Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 20:30: 9 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./NiAs2.save/ file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 31 22 6 1119 670 108 Max 32 23 7 1126 683 115 Sum 1127 807 243 40375 24279 4023 bravais-lattice index = 14 lattice parameter (alat) = 6.6989 a.u. unit-cell volume = 659.6837 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 42.0000 Ry charge density cutoff = 236.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.698890 celldm(2)= 1.342295 celldm(3)= 1.634856 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 1.342295 0.000000 ) a(3) = ( 0.000000 0.000000 1.634856 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.744993 -0.000000 ) b(3) = ( 0.000000 0.000000 0.611675 ) PseudoPot. # 1 for As read from file: /users/gautes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 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 1209 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 Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential As 5.00 74.92160 As( 1.00) Ni 10.00 58.69340 Ni( 1.00) 4 Sym. Ops., with inversion, found (note: 4 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [1,0,0] -C2 -2 180 deg rotation - cart. axis [1,0,0] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [1,0,0] -s_h -4 inv. 180 deg rotation - cart. axis [1,0,0] E Cartesian axes number of k points= 440 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022727 k( 2) = ( 0.0111111 -0.0000000 -0.0000000), wk = 0.0022727 k( 3) = ( 0.0222222 -0.0000000 -0.0000000), wk = 0.0022727 k( 4) = ( 0.0333333 -0.0000000 -0.0000000), wk = 0.0022727 k( 5) = ( 0.0444444 -0.0000000 -0.0000000), wk = 0.0022727 k( 6) = ( 0.0555556 -0.0000000 -0.0000000), wk = 0.0022727 k( 7) = ( 0.0666667 -0.0000000 -0.0000000), wk = 0.0022727 k( 8) = ( 0.0777778 -0.0000000 -0.0000000), wk = 0.0022727 k( 9) = ( 0.0888889 -0.0000000 -0.0000000), wk = 0.0022727 k( 10) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0022727 k( 11) = ( 0.1111111 -0.0000000 -0.0000000), wk = 0.0022727 k( 12) = ( 0.1222222 -0.0000000 -0.0000000), wk = 0.0022727 k( 13) = ( 0.1333333 -0.0000000 -0.0000000), wk = 0.0022727 k( 14) = ( 0.1444444 -0.0000000 -0.0000000), wk = 0.0022727 k( 15) = ( 0.1555556 -0.0000000 -0.0000000), wk = 0.0022727 k( 16) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0022727 k( 17) = ( 0.1777778 -0.0000000 -0.0000000), wk = 0.0022727 k( 18) = ( 0.1888889 -0.0000000 -0.0000000), wk = 0.0022727 k( 19) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0022727 k( 20) = ( 0.2111111 -0.0000000 -0.0000000), wk = 0.0022727 k( 21) = ( 0.2222222 -0.0000000 -0.0000000), wk = 0.0022727 k( 22) = ( 0.2333333 -0.0000000 -0.0000000), wk = 0.0022727 k( 23) = ( 0.2444444 -0.0000000 -0.0000000), wk = 0.0022727 k( 24) = ( 0.2555556 -0.0000000 -0.0000000), wk = 0.0022727 k( 25) = ( 0.2666667 -0.0000000 -0.0000000), wk = 0.0022727 k( 26) = ( 0.2777778 -0.0000000 -0.0000000), wk = 0.0022727 k( 27) = ( 0.2888889 -0.0000000 -0.0000000), wk = 0.0022727 k( 28) = ( 0.3000000 -0.0000000 -0.0000000), wk = 0.0022727 k( 29) = ( 0.3111111 -0.0000000 -0.0000000), wk = 0.0022727 k( 30) = ( 0.3222222 -0.0000000 -0.0000000), wk = 0.0022727 k( 31) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0022727 k( 32) = ( 0.3444444 -0.0000000 -0.0000000), wk = 0.0022727 k( 33) = ( 0.3555556 -0.0000000 -0.0000000), wk = 0.0022727 k( 34) = ( 0.3666667 -0.0000000 -0.0000000), wk = 0.0022727 k( 35) = ( 0.3777778 -0.0000000 -0.0000000), wk = 0.0022727 k( 36) = ( 0.3888889 -0.0000000 -0.0000000), wk = 0.0022727 k( 37) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0022727 k( 38) = ( 0.4111111 -0.0000000 -0.0000000), wk = 0.0022727 k( 39) = ( 0.4222222 -0.0000000 -0.0000000), wk = 0.0022727 k( 40) = ( 0.4333333 -0.0000000 -0.0000000), wk = 0.0022727 k( 41) = ( 0.4444444 -0.0000000 -0.0000000), wk = 0.0022727 k( 42) = ( 0.4555556 -0.0000000 -0.0000000), wk = 0.0022727 k( 43) = ( 0.4666667 -0.0000000 -0.0000000), wk = 0.0022727 k( 44) = ( 0.4777778 -0.0000000 -0.0000000), wk = 0.0022727 k( 45) = ( 0.4888889 -0.0000000 -0.0000000), wk = 0.0022727 k( 46) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0022727 k( 47) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0022727 k( 48) = ( 0.5000000 0.0109558 -0.0000000), wk = 0.0022727 k( 49) = ( 0.5000000 0.0219116 -0.0000000), wk = 0.0022727 k( 50) = ( 0.5000000 0.0328673 -0.0000000), wk = 0.0022727 k( 51) = ( 0.5000000 0.0438231 -0.0000000), wk = 0.0022727 k( 52) = ( 0.5000000 0.0547789 -0.0000000), wk = 0.0022727 k( 53) = ( 0.5000000 0.0657347 -0.0000000), wk = 0.0022727 k( 54) = ( 0.5000000 0.0766905 -0.0000000), wk = 0.0022727 k( 55) = ( 0.5000000 0.0876462 -0.0000000), wk = 0.0022727 k( 56) = ( 0.5000000 0.0986020 -0.0000000), wk = 0.0022727 k( 57) = ( 0.5000000 0.1095578 -0.0000000), wk = 0.0022727 k( 58) = ( 0.5000000 0.1205136 -0.0000000), wk = 0.0022727 k( 59) = ( 0.5000000 0.1314693 -0.0000000), wk = 0.0022727 k( 60) = ( 0.5000000 0.1424251 -0.0000000), wk = 0.0022727 k( 61) = ( 0.5000000 0.1533809 -0.0000000), wk = 0.0022727 k( 62) = ( 0.5000000 0.1643367 -0.0000000), wk = 0.0022727 k( 63) = ( 0.5000000 0.1752925 -0.0000000), wk = 0.0022727 k( 64) = ( 0.5000000 0.1862482 -0.0000000), wk = 0.0022727 k( 65) = ( 0.5000000 0.1972040 -0.0000000), wk = 0.0022727 k( 66) = ( 0.5000000 0.2081598 -0.0000000), wk = 0.0022727 k( 67) = ( 0.5000000 0.2191156 -0.0000000), wk = 0.0022727 k( 68) = ( 0.5000000 0.2300714 -0.0000000), wk = 0.0022727 k( 69) = ( 0.5000000 0.2410271 -0.0000000), wk = 0.0022727 k( 70) = ( 0.5000000 0.2519829 -0.0000000), wk = 0.0022727 k( 71) = ( 0.5000000 0.2629387 -0.0000000), wk = 0.0022727 k( 72) = ( 0.5000000 0.2738945 -0.0000000), wk = 0.0022727 k( 73) = ( 0.5000000 0.2848502 -0.0000000), wk = 0.0022727 k( 74) = ( 0.5000000 0.2958060 -0.0000000), wk = 0.0022727 k( 75) = ( 0.5000000 0.3067618 -0.0000000), wk = 0.0022727 k( 76) = ( 0.5000000 0.3177176 -0.0000000), wk = 0.0022727 k( 77) = ( 0.5000000 0.3286734 -0.0000000), wk = 0.0022727 k( 78) = ( 0.5000000 0.3396291 -0.0000000), wk = 0.0022727 k( 79) = ( 0.5000000 0.3505849 -0.0000000), wk = 0.0022727 k( 80) = ( 0.5000000 0.3615407 -0.0000000), wk = 0.0022727 k( 81) = ( 0.5000000 0.3724965 -0.0000000), wk = 0.0022727 k( 82) = ( 0.5000000 0.3724965 -0.0000000), wk = 0.0022727 k( 83) = ( 0.4888889 0.3724965 -0.0000000), wk = 0.0022727 k( 84) = ( 0.4777778 0.3724965 -0.0000000), wk = 0.0022727 k( 85) = ( 0.4666667 0.3724965 -0.0000000), wk = 0.0022727 k( 86) = ( 0.4555556 0.3724965 -0.0000000), wk = 0.0022727 k( 87) = ( 0.4444444 0.3724965 -0.0000000), wk = 0.0022727 k( 88) = ( 0.4333333 0.3724965 -0.0000000), wk = 0.0022727 k( 89) = ( 0.4222222 0.3724965 -0.0000000), wk = 0.0022727 k( 90) = ( 0.4111111 0.3724965 -0.0000000), wk = 0.0022727 k( 91) = ( 0.4000000 0.3724965 -0.0000000), wk = 0.0022727 k( 92) = ( 0.3888889 0.3724965 -0.0000000), wk = 0.0022727 k( 93) = ( 0.3777778 0.3724965 -0.0000000), wk = 0.0022727 k( 94) = ( 0.3666667 0.3724965 -0.0000000), wk = 0.0022727 k( 95) = ( 0.3555556 0.3724965 -0.0000000), wk = 0.0022727 k( 96) = ( 0.3444444 0.3724965 -0.0000000), wk = 0.0022727 k( 97) = ( 0.3333333 0.3724965 -0.0000000), wk = 0.0022727 k( 98) = ( 0.3222222 0.3724965 -0.0000000), wk = 0.0022727 k( 99) = ( 0.3111111 0.3724965 -0.0000000), wk = 0.0022727 k( 100) = ( 0.3000000 0.3724965 -0.0000000), wk = 0.0022727 k( 101) = ( 0.2888889 0.3724965 -0.0000000), wk = 0.0022727 k( 102) = ( 0.2777778 0.3724965 -0.0000000), wk = 0.0022727 k( 103) = ( 0.2666667 0.3724965 -0.0000000), wk = 0.0022727 k( 104) = ( 0.2555556 0.3724965 -0.0000000), wk = 0.0022727 k( 105) = ( 0.2444444 0.3724965 -0.0000000), wk = 0.0022727 k( 106) = ( 0.2333333 0.3724965 -0.0000000), wk = 0.0022727 k( 107) = ( 0.2222222 0.3724965 -0.0000000), wk = 0.0022727 k( 108) = ( 0.2111111 0.3724965 -0.0000000), wk = 0.0022727 k( 109) = ( 0.2000000 0.3724965 -0.0000000), wk = 0.0022727 k( 110) = ( 0.1888889 0.3724965 -0.0000000), wk = 0.0022727 k( 111) = ( 0.1777778 0.3724965 -0.0000000), wk = 0.0022727 k( 112) = ( 0.1666667 0.3724965 -0.0000000), wk = 0.0022727 k( 113) = ( 0.1555556 0.3724965 -0.0000000), wk = 0.0022727 k( 114) = ( 0.1444444 0.3724965 -0.0000000), wk = 0.0022727 k( 115) = ( 0.1333333 0.3724965 -0.0000000), wk = 0.0022727 k( 116) = ( 0.1222222 0.3724965 -0.0000000), wk = 0.0022727 k( 117) = ( 0.1111111 0.3724965 -0.0000000), wk = 0.0022727 k( 118) = ( 0.1000000 0.3724965 -0.0000000), wk = 0.0022727 k( 119) = ( 0.0888889 0.3724965 -0.0000000), wk = 0.0022727 k( 120) = ( 0.0777778 0.3724965 -0.0000000), wk = 0.0022727 k( 121) = ( 0.0666667 0.3724965 -0.0000000), wk = 0.0022727 k( 122) = ( 0.0555556 0.3724965 -0.0000000), wk = 0.0022727 k( 123) = ( 0.0444444 0.3724965 -0.0000000), wk = 0.0022727 k( 124) = ( 0.0333333 0.3724965 -0.0000000), wk = 0.0022727 k( 125) = ( 0.0222222 0.3724965 -0.0000000), wk = 0.0022727 k( 126) = ( 0.0111111 0.3724965 -0.0000000), wk = 0.0022727 k( 127) = ( 0.0000000 0.3724965 -0.0000000), wk = 0.0022727 k( 128) = ( 0.0000000 0.3724965 -0.0000000), wk = 0.0022727 