269) = ( 0.1770833 0.5000000 0.5000000), wk = 0.0022779 k( 270) = ( 0.1875000 0.5000000 0.5000000), wk = 0.0022779 k( 271) = ( 0.1979167 0.5000000 0.5000000), wk = 0.0022779 k( 272) = ( 0.2083333 0.5000000 0.5000000), wk = 0.0022779 k( 273) = ( 0.2187500 0.5000000 0.5000000), wk = 0.0022779 k( 274) = ( 0.2291667 0.5000000 0.5000000), wk = 0.0022779 k( 275) = ( 0.2395833 0.5000000 0.5000000), wk = 0.0022779 k( 276) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0022779 k( 277) = ( 0.2604167 0.5000000 0.5000000), wk = 0.0022779 k( 278) = ( 0.2708333 0.5000000 0.5000000), wk = 0.0022779 k( 279) = ( 0.2812500 0.5000000 0.5000000), wk = 0.0022779 k( 280) = ( 0.2916667 0.5000000 0.5000000), wk = 0.0022779 k( 281) = ( 0.3020833 0.5000000 0.5000000), wk = 0.0022779 k( 282) = ( 0.3125000 0.5000000 0.5000000), wk = 0.0022779 k( 283) = ( 0.3229167 0.5000000 0.5000000), wk = 0.0022779 k( 284) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0022779 k( 285) = ( 0.3437500 0.5000000 0.5000000), wk = 0.0022779 k( 286) = ( 0.3541667 0.5000000 0.5000000), wk = 0.0022779 k( 287) = ( 0.3645833 0.5000000 0.5000000), wk = 0.0022779 k( 288) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0022779 k( 289) = ( 0.3854167 0.5000000 0.5000000), wk = 0.0022779 k( 290) = ( 0.3958333 0.5000000 0.5000000), wk = 0.0022779 k( 291) = ( 0.4062500 0.5000000 0.5000000), wk = 0.0022779 k( 292) = ( 0.4166667 0.5000000 0.5000000), wk = 0.0022779 k( 293) = ( 0.4270833 0.5000000 0.5000000), wk = 0.0022779 k( 294) = ( 0.4375000 0.5000000 0.5000000), wk = 0.0022779 k( 295) = ( 0.4479167 0.5000000 0.5000000), wk = 0.0022779 k( 296) = ( 0.4583333 0.5000000 0.5000000), wk = 0.0022779 k( 297) = ( 0.4687500 0.5000000 0.5000000), wk = 0.0022779 k( 298) = ( 0.4791667 0.5000000 0.5000000), wk = 0.0022779 k( 299) = ( 0.4895833 0.5000000 0.5000000), wk = 0.0022779 k( 300) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022779 k( 301) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022779 k( 302) = ( 0.4926471 0.4926471 0.5000000), wk = 0.0022779 k( 303) = ( 0.4852941 0.4852941 0.5000000), wk = 0.0022779 k( 304) = ( 0.4779412 0.4779412 0.5000000), wk = 0.0022779 k( 305) = ( 0.4705882 0.4705882 0.5000000), wk = 0.0022779 k( 306) = ( 0.4632353 0.4632353 0.5000000), wk = 0.0022779 k( 307) = ( 0.4558823 0.4558823 0.5000000), wk = 0.0022779 k( 308) = ( 0.4485294 0.4485294 0.5000000), wk = 0.0022779 k( 309) = ( 0.4411765 0.4411765 0.5000000), wk = 0.0022779 k( 310) = ( 0.4338235 0.4338235 0.5000000), wk = 0.0022779 k( 311) = ( 0.4264706 0.4264706 0.5000000), wk = 0.0022779 k( 312) = ( 0.4191177 0.4191177 0.5000000), wk = 0.0022779 k( 313) = ( 0.4117647 0.4117647 0.5000000), wk = 0.0022779 k( 314) = ( 0.4044118 0.4044118 0.5000000), wk = 0.0022779 k( 315) = ( 0.3970588 0.3970588 0.5000000), wk = 0.0022779 k( 316) = ( 0.3897059 0.3897059 0.5000000), wk = 0.0022779 k( 317) = ( 0.3823529 0.3823529 0.5000000), wk = 0.0022779 k( 318) = ( 0.3750000 0.3750000 0.5000000), wk = 0.0022779 k( 319) = ( 0.3676471 0.3676471 0.5000000), wk = 0.0022779 k( 320) = ( 0.3602941 0.3602941 0.5000000), wk = 0.0022779 k( 321) = ( 0.3529412 0.3529412 0.5000000), wk = 0.0022779 k( 322) = ( 0.3455882 0.3455882 0.5000000), wk = 0.0022779 k( 323) = ( 0.3382353 0.3382353 0.5000000), wk = 0.0022779 k( 324) = ( 0.3308823 0.3308823 0.5000000), wk = 0.0022779 k( 325) = ( 0.3235294 0.3235294 0.5000000), wk = 0.0022779 k( 326) = ( 0.3161765 0.3161765 0.5000000), wk = 0.0022779 k( 327) = ( 0.3088235 0.3088235 0.5000000), wk = 0.0022779 k( 328) = ( 0.3014706 0.3014706 0.5000000), wk = 0.0022779 k( 329) = ( 0.2941177 0.2941177 0.5000000), wk = 0.0022779 k( 330) = ( 0.2867647 0.2867647 0.5000000), wk = 0.0022779 k( 331) = ( 0.2794118 0.2794118 0.5000000), wk = 0.0022779 k( 332) = ( 0.2720588 0.2720588 0.5000000), wk = 0.0022779 k( 333) = ( 0.2647059 0.2647059 0.5000000), wk = 0.0022779 k( 334) = ( 0.2573529 0.2573529 0.5000000), wk = 0.0022779 k( 335) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0022779 k( 336) = ( 0.2426471 0.2426471 0.5000000), wk = 0.0022779 k( 337) = ( 0.2352941 0.2352941 0.5000000), wk = 0.0022779 k( 338) = ( 0.2279412 0.2279412 0.5000000), wk = 0.0022779 k( 339) = ( 0.2205882 0.2205882 0.5000000), wk = 0.0022779 k( 340) = ( 0.2132353 0.2132353 0.5000000), wk = 0.0022779 k( 341) = ( 0.2058823 0.2058823 0.5000000), wk = 0.0022779 k( 342) = ( 0.1985294 0.1985294 0.5000000), wk = 0.0022779 k( 343) = ( 0.1911765 0.1911765 0.5000000), wk = 0.0022779 k( 344) = ( 0.1838235 0.1838235 0.5000000), wk = 0.0022779 k( 345) = ( 0.1764706 0.1764706 0.5000000), wk = 0.0022779 k( 346) = ( 0.1691177 0.1691177 0.5000000), wk = 0.0022779 k( 347) = ( 0.1617647 0.1617647 0.5000000), wk = 0.0022779 k( 348) = ( 0.1544118 0.1544118 0.5000000), wk = 0.0022779 k( 349) = ( 0.1470588 0.1470588 0.5000000), wk = 0.0022779 k( 350) = ( 0.1397059 0.1397059 0.5000000), wk = 0.0022779 k( 351) = ( 0.1323529 0.1323529 0.5000000), wk = 0.0022779 k( 352) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0022779 k( 353) = ( 0.1176471 0.1176471 0.5000000), wk = 0.0022779 k( 354) = ( 0.1102941 0.1102941 0.5000000), wk = 0.0022779 k( 355) = ( 0.1029412 0.1029412 0.5000000), wk = 0.0022779 k( 356) = ( 0.0955882 0.0955882 0.5000000), wk = 0.0022779 k( 357) = ( 0.0882353 0.0882353 0.5000000), wk = 0.0022779 k( 358) = ( 0.0808824 0.0808824 0.5000000), wk = 0.0022779 k( 359) = ( 0.0735294 0.0735294 0.5000000), wk = 0.0022779 k( 360) = ( 0.0661765 0.0661765 0.5000000), wk = 0.0022779 k( 361) = ( 0.0588235 0.0588235 0.5000000), wk = 0.0022779 k( 362) = ( 0.0514706 0.0514706 0.5000000), wk = 0.0022779 k( 363) = ( 0.0441177 0.0441177 0.5000000), wk = 0.0022779 k( 364) = ( 0.0367647 0.0367647 0.5000000), wk = 0.0022779 k( 365) = ( 0.0294118 0.0294118 0.5000000), wk = 0.0022779 k( 366) = ( 0.0220588 0.0220588 0.5000000), wk = 0.0022779 k( 367) = ( 0.0147059 0.0147059 0.5000000), wk = 0.0022779 k( 368) = ( 0.0073529 0.0073529 0.5000000), wk = 0.0022779 k( 369) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022779 k( 370) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022779 k( 371) = ( 0.0000000 0.5000000 0.0147059), wk = 0.0022779 k( 372) = ( 0.0000000 0.5000000 0.0294118), wk = 0.0022779 k( 373) = ( 0.0000000 0.5000000 0.0441177), wk = 0.0022779 k( 374) = ( 0.0000000 0.5000000 0.0588235), wk = 0.0022779 k( 375) = ( 0.0000000 0.5000000 0.0735294), wk = 0.0022779 k( 376) = ( 0.0000000 0.5000000 0.0882353), wk = 0.0022779 k( 377) = ( 0.0000000 0.5000000 0.1029412), wk = 0.0022779 k( 378) = ( 0.0000000 0.5000000 0.1176471), wk = 0.0022779 k( 379) = ( 0.0000000 0.5000000 0.1323529), wk = 0.0022779 k( 380) = ( 0.0000000 0.5000000 0.1470588), wk = 0.0022779 k( 381) = ( 0.0000000 0.5000000 0.1617647), wk = 0.0022779 k( 382) = ( 0.0000000 0.5000000 0.1764706), wk = 0.0022779 k( 383) = ( 0.0000000 0.5000000 0.1911765), wk = 0.0022779 k( 384) = ( 0.0000000 0.5000000 0.2058823), wk = 0.0022779 k( 385) = ( 0.0000000 0.5000000 0.2205882), wk = 0.0022779 k( 386) = ( 0.0000000 0.5000000 0.2352941), wk = 0.0022779 k( 387) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0022779 k( 388) = ( 0.0000000 0.5000000 0.2647059), wk = 0.0022779 k( 389) = ( 0.0000000 0.5000000 0.2794118), wk = 0.0022779 k( 390) = ( 0.0000000 0.5000000 0.2941177), wk = 0.0022779 k( 391) = ( 0.0000000 0.5000000 0.3088235), wk = 0.0022779 k( 392) = ( 0.0000000 0.5000000 0.3235294), wk = 0.0022779 k( 393) = ( 0.0000000 0.5000000 0.3382353), wk = 0.0022779 k( 394) = ( 0.0000000 0.5000000 0.3529412), wk = 0.0022779 k( 395) = ( 0.0000000 0.5000000 0.3676471), wk = 0.0022779 k( 396) = ( 0.0000000 0.5000000 0.3823529), wk = 0.0022779 k( 397) = ( 0.0000000 0.5000000 0.3970588), wk = 0.0022779 k( 398) = ( 0.0000000 0.5000000 0.4117647), wk = 0.0022779 k( 399) = ( 0.0000000 0.5000000 0.4264706), wk = 0.0022779 k( 400) = ( 0.0000000 0.5000000 0.4411765), wk = 0.0022779 k( 401) = ( 0.0000000 0.5000000 0.4558823), wk = 0.0022779 k( 402) = ( 0.0000000 0.5000000 0.4705882), wk = 0.0022779 k( 403) = ( 0.0000000 0.5000000 0.4852941), wk = 0.0022779 k( 404) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022779 k( 405) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0022779 k( 406) = ( 0.5000000 0.5000000 0.0147059), wk = 0.0022779 k( 407) = ( 0.5000000 0.5000000 0.0294118), wk = 0.0022779 k( 408) = ( 0.5000000 0.5000000 0.0441177), wk = 0.0022779 k( 409) = ( 0.5000000 0.5000000 0.0588235), wk = 0.0022779 k( 410) = ( 0.5000000 0.5000000 0.0735294), wk = 0.0022779 k( 411) = ( 0.5000000 0.5000000 0.0882353), wk = 0.0022779 k( 412) = ( 0.5000000 0.5000000 0.1029412), wk = 0.0022779 k( 413) = ( 0.5000000 0.5000000 0.1176471), wk = 0.0022779 k( 414) = ( 0.5000000 0.5000000 0.1323529), wk = 0.0022779 k( 415) = ( 0.5000000 0.5000000 0.1470588), wk = 0.0022779 k( 416) = ( 0.5000000 0.5000000 0.1617647), wk = 0.0022779 k( 417) = ( 0.5000000 0.5000000 0.1764706), wk = 0.0022779 k( 418) = ( 0.5000000 0.5000000 0.1911765), wk = 0.0022779 k( 419) = ( 0.5000000 0.5000000 0.2058823), wk = 0.0022779 k( 420) = ( 0.5000000 0.5000000 0.2205882), wk = 0.0022779 k( 421) = ( 0.5000000 0.5000000 0.2352941), wk = 0.0022779 k( 422) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0022779 k( 423) = ( 0.5000000 0.5000000 0.2647059), wk = 0.0022779 k( 424) = ( 0.5000000 0.5000000 0.2794118), wk = 0.0022779 k( 425) = ( 0.5000000 0.5000000 0.2941177), wk = 0.0022779 k( 426) = ( 0.5000000 0.5000000 0.3088235), wk = 0.0022779 k( 427) = ( 0.5000000 0.5000000 0.3235294), wk = 0.0022779 k( 428) = ( 0.5000000 0.5000000 0.3382353), wk = 0.0022779 k( 429) = ( 0.5000000 0.5000000 0.3529412), wk = 0.0022779 k( 430) = ( 0.5000000 0.5000000 0.3676471), wk = 0.0022779 k( 431) = ( 0.5000000 0.5000000 0.3823529), wk = 0.0022779 k( 432) = ( 0.5000000 0.5000000 0.3970588), wk = 0.0022779 k( 433) = ( 0.5000000 0.5000000 0.4117647), wk = 0.0022779 k( 434) = ( 0.5000000 0.5000000 0.4264706), wk = 0.0022779 k( 435) = ( 0.5000000 0.5000000 0.4411765), wk = 0.0022779 k( 436) = ( 0.5000000 0.5000000 0.4558823), wk = 0.0022779 k( 437) = ( 0.5000000 0.5000000 0.4705882), wk = 0.0022779 k( 438) = ( 0.5000000 0.5000000 0.4852941), wk = 0.0022779 k( 439) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022779 Dense grid: 35099 G-vectors FFT dimensions: ( 40, 40, 54) Smooth grid: 13877 G-vectors FFT dimensions: ( 27, 27, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.06 Mb ( 118, 36) NL pseudopotentials 0.08 Mb ( 59, 84) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 1100) G-vector shells 0.00 Mb ( 541) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.26 Mb ( 118, 144) Each subspace H/S matrix 0.32 Mb ( 144, 144) Each matrix 0.09 Mb ( 84, 2, 36) Check: negative/imaginary core charge= -0.000011 0.000000 The potential is recalculated from file : ./CN2.save/charge-density.dat Starting wfc are 48 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.6 secs Computing kpt #: 2 total cpu time spent up to now is 3.0 secs Computing kpt #: 3 total cpu time spent up to now is 3.4 secs Computing kpt #: 4 total cpu time spent up to now is 3.8 secs Computing kpt #: 5 total cpu time spent up to now is 4.2 secs Computing kpt #: 6 total cpu time spent up to now is 4.6 secs Computing kpt #: 7 total cpu time spent up to now is 4.9 secs Computing kpt #: 8 total cpu time spent up to now is 5.4 secs Computing kpt #: 9 total cpu time spent up to now is 5.7 secs Computing kpt #: 10 total cpu time spent up to now is 6.1 secs Computing kpt #: 11 total cpu time spent up to now is 6.5 secs Computing kpt #: 12 total cpu time spent up to now is 6.9 secs Computing kpt #: 13 total cpu time spent up to now is 7.2 secs Computing kpt #: 14 total cpu time spent up to now is 7.6 secs Computing kpt #: 15 total cpu time spent up to now is 8.0 secs Computing kpt #: 16 total cpu time spent up to now is 8.4 secs Computing kpt #: 17 total cpu time spent up to now is 8.8 secs Computing kpt #: 18 total cpu time spent up to now is 9.2 secs Computing kpt #: 19 total cpu time spent up to now is 9.6 secs Computing kpt #: 20 total cpu time spent up to now is 10.0 secs Computing kpt #: 21 total cpu time spent up to now is 10.5 secs Computing kpt #: 22 total cpu time spent up to now is 11.1 secs Computing kpt #: 23 total cpu time spent up to now is 11.5 secs Computing kpt #: 24 total cpu time spent up to now is 12.0 secs Computing kpt #: 25 total cpu time spent up to now is 12.5 secs Computing kpt #: 26 total cpu time spent up to now is 12.9 secs Computing kpt #: 27 total cpu time spent up to now is 13.4 secs Computing kpt #: 28 total cpu time spent up to now is 13.8 secs Computing kpt #: 29 total cpu time spent up to now is 14.2 secs Computing kpt #: 30 total cpu time spent up to now is 14.7 secs Computing kpt #: 31 total cpu time spent up to now is 15.1 secs Computing kpt #: 32 total cpu time spent up to now is 15.4 secs Computing kpt #: 33 total cpu time spent up to now is 15.8 secs Computing kpt #: 34 total cpu time spent up to now is 16.3 secs Computing kpt #: 35 total cpu time spent up to now is 16.8 secs Computing kpt #: 36 total cpu time spent up to now is 17.4 secs Computing kpt #: 37 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 18.3 secs Computing kpt #: 38 total cpu time spent up to now is 18.7 secs Computing kpt #: 39 total cpu time spent up to now is 19.0 secs Computing kpt #: 40 total cpu time spent up to now is 19.4 secs Computing kpt #: 41 total cpu time spent up to now is 19.7 secs Computing kpt #: 42 total cpu time spent up to now is 20.1 secs Computing kpt #: 43 total cpu time spent up to now is 20.4 secs Computing kpt #: 44 total cpu time spent up to now is 20.7 secs Computing kpt #: 45 total cpu time spent up to now is 21.1 secs Computing kpt #: 46 total cpu time spent up to now is 21.4 secs Computing kpt #: 47 total cpu time spent up to now is 21.7 secs Computing kpt #: 48 total cpu time spent up to now is 22.0 secs Computing kpt #: 49 total cpu time spent up to now is 22.3 secs Computing kpt #: 50 total cpu time spent up to now is 22.6 secs Computing kpt #: 51 total cpu time spent up to now is 22.9 secs Computing kpt #: 52 total cpu time spent up to now is 23.2 secs Computing kpt #: 53 total cpu time spent up to now is 23.5 secs Computing kpt #: 54 total cpu time spent up to now is 23.8 secs Computing kpt #: 55 total cpu time spent up to now is 24.1 secs Computing kpt #: 56 total cpu time spent up to now is 24.4 secs Computing kpt #: 57 total cpu time spent up to now is 24.7 secs Computing kpt #: 58 total cpu time spent up to now is 25.0 secs Computing kpt #: 59 total cpu time spent up to now is 25.4 secs Computing kpt #: 60 total cpu time spent up to now is 25.7 secs Computing kpt #: 61 total cpu time spent up to now is 26.0 secs Computing kpt #: 62 total cpu time spent up to now is 26.4 secs Computing kpt #: 63 total cpu time spent up to now is 26.7 secs Computing kpt #: 64 total cpu time spent up to now is 27.0 secs Computing kpt #: 65 total cpu time spent up to now is 27.3 secs Computing kpt #: 66 total cpu time spent up to now is 27.6 secs Computing kpt #: 67 total cpu time spent up to now is 27.9 secs Computing kpt #: 68 total cpu time spent up to now is 28.2 secs Computing kpt #: 69 total cpu time spent up to now is 28.5 secs Computing kpt #: 70 total cpu time spent up to now is 28.8 secs Computing kpt #: 71 total cpu time spent up to now is 29.2 secs Computing kpt #: 72 total cpu time spent up to now is 29.5 secs Computing kpt #: 73 total cpu time spent up to now is 29.8 secs Computing kpt #: 74 total cpu time spent up to now is 30.1 secs Computing kpt #: 75 total cpu time spent up to now is 30.4 secs Computing kpt #: 76 total cpu time spent up to now is 30.7 secs Computing kpt #: 77 total cpu time spent up to now is 31.1 secs Computing kpt #: 78 total cpu time spent up to now is 31.4 secs Computing kpt #: 79 total cpu time spent up to now is 31.8 secs Computing kpt #: 80 total cpu time spent up to now is 32.1 secs Computing kpt #: 81 total cpu time spent up to now is 32.5 secs Computing kpt #: 82 total cpu time spent up to now is 32.8 secs Computing kpt #: 83 total cpu time spent up to now is 33.2 secs Computing kpt #: 84 total cpu time spent up to now is 33.5 secs Computing kpt #: 85 total cpu time spent up to now is 33.9 secs Computing kpt #: 86 total cpu time spent up to now is 34.2 secs Computing kpt #: 87 total cpu time spent up to now is 34.6 secs Computing kpt #: 88 total cpu time spent up to now is 35.0 secs Computing kpt #: 89 total cpu time spent up to now is 35.3 secs Computing kpt #: 90 total cpu time spent up to now is 35.7 secs Computing kpt #: 91 total cpu time spent up to now is 36.0 secs Computing kpt #: 92 total cpu time spent up to now is 36.4 secs Computing kpt #: 93 total cpu time spent up to now is 36.8 secs Computing kpt #: 94 total cpu time spent up to now is 37.1 secs Computing kpt #: 95 total cpu time spent up to now is 37.5 secs Computing kpt #: 96 total cpu time spent up to now is 37.8 secs Computing kpt #: 97 total cpu time spent up to now is 38.2 secs Computing kpt #: 98 total cpu time spent up to now is 38.5 secs Computing kpt #: 99 total cpu time spent up to now is 38.9 secs Computing kpt #: 100 total cpu time spent up to now is 39.2 secs Computing kpt #: 101 total cpu time spent up to now is 39.6 secs Computing kpt #: 102 total cpu time spent up to now is 40.0 secs Computing kpt #: 103 total cpu time spent up to now is 40.3 secs Computing kpt #: 104 total cpu time spent up to now is 40.7 secs Computing kpt #: 105 total cpu time spent up to now is 41.1 secs Computing kpt #: 106 total cpu time spent up to now is 41.4 secs Computing kpt #: 107 total cpu time spent up to now is 41.8 secs Computing kpt #: 108 total cpu time spent up to now is 42.2 secs Computing kpt #: 109 total cpu time spent up to now is 42.5 secs Computing kpt #: 110 total cpu time spent up to now is 42.9 secs Computing kpt #: 111 total cpu time spent up to now is 43.2 secs Computing kpt #: 112 total cpu time spent up to now is 43.6 secs Computing kpt #: 113 total cpu time spent up to now is 44.0 secs Computing kpt #: 114 total cpu time spent up to now is 44.3 secs Computing kpt #: 115 total cpu time spent up to now is 44.7 secs Computing kpt #: 116 total cpu time spent up to now is 45.0 secs Computing kpt #: 117 total cpu time spent up to now is 45.4 secs Computing kpt #: 118 total cpu time spent up to now is 45.7 secs Computing kpt #: 119 total cpu time spent up to now is 46.1 secs Computing kpt #: 120 total cpu time spent up to now is 46.4 secs Computing kpt #: 121 total cpu time spent up to now is 46.8 secs Computing kpt #: 122 total cpu time spent up to now is 47.1 secs Computing kpt #: 123 total cpu time spent up to now is 47.5 secs Computing kpt #: 124 total cpu time spent up to now is 47.8 secs Computing kpt #: 125 total cpu time spent up to now is 48.2 secs Computing kpt #: 126 total cpu time spent up to now is 48.5 secs Computing kpt #: 127 total cpu time spent up to now is 48.9 secs Computing kpt #: 128 total cpu time spent up to now is 49.2 secs Computing kpt #: 129 total cpu time spent up to now is 49.6 secs Computing kpt #: 130 total cpu time spent up to now is 49.9 secs Computing kpt #: 131 total cpu time spent up to now is 50.3 secs Computing kpt #: 132 total cpu time spent up to now is 50.6 secs Computing kpt #: 133 total cpu time spent up to now is 51.0 secs Computing kpt #: 134 total cpu time spent up to now is 51.3 secs Computing kpt #: 135 total cpu time spent up to now is 51.6 secs Computing kpt #: 136 total cpu time spent up to now is 51.9 secs Computing kpt #: 137 total cpu time spent up to now is 52.3 secs Computing kpt #: 138 total cpu time spent up to now is 52.6 secs Computing kpt #: 139 total cpu time spent up to now is 53.0 secs Computing kpt #: 140 total cpu time spent up to now is 53.3 secs Computing kpt #: 141 total cpu time spent up to now is 53.6 secs Computing kpt #: 142 total cpu time spent up to now is 54.0 secs Computing kpt #: 143 total cpu time spent up to now is 54.3 secs Computing kpt #: 144 total cpu time spent up to now is 54.6 secs Computing kpt #: 145 total cpu time spent up to now is 55.0 secs Computing kpt #: 146 total cpu time spent up to now is 55.3 secs Computing kpt #: 147 total cpu time spent up to now is 55.6 secs Computing kpt #: 148 total cpu time spent up to now is 56.0 secs Computing kpt #: 149 total cpu time spent up to now is 56.3 secs Computing kpt #: 150 total cpu time spent up to now is 56.7 secs Computing kpt #: 151 total cpu time spent up to now is 57.0 secs Computing kpt #: 152 total cpu time spent up to now is 57.4 secs Computing kpt #: 153 total cpu time spent up to now is 57.7 secs Computing kpt #: 154 total cpu time spent up to now is 58.1 secs Computing kpt #: 155 total cpu time spent up to now is 58.4 secs Computing kpt #: 156 total cpu time spent up to now is 58.8 secs Computing kpt #: 157 total cpu time spent up to now is 59.2 secs Computing kpt #: 158 total cpu time spent up to now is 59.6 secs Computing kpt #: 159 total cpu time spent up to now is 60.0 secs Computing kpt #: 160 total cpu time spent up to now is 60.4 secs Computing kpt #: 161 total cpu time spent up to now is 60.8 secs Computing kpt #: 162 total cpu time spent up to now is 61.1 secs Computing kpt #: 163 total cpu time spent up to now is 61.5 secs Computing kpt #: 164 total cpu time spent up to now is 61.9 secs Computing kpt #: 165 total cpu time spent up to now is 62.3 secs Computing kpt #: 166 total cpu time spent up to now is 62.7 secs Computing kpt #: 167 total cpu time spent up to now is 63.0 secs Computing kpt #: 168 total cpu time spent up to now is 63.4 secs Computing kpt #: 169 total cpu time spent up to now is 63.8 secs Computing kpt #: 170 total cpu time spent up to now is 64.2 secs Computing kpt #: 171 total cpu time spent up to now is 64.5 secs Computing kpt #: 172 total cpu time spent up to now is 64.9 secs Computing kpt #: 173 total cpu time spent up to now is 65.3 secs Computing kpt #: 174 total cpu time spent up to now is 65.7 secs Computing kpt #: 175 total cpu time spent up to now is 66.1 secs Computing kpt #: 176 total cpu time spent up to now is 66.4 secs Computing kpt #: 177 total cpu time spent up to now is 66.8 secs Computing kpt #: 178 total cpu time spent up to now is 67.2 secs Computing kpt #: 179 total cpu time spent up to now is 67.5 secs Computing kpt #: 180 total cpu time spent up to now is 67.9 secs Computing kpt #: 181 total cpu time spent up to now is 68.3 secs Computing kpt #: 182 total cpu time spent up to now is 68.6 secs Computing kpt #: 183 total cpu time spent up to now is 69.0 secs Computing kpt #: 184 total cpu time spent up to now is 69.3 secs Computing kpt #: 185 total cpu time spent up to now is 69.7 secs Computing kpt #: 186 total cpu time spent up to now is 70.0 secs Computing kpt #: 187 total cpu time spent up to now is 70.4 secs Computing kpt #: 188 total cpu time spent up to now is 70.7 secs Computing kpt #: 189 total cpu time spent up to now is 71.0 secs Computing kpt #: 190 total cpu time spent up to now is 71.4 secs Computing kpt #: 191 total cpu time spent up to now is 71.7 secs Computing kpt #: 192 total cpu time spent up to now is 72.0 secs Computing kpt #: 193 total cpu time spent up to now is 72.4 secs Computing kpt #: 194 total cpu time spent up to now is 72.7 secs Computing kpt #: 195 total cpu time spent up to now is 73.0 secs Computing kpt #: 196 total cpu time spent up to now