k( 129) = ( 0.0000000 0.3615407 -0.0000000), wk = 0.0022727 k( 130) = ( 0.0000000 0.3505849 -0.0000000), wk = 0.0022727 k( 131) = ( 0.0000000 0.3396291 -0.0000000), wk = 0.0022727 k( 132) = ( 0.0000000 0.3286734 -0.0000000), wk = 0.0022727 k( 133) = ( 0.0000000 0.3177176 -0.0000000), wk = 0.0022727 k( 134) = ( 0.0000000 0.3067618 -0.0000000), wk = 0.0022727 k( 135) = ( 0.0000000 0.2958060 -0.0000000), wk = 0.0022727 k( 136) = ( 0.0000000 0.2848502 -0.0000000), wk = 0.0022727 k( 137) = ( 0.0000000 0.2738945 -0.0000000), wk = 0.0022727 k( 138) = ( 0.0000000 0.2629387 -0.0000000), wk = 0.0022727 k( 139) = ( 0.0000000 0.2519829 -0.0000000), wk = 0.0022727 k( 140) = ( 0.0000000 0.2410271 -0.0000000), wk = 0.0022727 k( 141) = ( 0.0000000 0.2300714 -0.0000000), wk = 0.0022727 k( 142) = ( 0.0000000 0.2191156 -0.0000000), wk = 0.0022727 k( 143) = ( 0.0000000 0.2081598 -0.0000000), wk = 0.0022727 k( 144) = ( 0.0000000 0.1972040 -0.0000000), wk = 0.0022727 k( 145) = ( 0.0000000 0.1862482 -0.0000000), wk = 0.0022727 k( 146) = ( 0.0000000 0.1752925 -0.0000000), wk = 0.0022727 k( 147) = ( 0.0000000 0.1643367 -0.0000000), wk = 0.0022727 k( 148) = ( 0.0000000 0.1533809 -0.0000000), wk = 0.0022727 k( 149) = ( 0.0000000 0.1424251 -0.0000000), wk = 0.0022727 k( 150) = ( 0.0000000 0.1314693 -0.0000000), wk = 0.0022727 k( 151) = ( 0.0000000 0.1205136 -0.0000000), wk = 0.0022727 k( 152) = ( 0.0000000 0.1095578 -0.0000000), wk = 0.0022727 k( 153) = ( 0.0000000 0.0986020 -0.0000000), wk = 0.0022727 k( 154) = ( 0.0000000 0.0876462 -0.0000000), wk = 0.0022727 k( 155) = ( 0.0000000 0.0766905 -0.0000000), wk = 0.0022727 k( 156) = ( 0.0000000 0.0657347 -0.0000000), wk = 0.0022727 k( 157) = ( 0.0000000 0.0547789 -0.0000000), wk = 0.0022727 k( 158) = ( 0.0000000 0.0438231 -0.0000000), wk = 0.0022727 k( 159) = ( 0.0000000 0.0328673 -0.0000000), wk = 0.0022727 k( 160) = ( 0.0000000 0.0219116 -0.0000000), wk = 0.0022727 k( 161) = ( 0.0000000 0.0109558 -0.0000000), wk = 0.0022727 k( 162) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022727 k( 163) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022727 k( 164) = ( 0.0000000 0.0000000 0.0109228), wk = 0.0022727 k( 165) = ( 0.0000000 0.0000000 0.0218455), wk = 0.0022727 k( 166) = ( 0.0000000 0.0000000 0.0327683), wk = 0.0022727 k( 167) = ( 0.0000000 0.0000000 0.0436911), wk = 0.0022727 k( 168) = ( 0.0000000 0.0000000 0.0546138), wk = 0.0022727 k( 169) = ( 0.0000000 0.0000000 0.0655366), wk = 0.0022727 k( 170) = ( 0.0000000 0.0000000 0.0764593), wk = 0.0022727 k( 171) = ( 0.0000000 0.0000000 0.0873821), wk = 0.0022727 k( 172) = ( 0.0000000 0.0000000 0.0983049), wk = 0.0022727 k( 173) = ( 0.0000000 0.0000000 0.1092276), wk = 0.0022727 k( 174) = ( 0.0000000 0.0000000 0.1201504), wk = 0.0022727 k( 175) = ( 0.0000000 0.0000000 0.1310732), wk = 0.0022727 k( 176) = ( 0.0000000 0.0000000 0.1419959), wk = 0.0022727 k( 177) = ( 0.0000000 0.0000000 0.1529187), wk = 0.0022727 k( 178) = ( 0.0000000 0.0000000 0.1638415), wk = 0.0022727 k( 179) = ( 0.0000000 0.0000000 0.1747642), wk = 0.0022727 k( 180) = ( 0.0000000 0.0000000 0.1856870), wk = 0.0022727 k( 181) = ( 0.0000000 0.0000000 0.1966097), wk = 0.0022727 k( 182) = ( 0.0000000 0.0000000 0.2075325), wk = 0.0022727 k( 183) = ( 0.0000000 0.0000000 0.2184553), wk = 0.0022727 k( 184) = ( 0.0000000 0.0000000 0.2293780), wk = 0.0022727 k( 185) = ( 0.0000000 0.0000000 0.2403008), wk = 0.0022727 k( 186) = ( 0.0000000 0.0000000 0.2512236), wk = 0.0022727 k( 187) = ( 0.0000000 0.0000000 0.2621463), wk = 0.0022727 k( 188) = ( 0.0000000 0.0000000 0.2730691), wk = 0.0022727 k( 189) = ( 0.0000000 0.0000000 0.2839919), wk = 0.0022727 k( 190) = ( 0.0000000 0.0000000 0.2949146), wk = 0.0022727 k( 191) = ( 0.0000000 0.0000000 0.3058374), wk = 0.0022727 k( 192) = ( 0.0000000 0.0000000 0.3058374), wk = 0.0022727 k( 193) = ( 0.0111111 -0.0000000 0.3058374), wk = 0.0022727 k( 194) = ( 0.0222222 -0.0000000 0.3058374), wk = 0.0022727 k( 195) = ( 0.0333333 -0.0000000 0.3058374), wk = 0.0022727 k( 196) = ( 0.0444444 -0.0000000 0.3058374), wk = 0.0022727 k( 197) = ( 0.0555556 -0.0000000 0.3058374), wk = 0.0022727 k( 198) = ( 0.0666667 -0.0000000 0.3058374), wk = 0.0022727 k( 199) = ( 0.0777778 -0.0000000 0.3058374), wk = 0.0022727 k( 200) = ( 0.0888889 -0.0000000 0.3058374), wk = 0.0022727 k( 201) = ( 0.1000000 -0.0000000 0.3058374), wk = 0.0022727 k( 202) = ( 0.1111111 -0.0000000 0.3058374), wk = 0.0022727 k( 203) = ( 0.1222222 -0.0000000 0.3058374), wk = 0.0022727 k( 204) = ( 0.1333333 -0.0000000 0.3058374), wk = 0.0022727 k( 205) = ( 0.1444444 -0.0000000 0.3058374), wk = 0.0022727 k( 206) = ( 0.1555556 -0.0000000 0.3058374), wk = 0.0022727 k( 207) = ( 0.1666667 -0.0000000 0.3058374), wk = 0.0022727 k( 208) = ( 0.1777778 -0.0000000 0.3058374), wk = 0.0022727 k( 209) = ( 0.1888889 -0.0000000 0.3058374), wk = 0.0022727 k( 210) = ( 0.2000000 -0.0000000 0.3058374), wk = 0.0022727 k( 211) = ( 0.2111111 -0.0000000 0.3058374), wk = 0.0022727 k( 212) = ( 0.2222222 -0.0000000 0.3058374), wk = 0.0022727 k( 213) = ( 0.2333333 -0.0000000 0.3058374), wk = 0.0022727 k( 214) = ( 0.2444444 -0.0000000 0.3058374), wk = 0.0022727 k( 215) = ( 0.2555556 -0.0000000 0.3058374), wk = 0.0022727 k( 216) = ( 0.2666667 -0.0000000 0.3058374), wk = 0.0022727 k( 217) = ( 0.2777778 -0.0000000 0.3058374), wk = 0.0022727 k( 218) = ( 0.2888889 -0.0000000 0.3058374), wk = 0.0022727 k( 219) = ( 0.3000000 -0.0000000 0.3058374), wk = 0.0022727 k( 220) = ( 0.3111111 -0.0000000 0.3058374), wk = 0.0022727 k( 221) = ( 0.3222222 -0.0000000 0.3058374), wk = 0.0022727 k( 222) = ( 0.3333333 -0.0000000 0.3058374), wk = 0.0022727 k( 223) = ( 0.3444444 -0.0000000 0.3058374), wk = 0.0022727 k( 224) = ( 0.3555556 -0.0000000 0.3058374), wk = 0.0022727 k( 225) = ( 0.3666667 -0.0000000 0.3058374), wk = 0.0022727 k( 226) = ( 0.3777778 -0.0000000 0.3058374), wk = 0.0022727 k( 227) = ( 0.3888889 -0.0000000 0.3058374), wk = 0.0022727 k( 228) = ( 0.4000000 -0.0000000 0.3058374), wk = 0.0022727 k( 229) = ( 0.4111111 -0.0000000 0.3058374), wk = 0.0022727 k( 230) = ( 0.4222222 -0.0000000 0.3058374), wk = 0.0022727 k( 231) = ( 0.4333333 -0.0000000 0.3058374), wk = 0.0022727 k( 232) = ( 0.4444444 -0.0000000 0.3058374), wk = 0.0022727 k( 233) = ( 0.4555556 -0.0000000 0.3058374), wk = 0.0022727 k( 234) = ( 0.4666667 -0.0000000 0.3058374), wk = 0.0022727 k( 235) = ( 0.4777778 -0.0000000 0.3058374), wk = 0.0022727 k( 236) = ( 0.4888889 -0.0000000 0.3058374), wk = 0.0022727 k( 237) = ( 0.5000000 -0.0000000 0.3058374), wk = 0.0022727 k( 238) = ( 0.5000000 -0.0000000 0.3058374), wk = 0.0022727 k( 239) = ( 0.5000000 0.0109558 0.3058374), wk = 0.0022727 k( 240) = ( 0.5000000 0.0219116 0.3058374), wk = 0.0022727 k( 241) = ( 0.5000000 0.0328673 0.3058374), wk = 0.0022727 k( 242) = ( 0.5000000 0.0438231 0.3058374), wk = 0.0022727 k( 243) = ( 0.5000000 0.0547789 0.3058374), wk = 0.0022727 k( 244) = ( 0.5000000 0.0657347 0.3058374), wk = 0.0022727 k( 245) = ( 0.5000000 0.0766905 0.3058374), wk = 0.0022727 k( 246) = ( 0.5000000 0.0876462 0.3058374), wk = 0.0022727 k( 247) = ( 0.5000000 0.0986020 0.3058374), wk = 0.0022727 k( 248) = ( 0.5000000 0.1095578 0.3058374), wk = 0.0022727 k( 249) = ( 0.5000000 0.1205136 0.3058374), wk = 0.0022727 k( 250) = ( 0.5000000 0.1314693 0.3058374), wk = 0.0022727 k( 251) = ( 0.5000000 0.1424251 0.3058374), wk = 0.0022727 k( 252) = ( 0.5000000 0.1533809 0.3058374), wk = 0.0022727 k( 253) = ( 0.5000000 0.1643367 0.3058374), wk = 0.0022727 k( 254) = ( 0.5000000 0.1752925 0.3058374), wk = 0.0022727 k( 255) = ( 0.5000000 0.1862482 0.3058374), wk = 0.0022727 k( 256) = ( 0.5000000 0.1972040 0.3058374), wk = 0.0022727 k( 257) = ( 0.5000000 0.2081598 0.3058374), wk = 0.0022727 k( 258) = ( 0.5000000 0.2191156 0.3058374), wk = 0.0022727 k( 259) = ( 0.5000000 0.2300714 0.3058374), wk = 0.0022727 k( 260) = ( 0.5000000 0.2410271 0.3058374), wk = 0.0022727 k( 261) = ( 0.5000000 0.2519829 0.3058374), wk = 0.0022727 k( 262) = ( 0.5000000 0.2629387 0.3058374), wk = 0.0022727 k( 263) = ( 0.5000000 0.2738945 0.3058374), wk = 0.0022727 k( 264) = ( 0.5000000 0.2848502 0.3058374), wk = 0.0022727 k( 265) = ( 0.5000000 0.2958060 0.3058374), wk = 0.0022727 k( 266) = ( 0.5000000 0.3067618 0.3058374), wk = 0.0022727 k( 267) = ( 0.5000000 0.3177176 0.3058374), wk = 0.0022727 k( 268) = ( 0.5000000 0.3286734 0.3058374), wk = 0.0022727 k( 269) = ( 0.5000000 0.3396291 0.3058374), wk = 0.0022727 k( 270) = ( 0.5000000 0.3505849 0.3058374), wk = 0.0022727 k( 271) = ( 0.5000000 0.3615407 0.3058374), wk = 0.0022727 k( 272) = ( 0.5000000 0.3724965 0.3058374), wk = 0.0022727 k( 273) = ( 0.5000000 0.3724965 0.3058374), wk = 0.0022727 k( 274) = ( 0.4888889 0.3724965 0.3058374), wk = 0.0022727 k( 275) = ( 0.4777778 0.3724965 0.3058374), wk = 0.0022727 k( 276) = ( 0.4666667 0.3724965 0.3058374), wk = 0.0022727 k( 277) = ( 0.4555556 0.3724965 0.3058374), wk = 0.0022727 k( 278) = ( 0.4444444 0.3724965 0.3058374), wk = 0.0022727 k( 279) = ( 0.4333333 0.3724965 0.3058374), wk = 0.0022727 k( 280) = ( 0.4222222 0.3724965 0.3058374), wk = 0.0022727 k( 281) = ( 0.4111111 0.3724965 0.3058374), wk = 0.0022727 k( 282) = ( 0.4000000 0.3724965 0.3058374), wk = 0.0022727 k( 283) = ( 0.3888889 0.3724965 0.3058374), wk = 0.0022727 k( 284) = ( 0.3777778 0.3724965 0.3058374), wk = 0.0022727 k( 285) = ( 0.3666667 0.3724965 0.3058374), wk = 0.0022727 k( 286) = ( 0.3555556 0.3724965 0.3058374), wk = 0.0022727 k( 287) = ( 0.3444444 0.3724965 0.3058374), wk = 0.0022727 k( 288) = ( 0.3333333 0.3724965 0.3058374), wk = 0.0022727 k( 289) = ( 0.3222222 0.3724965 0.3058374), wk = 0.0022727 k( 290) = ( 0.3111111 0.3724965 0.3058374), wk = 0.0022727 k( 291) = ( 0.3000000 0.3724965 0.3058374), wk = 0.0022727 k( 292) = ( 0.2888889 0.3724965 0.3058374), wk = 0.0022727 k( 293) = ( 0.2777778 0.3724965 0.3058374), wk = 0.0022727 k( 294) = ( 0.2666667 0.3724965 0.3058374), wk = 0.0022727 k( 295) = ( 0.2555556 0.3724965 0.3058374), wk = 0.0022727 k( 296) = ( 0.2444444 0.3724965 0.3058374), wk = 0.0022727 k( 297) = ( 0.2333333 0.3724965 0.3058374), wk = 0.0022727 k( 298) = ( 0.2222222 0.3724965 0.3058374), wk = 0.0022727 k( 299) = ( 0.2111111 0.3724965 0.3058374), wk = 0.0022727 k( 300) = ( 0.2000000 0.3724965 0.3058374), wk = 0.0022727 k( 301) = ( 0.1888889 0.3724965 0.3058374), wk = 0.0022727 k( 302) = ( 0.1777778 0.3724965 0.3058374), wk = 0.0022727 k( 303) = ( 0.1666667 0.3724965 0.3058374), wk = 0.0022727 k( 304) = ( 0.1555556 0.3724965 0.3058374), wk = 0.0022727 k( 305) = ( 0.1444444 0.3724965 0.3058374), wk = 0.0022727 k( 306) = ( 0.1333333 0.3724965 0.3058374), wk = 0.0022727 k( 307) = ( 0.1222222 0.3724965 0.3058374), wk = 0.0022727 k( 308) = ( 0.1111111 0.3724965 0.3058374), wk = 0.0022727 k( 309) = ( 0.1000000 0.3724965 0.3058374), wk = 0.0022727 k( 310) = ( 0.0888889 0.3724965 0.3058374), wk = 0.0022727 k( 311) = ( 0.0777778 0.3724965 0.3058374), wk = 0.0022727 k( 312) = ( 0.0666667 0.3724965 0.3058374), wk = 0.0022727 k( 313) = ( 0.0555556 0.3724965 0.3058374), wk = 0.0022727 k( 314) = ( 0.0444444 0.3724965 0.3058374), wk = 0.0022727 k( 315) = ( 0.0333333 0.3724965 0.3058374), wk = 0.0022727 k( 316) = ( 0.0222222 0.3724965 0.3058374), wk = 0.0022727 k( 317) = ( 0.0111111 0.3724965 0.3058374), wk = 0.0022727 k( 318) = ( 0.0000000 0.3724965 0.3058374), wk = 0.0022727 k( 319) = ( 0.0000000 0.3724965 0.3058374), wk = 0.0022727 k( 320) = ( 0.0000000 0.3615407 0.3058374), wk = 0.0022727 k( 321) = ( 0.0000000 0.3505849 0.3058374), wk = 0.0022727 k( 322) = ( 0.0000000 0.3396291 0.3058374), wk = 0.0022727 k( 323) = ( 0.0000000 0.3286734 0.3058374), wk = 0.0022727 k( 324) = ( 0.0000000 0.3177176 0.3058374), wk = 0.0022727 k( 325) = ( 0.0000000 0.3067618 0.3058374), wk = 0.0022727 k( 326) = ( 0.0000000 0.2958060 0.3058374), wk = 0.0022727 k( 327) = ( 0.0000000 0.2848502 0.3058374), wk = 0.0022727 k( 328) = ( 0.0000000 0.2738945 0.3058374), wk = 0.0022727 k( 329) = ( 0.0000000 0.2629387 0.3058374), wk = 0.0022727 k( 330) = ( 0.0000000 0.2519829 0.3058374), wk = 0.0022727 k( 331) = ( 0.0000000 0.2410271 0.3058374), wk = 0.0022727 k( 332) = ( 0.0000000 0.2300714 0.3058374), wk = 0.0022727 k( 333) = ( 0.0000000 0.2191156 0.3058374), wk = 0.0022727 k( 334) = ( 0.0000000 0.2081598 0.3058374), wk = 0.0022727 k( 335) = ( 0.0000000 0.1972040 0.3058374), wk = 0.0022727 k( 336) = ( 0.0000000 0.1862482 0.3058374), wk = 0.0022727 k( 337) = ( 0.0000000 0.1752925 0.3058374), wk = 0.0022727 k( 338) = ( 0.0000000 0.1643367 0.3058374), wk = 0.0022727 k( 339) = ( 0.0000000 0.1533809 0.3058374), wk = 0.0022727 k( 340) = ( 0.0000000 0.1424251 0.3058374), wk = 0.0022727 k( 341) = ( 0.0000000 0.1314693 0.3058374), wk = 0.0022727 k( 342) = ( 0.0000000 0.1205136 0.3058374), wk = 0.0022727 k( 343) = ( 0.0000000 0.1095578 0.3058374), wk = 0.0022727 k( 344) = ( 0.0000000 0.0986020 0.3058374), wk = 0.0022727 k( 345) = ( 0.0000000 0.0876462 0.3058374), wk = 0.0022727 k( 346) = ( 0.0000000 0.0766905 0.3058374), wk = 0.0022727 k( 347) = ( 0.0000000 0.0657347 0.3058374), wk = 0.0022727 k( 348) = ( 0.0000000 0.0547789 0.3058374), wk = 0.0022727 k( 349) = ( 0.0000000 0.0438231 0.3058374), wk = 0.0022727 k( 350) = ( 0.0000000 0.0328673 0.3058374), wk = 0.0022727 k( 351) = ( 0.0000000 0.0219116 0.3058374), wk = 0.0022727 k( 352) = ( 0.0000000 0.0109558 0.3058374), wk = 0.0022727 k( 353) = ( 0.0000000 0.0000000 0.3058374), wk = 0.0022727 k( 354) = ( 0.0000000 0.3724965 -0.0000000), wk = 0.0022727 k( 355) = ( 0.0000000 0.3724965 0.0109228), wk = 0.0022727 k( 356) = ( 0.0000000 0.3724965 0.0218455), wk = 0.0022727 k( 357) = ( 0.0000000 0.3724965 0.0327683), wk = 0.0022727 k( 358) = ( 0.0000000 0.3724965 0.0436911), wk = 0.0022727 k( 359) = ( 0.0000000 0.3724965 0.0546138), wk = 0.0022727 k( 360) = ( 0.0000000 0.3724965 0.0655366), wk = 0.0022727 k( 361) = ( 0.0000000 0.3724965 0.0764593), wk = 0.0022727 k( 362) = ( 0.0000000 0.3724965 0.0873821), wk = 0.0022727 k( 363) = ( 0.0000000 0.3724965 0.0983049), wk = 0.0022727 k( 364) = ( 0.0000000 0.3724965 0.1092276), wk = 0.0022727 k( 365) = ( 0.0000000 0.3724965 0.1201504), wk = 0.0022727 k( 366) = ( 0.0000000 0.3724965 0.1310732), wk = 0.0022727 k( 367) = ( 0.0000000 0.3724965 0.1419959), wk = 0.0022727 k( 368) = ( 0.0000000 0.3724965 0.1529187), wk = 0.0022727 k( 369) = ( 0.0000000 0.3724965 0.1638415), wk = 0.0022727 k( 370) = ( 0.0000000 0.3724965 0.1747642), wk = 0.0022727 k( 371) = ( 0.0000000 0.3724965 0.1856870), wk = 0.0022727 k( 372) = ( 0.0000000 0.3724965 0.1966097), wk = 0.0022727 k( 373) = ( 0.0000000 0.3724965 0.2075325), wk = 0.0022727 k( 374) = ( 0.0000000 0.3724965 0.2184553), wk = 0.0022727 k( 375) = ( 0.0000000 0.3724965 0.2293780), wk = 0.0022727 k( 376) = ( 0.0000000 0.3724965 0.2403008), wk = 0.0022727 k( 377) = ( 0.0000000 0.3724965 0.2512236), wk = 0.0022727 k( 378) = ( 0.0000000 0.3724965 0.2621463), wk = 0.0022727 k( 379) = ( 0.0000000 0.3724965 0.2730691), wk = 0.0022727 k( 380) = ( 0.0000000 0.3724965 0.2839919), wk = 0.0022727 k( 381) = ( 0.0000000 0.3724965 0.2949146), wk = 0.0022727 k( 382) = ( 0.0000000 0.3724965 0.3058374), wk = 0.0022727 k( 383) = ( 0.5000000 -0.0000000 0.3058374), wk = 0.0022727 k( 384) = ( 0.5000000 -0.0000000 0.2949146), wk = 0.0022727 k( 385) = ( 0.5000000 -0.0000000 0.2839919), wk = 0.0022727 k( 386) = ( 0.5000000 -0.0000000 0.2730691), wk = 0.0022727 k( 387) = ( 0.5000000 -0.0000000 0.2621463), wk = 0.0022727 k( 388) = ( 0.5000000 -0.0000000 0.2512236), wk = 0.0022727 k( 389) = ( 0.5000000 -0.0000000 0.2403008), wk = 0.0022727 k( 390) = ( 0.5000000 -0.0000000 0.2293780), wk = 0.0022727 k( 391) = ( 0.5000000 -0.0000000 0.2184553), wk = 0.0022727 k( 392) = ( 0.5000000 -0.0000000 0.2075325), wk = 0.0022727 k( 393) = ( 0.5000000 -0.0000000 0.1966097), wk = 0.0022727 k( 394) = ( 0.5000000 -0.0000000 0.1856870), wk = 0.0022727 k( 395) = ( 0.5000000 -0.0000000 0.1747642), wk = 0.0022727 k( 396) = ( 0.5000000 -0.0000000 0.1638415), wk = 0.0022727 k( 397) = ( 0.5000000 -0.0000000 0.1529187), wk = 0.0022727 k( 398) = ( 0.5000000 -0.0000000 0.1419959), wk = 0.0022727 k( 399) = ( 0.5000000 -0.0000000 0.1310732), wk = 0.0022727 k( 400) = ( 0.5000000 -0.0000000 0.1201504), wk = 0.0022727 k( 401) = ( 0.5000000 -0.0000000 0.1092276), wk = 0.0022727 k( 402) = ( 0.5000000 -0.0000000 0.0983049), wk = 0.0022727 k( 403) = ( 0.5000000 -0.0000000 0.0873821), wk = 0.0022727 k( 404) = ( 0.5000000 -0.0000000 0.0764593), wk = 0.0022727 k( 405) = ( 0.5000000 -0.0000000 0.0655366), wk = 0.0022727 k( 406) = ( 0.5000000 -0.0000000 0.0546138), wk = 0.0022727 k( 407) = ( 0.5000000 -0.0000000 0.0436911), wk = 0.0022727 k( 408) = ( 0.5000000 -0.0000000 0.0327683), wk = 0.0022727 k( 409) = ( 0.5000000 -0.0000000 0.0218455), wk = 0.0022727 k( 410) = ( 0.5000000 -0.0000000 0.0109228), wk = 0.0022727 k( 411) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0022727 k( 412) = ( 0.5000000 0.3724965 -0.0000000), wk = 0.0022727 k( 413) = ( 0.5000000 0.3724965 0.0109228), wk = 0.0022727 k( 414) = ( 0.5000000 0.3724965 0.0218455), wk = 0.0022727 k( 415) = ( 0.5000000 0.3724965 0.0327683), wk = 0.0022727 k( 416) = ( 0.5000000 0.3724965 0.0436911), wk = 0.0022727 k( 417) = ( 0.5000000 0.3724965 0.0546138), wk = 0.0022727 k( 418) = ( 0.5000000 0.3724965 0.0655366), wk = 0.0022727 k( 419) = ( 0.5000000 0.3724965 0.0764593), wk = 0.0022727 k( 420) = ( 0.5000000 0.3724965 0.0873821), wk = 0.0022727 k( 421) = ( 0.5000000 0.3724965 0.0983049), wk = 0.0022727 k( 422) = ( 0.5000000 0.3724965 0.1092276), wk = 0.0022727 k( 423) = ( 0.5000000 0.3724965 0.1201504), wk = 0.0022727 k( 424) = ( 0.5000000 0.3724965 0.1310732), wk = 0.0022727 k( 425) = ( 0.5000000 0.3724965 0.1419959), wk = 0.0022727 k( 426) = ( 0.5000000 0.3724965 0.1529187), wk = 0.0022727 k( 427) = ( 0.5000000 0.3724965 0.1638415), wk = 0.0022727 k( 428) = ( 0.5000000 0.3724965 0.1747642), wk = 0.0022727 k( 429) = ( 0.5000000 0.3724965 0.1856870), wk = 0.0022727 k( 430) = ( 0.5000000 0.3724965 0.1966097), wk = 0.0022727 k( 431) = ( 0.5000000 0.3724965 0.2075325), wk = 0.0022727 k( 432) = ( 0.5000000 0.3724965 0.2184553), wk = 0.0022727 k( 433) = ( 0.5000000 0.3724965 0.2293780), wk = 0.0022727 k( 434) = ( 0.5000000 0.3724965 