is 73.3 secs Computing kpt #: 197 total cpu time spent up to now is 73.7 secs Computing kpt #: 198 total cpu time spent up to now is 74.0 secs Computing kpt #: 199 total cpu time spent up to now is 74.4 secs Computing kpt #: 200 total cpu time spent up to now is 74.7 secs Computing kpt #: 201 total cpu time spent up to now is 75.0 secs Computing kpt #: 202 total cpu time spent up to now is 75.4 secs Computing kpt #: 203 total cpu time spent up to now is 75.8 secs Computing kpt #: 204 total cpu time spent up to now is 76.2 secs Computing kpt #: 205 total cpu time spent up to now is 76.6 secs Computing kpt #: 206 total cpu time spent up to now is 77.0 secs Computing kpt #: 207 total cpu time spent up to now is 77.4 secs Computing kpt #: 208 total cpu time spent up to now is 77.8 secs Computing kpt #: 209 total cpu time spent up to now is 78.2 secs Computing kpt #: 210 total cpu time spent up to now is 78.8 secs Computing kpt #: 211 total cpu time spent up to now is 79.3 secs Computing kpt #: 212 total cpu time spent up to now is 79.8 secs Computing kpt #: 213 total cpu time spent up to now is 80.2 secs Computing kpt #: 214 total cpu time spent up to now is 80.7 secs Computing kpt #: 215 total cpu time spent up to now is 81.1 secs Computing kpt #: 216 total cpu time spent up to now is 81.5 secs Computing kpt #: 217 total cpu time spent up to now is 81.9 secs Computing kpt #: 218 total cpu time spent up to now is 82.2 secs Computing kpt #: 219 total cpu time spent up to now is 82.6 secs Computing kpt #: 220 total cpu time spent up to now is 82.9 secs Computing kpt #: 221 total cpu time spent up to now is 83.3 secs Computing kpt #: 222 total cpu time spent up to now is 83.6 secs Computing kpt #: 223 total cpu time spent up to now is 84.0 secs Computing kpt #: 224 total cpu time spent up to now is 84.4 secs Computing kpt #: 225 total cpu time spent up to now is 84.8 secs Computing kpt #: 226 total cpu time spent up to now is 85.2 secs Computing kpt #: 227 total cpu time spent up to now is 85.5 secs Computing kpt #: 228 total cpu time spent up to now is 85.9 secs Computing kpt #: 229 total cpu time spent up to now is 86.3 secs Computing kpt #: 230 total cpu time spent up to now is 86.6 secs Computing kpt #: 231 total cpu time spent up to now is 87.0 secs Computing kpt #: 232 total cpu time spent up to now is 87.4 secs Computing kpt #: 233 total cpu time spent up to now is 87.8 secs Computing kpt #: 234 total cpu time spent up to now is 88.2 secs Computing kpt #: 235 total cpu time spent up to now is 88.6 secs Computing kpt #: 236 total cpu time spent up to now is 88.9 secs Computing kpt #: 237 total cpu time spent up to now is 89.3 secs Computing kpt #: 238 total cpu time spent up to now is 89.6 secs Computing kpt #: 239 total cpu time spent up to now is 90.0 secs Computing kpt #: 240 total cpu time spent up to now is 90.3 secs Computing kpt #: 241 total cpu time spent up to now is 90.6 secs Computing kpt #: 242 total cpu time spent up to now is 91.0 secs Computing kpt #: 243 total cpu time spent up to now is 91.3 secs Computing kpt #: 244 total cpu time spent up to now is 91.6 secs Computing kpt #: 245 total cpu time spent up to now is 91.9 secs Computing kpt #: 246 total cpu time spent up to now is 92.2 secs Computing kpt #: 247 total cpu time spent up to now is 92.5 secs Computing kpt #: 248 total cpu time spent up to now is 92.8 secs Computing kpt #: 249 total cpu time spent up to now is 93.1 secs Computing kpt #: 250 total cpu time spent up to now is 93.4 secs Computing kpt #: 251 total cpu time spent up to now is 93.7 secs Computing kpt #: 252 total cpu time spent up to now is 94.0 secs Computing kpt #: 253 total cpu time spent up to now is 94.3 secs Computing kpt #: 254 total cpu time spent up to now is 94.5 secs Computing kpt #: 255 total cpu time spent up to now is 94.8 secs Computing kpt #: 256 total cpu time spent up to now is 95.1 secs Computing kpt #: 257 total cpu time spent up to now is 95.4 secs Computing kpt #: 258 total cpu time spent up to now is 95.7 secs Computing kpt #: 259 total cpu time spent up to now is 95.9 secs Computing kpt #: 260 total cpu time spent up to now is 96.2 secs Computing kpt #: 261 total cpu time spent up to now is 96.5 secs Computing kpt #: 262 total cpu time spent up to now is 96.8 secs Computing kpt #: 263 total cpu time spent up to now is 97.1 secs Computing kpt #: 264 total cpu time spent up to now is 97.4 secs Computing kpt #: 265 total cpu time spent up to now is 97.6 secs Computing kpt #: 266 total cpu time spent up to now is 97.9 secs Computing kpt #: 267 total cpu time spent up to now is 98.2 secs Computing kpt #: 268 total cpu time spent up to now is 98.5 secs Computing kpt #: 269 total cpu time spent up to now is 98.8 secs Computing kpt #: 270 total cpu time spent up to now is 99.1 secs Computing kpt #: 271 total cpu time spent up to now is 99.4 secs Computing kpt #: 272 total cpu time spent up to now is 99.7 secs Computing kpt #: 273 total cpu time spent up to now is 100.1 secs Computing kpt #: 274 total cpu time spent up to now is 100.4 secs Computing kpt #: 275 total cpu time spent up to now is 100.7 secs Computing kpt #: 276 total cpu time spent up to now is 101.1 secs Computing kpt #: 277 total cpu time spent up to now is 101.4 secs Computing kpt #: 278 total cpu time spent up to now is 101.7 secs Computing kpt #: 279 total cpu time spent up to now is 102.1 secs Computing kpt #: 280 total cpu time spent up to now is 102.4 secs Computing kpt #: 281 total cpu time spent up to now is 102.8 secs Computing kpt #: 282 total cpu time spent up to now is 103.1 secs Computing kpt #: 283 total cpu time spent up to now is 103.4 secs Computing kpt #: 284 total cpu time spent up to now is 103.8 secs Computing kpt #: 285 total cpu time spent up to now is 104.1 secs Computing kpt #: 286 total cpu time spent up to now is 104.5 secs Computing kpt #: 287 total cpu time spent up to now is 104.8 secs Computing kpt #: 288 total cpu time spent up to now is 105.2 secs Computing kpt #: 289 total cpu time spent up to now is 105.5 secs Computing kpt #: 290 total cpu time spent up to now is 105.9 secs Computing kpt #: 291 total cpu time spent up to now is 106.2 secs Computing kpt #: 292 total cpu time spent up to now is 106.6 secs Computing kpt #: 293 total cpu time spent up to now is 107.0 secs Computing kpt #: 294 total cpu time spent up to now is 107.3 secs Computing kpt #: 295 total cpu time spent up to now is 107.7 secs Computing kpt #: 296 total cpu time spent up to now is 108.0 secs Computing kpt #: 297 total cpu time spent up to now is 108.5 secs Computing kpt #: 298 total cpu time spent up to now is 109.0 secs Computing kpt #: 299 total cpu time spent up to now is 109.4 secs Computing kpt #: 300 total cpu time spent up to now is 109.9 secs Computing kpt #: 301 total cpu time spent up to now is 110.3 secs Computing kpt #: 302 total cpu time spent up to now is 110.8 secs Computing kpt #: 303 total cpu time spent up to now is 111.2 secs Computing kpt #: 304 total cpu time spent up to now is 111.9 secs Computing kpt #: 305 total cpu time spent up to now is 112.3 secs Computing kpt #: 306 total cpu time spent up to now is 112.7 secs Computing kpt #: 307 total cpu time spent up to now is 113.0 secs Computing kpt #: 308 total cpu time spent up to now is 113.4 secs Computing kpt #: 309 total cpu time spent up to now is 113.8 secs Computing kpt #: 310 total cpu time spent up to now is 114.2 secs Computing kpt #: 311 total cpu time spent up to now is 114.6 secs Computing kpt #: 312 total cpu time spent up to now is 115.0 secs Computing kpt #: 313 total cpu time spent up to now is 115.4 secs Computing kpt #: 314 total cpu time spent up to now is 115.8 secs Computing kpt #: 315 total cpu time spent up to now is 116.1 secs Computing kpt #: 316 total cpu time spent up to now is 116.5 secs Computing kpt #: 317 total cpu time spent up to now is 116.9 secs Computing kpt #: 318 total cpu time spent up to now is 117.2 secs Computing kpt #: 319 total cpu time spent up to now is 117.6 secs Computing kpt #: 320 total cpu time spent up to now is 117.9 secs Computing kpt #: 321 total cpu time spent up to now is 118.3 secs Computing kpt #: 322 total cpu time spent up to now is 118.6 secs Computing kpt #: 323 total cpu time spent up to now is 119.0 secs Computing kpt #: 324 total cpu time spent up to now is 119.4 secs Computing kpt #: 325 total cpu time spent up to now is 119.8 secs Computing kpt #: 326 total cpu time spent up to now is 120.1 secs Computing kpt #: 327 total cpu time spent up to now is 120.5 secs Computing kpt #: 328 total cpu time spent up to now is 120.8 secs Computing kpt #: 329 total cpu time spent up to now is 121.3 secs Computing kpt #: 330 total cpu time spent up to now is 121.7 secs Computing kpt #: 331 total cpu time spent up to now is 122.0 secs Computing kpt #: 332 total cpu time spent up to now is 122.5 secs Computing kpt #: 333 total cpu time spent up to now is 122.8 secs Computing kpt #: 334 total cpu time spent up to now is 123.3 secs Computing kpt #: 335 total cpu time spent up to now is 123.6 secs Computing kpt #: 336 total cpu time spent up to now is 124.0 secs Computing kpt #: 337 total cpu time spent up to now is 124.3 secs Computing kpt #: 338 total cpu time spent up to now is 124.6 secs Computing kpt #: 339 total cpu time spent up to now is 124.9 secs Computing kpt #: 340 total cpu time spent up to now is 125.3 secs Computing kpt #: 341 total cpu time spent up to now is 125.6 secs Computing kpt #: 342 total cpu time spent up to now is 125.9 secs Computing kpt #: 343 total cpu time spent up to now is 126.2 secs Computing kpt #: 344 total cpu time spent up to now is 126.5 secs Computing kpt #: 345 total cpu time spent up to now is 126.9 secs Computing kpt #: 346 total cpu time spent up to now is 127.2 secs Computing kpt #: 347 total cpu time spent up to now is 127.5 secs Computing kpt #: 348 total cpu time spent up to now is 127.9 secs Computing kpt #: 349 total cpu time spent up to now is 128.2 secs Computing kpt #: 350 total cpu time spent up to now is 128.5 secs Computing kpt #: 351 total cpu time spent up to now is 128.9 secs Computing kpt #: 352 total cpu time spent up to now is 129.2 secs Computing kpt #: 353 total cpu time spent up to now is 129.6 secs Computing kpt #: 354 total cpu time spent up to now is 129.9 secs Computing kpt #: 355 total cpu time spent up to now is 130.3 secs Computing kpt #: 356 total cpu time spent up to now is 130.6 secs Computing kpt #: 357 total cpu time spent up to now is 131.0 secs Computing kpt #: 358 total cpu time spent up to now is 131.3 secs Computing kpt #: 359 total cpu time spent up to now is 131.7 secs Computing kpt #: 360 total cpu time spent up to now is 132.1 secs Computing kpt #: 361 total cpu time spent up to now is 132.5 secs Computing kpt #: 362 total cpu time spent up to now is 132.9 secs Computing kpt #: 363 total cpu time spent up to now is 133.2 secs Computing kpt #: 364 total cpu time spent up to now is 133.6 secs Computing kpt #: 365 total cpu time spent up to now is 134.1 secs Computing kpt #: 366 total cpu time spent up to now is 134.5 secs Computing kpt #: 367 total cpu time spent up to now is 134.8 secs Computing kpt #: 368 total cpu time spent up to now is 135.2 secs Computing kpt #: 369 total cpu time spent up to now is 135.6 secs Computing kpt #: 370 total cpu time spent up to now is 135.9 secs Computing kpt #: 371 total cpu time spent up to now is 136.2 secs Computing kpt #: 372 total cpu time spent up to now is 136.5 secs Computing kpt #: 373 total cpu time spent up to now is 136.8 secs Computing kpt #: 374 total cpu time spent up to now is 137.1 secs Computing kpt #: 375 total cpu time spent up to now is 137.4 secs Computing kpt #: 376 total cpu time spent up to now is 137.7 secs Computing kpt #: 377 total cpu time spent up to now is 138.0 secs Computing kpt #: 378 total cpu time spent up to now is 138.3 secs Computing kpt #: 379 total cpu time spent up to now is 138.7 secs Computing kpt #: 380 total cpu time spent up to now is 139.0 secs Computing kpt #: 381 total cpu time spent up to now is 139.3 secs Computing kpt #: 382 total cpu time spent up to now is 139.6 secs Computing kpt #: 383 total cpu time spent up to now is 140.0 secs Computing kpt #: 384 total cpu time spent up to now is 140.3 secs Computing kpt #: 385 total cpu time spent up to now is 140.6 secs Computing kpt #: 386 total cpu time spent up to now is 140.9 secs Computing kpt #: 387 total cpu time spent up to now is 141.2 secs Computing kpt #: 388 total cpu time spent up to now is 141.6 secs Computing kpt #: 389 total cpu time spent up to now is 141.9 secs Computing kpt #: 390 total cpu time spent up to now is 142.2 secs Computing kpt #: 391 total cpu time spent up to now is 142.5 secs Computing kpt #: 392 total cpu time spent up to now is 142.8 secs Computing kpt #: 393 total cpu time spent up to now is 143.1 secs Computing kpt #: 394 total cpu time spent up to now is 143.4 secs Computing kpt #: 395 total cpu time spent up to now is 143.6 secs Computing kpt #: 396 total cpu time spent up to now is 144.0 secs Computing kpt #: 397 total cpu time spent up to now is 144.2 secs Computing kpt #: 398 total cpu time spent up to now is 144.5 secs Computing kpt #: 399 total cpu time spent up to now is 144.8 secs Computing kpt #: 400 total cpu time spent up to now is 145.1 secs Computing kpt #: 401 total cpu time spent up to now is 145.4 secs Computing kpt #: 402 total cpu time spent up to now is 145.7 secs Computing kpt #: 403 total cpu time spent up to now is 146.0 secs Computing kpt #: 404 total cpu time spent up to now is 146.3 secs Computing kpt #: 405 total cpu time spent up to now is 146.6 secs Computing kpt #: 406 total cpu time spent up to now is 147.0 secs Computing kpt #: 407 total cpu time spent up to now is 147.3 secs Computing kpt #: 408 total cpu time spent up to now is 147.7 secs Computing kpt #: 409 total cpu time spent up to now is 148.1 secs Computing kpt #: 410 total cpu time spent up to now is 148.4 secs Computing kpt #: 411 total cpu time spent up to now is 148.8 secs Computing kpt #: 412 total cpu time spent up to now is 149.1 secs Computing kpt #: 413 total cpu time spent up to now is 149.5 secs Computing kpt #: 414 total cpu time spent up to now is 149.8 secs Computing kpt #: 415 total cpu time spent up to now is 150.2 secs Computing kpt #: 416 total cpu time spent up to now is 150.6 secs Computing kpt #: 417 total cpu time spent up to now is 150.9 secs Computing kpt #: 418 total cpu time spent up to now is 151.3 secs Computing kpt #: 419 total cpu time spent up to now is 151.7 secs Computing kpt #: 420 total cpu time spent up to now is 152.1 secs Computing kpt #: 421 total cpu time spent up to now is 152.4 secs Computing kpt #: 422 total cpu time spent up to now is 152.8 secs Computing kpt #: 423 total cpu time spent up to now is 153.2 secs Computing kpt #: 424 total cpu time spent up to now is 153.6 secs Computing kpt #: 425 total cpu time spent up to now is 154.0 secs Computing kpt #: 426 total cpu time spent up to now is 154.4 secs Computing kpt #: 427 total cpu time spent up to now is 154.7 secs Computing kpt #: 428 total cpu time spent up to now is 155.1 secs Computing kpt #: 429 total cpu time spent up to now is 155.5 secs Computing kpt #: 430 total cpu time spent up to now is 156.0 secs Computing kpt #: 431 total cpu time spent up to now is 156.4 secs Computing kpt #: 432 total cpu time spent up to now is 156.9 secs Computing kpt #: 433 total cpu time spent up to now is 157.4 secs Computing kpt #: 434 total cpu time spent up to now is 157.9 secs Computing kpt #: 435 total cpu time spent up to now is 158.3 secs Computing kpt #: 436 total cpu time spent up to now is 158.7 secs Computing kpt #: 437 total cpu time spent up to now is 159.3 secs Computing kpt #: 438 total cpu time spent up to now is 159.8 secs Computing kpt #: 439 total cpu time spent up to now is 160.3 secs ethr = 3.57E-11, avg # of iterations = 28.8 total cpu time spent up to now is 160.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1739 PWs) bands (ev): -18.3655 -18.3655 -12.9516 -12.9516 -9.0424 -9.0424 -9.0415 -9.0415 -6.9497 -6.9497 -4.1127 -4.1127 -2.7488 -2.7488 -1.5408 -1.5408 -1.5386 -1.5386 -1.0509 -1.0509 1.5054 1.5054 2.6187 2.6187 4.7402 4.7402 4.7414 4.7414 10.9111 10.9111 10.9204 10.9204 10.9223 10.9223 14.7766 14.7766 k = 0.0000 0.0104-0.0000 ( 1741 PWs) bands (ev): -18.3645 -18.3645 -12.9526 -12.9526 -9.0495 -9.0493 -9.0414 -9.0414 -6.9415 -6.9414 -4.1160 -4.1158 -2.7472 -2.7471 -1.5450 -1.5445 -1.5416 -1.5415 -1.0458 -1.0455 1.5071 1.5073 2.6192 2.6196 4.7395 4.7397 4.7420 4.7420 10.9095 10.9096 10.9185 10.9186 10.9292 10.9295 14.7780 14.7780 k = 0.0000 0.0208-0.0000 ( 1737 PWs) bands (ev): -18.3613 -18.3613 -12.9556 -12.9555 -9.0712 -9.0710 -9.0398 -9.0397 -6.9172 -6.9169 -4.1260 -4.1256 -2.7424 -2.7421 -1.5581 -1.5570 -1.5487 -1.5485 -1.0308 -1.0304 1.5123 1.5126 2.6211 2.6220 4.7365 4.7368 4.7448 4.7450 10.9080 10.9083 10.9170 10.9171 10.9429 10.9435 14.7819 14.7821 k = 0.0000 0.0312-0.0000 ( 1741 PWs) bands (ev): -18.3560 -18.3560 -12.9605 -12.9605 -9.1062 -9.1059 -9.0371 -9.0370 -6.8779 -6.8775 -4.1424 -4.1418 -2.7343 -2.7340 -1.5780 -1.5764 -1.5601 -1.5597 -1.0079 -1.0074 1.5209 1.5214 2.6243 2.6256 4.7312 4.7317 4.7498 4.7500 10.9063 10.9066 10.9174 10.9177 10.9619 10.9628 14.7883 14.7886 k = 0.0000 0.0417-0.0000 ( 1741 PWs) bands (ev): -18.3487 -18.3486 -12.9675 -12.9675 -9.1526 -9.1521 -9.0332 -9.0331 -6.8254 -6.8249 -4.1651 -4.1644 -2.7231 -2.7226 -1.6022 -1.6001 -1.5756 -1.5752 -0.9796 -0.9791 1.5330 1.5337 2.6288 2.6306 4.7242 4.7247 4.7569 4.7572 10.9018 10.9021 10.9227 10.9233 10.9863 10.9875 14.7968 14.7972 k = 0.0000 0.0521-0.0000 ( 1745 PWs) bands (ev): -18.3392 -18.3392 -12.9767 -12.9767 -9.2083 -9.2078 -9.0284 -9.0282 -6.7617 -6.7611 -4.1941 -4.1932 -2.7088 -2.7082 -1.6286 -1.6262 -1.5952 -1.5947 -0.9480 -0.9476 1.5485 1.5493 2.6345 2.6366 4.7153 4.7159 4.7659 4.7663 10.8949 10.8951 10.9321 10.9330 11.0158 11.0173 14.8069 14.8074 k = 0.0000 0.0625-0.0000 ( 1751 PWs) bands (ev): -18.3276 -18.3276 -12.9883 -12.9882 -9.2713 -9.2707 -9.0225 -9.0223 -6.6889 -6.6881 -4.2291 -4.2281 -2.6916 -2.6909 -1.6556 -1.6530 -1.6186 -1.6179 -0.9150 -0.9148 1.5673 1.5683 2.6410 2.6435 4.7049 4.7056 4.7771 4.7776 10.8862 10.8863 10.9451 10.9462 11.0506 11.0524 14.8179 14.8185 k = 0.0000 0.0729-0.0000 ( 1751 PWs) bands (ev): -18.3139 -18.3139 -13.0023 -13.0021 -9.3396 -9.3390 -9.0156 -9.0153 -6.6088 -6.6080 -4.2698 -4.2687 -2.6715 -2.6707 -1.6819 -1.6791 -1.6451 -1.6444 -0.8821 -0.8820 1.5894 1.5905 2.6484 2.6513 4.6931 4.6940 4.7904 4.7910 10.8761 10.8762 10.9612 10.9626 11.0906 11.0926 14.8290 14.8298 k = 0.0000 0.0833-0.0000 ( 1747 PWs) bands (ev): -18.2981 -18.2981 -13.0189 -13.0188 -9.4115 -9.4108 -9.0077 -9.0075 -6.5233 -6.5224 -4.3159 -4.3147 -2.6488 -2.6478 -1.7066 -1.7037 -1.6745 -1.6737 -0.8503 -0.8502 1.6147 1.6160 2.6564 2.6596 4.6802 4.6812 4.8057 4.8064 10.8647 10.8649 10.9804 10.9820 11.1357 11.1380 14.8393 14.8404 k = 0.0000 0.0938-0.0000 ( 1747 PWs) bands (ev): -18.2803 -18.2802 -13.0383 -13.0382 -9.4852 -9.4844 -8.9990 -8.9987 -6.4338 -6.4329 -4.3672 -4.3658 -2.6239 -2.6228 -1.7292 -1.7263 -1.7060 -1.7051 -0.8206 -0.8203 1.6429 1.6443 2.6646 2.6681 4.6665 4.6677 4.8233 4.8241 10.8522 10.8523 11.0023 11.0041 11.1855 11.1881 14.8480 14.8492 k = 0.0000 0.1042-0.0000 ( 1747 PWs) bands (ev): -18.2603 -18.2603 -13.0608 -13.0607 -9.5594 -9.5587 -8.9894 -8.9891 -6.3418 -6.3408 -4.4230 -4.4216 -2.5972 -2.5960 -1.7493 -1.7465 -1.7388 -1.7380 -0.7935 -0.7930 1.6738 1.6753 2.6728 2.6766 4.6524 4.6537 4.8430 4.8438 10.8387 10.8389 11.0268 11.0288 11.2400 11.2428 14.8542 14.8557 k = 0.0000 0.1146-0.0000 ( 1747 PWs) bands (ev): -18.2382 -18.2382 -13.0866 -13.0865 -9.6330 -9.6322 -8.9791 -8.9787 -6.2484 -6.2474 -4.4832 -4.4817 -2.5695 -2.5681 -1.7725 -1.7713 -1.7666 -1.7634 -0.7695 -0.7688 1.7072 1.7088 2.6808 2.6849 4.6381 4.6396 4.8649 4.8658 10.8245 10.8247 11.0539 11.0561 11.2987 11.3018 14.8576 14.8594 k = 0.0000 0.1250-0.0000 ( 1751 PWs) bands (ev): -18.2141 -18.2141 -13.1159 -13.1157 -9.7049 -9.7041 -8.9680 -8.9676 -6.1546 -6.1535 -4.5470 -4.5456 -2.5417 -2.5402 -1.8046 -1.8036 -1.7812 -1.7782 -0.7488 -0.7479 1.7428 1.7445 2.6882 2.6925 4.6240 4.6257 4.8889 4.8899 10.8096 10.8098 11.0834 11.0858 11.3613 11.3646 14.8583 14.8604 k = 0.0000 0.1354-0.0000 ( 1751 PWs) bands (ev): -18.1879 -18.1878 -13.1488 -13.1486 -9.7742 -9.7733 -8.9564 -8.9560 -6.0612 -6.0601 -4.6142 -4.6127 -2.5153 -2.5137 -1.8342 -1.8332 -1.7929 -1.7900 -0.7316 -0.7304 1.7802 1.7819 2.6948 2.6992 4.6107 4.6126 4.9151 4.9161 10.7943 10.7945 11.1153 11.1178 11.4274 11.4309 14.8566 14.8590 k = 0.0000 0.1458-0.0000 ( 1743 PWs) bands (ev): -18.1596 -18.1595 -13.1856 -13.1854 -9.8401 -9.8392 -8.9443 -8.9438 -5.9692 -5.9680 -4.6841 -4.6826 -2.4922 -2.4904 -1.8588 -1.8578 -1.8019 -1.7990 -0.7178 -0.7165 1.8192 1.8210 2.7001 2.7047 4.5986 4.6006 4.9433 4.9444 10.7788 10.7790 11.1494 11.1521 11.4965 11.5003 14.8534 14.8560 k = 0.0000 0.1562-0.0000 ( 1747 PWs) bands (ev): -18.1292 -18.1292 -13.2265 -13.2263 -9.9020 -9.9010 -8.9318 -8.9312 -5.8790 -5.8779 -4.7563 -4.7549 -2.4748 -2.4729 -1.8758 -1.8749 -1.8083 -1.8055 -0.7077 -0.7062 1.8592 1.8610 2.7040 2.7087 4.5880 4.5902 4.9736 4.9748 10.7629 10.7632 11.1857 11.1885 11.5679 11.5720 14.8495 14.8523 k = 0.0000 0.1667-0.0000 ( 1747 PWs) bands (ev): -18.0968 -18.0967 -13.2716 -13.2714 -9.9593 -9.9583 -8.9190 -8.9184 -5.7914 -5.7903 -4.8303 -4.8289 -2.4655 -2.4635 -1.8824 -1.8816 -1.8122 -1.8096 -0.7010 -0.6993 1.8999 1.9017 2.7060 2.7109 4.5793 4.5817 5.0058 5.0070 10.7473 10.7476 11.2241 11.2271 11.6412 11.6454 14.8457 14.8488 k = 0.0000 0.1771-0.0000 ( 1751 PWs) bands (ev): -18.0623 -18.0622 -13.3210 -13.3208 -10.0116 -10.0107 -8.9061 -8.9055 -5.7070 -5.7058 -4.9055 -4.9041 -2.4662 -2.4641 -1.8765 -1.8756 -1.8140 -1.8115 -0.6976 -0.6956 1.9408 1.9427 2.7060 2.7109 4.5730 4.5756 5.0399 5.0411 10.7318 10.7321 11.2644 11.2675 11.7155 11.7199 14.8430 14.8462 k = 0.0000 0.1875-0.0000 ( 1747 PWs) bands (ev): -18.0257 -18.0257 -13.3747 -13.3745 -10.0586 -10.0576 -8.8933 -8.8926 -5.6262 -5.6251 -4.9814 -4.9801 -2.4774 -2.4753 -1.8572 -1.8564 -1.8137 -1.8114 -0.6972 -0.6950 1.9817 1.9836 2.7038 2.7087 4.5694 4.5722 5.0756 5.0770 10.7168 10.7171 11.3068 11.3100 11.7900 11.7946 14.8419 14.8452 k = 0.0000 0.1979-0.0000 ( 1747 PWs) bands (ev): -17.9871 -17.9871 -13.4328 -13.4325 -10.1000 -10.0990 -8.8807 -8.8800 -5.5496 -5.5484 -5.0576 -5.0563 -2.4979 -2.4958 -1.8254 -1.8247 -1.8116 -1.8097 -0.6996 -0.6972 2.0221 2.0240 2.6991 2.7039 4.5688 4.5719 5.1129 5.1143 10.7025 10.7028 11.3510 11.3544 11.8637 11.8685 14.8429 14.8464 k = 0.0000 0.2083-0.0000 ( 1747 PWs) bands (ev): -17.9465 -17.9465 -13.4951 -13.4948 -10.1357 -10.1347 -8.8684 -8.8677 -5.4775 -5.4764 -5.1334 -5.1322 -2.5258 -2.5238 -1.8087 -1.8067 -1.7829 -1.7819 -0.7044 -0.7019 2.0617 2.0635 2.6919 2.6967 4.5717 4.5749 5.1515 5.1530 10.6889 10.6893 11.3971 11.4005 11.9355 11.9405 14.8408 14.8425 k = 0.0000 0.2188-0.0000 ( 1747 PWs) bands (ev): -17.9039 -17.9039 -13.5615 -13.5613 -10.1656 -10.1646 -8.8568 -8.8560 -5.4105 -5.4093 -5.2085 -5.2073 -2.5587 -2.5568 -1.8043 -1.8025 -1.7319 -1.7309 -0.7114 -0.7086 2.1001 2.1019 2.6821 2.6868 4.5780 4.5815 5.1912 5.1927 10.6762 10.6767 11.4449 11.4485 12.0042 12.0092 14.7507 14.7522 k = 0.0000 