0.2403008), wk = 0.0022727 k( 435) = ( 0.5000000 0.3724965 0.2512236), wk = 0.0022727 k( 436) = ( 0.5000000 0.3724965 0.2621463), wk = 0.0022727 k( 437) = ( 0.5000000 0.3724965 0.2730691), wk = 0.0022727 k( 438) = ( 0.5000000 0.3724965 0.2839919), wk = 0.0022727 k( 439) = ( 0.5000000 0.3724965 0.2949146), wk = 0.0022727 k( 440) = ( 0.5000000 0.3724965 0.3058374), wk = 0.0022727 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022727 k( 2) = ( 0.0111111 0.0000000 0.0000000), wk = 0.0022727 k( 3) = ( 0.0222222 0.0000000 0.0000000), wk = 0.0022727 k( 4) = ( 0.0333333 0.0000000 0.0000000), wk = 0.0022727 k( 5) = ( 0.0444444 0.0000000 0.0000000), wk = 0.0022727 k( 6) = ( 0.0555556 0.0000000 0.0000000), wk = 0.0022727 k( 7) = ( 0.0666667 -0.0000000 0.0000000), wk = 0.0022727 k( 8) = ( 0.0777778 0.0000000 0.0000000), wk = 0.0022727 k( 9) = ( 0.0888889 0.0000000 0.0000000), wk = 0.0022727 k( 10) = ( 0.1000000 0.0000000 0.0000000), wk = 0.0022727 k( 11) = ( 0.1111111 0.0000000 -0.0000000), wk = 0.0022727 k( 12) = ( 0.1222222 0.0000000 0.0000000), wk = 0.0022727 k( 13) = ( 0.1333333 -0.0000000 0.0000000), wk = 0.0022727 k( 14) = ( 0.1444444 0.0000000 0.0000000), wk = 0.0022727 k( 15) = ( 0.1555556 0.0000000 0.0000000), wk = 0.0022727 k( 16) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0022727 k( 17) = ( 0.1777778 0.0000000 0.0000000), wk = 0.0022727 k( 18) = ( 0.1888889 -0.0000000 0.0000000), wk = 0.0022727 k( 19) = ( 0.2000000 0.0000000 0.0000000), wk = 0.0022727 k( 20) = ( 0.2111111 -0.0000000 0.0000000), wk = 0.0022727 k( 21) = ( 0.2222222 0.0000000 -0.0000000), wk = 0.0022727 k( 22) = ( 0.2333333 -0.0000000 0.0000000), wk = 0.0022727 k( 23) = ( 0.2444444 0.0000000 0.0000000), wk = 0.0022727 k( 24) = ( 0.2555556 0.0000000 0.0000000), wk = 0.0022727 k( 25) = ( 0.2666667 0.0000000 0.0000000), wk = 0.0022727 k( 26) = ( 0.2777778 0.0000000 -0.0000000), wk = 0.0022727 k( 27) = ( 0.2888889 0.0000000 0.0000000), wk = 0.0022727 k( 28) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0022727 k( 29) = ( 0.3111111 -0.0000000 0.0000000), wk = 0.0022727 k( 30) = ( 0.3222222 0.0000000 0.0000000), wk = 0.0022727 k( 31) = ( 0.3333333 -0.0000000 0.0000000), wk = 0.0022727 k( 32) = ( 0.3444444 -0.0000000 0.0000000), wk = 0.0022727 k( 33) = ( 0.3555556 0.0000000 0.0000000), wk = 0.0022727 k( 34) = ( 0.3666667 -0.0000000 0.0000000), wk = 0.0022727 k( 35) = ( 0.3777778 -0.0000000 0.0000000), wk = 0.0022727 k( 36) = ( 0.3888889 -0.0000000 0.0000000), wk = 0.0022727 k( 37) = ( 0.4000000 0.0000000 0.0000000), wk = 0.0022727 k( 38) = ( 0.4111111 0.0000000 0.0000000), wk = 0.0022727 k( 39) = ( 0.4222222 -0.0000000 0.0000000), wk = 0.0022727 k( 40) = ( 0.4333333 -0.0000000 0.0000000), wk = 0.0022727 k( 41) = ( 0.4444444 0.0000000 -0.0000000), wk = 0.0022727 k( 42) = ( 0.4555556 -0.0000000 0.0000000), wk = 0.0022727 k( 43) = ( 0.4666667 0.0000000 0.0000000), wk = 0.0022727 k( 44) = ( 0.4777778 -0.0000000 0.0000000), wk = 0.0022727 k( 45) = ( 0.4888889 0.0000000 0.0000000), wk = 0.0022727 k( 46) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0022727 k( 47) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0022727 k( 48) = ( 0.5000000 0.0147059 0.0000000), wk = 0.0022727 k( 49) = ( 0.5000000 0.0294118 0.0000000), wk = 0.0022727 k( 50) = ( 0.5000000 0.0441176 0.0000000), wk = 0.0022727 k( 51) = ( 0.5000000 0.0588235 0.0000000), wk = 0.0022727 k( 52) = ( 0.5000000 0.0735294 0.0000000), wk = 0.0022727 k( 53) = ( 0.5000000 0.0882353 0.0000000), wk = 0.0022727 k( 54) = ( 0.5000000 0.1029412 0.0000000), wk = 0.0022727 k( 55) = ( 0.5000000 0.1176471 -0.0000000), wk = 0.0022727 k( 56) = ( 0.5000000 0.1323529 0.0000000), wk = 0.0022727 k( 57) = ( 0.5000000 0.1470588 0.0000000), wk = 0.0022727 k( 58) = ( 0.5000000 0.1617647 -0.0000000), wk = 0.0022727 k( 59) = ( 0.5000000 0.1764706 -0.0000000), wk = 0.0022727 k( 60) = ( 0.5000000 0.1911765 -0.0000000), wk = 0.0022727 k( 61) = ( 0.5000000 0.2058823 0.0000000), wk = 0.0022727 k( 62) = ( 0.5000000 0.2205882 0.0000000), wk = 0.0022727 k( 63) = ( 0.5000000 0.2352941 0.0000000), wk = 0.0022727 k( 64) = ( 0.5000000 0.2500000 0.0000000), wk = 0.0022727 k( 65) = ( 0.5000000 0.2647059 0.0000000), wk = 0.0022727 k( 66) = ( 0.5000000 0.2794118 -0.0000000), wk = 0.0022727 k( 67) = ( 0.5000000 0.2941176 -0.0000000), wk = 0.0022727 k( 68) = ( 0.5000000 0.3088235 0.0000000), wk = 0.0022727 k( 69) = ( 0.5000000 0.3235294 0.0000000), wk = 0.0022727 k( 70) = ( 0.5000000 0.3382353 0.0000000), wk = 0.0022727 k( 71) = ( 0.5000000 0.3529412 0.0000000), wk = 0.0022727 k( 72) = ( 0.5000000 0.3676471 -0.0000000), wk = 0.0022727 k( 73) = ( 0.5000000 0.3823529 -0.0000000), wk = 0.0022727 k( 74) = ( 0.5000000 0.3970588 0.0000000), wk = 0.0022727 k( 75) = ( 0.5000000 0.4117647 -0.0000000), wk = 0.0022727 k( 76) = ( 0.5000000 0.4264706 0.0000000), wk = 0.0022727 k( 77) = ( 0.5000000 0.4411765 -0.0000000), wk = 0.0022727 k( 78) = ( 0.5000000 0.4558823 -0.0000000), wk = 0.0022727 k( 79) = ( 0.5000000 0.4705882 -0.0000000), wk = 0.0022727 k( 80) = ( 0.5000000 0.4852941 -0.0000000), wk = 0.0022727 k( 81) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0022727 k( 82) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0022727 k( 83) = ( 0.4888889 0.5000000 -0.0000000), wk = 0.0022727 k( 84) = ( 0.4777778 0.5000000 -0.0000000), wk = 0.0022727 k( 85) = ( 0.4666667 0.5000000 -0.0000000), wk = 0.0022727 k( 86) = ( 0.4555556 0.5000000 0.0000000), wk = 0.0022727 k( 87) = ( 0.4444444 0.5000000 0.0000000), wk = 0.0022727 k( 88) = ( 0.4333333 0.5000000 -0.0000000), wk = 0.0022727 k( 89) = ( 0.4222222 0.5000000 -0.0000000), wk = 0.0022727 k( 90) = ( 0.4111111 0.5000000 -0.0000000), wk = 0.0022727 k( 91) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0022727 k( 92) = ( 0.3888889 0.5000000 -0.0000000), wk = 0.0022727 k( 93) = ( 0.3777778 0.5000000 -0.0000000), wk = 0.0022727 k( 94) = ( 0.3666667 0.5000000 -0.0000000), wk = 0.0022727 k( 95) = ( 0.3555556 0.5000000 0.0000000), wk = 0.0022727 k( 96) = ( 0.3444444 0.5000000 -0.0000000), wk = 0.0022727 k( 97) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0022727 k( 98) = ( 0.3222222 0.5000000 -0.0000000), wk = 0.0022727 k( 99) = ( 0.3111111 0.5000000 -0.0000000), wk = 0.0022727 k( 100) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0022727 k( 101) = ( 0.2888889 0.5000000 -0.0000000), wk = 0.0022727 k( 102) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0022727 k( 103) = ( 0.2666667 0.5000000 0.0000000), wk = 0.0022727 k( 104) = ( 0.2555556 0.5000000 -0.0000000), wk = 0.0022727 k( 105) = ( 0.2444444 0.5000000 0.0000000), wk = 0.0022727 k( 106) = ( 0.2333333 0.5000000 -0.0000000), wk = 0.0022727 k( 107) = ( 0.2222222 0.5000000 0.0000000), wk = 0.0022727 k( 108) = ( 0.2111111 0.5000000 -0.0000000), wk = 0.0022727 k( 109) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0022727 k( 110) = ( 0.1888889 0.5000000 -0.0000000), wk = 0.0022727 k( 111) = ( 0.1777778 0.5000000 -0.0000000), wk = 0.0022727 k( 112) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0022727 k( 113) = ( 0.1555556 0.5000000 -0.0000000), wk = 0.0022727 k( 114) = ( 0.1444444 0.5000000 -0.0000000), wk = 0.0022727 k( 115) = ( 0.1333333 0.5000000 -0.0000000), wk = 0.0022727 k( 116) = ( 0.1222222 0.5000000 -0.0000000), wk = 0.0022727 k( 117) = ( 0.1111111 0.5000000 -0.0000000), wk = 0.0022727 k( 118) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0022727 k( 119) = ( 0.0888889 0.5000000 -0.0000000), wk = 0.0022727 k( 120) = ( 0.0777778 0.5000000 -0.0000000), wk = 0.0022727 k( 121) = ( 0.0666667 0.5000000 -0.0000000), wk = 0.0022727 k( 122) = ( 0.0555556 0.5000000 -0.0000000), wk = 0.0022727 k( 123) = ( 0.0444444 0.5000000 -0.0000000), wk = 0.0022727 k( 124) = ( 0.0333333 0.5000000 -0.0000000), wk = 0.0022727 k( 125) = ( 0.0222222 0.5000000 -0.0000000), wk = 0.0022727 k( 126) = ( 0.0111111 0.5000000 -0.0000000), wk = 0.0022727 k( 127) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0022727 k( 128) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0022727 k( 129) = ( 0.0000000 0.4852941 -0.0000000), wk = 0.0022727 k( 130) = ( 0.0000000 0.4705882 -0.0000000), wk = 0.0022727 k( 131) = ( 0.0000000 0.4558823 -0.0000000), wk = 0.0022727 k( 132) = ( 0.0000000 0.4411765 -0.0000000), wk = 0.0022727 k( 133) = ( 0.0000000 0.4264706 -0.0000000), wk = 0.0022727 k( 134) = ( 0.0000000 0.4117647 -0.0000000), wk = 0.0022727 k( 135) = ( 0.0000000 0.3970588 -0.0000000), wk = 0.0022727 k( 136) = ( 0.0000000 0.3823529 -0.0000000), wk = 0.0022727 k( 137) = ( 0.0000000 0.3676471 -0.0000000), wk = 0.0022727 k( 138) = ( 0.0000000 0.3529412 -0.0000000), wk = 0.0022727 k( 139) = ( 0.0000000 0.3382353 -0.0000000), wk = 0.0022727 k( 140) = ( 0.0000000 0.3235294 -0.0000000), wk = 0.0022727 k( 141) = ( 0.0000000 0.3088235 -0.0000000), wk = 0.0022727 k( 142) = ( 0.0000000 0.2941177 -0.0000000), wk = 0.0022727 k( 143) = ( 0.0000000 0.2794118 -0.0000000), wk = 0.0022727 k( 144) = ( 0.0000000 0.2647059 -0.0000000), wk = 0.0022727 k( 145) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0022727 k( 146) = ( 0.0000000 0.2352941 -0.0000000), wk = 0.0022727 k( 147) = ( 0.0000000 0.2205882 -0.0000000), wk = 0.0022727 k( 148) = ( 0.0000000 0.2058823 -0.0000000), wk = 0.0022727 k( 149) = ( 0.0000000 0.1911765 -0.0000000), wk = 0.0022727 k( 150) = ( 0.0000000 0.1764706 -0.0000000), wk = 0.0022727 k( 151) = ( 0.0000000 0.1617647 -0.0000000), wk = 0.0022727 k( 152) = ( 0.0000000 0.1470588 0.0000000), wk = 0.0022727 k( 153) = ( 0.0000000 0.1323529 -0.0000000), wk = 0.0022727 k( 154) = ( 0.0000000 0.1176471 -0.0000000), wk = 0.0022727 k( 155) = ( 0.0000000 0.1029412 -0.0000000), wk = 0.0022727 k( 156) = ( 0.0000000 0.0882353 -0.0000000), wk = 0.0022727 k( 157) = ( 0.0000000 0.0735294 0.0000000), wk = 0.0022727 k( 158) = ( 0.0000000 0.0588235 -0.0000000), wk = 0.0022727 k( 159) = ( 0.0000000 0.0441176 -0.0000000), wk = 0.0022727 k( 160) = ( 0.0000000 0.0294118 0.0000000), wk = 0.0022727 k( 161) = ( 0.0000000 0.0147059 0.0000000), wk = 0.0022727 k( 162) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022727 k( 163) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022727 k( 164) = ( 0.0000000 0.0000000 0.0178571), wk = 0.0022727 k( 165) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0022727 k( 166) = ( 0.0000000 0.0000000 0.0535714), wk = 0.0022727 k( 167) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0022727 k( 168) = ( 0.0000000 0.0000000 0.0892857), wk = 0.0022727 k( 169) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0022727 k( 170) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0022727 k( 171) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0022727 k( 172) = ( 0.0000000 0.0000000 0.1607143), wk = 0.0022727 k( 173) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0022727 k( 174) = ( 0.0000000 0.0000000 0.1964286), wk = 0.0022727 k( 175) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0022727 k( 176) = ( 0.0000000 0.0000000 0.2321429), wk = 0.0022727 k( 177) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0022727 k( 178) = ( 0.0000000 0.0000000 0.2678571), wk = 0.0022727 k( 179) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0022727 k( 180) = ( 0.0000000 0.0000000 0.3035714), wk = 0.0022727 k( 181) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0022727 k( 182) = ( 0.0000000 0.0000000 0.3392857), wk = 0.0022727 k( 183) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0022727 k( 184) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0022727 k( 185) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0022727 k( 186) = ( 0.0000000 0.0000000 0.4107143), wk = 0.0022727 k( 187) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0022727 k( 188) = ( 0.0000000 0.0000000 0.4464286), wk = 0.0022727 k( 189) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0022727 k( 190) = ( 0.0000000 0.0000000 0.4821429), wk = 0.0022727 k( 191) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022727 k( 192) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022727 k( 193) = ( 0.0111111 0.0000000 0.5000000), wk = 0.0022727 k( 194) = ( 0.0222222 0.0000000 0.5000000), wk = 0.0022727 k( 195) = ( 0.0333333 0.0000000 0.5000000), wk = 0.0022727 k( 196) = ( 0.0444444 0.0000000 0.5000000), wk = 0.0022727 k( 197) = ( 0.0555556 0.0000000 0.5000000), wk = 0.0022727 k( 198) = ( 0.0666667 -0.0000000 0.5000000), wk = 0.0022727 k( 199) = ( 0.0777778 0.0000000 0.5000000), wk = 0.0022727 k( 200) = ( 0.0888889 0.0000000 0.5000000), wk = 0.0022727 k( 201) = ( 0.1000000 0.0000000 0.5000000), wk = 0.0022727 k( 202) = ( 0.1111111 0.0000000 0.5000000), wk = 0.0022727 k( 203) = ( 0.1222222 0.0000000 0.5000000), wk = 0.0022727 k( 204) = ( 0.1333333 -0.0000000 0.5000000), wk = 0.0022727 k( 205) = ( 0.1444444 0.0000000 0.5000000), wk = 0.0022727 k( 206) = ( 0.1555556 0.0000000 0.5000000), wk = 0.0022727 k( 207) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0022727 k( 208) = ( 0.1777778 0.0000000 0.5000000), wk = 0.0022727 k( 209) = ( 0.1888889 -0.0000000 0.5000000), wk = 0.0022727 k( 210) = ( 0.2000000 0.0000000 0.5000000), wk = 0.0022727 k( 211) = ( 0.2111111 -0.0000000 0.5000000), wk = 0.0022727 k( 212) = ( 0.2222222 0.0000000 0.5000000), wk = 0.0022727 k( 213) = ( 0.2333333 -0.0000000 0.5000000), wk = 0.0022727 k( 214) = ( 0.2444444 0.0000000 0.5000000), wk = 0.0022727 k( 215) = ( 0.2555556 0.0000000 0.5000000), wk = 0.0022727 k( 216) = ( 0.2666667 0.0000000 0.5000000), wk = 0.0022727 k( 217) = ( 0.2777778 0.0000000 0.5000000), wk = 0.0022727 k( 218) = ( 0.2888889 0.0000000 0.5000000), wk = 0.0022727 k( 219) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0022727 k( 220) = ( 0.3111111 -0.0000000 0.5000000), wk = 0.0022727 k( 221) = ( 0.3222222 0.0000000 0.5000000), wk = 0.0022727 k( 222) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0022727 k( 223) = ( 0.3444444 -0.0000000 0.5000000), wk = 0.0022727 k( 224) = ( 0.3555556 0.0000000 0.5000000), wk = 0.0022727 k( 225) = ( 0.3666667 -0.0000000 0.5000000), wk = 0.0022727 k( 226) = ( 0.3777778 -0.0000000 0.5000000), wk = 0.0022727 k( 227) = ( 0.3888889 -0.0000000 0.5000000), wk = 0.0022727 k( 228) = ( 0.4000000 0.0000000 0.5000000), wk = 0.0022727 k( 229) = ( 0.4111111 0.0000000 0.5000000), wk = 0.0022727 k( 230) = ( 0.4222222 -0.0000000 0.5000000), wk = 0.0022727 k( 231) = ( 0.4333333 -0.0000000 0.5000000), wk = 0.0022727 k( 232) = ( 0.4444444 0.0000000 0.5000000), wk = 0.0022727 k( 233) = ( 0.4555556 -0.0000000 0.5000000), wk = 0.0022727 k( 234) = ( 0.4666667 0.0000000 0.5000000), wk = 0.0022727 k( 235) = ( 0.4777778 -0.0000000 0.5000000), wk = 0.0022727 k( 236) = ( 0.4888889 0.0000000 0.5000000), wk = 0.0022727 k( 237) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022727 k( 238) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022727 k( 239) = ( 0.5000000 0.0147059 0.5000000), wk = 0.0022727 k( 240) = ( 0.5000000 0.0294118 0.5000000), wk = 0.0022727 k( 241) = ( 0.5000000 0.0441176 0.5000000), wk = 0.0022727 k( 242) = ( 0.5000000 0.0588235 0.5000000), wk = 0.0022727 k( 243) = ( 0.5000000 0.0735294 0.5000000), wk = 0.0022727 k( 244) = ( 0.5000000 0.0882353 0.5000000), wk = 0.0022727 k( 245) = ( 0.5000000 0.1029412 0.5000000), wk = 0.0022727 k( 246) = ( 0.5000000 0.1176471 0.5000000), wk = 0.0022727 k( 247) = ( 0.5000000 0.1323529 0.5000000), wk = 0.0022727 k( 248) = ( 0.5000000 0.1470588 0.5000000), wk = 0.0022727 k( 249) = ( 0.5000000 0.1617647 0.5000000), wk = 0.0022727 k( 250) = ( 0.5000000 0.1764706 0.5000000), wk = 0.0022727 k( 251) = ( 0.5000000 0.1911765 0.5000000), wk = 0.0022727 k( 252) = ( 0.5000000 0.2058823 0.5000000), wk = 0.0022727 k( 253) = ( 0.5000000 0.2205882 0.5000000), wk = 0.0022727 k( 254) = ( 0.5000000 0.2352941 0.5000000), wk = 0.0022727 k( 255) = ( 0.5000000 0.2500000 0.5000000), wk = 0.0022727 k( 256) = ( 0.5000000 0.2647059 0.5000000), wk = 0.0022727 k( 257) = ( 0.5000000 0.2794118 0.5000000), wk = 0.0022727 k( 258) = ( 0.5000000 0.2941176 0.5000000), wk = 0.0022727 k( 259) = ( 0.5000000 0.3088235 0.5000000), wk = 0.0022727 k( 260) = ( 0.5000000 0.3235294 0.5000000), wk = 0.0022727 k( 261) = ( 0.5000000 0.3382353 0.5000000), wk = 0.0022727 k( 262) = ( 0.5000000 0.3529412 0.5000000), wk = 0.0022727 k( 263) = ( 0.5000000 0.3676471 0.5000000), wk = 0.0022727 k( 264) = ( 0.5000000 0.3823529 0.5000000), wk = 0.0022727 k( 265) = ( 0.5000000 0.3970588 0.5000000), wk = 0.0022727 k( 266) = ( 0.5000000 0.4117647 0.5000000), wk = 0.0022727 k( 267) = ( 0.5000000 0.4264706 0.5000000), wk = 0.0022727 k( 268) = ( 0.5000000 0.4411765 0.5000000), wk = 0.0022727 k( 269) = ( 0.5000000 0.4558823 0.5000000), wk = 0.0022727 k( 270) = ( 0.5000000 0.4705882 0.5000000), wk = 0.0022727 k( 271) = ( 0.5000000 0.4852941 0.5000000), wk = 0.0022727 k( 272) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022727 k( 273) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022727 k( 274) = ( 0.4888889 0.5000000 0.5000000), wk = 0.0022727 k( 275) = ( 0.4777778 0.5000000 0.5000000), wk = 0.0022727 k( 276) = ( 0.4666667 0.5000000 0.5000000), wk = 0.0022727 k( 277) = ( 0.4555556 0.5000000 0.5000000), wk = 0.0022727 k( 278) = ( 0.4444444 0.5000000 0.5000000), wk = 0.0022727 k( 279) = ( 0.4333333 0.5000000 0.5000000), wk = 0.0022727 k( 280) = ( 0.4222222 0.5000000 0.5000000), wk = 0.0022727 k( 281) = ( 0.4111111 0.5000000 0.5000000), wk = 0.0022727 k( 282) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0022727 k( 283) = ( 0.3888889 0.5000000 0.5000000), wk = 0.0022727 k( 284) = ( 0.3777778 0.5000000 0.5000000), wk = 0.0022727 k( 285) = ( 0.3666667 0.5000000 0.5000000), wk = 0.0022727 k( 286) = ( 0.3555556 0.5000000 0.5000000), wk = 0.0022727 k( 287) = ( 0.3444444 0.5000000 0.5000000), wk = 0.0022727 k( 288) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0022727 k( 289) = ( 0.3222222 0.5000000 0.5000000), wk = 0.0022727 k( 290) = ( 0.3111111 0.5000000 0.5000000), wk = 0.0022727 k( 291) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0022727 k( 292) = ( 0.2888889 0.5000000 0.5000000), wk = 0.0022727 k( 293) = ( 0.2777778 0.5000000 0.5000000), wk = 0.0022727 k( 294) = ( 0.2666667 0.5000000 0.5000000), wk = 0.0022727 k( 295) = ( 0.2555556 0.5000000 0.5000000), wk = 0.0022727 k( 296) = ( 0.2444444 0.5000000 0.5000000), wk = 0.0022727 k( 297) = ( 0.2333333 0.5000000 0.5000000), wk = 0.0022727 k( 298) = ( 0.2222222 0.5000000 0.5000000), wk = 0.0022727 k( 299) = ( 0.2111111 0.5000000 0.5000000), wk = 0.0022727 k( 300) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0022727 k( 301) = ( 0.1888889 0.5000000 0.5000000), wk = 0.0022727 k( 302) = ( 0.1777778 0.5000000 0.5000000), wk = 0.0022727 k( 303) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0022727 k( 304) = ( 0.1555556 0.5000000 0.5000000), wk = 0.0022727 k( 305) = ( 0.1444444 0.5000000 0.5000000), wk = 0.0022727 k( 306) = ( 0.1333333 0.5000000 0.5000000), wk = 0.0022727 k( 307) = ( 0.1222222 0.5000000 0.5000000), wk = 0.0022727 k( 308) = ( 0.1111111 0.5000000 0.5000000), wk = 0.0022727 k( 309) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0022727 k( 310) = ( 0.0888889 0.5000000 0.5000000), wk = 0.0022727 k( 311) = ( 0.0777778 0.5000000 0.5000000), wk = 0.0022727 k( 312) = ( 0.0666667 0.5000000 0.5000000), wk = 0.0022727 k( 313) = ( 0.0555556 0.5000000 0.5000000), wk = 0.0022727 k( 314) = ( 0.0444444 0.5000000 0.5000000), wk = 0.0022727 k( 315) = ( 0.0333333 0.5000000 0.5000000), wk = 0.0022727 k( 316) = ( 0.0222222 0.5000000 0.5000000), wk = 0.0022727 k( 317) = ( 0.0111111 0.5000000 0.5000000), wk = 0.0022727 k( 318) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022727 k( 319) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022727 k( 320) = ( 0.0000000 0.4852941 0.5000000), wk = 0.0022727 k( 321) = ( 0.0000000 0.4705882 0.5000000), wk = 0.0022727 k( 322) = ( 0.0000000 0.4558823 0.5000000), wk = 0.0022727 k( 323) = ( 0.0000000 0.4411765 0.5000000), wk = 0.0022727 k( 324) = ( 0.0000000 0.4264706 0.5000000), wk = 0.0022727 k( 325) = ( 0.0000000 0.4117647 0.5000000), wk = 0.0022727 k( 326) = ( 0.0000000 0.3970588 0.5000000), wk = 0.0022727 k( 327) = ( 0.0000000 0.3823529 0.5000000), wk = 0.0022727 k( 328) = ( 0.0000000 0.3676471 0.5000000), wk = 0.0022727 k( 329) = ( 0.0000000 0.3529412 0.5000000), wk = 0.0022727 k( 330) = ( 0.0000000 0.3382353 0.5000000), wk = 0.0022727 k( 331) = ( 0.0000000 0.3235294 0.5000000), wk = 0.0022727 k( 332) = ( 0.0000000 0.3088235 0.5000000), wk = 0.0022727 k( 333) = ( 0.0000000 0.2941177 0.5000000), wk = 0.0022727 k( 334) = ( 0.0000000 0.2794118 0.5000000), wk = 0.0022727 k( 335) = ( 0.0000000 0.2647059 0.5000000), wk = 0.0022727 k( 336) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0022727 k( 337) = ( 0.0000000 0.2352941 0.5000000), wk = 0.0022727 k( 338) = ( 0.0000000 0.2205882 0.5000000), wk = 0.0022727 k( 339) = ( 0.0000000 0.2058823 0.5000000), wk = 0.0022727 k( 340) = ( 0.0000000 0.1911765 0.5000000), wk = 0.0022727 k( 341) = ( 0.0000000 0.1764706 0.5000000), wk = 0.0022727 k( 342) = ( 0.0000000 0.1617647 0.5000000), wk = 0.0022727 k( 343) = ( 0.0000000 0.1470588 0.5000000), wk = 0.0022727 k( 344) = ( 0.0000000 0.1323529 0.5000000), wk = 0.0022727 k( 345) = ( 0.0000000 0.1176471 0.5000000), wk = 0.0022727 k( 346) = ( 0.0000000 0.1029412 0.5000000), wk = 0.0022727 k( 347) = ( 0.0000000 0.0882353 0.5000000), wk = 0.0022727 k( 348) = ( 0.0000000 0.0735294 0.5000000), wk = 0.0022727 k( 349) = ( 0.0000000 0.0588235 0.5000000), wk = 0.0022727 k( 350) = ( 0.0000000 0.0441176 0.5000000), wk = 0.0022727 k( 351) = ( 0.0000000 0.0294118 0.5000000), wk = 0.0022727 k( 352) = ( 0.0000000 0.0147059 0.5000000), wk = 0.0022727 k( 353) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022727 k( 354) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0022727 k( 355) = ( 0.0000000 0.5000000 0.0178571), wk = 0.0022727 k( 356) = ( 0.0000000 0.5000000 0.0357143), wk = 0.0022727 k( 357) = ( 0.0000000 0.5000000 0.0535714), wk = 0.0022727 k( 358) = ( 0.0000000 0.5000000 0.0714286), wk = 0.0022727 k( 359) = ( 0.0000000 0.5000000 0.0892857), wk = 0.0022727 k( 360) = ( 0.0000000 0.5000000 0.1071429), wk = 0.0022727 k( 361) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0022727 k( 362) = ( 0.0000000 0.5000000 0.1428571), wk = 0.0022727 k( 363) = ( 0.0000000 0.5000000 0.1607143), wk = 0.0022727 k( 364) = ( 0.0000000 0.5000000 0.1785714), wk = 0.0022727 k( 365) = ( 0.0000000 0.5000000 0.1964286), wk = 0.0022727 k( 366) = ( 0.0000000 0.5000000 0.2142857), wk = 0.0022727 k( 367) = ( 0.0000000 0.5000000 0.2321429), wk = 0.0022727 k( 368) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0022727 k( 369) = ( 0.0000000 0.5000000 0.2678571), wk = 0.0022727 k( 370) = ( 0.0000000 0.5000000 0.2857143), wk = 0.0022727 k( 371) = ( 0.0000000 0.5000000 0.3035714), wk = 0.0022727 k( 372) = ( 0.0000000 0.5000000 0.3214286), wk = 0.0022727 k( 373) = ( 0.0000000 0.5000000 0.3392857), wk = 0.0022727 k( 374) = ( 0.0000000 0.5000000 0.3571429), wk = 0.0022727 k( 375) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0022727 k( 376) = ( 0.0000000 0.5000000 0.3928571), wk = 0.0022727 k( 377) = ( 0.0000000 0.5000000 0.4107143), wk = 0.0022727 k( 378) = ( 0.0000000 0.5000000 0.4285714), wk = 0.0022727 k( 379) = ( 0.0000000 0.5000000 0.4464286), wk = 0.0022727 k( 380) = ( 0.0000000 0.5000000 0.4642857), wk = 0.0022727 k( 381) = ( 0.0000000 0.5000000 0.4821429), wk = 0.0022727 k( 382) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022727 k( 383) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022727 k( 384) = ( 0.5000000 0.0000000 0.4821429), wk = 0.0022727 k( 385) = ( 0.5000000 0.0000000 0.4642857), wk = 0.0022727 k( 386) = ( 0.5000000 0.0000000 0.4464286), wk = 0.0022727 k( 387) = ( 0.5000000 0.0000000 0.4285714), wk = 0.0022727 k( 388) = ( 0.5000000 0.0000000 0.4107143), wk = 0.0022727 k( 389) = ( 0.5000000 0.0000000 0.3928571), wk = 0.0022727 k( 390) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0022727 k( 391) = ( 0.5000000 0.0000000 0.3571429), wk = 0.0022727 k( 392) = ( 0.5000000 0.0000000 0.3392857), wk = 0.0022727 k( 393) = ( 0.5000000 0.0000000 0.3214286), wk = 0.0022727 k( 394) = ( 0.5000000 0.0000000 0.3035714), wk = 0.0022727 k( 395) = ( 0.5000000 0.0000000 0.2857143), wk = 0.0022727 k( 396) = ( 0.5000000 0.0000000 0.2678571), wk = 0.0022727 k( 397) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0022727 k( 398) = ( 0.5000000 0.0000000 0.2321429), wk = 0.0022727 k( 399) = ( 0.5000000 0.0000000 0.2142857), wk = 0.0022727 k( 400) = ( 0.5000000 0.0000000 0.1964286), wk = 0.0022727 k( 401) = ( 0.5000000 0.0000000 0.1785714), wk = 0.0022727 k( 402) = ( 0.5000000 0.0000000 0.1607143), wk = 0.0022727 k( 403) = ( 0.5000000 0.0000000 0.1428571), wk = 0.0022727 k( 404) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0022727 k( 405) = ( 0.5000000 0.0000000 0.1071429), wk = 0.0022727 k( 406) = ( 0.5000000 0.0000000 0.0892857), wk = 0.0022727 k( 407) = ( 0.5000000 0.0000000 0.0714286), wk = 0.0022727 k( 408) = ( 0.5000000 0.0000000 0.0535714), wk = 0.0022727 k( 409) = ( 0.5000000 0.0000000 0.0357143), wk = 0.0022727 k( 410) = ( 0.5000000 0.0000000 0.0178571), wk = 0.0022727 k( 411) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0022727 k( 412) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0022727 k( 413) = ( 0.5000000 0.5000000 0.0178571), wk = 0.0022727 k( 414) = ( 0.5000000 0.5000000 0.0357143), wk = 0.0022727 k( 415) = ( 0.5000000 0.5000000 0.0535714), wk = 0.0022727 k( 416) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0022727 k( 417) = ( 0.5000000 0.5000000 0.0892857), wk = 0.0022727 k( 418) = ( 0.5000000 0.5000000 0.1071429), wk = 0.0022727 k( 419) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0022727 k( 420) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0022727 k( 421) = ( 0.5000000 0.5000000 0.1607143), wk = 0.0022727 k( 422) = ( 0.5000000 0.5000000 0.1785714), wk = 0.0022727 k( 423) = ( 0.5000000 0.5000000 0.1964286), wk = 0.0022727 k( 424) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0022727 k( 425) = ( 0.5000000 0.5000000 0.2321429), wk = 0.0022727 k( 426) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0022727 k( 427) = ( 0.5000000 0.5000000 0.2678571), wk = 0.0022727 k( 428) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0022727 k( 429) = ( 0.5000000 0.5000000 0.3035714), wk = 0.0022727 k( 430) = ( 0.5000000 0.5000000 0.3214286), wk = 0.0022727 k( 431) = ( 0.5000000 0.5000000 0.3392857), wk = 0.0022727 k( 432) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0022727 k( 433) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0022727 k( 434) = ( 0.5000000 0.5000000 0.3928571), wk = 0.0022727 k( 435) = ( 0.5000000 0.5000000 0.4107143), wk = 0.0022727 k( 436) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0022727 k( 437) = ( 0.5000000 0.5000000 0.4464286), wk = 0.0022727 k( 438) = ( 0.5000000 0.5000000 0.4642857), wk = 0.0022727 k( 439) = ( 0.5000000 0.5000000 0.4821429), wk = 0.0022727 k( 440) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022727 Dense grid: 40375 G-vectors FFT dimensions: ( 36, 45, 54) Smooth grid: 24279 G-vectors FFT dimensions: ( 27, 40, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.14 Mb ( 188, 48) NL pseudopotentials 0.18 Mb ( 94, 124) Each V/rho on FFT grid 0.05 Mb ( 