0.2292-0.0000 ( 1749 PWs) bands (ev): -17.8592 -17.8592 -13.6320 -13.6318 -10.1898 -10.1887 -8.8460 -8.8451 -5.3489 -5.3478 -5.2824 -5.2812 -2.5945 -2.5926 -1.7992 -1.7977 -1.6743 -1.6733 -0.7201 -0.7171 2.1371 2.1388 2.6698 2.6744 4.5881 4.5918 5.2318 5.2333 10.6647 10.6652 11.4945 11.4982 12.0681 12.0732 14.6690 14.6704 k = 0.0000 0.2396-0.0000 ( 1749 PWs) bands (ev): -17.8126 -17.8125 -13.7063 -13.7060 -10.2081 -10.2071 -8.8362 -8.8353 -5.3545 -5.3535 -5.2930 -5.2920 -2.6313 -2.6295 -1.7939 -1.7925 -1.6117 -1.6107 -0.7300 -0.7268 2.1723 2.1741 2.6550 2.6595 4.6020 4.6060 5.2729 5.2745 10.6546 10.6551 11.5458 11.5496 12.1257 12.1309 14.5973 14.5984 k = 0.0000 0.2500-0.0000 ( 1745 PWs) bands (ev): -17.7639 -17.7639 -13.7841 -13.7838 -10.2209 -10.2199 -8.8277 -8.8268 -5.4244 -5.4234 -5.2434 -5.2424 -2.6677 -2.6660 -1.7886 -1.7874 -1.5455 -1.5445 -0.7408 -0.7374 2.2057 2.2074 2.6380 2.6424 4.6197 4.6239 5.3144 5.3160 10.6458 10.6464 11.5988 11.6027 12.1754 12.1805 14.5372 14.5381 k = 0.0000 0.2604-0.0000 ( 1749 PWs) bands (ev): -17.7133 -17.7132 -13.8652 -13.8649 -10.2283 -10.2272 -8.8208 -8.8198 -5.4916 -5.4907 -5.2003 -5.1994 -2.7024 -2.7008 -1.7838 -1.7829 -1.4768 -1.4759 -0.7520 -0.7484 2.2370 2.2386 2.6190 2.6232 4.6412 4.6457 5.3557 5.3574 10.6387 10.6393 11.6535 11.6575 12.2153 12.2204 14.4902 14.4908 k = 0.0000 0.2708-0.0000 ( 1737 PWs) bands (ev): -17.6607 -17.6606 -13.9493 -13.9490 -10.2304 -10.2293 -8.8157 -8.8147 -5.5556 -5.5548 -5.1640 -5.1631 -2.7343 -2.7329 -1.7799 -1.7793 -1.4065 -1.4055 -0.7630 -0.7592 2.2661 2.2676 2.5982 2.6022 4.6665 4.6711 5.3967 5.3984 10.6335 10.6341 11.7099 11.7140 12.2442 12.2492 14.4579 14.4582 k = 0.0000 0.2812-0.0000 ( 1741 PWs) bands (ev): -17.6061 -17.6060 -14.0361 -14.0358 -10.2275 -10.2264 -8.8128 -8.8117 -5.6161 -5.6153 -5.1348 -5.1340 -2.7628 -2.7614 -1.7776 -1.7772 -1.3355 -1.3346 -0.7735 -0.7694 2.2927 2.2942 2.5759 2.5798 4.6952 4.7000 5.4368 5.4387 10.6300 10.6307 11.7679 11.7720 12.2607 12.2654 14.4411 14.4412 k = 0.0000 0.2917-0.0000 ( 1737 PWs) bands (ev): -17.5496 -17.5495 -14.1253 -14.1251 -10.2198 -10.2188 -8.8122 -8.8111 -5.6725 -5.6718 -5.1128 -5.1121 -2.7870 -2.7857 -1.7771 -1.7769 -1.2644 -1.2637 -0.7828 -0.7785 2.3169 2.3183 2.5527 2.5564 4.7273 4.7323 5.4759 5.4778 10.6286 10.6293 11.8277 11.8319 12.2642 12.2687 14.4401 14.4406 k = 0.0000 0.3021-0.0000 ( 1735 PWs) bands (ev): -17.4911 -17.4911 -14.2166 -14.2164 -10.2076 -10.2066 -8.8143 -8.8132 -5.7245 -5.7239 -5.0982 -5.0976 -2.8064 -2.8052 -1.7790 -1.7789 -1.1941 -1.1934 -0.7904 -0.7860 2.3386 2.3400 2.5288 2.5323 4.7625 4.7677 5.5135 5.5155 10.6293 10.6301 11.8890 11.8933 12.2549 12.2590 14.4550 14.4560 k = 0.0000 0.3125-0.0000 ( 1735 PWs) bands (ev): -17.4308 -17.4307 -14.3098 -14.3095 -10.1912 -10.1901 -8.8194 -8.8181 -5.7718 -5.7712 -5.0908 -5.0903 -2.8206 -2.8196 -1.7838 -1.7836 -1.1252 -1.1246 -0.7961 -0.7915 2.3577 2.3590 2.5047 2.5080 4.8006 4.8059 5.5492 5.5514 10.6324 10.6332 11.9520 11.9564 12.2334 12.2372 14.4848 14.4863 k = 0.0000 0.3229-0.0000 ( 1737 PWs) bands (ev): -17.3685 -17.3685 -14.4044 -14.4042 -10.1708 -10.1697 -8.8275 -8.8263 -5.8139 -5.8134 -5.0907 -5.0903 -2.8294 -2.8285 -1.7918 -1.7914 -1.0584 -1.0579 -0.7993 -0.7945 2.3743 2.3756 2.4808 2.4839 4.8412 4.8466 5.5828 5.5851 10.6378 10.6387 12.0164 12.0211 12.2012 12.2045 14.5283 14.5303 k = 0.0000 0.3333-0.0000 ( 1737 PWs) bands (ev): -17.3044 -17.3043 -14.5003 -14.5001 -10.1466 -10.1455 -8.8390 -8.8377 -5.8506 -5.8502 -5.0975 -5.0971 -2.8327 -2.8318 -1.8031 -1.8025 -0.9941 -0.9938 -0.7998 -0.7949 2.3883 2.3896 2.4575 2.4603 4.8841 4.8896 5.6139 5.6163 10.6458 10.6467 12.0809 12.0865 12.1613 12.1634 14.5837 14.5862 k = 0.0000 0.3438-0.0000 ( 1733 PWs) bands (ev): -17.2384 -17.2384 -14.5973 -14.5971 -10.1190 -10.1178 -8.8540 -8.8527 -5.8817 -5.8813 -5.1108 -5.1106 -2.8304 -2.8297 -1.8180 -1.8173 -0.9329 -0.9327 -0.7974 -0.7924 2.3999 2.4010 2.4353 2.4379 4.9291 4.9347 5.6423 5.6447 10.6563 10.6573 12.1013 12.1069 12.1594 12.1613 14.6493 14.6522 k = 0.0000 0.3542-0.0000 ( 1737 PWs) bands (ev): -17.1706 -17.1705 -14.6950 -14.6948 -10.0880 -10.0869 -8.8725 -8.8712 -5.9070 -5.9066 -5.1303 -5.1301 -2.8228 -2.8222 -1.8365 -1.8357 -0.8754 -0.8753 -0.7921 -0.7871 2.4090 2.4097 2.4147 2.4167 4.9756 4.9813 5.6674 5.6700 10.6694 10.6705 12.0490 12.0529 12.2260 12.2294 14.7232 14.7264 k = 0.0000 0.3646-0.0000 ( 1737 PWs) bands (ev): -17.1010 -17.1009 -14.7932 -14.7930 -10.0541 -10.0530 -8.8947 -8.8933 -5.9264 -5.9260 -5.1553 -5.1552 -2.8102 -2.8096 -1.8586 -1.8577 -0.8221 -0.8219 -0.7839 -0.7789 2.3949 2.3972 2.4158 2.4169 5.0235 5.0293 5.6892 5.6920 10.6853 10.6864 11.9886 11.9919 12.2980 12.3017 14.8038 14.8073 k = 0.0000 0.3750-0.0000 ( 1737 PWs) bands (ev): -17.0296 -17.0295 -14.8918 -14.8916 -10.0174 -10.0162 -8.9205 -8.9191 -5.9398 -5.9395 -5.1852 -5.1852 -2.7928 -2.7923 -1.8841 -1.8831 -0.7739 -0.7730 -0.7725 -0.7679 2.3778 2.3798 2.4202 2.4213 5.0724 5.0782 5.7074 5.7103 10.7040 10.7051 11.9243 11.9273 12.3725 12.3763 14.8857 14.8891 k = 0.0000 0.3854-0.0000 ( 1733 PWs) bands (ev): -16.9564 -16.9563 -14.9905 -14.9904 -9.9781 -9.9770 -8.9498 -8.9484 -5.9474 -5.9471 -5.2195 -5.2195 -2.7711 -2.7706 -1.9128 -1.9118 -0.7600 -0.7550 -0.7291 -0.7284 2.3628 2.3646 2.4225 2.4235 5.1220 5.1277 5.7219 5.7249 10.7254 10.7266 11.8575 11.8603 12.4494 12.4532 14.7786 14.7801 k = 0.0000 0.3958-0.0000 ( 1728 PWs) bands (ev): -16.8815 -16.8814 -15.0893 -15.0891 -9.9365 -9.9353 -8.9825 -8.9811 -5.9491 -5.9489 -5.2575 -5.2574 -2.7455 -2.7451 -1.9444 -1.9434 -0.7447 -0.7398 -0.6901 -0.6892 2.3503 2.3519 2.4227 2.4237 5.1719 5.1776 5.7323 5.7355 10.7497 10.7510 11.7892 11.7918 12.5287 12.5326 14.6604 14.6621 k = 0.0000 0.4062-0.0000 ( 1728 PWs) bands (ev): -16.8049 -16.8048 -15.1878 -15.1876 -9.8928 -9.8916 -9.0184 -9.0170 -5.9453 -5.9450 -5.2984 -5.2982 -2.7163 -2.7159 -1.9788 -1.9778 -0.7278 -0.7230 -0.6563 -0.6552 2.3404 2.3417 2.4210 2.4220 5.2217 5.2274 5.7387 5.7420 10.7769 10.7782 11.7203 11.7228 12.6103 12.6142 14.5378 14.5397 k = 0.0000 0.4167-0.0000 ( 1728 PWs) bands (ev): -16.7266 -16.7265 -15.2860 -15.2858 -9.8472 -9.8460 -9.0573 -9.0559 -5.9361 -5.9358 -5.3417 -5.3415 -2.6841 -2.6837 -2.0155 -2.0146 -0.7097 -0.7050 -0.6279 -0.6265 2.3330 2.3342 2.4176 2.4185 5.2710 5.2767 5.7408 5.7443 10.8070 10.8083 11.6514 11.6538 12.6945 12.6983 14.4134 14.4154 k = 0.0000 0.4271-0.0000 ( 1728 PWs) bands (ev): -16.6467 -16.6466 -15.3837 -15.3835 -9.7999 -9.7987 -9.0989 -9.0975 -5.9217 -5.9215 -5.3867 -5.3865 -2.6491 -2.6487 -2.0542 -2.0534 -0.6908 -0.6862 -0.6047 -0.6031 2.3283 2.3292 2.4126 2.4134 5.3196 5.3252 5.7387 5.7424 10.8399 10.8413 11.5831 11.5853 12.7812 12.7849 14.2889 14.2910 k = 0.0000 0.4375-0.0000 ( 1730 PWs) bands (ev): -16.5651 -16.5650 -15.4808 -15.4806 -9.7511 -9.7499 -9.1430 -9.1416 -5.9025 -5.9023 -5.4329 -5.4327 -2.6118 -2.6114 -2.0947 -2.0939 -0.6716 -0.6672 -0.5868 -0.5849 2.3261 2.3268 2.4062 2.4070 5.3670 5.3725 5.7323 5.7362 10.8757 10.8772 11.5158 11.5179 12.8706 12.8743 14.1651 14.1675 k = 0.0000 0.4479-0.0000 ( 1730 PWs) bands (ev): -16.4821 -16.4820 -15.5772 -15.5770 -9.7012 -9.6999 -9.1892 -9.1878 -5.8788 -5.8786 -5.4798 -5.4795 -2.5725 -2.5721 -2.1366 -2.1358 -0.6526 -0.6483 -0.5740 -0.5718 2.3263 2.3268 2.3987 2.3994 5.4129 5.4184 5.7217 5.7257 10.9145 10.9160 11.4499 11.4520 12.9627 12.9664 14.0429 14.0454 k = 0.0000 0.4583-0.0000 ( 1732 PWs) bands (ev): -16.3975 -16.3974 -15.6727 -15.6726 -9.6502 -9.6489 -9.2372 -9.2359 -5.8510 -5.8508 -5.5268 -5.5265 -2.5316 -2.5312 -2.1796 -2.1789 -0.6341 -0.6301 -0.5661 -0.5637 2.3287 2.3290 2.3904 2.3911 5.4570 5.4624 5.7069 5.7111 10.9561 10.9577 11.3857 11.3877 13.0577 13.0613 13.9227 13.9253 k = 0.0000 0.4688-0.0000 ( 1730 PWs) bands (ev): -16.3114 -16.3113 -15.7674 -15.7673 -9.5985 -9.5972 -9.2868 -9.2854 -5.8195 -5.8192 -5.5733 -5.5731 -2.4893 -2.4889 -2.2235 -2.2228 -0.6168 -0.6129 -0.5626 -0.5600 2.3330 2.3331 2.3815 2.3821 5.4989 5.5042 5.6880 5.6924 11.0006 11.0022 11.3235 11.3255 13.1557 13.1592 13.8047 13.8075 k = 0.0000 0.4792-0.0000 ( 1734 PWs) bands (ev): -16.2239 -16.2238 -15.8610 -15.8609 -9.5462 -9.5450 -9.3375 -9.3361 -5.7845 -5.7843 -5.6190 -5.6188 -2.4460 -2.4456 -2.2679 -2.2673 -0.6011 -0.5974 -0.5635 -0.5607 2.3389 2.3389 2.3723 2.3727 5.5383 5.5434 5.6651 5.6696 11.0478 11.0495 11.2634 11.2653 13.2565 13.2599 13.6894 13.6923 k = 0.0000 0.4896-0.0000 ( 1734 PWs) bands (ev): -16.1351 -16.1350 -15.9536 -15.9535 -9.4938 -9.4925 -9.3891 -9.3878 -5.7466 -5.7463 -5.6634 -5.6632 -2.4020 -2.4015 -2.3127 -2.3121 -0.5875 -0.5840 -0.5682 -0.5652 2.3461 2.3462 2.3631 2.3634 5.5749 5.5799 5.6385 5.6432 11.0978 11.0995 11.2057 11.2076 13.3603 13.3636 13.5768 13.5798 k = 0.0000 0.5000-0.0000 ( 1730 PWs) bands (ev): -16.0450 -16.0450 -16.0449 -16.0449 -9.4413 -9.4413 -9.4400 -9.4400 -5.7061 -5.7061 -5.7058 -5.7058 -2.3574 -2.3574 -2.3569 -2.3569 -0.5763 -0.5763 -0.5730 -0.5730 2.3543 2.3543 2.3545 2.3545 5.6085 5.6085 5.6133 5.6133 11.1505 11.1505 11.1523 11.1523 13.4671 13.4671 13.4702 13.4702 k = 0.0000 0.5000-0.0000 ( 1730 PWs) bands (ev): -16.0450 -16.0450 -16.0449 -16.0449 -9.4413 -9.4413 -9.4400 -9.4400 -5.7061 -5.7061 -5.7058 -5.7058 -2.3574 -2.3574 -2.3569 -2.3569 -0.5763 -0.5763 -0.5730 -0.5730 2.3543 2.3543 2.3545 2.3545 5.6085 5.6085 5.6133 5.6133 11.1505 11.1505 11.1523 11.1523 13.4671 13.4671 13.4702 13.4702 k = 0.0104 0.5000-0.0000 ( 1730 PWs) bands (ev): -16.0440 -16.0440 -16.0439 -16.0439 -9.4444 -9.4444 -9.4431 -9.4431 -5.7069 -5.7069 -5.7067 -5.7067 -2.3526 -2.3526 -2.3520 -2.3520 -0.5780 -0.5780 -0.5747 -0.5747 2.3550 2.3550 2.3552 2.3552 5.6083 5.6083 5.6131 5.6131 11.1529 11.1529 11.1547 11.1547 13.4675 13.4675 13.4706 13.4706 k = 0.0208 0.5000-0.0000 ( 1730 PWs) bands (ev): -16.0411 -16.0411 -16.0410 -16.0410 -9.4539 -9.4539 -9.4526 -9.4526 -5.7095 -5.7095 -5.7092 -5.7092 -2.3382 -2.3382 -2.3376 -2.3376 -0.5831 -0.5831 -0.5798 -0.5798 2.3570 2.3570 2.3573 2.3573 5.6078 5.6078 5.6126 5.6126 11.1603 11.1603 11.1621 11.1621 13.4687 13.4687 13.4718 13.4718 k = 0.0312 0.5000-0.0000 ( 1734 PWs) bands (ev): -16.0362 -16.0362 -16.0361 -16.0361 -9.4697 -9.4697 -9.4684 -9.4684 -5.7136 -5.7136 -5.7133 -5.7133 -2.3145 -2.3145 -2.3139 -2.3139 -0.5914 -0.5914 -0.5881 -0.5881 2.3604 2.3604 2.3607 2.3607 5.6071 5.6071 5.6119 5.6119 11.1724 11.1724 11.1742 11.1742 13.4706 13.4706 13.4736 13.4736 k = 0.0417 0.5000-0.0000 ( 1734 PWs) bands (ev): -16.0294 -16.0294 -16.0293 -16.0293 -9.4916 -9.4916 -9.4903 -9.4903 -5.7189 -5.7189 -5.7187 -5.7187 -2.2820 -2.2820 -2.2814 -2.2814 -0.6028 -0.6028 -0.5995 -0.5995 2.3652 2.3652 2.3655 2.3655 5.6061 5.6061 5.6109 5.6109 11.1892 11.1892 11.1911 11.1911 13.4735 13.4735 13.4765 13.4765 k = 0.0521 0.5000-0.0000 ( 1742 PWs) bands (ev): -16.0207 -16.0207 -16.0205 -16.0205 -9.5197 -9.5197 -9.5184 -9.5184 -5.7253 -5.7253 -5.7250 -5.7250 -2.2415 -2.2415 -2.2408 -2.2408 -0.6171 -0.6171 -0.6137 -0.6137 2.3712 2.3712 2.3716 2.3716 5.6049 5.6049 5.6096 5.6096 11.2106 11.2106 11.2125 11.2125 13.4772 13.4772 13.4801 13.4801 k = 0.0625 0.5000-0.0000 ( 1742 PWs) bands (ev): -16.0100 -16.0100 -16.0099 -16.0099 -9.5537 -9.5537 -9.5524 -9.5524 -5.7322 -5.7322 -5.7319 -5.7319 -2.1936 -2.1936 -2.1929 -2.1929 -0.6336 -0.6336 -0.6302 -0.6302 2.3785 2.3785 2.3789 2.3789 5.6035 5.6035 5.6082 5.6082 11.2362 11.2362 11.2382 11.2382 13.4822 13.4822 13.4850 13.4850 k = 0.0729 0.5000-0.0000 ( 1742 PWs) bands (ev): -15.9974 -15.9974 -15.9973 -15.9973 -9.5935 -9.5935 -9.5923 -9.5923 -5.7392 -5.7392 -5.7390 -5.7390 -2.1395 -2.1395 -2.1387 -2.1387 -0.6519 -0.6519 -0.6485 -0.6485 2.3871 2.3871 2.3876 2.3876 5.6019 5.6019 5.6065 5.6065 11.2660 11.2660 11.2680 11.2680 13.4884 13.4884 13.4911 13.4911 k = 0.0833 0.5000-0.0000 ( 1738 PWs) bands (ev): -15.9829 -15.9829 -15.9827 -15.9827 -9.6390 -9.6390 -9.6377 -9.6377 -5.7460 -5.7460 -5.7458 -5.7458 -2.0803 -2.0803 -2.0795 -2.0795 -0.6714 -0.6714 -0.6679 -0.6679 2.3968 2.3968 2.3974 2.3974 5.6003 5.6003 5.6048 5.6048 11.2995 11.2995 11.3016 11.3016 13.4961 13.4961 13.4987 13.4987 k = 0.0938 0.5000-0.0000 ( 1730 PWs) bands (ev): -15.9664 -15.9664 -15.9663 -15.9663 -9.6899 -9.6899 -9.6886 -9.6886 -5.7521 -5.7521 -5.7519 -5.7519 -2.0176 -2.0176 -2.0167 -2.0167 -0.6910 -0.6910 -0.6874 -0.6874 2.4077 2.4077 2.4083 2.4083 5.5986 5.5986 5.6030 5.6030 11.3364 11.3364 11.3387 11.3387 13.5054 13.5054 13.5079 13.5079 k = 0.1042 0.5000-0.0000 ( 1730 PWs) bands (ev): -15.9481 -15.9481 -15.9479 -15.9479 -9.7460 -9.7460 -9.7447 -9.7447 -5.7573 -5.7573 -5.7571 -5.7571 -1.9533 -1.9533 -1.9522 -1.9522 -0.7095 -0.7095 -0.7059 -0.7059 2.4197 2.4197 2.4203 2.4203 5.5968 5.5968 5.6012 5.6012 11.3764 11.3764 11.3787 11.3787 13.5165 13.5165 13.5188 13.5188 k = 0.1146 0.5000-0.0000 ( 1734 PWs) bands (ev): -15.9278 -15.9278 -15.9277 -15.9277 -9.8070 -9.8070 -9.8058 -9.8058 -5.7611 -5.7611 -5.7609 -5.7609 -1.8894 -1.8894 -1.8882 -1.8882 -0.7254 -0.7254 -0.7217 -0.7217 2.4326 2.4326 2.4333 2.4333 5.5950 5.5950 5.5993 5.5993 11.4189 11.4189 11.4213 11.4213 13.5296 13.5296 13.5318 13.5318 k = 0.1250 0.5000-0.0000 ( 1728 PWs) bands (ev): -15.9057 -15.9057 -15.9056 -15.9056 -9.8726 -9.8726 -9.8715 -9.8715 -5.7632 -5.7632 -5.7630 -5.7630 -1.8286 -1.8286 -1.8272 -1.8272 -0.7363 -0.7363 -0.7325 -0.7325 2.4466 2.4466 2.4472 2.4472 5.5933 5.5933 5.5976 5.5976 11.4638 11.4638 11.4663 11.4663 13.5452 13.5452 13.5472 13.5472 k = 0.1354 0.5000-0.0000 ( 1728 PWs) bands (ev): -15.8818 -15.8818 -15.8816 -15.8816 -9.9427 -9.9427 -9.9415 -9.9415 -5.7635 -5.7635 -5.7633 -5.7633 -1.7739 -1.7739 -1.7724 -1.7724 -0.7397 -0.7397 -0.7359 -0.7359 2.4614 2.4614 2.4621 2.4621 5.5917 5.5917 5.5959 5.5959 11.5103 11.5103 11.5129 11.5129 13.5634 13.5634 13.5651 13.5651 k = 0.1458 0.5000-0.0000 ( 1732 PWs) bands (ev): -15.8560 -15.8560 -15.8558 -15.8558 -10.0167 -10.0167 -10.0156 -10.0156 -5.7617 -5.7617 -5.7615 -5.7615 -1.7287 -1.7287 -1.7271 -1.7271 -0.7328 -0.7328 -0.7289 -0.7289 2.4771 2.4771 2.4778 2.4778 5.5902 5.5902 5.5943 5.5943 11.5581 11.5581 11.5608 11.5608 13.5845 13.5845 13.5860 13.5860 k = 0.1562 0.5000-0.0000 ( 1732 PWs) bands (ev): -15.8283 -15.8283 -15.8282 -15.8282 -10.0946 -10.0946 -10.0935 -10.0935 -5.7576 -5.7576 -5.7574 -5.7574 -1.6961 -1.6961 -1.6944 -1.6944 -0.7126 -0.7126 -0.7089 -0.7089 2.4935 2.4935 2.4943 2.4943 5.5889 5.5889 5.5929 5.5929 11.6068 11.6068 11.6096 11.6096 13.6087 13.6087 13.6100 13.6100 k = 0.1667 0.5000-0.0000 ( 1734 PWs) bands (ev): -15.7989 -15.7989 -15.7987 -15.7987 -10.1758 -10.1758 -10.1747 -10.1747 -5.7512 -5.7512 -5.7510 -5.7510 -1.6783 -1.6783 -1.6766 -1.6766 -0.6775 -0.6775 -0.6739 -0.6739 2.5108 2.5108 2.5116 2.5116 5.5878 5.5878 5.5917 5.5917 11.6558 11.6558 11.6587 11.6587 13.6364 13.6364 13.6374 13.6374 k = 0.1771 0.5000-0.0000 ( 1734 PWs) bands (ev): -15.7676 -15.7676 -15.7675 -15.7675 -10.2601 -10.2601 -10.2591 -10.2591 -5.7424 -5.7424 -5.7422 -5.7422 -1.6760 -1.6760 -1.6744 -1.6744 -0.6272 -0.6272 -0.6237 -0.6237 2.5287 2.5287 2.5295 2.5295 5.5869 5.5869 5.5907 5.5907 11.7048 11.7048 11.7077 11.7077 13.6679 13.6679 13.6686 13.6686 k = 0.1875 0.5000-0.0000 ( 1734 PWs) bands (ev): -15.7346 -15.7346 -15.7345 -15.7345 -10.3472 -10.3472 -10.3462 -10.3462 -5.7311 -5.7311 -5.7309 -5.7309 -1.6884 -1.6884 -1.6868 -1.6868 -0.5626 -0.5626 -0.5594 -0.5594 2.5473 2.5473 2.5481 2.5481 5.5862 5.5862 5.5899 5.5899 11.7533 11.7533 11.7563 11.7563 13.7031 13.7031 13.7036 13.7036 k = 0.1979 0.5000-0.0000 ( 1730 PWs) bands (ev): -15.6999 -15.6999 -15.6997 -15.6997 -10.4367 -10.4367 -10.4357 -10.4357 -5.7173 -5.7173 -5.7170 -5.7170 -1.7136 -1.7136 -1.7120 -1.7120 -0.4862 -0.4862 -0.4831 -0.4831 2.5665 2.5665 2.5673 2.5673 5.5857 5.5857 5.5893 5.5893 11.8011 11.8011 11.8042 11.8042 13.7424 13.7424 13.7428 13.7428 k = 0.2083 0.5000-0.0000 ( 1724 PWs) bands (ev): -15.6635 -15.6635 -15.6633 -15.6633 -10.5284 -10.5284 -10.5275 -10.5275 -5.7010 -5.7010 -5.7008 -5.7008 -1.7494 -1.7494 -1.7479 -1.7479 -0.4003 -0.4003 -0.3974 -0.3974 2.5863 2.5863 2.5872 2.5872 5.5855 5.5855 5.5891 5.5891 11.8478 11.8478 11.8510 11.8510 13.7856 13.7856 13.7861 13.7861 k = 0.2188 0.5000-0.0000 ( 1728 PWs) bands (ev): -15.6254 -15.6254 -15.6253 -15.6253 -10.6219 -10.6219 -10.6210 -10.6210 -5.6823 -5.6823 -5.6821 -5.6821 -1.7938 -1.7938 -1.7923 -1.7923 -0.3073 -0.3073 -0.3047 -0.3047 2.6066 2.6066 2.6075 2.6075 5.5854 5.5854 5.5889 5.5889 11.8932 11.8932 11.8964 11.8964 13.8326 13.8326 13.8335 13.8335 k = 0.2292 0.5000-0.0000 ( 1728 PWs) bands (ev): -15.5858 -15.5858 -15.5856 -15.5856 -10.7170 -10.7170 -10.7161 -10.7161 -5.6613 -5.6613 -5.6610 -5.6610 -1.8449 -1.8449 -1.8435 -1.8435 -0.2094 -0.2094 -0.2068 -0.2068 2.6274 2.6274 2.6283 2.6283 5.5855 5.5855 5.5889 5.5889 11.9372 11.9372 11.9404 11.9404 13.8835 13.8835 13.8847 13.8847 k = 0.2396 0.5000-0.0000 ( 1728 PWs) bands (ev): -15.5445 -15.5445 -15.5443 -15.5443 -10.8132 -10.8132 -10.8124 -10.8124 -5.6379 -5.6379 -5.6376 -5.6376 -1.9014 -1.9014 -1.9000 -1.9000 -0.1080 -0.1080 -0.1056 -0.1056 2.6487 2.6487 2.6495 2.6495 5.5858 5.5858 5.5891 5.5891 11.9798 11.9798 11.9830 11.9830 13.9379 13.9379 13.9395 13.9395 k = 0.2500 0.5000-0.0000 ( 1728 PWs) bands (ev): -15.5018 -15.5018 -15.5015 -15.5015 -10.9105 -10.9105 -10.9096 -10.9096 -5.6123 -5.6123 -5.6120 -5.6120 -1.9621 -1.9621 -1.9607 -1.9607 -0.0046 -0.0046 -0.0024 -0.0024 2.6704 2.6704 2.6712 2.6712 5.5862 5.5862 5.5894 5.5894 12.0209 12.0209 12.0242 12.0242 13.9956 13.9956 13.9976 13.9976 k = 0.2604 0.5000-0.0000 ( 1732 PWs) bands (ev): -15.4575 -15.4575 -15.4573 -15.4573 -11.0084 -11.0084 -11.0075 -11.0075 -5.5845 -5.5845 -5.5842 -5.5842 -2.0262 -2.0262 -2.0248 -2.0248 0.0996 0.0996 0.1018 0.1018 2.6924 2.6924 2.6933 2.6933 5.5868 5.5868 5.5899 5.5899 12.0608 12.0608 12.0641 12.0641 14.0558 14.0558 14.0582 14.0582 k = 0.2708 0.5000-0.0000 ( 1736 PWs) bands (ev): -15.4119 -15.4119 -15.4117 -15.4117 -11.1066 -11.1066 -11.1058 -11.1058 -5.5548 -5.5548 -5.5544 -5.5544 -2.0928 -2.0928 -2.0915 -2.0915 0.2038 0.2038 0.2058 0.2058 2.7148 2.7148 2.7157 2.7157 5.5873 5.5873 5.5903 5.5903 12.0996 12.0996 12.1028 12.1028 14.1180 14.1180 14.1207 14.1207 k = 0.2812 0.5000-0.0000 ( 1736 PWs) bands (ev): -15.3650 -15.3650 -15.3648 -15.3648 -11.2050 -11.2050 -11.2042 -11.2042 -5.5230 -5.5230 -5.5227 -5.5227 -2.1615 -2.1615 -2.1602 -2.1602 0.3072 0.3072 0.3091 0.3091 2.7376 2.7376 2.7385 2.7385 5.5880 5.5880 5.5909 5.5909 12.1374 12.1374 12.1407 12.1407 14.1812 14.1812 14.1843 14.1843 k = 0.2917 0.5000-0.0000 ( 1732 PWs) bands (ev): -15.3169 -15.3169 -15.3167 -15.3167 -11.3033 -11.3033 -11.3025 -11.3025 -5.4895 -5.4895 -5.4891 -5.4891 -2.2316 -2.2316 -2.2303 -2.2303 0.4090 0.4090 0.4109 0.4109 2.7607 2.7607 2.7616 2.7616 5.5887 5.5887 5.5915 5.5915 12.1746 12.1746 12.1779 12.1779 14.2445 14.2445 14.2480 14.2480 k = 0.3021 0.5000-0.0000 ( 1732 PWs) bands (ev): -15.2676 -15.2676 -15.2674 -15.2674 -11.4011 -11.4011 -11.4003 -11.4003 -5.4543 -5.4543 -5.4539 -5.4539 -2.3028 -2.3028 -2.3015 -2.3015 0.5087 0.5087 0.5104 0.5104 2.7840 2.7840 2.7849 2.7849 5.5894 5.5894 5.5921 5.5921 12.2115 12.2115 12.2147 12.2147 14.3064 14.3064 14.3103 14.3103 k = 0.3125 0.5000-0.0000 ( 1732 PWs) bands (ev): -15.2174 -15.2174 -15.2172 -15.2172 -11.4982 -11.4982 -11.4975 -11.4975 -5.4176 -5.4176 -5.4172 -5.4172 -2.3746 -2.3746 -2.3734 -2.3734 0.6056 0.6056 0.6073 0.6073 2.8075 2.8075 2.8084 2.8084 5.5900 5.5900 5.5926 5.5926 12.2482 12.2482 12.2514 12.2514 14.3656 14.3656 14.3699 14.3699 k = 0.3229 0.5000-0.0000 ( 1736 PWs) bands (ev): -15.1663 -15.1663 -15.1661 -15.1661 -11.5944 -11.5944 -11.5937 -11.5937 -5.3795 -5.3795 -5.3791 -5.3791 -2.4467 -2.4467 -2.4455 -2.4455 0.6993 0.6993 0.7009 0.7009 2.8311 2.8311 2.8320 2.8320 5.5905 5.5905 5.5930 5.5930 12.2850 12.2850 12.2882 12.2882 14.4203 14.4203 14.4248 14.4248 k = 0.3333 0.5000-0.0000 ( 1736 PWs) bands (ev): -15.1145 -15.1145 -15.1142 -15.1142 -11.6893 -11.6893 -11.6887 -11.6887 -5.3403 -5.3403 -5.3399 -5.3399 -2.5187 -2.5187 -2.5175 -2.5175 0.7894 0.7894 0.7909 0.7909 2.8548 2.8548 2.8556 2.8556 5.5909 5.5909 5.5933 5.5933 12.3223 12.3223 12.3253 12.3253 14.4684 14.4684 14.4730 14.4730 k = 0.3438 0.5000-0.0000 ( 1738 PWs) bands (ev): -15.0622 -15.0622 -15.0619 -15.0619 -11.7827 -11.7827 -11.7820 -11.7820 -5.3001 -5.3001 -5.2997 -5.2997 -2.5902 -2.5902 -2.5891 -2.5891 0.8754 0.8754 0.8768 0.8768 2.8784 2.8784 2.8793 2.8793 5.5912 5.5912 5.5935 5.5935 12.3600 12.3600 12.3630 12.3630 14.5077 14.5077 14.5124 14.5124 k = 0.3542 0.5000-0.0000 ( 1738 PWs) bands (ev): -15.0095 -15.0095 -15.0093 -15.0093 -11.8742 -11.8742 -11.8735 -11.8735 -5.2592 -5.2592 -5.2588 -5.2588 -2.6609 -2.6609 -2.6598 -2.6598 0.9570 0.9570 0.9583 0.9583 2.9018 2.9018 2.9027 2.9027 5.5913 5.5913 5.5936 5.5936 12.3984 12.3984 12.4013 12.4013 14.5364 14.5364 14.5409 14.5409 k = 0.3646 0.5000-0.0000 ( 1738 PWs) bands (ev): -14.9569 -14.9569 -14.9566 -14.9566 -11.9634 -11.9634 -11.9628 -11.9628 -5.2178 -5.2178 -5.2173 -5.2173 -2.7305 -2.7305 -2.7294 -2.7294 1.0339 1.0339 1.0351 1.0351 2.9250 2.9250 2.9259 2.9259 5.5913 5.5913 5.5934 5.5934 12.4375 12.4375 12.4403 12.4403 14.5530 14.5530 14.5572 14.5572 k = 0.3750 0.5000-0.0000 ( 1734 PWs) bands (ev): -14.9045 -14.9045 -14.9042 -14.9042 -12.0500 -12.0500 -12.0494 -12.0494 -5.1762 -5.1762 -5.1757 -5.1757 -2.7984 -2.7984 -2.7973 -2.7973 1.1057 1.1057 1.1069 1.1069 2.9478 2.9478 2.9486 2.9486 5.5912 5.5912 5.5932 5.5932 12.4774 12.4774 12.4801 12.4801 14.5573 14.5573 14.5609 14.5609 k = 0.3854 0.5000-0.0000 ( 1730 PWs) bands (ev): -14.8526 -14.8526 -14.8524 -14.8524 -12.1335 -12.1335 -12.1330 -12.1330 -5.1347 -5.1347 -5.1343 -5.1343 -2.8643 -2.8643 -2.8633 -2.8633 1.1724 1.1724 1.1735 1.1735 2.9699 2.9699 2.9708 2.9708 5.5909 5.5909 5.5927 5.5927 12.5178 12.5178 12.5205 12.5205 14.5498 14.5498 14.5528 14.5528 k = 0.3958 0.5000-0.0000 ( 1724 PWs) bands (ev): -14.8019 -14.8019 -14.8016 -14.8016 -12.2135 -12.2135 -12.2130 -12.2130 -5.0938 -5.0938 -5.0934 -5.0934 -2.9278 -2.9278 -2.9268 -2.9268 1.2336 1.2336 1.2346 1.2346 2.9913 2.9913 2.9921 2.9921 5.5905 5.5905 5.5922 5.5922 12.5587 12.5587 12.5612 12.5612 14.5322 14.5322 14.5348 14.5348 k = 0.4062 0.5000-0.0000 ( 1724 PWs) bands (ev): -14.7526 -14.7526 -14.7524 -14.7524 -12.2894 -12.2894 -12.2889 -12.2889 -5.0540 -5.0540 -5.0535 -5.0535 -2.9883 -2.9883 -2.9874 -2.9874 1.2892 1.2892 1.2902 1.2902 3.0116 3.0116 3.0123 3.0123 5.5899 5.5899 5.5915 5.5915 12.5996 12.5996 12.6020 12.6020 14.5068 14.5068 14.5089 14.5089 k = 0.4167 0.5000-0.0000 ( 1722 PWs) bands (ev): -14.7054 -14.7054 -14.7051 -14.7051 -12.3605 -12.3605 -12.3601 -12.3601 -5.0156 -5.0156 -5.0152 -5.0152 -3.0453 -3.0453 -3.0445 -3.0445 1.3391 1.3391 1.3400 1.3400 3.0307 3.0307 3.0314 3.0314 5.5893 5.5893 5.5908 5.5908 12.6401 12.6401 12.6423 12.6423 14.4758 14.4758 14.4775 14.4775 k = 0.4271 0.5000-0.0000 ( 1718 PWs) bands (ev): -14.6609 -14.6609 -14.6607 -14.6607 -12.4263 -12.4263 -12.4259 -12.4259 -4.9792 -4.9792 -4.9788 -4.9788 -3.0981 -3.0981 -3.0974 -3.0974 1.3832 1.3832 1.3840 1.3840 3.0483 3.0483 3.0489 3.0489 5.5887 5.5887 5.5900 5.5900 12.6794 12.6794 12.6815 12.6815 14.4415 14.4415 14.4427 14.4427 k = 0.4375 0.5000-0.0000 ( 1712 PWs) bands (ev): -14.6198 -14.6198 -14.6196 -14.6196 -12.4858 -12.4858 -12.4855 -12.4855 -4.9456 -4.9456 -4.9452 -4.9452 -3.1461 -3.1461 -3.1454 -3.1454 1.4216 1.4216 1.4222 1.4222 3.0642 3.0642 3.0647 3.0647 5.5881 5.5881 5.5892 5.5892 12.7170 12.7170 12.7188 12.7188 14.4059 14.4059 14.4068 14.4068 k = 0.4479 0.5000-0.0000 ( 1708 PWs) bands (ev): -14.5830 -14.5830 -14.5828 -14.5828 -12.5383 -12.5383 -12.5380 -12.5380 -4.9153 -4.9153 -4.9150 -4.9150 -3.1885 -3.1885 -3.1879 -3.1879 1.4539 1.4539 1.4545 1.4545 3.0780 3.0780 3.0785 3.0785 5.5874 5.5874 5.5884 5.5884 12.7517 12.7517 12.7533 12.7533 14.3710 14.3710 14.3718 14.3718 k = 0.4583 0.5000-0.0000 ( 1708 PWs) bands (ev): -14.5512 -14.5512 -14.5511 -14.5511 -12.5829 -12.5829 -12.5827 -12.5827 -4.8892 -4.8892 -4.8890 -4.8890 -3.2246 -3.2246 -3.2241 -3.2241 1.4804 1.4804 1.4808 1.4808 3.0897 3.0897 3.0901 3.0901 5.5869 5.5869 5.5876 5.5876 12.7825 12.7825 12.7838 12.7838 14.3390 14.3390 14.3395 14.3395 k = 0.4688 0.5000-0.0000 ( 1704 PWs) bands (ev): -14.5254 -14.5254 -14.5253 -14.5253 -12.6188 -12.6188 -12.6186 -12.6186 -4.8680 -4.8680 -4.8678 -4.8678 -3.2536 -3.2536 -3.2533 -3.2533 1.5010 1.5010 1.5014 1.5014 3.0991 3.0991 3.0994 3.0994 5.5864 5.5864 5.5870 5.5870 12.8081 12.8081 12.8092 12.8092 14.3117 14.3117 14.3120 14.3120 k = 0.4792 0.5000-0.0000 ( 1708 PWs) bands (ev): -14.5063 -14.5063 -14.5062 -14.5062 -12.6450 -12.6450 -12.6449 -12.6449 -4.8522 -4.8522 -4.8521 -4.8521 -3.2750 -3.2750 -3.2747 -3.2747 1.5157 1.5157 1.5160 1.5160 3.1058 3.1058 3.1060 3.1060 5.5861 5.5861 5.5865 5.5865 12.8276 12.8276 12.8282 12.8282 14.2907 14.2907 14.2909 14.2909 k = 0.4896 0.5000-0.0000 ( 1708 PWs) bands (ev): -14.4946 -14.4946 -14.4945 -14.4945 -12.6611 -12.6611 -12.6610 -12.6610 -4.8425 -4.8425 -4.8424 -4.8424 -3.2879 -3.2879 -3.2878 -3.2878 1.5246 1.5246 1.5247 1.5247 3.1100 3.1100 3.1101 3.1101 5.5859 5.5859 5.5861 5.5861 12.8397 12.8397 12.8401 12.8401 14.2776 14.2776 14.2777 14.2777 k = 0.5000 0.5000-0.0000 ( 1716 PWs) bands (ev): -14.4906 -14.4906 -14.4906 -14.4906 -12.6665 -12.6665 -12.6665 -12.6665 -4.8392 -4.8392 -4.8392 -4.8392 -3.2923 -3.2923 -3.2923 -3.2923 1.5276 1.5276 1.5276 1.5276 3.1113 3.1113 3.1113 3.1113 5.5859 5.5859 5.5859 5.5859 12.8440 12.8440 12.8440 12.8440 14.2730 14.2730 14.2730 14.2730 k = 0.5000 0.5000-0.0000 ( 1716 PWs) bands (ev): -14.4906 -14.4906 -14.4906 -14.4906 -12.6665 -12.6665 -12.6665 -12.6665 -4.8392 -4.8392 -4.8392 -4.8392 -3.2923 -3.2923 -3.2923 -3.2923 1.5276 1.5276 1.5276 1.5276 3.1113 3.1113 3.1113 3.1113 5.5859 5.5859 5.5859 5.5859 12.8440 12.8440 12.8440 12.8440 14.2730 14.2730 14.2730 14.2730 k = 0.4926 0.4926-0.0000 ( 1706 PWs) bands (ev): -14.4991 -14.4991 -14.4899 -14.4899 -12.6655 -12.6654 -12.6567 -12.6567 -4.8464 -4.8464 -4.8385 -4.8385 -3.2918 -3.2917 -3.2841 -3.2841 1.5231 1.5232 1.5262 1.5262 3.1087 3.1088 3.1113 3.1114 5.5856 5.5856 5.5864 5.5866 12.8331 12.8335 12.8467 12.8467 14.2720 14.2721 14.2830 14.2831 k = 0.4853 0.4853-0.0000 ( 1706 PWs) bands (ev): -14.5243 -14.5243 -14.4878 -14.4878 -12.6625 -12.6624 -12.6280 -12.6280 -4.8676 -4.8675 -4.8364 -4.8363 -3.2902 -3.2900 -3.2600 -3.2600 1.5097 1.5099 1.5220 1.5221 3.1006 3.1009 3.1111 3.1112 5.5844 5.5844 5.5879 5.5884 12.8018 12.8025 12.8546 12.8547 14.2688 14.2689 14.3114 14.3117 k = 0.4779 0.4779-0.0000 ( 1706 PWs) bands (ev): -14.5646 -14.5645 -14.4844 -14.4843 -12.6575 -12.6574 -12.5818 -12.5818 -4.9014 -4.9013 -4.8328 -4.8327 -3.2875 -3.2873 -3.2212 -3.2212 1.4875 1.4877 1.5151 1.5153 3.0873 3.0877 3.1108 3.1109 5.5824 5.5824 5.5905 5.5913 12.7533 12.7543 12.8678 12.8679 14.2635 14.2637 14.3541 14.3546 k = 0.4706 0.4706-0.0000 ( 1710 PWs) bands (ev): -14.6179 -14.6179 -14.4795 -14.4795 -12.6505 -12.6504 -12.5203 -12.5202 -4.9460 -4.9459 -4.8278 -4.8277 -3.2838 -3.2835 -3.1697 -3.1697 1.4565 1.4569 1.5056 1.5058 3.0689 3.0694 3.1102 3.1104 5.5794 5.5794 5.5941 5.5951 12.6912 12.6925 12.8860 12.8862 14.2562 14.2565 14.4053 14.4062 k = 0.4632 0.4632-0.0000 ( 1710 PWs) bands (ev): -14.6820 -14.6819 -14.4733 -14.4733 -12.6415 -12.6414 -12.4457 -12.4456 -4.9995 -4.9994 -4.8214 -4.8213 -3.2789 -3.2786 -3.1074 -3.1074 1.4172 1.4177 1.4933 1.4936 3.0455 3.0462 3.1095 3.1098 5.5752 5.5753 5.5986 5.5999 12.6197 12.6211 12.9091 12.9093 14.2472 14.2475 14.4587 14.4599 k = 0.4559 0.4559-0.0000 ( 1716 PWs) bands (ev): -14.7547 -14.7546 -14.4657 -14.4657 -12.6305 -12.6304 -12.3602 -12.3601 -5.0600 -5.0599 -4.8136 -4.8135 -3.2731 -3.2727 -3.0363 -3.0363 1.3696 1.3701 1.4785 1.4789 3.0175 3.0182 3.1086 3.1089 5.5698 5.5699 5.6040 5.6056 12.5418 12.5434 12.9367 12.9370 14.2363 14.2367 14.5077 14.5093 k = 0.4485 0.4485-0.0000 ( 1714 PWs) bands (ev): -14.8341 -14.8340 -14.4568 -14.4567 -12.6175 -12.6174 -12.2658 -12.2657 -5.1257 -5.1256 -4.8045 -4.8043 -3.2661 -3.2657 -2.9580 -2.9580 1.3140 1.3146 1.4611 1.4615 2.9851 2.9859 3.1073 3.1077 5.5630 5.5631 5.6103 5.6120 12.4604 12.4621 12.9687 12.9690 14.2240 14.2244 14.5470 14.5487 k = 0.4412 0.4412-0.0000 ( 1714 PWs) bands (ev): -14.9186 -14.9185 -14.4465 -14.4464 -12.6025 -12.6024 -12.1641 -12.1640 -5.1952 -5.1951 -4.7939 -4.7938 -3.2582 -3.2577 -2.8741 -2.8740 1.2508 1.2515 1.4412 1.4417 2.9486 2.9495 3.1058 3.1062 5.5544 5.5547 5.6171 5.6191 12.3774 12.3792 13.0044 13.0048 14.2103 14.2108 14.5730 14.5747 k = 0.4338 0.4338-0.0000 ( 1720 PWs) bands (ev): -15.0069 -15.0068 -14.4349 -14.4348 -12.5855 -12.5854 -12.0565 -12.0564 -5.2674 -5.2673 -4.7821 -4.7819 -3.2492 -3.2486 -2.7858 -2.7857 1.1802 1.1810 1.4190 1.4196 2.9083 2.9094 3.1038 3.1043 5.5440 5.5443 5.6244 5.6266 12.2943 12.2961 13.0434 13.0438 14.1954 14.1960 14.5844 14.5861 k = 0.4265 0.4265-0.0000 ( 1728 PWs) bands (ev): -15.0979 -15.0979 -14.4220 -14.4219 -12.5665 -12.5664 -11.9441 -11.9440 -5.3412 -5.3411 -4.7690 -4.7688 -3.2392 -3.2386 -2.6942 -2.6940 1.1028 1.1036 1.3944 1.3950 2.8646 2.8658 3.1014 3.1019 5.5315 5.5319 5.6322 5.6345 12.2123 12.2141 13.0852 13.0856 14.1795 14.1802 14.5822 14.5836 k = 0.4191 0.4191-0.0000 ( 1728 PWs) bands (ev): -15.1909 -15.1908 -14.4077 -14.4076 -12.5456 -12.5455 -11.8278 -11.8277 -5.4158 -5.4157 -4.7546 -4.7544 -3.2282 -3.2275 -2.6000 -2.5998 1.0189 1.0197 1.3677 1.3684 2.8179 2.8191 3.0984 3.0990 5.5170 5.5175 5.6402 5.6428 12.1323 12.1341 13.1290 13.1295 14.1630 14.1637 14.5682 14.5693 k = 0.4118 0.4118-0.0000 ( 1732 PWs) bands (ev): -15.2852 -15.2851 -14.3922 -14.3921 -12.5226 -12.5225 -11.7084 -11.7083 -5.4906 -5.4905 -4.7390 -4.7387 -3.2163 -3.2155 -2.5041 -2.5038 0.9286 0.9294 1.3389 1.3396 2.7684 2.7698 3.0949 3.0955 5.5002 5.5008 5.6484 5.6511 12.0550 12.0568 13.1742 13.1746 14.1458 14.1465 14.5442 14.5450 k = 0.4044 0.4044-0.0000 ( 1736 PWs) bands (ev): -15.3802 -15.3801 -14.3754 -14.3753 -12.4977 -12.4976 -11.5865 -11.5864 -5.5651 -5.5649 -4.7223 -4.7220 -3.2034 -3.2025 -2.4070 -2.4067 0.8328 0.8336 1.3081 1.3088 2.7167 2.7182 3.0906 3.0913 5.4811 5.4819 5.6566 5.6594 11.9807 11.9824 13.2194 13.2198 14.1282 14.1290 14.5116 14.5121 k = 0.3971 0.3971-0.0000 ( 1730 PWs) bands (ev): -15.4755 -15.4754 -14.3574 -14.3573 -12.4708 -12.4707 -11.4627 -11.4626 -5.6386 -5.6384 -4.7044 -4.7041 -3.1895 -3.1886 -2.3094 -2.3091 0.7317 0.7326 1.2754 1.2762 2.6632 2.6647 3.0855 3.0862 5.4596 5.4607 5.6647 5.6677 11.9098 11.9114 13.2635 13.2639 14.1104 14.1113 14.4718 14.4720 k = 0.3897 0.3897-0.0000 ( 1730 PWs) bands (ev): -15.5708 -15.5707 -14.3381 -14.3380 -12.4419 -12.4418 -11.3375 -11.3373 -5.7108 -5.7107 -4.6855 -4.6852 -3.1748 -3.1738 -2.2118 -2.2114 0.6258 0.6266 1.2410 1.2418 2.6081 2.6097 3.0795 3.0803 5.4360 5.4372 5.6725 5.6756 11.8424 11.8439 13.3050 13.3053 14.0925 14.0934 14.4257 14.4257 k = 0.3824 0.3824-0.0000 ( 1724 PWs) bands (ev): -15.6658 -15.6657 -14.3177 -14.3175 -12.4111 -12.4110 -11.2113 -11.2111 -5.7813 -5.7811 -4.6656 -4.6652 -3.1591 -3.1581 -2.1147 -2.1142 0.5154 0.5162 1.2049 1.2058 2.5520 2.5537 3.0726 3.0734 5.4101 5.4115 5.6800 5.6832 11.7786 11.7800 13.3419 13.3421 14.0746 14.0757 14.3741 14.3743 k = 0.3750 0.3750-0.0000 ( 1724 PWs) bands (ev): -15.7602 -15.7601 -14.2960 -14.2959 -12.3783 -12.3781 -11.0845 -11.0843 -5.8497 -5.8496 -4.6448 -4.6444 -3.1426 -3.1415 -2.0186 -2.0180 0.4010 0.4018 1.1673 1.1682 2.4952 2.4970 3.0645 3.0654 5.3821 5.3837 5.6869 5.6902 11.7183 11.7197 13.3716 13.3718 14.0566 14.0578 14.3180 14.3183 k = 0.3676 0.3676-0.0000 ( 1728 PWs) bands (ev): -15.8539 -15.8538 -14.2733 -14.2731 -12.3436 -12.3434 -10.9575 -10.9573 -5.9157 -5.9156 -4.6233 -4.6228 -3.1254 -3.1241 -1.9239 -1.9233 0.2830 0.2838 1.1282 1.1291 2.4381 2.4400 3.0551 3.0560 5.3522 5.3540 5.6931 5.6965 11.6616 11.6628 13.3916 13.3916 14.0383 14.0397 14.2583 14.2587 k = 0.3603 0.3603-0.0000 ( 1732 PWs) bands (ev): -15.9467 -15.9467 -14.2494 -14.2492 -12.3068 -12.3067 -10.8308 -10.8306 -5.9789 -5.9788 -4.6010 -4.6006 -3.1073 -3.1060 -1.8313 -1.8306 0.1618 0.1626 1.0877 1.0887 2.3813 2.3833 3.0444 3.0454 5.3205 5.3226 5.6986 5.7021 11.6083 11.6093 13.3989 13.3989 14.0191 14.0209 14.1964 14.1966 k = 0.3529 0.3529-0.0000 ( 1732 PWs) bands (ev): -16.0385 -16.0384 -14.2245 -14.2243 -12.2682 -12.2680 -10.7047 -10.7045 -6.0389 -6.0389 -4.5782 -4.5777 -3.0884 -3.0870 -1.7411 -1.7403 0.0379 0.0387 1.0461 1.0471 2.3252 2.3273 3.0323 3.0333 5.2874 5.2898 5.7032 5.7067 11.5581 11.5590 13.3911 13.3912 13.9971 13.9996 14.1344 14.1347 k = 0.3456 0.3456-0.0000 ( 1730 PWs) bands (ev): -16.1292 -16.1291 -14.1985 -14.1983 -12.2276 -12.2274 -10.5796 -10.5794 -6.0954 -6.0954 -4.5550 -4.5544 -3.0688 -3.0674 -1.6539 -1.6530 -0.0882 -0.0875 1.0034 1.0045 2.2703 2.2725 3.0187 3.0198 5.2531 5.2557 5.7068 5.7103 11.5111 11.5118 13.3671 13.3673 13.9675 13.9712 14.0774 14.0787 k = 0.3382 0.3382-0.0000 ( 1726 PWs) bands (ev): -16.2185 -16.2185 -14.1715 -14.1713 -12.1850 -12.1848 -10.4561 -10.4559 -6.1481 -6.1481 -4.5314 -4.5308 -3.0485 -3.0470 -1.5703 -1.5692 -0.2162 -0.2156 0.9598 0.9609 2.2172 2.2195 3.0036 3.0048 5.2178 5.2207 5.7093 5.7128 11.4668 11.4673 13.3274 13.3276 13.9224 13.9270 14.0348 14.0369 k = 0.3309 0.3309-0.0000 ( 1726 PWs) bands (ev): -16.3066 -16.3065 -14.1436 -14.1434 -12.1406 -12.1404 -10.3344 -10.3342 -6.1965 -6.1965 -4.5078 -4.5072 -3.0276 -3.0260 -1.4908 -1.4896 -0.3456 -0.3450 0.9152 0.9163 2.1663 2.1687 2.9869 2.9881 5.1818 5.1849 5.7105 5.7141 11.4251 11.4254 13.2732 13.2735 13.8604 13.8651 14.0088 14.0108 k = 0.3235 0.3235-0.0000 ( 1721 PWs) bands (ev): -16.3932 -16.3931 -14.1147 -14.1145 -12.0942 -12.0940 -10.2151 -10.2149 -6.2402 -6.2402 -4.4844 -4.4837 -3.0061 -3.0044 -1.4160 -1.4147 -0.4759 -0.4754 0.8699 0.8710 2.1182 2.1208 2.9686 2.9698 5.1453 5.1488 5.7104 5.7141 11.3857 11.3859 13.2074 13.2076 13.7887 13.7933 13.9924 13.9942 k = 0.3162 0.3162-0.0000 ( 1729 PWs) bands (ev): -16.4784 -16.4783 -14.0850 -14.0848 -12.0459 -12.0457 -10.0988 -10.0986 -6.2788 -6.2788 -4.4613 -4.4606 -2.9841 -2.9823 -1.3467 -1.3452 -0.6069 -0.6064 0.8237 0.8249 2.0735 2.0761 2.9486 2.9498 5.1087 5.1123 5.7089 5.7126 11.3485 11.3485 13.1326 13.1328 13.7120 13.7165 13.9809 13.9826 k = 0.3088 0.3088-0.0000 ( 1729 PWs) bands (ev): -16.5620 -16.5620 -14.0544 -14.0542 -11.9958 -11.9955 -9.9859 -9.9857 -6.3118 -6.3117 -4.4388 -4.4381 -2.9615 -2.9596 -1.2832 -1.2815 -0.7376 -0.7372 0.7770 0.7782 2.0327 2.0355 2.9270 2.9283 5.0720 5.0760 5.7059 5.7096 11.3130 11.3132 13.0512 13.0514 13.6324 13.6369 13.9727 13.9743 k = 0.3015 0.3015-0.0000 ( 1729 PWs) bands (ev): -16.6441 -16.6440 -14.0231 -14.0229 -11.9437 -11.9435 -9.8770 -9.8768 -6.3388 -6.3386 -4.4174 -4.4166 -2.9385 -2.9365 -1.2262 -1.2244 -0.8678 -0.8675 0.7298 0.7310 1.9964 1.9993 2.9040 2.9052 5.0357 5.0399 5.7014 5.7051 11.2792 11.2796 12.9653 12.9654 13.5510 13.5555 13.9671 13.9687 k = 0.2941 0.2941-0.0000 ( 1729 PWs) bands (ev): -16.7245 -16.7244 -13.9910 -13.9908 -11.8898 -11.8895 -9.7726 -9.7724 -6.3591 -6.3590 -4.3973 -4.3964 -2.9151 -2.9130 -1.1763 -1.1744 -0.9967 -0.9965 0.6821 0.6833 1.9651 1.9681 2.8795 2.8807 4.9997 5.0042 5.6952 5.6989 11.2471 11.2477 12.8764 12.8765 13.4684 13.4730 13.9640 13.9656 k = 0.2868 0.2868-0.0000 ( 1729 PWs) bands (ev): -16.8032 -16.8032 -13.9583 -13.9581 -11.8340 -11.8337 -9.6734 -9.6732 -6.3724 -6.3723 -4.3791 -4.3781 -2.8913 -2.8891 -1.1340 -1.1319 -1.1239 -1.1238 0.6341 0.6353 1.9392 1.9424 2.8536 2.8548 4.9643 4.9690 5.6872 5.6909 11.2163 11.2172 12.7858 12.7859 13.3850 13.3896 13.9631 13.9648 k = 0.2794 0.2794-0.0000 ( 1733 PWs) bands (ev): -16.8803 -16.8802 -13.9250 -13.9247 -11.7764 -11.7761 -9.5799 -9.5797 -6.3782 -6.3780 -4.3632 -4.3622 -2.8672 -2.8649 -1.2487 -1.2486 -1.0997 -1.0975 0.5856 0.5868 1.9190 1.9223 2.8267 2.8279 4.9296 4.9345 5.6775 5.6812 11.1869 11.1880 12.6944 12.6945 13.3011 13.3058 13.9647 13.9664 k = 0.2721 0.2721-0.0000 ( 1733 PWs) bands (ev): -16.9556 -16.9555 -13.8911 -13.8908 -11.7169 -11.7166 -9.4927 -9.4925 -6.3760 -6.3758 -4.3502 -4.3491 -2.8429 -2.8405 -1.3702 -1.3702 -1.0737 -1.0714 0.5370 0.5382 1.9047 1.9082 2.7989 2.8000 4.8958 4.9009 5.6660 5.6696 11.1588 11.1600 12.6031 12.6032 13.2169 13.2217 13.9687 13.9706 k = 0.2647 0.2647-0.0000 ( 1733 PWs) bands (ev): -17.0291 -17.0290 -13.8567 -13.8565 -11.6557 -11.6554 -9.4121 -9.4119 -6.3656 -6.3652 -4.3408 -4.3397 -2.8184 -2.8159 -1.4878 -1.4876 -1.0562 -1.0537 0.4883 0.4895 1.8964 1.8999 2.7704 2.7715 4.8627 4.8680 5.6526 5.6562 11.1319 11.1333 12.5124 12.5126 13.1327 13.1376 13.9753 13.9772 k = 0.2574 0.2574-0.0000 ( 1737 PWs) bands (ev): -17.1008 -17.1007 -13.8219 -13.8217 -11.5926 -11.5923 -9.3386 -9.3384 -6.3465 -6.3461 -4.3358 -4.3346 -2.7938 -2.7912 -1.6005 -1.6002 -1.0471 -1.0445 0.4394 0.4406 1.8938 1.8973 2.7417 2.7427 4.8307 4.8361 5.6374 5.6410 11.1060 11.1077 12.4228 12.4230 13.0485 13.0535 13.9844 13.9865 k = 0.2500 0.2500-0.0000 ( 1737 PWs) bands (ev): -17.1707 -17.1706 -13.7868 -13.7865 -11.5278 -11.5274 -9.2724 -9.2722 -6.3188 -6.3183 -4.3360 -4.3346 -2.7692 -2.7665 -1.7073 -1.7069 -1.0463 -1.0436 0.3904 0.3917 1.8965 1.9001 2.7131 2.7139 4.7996 4.8052 5.6203 5.6238 11.0814 11.0833 12.3348 12.3350 12.9646 12.9695 13.9963 13.9986 k = 0.2426 0.2426-0.0000 ( 1737 PWs) bands (ev): -17.2387 -17.2387 -13.7513 -13.7511 -11.4612 -11.4608 -9.2137 -9.2135 -6.2823 -6.2818 -4.3421 -4.3407 -2.7447 -2.7419 -1.8073 -1.8068 -1.0533 -1.0505 0.3415 0.3427 1.9038 1.9075 2.6850 2.6857 4.7695 4.7752 5.6013 5.6048 11.0580 11.0600 12.2486 12.2489 12.8809 12.8859 14.0110 14.0134 k = 0.2353 0.2353-0.0000 ( 1737 PWs) bands (ev): -17.3049 -17.3048 -13.7157 -13.7154 -11.3929 -11.3925 -9.1623 -9.1622 -6.2374 -6.2369 -4.3553 -4.3537 -2.7203 -2.7174 -1.8994 -1.8987 -1.0677 -1.0648 0.2926 0.2938 1.9150 1.9186 2.6580 2.6586 4.7405 4.7463 5.5805 5.5839 11.0356 11.0379 12.1646 12.1649 12.7975 12.8026 14.0285 14.0310 k = 0.2279 0.2279-0.0000 ( 1737 PWs) bands (ev): -17.3692 -17.3691 -13.6799 -13.6797 -11.3229 -11.3225 -9.1181 -9.1180 -6.1844 -6.1837 -4.3762 -4.3746 -2.6961 -2.6931 -1.9826 -1.9819 -1.0888 -1.0858 0.2437 0.2450 1.9289 1.9324 2.6328 2.6331 4.7126 4.7185 5.5578 5.5612 11.0146 11.0170 12.0829 12.0832 12.7147 12.7197 14.0490 14.0517 k = 0.2206 0.2206-0.0000 ( 1739 PWs) bands (ev): -17.4316 -17.4315 -13.6441 -13.6438 -11.2512 -11.2508 -9.0809 -9.0808 -6.1237 -6.1230 -4.4057 -4.4040 -2.6724 -2.6693 -2.0562 -2.0554 -1.1159 -1.1128 0.1949 0.1962 1.9442 1.9476 2.6100 2.6101 4.6858 4.6918 5.5334 5.5368 10.9948 10.9974 12.0037 12.0040 12.6323 12.6373 14.0724 14.0752 k = 0.2132 0.2132-0.0000 ( 1743 PWs) bands (ev): -17.4920 -17.4920 -13.6083 -13.6080 -11.1779 -11.1775 -9.0501 -9.0500 -6.0559 -6.0551 -4.4444 -4.4426 -2.6491 -2.6460 -2.1195 -2.1186 -1.1481 -1.1450 0.1463 0.1476 1.9594 1.9627 2.5903 2.5905 4.6603 4.6663 5.5073 5.5106 10.9764 10.9791 11.9271 11.9274 12.5504 12.5554 14.0988 14.1017 k = 0.2059 0.2059-0.0000 ( 1743 PWs) bands (ev): -17.5506 -17.5505 -13.5726 -13.5723 -11.1029 -11.1025 -9.0251 -9.0250 -5.9818 -5.9810 -4.4925 -4.4908 -2.6266 -2.6233 -2.1720 -2.1710 -1.1846 -1.1815 0.0977 0.0990 1.9731 1.9761 2.5746 2.5752 4.6362 4.6421 5.4796 5.4828 10.9594 10.9622 11.8533 11.8536 12.4691 12.4741 14.1282 14.1312 k = 0.1985 0.1985-0.0000 ( 1743 PWs) bands (ev): -17.6071 -17.6071 -13.5371 -13.5368 -11.0265 -11.0261 -9.0055 -9.0055 -5.9022 -5.9013 -4.5502 -4.5484 -2.6048 -2.6015 -2.2136 -2.2126 -1.2246 -1.2214 0.0494 0.0507 1.9837 1.9865 2.5638 2.5648 4.6136 4.6195 5.4504 5.4535 10.9437 10.9467 11.7824 11.7828 12.3884 12.3934 14.1605 14.1637 k = 0.1912 0.1912-0.0000 ( 1747 PWs) bands (ev): -17.6617 -17.6617 -13.5018 -13.5016 -10.9485 -10.9481 -8.9907 -8.9906 -5.8179 -5.8169 -4.6173 -4.6155 -2.5841 -2.5808 -2.2445 -2.2434 -1.2670 -1.2639 0.0013 0.0025 1.9899 1.9924 2.5584 2.5599 4.5926 4.5984 5.4197 5.4228 10.9295 10.9326 11.7144 11.7148 12.3083 12.3132 14.1958 14.1990 k = 0.1838 0.1838-0.0000 ( 1743 PWs) bands (ev): -17.7144 -17.7143 -13.4669 -13.4667 -10.8690 -10.8686 -8.9799 -8.9799 -5.7297 -5.7287 -4.6931 -4.6913 -2.5647 -2.5613 -2.2651 -2.2640 -1.3110 -1.3077 -0.0466 -0.0454 1.9910 1.9932 2.5587 2.5606 4.5736 4.5793 5.3878 5.3908 10.9168 10.9200 11.6494 11.6498 12.2290 12.2339 14.2338 14.2372 k = 0.1765 0.1765-0.0000 ( 1743 PWs) bands (ev): -17.7650 -17.7650 -13.4325 -13.4322 -10.7882 -10.7877 -8.9727 -8.9727 -5.6385 -5.6374 -4.7770 -4.7752 -2.5468 -2.5434 -2.2761 -2.2749 -1.3556 -1.3523 -0.0944 -0.0931 1.9866 1.9885 2.5641 2.5665 4.5566 4.5622 5.3548 5.3577 10.9056 10.9089 11.5875 11.5878 12.1505 12.1552 14.2744 14.2780 k = 0.1691 0.1691-0.0000 ( 1747 PWs) bands (ev): -17.8137 -17.8136 -13.3986 -13.3984 -10.7060 -10.7056 -8.9685 -8.9684 -5.5451 -5.5439 -4.8680 -4.8663 -2.5308 -2.5274 -2.2783 -2.2771 -1.4000 -1.3966 -0.1419 -0.1406 1.9768 1.9785 2.5738 2.5766 4.5420 4.5474 5.3208 5.3236 10.8958 10.8991 11.5285 11.5289 12.0728 12.0775 14.3175 14.3212 k = 0.1618 0.1618-0.0000 ( 1747 PWs) bands (ev): -17.8603 -17.8603 -13.3653 -13.3651 -10.6226 -10.6221 -8.9667 -8.9667 -5.4502 -5.4489 -4.9653 -4.9636 -2.5171 -2.5137 -2.2726 -2.2715 -1.4431 -1.4396 -0.1891 -0.1879 1.9624 1.9638 2.5867 2.5899 4.5300 4.5352 5.2860 5.2887 10.8875 10.8909 11.4726 11.4729 11.9960 12.0006 14.3629 14.3666 k = 0.1544 0.1544-0.0000 ( 1747 PWs) bands (ev): -17.9049 -17.9049 -13.3328 -13.3325 -10.5379 -10.5375 -8.9670 -8.9669 -5.3546 -5.3533 -5.0678 -5.0661 -2.5059 -2.5027 -2.2600 -2.2588 -1.4840 -1.4805 -0.2363 -0.2350 1.9441 1.9453 2.6014 2.6050 4.5208 4.5258 5.2506 5.2532 10.8806 10.8840 11.4196 11.4200 11.9203 11.9248 14.4101 14.4139 k = 0.1471 0.1471-0.0000 ( 1749 PWs) bands (ev): -17.9475 -17.9475 -13.3010 -13.3008 -10.4522 -10.4518 -8.9689 -8.9688 -5.2590 -5.2577 -5.1746 -5.1730 -2.4979 -2.4948 -2.2412 -2.2401 -1.5219 -1.5183 -0.2831 -0.2819 1.9227 1.9238 2.6167 2.6204 4.5147 4.5195 5.2149 5.2174 10.8752 10.8785 11.3697 11.3700 11.8457 11.8500 14.4588 14.4626 k = 0.1397 0.1397-0.0000 ( 1751 PWs) bands (ev): -17.9881 -17.9881 -13.2701 -13.2699 -10.3656 -10.3651 -8.9720 -8.9720 -5.2849 -5.2833 -5.1641 -5.1626 -2.4934 -2.4904 -2.2172 -2.2161 -1.5559 -1.5521 -0.3297 -0.3285 1.8989 1.8999 2.6314 2.6353 4.5119 4.5163 5.1789 5.1813 10.8709 10.8743 11.3227 11.3230 11.7724 11.7766 14.5085 14.5123 k = 0.1324 0.1324-0.0000 ( 1751 PWs) bands (ev): -18.0266 -18.0266 -13.2402 -13.2400 -10.2781 -10.2776 -8.9761 -8.9761 -5.3977 -5.3961 -5.0705 -5.0690 -2.4927 -2.4898 -2.1887 -2.1876 -1.5852 -1.5813 -0.3762 -0.3750 1.8734 1.8744 2.6446 2.6488 4.5123 4.5164 5.1430 5.1452 10.8680 10.8714 11.2785 11.2789 11.7005 11.7045 14.5585 14.5624 k = 0.1250 0.1250-0.0000 ( 1747 PWs) bands (ev): -18.0631 -18.0630 -13.2114 -13.2112 -10.1899 -10.1894 -8.9808 -8.9808 -5.5122 -5.5107 -4.9788 -4.9772 -2.4961 -2.4934 -2.1564 -2.1553 -1.6093 -1.6052 -0.4224 -0.4212 1.8466 1.8476 2.6559 2.6602 4.5160 4.5199 5.1073 5.1095 10.8663 10.8696 11.2373 11.2376 11.6302 11.6341 14.6081 14.6120 k = 0.1176 0.1176-0.0000 ( 1751 PWs) bands (ev): -18.0975 -18.0975 -13.1837 -13.1835 -10.1013 -10.1008 -8.9861 -8.9860 -5.6277 -5.6263 -4.8895 -4.8879 -2.5035 -2.5010 -2.1209 -2.1198 -1.6278 -1.6236 -0.4684 -0.4672 1.8190 1.8200 2.6647 2.6690 4.5229 4.5265 5.0721 5.0741 10.8656 10.8688 11.1988 11.1991 11.5618 11.5655 14.6564 14.6602 k = 0.1103 0.1103-0.0000 ( 1755 PWs) bands (ev): -18.1299 -18.1298 -13.1573 -13.1571 -10.0124 -10.0119 -8.9915 -8.9915 -5.7436 -5.7422 -4.8033 -4.8017 -2.5150 -2.5127 -2.0827 -2.0816 -1.6406 -1.6363 -0.5142 -0.5130 1.7910 1.7920 2.6708 2.6752 4.5328 4.5361 5.0375 5.0395 10.8659 10.8690 11.1631 11.1633 11.4954 11.4989 14.7020 14.7056 k = 0.1029 0.1029-0.0000 ( 1759 PWs) bands (ev): -18.1602 -18.1601 -13.1321 -13.1320 -9.9235 -9.9229 -8.9971 -8.9971 -5.8592 -5.8578 -4.7205 -4.7189 -2.5299 -2.5278 -2.0423 -2.0413 -1.6480 -1.6436 -0.5597 -0.5586 1.7628 1.7638 2.6742 2.6785 4.5455 4.5485 5.0039 5.0057 10.8670 10.8699 11.1300 11.1302 11.4312 11.4346 14.7435 14.7469 k = 0.0956 0.0956-0.0000 ( 1755 PWs) bands (ev): -18.1884 -18.1884 -13.1084 -13.1082 -9.8349 -9.8343 -9.0026 -9.0026 -5.9737 -5.9724 -4.6417 -4.6401 -2.5477 -2.5458 -2.0002 -1.9992 -1.6502 -1.6458 -0.6050 -0.6039 1.7347 1.7357 2.6751 2.6794 4.5605 4.5632 4.9714 4.9731 10.8689 10.8718 11.0995 11.0997 11.3697 11.3729 14.7792 14.7824 k = 0.0882 0.0882-0.0000 ( 1747 PWs) bands (ev): -18.2145 -18.2145 -13.0861 -13.0859 -9.7469 -9.7464 -9.0080 -9.0079 -6.0865 -6.0853 -4.5672 -4.5656 -2.5677 -2.5660 -1.9568 -1.9558 -1.6480 -1.6436 -0.6500 -0.6488 1.7071 1.7081 2.6739 2.6780 4.5774 4.5798 4.9404 4.9419 10.8715 10.8742 11.0717 11.0719 11.3111 11.3141 14.8074 14.8102 k = 0.0809 0.0809-0.0000 ( 1751 PWs) bands (ev): -18.2386 -18.2386 -13.0653 -13.0651 -9.6602 -9.6596 -9.0131 -9.0131 -6.1970 -6.1959 -4.4974 -4.4959 -2.5893 -2.5878 -1.9126 -1.9116 -1.6421 -1.6377 -0.6946 -0.6935 1.6800 1.6810 2.6706 2.6745 4.5956 4.5978 4.9108 4.9123 10.8744 10.8769 11.0463 11.0465 11.2555 11.2583 14.8268 14.8291 k = 0.0735 0.0735-0.0000 ( 1745 PWs) bands (ev): -18.2606 -18.2606 -13.0461 -13.0459 -9.5751 -9.5746 -9.0179 -9.0179 -6.3043 -6.3032 -4.4327 -4.4312 -2.6115 -2.6102 -1.8678 -1.8668 -1.6332 -1.6290 -0.7387 -0.7376 1.6539 1.6549 2.6659 2.6696 4.6146 4.6166 4.8831 4.8845 10.8776 10.8800 11.0234 11.0235 11.2034 11.2060 14.8371 14.8390 k = 0.0662 0.0662-0.0000 ( 1745 PWs) bands (ev): -18.2805 -18.2805 -13.0285 -13.0284 -9.4924 -9.4919 -9.0224 -9.0223 -6.4076 -6.4066 -4.3734 -4.3720 -2.6337 -2.6325 -1.8230 -1.8220 -1.6223 -1.6182 -0.7822 -0.7811 1.6289 1.6299 2.6600 2.6635 4.6340 4.6357 4.8574 4.8586 10.8811 10.8832 11.0028 11.0029 11.1550 11.1573 14.8393 14.8408 k = 0.0588 0.0588-0.0000 ( 1749 PWs) bands (ev): -18.2984 -18.2983 -13.0127 -13.0125 -9.4128 -9.4124 -9.0264 -9.0264 -6.5059 -6.5050 -4.3197 -4.3184 -2.6552 -2.6541 -1.7786 -1.7777 -1.6100 -1.6062 -0.8248 -0.8238 1.6054 1.6064 2.6535 2.6567 4.6529 4.6544 4.8338 4.8349 10.8846 10.8865 10.9845 10.9846 11.1106 11.1127 14.8353 14.8364 k = 0.0515 0.0515-0.0000 ( 1749 PWs) bands (ev): -18.3141 -18.3141 -12.9985 -12.9984 -9.3375 -9.3370 -9.0300 -9.0300 -6.5981 -6.5972 -4.2719 -4.2707 -2.6754 -2.6745 -1.7350 -1.7342 -1.5971 -1.5936 -0.8662 -0.8653 1.5837 1.5846 2.6467 2.6496 4.6712 4.6724 4.8126 4.8135 10.8882 10.8899 10.9685 10.9686 11.0705 11.0723 14.8273 14.8281 k = 0.0441 0.0441-0.0000 ( 1745 PWs) bands (ev): -18.3277 -18.3277 -12.9862 -12.9861 -9.2674 -9.2670 -9.0332 -9.0332 -6.6829 -6.6821 -4.2301 -4.2291 -2.6938 -2.6930 -1.6931 -1.6922 -1.5842 -1.5811 -0.9060 -0.9051 1.5641 1.5649 2.6401 2.6426 4.6881 4.6892 4.7940 4.7948 10.8917 10.8932 10.9548 10.9548 11.0349 11.0365 14.8172 14.8179 k = 0.0368 0.0368-0.0000 ( 1741 PWs) bands (ev): -18.3393 -18.3392 -12.9757 -12.9757 -9.2041 -9.2037 -9.0358 -9.0358 -6.7588 -6.7581 -4.1945 -4.1936 -2.7099 -2.7093 -1.6534 -1.6527 -1.5722 -1.5695 -0.9435 -0.9427 1.5468 1.5476 2.6340 2.6361 4.7033 4.7042 4.7779 4.7786 10.8952 10.8964 10.9434 10.9434 11.0040 11.0053 14.8066 14.8071 k = 0.0294 0.0294-0.0000 ( 1739 PWs) bands (ev): -18.3487 -18.3487 -12.9671 -12.9670 -9.1490 -9.1487 -9.0380 -9.0380 -6.8243 -6.8237 -4.1652 -4.1645 -2.7236 -2.7231 -1.6173 -1.6166 -1.5614 -1.5592 -0.9777 -0.9770 1.5323 1.5329 2.6286 2.6304 4.7163 4.7170 4.7647 4.7652 10.8985 10.8995 10.9340 10.9341 10.9779 10.9790 14.7967 14.7971 k = 0.0221 0.0221-0.0000 ( 1739 PWs) bands (ev): -18.3560 -18.3560 -12.9604 -12.9603 -9.1038 -9.1035 -9.0398 -9.0397 -6.8776 -6.8772 -4.1424 -4.1418 -2.7345 -2.7342 -1.5860 -1.5854 -1.5524 -1.5507 -1.0074 -1.0068 1.5207 1.5212 2.6243 2.6255 4.7267 4.7273 4.7542 4.7546 10.9018 10.9026 10.9269 10.9269 10.9568 10.9576 14.7883 14.7885 k = 0.0147 0.0147-0.0000 ( 1743 PWs) bands (ev): -18.3613 -18.3613 -12.9555 -12.9555 -9.0700 -9.0698 -9.0410 -9.0410 -6.9172 -6.9169 -4.1259 -4.1256 -2.7424 -2.7422 -1.5614 -1.5609 -1.5456 -1.5444 -1.0307 -1.0303 1.5122 1.5125 2.6210 2.6219 4.7344 4.7347 4.7468 4.7470 10.9054 10.9058 10.9219 10.9220 10.9404 10.9409 14.7819 14.7821 k = 0.0074 0.0074-0.0000 ( 1739 PWs) bands (ev): -18.3645 -18.3645 -12.9526 -12.9526 -9.0491 -9.0490 -9.0417 -9.0417 -6.9415 -6.9414 -4.1160 -4.1158 -2.7472 -2.7471 -1.5456 -1.5453 -1.5411 -1.5404 -1.0458 -1.0455 1.5071 1.5073 2.6192 2.6196 4.7390 4.7392 4.7424 4.7425 10.9091 10.9092 10.9195 10.9196 10.9286 10.9289 14.7779 14.7780 k = 0.0000 0.0000 0.0000 ( 1739 PWs) bands (ev): -18.3655 -18.3655 -12.9516 -12.9516 -9.0424 -9.0424 -9.0415 -9.0415 -6.9497 -6.9497 -4.1127 -4.1127 -2.7488 -2.7488 -1.5408 -1.5408 -1.5386 -1.5386 -1.0509 -1.0509 1.5054 1.5054 2.6187 2.6187 4.7402 4.7402 4.7414 4.7414 10.9111 10.9111 10.9204 10.9204 10.9223 10.9223 14.7766 14.7766 k = 0.0000 0.0000 0.0000 ( 1739 PWs) bands (ev): -18.3655 -18.3655 -12.9516 -12.9516 -9.0424 -9.0424 -9.0415 -9.0415 -6.9497 -6.9497 -4.1127 -4.1127 -2.7488 -2.7488 -1.5408 -1.5408 -1.5386 -1.5386 -1.0509 -1.0509 1.5054 1.5054 2.6187 2.6187 4.7402 4.7402 4.7414 4.7414 10.9111 10.9111 10.9204 10.9204 10.9223 10.9223 14.7766 14.7766 k = 0.0000 0.0000 0.0103 ( 1739 PWs) bands (ev): -18.3655 -18.3655 -12.9518 -12.9518 -9.0424 -9.0424 -9.0415 -9.0415 -6.9497 -6.9497 -4.1125 -4.1125 -2.7489 -2.7489 -1.5408 -1.5408 -1.5386 -1.5386 -1.0510 -1.0510 1.5062 1.5062 2.6184 2.6184 4.7401 4.7401 4.7413 4.7413 10.9113 10.9113 10.9199 10.9199 10.9224 10.9224 14.7772 14.7772 k = 0.0000 0.0000 0.0205 ( 1739 PWs) bands (ev): -18.3654 -18.3654 -12.9521 -12.9521 -9.0424 -9.0424 -9.0415 -9.0415 -6.9496 -6.9496 -4.1122 -4.1122 -2.7494 -2.7494 -1.5409 -1.5409 -1.5387 -1.5387 -1.0512 -1.0512 1.5087 1.5087 2.6174 2.6174 4.7397 4.7397 4.7410 4.7410 10.9117 10.9117 10.9181 10.9181 10.9228 10.9228 14.7790 14.7790 k = 0.0000 0.0000 0.0308 ( 1739 PWs) bands (ev): -18.3652 -18.3652 -12.9527 -12.9527 -9.0423 -9.0423 -9.0414 -9.0414 -6.9495 -6.9495 -4.1116 -4.1116 -2.7502 -2.7502 -1.5410 -1.5410 -1.5388 -1.5388 -1.0516 -1.0516 1.5127 1.5127 2.6159 2.6159 4.7391 4.7391 4.7404 4.7404 10.9124 10.9124 10.9154 10.9154 10.9236 10.9236 14.7819 14.7819 k = 0.0000 0.0000 0.0410 ( 1739 PWs) bands (ev): -18.3650 -18.3650 -12.9535 -12.9535 -9.0423 -9.0423 -9.0414 -9.0414 -6.9494 -6.9494 -4.1107 -4.1107 -2.7512 -2.7512 -1.5412 -1.5412 -1.5390 -1.5390 -1.0522 -1.0522 1.5183 1.5183 2.6139 2.6139 4.7383 4.7383 4.7395 4.7395 10.9115 10.9115 10.9135 10.9135 10.9246 10.9246 14.7859 14.7859 k = 0.0000 0.0000 0.0513 ( 1747 PWs) bands (ev): -18.3647 -18.3647 -12.9546 -12.9546 -9.0422 -9.0422 -9.0413 -9.0413 -6.9492 -6.9492 -4.1097 -4.1097 -2.7526 -2.7526 -1.5414 -1.5414 -1.5392 -1.5392 -1.0529 -1.0529 1.5254 1.5254 2.6111 2.6111 4.7371 4.7371 4.7383 4.7383 10.9066 10.9066 10.9147 10.9147 10.9259 10.9259 14.7910 14.7910 k = 0.0000 0.0000 0.0616 ( 1755 PWs) bands (ev): -18.3643 -18.3643 -12.9558 -12.9558 -9.0421 -9.0421 -9.0412 -9.0412 -6.9490 -6.9490 -4.1084 -4.1084 -2.7542 -2.7542 -1.5416 -1.5416 -1.5395 -1.5395 -1.0538 -1.0538 1.5341 1.5341 2.6075 2.6075 4.7358 4.7358 4.7370 4.7370 10.9006 10.9006 10.9163 10.9163 10.9275 10.9275 14.7972 14.7972 k = 0.0000 0.0000 0.0718 ( 1759 PWs) bands (ev): -18.3639 -18.3639 -12.9573 -12.9573 -9.0420 -9.0420 -9.0411 -9.0411 -6.9488 -6.9488 -4.1069 -4.1069 -2.7561 -2.7561 -1.5420 -1.5420 -1.5398 -1.5398 -1.0547 -1.0547 1.5443 1.5443 2.6035 2.6035 4.7342 4.7342 4.7355 4.7355 10.8937 10.8937 10.9181 10.9181 10.9293 10.9293 14.8045 14.8045 k = 0.0000 0.0000 0.0821 ( 1759 PWs) bands (ev): -18.3634 -18.3634 -12.9589 -12.9589 -9.0419 -9.0419 -9.0409 -9.0409 -6.9485 -6.9485 -4.1052 -4.1052 -2.7582 -2.7582 -1.5423 -1.5423 -1.5401 -1.5401 -1.0558 -1.0558 1.5559 1.5559 2.5989 2.5989 4.7326 4.7326 4.7338 4.7338 10.8860 10.8860 10.9202 10.9202 10.9313 10.9313 14.8127 14.8127 k = 0.0000 0.0000 0.0924 ( 1759 PWs) bands (ev): -18.3629 -18.3629 -12.9607 -12.9607 -9.0417 -9.0417 -9.0408 -9.0408 -6.9482 -6.9482 -4.1033 -4.1033 -2.7606 -2.7606 -1.5427 -1.5427 -1.5405 -1.5405 -1.0570 -1.0570 1.5690 1.5690 2.5937 2.5937 4.7307 4.7307 4.7320 4.7320 10.8774 10.8774 10.9225 10.9225 10.9336 10.9336 14.8219 14.8219 k = 0.0000 0.0000 0.1026 ( 1759 PWs) bands (ev): -18.3623 -18.3623 -12.9627 -12.9627 -9.0415 -9.0415 -9.0406 -9.0406 -6.9478 -6.9478 -4.1012 -4.1012 -2.7632 -2.7632 -1.5431 -1.5431 -1.5409 -1.5409 -1.0583 -1.0583 1.5834 1.5834 2.5877 2.5877 4.7287 4.7287 4.7300 4.7300 10.8680 10.8680 10.9250 10.9250 10.9361 10.9361 14.8319 14.8319 k = 0.0000 0.0000 0.1129 ( 1759 PWs) bands (ev): -18.3617 -18.3617 -12.9648 -12.9648 -9.0414 -9.0414 -9.0405 -9.0405 -6.9474 -6.9474 -4.0990 -4.0990 -2.7660 -2.7660 -1.5435 -1.5435 -1.5413 -1.5413 -1.0597 -1.0597 1.5992 1.5992 2.5812 2.5812 4.7266 4.7266 4.7278 4.7278 10.8579 10.8579 10.9276 10.9276 10.9388 10.9388 14.8427 14.8427 k = 0.0000 0.0000 0.1231 ( 1759 PWs) bands (ev): -18.3610 -18.3610 -12.9671 -12.9671 -9.0412 -9.0412 -9.0403 -9.0403 -6.9470 -6.9470 -4.0966 -4.0966 -2.7690 -2.7690 -1.5439 -1.5439 -1.5417 -1.5417 -1.0612 -1.0612 1.6162 1.6162 2.5739 2.5739 4.7243 4.7243 4.7255 4.7255 10.8473 10.8473 10.9304 10.9304 10.9416 10.9416 14.8543 14.8543 k = 0.0000 0.0000 0.1334 ( 1759 PWs) bands (ev): -18.3604 -18.3604 -12.9694 -12.9694 -9.0410 -9.0410 -9.0401 -9.0401 -6.9466 -6.9466 -4.0941 -4.0941 -2.7721 -2.7721 -1.5444 -1.5444 -1.5422 -1.5422 -1.0628 -1.0628 1.6344 1.6344 2.5659 2.5659 4.7219 4.7219 4.7232 4.7232 10.8361 10.8361 10.9334 10.9334 10.9445 10.9445 14.8665 14.8665 k = 0.0000 0.0000 0.1437 ( 1747 PWs) bands (ev): -18.3596 -18.3596 -12.9718 -12.9718 -9.0408 -9.0408 -9.0398 -9.0398 -6.9462 -6.9462 -4.0915 -4.0915 -2.7753 -2.7753 -1.5449 -1.5449 -1.5427 -1.5427 -1.0643 -1.0643 1.6538 1.6538 2.5573 2.5573 4.7195 4.7195 4.7208 4.7208 10.8245 10.8245 10.9364 10.9364 10.9476 10.9476 14.8793 14.8793 k = 0.0000 0.0000 0.1539 ( 1747 PWs) bands (ev): -18.3589 -18.3589 -12.9743 -12.9743 -9.0405 -9.0405 -9.0396 -9.0396 -6.9457 -6.9457 -4.0888 -4.0888 -2.7787 -2.7787 -1.5454 -1.5454 -1.5432 -1.5432 -1.0660 -1.0660 1.6741 1.6741 2.5479 2.5479 4.7170 4.7170 4.7183 4.7183 10.8126 10.8126 10.9395 10.9395 10.9507 10.9507 14.8925 14.8925 k = 0.0000 0.0000 0.1642 ( 1747 PWs) bands (ev): -18.3582 -18.3582 -12.9769 -12.9769 -9.0403 -9.0403 -9.0394 -9.0394 -6.9453 -6.9453 -4.0860 -4.0860 -2.7822 -2.7822 -1.5459 -1.5459 -1.5437 -1.5437 -1.0677 -1.0677 1.6954 1.6954 2.5378 2.5378 4.7145 4.7145 4.7157 4.7157 10.8005 10.8005 10.9426 10.9426 10.9538 10.9538 14.9062 14.9062 k = 0.0000 0.0000 0.1744 ( 1755 PWs) bands (ev): -18.3574 -18.3574 -12.9795 -12.9795 -9.0401 -9.0401 -9.0392 -9.0392 -6.9449 -6.9449 -4.0832 -4.0832 -2.7859 -2.7859 -1.5464 -1.5464 -1.5442 -1.5442 -1.0694 -1.0694 1.7174 1.7174 2.5269 2.5269 4.7119 4.7119 4.7131 4.7131 10.7882 10.7882 10.9457 10.9457 10.9569 10.9569 14.9202 14.9202 k = 0.0000 0.0000 0.1847 ( 1747 PWs) bands (ev): -18.3567 -18.3567 -12.9820 -12.9820 -9.0399 -9.0399 -9.0390 -9.0390 -6.9444 -6.9444 -4.0803 -4.0803 -2.7894 -2.7894 -1.5469 -1.5469 -1.5447 -1.5447 -1.0711 -1.0711 1.7404 1.7404 2.5154 2.5154 4.7094 4.7094 4.7106 4.7106 10.7760 10.7760 10.9488 10.9488 10.9600 10.9600 14.9344 14.9344 k = 0.0000 0.0000 0.1950 ( 1747 PWs) bands (ev): -18.3559 -18.3559 -12.9845 -12.9845 -9.0397 -9.0397 -9.0388 -9.0388 -6.9439 -6.9439 -4.0775 -4.0775 -2.7930 -2.7930 -1.5474 -1.5474 -1.5452 -1.5452 -1.0728 -1.0728 1.7639 1.7639 2.5031 2.5031 4.7068 4.7068 4.7081 4.7081 10.7638 10.7638 10.9519 10.9519 10.9631 10.9631 14.9487 14.9487 k = 0.0000 0.0000 0.2052 ( 1747 PWs) bands (ev): -18.3552 -18.3552 -12.9870 -12.9870 -9.0395 -9.0395 -9.0386 -9.0386 -6.9435 -6.9435 -4.0747 -4.0747 -2.7965 -2.7965 -1.5479 -1.5479 -1.5457 -1.5457 -1.0744 -1.0744 1.7880 1.7880 2.4901 2.4901 4.7043 4.7043 4.7056 4.7056 10.7518 10.7518 10.9549 10.9549 10.9661 10.9661 14.9630 14.9630 k = 0.0000 0.0000 0.2155 ( 1755 PWs) bands (ev): -18.3545 -18.3545 -12.9895 -12.9895 -9.0393 -9.0393 -9.0384 -9.0384 -6.9431 -6.9431 -4.0720 -4.0720 -2.7999 -2.7999 -1.5484 -1.5484 -1.5462 -1.5462 -1.0761 -1.0761 1.8125 1.8125 2.4763 2.4763 4.7019 4.7019 4.7032 4.7032 10.7401 10.7401 10.9577 10.9577 10.9690 10.9690 14.9773 14.9773 k = 0.0000 0.0000 0.2257 ( 1747 PWs) bands (ev): -18.3538 -18.3538 -12.9918 -12.9918 -9.0391 -9.0391 -9.0382 -9.0382 -6.9426 -6.9426 -4.0692 -4.0692 -2.8033 -2.8033 -1.5489 -1.5489 -1.5467 -1.5467 -1.0776 -1.0776 1.8374 1.8374 2.4620 2.4620 4.6997 4.6997 4.7009 4.7009 10.7289 10.7289 10.9606 10.9606 10.9718 10.9718 14.9914 14.9914 k = 0.0000 0.0000 0.2360 ( 1747 PWs) bands (ev): -18.3531 -18.3531 -12.9940 -12.9940 -9.0389 -9.0389 -9.0380 -9.0380 -6.9422 -6.9422 -4.0667 -4.0667 -2.8065 -2.8065 -1.5494 -1.5494 -1.5472 -1.5472 -1.0791 -1.0791 1.8624 1.8624 2.4470 2.4470 4.6974 4.6974 4.6987 4.6987 10.7181 10.7181 10.9632 10.9632 10.9745 10.9745 15.0051 15.0051 k = 0.0000 0.0000 0.2463 ( 1739 PWs) bands (ev): -18.3525 -18.3525 -12.9961 -12.9961 -9.0387 -9.0387 -9.0378 -9.0378 -6.9419 -6.9419 -4.0642 -4.0642 -2.8096 -2.8096 -1.5497 -1.5497 -1.5476 -1.5476 -1.0804 -1.0804 1.8875 1.8875 2.4315 2.4315 4.6954 4.6954 4.6966 4.6966 10.7079 10.7079 10.9659 10.9659 10.9771 10.9771 15.0185 15.0185 k = 0.0000 0.0000 0.2565 ( 1735 PWs) bands (ev): -18.3519 -18.3519 -12.9981 -12.9981 -9.0385 -9.0385 -9.0376 -9.0376 -6.9415 -6.9415 -4.0619 -4.0619 -2.8124 -2.8124 -1.5501 -1.5501 -1.5479 -1.5479 -1.0817 -1.0817 1.9124 1.9124 2.4155 2.4155 4.6935 4.6935 4.6947 4.6947 10.6984 10.6984 10.9682 10.9682 10.9795 10.9795 15.0312 15.0312 k = 0.0000 0.0000 0.2668 ( 1735 PWs) bands (ev): -18.3514 -18.3514 -12.9999 -12.9999 -9.0384 -9.0384 -9.0375 -9.0375 -6.9412 -6.9412 -4.0598 -4.0598 -2.8151 -2.8151 -1.5505 -1.5505 -1.5483 -1.5483 -1.0829 -1.0829 1.9368 1.9368 2.3992 2.3992 4.6917 4.6917 4.6929 4.6929 10.6897 10.6897 10.9704 10.9704 10.9816 10.9816 15.0433 15.0433 k = 0.0000 0.0000 0.2771 ( 1735 PWs) bands (ev): -18.3509 -18.3509 -13.0015 -13.0015 -9.0382 -9.0382 -9.0373 -9.0373 -6.9409 -6.9409 -4.0578 -4.0578 -2.8175 -2.8175 -1.5508 -1.5508 -1.5486 -1.5486 -1.0840 -1.0840 1.9606 1.9606 2.3828 2.3828 4.6901 4.6901 4.6913 4.6913 10.6817 10.6817 10.9723 10.9723 10.9835 10.9835 15.0546 15.0546 k = 0.0000 0.0000 0.2873 ( 1727 PWs) bands (ev): -18.3505 -18.3505 -13.0030 -13.0030 -9.0381 -9.0381 -9.0372 -9.0372 -6.9406 -6.9406 -4.0561 -4.0561 -2.8196 -2.8196 -1.5511 -1.5511 -1.5489 -1.5489 -1.0849 -1.0849 1.9836 1.9836 2.3665 2.3665 4.6887 4.6887 4.6899 4.6899 10.6747 10.6747 10.9740 10.9740 10.9853 10.9853 15.0649 15.0649 k = 0.0000 0.0000 0.2976 ( 1727 PWs) bands (ev): -18.3501 -18.3501 -13.0042 -13.0042 -9.0380 -9.0380 -9.0371 -9.0371 -6.9403 -6.9403 -4.0546 -4.0546 -2.8215 -2.8215 -1.5513 -1.5513 -1.5492 -1.5492 -1.0858 -1.0858 2.0051 2.0051 2.3506 2.3506 4.6875 4.6875 4.6887 4.6887 10.6687 10.6687 10.9755 10.9755 10.9867 10.9867 15.0740 15.0740 k = 0.0000 0.0000 0.3078 ( 1727 PWs) bands (ev): -18.3498 -18.3498 -13.0052 -13.0052 -9.0379 -9.0379 -9.0370 -9.0370 -6.9401 -6.9401 -4.0534 -4.0534 -2.8230 -2.8230 -1.5516 -1.5516 -1.5494 -1.5494 -1.0864 -1.0864 2.0245 2.0245 2.3358 2.3358 4.6864 4.6864 4.6877 4.6877 10.6636 10.6636 10.9767 10.9767 10.9879 10.9879 15.0819 15.0819 k = 0.0000 0.0000 0.3181 ( 1727 PWs) bands (ev): -18.3496 -18.3496 -13.0061 -13.0061 -9.0378 -9.0378 -9.0369 -9.0369 -6.9400 -6.9400 -4.0524 -4.0524 -2.8242 -2.8242 -1.5517 -1.5517 -1.5495 -1.5495 -1.0870 -1.0870 2.0414 2.0414 2.3226 2.3226 4.6856 4.6856 4.6869 4.6869 10.6597 10.6597 10.9776 10.9776 10.9889 10.9889 15.0882 15.0882 k = 0.0000 0.0000 0.3284 ( 1723 PWs) bands (ev): -18.3494 -18.3494 -13.0066 -13.0066 -9.0378 -9.0378 -9.0369 -9.0369 -6.9399 -6.9399 -4.0517 -4.0517 -2.8251 -2.8251 -1.5518 -1.5518 -1.5496 -1.5496 -1.0873 -1.0873 2.0546 2.0546 2.3120 2.3120 4.6850 4.6850 4.6863 4.6863 10.6569 10.6569 10.9783 10.9783 10.9896 10.9896 15.0928 15.0928 k = 0.0000 0.0000 0.3386 ( 1722 PWs) bands (ev): -18.3493 -18.3493 -13.0070 -13.0070 -9.0378 -9.0378 -9.0368 -9.0368 -6.9398 -6.9398 -4.0512 -4.0512 -2.8256 -2.8256 -1.5519 -1.5519 -1.5497 -1.5497 -1.0876 -1.0876 2.0633 2.0633 2.3050 2.3050 4.6847 4.6847 4.6859 4.6859 10.6552 10.6552 10.9787 10.9787 10.9900 10.9900 15.0957 15.0957 k = 0.0000 0.0000 0.3489 ( 1714 PWs) bands (ev): -18.3492 -18.3492 -13.0071 -13.0071 -9.0377 -9.0377 -9.0368 -9.0368 -6.9397 -6.9397 -4.0511 -4.0511 -2.8258 -2.8258 -1.5519 -1.5519 -1.5497 -1.5497 -1.0877 -1.0877 2.0664 2.0664 2.3026 2.3026 4.6846 4.6846 4.6858 4.6858 10.6546 10.6546 10.9789 10.9789 10.9902 10.9902 15.0967 15.0967 k = 0.0000 0.0000 0.3489 ( 1714 PWs) bands (ev): -18.3492 -18.3492 -13.0071 -13.0071 -9.0377 -9.0377 -9.0368 -9.0368 -6.9397 -6.9397 -4.0511 -4.0511 -2.8258 -2.8258 -1.5519 -1.5519 -1.5497 -1.5497 -1.0877 -1.0877 2.0664 2.0664 2.3026 2.3026 4.6846 4.6846 4.6858 4.6858 10.6546 10.6546 10.9789 10.9789 10.9902 10.9902 15.0967 15.0967 k = 0.0000 0.0104 0.3489 ( 1718 PWs) bands (ev): -18.3482 -18.3482 -13.0080 -13.0080 -9.0449 -9.0447 -9.0367 -9.0367 -6.9316 -6.9315 -4.0549 -4.0547 -2.8240 -2.8239 -1.5559 -1.5556 -1.5528 -1.5528 -1.0819 -1.0817 2.0672 2.0676 2.3035 2.3037 4.6840 4.6842 4.6864 4.6864 10.6565 10.6566 10.9795 10.9798 10.9911 10.9912 15.0981 15.0983 k = 0.0000 0.0208 0.3489 ( 1726 PWs) bands (ev): -18.3450 -18.3450 -13.0107 -13.0107 -9.0669 -9.0667 -9.0352 -9.0351 -6.9074 -6.9071 -4.0659 -4.0656 -2.8185 -2.8183 -1.5684 -1.5674 -1.5608 -1.5606 -1.0654 -1.0650 2.0701 2.0710 2.3065 2.3068 4.6814 4.6816 4.6892 4.6894 10.6622 10.6622 10.9805 10.9809 10.9951 10.9954 15.1026 15.1029 k = 0.0000 0.0312 0.3489 ( 1730 PWs) bands (ev): -18.3398 -18.3398 -13.0153 -13.0152 -9.1023 -9.1020 -9.0325 -9.0324 -6.8684 -6.8680 -4.0842 -4.0836 -2.8093 -2.8090 -1.5872 -1.5856 -1.5734 -1.5730 -1.0400 -1.0395 2.0752 2.0766 2.3115 2.3119 4.6769 4.6772 4.6943 4.6946 10.6714 10.6715 10.9804 10.9808 11.0040 11.0047 15.1101 15.1106 k = 0.0000 0.0417 0.3489 ( 1732 PWs) bands (ev): -18.3324 -18.3324 -13.0217 -13.0217 -9.1493 -9.1488 -9.0287 -9.0286 -6.8162 -6.8157 -4.1095 -4.1088 -2.7964 -2.7959 -1.6097 -1.6078 -1.5906 -1.5900 -1.0084 -1.0079 2.0823 2.0841 2.3185 2.3191 4.6708 4.6711 4.7015 4.7019 10.6839 10.6840 10.9790 10.9794 11.0180 11.0191 15.1205 15.1212 k = 0.0000 0.0521 0.3489 ( 1736 PWs) bands (ev): -18.3230 -18.3230 -13.0302 -13.0302 -9.2058 -9.2053 -9.0239 -9.0238 -6.7529 -6.7523 -4.1416 -4.1407 -2.7799 -2.7793 -1.6338 -1.6317 -1.6123 -1.6116 -0.9727 -0.9723 2.0913 2.0935 2.3276 2.3283 4.6630 4.6634 4.7107 4.7112 10.6994 10.6995 10.9769 10.9772 11.0371 11.0385 15.1338 15.1347 k = 0.0000 0.0625 0.3489 ( 1728 PWs) bands (ev): -18.3114 -18.3114 -13.0409 -13.0408 -9.2697 -9.2691 -9.0181 -9.0179 -6.6805 -6.6798 -4.1801 -4.1791 -2.7598 -2.7591 -1.6581 -1.6558 -1.6382 -1.6373 -0.9349 -0.9346 2.1021 2.1047 2.3387 2.3396 4.6538 4.6543 4.7220 4.7226 10.7173 10.7174 10.9744 10.9747 11.0615 11.0633 15.1498 15.1509 k = 0.0000 0.0729 0.3489 ( 1728 PWs) bands (ev): -18.2977 -18.2977 -13.0538 -13.0537 -9.3391 -9.3385 -9.0114 -9.0111 -6.6011 -6.6003 -4.2247 -4.2236 -2.7363 -2.7355 -1.6815 -1.6791 -1.6678 -1.6669 -0.8965 -0.8964 2.1144 2.1174 2.3519 2.3529 4.6432 4.6439 4.7353 4.7360 10.7372 10.7373 10.9712 10.9716 11.0913 11.0934 15.1685 15.1697 k = 0.0000 0.0833 0.3489 ( 1730 PWs) bands (ev): -18.2820 -18.2820 -13.0692 -13.0691 -9.4121 -9.4115 -9.0037 -9.0034 -6.5162 -6.5154 -4.2751 -4.2738 -2.7095 -2.7086 -1.7033 -1.7023 -1.6999 -1.6994 -0.8587 -0.8586 2.1281 2.1314 2.3669 2.3681 4.6316 4.6323 4.7507 4.7515 10.7588 10.7589 10.9677 10.9681 11.1266 11.1292 15.1896 15.1910 k = 0.0000 0.0938 0.3489 ( 1734 PWs) bands (ev): -18.2641 -18.2641 -13.0873 -13.0872 -9.4873 -9.4866 -8.9952 -8.9948 -6.4276 -6.4267 -4.3307 -4.3294 -2.6798 -2.6788 -1.7371 -1.7357 -1.7228 -1.7201 -0.8224 -0.8220 2.1429 2.1466 2.3840 2.3853 4.6189 4.6197 4.7681 4.7690 10.7817 10.7817 10.9639 10.9643 11.1677 11.1706 15.2129 15.2145 k = 0.0000 0.1042 0.3489 ( 1734 PWs) bands (ev): -18.2442 -18.2442 -13.1083 -13.1081 -9.5631 -9.5624 -8.9858 -8.9854 -6.3365 -6.3355 -4.3910 -4.3896 -2.6475 -2.6463 -1.7749 -1.7735 -1.7400 -1.7373 -0.7881 -0.7876 2.1588 2.1628 2.4028 2.4042 4.6056 4.6065 4.7876 4.7886 10.8057 10.8057 10.9599 10.9604 11.2143 11.2176 15.2031 15.2071 k = 0.0000 0.1146 0.3489 ( 1734 PWs) bands (ev): -18.2222 -18.2221 -13.1323 -13.1322 -9.6384 -9.6376 -8.9757 -8.9753 -6.2440 -6.2430 -4.4555 -4.4542 -2.6131 -2.6119 -1.8140 -1.8126 -1.7547 -1.7521 -0.7566 -0.7558 2.1753 2.1796 2.4234 2.4249 4.5918 4.5928 4.8092 4.8102 10.8307 10.8307 10.9558 10.9563 11.2663 11.2699 15.1877 15.1919 k = 0.0000 0.1250 0.3489 ( 1734 PWs) bands (ev): -18.1980 -18.1980 -13.1597 -13.1595 -9.7121 -9.7113 -8.9650 -8.9645 -6.1513 -6.1502 -4.5238 -4.5224 -2.5776 -2.5763 -1.8531 -1.8517 -1.7669 -1.7643 -0.7280 -0.7270 2.1924 2.1970 2.4456 2.4472 4.5778 4.5789 4.8327 4.8338 10.8568 10.8568 10.9517 10.9522 11.3233 11.3272 15.1730 15.1775 k = 0.0000 0.1354 0.3489 ( 1734 PWs) bands (ev): -18.1719 -18.1718 -13.1906 -13.1904 -9.7834 -9.7825 -8.9537 -8.9532 -6.0590 -6.0579 -4.5952 -4.5938 -2.5424 -2.5409 -1.8904 -1.8890 -1.7766 -1.7741 -0.7028 -0.7016 2.2097 2.2145 2.4691 2.4708 4.5639 4.5651 4.8581 4.8593 10.8841 10.8841 10.9477 10.9483 11.3849 11.3891 15.1594 15.1640 k = 0.0000 0.1458 0.3489 ( 1732 PWs) bands (ev): -18.1436 -18.1436 -13.2253 -13.2251 -9.8514 -9.8505 -8.9419 -8.9414 -5.9681 -5.9669 -4.6691 -4.6677 -2.5096 -2.5079 -1.9235 -1.9221 -1.7841 -1.7817 -0.6811 -0.6796 2.2270 2.2319 2.4938 2.4955 4.5504 4.5517 4.8854 4.8867 10.9125 10.9125 10.9440 10.9448 11.4504 11.4548 15.1472 15.1520 k = 0.0000 0.1562 0.3489 ( 1728 PWs) bands (ev): -18.1133 -18.1132 -13.2639 -13.2637 -9.9155 -9.9146 -8.9298 -8.9292 -5.8791 -5.8779 -4.7450 -4.7437 -2.4820 -2.4803 -1.9491 -1.9478 -1.7893 -1.7871 -0.6630 -0.6613 2.2440 2.2491 2.5194 2.5212 4.5375 4.5389 4.9146 4.9159 10.9378 10.9379 10.9453 10.9462 11.5193 11.5240 15.1366 15.1416 k = 0.0000 0.1667 0.3489 ( 1724 PWs) bands (ev): -18.0809 -18.0809 -13.3066 -13.3064 -9.9751 -9.9742 -8.9175 -8.9169 -5.7926 -5.7914 -4.8225 -4.8212 -2.4638 -2.4619 -1.9631 -1.9618 -1.7928 -1.7907 -0.6484 -0.6464 2.2606 2.2659 2.5456 2.5474 4.5257 4.5272 4.9454 4.9468 10.9366 10.9372 10.9752 10.9755 11.5908 11.5958 15.1280 15.1331 k = 0.0000 0.1771 0.3489 ( 1724 PWs) bands (ev): -18.0465 -18.0464 -13.3535 -13.3533 -10.0298 -10.0289 -8.9051 -8.9045 -5.7093 -5.7081 -4.9010 -4.8997 -2.4584 -2.4564 -1.9615 -1.9603 -1.7945 -1.7926 -0.6374 -0.6352 2.2765 2.2819 2.5720 2.5739 4.5152 4.5168 4.9779 4.9793 10.9341 10.9348 11.0086 11.0089 11.6642 11.6693 15.1215 15.1267 k = 0.0000 0.1875 0.3489 ( 1726 PWs) bands (ev): -18.0100 -18.0099 -13.4047 -13.4045 -10.0792 -10.0782 -8.8928 -8.8921 -5.6295 -5.6283 -4.9799 -4.9786 -2.4676 -2.4655 -1.9426 -1.9414 -1.7949 -1.7931 -0.6297 -0.6273 2.2915 2.2969 2.5985 2.6004 4.5063 4.5081 5.0117 5.0133 10.9321 10.9329 11.0441 11.0445 11.7385 11.7439 15.1173 15.1225 k = 0.0000 0.1979 0.3489 ( 1728 PWs) bands (ev): -17.9715 -17.9714 -13.4602 -13.4600 -10.1230 -10.1220 -8.8808 -8.8801 -5.5537 -5.5525 -5.0587 -5.0575 -2.4897 -2.4876 -1.9077 -1.9065 -1.7941 -1.7925 -0.6251 -0.6225 2.3054 2.3109 2.6247 2.6266 4.4994 4.5013 5.0469 5.0485 10.9308 10.9317 11.0818 11.0822 11.8131 11.8187 15.1155 15.1208 k = 0.0000 0.2083 0.3489 ( 1732 PWs) bands (ev): -17.9309 -17.9309 -13.5200 -13.5198 -10.1610 -10.1601 -8.8693 -8.8685 -5.4824 -5.4812 -5.1370 -5.1358 -2.5214 -2.5193 -1.8598 -1.8586 -1.7925 -1.7911 -0.6234 -0.6205 2.3181 2.3237 2.6502 2.6521 4.4948 4.4968 5.0831 5.0848 10.9303 10.9312 11.1216 11.1221 11.8869 11.8926 15.1162 15.1216 k = 0.0000 0.2188 0.3489 ( 1728 PWs) bands (ev): -17.8883 -17.8883 -13.5840 -13.5837 -10.1933 -10.1923 -8.8584 -8.8576 -5.4159 -5.4148 -5.2141 -5.2131 -2.5593 -2.5572 -1.8024 -1.8014 -1.7901 -1.7891 -0.6241 -0.6210 2.3296 2.3351 2.6749 2.6768 4.4927 4.4949 5.1202 5.1219 10.9309 10.9319 11.1638 11.1644 11.9590 11.9649 15.1196 15.1250 k = 0.0000 0.2292 0.3489 ( 1724 PWs) bands (ev): -17.8438 -17.8437 -13.6520 -13.6517 -10.2196 -10.2186 -8.8484 -8.8476 -5.3547 -5.3536 -5.2897 -5.2887 -2.6004 -2.5984 -1.7884 -1.7874 -1.7375 -1.7363 -0.6270 -0.6236 2.3396 2.3451 2.6984 2.7003 4.4935 4.4958 5.1579 5.1597 10.9326 10.9337 11.2085 11.2091 12.0284 12.0343 15.1256 15.1309 k = 0.0000 0.2396 0.3489 ( 1724 PWs) bands (ev): -17.7972 -17.7971 -13.7239 -13.7236 -10.2401 -10.2391 -8.8396 -8.8387 -5.3635 -5.3626 -5.2989 -5.2979 -2.6426 -2.6408 -1.7864 -1.7856 -1.6681 -1.6669 -0.6316 -0.6280 2.3482 2.3536 2.7203 2.7222 4.4972 4.4998 5.1959 5.1978 10.9355 10.9367 11.2557 11.2564 12.0938 12.0998 15.1339 15.1392 k = 0.0000 0.2500 0.3489 ( 1732 PWs) bands (ev): -17.7486 -17.7486 -13.7994 -13.7992 -10.2549 -10.2539 -8.8321 -8.8312 -5.4347 -5.4338 -5.2492 -5.2482 -2.6844 -2.6826 -1.7849 -1.7843 -1.5953 -1.5941 -0.6375 -0.6337 2.3553 2.3606 2.7405 2.7424 4.5043 4.5070 5.2339 5.2358 10.9398 10.9409 11.3053 11.3061 12.1541 12.1601 15.1444 15.1497 k = 0.0000 0.2604 0.3489 ( 1732 PWs) bands (ev): -17.6981 -17.6980 -13.8783 -13.8781 -10.2641 -10.2631 -8.8264 -8.8254 -5.5029 -5.5021 -5.2057 -5.2047 -2.7244 -2.7227 -1.7844 -1.7840 -1.5202 -1.5190 -0.6442 -0.6402 2.3610 2.3662 2.7588 2.7606 4.5146 4.5175 5.2715 5.2735 10.9455 10.9468 11.3577 11.3585 12.2082 12.2143 15.1567 15.1620 k = 0.0000 0.2708 0.3489 ( 1736 PWs) bands (ev): -17.6456 -17.6455 -13.9604 -13.9601 -10.2680 -10.2670 -8.8225 -8.8215 -5.5677 -5.5669 -5.1688 -5.1679 -2.7615 -2.7599 -1.7852 -1.7850 -1.4439 -1.4428 -0.6513 -0.6471 2.3654 2.3705 2.7750 2.7768 4.5285 4.5315 5.3085 5.3105 10.9526 10.9540 11.4126 11.4136 12.2552 12.2612 15.1703 15.1754 k = 0.0000 0.2812 0.3489 ( 1736 PWs) bands (ev): -17.5911 -17.5910 -14.0452 -14.0450 -10.2667 -10.2656 -8.8209 -8.8199 -5.6286 -5.6280 -5.1387 -5.1379 -2.7949 -2.7934 -1.7877 -1.7876 -1.3672 -1.3662 -0.6582 -0.6538 2.3687 2.3736 2.7891 2.7908 4.5459 4.5491 5.3445 5.3466 10.9615 10.9629 11.4703 11.4713 12.2941 12.3000 15.1841 15.1891 k = 0.0000 0.2917 0.3489 ( 1728 PWs) bands (ev): -17.5347 -17.5346 -14.1326 -14.1324 -10.2605 -10.2594 -8.8218 -8.8207 -5.6853 -5.6847 -5.1156 -5.1149 -2.8238 -2.8224 -1.7924 -1.7922 -1.2907 -1.2898 -0.6644 -0.6599 2.3711 2.3759 2.8009 2.8025 4.5668 4.5702 5.3792 5.3813 10.9721 10.9736 11.5307 11.5318 12.3242 12.3299 15.1968 15.2016 k = 0.0000 0.3021 0.3489 ( 1732 PWs) bands (ev): -17.4763 -17.4763 -14.2222 -14.2220 -10.2496 -10.2485 -8.8255 -8.8243 -5.7374 -5.7369 -5.0998 -5.0992 -2.8478 -2.8465 -1.7995 -1.7991 -1.2153 -1.2145 -0.6698 -0.6651 2.3728 2.3773 2.8101 2.8117 4.5911 4.5946 5.4121 5.4143 10.9845 10.9860 11.5937 11.5950 12.3450 12.3505 15.2059 15.2104 k = 0.0000 0.3125 0.3489 ( 1724 PWs) bands (ev): -17.4161 -17.4161 -14.3138 -14.3135 -10.2343 -10.2332 -8.8321 -8.8309 -5.7844 -5.7839 -5.0911 -5.0906 -2.8664 -2.8652 -1.8093 -1.8087 -1.1416 -1.1409 -0.6737 -0.6688 2.3741 2.3784 2.8169 2.8185 4.6188 