3240) Each G-vector array 0.01 Mb ( 1121) G-vector shells 0.00 Mb ( 570) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.55 Mb ( 188, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.18 Mb ( 124, 2, 48) The potential is recalculated from file : ./NiAs2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.0 secs Computing kpt #: 2 total cpu time spent up to now is 2.4 secs Computing kpt #: 3 total cpu time spent up to now is 2.8 secs Computing kpt #: 4 total cpu time spent up to now is 3.2 secs Computing kpt #: 5 total cpu time spent up to now is 3.5 secs Computing kpt #: 6 total cpu time spent up to now is 3.8 secs Computing kpt #: 7 total cpu time spent up to now is 4.1 secs Computing kpt #: 8 total cpu time spent up to now is 4.5 secs Computing kpt #: 9 total cpu time spent up to now is 4.8 secs Computing kpt #: 10 total cpu time spent up to now is 5.1 secs Computing kpt #: 11 total cpu time spent up to now is 5.4 secs Computing kpt #: 12 total cpu time spent up to now is 5.7 secs Computing kpt #: 13 total cpu time spent up to now is 6.0 secs Computing kpt #: 14 total cpu time spent up to now is 6.3 secs Computing kpt #: 15 total cpu time spent up to now is 6.5 secs Computing kpt #: 16 total cpu time spent up to now is 6.8 secs Computing kpt #: 17 total cpu time spent up to now is 7.1 secs Computing kpt #: 18 total cpu time spent up to now is 7.4 secs Computing kpt #: 19 total cpu time spent up to now is 7.7 secs Computing kpt #: 20 total cpu time spent up to now is 8.0 secs Computing kpt #: 21 total cpu time spent up to now is 8.3 secs Computing kpt #: 22 total cpu time spent up to now is 8.6 secs Computing kpt #: 23 total cpu time spent up to now is 8.9 secs Computing kpt #: 24 total cpu time spent up to now is 9.1 secs Computing kpt #: 25 total cpu time spent up to now is 9.4 secs Computing kpt #: 26 total cpu time spent up to now is 9.7 secs Computing kpt #: 27 total cpu time spent up to now is 10.0 secs Computing kpt #: 28 total cpu time spent up to now is 10.3 secs Computing kpt #: 29 total cpu time spent up to now is 10.6 secs Computing kpt #: 30 total cpu time spent up to now is 10.9 secs Computing kpt #: 31 total cpu time spent up to now is 11.2 secs Computing kpt #: 32 total cpu time spent up to now is 11.5 secs Computing kpt #: 33 total cpu time spent up to now is 11.8 secs Computing kpt #: 34 total cpu time spent up to now is 12.1 secs Computing kpt #: 35 total cpu time spent up to now is 12.4 secs Computing kpt #: 36 total cpu time spent up to now is 12.7 secs Computing kpt #: 37 total cpu time spent up to now is 13.0 secs Computing kpt #: 38 total cpu time spent up to now is 13.3 secs Computing kpt #: 39 total cpu time spent up to now is 13.6 secs Computing kpt #: 40 total cpu time spent up to now is 13.9 secs Computing kpt #: 41 total cpu time spent up to now is 14.2 secs Computing kpt #: 42 total cpu time spent up to now is 14.5 secs Computing kpt #: 43 total cpu time spent up to now is 14.8 secs Computing kpt #: 44 total cpu time spent up to now is 15.1 secs Computing kpt #: 45 total cpu time spent up to now is 15.4 secs Computing kpt #: 46 total cpu time spent up to now is 15.7 secs Computing kpt #: 47 total cpu time spent up to now is 15.9 secs Computing kpt #: 48 total cpu time spent up to now is 16.2 secs Computing kpt #: 49 total cpu time spent up to now is 16.5 secs Computing kpt #: 50 total cpu time spent up to now is 16.8 secs Computing kpt #: 51 total cpu time spent up to now is 17.1 secs Computing kpt #: 52 total cpu time spent up to now is 17.4 secs Computing kpt #: 53 total cpu time spent up to now is 17.7 secs Computing kpt #: 54 total cpu time spent up to now is 18.0 secs Computing kpt #: 55 total cpu time spent up to now is 18.3 secs Computing kpt #: 56 total cpu time spent up to now is 18.6 secs Computing kpt #: 57 total cpu time spent up to now is 18.9 secs Computing kpt #: 58 total cpu time spent up to now is 19.2 secs Computing kpt #: 59 total cpu time spent up to now is 19.5 secs Computing kpt #: 60 total cpu time spent up to now is 19.8 secs Computing kpt #: 61 total cpu time spent up to now is 20.1 secs Computing kpt #: 62 total cpu time spent up to now is 20.4 secs Computing kpt #: 63 total cpu time spent up to now is 20.6 secs Computing kpt #: 64 total cpu time spent up to now is 20.9 secs Computing kpt #: 65 total cpu time spent up to now is 21.2 secs Computing kpt #: 66 total cpu time spent up to now is 21.5 secs Computing kpt #: 67 total cpu time spent up to now is 21.7 secs Computing kpt #: 68 total cpu time spent up to now is 22.0 secs Computing kpt #: 69 total cpu time spent up to now is 22.3 secs Computing kpt #: 70 total cpu time spent up to now is 22.6 secs Computing kpt #: 71 total cpu time spent up to now is 22.9 secs Computing kpt #: 72 total cpu time spent up to now is 23.2 secs Computing kpt #: 73 total cpu time spent up to now is 23.4 secs Computing kpt #: 74 total cpu time spent up to now is 23.7 secs Computing kpt #: 75 total cpu time spent up to now is 24.0 secs Computing kpt #: 76 total cpu time spent up to now is 24.3 secs Computing kpt #: 77 total cpu time spent up to now is 24.6 secs Computing kpt #: 78 total cpu time spent up to now is 24.9 secs Computing kpt #: 79 total cpu time spent up to now is 25.2 secs Computing kpt #: 80 total cpu time spent up to now is 25.5 secs Computing kpt #: 81 total cpu time spent up to now is 25.8 secs Computing kpt #: 82 total cpu time spent up to now is 26.1 secs Computing kpt #: 83 total cpu time spent up to now is 26.4 secs Computing kpt #: 84 total cpu time spent up to now is 26.7 secs Computing kpt #: 85 total cpu time spent up to now is 27.0 secs Computing kpt #: 86 total cpu time spent up to now is 27.3 secs Computing kpt #: 87 total cpu time spent up to now is 27.7 secs Computing kpt #: 88 total cpu time spent up to now is 28.0 secs Computing kpt #: 89 total cpu time spent up to now is 28.3 secs Computing kpt #: 90 total cpu time spent up to now is 28.6 secs Computing kpt #: 91 total cpu time spent up to now is 28.9 secs Computing kpt #: 92 total cpu time spent up to now is 29.2 secs Computing kpt #: 93 total cpu time spent up to now is 29.5 secs Computing kpt #: 94 total cpu time spent up to now is 29.8 secs Computing kpt #: 95 total cpu time spent up to now is 30.1 secs Computing kpt #: 96 total cpu time spent up to now is 30.4 secs Computing kpt #: 97 total cpu time spent up to now is 30.7 secs Computing kpt #: 98 total cpu time spent up to now is 31.0 secs Computing kpt #: 99 total cpu time spent up to now is 31.3 secs Computing kpt #: 100 total cpu time spent up to now is 31.6 secs Computing kpt #: 101 total cpu time spent up to now is 31.9 secs Computing kpt #: 102 total cpu time spent up to now is 32.2 secs Computing kpt #: 103 total cpu time spent up to now is 32.5 secs Computing kpt #: 104 total cpu time spent up to now is 32.8 secs Computing kpt #: 105 total cpu time spent up to now is 33.0 secs Computing kpt #: 106 total cpu time spent up to now is 33.4 secs Computing kpt #: 107 total cpu time spent up to now is 33.6 secs Computing kpt #: 108 total cpu time spent up to now is 33.9 secs Computing kpt #: 109 total cpu time spent up to now is 34.2 secs Computing kpt #: 110 total cpu time spent up to now is 34.5 secs Computing kpt #: 111 total cpu time spent up to now is 34.8 secs Computing kpt #: 112 total cpu time spent up to now is 35.1 secs Computing kpt #: 113 total cpu time spent up to now is 35.4 secs Computing kpt #: 114 total cpu time spent up to now is 35.8 secs Computing kpt #: 115 total cpu time spent up to now is 36.1 secs Computing kpt #: 116 total cpu time spent up to now is 36.4 secs Computing kpt #: 117 total cpu time spent up to now is 36.7 secs Computing kpt #: 118 total cpu time spent up to now is 37.0 secs Computing kpt #: 119 total cpu time spent up to now is 37.3 secs Computing kpt #: 120 total cpu time spent up to now is 37.6 secs Computing kpt #: 121 total cpu time spent up to now is 38.0 secs Computing kpt #: 122 total cpu time spent up to now is 38.3 secs Computing kpt #: 123 total cpu time spent up to now is 38.6 secs Computing kpt #: 124 total cpu time spent up to now is 39.0 secs Computing kpt #: 125 total cpu time spent up to now is 39.3 secs Computing kpt #: 126 total cpu time spent up to now is 39.7 secs Computing kpt #: 127 total cpu time spent up to now is 40.0 secs Computing kpt #: 128 total cpu time spent up to now is 40.4 secs Computing kpt #: 129 total cpu time spent up to now is 40.8 secs Computing kpt #: 130 total cpu time spent up to now is 41.2 secs Computing kpt #: 131 total cpu time spent up to now is 41.5 secs Computing kpt #: 132 total cpu time spent up to now is 41.9 secs Computing kpt #: 133 total cpu time spent up to now is 42.2 secs Computing kpt #: 134 total cpu time spent up to now is 42.6 secs Computing kpt #: 135 total cpu time spent up to now is 42.9 secs Computing kpt #: 136 total cpu time spent up to now is 43.3 secs Computing kpt #: 137 total cpu time spent up to now is 43.7 secs Computing kpt #: 138 total cpu time spent up to now is 