4.6225 5.4429 5.4452 10.9987 11.0004 11.6595 11.6609 12.3565 12.3618 15.2085 15.2126 k = 0.0000 0.3229 0.3489 ( 1724 PWs) bands (ev): -17.3540 -17.3539 -14.4070 -14.4067 -10.2148 -10.2138 -8.8420 -8.8408 -5.8262 -5.8257 -5.0897 -5.0892 -2.8792 -2.8781 -1.8220 -1.8213 -1.0702 -1.0696 -0.6759 -0.6709 2.3754 2.3794 2.8213 2.8227 4.6497 4.6535 5.4712 5.4736 11.0149 11.0166 11.7277 11.7293 12.3589 12.3638 15.1998 15.2033 k = 0.0000 0.3333 0.3489 ( 1728 PWs) bands (ev): -17.2900 -17.2899 -14.5015 -14.5013 -10.1915 -10.1904 -8.8553 -8.8541 -5.8623 -5.8619 -5.0952 -5.0948 -2.8862 -2.8852 -1.8378 -1.8370 -1.0016 -1.0012 -0.6762 -0.6711 2.3768 2.3806 2.8230 2.8244 4.6835 4.6876 5.4968 5.4993 11.0331 11.0348 11.7982 11.8000 12.3527 12.3572 15.1744 15.1773 k = 0.0000 0.3438 0.3489 ( 1732 PWs) bands (ev): -17.2242 -17.2241 -14.5972 -14.5970 -10.1646 -10.1635 -8.8722 -8.8709 -5.8927 -5.8924 -5.1073 -5.1071 -2.8873 -2.8864 -1.8569 -1.8560 -0.9365 -0.9362 -0.6744 -0.6693 2.3787 2.3823 2.8223 2.8237 4.7202 4.7244 5.5193 5.5219 11.0532 11.0551 11.8705 11.8726 12.3392 12.3431 15.1282 15.1304 k = 0.0000 0.3542 0.3489 ( 1732 PWs) bands (ev): -17.1565 -17.1564 -14.6937 -14.6935 -10.1342 -10.1331 -8.8926 -8.8913 -5.9172 -5.9168 -5.1257 -5.1255 -2.8827 -2.8819 -1.8792 -1.8781 -0.8750 -0.8750 -0.6704 -0.6653 2.3815 2.3848 2.8192 2.8205 4.7595 4.7637 5.5384 5.5411 11.0755 11.0774 11.9437 11.9463 12.3201 12.3234 15.0600 15.0616 k = 0.0000 0.3646 0.3489 ( 1728 PWs) bands (ev): -17.0870 -17.0870 -14.7909 -14.7907 -10.1007 -10.0996 -8.9168 -8.9154 -5.9355 -5.9353 -5.1498 -5.1497 -2.8727 -2.8719 -1.9046 -1.9035 -0.8180 -0.8178 -0.6644 -0.6593 2.3854 2.3884 2.8137 2.8150 4.8010 4.8053 5.5539 5.5568 11.0999 11.1019 12.0152 12.0187 12.2991 12.3012 14.9724 14.9735 k = 0.0000 0.3750 0.3489 ( 1728 PWs) bands (ev): -17.0158 -17.0157 -14.8885 -14.8883 -10.0644 -10.0633 -8.9445 -8.9431 -5.9480 -5.9477 -5.1790 -5.1789 -2.8575 -2.8568 -1.9330 -1.9319 -0.7655 -0.7651 -0.6564 -0.6513 2.3906 2.3934 2.8059 2.8071 4.8444 4.8489 5.5657 5.5686 11.1265 11.1286 12.0771 12.0821 12.2848 12.2853 14.8697 14.8706 k = 0.0000 0.3854 0.3489 ( 1724 PWs) bands (ev): -16.9428 -16.9427 -14.9864 -14.9862 -10.0253 -10.0242 -8.9757 -8.9744 -5.9544 -5.9542 -5.2127 -5.2126 -2.8376 -2.8369 -1.9644 -1.9633 -0.7179 -0.7173 -0.6466 -0.6416 2.3975 2.4000 2.7959 2.7970 4.8895 4.8940 5.5734 5.5764 11.1552 11.1574 12.1095 12.1159 12.2970 12.2982 14.7566 14.7574 k = 0.0000 0.3958 0.3489 ( 1724 PWs) bands (ev): -16.8681 -16.8680 -15.0842 -15.0841 -9.9838 -9.9827 -9.0104 -9.0090 -5.9550 -5.9548 -5.2502 -5.2501 -2.8133 -2.8128 -1.9984 -1.9973 -0.6754 -0.6745 -0.6353 -0.6304 2.4061 2.4083 2.7838 2.7848 4.9359 4.9405 5.5770 5.5801 11.1861 11.1883 12.0998 12.1061 12.3514 12.3526 14.6366 14.6372 k = 0.0000 0.4062 0.3489 ( 1730 PWs) bands (ev): -16.7917 -16.7916 -15.1820 -15.1818 -9.9401 -9.9389 -9.0482 -9.0468 -5.9500 -5.9498 -5.2909 -5.2908 -2.7853 -2.7847 -2.0348 -2.0337 -0.6381 -0.6370 -0.6229 -0.6180 2.4166 2.4185 2.7696 2.7706 4.9831 4.9877 5.5763 5.5796 11.2190 11.2214 12.0659 12.0716 12.4302 12.4310 14.5121 14.5127 k = 0.0000 0.4167 0.3489 ( 1730 PWs) bands (ev): -16.7136 -16.7135 -15.2795 -15.2793 -9.8944 -9.8932 -9.0889 -9.0875 -5.9397 -5.9394 -5.3341 -5.3339 -2.7538 -2.7533 -2.0733 -2.0723 -0.6096 -0.6059 -0.6052 -0.6041 2.4290 2.4306 2.7537 2.7546 5.0309 5.0356 5.5714 5.5748 11.2542 11.2566 12.0221 12.0271 12.5197 12.5200 14.3852 14.3857 k = 0.0000 0.4271 0.3489 ( 1730 PWs) bands (ev): -16.6339 -16.6338 -15.3765 -15.3764 -9.8469 -9.8457 -9.1322 -9.1308 -5.9241 -5.9239 -5.3792 -5.3790 -2.7193 -2.7188 -2.1137 -2.1127 -0.5957 -0.5911 -0.5790 -0.5773 2.4432 2.4446 2.7361 2.7369 5.0789 5.0836 5.5622 5.5657 11.2914 11.2939 11.9733 11.9780 12.6151 12.6152 14.2569 14.2575 k = 0.0000 0.4375 0.3489 ( 1738 PWs) bands (ev): -16.5527 -16.5526 -15.4730 -15.4729 -9.7978 -9.7966 -9.1779 -9.1766 -5.9039 -5.9036 -5.4256 -5.4254 -2.6823 -2.6818 -2.1557 -2.1548 -0.5817 -0.5773 -0.5572 -0.5553 2.4593 2.4605 2.7170 2.7177 5.1266 5.1313 5.5487 5.5524 11.3307 11.3333 11.9219 11.9262 12.7147 12.7148 14.1283 14.1289 k = 0.0000 0.4479 0.3489 ( 1738 PWs) bands (ev): -16.4698 -16.4697 -15.5689 -15.5687 -9.7474 -9.7462 -9.2257 -9.2243 -5.8791 -5.8789 -5.4727 -5.4725 -2.6430 -2.6425 -2.1990 -2.1981 -0.5681 -0.5638 -0.5402 -0.5381 2.4771 2.4780 2.6967 2.6973 5.1738 5.1784 5.5312 5.5349 11.3720 11.3747 11.8692 11.8732 12.8180 12.8182 14.0000 14.0006 k = 0.0000 0.4583 0.3489 ( 1738 PWs) bands (ev): -16.3855 -16.3854 -15.6639 -15.6638 -9.6960 -9.6947 -9.2752 -9.2738 -5.8503 -5.8501 -5.5201 -5.5198 -2.6019 -2.6013 -2.2433 -2.2425 -0.5551 -0.5510 -0.5279 -0.5255 2.4964 2.4971 2.6753 2.6758 5.2200 5.2245 5.5095 5.5134 11.4153 11.4181 11.8158 11.8196 12.9246 12.9249 13.8727 13.8733 k = 0.0000 0.4688 0.3489 ( 1730 PWs) bands (ev): -16.2998 -16.2997 -15.7581 -15.7579 -9.6436 -9.6424 -9.3260 -9.3247 -5.8177 -5.8175 -5.5671 -5.5668 -2.5592 -2.5586 -2.2884 -2.2876 -0.5433 -0.5393 -0.5199 -0.5173 2.5171 2.5176 2.6532 2.6536 5.2648 5.2693 5.4841 5.4881 11.4605 11.4634 11.7624 11.7661 13.0343 13.0347 13.7467 13.7473 k = 0.0000 0.4792 0.3489 ( 1736 PWs) bands (ev): -16.2126 -16.2125 -15.8512 -15.8511 -9.5906 -9.5894 -9.3780 -9.3767 -5.7819 -5.7817 -5.6134 -5.6131 -2.5154 -2.5148 -2.3339 -2.3332 -0.5330 -0.5293 -0.5161 -0.5132 2.5387 2.5390 2.6304 2.6307 5.3078 5.3122 5.4550 5.4591 11.5073 11.5103 11.7094 11.7128 13.1468 13.1473 13.6224 13.6230 k = 0.0000 0.4896 0.3489 ( 1736 PWs) bands (ev): -16.1241 -16.1240 -15.9434 -15.9432 -9.5373 -9.5361 -9.4307 -9.4294 -5.7431 -5.7429 -5.6584 -5.6582 -2.4706 -2.4700 -2.3797 -2.3790 -0.5247 -0.5212 -0.5158 -0.5127 2.5612 2.5613 2.6073 2.6075 5.3487 5.3530 5.4225 5.4268 11.5558 11.5589 11.6571 11.6604 13.2621 13.2626 13.5000 13.5006 k = 0.0000 0.5000 0.3489 ( 1740 PWs) bands (ev): -16.0344 -16.0344 -16.0342 -16.0342 -9.4839 -9.4839 -9.4827 -9.4827 -5.7018 -5.7018 -5.7016 -5.7016 -2.4253 -2.4253 -2.4247 -2.4247 -0.5189 -0.5189 -0.5155 -0.5155 2.5842 2.5842 2.5842 2.5842 5.3870 5.3870 5.3913 5.3913 11.6058 11.6058 11.6090 11.6090 13.3799 13.3799 13.3804 13.3804 k = 0.0000 0.5000 0.3489 ( 1740 PWs) bands (ev): -16.0344 -16.0344 -16.0342 -16.0342 -9.4839 -9.4839 -9.4827 -9.4827 -5.7018 -5.7018 -5.7016 -5.7016 -2.4253 -2.4253 -2.4247 -2.4247 -0.5189 -0.5189 -0.5155 -0.5155 2.5842 2.5842 2.5842 2.5842 5.3870 5.3870 5.3913 5.3913 11.6058 11.6058 11.6090 11.6090 13.3799 13.3799 13.3804 13.3804 k = 0.0104 0.5000 0.3489 ( 1736 PWs) bands (ev): -16.0334 -16.0334 -16.0333 -16.0333 -9.4870 -9.4870 -9.4857 -9.4857 -5.7030 -5.7030 -5.7028 -5.7028 -2.4202 -2.4202 -2.4196 -2.4196 -0.5208 -0.5208 -0.5175 -0.5175 2.5848 2.5848 2.5849 2.5849 5.3875 5.3875 5.3918 5.3918 11.6076 11.6076 11.6108 11.6108 13.3811 13.3811 13.3816 13.3816 k = 0.0208 0.5000 0.3489 ( 1732 PWs) bands (ev): -16.0305 -16.0305 -16.0303 -16.0303 -9.4960 -9.4960 -9.4947 -9.4947 -5.7066 -5.7066 -5.7064 -5.7064 -2.4050 -2.4050 -2.4043 -2.4043 -0.5267 -0.5267 -0.5233 -0.5233 2.5867 2.5867 2.5869 2.5869 5.3891 5.3891 5.3934 5.3934 11.6133 11.6133 11.6165 11.6165 13.3845 13.3845 13.3851 13.3851 k = 0.0312 0.5000 0.3489 ( 1728 PWs) bands (ev): -16.0256 -16.0256 -16.0255 -16.0255 -9.5110 -9.5110 -9.5098 -9.5098 -5.7124 -5.7124 -5.7122 -5.7122 -2.3800 -2.3800 -2.3793 -2.3793 -0.5362 -0.5362 -0.5329 -0.5329 2.5899 2.5899 2.5901 2.5901 5.3916 5.3916 5.3959 5.3959 11.6225 11.6225 11.6257 11.6257 13.3904 13.3904 13.3910 13.3910 k = 0.0417 0.5000 0.3489 ( 1728 PWs) bands (ev): -16.0188 -16.0188 -16.0187 -16.0187 -9.5320 -9.5320 -9.5307 -9.5307 -5.7200 -5.7200 -5.7198 -5.7198 -2.3457 -2.3457 -2.3450 -2.3450 -0.5494 -0.5494 -0.5461 -0.5461 2.5942 2.5942 2.5946 2.5946 5.3951 5.3951 5.3994 5.3994 11.6353 11.6353 11.6385 11.6385 13.3986 13.3986 13.3992 13.3992 k = 0.0521 0.5000 0.3489 ( 1732 PWs) bands (ev): -16.0101 -16.0101 -16.0100 -16.0100 -9.5588 -9.5588 -9.5576 -9.5576 -5.7292 -5.7292 -5.7290 -5.7290 -2.3028 -2.3028 -2.3021 -2.3021 -0.5659 -0.5659 -0.5626 -0.5626 2.5998 2.5998 2.6002 2.6002 5.3997 5.3997 5.4039 5.4039 11.6515 11.6515 11.6548 11.6548 13.4091 13.4091 13.4098 13.4098 k = 0.0625 0.5000 0.3489 ( 1732 PWs) bands (ev): -15.9994 -15.9994 -15.9993 -15.9993 -9.5914 -9.5914 -9.5902 -9.5902 -5.7393 -5.7393 -5.7391 -5.7391 -2.2523 -2.2523 -2.2515 -2.2515 -0.5853 -0.5853 -0.5819 -0.5819 2.6065 2.6065 2.6070 2.6070 5.4052 5.4052 5.4094 5.4094 11.6710 11.6710 11.6743 11.6743 13.4221 13.4221 13.4229 13.4229 k = 0.0729 0.5000 0.3489 ( 1732 PWs) bands (ev): -15.9868 -15.9868 -15.9867 -15.9867 -9.6296 -9.6296 -9.6284 -9.6284 -5.7500 -5.7500 -5.7498 -5.7498 -2.1951 -2.1951 -2.1943 -2.1943 -0.6070 -0.6070 -0.6036 -0.6036 2.6143 2.6143 2.6148 2.6148 5.4116 5.4116 5.4158 5.4158 11.6935 11.6935 11.6969 11.6969 13.4375 13.4375 13.4384 13.4384 k = 0.0833 0.5000 0.3489 ( 1732 PWs) bands (ev): -15.9723 -15.9723 -15.9722 -15.9722 -9.6733 -9.6733 -9.6721 -9.6721 -5.7607 -5.7607 -5.7605 -5.7605 -2.1326 -2.1326 -2.1317 -2.1317 -0.6303 -0.6303 -0.6268 -0.6268 2.6231 2.6231 2.6237 2.6237 5.4190 5.4190 5.4232 5.4232 11.7190 11.7190 11.7224 11.7224 13.4555 13.4555 13.4565 13.4565 k = 0.0938 0.5000 0.3489 ( 1728 PWs) bands (ev): -15.9559 -15.9559 -15.9558 -15.9558 -9.7223 -9.7223 -9.7211 -9.7211 -5.7709 -5.7709 -5.7707 -5.7707 -2.0662 -2.0662 -2.0652 -2.0652 -0.6543 -0.6543 -0.6508 -0.6508 2.6329 2.6329 2.6335 2.6335 5.4273 5.4273 5.4315 5.4315 11.7472 11.7472 11.7506 11.7506 13.4762 13.4762 13.4772 13.4772 k = 0.1042 0.5000 0.3489 ( 1728 PWs) bands (ev): -15.9376 -15.9376 -15.9375 -15.9375 -9.7764 -9.7764 -9.7752 -9.7752 -5.7803 -5.7803 -5.7800 -5.7800 -1.9977 -1.9977 -1.9966 -1.9966 -0.6778 -0.6778 -0.6742 -0.6742 2.6436 2.6436 2.6443 2.6443 5.4365 5.4365 5.4406 5.4406 11.7777 11.7777 11.7812 11.7812 13.4995 13.4995 13.5005 13.5005 k = 0.1146 0.5000 0.3489 ( 1724 PWs) bands (ev): -15.9174 -15.9174 -15.9173 -15.9173 -9.8353 -9.8353 -9.8342 -9.8342 -5.7882 -5.7882 -5.7880 -5.7880 -1.9293 -1.9293 -1.9281 -1.9281 -0.6990 -0.6990 -0.6953 -0.6953 2.6551 2.6551 2.6558 2.6558 5.4465 5.4465 5.4506 5.4506 11.8104 11.8104 11.8140 11.8140 13.5255 13.5255 13.5267 13.5267 k = 0.1250 0.5000 0.3489 ( 1720 PWs) bands (ev): -15.8954 -15.8954 -15.8952 -15.8952 -9.8989 -9.8989 -9.8978 -9.8978 -5.7946 -5.7946 -5.7943 -5.7943 -1.8636 -1.8636 -1.8622 -1.8622 -0.7159 -0.7159 -0.7122 -0.7122 2.6674 2.6674 2.6682 2.6682 5.4573 5.4573 5.4614 5.4614 11.8449 11.8449 11.8485 11.8485 13.5544 13.5544 13.5557 13.5557 k = 0.1354 0.5000 0.3489 ( 1724 PWs) bands (ev): -15.8714 -15.8714 -15.8713 -15.8713 -9.9668 -9.9668 -9.9657 -9.9657 -5.7990 -5.7990 -5.7987 -5.7987 -1.8037 -1.8037 -1.8022 -1.8022 -0.7259 -0.7259 -0.7221 -0.7221 2.6804 2.6804 2.6811 2.6811 5.4688 5.4688 5.4729 5.4729 11.8809 11.8809 11.8845 11.8845 13.5861 13.5861 13.5875 13.5875 k = 0.1458 0.5000 0.3489 ( 1728 PWs) bands (ev): -15.8457 -15.8457 -15.8455 -15.8455 -10.0388 -10.0388 -10.0377 -10.0377 -5.8012 -5.8012 -5.8009 -5.8009 -1.7532 -1.7532 -1.7516 -1.7516 -0.7257 -0.7257 -0.7219 -0.7219 2.6940 2.6940 2.6948 2.6948 5.4811 5.4811 5.4851 5.4851 11.9180 11.9180 11.9217 11.9217 13.6207 13.6207 13.6222 13.6222 k = 0.1562 0.5000 0.3489 ( 1724 PWs) bands (ev): -15.8181 -15.8181 -15.8179 -15.8179 -10.1146 -10.1146 -10.1135 -10.1135 -5.8009 -5.8009 -5.8007 -5.8007 -1.7156 -1.7156 -1.7139 -1.7139 -0.7122 -0.7122 -0.7084 -0.7084 2.7082 2.7082 2.7091 2.7091 5.4940 5.4940 5.4980 5.4980 11.9561 11.9561 11.9599 11.9599 13.6584 13.6584 13.6600 13.6600 k = 0.1667 0.5000 0.3489 ( 1724 PWs) bands (ev): -15.7887 -15.7887 -15.7885 -15.7885 -10.1938 -10.1938 -10.1927 -10.1927 -5.7982 -5.7982 -5.7979 -5.7979 -1.6935 -1.6935 -1.6918 -1.6918 -0.6831 -0.6831 -0.6794 -0.6794 2.7230 2.7230 2.7239 2.7239 5.5076 5.5076 5.5115 5.5115 11.9948 11.9948 11.9986 11.9986 13.6991 13.6991 13.7008 13.7008 k = 0.1771 0.5000 0.3489 ( 1720 PWs) bands (ev): -15.7575 -15.7575 -15.7574 -15.7574 -10.2762 -10.2762 -10.2752 -10.2752 -5.7928 -5.7928 -5.7926 -5.7926 -1.6882 -1.6882 -1.6865 -1.6865 -0.6374 -0.6374 -0.6339 -0.6339 2.7384 2.7384 2.7392 2.7392 5.5218 5.5218 5.5257 5.5257 12.0338 12.0338 12.0376 12.0376 13.7429 13.7429 13.7447 13.7447 k = 0.1875 0.5000 0.3489 ( 1716 PWs) bands (ev): -15.7246 -15.7246 -15.7244 -15.7244 -10.3614 -10.3614 -10.3604 -10.3604 -5.7848 -5.7848 -5.7845 -5.7845 -1.6990 -1.6990 -1.6974 -1.6974 -0.5763 -0.5763 -0.5730 -0.5730 2.7541 2.7541 2.7550 2.7550 5.5365 5.5365 5.5403 5.5403 12.0729 12.0729 12.0768 12.0768 13.7897 13.7897 13.7916 13.7916 k = 0.1979 0.5000 0.3489 ( 1712 PWs) bands (ev): -15.6900 -15.6900 -15.6898 -15.6898 -10.4492 -10.4492 -10.4482 -10.4482 -5.7740 -5.7740 -5.7738 -5.7738 -1.7241 -1.7241 -1.7225 -1.7225 -0.5019 -0.5019 -0.4987 -0.4987 2.7703 2.7703 2.7712 2.7712 5.5516 5.5516 5.5554 5.5554 12.1117 12.1117 12.1156 12.1156 13.8395 13.8395 13.8415 13.8415 k = 0.2083 0.5000 0.3489 ( 1716 PWs) bands (ev): -15.6536 -15.6536 -15.6535 -15.6535 -10.5392 -10.5392 -10.5382 -10.5382 -5.7606 -5.7606 -5.7604 -5.7604 -1.7609 -1.7609 -1.7594 -1.7594 -0.4170 -0.4170 -0.4140 -0.4140 2.7869 2.7869 2.7878 2.7878 5.5671 5.5671 5.5708 5.5708 12.1501 12.1501 12.1541 12.1541 13.8921 13.8921 13.8943 13.8943 k = 0.2188 0.5000 0.3489 ( 1720 PWs) bands (ev): -15.6157 -15.6157 -15.6155 -15.6155 -10.6311 -10.6311 -10.6301 -10.6301 -5.7446 -5.7446 -5.7443 -5.7443 -1.8072 -1.8072 -1.8057 -1.8057 -0.3242 -0.3242 -0.3214 -0.3214 2.8039 2.8039 2.8048 2.8048 5.5828 5.5828 5.5865 5.5865 12.1880 12.1880 12.1920 12.1920 13.9474 13.9474 13.9498 13.9498 k = 0.2292 0.5000 0.3489 ( 1716 PWs) bands (ev): -15.5761 -15.5761 -15.5759 -15.5759 -10.7246 -10.7246 -10.7237 -10.7237 -5.7259 -5.7259 -5.7256 -5.7256 -1.8608 -1.8608 -1.8594 -1.8594 -0.2257 -0.2257 -0.2231 -0.2231 2.8213 2.8213 2.8221 2.8221 5.5989 5.5989 5.6025 5.6025 12.2253 12.2253 12.2292 12.2292 14.0054 14.0054 14.0078 14.0078 k = 0.2396 0.5000 0.3489 ( 1720 PWs) bands (ev): -15.5349 -15.5349 -15.5347 -15.5347 -10.8194 -10.8194 -10.8185 -10.8185 -5.7047 -5.7047 -5.7044 -5.7044 -1.9202 -1.9202 -1.9188 -1.9188 -0.1235 -0.1235 -0.1211 -0.1211 2.8390 2.8390 2.8398 2.8398 5.6151 5.6151 5.6186 5.6186 12.2617 12.2617 12.2656 12.2656 14.0656 14.0656 14.0682 14.0682 k = 0.2500 0.5000 0.3489 ( 1720 PWs) bands (ev): -15.4923 -15.4923 -15.4920 -15.4920 -10.9153 -10.9153 -10.9144 -10.9144 -5.6810 -5.6810 -5.6807 -5.6807 -1.9841 -1.9841 -1.9827 -1.9827 -0.0191 -0.0191 -0.0168 -0.0168 2.8571 2.8571 2.8579 2.8579 5.6314 5.6314 5.6349 5.6349 12.2973 12.2973 12.3012 12.3012 14.1278 14.1278 14.1305 14.1305 k = 0.2604 0.5000 0.3489 ( 1720 PWs) bands (ev): -15.4481 -15.4481 -15.4479 -15.4479 -11.0119 -11.0119 -11.0111 -11.0111 -5.6550 -5.6550 -5.6547 -5.6547 -2.0514 -2.0514 -2.0500 -2.0500 0.0864 0.0864 0.0885 0.0885 2.8755 2.8755 2.8763 2.8763 5.6477 5.6477 5.6511 5.6511 12.3321 12.3321 12.3360 12.3360 14.1916 14.1916 14.1945 14.1945 k = 0.2708 0.5000 0.3489 ( 1724 PWs) bands (ev): -15.4027 -15.4027 -15.4024 -15.4024 -11.1090 -11.1090 -11.1082 -11.1082 -5.6268 -5.6268 -5.6265 -5.6265 -2.1214 -2.1214 -2.1201 -2.1201 0.1919 0.1919 0.1939 0.1939 2.8942 2.8942 2.8950 2.8950 5.6640 5.6640 5.6673 5.6673 12.3661 12.3661 12.3700 12.3700 14.2566 14.2566 14.2596 14.2596 k = 0.2812 0.5000 0.3489 ( 1728 PWs) bands (ev): -15.3559 -15.3559 -15.3556 -15.3556 -11.2063 -11.2063 -11.2055 -11.2055 -5.5965 -5.5965 -5.5961 -5.5961 -2.1935 -2.1935 -2.1921 -2.1921 0.2965 0.2965 0.2985 0.2985 2.9132 2.9132 2.9140 2.9140 5.6801 5.6801 5.6833 5.6833 12.3992 12.3992 12.4031 12.4031 14.3221 14.3221 14.3253 14.3253 k = 0.2917 0.5000 0.3489 ( 1728 PWs) bands (ev): -15.3079 -15.3079 -15.3076 -15.3076 -11.3035 -11.3035 -11.3028 -11.3028 -5.5641 -5.5641 -5.5637 -5.5637 -2.2670 -2.2670 -2.2656 -2.2656 0.3996 0.3996 0.4015 0.4015 2.9326 2.9326 2.9333 2.9333 5.6961 5.6961 5.6992 5.6992 12.4318 12.4318 12.4355 12.4355 14.3875 14.3875 14.3909 14.3909 k = 0.3021 0.5000 0.3489 ( 1724 PWs) bands (ev): -15.2588 -15.2588 -15.2585 -15.2585 -11.4004 -11.4004 -11.3996 -11.3996 -5.5299 -5.5299 -5.5295 -5.5295 -2.3415 -2.3415 -2.3401 -2.3401 0.5005 0.5005 0.5023 0.5023 2.9522 2.9522 2.9529 2.9529 5.7118 5.7118 5.7148 5.7148 12.4637 12.4637 12.4674 12.4674 14.4521 14.4521 14.4556 14.4556 k = 0.3125 0.5000 0.3489 ( 1728 PWs) bands (ev): -15.2087 -15.2087 -15.2084 -15.2084 -11.4966 -11.4966 -11.4959 -11.4959 -5.4941 -5.4941 -5.4937 -5.4937 -2.4165 -2.4165 -2.4153 -2.4153 0.5986 0.5986 0.6003 0.6003 2.9720 2.9720 2.9727 2.9727 5.7270 5.7270 5.7300 5.7300 12.4950 12.4950 12.4986 12.4986 14.5148 14.5148 14.5185 14.5185 k = 0.3229 0.5000 0.3489 ( 1732 PWs) bands (ev): -15.1577 -15.1577 -15.1575 -15.1575 -11.5919 -11.5919 -11.5912 -11.5912 -5.4567 -5.4567 -5.4563 -5.4563 -2.4918 -2.4918 -2.4905 -2.4905 0.6935 0.6935 0.6951 0.6951 2.9920 2.9920 2.9927 2.9927 5.7419 5.7419 5.7447 5.7447 12.5259 12.5259 12.5294 12.5294 14.5747 14.5747 14.5786 14.5786 k = 0.3333 0.5000 0.3489 ( 1728 PWs) bands (ev): -15.1061 -15.1061 -15.1058 -15.1058 -11.6860 -11.6860 -11.6854 -11.6854 -5.4180 -5.4180 -5.4175 -5.4175 -2.5668 -2.5668 -2.5656 -2.5656 0.7846 0.7846 0.7861 0.7861 3.0122 3.0122 3.0129 3.0129 5.7562 5.7562 5.7589 5.7589 12.5565 12.5565 12.5599 12.5599 14.6307 14.6307 14.6348 14.6348 k = 0.3438 0.5000 0.3489 ( 1728 PWs) bands (ev): -15.0539 -15.0539 -15.0537 -15.0537 -11.7786 -11.7786 -11.7780 -11.7780 -5.3781 -5.3781 -5.3777 -5.3777 -2.6414 -2.6414 -2.6402 -2.6402 0.8716 0.8716 0.8730 0.8730 3.0325 3.0325 3.0332 3.0332 5.7700 5.7700 5.7726 5.7726 12.5866 12.5866 12.5899 12.5899 14.6816 14.6816 14.6858 14.6858 k = 0.3542 0.5000 0.3489 ( 1728 PWs) bands (ev): -15.0015 -15.0015 -15.0013 -15.0013 -11.8694 -11.8694 -11.8688 -11.8688 -5.3374 -5.3374 -5.3370 -5.3370 -2.7150 -2.7150 -2.7138 -2.7138 0.9541 0.9541 0.9555 0.9555 3.0528 3.0528 3.0534 3.0534 5.7831 5.7831 5.7856 5.7856 12.6164 12.6164 12.6196 12.6196 14.7264 14.7264 14.7307 14.7307 k = 0.3646 0.5000 0.3489 ( 1724 PWs) bands (ev): -14.9490 -14.9490 -14.9488 -14.9488 -11.9579 -11.9579 -11.9573 -11.9573 -5.2961 -5.2961 -5.2956 -5.2956 -2.7873 -2.7873 -2.7862 -2.7862 1.0317 1.0317 1.0330 1.0330 3.0729 3.0729 3.0735 3.0735 5.7955 5.7955 5.7979 5.7979 12.6460 12.6460 12.6490 12.6490 14.7645 14.7645 14.7689 14.7689 k = 0.3750 0.5000 0.3489 ( 1724 PWs) bands (ev): -14.8968 -14.8968 -14.8966 -14.8966 -12.0439 -12.0439 -12.0433 -12.0433 -5.2545 -5.2545 -5.2540 -5.2540 -2.8579 -2.8579 -2.8569 -2.8569 1.1042 1.1042 1.1054 1.1054 3.0927 3.0927 3.0934 3.0934 5.8072 5.8072 5.8094 5.8094 12.6751 12.6751 12.6780 12.6780 14.7958 14.7958 14.8002 14.8002 k = 0.3854 0.5000 0.3489 ( 1728 PWs) bands (ev): -14.8453 -14.8453 -14.8450 -14.8450 -12.1268 -12.1268 -12.1263 -12.1263 -5.2129 -5.2129 -5.2124 -5.2124 -2.9265 -2.9265 -2.9255 -2.9255 1.1714 1.1714 1.1725 1.1725 3.1121 3.1121 3.1128 3.1128 5.8180 5.8180 5.8201 5.8201 12.7036 12.7036 12.7064 12.7064 14.8207 14.8207 14.8251 14.8251 k = 0.3958 0.5000 0.3489 ( 1732 PWs) bands (ev): -14.7947 -14.7947 -14.7945 -14.7945 -12.2062 -12.2062 -12.2057 -12.2057 -5.1717 -5.1717 -5.1713 -5.1713 -2.9925 -2.9925 -2.9915 -2.9915 1.2330 1.2330 1.2340 1.2340 3.1309 3.1309 3.1315 3.1315 5.8280 5.8280 5.8299 5.8299 12.7316 12.7316 12.7342 12.7342 14.8400 14.8400 14.8443 14.8443 k = 0.4062 0.5000 0.3489 ( 1736 PWs) bands (ev): -14.7457 -14.7457 -14.7455 -14.7455 -12.2815 -12.2815 -12.2811 -12.2811 -5.1315 -5.1315 -5.1310 -5.1310 -3.0554 -3.0554 -3.0545 -3.0545 1.2889 1.2889 1.2899 1.2899 3.1489 3.1489 3.1495 3.1495 5.8372 5.8372 5.8389 5.8389 12.7586 12.7586 12.7610 12.7610 14.8548 14.8548 14.8591 14.8591 k = 0.4167 0.5000 0.3489 ( 1736 PWs) bands (ev): -14.6987 -14.6987 -14.6985 -14.6985 -12.3522 -12.3522 -12.3517 -12.3517 -5.0926 -5.0926 -5.0922 -5.0922 -3.1146 -3.1146 -3.1137 -3.1137 1.3391 1.3391 1.3400 1.3400 3.1658 3.1658 3.1664 3.1664 5.8454 5.8454 5.8470 5.8470 12.7844 12.7844 12.7866 12.7866 14.8662 14.8662 14.8705 14.8705 k = 0.4271 0.5000 0.3489 ( 1744 PWs) bands (ev): -14.6545 -14.6545 -14.6543 -14.6543 -12.4174 -12.4174 -12.4171 -12.4171 -5.0558 -5.0558 -5.0554 -5.0554 -3.1695 -3.1695 -3.1687 -3.1687 1.3834 1.3834 1.3842 1.3842 3.1815 3.1815 3.1820 3.1820 5.8527 5.8527 5.8541 5.8541 12.8086 12.8086 12.8106 12.8106 14.8753 14.8753 14.8795 14.8795 k = 0.4375 0.5000 0.3489 ( 1744 PWs) bands (ev): -14.6137 -14.6137 -14.6135 -14.6135 -12.4765 -12.4765 -12.4762 -12.4762 -5.0216 -5.0216 -5.0212 -5.0212 -3.2194 -3.2194 -3.2187 -3.2187 1.4219 1.4219 1.4226 1.4226 3.1957 3.1957 3.1961 3.1961 5.8591 5.8591 5.8603 5.8603 12.8309 12.8309 12.8327 12.8327 14.8830 14.8830 14.8872 14.8872 k = 0.4479 0.5000 0.3489 ( 1744 PWs) bands (ev): -14.5771 -14.5771 -14.5769 -14.5769 -12.5286 -12.5286 -12.5284 -12.5284 -4.9908 -4.9908 -4.9905 -4.9905 -3.2635 -3.2635 -3.2629 -3.2629 1.4544 1.4544 1.4550 1.4550 3.2082 3.2082 3.2085 3.2085 5.8645 5.8645 5.8655 5.8655 12.8510 12.8510 12.8524 12.8524 14.8900 14.8900 14.8942 14.8942 k = 0.4583 0.5000 0.3489 ( 1744 PWs) bands (ev): -14.5456 -14.5456 -14.5454 -14.5454 -12.5729 -12.5729 -12.5727 -12.5727 -4.9641 -4.9641 -4.9638 -4.9638 -3.3011 -3.3011 -3.3006 -3.3006 1.4810 1.4810 1.4814 1.4814 3.2187 3.2187 3.2190 3.2190 5.8690 5.8690 5.8698 5.8698 12.8682 12.8682 12.8694 12.8694 14.8969 14.8969 14.9009 14.9009 k = 0.4688 0.5000 0.3489 ( 1744 PWs) bands (ev): -14.5199 -14.5199 -14.5198 -14.5198 -12.6085 -12.6085 -12.6083 -12.6083 -4.9424 -4.9424 -4.9421 -4.9421 -3.3313 -3.3313 -3.3309 -3.3309 1.5016 1.5016 1.5020 1.5020 3.2271 3.2271 3.2273 3.2273 5.8725 5.8725 5.8731 5.8731 12.8821 12.8821 12.8830 12.8830 14.9039 14.9039 14.9076 14.9076 k = 0.4792 0.5000 0.3489 ( 1744 PWs) bands (ev): -14.5010 -14.5010 -14.5009 -14.5009 -12.6345 -12.6345 -12.6344 -12.6344 -4.9262 -4.9262 -4.9261 -4.9261 -3.3535 -3.3535 -3.3532 -3.3532 1.5164 1.5164 1.5166 1.5166 3.2333 3.2333 3.2334 3.2334 5.8750 5.8750 5.8754 5.8754 12.8925 12.8925 12.8931 12.8931 14.9109 14.9109 14.9140 14.9140 k = 0.4896 0.5000 0.3489 ( 1752 PWs) bands (ev): -14.4893 -14.4893 -14.4893 -14.4893 -12.6504 -12.6504 -12.6504 -12.6504 -4.9163 -4.9163 -4.9162 -4.9162 -3.3671 -3.3671 -3.3669 -3.3669 1.5252 1.5252 1.5254 1.5254 3.2370 3.2370 3.2370 3.2370 5.8766 5.8766 5.8768 5.8768 12.8988 12.8988 12.8991 12.8991 14.9168 14.9168 14.9186 14.9186 k = 0.5000 0.5000 0.3489 ( 1768 PWs) bands (ev): -14.4854 -14.4854 -14.4854 -14.4854 -12.6558 -12.6558 -12.6558 -12.6558 -4.9129 -4.9129 -4.9129 -4.9129 -3.3716 -3.3716 -3.3716 -3.3716 1.5282 1.5282 1.5282 1.5282 3.2381 3.2381 3.2381 3.2381 5.8769 5.8769 5.8769 5.8769 12.9009 12.9009 12.9009 12.9009 14.9197 14.9197 14.9197 14.9197 k = 0.5000 0.5000 0.3489 ( 1768 PWs) bands (ev): -14.4854 -14.4854 -14.4854 -14.4854 -12.6558 -12.6558 -12.6558 -12.6558 -4.9129 -4.9129 -4.9129 -4.9129 -3.3716 -3.3716 -3.3716 -3.3716 1.5282 1.5282 1.5282 1.5282 3.2381 3.2381 3.2381 3.2381 5.8769 5.8769 5.8769 5.8769 12.9009 12.9009 12.9009 12.9009 14.9197 14.9197 14.9197 14.9197 k = 0.4926 0.4926 0.3489 ( 1752 PWs) bands (ev): -14.4939 -14.4939 -14.4847 -14.4847 -12.6548 -12.6548 -12.6461 -12.6461 -4.9203 -4.9203 -4.9122 -4.9121 -3.3710 -3.3709 -3.3631 -3.3631 1.5237 1.5238 1.5268 1.5269 3.2358 3.2359 3.2381 3.2381 5.8757 5.8758 5.8775 5.8777 12.8942 12.8945 12.9035 12.9036 14.9144 14.9168 14.9194 14.9201 k = 0.4853 0.4853 0.3489 ( 1746 PWs) bands (ev): -14.5188 -14.5188 -14.4827 -14.4826 -12.6518 -12.6517 -12.6176 -12.6176 -4.9420 -4.9419 -4.9099 -4.9099 -3.3691 -3.3690 -3.3382 -3.3381 1.5103 1.5105 1.5226 1.5228 3.2287 3.2289 3.2377 3.2378 5.8715 5.8716 5.8786 5.8792 12.8744 12.8749 12.9111 12.9113 14.9031 14.9068 14.9186 14.9200 k = 0.4779 0.4779 0.3489 ( 1746 PWs) bands (ev): -14.5588 -14.5588 -14.4793 -14.4792 -12.6468 -12.6467 -12.5719 -12.5718 -4.9766 -4.9765 -4.9063 -4.9062 -3.3660 -3.3658 -3.2981 -3.2981 1.4881 1.4884 1.5157 1.5159 3.2169 3.2172 3.2371 3.2372 5.8644 5.8646 5.8806 5.8815 12.8426 12.8433 12.9237 12.9239 14.8883 14.8924 14.9168 14.9188 k = 0.4706 0.4706 0.3489 ( 1742 PWs) bands (ev): -14.6117 -14.6117 -14.4745 -14.4745 -12.6398 -12.6397 -12.5109 -12.5108 -5.0222 -5.0221 -4.9012 -4.9011 -3.3616 -3.3614 -3.2450 -3.2450 1.4571 1.4575 1.5062 1.5065 3.2005 3.2009 3.2362 3.2364 5.8545 5.8547 5.8833 5.8845 12.8003 12.8013 12.9412 12.9415 14.8708 14.8750 14.9135 14.9160 k = 0.4632 0.4632 0.3489 ( 1742 PWs) bands (ev): -14.6754 -14.6753 -14.4684 -14.4683 -12.6308 -12.6307 -12.4368 -12.4367 -5.0768 -5.0766 -4.8946 -4.8945 -3.3560 -3.3557 -3.1807 -3.1807 1.4177 1.4181 1.4940 1.4943 3.1797 3.1802 3.2351 3.2353 5.8418 5.8420 5.8868 5.8882 12.7496 12.7507 12.9632 12.9636 14.8507 14.8548 14.9082 14.9111 k = 0.4559 0.4559 0.3489 ( 1742 PWs) bands (ev): -14.7476 -14.7475 -14.4609 -14.4609 -12.6198 -12.6197 -12.3520 -12.3519 -5.1383 -5.1382 -4.8866 -4.8865 -3.3492 -3.3488 -3.1075 -3.1075 1.3700 1.3705 1.4791 1.4795 3.1545 3.1551 3.2336 3.2339 5.8262 5.8265 5.8909 5.8926 12.6921 12.6934 12.9896 12.9901 14.8281 14.8320 14.9007 14.9040 k = 0.4485 0.4485 0.3489 ( 1738 PWs) bands (ev): -14.8265 -14.8264 -14.4522 -14.4521 -12.6068 -12.6067 -12.2582 -12.2581 -5.2050 -5.2049 -4.8772 -4.8771 -3.3411 -3.3407 -3.0269 -3.0268 1.3143 1.3149 1.4617 1.4621 3.1252 3.1259 3.2319 3.2323 5.8078 5.8081 5.8954 5.8974 12.6297 12.6310 13.0201 13.0207 14.8028 14.8066 14.8909 14.8945 k = 0.4412 0.4412 0.3489 ( 1734 PWs) bands (ev): -14.9106 -14.9105 -14.4420 -14.4420 -12.5918 -12.5918 -12.1572 -12.1571 -5.2755 -5.2753 -4.8664 -4.8663 -3.3318 -3.3313 -2.9405 -2.9405 1.2510 1.2517 1.4418 1.4423 3.0918 3.0926 3.2298 3.2302 5.7864 5.7869 5.9004 5.9025 12.5637 12.5651 13.0543 13.0549 14.7750 14.7785 14.8786 14.8824 k = 0.4338 0.4338 0.3489 ( 1738 PWs) bands (ev): -14.9984 -14.9984 -14.4306 -14.4305 -12.5749 -12.5748 -12.0504 -12.0502 -5.3485 -5.3483 -4.8543 -4.8541 -3.3214 -3.3208 -2.8497 -2.8497 1.1803 1.1810 1.4195 1.4200 3.0547 3.0556 3.2272 3.2277 5.7623 5.7629 5.9056 5.9079 12.4954 12.4969 13.0917 13.0924 14.7446 14.7478 14.8636 14.8675 k = 0.4265 0.4265 0.3489 ( 1738 PWs) bands (ev): -15.0891 -15.0890 -14.4179 -14.4178 -12.5559 -12.5558 -11.9387 -11.9386 -5.4230 -5.4228 -4.8408 -4.8406 -3.3097 -3.3090 -2.7554 -2.7553 1.1027 1.1035 1.3949 1.3955 3.0140 3.0150 3.2243 3.2248 5.7354 5.7360 5.9109 5.9134 12.4257 12.4273 13.1318 13.1325 14.7117 14.7147 14.8458 14.8498 k = 0.4191 0.4191 0.3489 ( 1730 PWs) bands (ev): -15.1817 -15.1816 -14.4039 -14.4038 -12.5350 -12.5349 -11.8232 -11.8230 -5.4982 -5.4980 -4.8260 -4.8258 -3.2968 -3.2961 -2.6586 -2.6584 1.0185 1.0194 1.3682 1.3688 2.9701 2.9712 3.2209 3.2215 5.7058 5.7065 5.9161 5.9189 12.3557 12.3572 13.1741 13.1748 14.6766 14.6793 14.8250 14.8291 k = 0.4118 0.4118 0.3489 ( 1722 PWs) bands (ev): -15.2756 -15.2755 -14.3887 -14.3886 -12.5120 -12.5119 -11.7045 -11.7044 -5.5734 -5.5733 -4.8100 -4.8097 -3.2828 -3.2821 -2.5598 -2.5596 0.9283 0.9292 1.3393 1.3400 2.9232 2.9244 3.2171 3.2177 5.6735 5.6744 5.9212 5.9242 12.2858 12.2872 13.2175 13.2183 14.6392 14.6417 14.8012 14.8053 k = 0.4044 0.4044 0.3489 ( 1722 PWs) bands (ev): -15.3702 -15.3702 -14.3722 -14.3721 -12.4871 -12.4870 -11.5835 -11.5833 -5.6482 -5.6480 -4.7928 -4.7925 -3.2677 -3.2669 -2.4599 -2.4597 0.8323 0.8331 1.3084 1.3091 2.8735 2.8748 3.2126 3.2132 5.6388 5.6398 5.9260 5.9291 12.2164 12.2179 13.2612 13.2620 14.5997 14.6018 14.7742 14.7781 k = 0.3971 0.3971 0.3489 ( 1720 PWs) bands (ev): -15.4652 -15.4651 -14.3545 -14.3544 -12.4603 -12.4601 -11.4605 -11.4604 -5.7219 -5.7218 -4.7744 -4.7740 -3.2515 -3.2506 -2.3594 -2.3591 0.7309 0.7318 1.2756 1.2764 2.8215 2.8228 3.2075 3.2082 5.6015 5.6027 5.9304 5.9336 12.1480 12.1494 13.3041 13.3048 14.5581 14.5599 14.7440 14.7478 k = 0.3897 0.3897 0.3489 ( 1724 PWs) bands (ev): -15.5602 -15.5601 -14.3356 -14.3355 -12.4314 -12.4313 -11.3362 -11.3360 -5.7942 -5.7941 -4.7549 -4.7545 -3.2342 -3.2332 -2.2588 -2.2585 0.6246 0.6255 1.2411 1.2419 2.7674 2.7688 3.2017 3.2025 5.5621 5.5635 5.9340 5.9374 12.0807 12.0820 13.3445 13.3452 14.5143 14.5156 14.7109 14.7144 k = 0.3824 0.3824 0.3489 ( 1722 PWs) bands (ev): -15.6549 -15.6548 -14.3155 -14.3154 -12.4006 -12.4005 -11.2109 -11.2108 -5.8646 -5.8645 -4.7344 -4.7340 -3.2158 -3.2148 -2.1586 -2.1582 0.5140 0.5148 1.2049 1.2057 2.7115 2.7131 3.1952 3.1960 5.5207 5.5222 5.9370 5.9405 12.0149 12.0162 13.3805 13.3812 14.4682 14.4690 14.6649 14.6660 k = 0.3750 0.3750 0.3489 ( 1726 PWs) bands (ev): -15.7491 -15.7490 -14.2944 -14.2942 -12.3679 -12.3677 -11.0852 -11.0850 -5.9328 -5.9326 -4.7129 -4.7125 -3.1965 -3.1954 -2.0594 -2.0589 0.3991 0.4000 1.1671 1.1680 2.6544 2.6560 3.1879 3.1888 5.4774 5.4791 5.9391 5.9427 11.9504 11.9516 13.4099 13.4104 14.4195 14.4197 14.6037 14.6051 k = 0.3676 0.3676 0.3489 ( 1730 PWs) bands (ev): -15.8425 -15.8424 -14.2721 -14.2719 -12.3331 -12.3330 -10.9593 -10.9591 -5.9983 -5.9982 -4.6906 -4.6902 -3.1762 -3.1750 -1.9616 -1.9610 0.2808 0.2816 1.1279 1.1288 2.5963 2.5981 3.1798 3.1807 5.4325 5.4344 5.9401 5.9438 11.8875 11.8886 13.4298 13.4302 14.3673 14.3677 14.5515 14.5531 k = 0.3603 0.3603 0.3489 ( 1734 PWs) bands (ev): -15.9351 -15.9350 -14.2487 -14.2485 -12.2965 -12.2963 -10.8337 -10.8335 -6.0610 -6.0609 -4.6676 -4.6672 -3.1549 -3.1536 -1.8656 -1.8649 0.1592 0.1601 1.0873 1.0883 2.5378 2.5397 3.1707 3.1717 5.3863 5.3883 5.9401 5.9438 11.8260 11.8271 13.4372 13.4375 14.3114 14.3125 14.5116 14.5134 k = 0.3529 0.3529 0.3489 ( 1734 PWs) bands (ev): -16.0266 -16.0265 -14.2242 -14.2241 -12.2578 -12.2577 -10.7088 -10.7086 -6.1202 -6.1202 -4.6439 -4.6435 -3.1326 -3.1313 -1.7720 -1.7713 0.0350 0.0358 1.0456 1.0466 2.4792 2.4813 3.1607 3.1617 5.3389 5.3412 5.9388 5.9426 11.7661 11.7671 13.4299 13.4301 14.2517 14.2534 14.4868 14.4889 k = 0.3456 0.3456 0.3489 ( 1734 PWs) bands (ev): -16.1170 -16.1169 -14.1988 -14.1986 -12.2173 -12.2171 -10.5850 -10.5848 -6.1758 -6.1758 -4.6198 -4.6192 -3.1096 -3.1081 -1.6814 -1.6805 -0.0916 -0.0909 1.0027 1.0037 2.4212 2.4234 3.1497 3.1508 5.2907 5.2932 5.9362 5.9401 11.7078 11.7086 13.4065 13.4066 14.1879 14.1902 14.4786 14.4810 k = 0.3382 0.3382 0.3489 ( 1740 PWs) bands (ev): -16.2062 -16.2061 -14.1724 -14.1722 -12.1748 -12.1746 -10.4628 -10.4626 -6.2274 -6.2273 -4.5952 -4.5947 -3.0857 -3.0841 -1.5943 -1.5933 -0.2201 -0.2194 0.9588 0.9599 2.3641 2.3665 3.1376 3.1387 5.2419 5.2445 5.9321 5.9360 11.6508 11.6515 13.3674 13.3674 14.1198 14.1226 14.4550 14.4558 k = 0.3309 0.3309 0.3489 ( 1738 PWs) bands (ev): -16.2940 -16.2940 -14.1451 -14.1449 -12.1304 -12.1302 -10.3426 -10.3423 -6.2744 -6.2744 -4.5705 -4.5699 -3.0610 -3.0594 -1.5112 -1.5101 -0.3501 -0.3494 0.9141 0.9151 2.3087 2.3112 3.1245 3.1256 5.1927 5.1955 5.9265 5.9304 11.5954 11.5960 13.3145 13.3145 14.0479 14.0511 14.4240 14.4253 k = 0.3235 0.3235 0.3489 ( 1734 PWs) bands (ev): -16.3805 -16.3804 -14.1169 -14.1167 -12.0841 -12.0838 -10.2248 -10.2246 -6.3166 -6.3166 -4.5459 -4.5452 -3.0355 -3.0338 -1.4327 -1.4314 -0.4809 -0.4804 0.8685 0.8696 2.2554 2.2581 3.1102 3.1114 5.1435 5.1466 5.9193 5.9233 11.5414 11.5420 13.2504 13.2504 13.9722 13.9758 14.3961 14.3978 k = 0.3162 0.3162 0.3489 ( 1734 PWs) bands (ev): -16.4655 -16.4654 -14.0879 -14.0877 -12.0358 -12.0356 -10.1101 -10.1099 -6.3534 -6.3534 -4.5215 -4.5208 -3.0094 -3.0077 -1.3596 -1.3582 -0.6124 -0.6119 0.8222 0.8233 2.2050 2.2079 3.0948 3.0960 5.0944 5.0977 5.9104 5.9144 11.4889 11.4894 13.1776 13.1776 13.8931 13.8970 14.3714 14.3736 k = 0.3088 0.3088 0.3489 ( 1738 PWs) bands (ev): -16.5489 -16.5488 -14.0581 -14.0579 -11.9857 -11.9855 -9.9990 -9.9988 -6.3844 -6.3844 -4.4977 -4.4969 -2.9827 -2.9809 -1.2925 -1.2909 -0.7439 -0.7435 0.7752 0.7764 2.1580 2.1611 3.0782 3.0794 5.0457 5.0491 5.8996 5.9036 11.4379 11.4382 13.0986 13.0986 13.8109 13.8150 14.3501 14.3525 k = 0.3015 0.3015 0.3489 ( 1734 PWs) bands (ev): -16.6308 -16.6307 -14.0276 -14.0273 -11.9337 -11.9334 -9.8919 -9.8917 -6.4091 -6.4091 -4.4747 -4.4739 -2.9554 -2.9535 -1.2319 -1.2301 -0.8749 -0.8745 0.7278 0.7289 2.1152 2.1185 3.0604 3.0617 4.9976 5.0012 5.8871 5.8911 11.3884 11.3887 13.0153 13.0154 13.7262 13.7304 14.3322 14.3349 k = 0.2941 0.2941 0.3489 ( 1738 PWs) bands (ev): -16.7110 -16.7110 -13.9964 -13.9961 -11.8798 -11.8796 -9.7896 -9.7894 -6.4271 -6.4270 -4.4529 -4.4521 -2.9277 -2.9257 -1.1785 -1.1765 -1.0048 -1.0045 0.6797 0.6809 2.0771 2.0805 3.0414 3.0427 4.9502 4.9540 5.8726 5.8766 11.3405 11.3406 12.9291 12.9292 13.6390 13.6434 14.3176 14.3205 k = 0.2868 0.2868 0.3489 ( 1738 PWs) bands (ev): -16.7896 -16.7895 -13.9645 -13.9643 -11.8241 -11.8238 -9.6924 -9.6922 -6.4377 -6.4376 -4.4329 -4.4320 -2.8996 -2.8974 -1.1332 -1.1328 -1.1327 -1.1307 0.6314 0.6326 2.0442 2.0479 3.0214 3.0227 4.9039 4.9078 5.8563 5.8603 11.2941 11.2942 12.8413 12.8415 13.5499 13.5544 14.3063 14.3094 k = 0.2794 0.2794 0.3489 ( 1738 PWs) bands (ev): -16.8665 -16.8664 -13.9321 -13.9319 -11.7666 -11.7663 -9.6011 -9.6009 -6.4406 -6.4404 -4.4150 -4.4140 -2.8711 -2.8689 -1.2590 -1.2588 -1.0955 -1.0931 0.5827 0.5839 2.0172 2.0211 3.0003 3.0016 4.8587 4.8628 5.8380 5.8419 11.2494 11.2494 12.7528 12.7530 13.4592 13.4637 14.2985 14.3017 k = 0.2721 0.2721 0.3489 ( 1742 PWs) bands (ev): -16.9416 -16.9416 -13.8992 -13.8990 -11.7072 -11.7069 -9.5160 -9.5158 -6.4354 -6.4352 -4.3998 -4.3987 -2.8424 -2.8400 -1.3818 -1.3818 -1.0667 -1.0642 0.5338 0.5350 1.9963 2.0004 2.9781 2.9794 4.8148 4.8190 5.8177 5.8216 11.2063 11.2064 12.6642 12.6645 13.3670 13.3716 14.2939 14.2972 k = 0.2647 0.2647 0.3489 ( 1742 PWs) bands (ev): -17.0150 -17.0149 -13.8659 -13.8656 -11.6460 -11.6457 -9.4376 -9.4374 -6.4217 -6.4214 -4.3880 -4.3869 -2.8135 -2.8111 -1.5009 -1.5008 -1.0467 -1.0440 0.4848 0.4860 1.9817 1.9860 2.9550 2.9564 4.7723 4.7767 5.7955 5.7994 11.1651 11.1653 12.5762 12.5765 13.2738 13.2784 14.2926 14.2960 k = 0.2574 0.2574 0.3489 ( 1738 PWs) bands (ev): -17.0866 -17.0865 -13.8322 -13.8319 -11.5830 -11.5827 -9.3662 -9.3660 -6.3993 -6.3990 -4.3803 -4.3791 -2.7845 -2.7820 -1.6152 -1.6151 -1.0355 -1.0327 0.4357 0.4369 1.9736 1.9781 2.9312 2.9325 4.7315 4.7359 5.7713 5.7752 11.1257 11.1260 12.4893 12.4896 13.1797 13.1843 14.2947 14.2982 k = 0.2500 0.2500 0.3489 ( 1738 PWs) bands (ev): -17.1563 -17.1563 -13.7982 -13.7979 -11.5182 -11.5179 -9.3021 -9.3019 -6.3682 -6.3678 -4.3776 -4.3763 -2.7556 -2.7530 -1.7240 -1.7237 -1.0330 -1.0301 0.3864 0.3876 1.9717 1.9764 2.9065 2.9078 4.6923 4.6968 5.7452 5.7490 11.0883 11.0887 12.4037 12.4040 13.0849 13.0896 14.3001 14.3036 k = 0.2426 0.2426 0.3489 ( 1738 PWs) bands (ev): -17.2243 -17.2242 -13.7639 -13.7637 -11.4517 -11.4514 -9.2452 -9.2450 -6.3283 -6.3279 -4.3807 -4.3793 -2.7270 -2.7243 -1.8260 -1.8256 -1.0389 -1.0358 0.3371 0.3383 1.9757 1.9806 2.8812 2.8825 4.6550 4.6596 5.7172 5.7209 11.0528 11.0533 12.3198 12.3201 12.9897 12.9943 14.3086 14.3122 k = 0.2353 0.2353 0.3489 ( 1742 PWs) bands (ev): -17.2903 -17.2903 -13.7295 -13.7293 -11.3835 -11.3831 -9.1955 -9.1954 -6.2801 -6.2796 -4.3906 -4.3891 -2.6987 -2.6959 -1.9204 -1.9198 -1.0527 -1.0495 0.2878 0.2890 1.9851 1.9901 2.8553 2.8566 4.6196 4.6242 5.6873 5.6910 11.0195 11.0200 12.2377 12.2381 12.8942 12.8989 14.3203 14.3239 k = 0.2279 0.2279 0.3489 ( 1734 PWs) bands (ev): -17.3545 -17.3545 -13.6950 -13.6948 -11.3135 -11.3132 -9.1528 -9.1526 -6.2237 -6.2231 -4.4080 -4.4065 -2.6708 -2.6680 -2.0060 -2.0054 -1.0736 -1.0703 0.2386 0.2398 1.9992 2.0044 2.8293 2.8305 4.5864 4.5910 5.6558 5.6594 10.9884 10.9890 12.1580 12.1584 12.7987 12.8034 14.3352 14.3388 k = 0.2206 0.2206 0.3489 ( 1738 PWs) bands (ev): -17.4168 -17.4168 -13.6605 -13.6603 -11.2419 -11.2416 -9.1166 -9.1165 -6.1598 -6.1592 -4.4339 -4.4323 -2.6437 -2.6407 -2.0821 -2.0813 -1.1009 -1.0976 0.1894 0.1906 2.0173 2.0226 2.8029 2.8041 4.5553 4.5599 5.6224 5.6260 10.9595 10.9601 12.0804 12.0808 12.7033 12.7080 14.3531 14.3568 k = 0.2132 0.2132 0.3489 ( 1742 PWs) bands (ev): -17.4772 -17.4771 -13.6261 -13.6259 -11.1687 -11.1683 -9.0866 -9.0865 -6.0890 -6.0883 -4.4690 -4.4673 -2.6175 -2.6145 -2.1478 -2.1470 -1.1338 -1.1303 0.1403 0.1416 2.0383 2.0438 2.7765 2.7776 4.5265 4.5311 5.5875 5.5910 10.9328 10.9335 12.0053 12.0056 12.6082 12.6129 14.3740 14.3777 k = 0.2059 0.2059 0.3489 ( 1742 PWs) bands (ev): -17.5356 -17.5355 -13.5919 -13.5916 -11.0939 -11.0935 -9.0621 -9.0620 -6.0120 -6.0112 -4.5136 -4.5118 -2.5924 -2.5893 -2.2027 -2.2018 -1.1711 -1.1676 0.0914 0.0927 2.0615 2.0670 2.7502 2.7513 4.5004 4.5049 5.5512 5.5546 10.9084 10.9091 11.9327 11.9331 12.5136 12.5182 14.3979 14.4016 k = 0.1985 0.1985 0.3489 ( 1742 PWs) bands (ev): -17.5921 -17.5920 -13.5578 -13.5576 -11.0175 -11.0171 -9.0426 -9.0425 -5.9295 -5.9287 -4.5678 -4.5661 -2.5687 -2.5656 -2.2465 -2.2455 -1.2119 -1.2083 0.0427 0.0439 2.0857 2.0913 2.7242 2.7252 4.4769 4.4814 5.5135 5.5167 10.8863 10.8870 11.8627 11.8631 12.4196 12.4242 14.4246 14.4283 k = 0.1912 0.1912 0.3489 ( 1732 PWs) bands (ev): -17.6466 -17.6465 -13.5241 -13.5239 -10.9396 -10.9392 -9.0275 -9.0274 -5.8424 -5.8416 -4.6316 -4.6298 -2.5466 -2.5435 -2.2793 -2.2783 -1.2551 -1.2515 -0.0059 -0.0047 2.1102 2.1159 2.6988 2.6997 4.4564 4.4608 5.4746 5.4778 10.8665 10.8673 11.7955 11.7959 12.3265 12.3310 14.4541 14.4578 k = 0.1838 0.1838 0.3489 ( 1724 PWs) bands (ev): -17.6991 -17.6991 -13.4908 -13.4905 -10.8603 -10.8599 -9.0162 -9.0161 -5.7516 -5.7506 -4.7044 -4.7026 -2.5267 -2.5235 -2.3015 -2.3004 -1.2997 -1.2960 -0.0543 -0.0530 2.1339 2.1396 2.6740 2.6748 4.4390 4.4432 5.4347 5.4378 10.8491 10.8498 11.7311 11.7315 12.2343 12.2388 14.4861 14.4898 k = 0.1765 0.1765 0.3489 ( 1724 PWs) bands (ev): -17.7497 -17.7496 -13.4580 -13.4577 -10.7795 -10.7791 -9.0081 -9.0080 -5.6577 -5.6567 -4.7856 -4.7838 -2.5093 -2.5061 -2.3138 -2.3127 -1.3448 -1.3410 -0.1025 -0.1013 2.1559 2.1617 2.6500 2.6506 4.4247 4.4288 5.3938 5.3968 10.8337 10.8344 11.6694 11.6698 12.1432 12.1477 14.5205 14.5242 k = 0.1691 0.1691 0.3489 ( 1724 PWs) bands (ev): -17.7982 -17.7982 -13.4257 -13.4255 -10.6975 -10.6970 -9.0027 -9.0026 -5.5616 -5.5605 -4.8743 -4.8725 -2.4948 -2.4916 -2.3170 -2.3159 -1.3892 -1.3853 -0.1506 -0.1493 2.1756 2.1814 2.6269 2.6274 4.4139 4.4178 5.3522 5.3551 10.8205 10.8212 11.6106 11.6110 12.0534 12.0579 14.5571 14.5608 k = 0.1618 0.1618 0.3489 ( 1724 PWs) bands (ev): -17.8448 -17.8448 -13.3941 -13.3939 -10.6141 -10.6137 -8.9996 -8.9995 -5.4640 -5.4628 -4.9695 -4.9677 -2.4836 -2.4806 -2.3120 -2.3109 -1.4317 -1.4278 -0.1984 -0.1972 2.1923 2.1980 2.6050 2.6052 4.4066 4.4103 5.3101 5.3129 10.8093 10.8100 11.5546 11.5550 11.9652 11.9696 14.5957 14.5993 k = 0.1544 0.1544 0.3489 ( 1728 PWs) bands (ev): -17.8894 -17.8893 -13.3632 -13.3630 -10.5296 -10.5292 -8.9982 -8.9981 -5.3656 -5.3644 -5.0702 -5.0685 -2.4764 -2.4735 -2.2997 -2.2986 -1.4717 -1.4676 -0.2461 -0.2449 2.2055 2.2111 2.5841 2.5841 4.4028 4.4064 5.2677 5.2704 10.8000 10.8007 11.5015 11.5018 11.8786 11.8829 14.6360 14.6396 k = 0.1471 0.1471 0.3489 ( 1728 PWs) bands (ev): -17.9319 -17.9319 -13.3332 -13.3330 -10.4441 -10.4436 -8.9983 -8.9982 -5.2671 -5.2659 -5.1754 -5.1738 -2.4736 -2.4707 -2.2810 -2.2799 -1.5078 -1.5037 -0.2936 -0.2924 2.2149 2.2204 2.5641 2.5644 4.4028 4.4061 5.2252 5.2277 10.7925 10.7932 11.4511 11.4515 11.7941 11.7983 14.6778 14.6814 k = 0.1397 0.1397 0.3489 ( 1730 PWs) bands (ev): -17.9724 -17.9724 -13.3040 -13.3038 -10.3575 -10.3571 -8.9994 -8.9993 -5.2844 -5.2828 -5.1691 -5.1677 -2.4753 -2.4726 -2.2568 -2.2557 -1.5395 -1.5352 -0.3409 -0.3397 2.2204 2.2257 2.5452 2.5457 4.4063 4.4094 5.1828 5.1852 10.7866 10.7871 11.4036 11.4039 11.7117 11.7159 14.7208 14.7244 k = 0.1324 0.1324 0.3489 ( 1722 PWs) bands (ev): -18.0108 -18.0108 -13.2758 -13.2756 -10.2702 -10.2697 -9.0013 -9.0013 -5.3960 -5.3944 -5.0722 -5.0709 -2.4820 -2.4795 -2.2278 -2.2268 -1.5660 -1.5616 -0.3881 -0.3869 2.2222 2.2273 2.5272 2.5280 4.4133 4.4161 5.1407 5.1431 10.7822 10.7827 11.3589 11.3592 11.6319 11.6360 14.7646 14.7681 k = 0.1250 0.1250 0.3489 ( 1722 PWs) bands (ev): -18.0473 -18.0472 -13.2487 -13.2485 -10.1822 -10.1817 -9.0039 -9.0038 -5.5095 -5.5080 -4.9771 -4.9756 -2.4935 -2.4911 -2.1948 -2.1938 -1.5873 -1.5828 -0.4351 -0.4339 2.2204 2.2252 2.5098 2.5108 4.4234 4.4261 5.0992 5.1015 10.7789 10.7793 11.3168 11.3172 11.5548 11.5588 14.8088 14.8122 k = 0.1176 0.1176 0.3489 ( 1718 PWs) bands (ev): -18.0816 -18.0816 -13.2227 -13.2225 -10.0937 -10.0931 -9.0068 -9.0067 -5.6241 -5.6227 -4.8841 -4.8827 -2.5095 -2.5074 -2.1584 -2.1574 -1.6032 -1.5986 -0.4819 -0.4807 2.2156 2.2202 2.4927 2.4940 4.4365 4.4390 5.0586 5.0607 10.7764 10.7768 11.2776 11.2779 11.4809 11.4848 14.8530 14.8562 k = 0.1103 0.1103 0.3489 ( 1720 PWs) bands (ev): -18.1139 -18.1139 -13.1980 -13.1978 -10.0049 -10.0044 -9.0099 -9.0098 -5.7392 -5.7379 -4.7940 -4.7925 -2.5297 -2.5277 -2.1192 -2.1182 -1.6140 -1.6093 -0.5286 -0.5274 2.2082 2.2125 2.4758 2.4773 4.4522 4.4544 5.0190 5.0210 10.7745 10.7748 11.2409 11.2413 11.4105 11.4143 14.8966 14.8997 k = 0.1029 0.1029 0.3489 ( 1720 PWs) bands (ev): -18.1442 -18.1442 -13.1745 -13.1743 -9.9162 -9.9157 -9.0131 -9.0130 -5.8541 -5.8528 -4.7071 -4.7056 -2.5531 -2.5512 -2.0777 -2.0767 -1.6201 -1.6153 -0.5751 -0.5739 2.1987 2.2028 2.4590 2.4607 4.4700 4.4721 4.9805 4.9824 10.7727 10.7729 11.2069 11.2072 11.3441 11.3477 14.9393 14.9422 k = 0.0956 0.0956 0.3489 ( 1720 PWs) bands (ev): -18.1724 -18.1724 -13.1523 -13.1521 -9.8278 -9.8272 -9.0163 -9.0162 -5.9680 -5.9668 -4.6240 -4.6224 -2.5789 -2.5773 -2.0344 -2.0334 -1.6221 -1.6173 -0.6214 -0.6202 2.1877 2.1916 2.4422 2.4439 4.4896 4.4914 4.9436 4.9454 10.7707 10.7708 11.1754 11.1758 11.2822 11.2857 14.9804 14.9830 k = 0.0882 0.0882 0.3489 ( 1720 PWs) bands (ev): -18.1985 -18.1985 -13.1315 -13.1313 -9.7400 -9.7395 -9.0193 -9.0193 -6.0803 -6.0791 -4.5450 -4.5435 -2.6064 -2.6049 -1.9896 -1.9886 -1.6208 -1.6161 -0.6674 -0.6663 2.1756 2.1794 2.4255 2.4272 4.5103 4.5120 4.9084 4.9100 10.7678 10.7679 11.1465 11.1469 11.2254 11.2287 15.0192 15.0216 k = 0.0809 0.0809 0.3489 ( 1720 PWs) bands (ev): -18.2225 -18.2225 -13.1122 -13.1120 -9.6534 -9.6529 -9.0222 -9.0222 -6.1903 -6.1892 -4.4706 -4.4692 -2.6346 -2.6333 -1.9439 -1.9429 -1.6168 -1.6122 -0.7132 -0.7121 2.1630 2.1665 2.4089 2.4106 4.5317 4.5332 4.8751 4.8766 10.7636 10.7636 11.1199 11.1204 11.1744 11.1774 15.0551 15.0571 k = 0.0735 0.0735 0.3489 ( 1720 PWs) bands (ev): -18.2445 -18.2445 -13.0943 -13.0942 -9.5686 -9.5681 -9.0249 -9.0248 -6.2972 -6.2961 -4.4013 -4.3998 -2.6628 -2.6617 -1.8975 -1.8966 -1.6108 -1.6064 -0.7587 -0.7576 2.1499 2.1532 2.3928 2.3944 4.5533 4.5546 4.8439 4.8453 10.7575 10.7576 11.0956 11.0962 11.1299 11.1325 15.0869 15.0883 k = 0.0662 0.0662 0.3489 ( 1720 PWs) bands (ev): -18.2644 -18.2644 -13.0781 -13.0779 -9.4861 -9.4856 -9.0273 -9.0272 -6.4000 -6.3990 -4.3373 -4.3359 -2.6902 -2.6892 -1.8510 -1.8501 -1.6035 -1.5993 -0.8036 -0.8025 2.1368 2.1400 2.3773 2.3788 4.5747 4.5758 4.8151 4.8163 10.7491 10.7492 11.0733 11.0743 11.0926 11.0946 15.1130 15.1138 k = 0.0588 0.0588 0.3489 ( 1722 PWs) bands (ev): -18.2822 -18.2822 -13.0634 -13.0633 -9.4068 -9.4063 -9.0295 -9.0294 -6.4979 -6.4970 -4.2791 -4.2778 -2.7162 -2.7153 -1.8047 -1.8038 -1.5954 -1.5915 -0.8477 -0.8467 2.1240 2.1269 2.3627 2.3641 4.5951 4.5961 4.7887 4.7898 10.7383 10.7383 11.0521 11.0541 11.0637 11.0644 15.1311 15.1311 k = 0.0515 0.0515 0.3489 ( 1722 PWs) bands (ev): -18.2979 -18.2979 -13.0503 -13.0502 -9.3316 -9.3312 -9.0313 -9.0313 -6.5897 -6.5889 -4.2270 -4.2258 -2.7403 -2.7395 -1.7592 -1.7584 -1.5871 -1.5835 -0.8909 -0.8899 2.1119 2.1146 2.3493 2.3505 4.6143 4.6152 4.7651 4.7660 10.7254 10.7254 11.0317 11.0344 11.0428 11.0432 15.1382 15.1388 k = 0.0441 0.0441 0.3489 ( 1722 PWs) bands (ev): -18.3115 -18.3115 -13.0390 -13.0389 -9.2618 -9.2614 -9.0330 -9.0329 -6.6741 -6.6734 -4.1812 -4.1801 -2.7620 -2.7613 -1.7152 -1.7143 -1.5789 -1.5757 -0.9326 -0.9316 2.1007 2.1031 2.3374 2.3383 4.6319 4.6326 4.7443 4.7451 10.7111 10.7111 11.0147 11.0171 11.0272 11.0276 15.1358 15.1368 k = 0.0368 0.0368 0.3489 ( 1730 PWs) bands (ev): -18.3230 -18.3230 -13.0293 -13.0292 -9.1987 -9.1984 -9.0343 -9.0343 -6.7498 -6.7491 -4.1420 -4.1411 -2.7810 -2.7804 -1.6734 -1.6726 -1.5713 -1.5686 -0.9721 -0.9712 2.0906 2.0927 2.3268 2.3277 4.6474 4.6480 4.7264 4.7271 10.6964 10.6965 11.0018 11.0038 11.0149 11.0153 15.1279 15.1288 k = 0.0294 0.0294 0.3489 ( 1730 PWs) bands (ev): -18.3325 -18.3325 -13.0213 -13.0213 -9.1439 -9.1435 -9.0354 -9.0354 -6.8150 -6.8144 -4.1096 -4.1089 -2.7969 -2.7964 -1.6349 -1.6342 -1.5646 -1.5623 -1.0084 -1.0077 2.0820 2.0837 2.3182 2.3188 4.6606 4.6611 4.7116 4.7122 10.6827 10.6829 10.9926 10.9941 11.0054 11.0056 15.1183 15.1191 k = 0.0221 0.0221 0.3489 ( 1730 PWs) bands (ev): -18.3398 -18.3398 -13.0151 -13.0151 -9.0988 -9.0986 -9.0362 -9.0362 -6.8681 -6.8676 -4.0842 -4.0836 -2.8095 -2.8091 -1.6013 -1.6007 -1.5590 -1.5572 -1.0402 -1.0396 2.0751 2.0764 2.3113 2.3118 4.6711 4.6715 4.7001 4.7005 10.6710 10.6711 10.9862 10.9873 10.9983 10.9985 15.1094 15.1100 k = 0.0147 0.0147 0.3489 ( 1726 PWs) bands (ev): -18.3451 -18.3451 -13.0107 -13.0107 -9.0652 -9.0650 -9.0368 -9.0368 -6.9074 -6.9071 -4.0659 -4.0655 -2.8185 -2.8183 -1.5746 -1.5741 -1.5547 -1.5535 -1.0655 -1.0650 2.0701 2.0710 2.3064 2.3068 4.6788 4.6791 4.6918 4.6921 10.6621 10.6621 10.9820 10.9827 10.9936 10.9937 15.1024 15.1028 k = 0.0074 0.0074 0.3489 ( 1722 PWs) bands (ev): -18.3482 -18.3482 -13.0080 -13.0080 -9.0444 -9.0443 -9.0372 -9.0371 -6.9316 -6.9315 -4.0549 -4.0547 -2.8240 -2.8239 -1.5573 -1.5570 -1.5518 -1.5511 -1.0820 -1.0817 2.0671 2.0676 2.3035 2.3037 4.6834 4.6836 4.6869 4.6870 10.6565 10.6566 10.9796 10.9799 10.9910 10.9910 15.0981 15.0983 k = 0.0000 0.0000 0.3489 ( 1714 PWs) bands (ev): -18.3492 -18.3492 -13.0071 -13.0071 -9.0377 -9.0377 -9.0368 -9.0368 -6.9397 -6.9397 -4.0511 -4.0511 -2.8258 -2.8258 -1.5519 -1.5519 -1.5497 -1.5497 -1.0877 -1.0877 2.0664 2.0664 2.3026 2.3026 4.6846 4.6846 4.6858 4.6858 10.6546 10.6546 10.9789 10.9789 10.9902 10.9902 15.0967 15.0967 k = 0.0000 0.5000-0.0000 ( 1730 PWs) bands (ev): -16.0450 -16.0450 -16.0449 -16.0449 -9.4413 -9.4413 -9.4400 -9.4400 -5.7061 -5.7061 -5.7058 -5.7058 -2.3574 -2.3574 -2.3569 -2.3569 -0.5763 -0.5763 -0.5730 -0.5730 2.3543 2.3543 2.3545 2.3545 5.6085 5.6085 5.6133 5.6133 11.1505 11.1505 11.1523 11.1523 13.4671 13.4671 13.4702 13.4702 k = 0.0000 0.5000 0.0103 ( 1734 PWs) bands (ev): -16.0449 -16.0449 -16.0448 -16.0448 -9.4414 -9.4414 -9.4401 -9.4401 -5.7061 -5.7061 -5.7058 -5.7058 -2.3576 -2.3576 -2.3570 -2.3570 -0.5762 -0.5762 -0.5729 -0.5729 2.3547 2.3547 2.3549 2.3549 5.6079 5.6079 5.6128 5.6128 11.1513 11.1513 11.1531 11.1531 13.4671 13.4671 13.4702 13.4702 k = 0.0000 0.5000 0.0205 ( 1730 PWs) bands (ev): -16.0449 -16.0449 -16.0448 -16.0448 -9.4416 -9.4416 -9.4403 -9.4403 -5.7060 -5.7060 -5.7058 -5.7058 -2.3580 -2.3580 -2.3575 -2.3575 -0.5758 -0.5758 -0.5725 -0.5725 2.3561 2.3561 2.3563 2.3563 5.6066 5.6066 5.6114 5.6114 11.1537 11.1537 11.1555 11.1555 13.4671 13.4671 13.4702 13.4702 k = 0.0000 0.5000 0.0308 ( 1728 PWs) bands (ev): -16.0448 -16.0448 -16.0446 -16.0446 -9.4421 -9.4421 -9.4408 -9.4408 -5.7060 -5.7060 -5.7057 -5.7057 -2.3588 -2.3588 -2.3583 -2.3583 -0.5751 -0.5751 -0.5718 -0.5718 2.3584 2.3584 2.3586 2.3586 5.6044 5.6044 5.6092 5.6092 11.1576 11.1576 11.1595 11.1595 13.4671 13.4671 13.4702 13.4702 k = 0.0000 0.5000 0.0410 ( 1724 PWs) bands (ev): -16.0446 -16.0446 -16.0445 -16.0445 -9.4427 -9.4427 -9.4414 -9.4414 -5.7059 -5.7059 -5.7057 -5.7057 -2.3599 -2.3599 -2.3593 -2.3593 -0.5741 -0.5741 -0.5708 -0.5708 2.3616 2.3616 2.3618 2.3618 5.6013 5.6013 5.6061 5.6061 11.1632 11.1632 11.1651 11.1651 13.4670 13.4670 13.4702 13.4702 k = 0.0000 0.5000 0.0513 ( 1726 PWs) bands (ev): -16.0444 -16.0444 -16.0443 -16.0443 -9.4435 -9.4435 -9.4422 -9.4422 -5.7058 -5.7058 -5.7056 -5.7056 -2.3612 -2.3612 -2.3607 -2.3607 -0.5729 -0.5729 -0.5696 -0.5696 2.3656 2.3656 2.3659 2.3659 5.5972 5.5972 5.6020 5.6020 11.1703 11.1703 11.1722 11.1722 13.4669 13.4669 13.4701 13.4701 k = 0.0000 0.5000 0.0616 ( 1726 PWs) bands (ev): -16.0442 -16.0442 -16.0440 -16.0440 -9.4445 -9.4445 -9.4432 -9.4432 -5.7057 -5.7057 -5.7055 -5.7055 -2.3629 -2.3629 -2.3623 -2.3623 -0.5715 -0.5715 -0.5682 -0.5682 2.3705 2.3705 2.3707 2.3707 5.5924 5.5924 5.5972 5.5972 11.1789 11.1789 11.1809 11.1809 13.4667 13.4667 13.4699 13.4699 k = 0.0000 0.5000 0.0718 ( 1738 PWs) bands (ev): -16.0439 -16.0439 -16.0438 -16.0438 -9.4456 -9.4456 -9.4443 -9.4443 -5.7057 -5.7057 -5.7054 -5.7054 -2.3648 -2.3648 -2.3642 -2.3642 -0.5699 -0.5699 -0.5666 -0.5666 2.3761 2.3761 2.3764 2.3764 5.5868 5.5868 5.5915 5.5915 11.1889 11.1889 11.1909 11.1909 13.4663 13.4663 13.4694 13.4694 k = 0.0000 0.5000 0.0821 ( 1734 PWs) bands (ev): -16.0436 -16.0436 -16.0435 -16.0435 -9.4469 -9.4469 -9.4456 -9.4456 -5.7055 -5.7055 -5.7053 -5.7053 -2.3669 -2.3669 -2.3663 -2.3663 -0.5680 -0.5680 -0.5647 -0.5647 2.3826 2.3826 2.3829 2.3829 5.5805 5.5805 5.5852 5.5852 11.2004 11.2004 11.2024 11.2024 13.4658 13.4658 13.4690 13.4690 k = 0.0000 0.5000 0.0924 ( 1734 PWs) bands (ev): -16.0432 -16.0432 -16.0431 -16.0431 -9.4483 -9.4483 -9.4470 -9.4470 -5.7054 -5.7054 -5.7052 -5.7052 -2.3692 -2.3692 -2.3687 -2.3687 -0.5659 -0.5659 -0.5626 -0.5626 2.3898 2.3898 2.3900 2.3900 5.5734 5.5734 5.5782 5.5782 11.2132 11.2132 11.2153 11.2153 13.4652 13.4652 13.4684 13.4684 k = 0.0000 0.5000 0.1026 ( 1734 PWs) bands (ev): -16.0429 -16.0429 -16.0427 -16.0427 -9.4498 -9.4498 -9.4485 -9.4485 -5.7053 -5.7053 -5.7050 -5.7050 -2.3718 -2.3718 -2.3712 -2.3712 -0.5637 -0.5637 -0.5604 -0.5604 2.3976 2.3976 2.3979 2.3979 5.5658 5.5658 5.5705 5.5705 11.2273 11.2273 11.2295 11.2295 13.4643 13.4643 13.4675 13.4675 k = 0.0000 0.5000 0.1129 ( 1730 PWs) bands (ev): -16.0425 -16.0425 -16.0423 -16.0423 -9.4514 -9.4514 -9.4501 -9.4501 -5.7051 -5.7051 -5.7048 -5.7048 -2.3745 -2.3745 -2.3739 -2.3739 -0.5614 -0.5614 -0.5580 -0.5580 2.4060 2.4060 2.4063 2.4063 5.5575 5.5575 5.5622 5.5622 11.2427 11.2427 11.2449 11.2449 13.4632 13.4632 13.4664 13.4664 k = 0.0000 0.5000 0.1231 ( 1726 PWs) bands (ev): -16.0420 -16.0420 -16.0419 -16.0419 -9.4531 -9.4531 -9.4518 -9.4518 -5.7049 -5.7049 -5.7047 -5.7047 -2.3773 -2.3773 -2.3767 -2.3767 -0.5589 -0.5589 -0.5556 -0.5556 2.4150 2.4150 2.4153 2.4153 5.5489 5.5489 5.5535 5.5535 11.2591 11.2591 11.2614 11.2614 13.4618 13.4618 13.4650 13.4650 k = 0.0000 0.5000 0.1334 ( 1730 PWs) bands (ev): -16.0416 -16.0416 -16.0415 -16.0415 -9.4549 -9.4549 -9.4536 -9.4536 -5.7048 -5.7048 -5.7045 -5.7045 -2.3802 -2.3802 -2.3797 -2.3797 -0.5563 -0.5563 -0.5530 -0.5530 2.4245 2.4245 2.4248 2.4248 5.5397 5.5397 5.5443 5.5443 11.2766 11.2766 11.2790 11.2790 13.4599 13.4599 13.4631 13.4631 k = 0.0000 0.5000 0.1437 ( 1730 PWs) bands (ev): -16.0411 -16.0411 -16.0410 -16.0410 -9.4568 -9.4568 -9.4555 -9.4555 -5.7046 -5.7046 -5.7043 -5.7043 -2.3833 -2.3833 -2.3827 -2.3827 -0.5537 -0.5537 -0.5504 -0.5504 2.4343 2.4343 2.4346 2.4346 5.5301 5.5301 5.5347 5.5347 11.2950 11.2950 11.2975 11.2975 13.4577 13.4577 13.4609 13.4609 k = 0.0000 0.5000 0.1539 ( 1738 PWs) bands (ev): -16.0406 -16.0406 -16.0405 -16.0405 -9.4587 -9.4587 -9.4574 -9.4574 -5.7044 -5.7044 -5.7041 -5.7041 -2.3864 -2.3864 -2.3858 -2.3858 -0.5511 -0.5511 -0.5477 -0.5477 2.4444 2.4444 2.4447 2.4447 5.5202 5.5202 5.5248 5.5248 11.3142 11.3142 11.3167 11.3167 13.4551 13.4551 13.4583 13.4583 k = 0.0000 0.5000 0.1642 ( 1738 PWs) bands (ev): -16.0402 -16.0402 -16.0400 -16.0400 -9.4607 -9.4607 -9.4594 -9.4594 -5.7042 -5.7042 -5.7039 -5.7039 -2.3895 -2.3895 -2.3889 -2.3889 -0.5484 -0.5484 -0.5451 -0.5451 2.4548 2.4548 2.4551 2.4551 5.5101 5.5101 5.5147 5.5147 11.3341 11.3341 11.3367 11.3367 13.4521 13.4521 13.4553 13.4553 k = 0.0000 0.5000 0.1744 ( 1738 PWs) bands (ev): -16.0397 -16.0397 -16.0396 -16.0396 -9.4626 -9.4626 -9.4613 -9.4613 -5.7040 -5.7040 -5.7037 -5.7037 -2.3927 -2.3927 -2.3921 -2.3921 -0.5457 -0.5457 -0.5424 -0.5424 2.4654 2.4654 2.4657 2.4657 5.5000 5.5000 5.5045 5.5045 11.3545 11.3545 11.3572 11.3572 13.4488 13.4488 13.4519 13.4519 k = 0.0000 0.5000 0.1847 ( 1736 PWs) bands (ev): -16.0392 -16.0392 -16.0391 -16.0391 -9.4646 -9.4646 -9.4633 -9.4633 -5.7038 -5.7038 -5.7035 -5.7035 -2.3958 -2.3958 -2.3952 -2.3952 -0.5431 -0.5431 -0.5398 -0.5398 2.4760 2.4760 2.4763 2.4763 5.4898 5.4898 5.4943 5.4943 11.3753 11.3753 11.3780 11.3780 13.4450 13.4450 13.4480 13.4480 k = 0.0000 0.5000 0.1950 ( 1736 PWs) bands (ev): -16.0387 -16.0387 -16.0386 -16.0386 -9.4666 -9.4666 -9.4653 -9.4653 -5.7036 -5.7036 -5.7033 -5.7033 -2.3988 -2.3988 -2.3982 -2.3982 -0.5405 -0.5405 -0.5372 -0.5372 2.4866 2.4866 2.4869 2.4869 5.4796 5.4796 5.4841 5.4841 11.3964 11.3964 11.3991 11.3991 13.4408 13.4408 13.4437 13.4437 k = 0.0000 0.5000 0.2052 ( 1738 PWs) bands (ev): -16.0382 -16.0382 -16.0381 -16.0381 -9.4685 -9.4685 -9.4672 -9.4672 -5.7034 -5.7034 -5.7031 -5.7031 -2.4018 -2.4018 -2.4012 -2.4012 -0.5380 -0.5380 -0.5347 -0.5347 2.4971 2.4971 2.4973 2.4973 5.4696 5.4696 5.4741 5.4741 11.4174 11.4174 11.4202 11.4202 13.4361 13.4361 13.4390 13.4390 k = 0.0000 0.5000 0.2155 ( 1738 PWs) bands (ev): -16.0378 -16.0378 -16.0376 -16.0376 -9.4703 -9.4703 -9.4690 -9.4690 -5.7032 -5.7032 -5.7030 -5.7030 -2.4047 -2.4047 -2.4041 -2.4041 -0.5356 -0.5356 -0.5323 -0.5323 2.5073 2.5073 2.5076 2.5076 5.4598 5.4598 5.4643 5.4643 11.4384 11.4384 11.4412 11.4412 13.4312 13.4312 13.4340 13.4340 k = 0.0000 0.5000 0.2257 ( 1734 PWs) bands (ev): -16.0373 -16.0373 -16.0372 -16.0372 -9.4721 -9.4721 -9.4708 -9.4708 -5.7030 -5.7030 -5.7028 -5.7028 -2.4075 -2.4075 -2.4069 -2.4069 -0.5333 -0.5333 -0.5300 -0.5300 2.5173 2.5173 2.5176 2.5176 5.4503 5.4503 5.4548 5.4548 11.4590 11.4590 11.4620 11.4620 13.4261 13.4261 13.4288 13.4288 k = 0.0000 0.5000 0.2360 ( 1730 PWs) bands (ev): -16.0369 -16.0369 -16.0367 -16.0367 -9.4739 -9.4739 -9.4726 -9.4726 -5.7029 -5.7029 -5.7026 -5.7026 -2.4101 -2.4101 -2.4095 -2.4095 -0.5311 -0.5311 -0.5278 -0.5278 2.5269 2.5269 2.5272 2.5272 5.4413 5.4413 5.4457 5.4457 11.4792 11.4792 11.4821 11.4821 13.4207 13.4207 13.4233 13.4233 k = 0.0000 0.5000 0.2463 ( 1730 PWs) bands (ev): -16.0365 -16.0365 -16.0363 -16.0363 -9.4755 -9.4755 -9.4742 -9.4742 -5.7027 -5.7027 -5.7024 -5.7024 -2.4126 -2.4126 -2.4119 -2.4119 -0.5291 -0.5291 -0.5258 -0.5258 2.5360 2.5360 2.5362 2.5362 5.4326 5.4326 5.4370 5.4370 11.4984 11.4984 11.5015 11.5015 13.4152 13.4152 13.4177 13.4177 k = 0.0000 0.5000 0.2565 ( 1742 PWs) bands (ev): -16.0361 -16.0361 -16.0360 -16.0360 -9.4770 -9.4770 -9.4757 -9.4757 -5.7025 -5.7025 -5.7023 -5.7023 -2.4149 -2.4149 -2.4143 -2.4143 -0.5273 -0.5273 -0.5239 -0.5239 2.5444 2.5444 2.5446 2.5446 5.4244 5.4244 5.4288 5.4288 11.5168 11.5168 11.5198 11.5198 13.4097 13.4097 13.4120 13.4120 k = 0.0000 0.5000 0.2668 ( 1746 PWs) bands (ev): -16.0358 -16.0358 -16.0356 -16.0356 -9.4784 -9.4784 -9.4771 -9.4771 -5.7024 -5.7024 -5.7022 -5.7022 -2.4171 -2.4171 -2.4164 -2.4164 -0.5256 -0.5256 -0.5223 -0.5223 2.5523 2.5523 2.5525 2.5525 5.4170 5.4170 5.4213 5.4213 11.5339 11.5339 11.5370 11.5370 13.4043 13.4043 13.4064 13.4064 k = 0.0000 0.5000 0.2771 ( 1746 PWs) bands (ev): -16.0354 -16.0354 -16.0353 -16.0353 -9.4797 -9.4797 -9.4784 -9.4784 -5.7023 -5.7023 -5.7020 -5.7020 -2.4189 -2.4189 -2.4183 -2.4183 -0.5240 -0.5240 -0.5207 -0.5207 2.5594 2.5594 2.5596 2.5596 5.4102 5.4102 5.4146 5.4146 11.5497 11.5497 11.5528 11.5528 13.3992 13.3992 13.4011 13.4011 k = 0.0000 0.5000 0.2873 ( 1738 PWs) bands (ev): -16.0351 -16.0351 -16.0350 -16.0350 -9.4808 -9.4808 -9.4795 -9.4795 -5.7021 -5.7021 -5.7019 -5.7019 -2.4206 -2.4206 -2.4199 -2.4199 -0.5227 -0.5227 -0.5194 -0.5194 2.5658 2.5658 2.5660 2.5660 5.4043 5.4043 5.4086 5.4086 11.5639 11.5639 11.5671 11.5671 13.3945 13.3945 13.3962 13.3962 k = 0.0000 0.5000 0.2976 ( 1738 PWs) bands (ev): -16.0349 -16.0349 -16.0348 -16.0348 -9.4817 -9.4817 -9.4804 -9.4804 -5.7021 -5.7021 -5.7018 -5.7018 -2.4220 -2.4220 -2.4214 -2.4214 -0.5215 -0.5215 -0.5182 -0.5182 2.5713 2.5713 2.5714 2.5714 5.3991 5.3991 5.4034 5.4034 11.5763 11.5763 11.5795 11.5795 13.3903 13.3903 13.3918 13.3918 k = 0.0000 0.5000 0.3078 ( 1738 PWs) bands (ev): -16.0347 -16.0347 -16.0346 -16.0346 -9.4825 -9.4825 -9.4812 -9.4812 -5.7020 -5.7020 -5.7017 -5.7017 -2.4232 -2.4232 -2.4225 -2.4225 -0.5206 -0.5206 -0.5172 -0.5172 2.5759 2.5759 2.5760 2.5760 5.3948 5.3948 5.3991 5.3991 11.5867 11.5867 11.5899 11.5899 13.3867 13.3867 13.3879 13.3879 k = 0.0000 0.5000 0.3181 ( 1732 PWs) bands (ev): -16.0346 -16.0346 -16.0344 -16.0344 -9.4831 -9.4831 -9.4818 -9.4818 -5.7019 -5.7019 -5.7016 -5.7016 -2.4241 -2.4241 -2.4234 -2.4234 -0.5198 -0.5198 -0.5165 -0.5165 2.5795 2.5795 2.5796 2.5796 5.3915 5.3915 5.3958 5.3958 11.5950 11.5950 11.5982 11.5982 13.3837 13.3837 13.3848 13.3848 k = 0.0000 0.5000 0.3284 ( 1732 PWs) bands (ev): -16.0344 -16.0344 -16.0343 -16.0343 -9.4836 -9.4836 -9.4823 -9.4823 -5.7018 -5.7018 -5.7016 -5.7016 -2.4248 -2.4248 -2.4241 -2.4241 -0.5193 -0.5193 -0.5159 -0.5159 2.5821 2.5821 2.5822 2.5822 5.3890 5.3890 5.3933 5.3933 11.6010 11.6010 11.6042 11.6042 13.3816 13.3816 13.3824 13.3824 k = 0.0000 0.5000 0.3386 ( 1732 PWs) bands (ev): -16.0344 -16.0344 -16.0343 -16.0343 -9.4838 -9.4838 -9.4826 -9.4826 -5.7018 -5.7018 -5.7016 -5.7016 -2.4252 -2.4252 -2.4245 -2.4245 -0.5189 -0.5189 -0.5156 -0.5156 2.5837 2.5837 2.5837 2.5837 5.3875 5.3875 5.3918 5.3918 11.6046 11.6046 11.6078 11.6078 13.3803 13.3803 13.3809 13.3809 k = 0.0000 0.5000 0.3489 ( 1740 PWs) bands (ev): -16.0344 -16.0344 -16.0342 -16.0342 -9.4839 -9.4839 -9.4827 -9.4827 -5.7018 -5.7018 -5.7016 -5.7016 -2.4253 -2.4253 -2.4247 -2.4247 -0.5189 -0.5189 -0.5155 -0.5155 2.5842 2.5842 2.5842 2.5842 5.3870 5.3870 5.3913 5.3913 11.6058 11.6058 11.6090 11.6090 13.3799 13.3799 13.3804 13.3804 k = 0.5000 0.5000-0.0000 ( 1716 PWs) bands (ev): -14.4906 -14.4906 -14.4906 -14.4906 -12.6665 -12.6665 -12.6665 -12.6665 -4.8392 -4.8392 -4.8392 -4.8392 -3.2923 -3.2923 -3.2923 -3.2923 1.5276 1.5276 1.5276 1.5276 3.1113 3.1113 3.1113 3.1113 5.5859 5.5859 5.5859 5.5859 12.8440 12.8440 12.8440 12.8440 14.2730 14.2730 14.2730 14.2730 k = 0.5000 0.5000 0.0103 ( 1704 PWs) bands (ev): -14.4906 -14.4906 -14.4906 -14.4906 -12.6664 -12.6664 -12.6664 -12.6664 -4.8394 -4.8394 -4.8394 -4.8394 -3.2924 -3.2924 -3.2924 -3.2924 1.5276 1.5276 1.5276 1.5276 3.1117 3.1117 3.1117 3.1117 5.5866 5.5866 5.5866 5.5866 12.8441 12.8441 12.8441 12.8441 14.2742 14.2742 14.2742 14.2742 k = 0.5000 0.5000 0.0205 ( 1708 PWs) bands (ev): -14.4905 -14.4905 -14.4905 -14.4905 -12.6664 -12.6664 -12.6664 -12.6664 -4.8398 -4.8398 -4.8398 -4.8398 -3.2930 -3.2930 -3.2930 -3.2930 1.5276 1.5276 1.5276 1.5276 3.1124 3.1124 3.1124 3.1124 5.5884 5.5884 5.5884 5.5884 12.8444 12.8444 12.8444 12.8444 14.2776 14.2776 14.2776 14.2776 k = 0.5000 0.5000 0.0308 ( 1708 PWs) bands (ev): -14.4905 -14.4905 -14.4905 -14.4905 -12.6662 -12.6662 -12.6662 -12.6662 -4.8406 -4.8406 -4.8406 -4.8406 -3.2938 -3.2938 -3.2938 -3.2938 1.5276 1.5276 1.5276 1.5276 3.1138 3.1138 3.1138 3.1138 5.5914 5.5914 5.5914 5.5914 12.8449 12.8449 12.8449 12.8449 14.2831 14.2831 14.2831 14.2831 k = 0.5000 0.5000 0.0410 ( 1708 PWs) bands (ev): -14.4904 -14.4904 -14.4904 -14.4904 -12.6661 -12.6661 -12.6661 -12.6661 -4.8417 -4.8417 -4.8417 -4.8417 -3.2950 -3.2950 -3.2950 -3.2950 1.5276 1.5276 1.5276 1.5276 3.1157 3.1157 3.1157 3.1157 5.5955 5.5955 5.5955 5.5955 12.8456 12.8456 12.8456 12.8456 14.2909 14.2909 14.2909 14.2909 k = 0.5000 0.5000 0.0513 ( 1716 PWs) bands (ev): -14.4903 -14.4903 -14.4903 -14.4903 -12.6659 -12.6659 -12.6659 -12.6659 -4.8431 -4.8431 -4.8431 -4.8431 -3.2965 -3.2965 -3.2965 -3.2965 1.5276 1.5276 1.5276 1.5276 3.1181 3.1181 3.1181 3.1181 5.6008 5.6008 5.6008 5.6008 12.8465 12.8465 12.8465 12.8465 14.3007 14.3007 14.3007 14.3007 k = 0.5000 0.5000 0.0616 ( 1716 PWs) bands (ev): -14.4902 -14.4902 -14.4902 -14.4902 -12.6657 -12.6657 -12.6657 -12.6657 -4.8448 -4.8448 -4.8448 -4.8448 -3.2983 -3.2983 -3.2983 -3.2983 1.5276 1.5276 1.5276 1.5276 3.1209 3.1209 3.1209 3.1209 5.6072 5.6072 5.6072 5.6072 12.8476 12.8476 12.8476 12.8476 14.3128 14.3128 14.3128 14.3128 k = 0.5000 0.5000 0.0718 ( 1724 PWs) bands (ev): -14.4901 -14.4901 -14.4901 -14.4901 -12.6654 -12.6654 -12.6654 -12.6654 -4.8467 -4.8467 -4.8467 -4.8467 -3.3005 -3.3005 -3.3005 -3.3005 1.5276 1.5276 1.5276 1.5276 3.1243 3.1243 3.1243 3.1243 5.6145 5.6145 5.6145 5.6145 12.8488 12.8488 12.8488 12.8488 14.3267 14.3267 14.3267 14.3267 k = 0.5000 0.5000 0.0821 ( 1724 PWs) bands (ev): -14.4899 -14.4899 -14.4899 -14.4899 -12.6651 -12.6651 -12.6651 -12.6651 -4.8489 -4.8489 -4.8489 -4.8489 -3.3028 -3.3028 -3.3028 -3.3028 1.5276 1.5276 1.5276 1.5276 3.1281 3.1281 3.1281 3.1281 5.6230 5.6230 5.6230 5.6230 12.8503 12.8503 12.8503 12.8503 14.3428 14.3428 14.3428 14.3428 k = 0.5000 0.5000 0.0924 ( 1724 PWs) bands (ev): -14.4897 -14.4897 -14.4897 -14.4897 -12.6647 -12.6647 -12.6647 -12.6647 -4.8513 -4.8513 -4.8513 -4.8513 -3.3054 -3.3054 -3.3054 -3.3054 1.5276 1.5276 1.5276 1.5276 3.1322 3.1322 3.1322 3.1322 5.6323 5.6323 5.6323 5.6323 12.8519 12.8519 12.8519 12.8519 14.3608 14.3608 14.3608 14.3608 k = 0.5000 0.5000 0.1026 ( 1724 PWs) bands (ev): -14.4896 -14.4896 -14.4896 -14.4896 -12.6643 -12.6643 -12.6643 -12.6643 -4.8540 -4.8540 -4.8540 -4.8540 -3.3083 -3.3083 -3.3083 -3.3083 1.5277 1.5277 1.5277 1.5277 3.1368 3.1368 3.1368 3.1368 5.6425 5.6425 5.6425 5.6425 12.8537 12.8537 12.8537 12.8537 14.3806 14.3806 14.3806 14.3806 k = 0.5000 0.5000 0.1129 ( 1732 PWs) bands (ev): -14.4894 -14.4894 -14.4894 -14.4894 -12.6639 -12.6639 -12.6639 -12.6639 -4.8568 -4.8568 -4.8568 -4.8568 -3.3114 -3.3114 -3.3114 -3.3114 1.5277 1.5277 1.5277 1.5277 3.1417 3.1417 3.1417 3.1417 5.6534 5.6534 5.6534 5.6534 12.8557 12.8557 12.8557 12.8557 14.4021 14.4021 14.4021 14.4021 k = 0.5000 0.5000 0.1231 ( 1732 PWs) bands (ev): -14.4892 -14.4892 -14.4892 -14.4892 -12.6635 -12.6635 -12.6635 -12.6635 -4.8598 -4.8598 -4.8598 -4.8598 -3.3146 -3.3146 -3.3146 -3.3146 1.5277 1.5277 1.5277 1.5277 3.1468 3.1468 3.1468 3.1468 5.6650 5.6650 5.6650 5.6650 12.8578 12.8578 12.8578 12.8578 14.4253 14.4253 14.4253 14.4253 k = 0.5000 0.5000 0.1334 ( 1732 PWs) bands (ev): -14.4889 -14.4889 -14.4889 -14.4889 -12.6630 -12.6630 -12.6630 -12.6630 -4.8629 -4.8629 -4.8629 -4.8629 -3.3179 -3.3179 -3.3179 -3.3179 1.5278 1.5278 1.5278 1.5278 3.1522 3.1522 3.1522 3.1522 5.6772 5.6772 5.6772 5.6772 12.8600 12.8600 12.8600 12.8600 14.4499 14.4499 14.4499 14.4499 k = 0.5000 0.5000 0.1437 ( 1708 PWs) bands (ev): -14.4887 -14.4887 -14.4887 -14.4887 -12.6625 -12.6625 -12.6625 -12.6625 -4.8661 -4.8661 -4.8661 -4.8661 -3.3214 -3.3214 -3.3214 -3.3214 1.5280 1.5280 1.5280 1.5280 3.1579 3.1579 3.1579 3.1579 5.6901 5.6901 5.6901 5.6901 12.8625 12.8625 12.8625 12.8625 14.4760 14.4760 14.4760 14.4760 k = 0.5000 0.5000 0.1539 ( 1724 PWs) bands (ev): -14.4885 -14.4885 -14.4885 -14.4885 -12.6621 -12.6621 -12.6621 -12.6621 -4.8695 -4.8695 -4.8695 -4.8695 -3.3250 -3.3250 -3.3250 -3.3250 1.5279 1.5279 1.5279 1.5279 3.1635 3.1635 3.1635 3.1635 5.7030 5.7030 5.7030 5.7030 12.8648 12.8648 12.8648 12.8648 14.5031 14.5031 14.5031 14.5031 k = 0.5000 0.5000 0.1642 ( 1724 PWs) bands (ev): -14.4882 -14.4882 -14.4882 -14.4882 -12.6616 -12.6616 -12.6616 -12.6616 -4.8728 -4.8728 -4.8728 -4.8728 -3.3286 -3.3286 -3.3286 -3.3286 1.5279 1.5279 1.5279 1.5279 3.1693 3.1693 3.1693 3.1693 5.7163 5.7163 5.7163 5.7163 12.8673 12.8673 12.8673 12.8673 14.5312 14.5312 14.5312 14.5312 k = 0.5000 0.5000 0.1744 ( 1724 PWs) bands (ev): -14.4880 -14.4880 -14.4880 -14.4880 -12.6611 -12.6611 -12.6611 -12.6611 -4.8762 -4.8762 -4.8762 -4.8762 -3.3323 -3.3323 -3.3323 -3.3323 1.5279 1.5279 1.5279 1.5279 3.1752 3.1752 3.1752 3.1752 5.7297 5.7297 5.7297 5.7297 12.8699 12.8699 12.8699 12.8699 14.5602 14.5602 14.5602 14.5602 k = 0.5000 0.5000 0.1847 ( 1740 PWs) bands (ev): -14.4878 -14.4878 -14.4878 -14.4878 -12.6606 -12.6606 -12.6606 -12.6606 -4.8796 -4.8796 -4.8796 -4.8796 -3.3360 -3.3360 -3.3360 -3.3360 1.5279 1.5279 1.5279 1.5279 3.1810 3.1810 3.1810 3.1810 5.7428 5.7428 5.7428 5.7428 12.8725 12.8725 12.8725 12.8725 14.5897 14.5897 14.5897 14.5897 k = 0.5000 0.5000 0.1950 ( 1736 PWs) bands (ev): -14.4875 -14.4875 -14.4875 -14.4875 -12.6601 -12.6601 -12.6601 -12.6601 -4.8830 -4.8830 -4.8830 -4.8830 -3.3396 -3.3396 -3.3396 -3.3396 1.5280 1.5280 1.5280 1.5280 3.1868 3.1868 3.1868 3.1868 5.7562 5.7562 5.7562 5.7562 12.8752 12.8752 12.8752 12.8752 14.6197 14.6197 14.6197 14.6197 k = 0.5000 0.5000 0.2052 ( 1736 PWs) bands (ev): -14.4873 -14.4873 -14.4873 -14.4873 -12.6597 -12.6597 -12.6597 -12.6597 -4.8863 -4.8863 -4.8863 -4.8863 -3.3431 -3.3431 -3.3431 -3.3431 1.5280 1.5280 1.5280 1.5280 3.1925 3.1925 3.1925 3.1925 5.7694 5.7694 5.7694 5.7694 12.8779 12.8779 12.8779 12.8779 14.6497 14.6497 14.6497 14.6497 k = 0.5000 0.5000 0.2155 ( 1736 PWs) bands (ev): -14.4870 -14.4870 -14.4870 -14.4870 -12.6592 -12.6592 -12.6592 -12.6592 -4.8895 -4.8895 -4.8895 -4.8895 -3.3466 -3.3466 -3.3466 -3.3466 1.5280 1.5280 1.5280 1.5280 3.1980 3.1980 3.1980 3.1980 5.7822 5.7822 5.7822 5.7822 12.8805 12.8805 12.8805 12.8805 14.6796 14.6796 14.6796 14.6796 k = 0.5000 0.5000 0.2257 ( 1736 PWs) bands (ev): -14.4868 -14.4868 -14.4868 -14.4868 -12.6587 -12.6587 -12.6587 -12.6587 -4.8926 -4.8926 -4.8926 -4.8926 -3.3499 -3.3499 -3.3499 -3.3499 1.5281 1.5281 1.5281 1.5281 3.2034 3.2034 3.2034 3.2034 5.7947 5.7947 5.7947 5.7947 12.8831 12.8831 12.8831 12.8831 14.7090 14.7090 14.7090 14.7090 k = 0.5000 0.5000 0.2360 ( 1736 PWs) bands (ev): -14.4866 -14.4866 -14.4866 -14.4866 -12.6583 -12.6583 -12.6583 -12.6583 -4.8956 -4.8956 -4.8956 -4.8956 -3.3531 -3.3531 -3.3531 -3.3531 1.5281 1.5281 1.5281 1.5281 3.2085 3.2085 3.2085 3.2085 5.8066 5.8066 5.8066 5.8066 12.8856 12.8856 12.8856 12.8856 14.7377 14.7377 14.7377 14.7377 k = 0.5000 0.5000 0.2463 ( 1736 PWs) bands (ev): -14.4864 -14.4864 -14.4864 -14.4864 -12.6579 -12.6579 -12.6579 -12.6579 -4.8983 -4.8983 -4.8983 -4.8983 -3.3560 -3.3560 -3.3560 -3.3560 1.5281 1.5281 1.5281 1.5281 3.2133 3.2133 3.2133 3.2133 5.8179 5.8179 5.8179 5.8179 12.8880 12.8880 12.8880 12.8880 14.7654 14.7654 14.7654 14.7654 k = 0.5000 0.5000 0.2565 ( 1736 PWs) bands (ev): -14.4862 -14.4862 -14.4862 -14.4862 -12.6575 -12.6575 -12.6575 -12.6575 -4.9009 -4.9009 -4.9009 -4.9009 -3.3588 -3.3588 -3.3588 -3.3588 1.5282 1.5282 1.5282 1.5282 3.2178 3.2178 3.2178 3.2178 5.8284 5.8284 5.8284 5.8284 12.8903 12.8903 12.8903 12.8903 14.7918 14.7918 14.7918 14.7918 k = 0.5000 0.5000 0.2668 ( 1736 PWs) bands (ev): -14.4861 -14.4861 -14.4861 -14.4861 -12.6571 -12.6571 -12.6571 -12.6571 -4.9033 -4.9033 -4.9033 -4.9033 -3.3614 -3.3614 -3.3614 -3.3614 1.5282 1.5282 1.5282 1.5282 3.2219 3.2219 3.2219 3.2219 5.8381 5.8381 5.8381 5.8381 12.8924 12.8924 12.8924 12.8924 14.8164 14.8164 14.8164 14.8164 k = 0.5000 0.5000 0.2771 ( 1736 PWs) bands (ev): -14.4859 -14.4859 -14.4859 -14.4859 -12.6568 -12.6568 -12.6568 -12.6568 -4.9055 -4.9055 -4.9055 -4.9055 -3.3637 -3.3637 -3.3637 -3.3637 1.5282 1.5282 1.5282 1.5282 3.2256 3.2256 3.2256 3.2256 5.8469 5.8469 5.8469 5.8469 12.8944 12.8944 12.8944 12.8944 14.8391 14.8391 14.8391 14.8391 k = 0.5000 0.5000 0.2873 ( 1744 PWs) bands (ev): -14.4858 -14.4858 -14.4858 -14.4858 -12.6566 -12.6566 -12.6566 -12.6566 -4.9074 -4.9074 -4.9074 -4.9074 -3.3657 -3.3657 -3.3657 -3.3657 1.5282 1.5282 1.5282 1.5282 3.2288 3.2288 3.2288 3.2288 5.8547 5.8547 5.8547 5.8547 12.8961 12.8961 12.8961 12.8961 14.8595 14.8595 14.8595 14.8595 k = 0.5000 0.5000 0.2976 ( 1740 PWs) bands (ev): -14.4856 -14.4856 -14.4856 -14.4856 -12.6563 -12.6563 -12.6563 -12.6563 -4.9090 -4.9090 -4.9090 -4.9090 -3.3675 -3.3675 -3.3675 -3.3675 1.5282 1.5282 1.5282 1.5282 3.2317 3.2317 3.2317 3.2317 5.8615 5.8615 5.8615 5.8615 12.8976 12.8976 12.8976 12.8976 14.8774 14.8774 14.8774 14.8774 k = 0.5000 0.5000 0.3078 ( 1756 PWs) bands (ev): -14.4856 -14.4856 -14.4856 -14.4856 -12.6561 -12.6561 -12.6561 -12.6561 -4.9104 -4.9104 -4.9104 -4.9104 -3.3690 -3.3690 -3.3690 -3.3690 1.5281 1.5281 1.5281 1.5281 3.2340 3.2340 3.2340 3.2340 5.8670 5.8670 5.8670 5.8670 12.8987 12.8987 12.8987 12.8987 14.8923 14.8923 14.8923 14.8923 k = 0.5000 0.5000 0.3181 ( 1760 PWs) bands (ev): -14.4855 -14.4855 -14.4855 -14.4855 -12.6560 -12.6560 -12.6560 -12.6560 -4.9115 -4.9115 -4.9115 -4.9115 -3.3701 -3.3701 -3.3701 -3.3701 1.5282 1.5282 1.5282 1.5282 3.2358 3.2358 3.2358 3.2358 5.8714 5.8714 5.8714 5.8714 12.8996 12.8996 12.8996 12.8996 14.9042 14.9042 14.9042 14.9042 k = 0.5000 0.5000 0.3284 ( 1760 PWs) bands (ev): -14.4854 -14.4854 -14.4854 -14.4854 -12.6559 -12.6559 -12.6559 -12.6559 -4.9123 -4.9123 -4.9123 -4.9123 -3.3710 -3.3710 -3.3710 -3.3710 1.5282 1.5282 1.5282 1.5282 3.2371 3.2371 3.2371 3.2371 5.8746 5.8746 5.8746 5.8746 12.9004 12.9004 12.9004 12.9004 14.9128 14.9128 14.9128 14.9128 k = 0.5000 0.5000 0.3386 ( 1760 PWs) bands (ev): -14.4854 -14.4854 -14.4854 -14.4854 -12.6558 -12.6558 -12.6558 -12.6558 -4.9127 -4.9127 -4.9127 -4.9127 -3.3715 -3.3715 -3.3715 -3.3715 1.5282 1.5282 1.5282 1.5282 3.2379 3.2379 3.2379 3.2379 5.8765 5.8765 5.8765 5.8765 12.9008 12.9008 12.9008 12.9008 14.9180 14.9180 14.9180 14.9180 k = 0.5000 0.5000 0.3489 ( 1768 PWs) bands (ev): -14.4854 -14.4854 -14.4854 -14.4854 -12.6558 -12.6558 -12.6558 -12.6558 -4.9129 -4.9129 -4.9129 -4.9129 -3.3716 -3.3716 -3.3716 -3.3716 1.5282 1.5282 1.5282 1.5282 3.2381 3.2381 3.2381 3.2381 5.8769 5.8769 5.8769 5.8769 12.9009 12.9009 12.9009 12.9009 14.9197 14.9197 14.9197 14.9197 Writing output data file CN2.save init_run : 0.42s CPU 0.80s WALL ( 1 calls) electrons : 156.15s CPU 158.20s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.19s WALL ( 1 calls) potinit : 0.03s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 156.14s CPU 158.19s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.03s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.02s WALL ( 1 calls) newd : 0.02s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.02s WALL ( 439 calls) cegterg : 145.87s CPU 147.52s WALL ( 860 calls) Called by sum_band: Called by *egterg: h_psi : 89.44s CPU 95.98s WALL ( 13963 calls) s_psi : 3.35s CPU 3.62s WALL ( 13963 calls) g_psi : 0.09s CPU 0.15s WALL ( 12664 calls) cdiaghg : 45.58s CPU 43.57s WALL ( 13103 calls) cegterg:over : 5.69s CPU 5.60s WALL ( 12664 calls) cegterg:upda : 0.99s CPU 1.86s WALL ( 12664 calls) cegterg:last : 0.71s CPU 1.38s WALL ( 2185 calls) Called by h_psi: h_psi:vloc : 84.17s CPU 89.75s WALL ( 13963 calls) h_psi:vnl : 5.23s CPU 6.12s WALL ( 13963 calls) add_vuspsi : 2.21s CPU 2.48s WALL ( 13963 calls) General routines calbec : 3.01s CPU 3.61s WALL ( 13963 calls) fft : 0.02s CPU 0.04s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 82.23s CPU 86.59s WALL ( 977376 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.02s CPU 0.06s WALL ( 878 calls) Parallel routines fft_scatter : 66.16s CPU 62.67s WALL ( 977399 calls) PWSCF : 2m57.11s CPU 3m 5.26s WALL This run was terminated on: 15: 6:58 23Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=