44.0 secs Computing kpt #: 139 total cpu time spent up to now is 44.4 secs Computing kpt #: 140 total cpu time spent up to now is 44.7 secs Computing kpt #: 141 total cpu time spent up to now is 45.1 secs Computing kpt #: 142 total cpu time spent up to now is 45.5 secs Computing kpt #: 143 total cpu time spent up to now is 45.9 secs Computing kpt #: 144 total cpu time spent up to now is 46.3 secs Computing kpt #: 145 total cpu time spent up to now is 46.6 secs Computing kpt #: 146 total cpu time spent up to now is 47.0 secs Computing kpt #: 147 total cpu time spent up to now is 47.4 secs Computing kpt #: 148 total cpu time spent up to now is 47.7 secs Computing kpt #: 149 total cpu time spent up to now is 48.1 secs Computing kpt #: 150 total cpu time spent up to now is 48.4 secs Computing kpt #: 151 total cpu time spent up to now is 48.7 secs Computing kpt #: 152 total cpu time spent up to now is 49.1 secs Computing kpt #: 153 total cpu time spent up to now is 49.4 secs Computing kpt #: 154 total cpu time spent up to now is 49.7 secs Computing kpt #: 155 total cpu time spent up to now is 50.1 secs Computing kpt #: 156 total cpu time spent up to now is 50.5 secs Computing kpt #: 157 total cpu time spent up to now is 50.9 secs Computing kpt #: 158 total cpu time spent up to now is 51.3 secs Computing kpt #: 159 total cpu time spent up to now is 51.7 secs Computing kpt #: 160 total cpu time spent up to now is 52.1 secs Computing kpt #: 161 total cpu time spent up to now is 52.6 secs Computing kpt #: 162 total cpu time spent up to now is 53.0 secs Computing kpt #: 163 total cpu time spent up to now is 53.4 secs Computing kpt #: 164 total cpu time spent up to now is 53.9 secs Computing kpt #: 165 total cpu time spent up to now is 54.3 secs Computing kpt #: 166 total cpu time spent up to now is 54.7 secs Computing kpt #: 167 total cpu time spent up to now is 55.1 secs Computing kpt #: 168 total cpu time spent up to now is 55.5 secs Computing kpt #: 169 total cpu time spent up to now is 55.9 secs Computing kpt #: 170 total cpu time spent up to now is 56.3 secs Computing kpt #: 171 total cpu time spent up to now is 56.7 secs Computing kpt #: 172 total cpu time spent up to now is 57.0 secs Computing kpt #: 173 total cpu time spent up to now is 57.4 secs Computing kpt #: 174 total cpu time spent up to now is 57.7 secs Computing kpt #: 175 total cpu time spent up to now is 58.0 secs Computing kpt #: 176 total cpu time spent up to now is 58.3 secs Computing kpt #: 177 total cpu time spent up to now is 58.6 secs Computing kpt #: 178 total cpu time spent up to now is 59.0 secs Computing kpt #: 179 total cpu time spent up to now is 59.3 secs Computing kpt #: 180 total cpu time spent up to now is 59.6 secs Computing kpt #: 181 total cpu time spent up to now is 59.9 secs Computing kpt #: 182 total cpu time spent up to now is 60.2 secs Computing kpt #: 183 total cpu time spent up to now is 60.5 secs Computing kpt #: 184 total cpu time spent up to now is 60.9 secs Computing kpt #: 185 total cpu time spent up to now is 61.2 secs Computing kpt #: 186 total cpu time spent up to now is 61.6 secs Computing kpt #: 187 total cpu time spent up to now is 61.9 secs Computing kpt #: 188 total cpu time spent up to now is 62.3 secs Computing kpt #: 189 total cpu time spent up to now is 62.6 secs Computing kpt #: 190 total cpu time spent up to now is 63.0 secs Computing kpt #: 191 total cpu time spent up to now is 63.5 secs Computing kpt #: 192 total cpu time spent up to now is 63.8 secs Computing kpt #: 193 total cpu time spent up to now is 64.2 secs Computing kpt #: 194 total cpu time spent up to now is 64.6 secs Computing kpt #: 195 total cpu time spent up to now is 64.9 secs Computing kpt #: 196 total cpu time spent up to now is 65.3 secs Computing kpt #: 197 total cpu time spent up to now is 65.6 secs Computing kpt #: 198 total cpu time spent up to now is 66.0 secs Computing kpt #: 199 total cpu time spent up to now is 66.4 secs Computing kpt #: 200 total cpu time spent up to now is 66.7 secs Computing kpt #: 201 total cpu time spent up to now is 67.1 secs Computing kpt #: 202 total cpu time spent up to now is 67.4 secs Computing kpt #: 203 total cpu time spent up to now is 67.7 secs Computing kpt #: 204 total cpu time spent up to now is 68.0 secs Computing kpt #: 205 total cpu time spent up to now is 68.3 secs Computing kpt #: 206 total cpu time spent up to now is 68.7 secs Computing kpt #: 207 total cpu time spent up to now is 69.0 secs Computing kpt #: 208 total cpu time spent up to now is 69.3 secs Computing kpt #: 209 total cpu time spent up to now is 69.6 secs Computing kpt #: 210 total cpu time spent up to now is 69.9 secs Computing kpt #: 211 total cpu time spent up to now is 70.2 secs Computing kpt #: 212 total cpu time spent up to now is 70.5 secs Computing kpt #: 213 total cpu time spent up to now is 70.9 secs Computing kpt #: 214 total cpu time spent up to now is 71.2 secs Computing kpt #: 215 total cpu time spent up to now is 71.5 secs Computing kpt #: 216 total cpu time spent up to now is 71.8 secs Computing kpt #: 217 total cpu time spent up to now is 72.1 secs Computing kpt #: 218 total cpu time spent up to now is 72.4 secs Computing kpt #: 219 total cpu time spent up to now is 72.7 secs Computing kpt #: 220 total cpu time spent up to now is 73.0 secs Computing kpt #: 221 total cpu time spent up to now is 73.3 secs Computing kpt #: 222 total cpu time spent up to now is 73.7 secs Computing kpt #: 223 total cpu time spent up to now is 74.0 secs Computing kpt #: 224 total cpu time spent up to now is 74.3 secs Computing kpt #: 225 total cpu time spent up to now is 74.6 secs Computing kpt #: 226 total cpu time spent up to now is 74.9 secs Computing kpt #: 227 total cpu time spent up to now is 75.2 secs Computing kpt #: 228 total cpu time spent up to now is 75.5 secs Computing kpt #: 229 total cpu time spent up to now is 75.8 secs Computing kpt #: 230 total cpu time spent up to now is 76.1 secs Computing kpt #: 231 total cpu time spent up to now is 76.4 secs Computing kpt #: 232 total cpu time spent up to now is 76.7 secs Computing kpt #: 233 total cpu time spent up to now is 77.0 secs Computing kpt #: 234 total cpu time spent up to now is 77.3 secs Computing kpt #: 235 total cpu time spent up to now is 77.6 secs Computing kpt #: 236 total cpu time spent up to now is 77.9 secs Computing kpt #: 237 total cpu time spent up to now is 78.2 secs Computing kpt #: 238 total cpu time spent up to now is 78.5 secs Computing kpt #: 239 total cpu time spent up to now is 78.8 secs Computing kpt #: 240 total cpu time spent up to now is 79.1 secs Computing kpt #: 241 total cpu time spent up to now is 79.4 secs Computing kpt #: 242 total cpu time spent up to now is 79.7 secs Computing kpt #: 243 total cpu time spent up to now is 80.0 secs Computing kpt #: 244 total cpu time spent up to now is 80.3 secs Computing kpt #: 245 total cpu time spent up to now is 80.6 secs Computing kpt #: 246 total cpu time spent up to now is 80.9 secs Computing kpt #: 247 total cpu time spent up to now is 81.3 secs Computing kpt #: 248 total cpu time spent up to now is 81.6 secs Computing kpt #: 249 total cpu time spent up to now is 81.9 secs Computing kpt #: 250 total cpu time spent up to now is 82.2 secs Computing kpt #: 251 total cpu time spent up to now is 82.5 secs Computing kpt #: 252 total cpu time spent up to now is 82.8 secs Computing kpt #: 253 total cpu time spent up to now is 83.1 secs Computing kpt #: 254 total cpu time spent up to now is 83.4 secs Computing kpt #: 255 total cpu time spent up to now is 83.7 secs Computing kpt #: 256 total cpu time spent up to now is 84.0 secs Computing kpt #: 257 total cpu time spent up to now is 84.3 secs Computing kpt #: 258 total cpu time spent up to now is 84.6 secs Computing kpt #: 259 total cpu time spent up to now is 84.9 secs Computing kpt #: 260 total cpu time spent up to now is 85.3 secs Computing kpt #: 261 total cpu time spent up to now is 85.6 secs Computing kpt #: 262 total cpu time spent up to now is 85.9 secs Computing kpt #: 263 total cpu time spent up to now is 86.2 secs Computing kpt #: 264 total cpu time spent up to now is 86.6 secs Computing kpt #: 265 total cpu time spent up to now is 86.9 secs Computing kpt #: 266 total cpu time spent up to now is 87.3 secs Computing kpt #: 267 total cpu time spent up to now is 87.6 secs Computing kpt #: 268 total cpu time spent up to now is 87.9 secs Computing kpt #: 269 total cpu time spent up to now is 88.3 secs Computing kpt #: 270 total cpu time spent up to now is 88.6 secs Computing kpt #: 271 total cpu time spent up to now is 88.9 secs Computing kpt #: 272 total cpu time spent up to now is 89.3 secs Computing kpt #: 273 total cpu time spent up to now is 89.6 secs Computing kpt #: 274 total cpu time spent up to now is 89.9 secs Computing kpt #: 275 total cpu time spent up to now is 90.2 secs Computing kpt #: 276 total cpu time spent up to now is 90.6 secs Computing kpt #: 277 total cpu time spent up to now is 90.9 secs Computing kpt #: 278 total cpu time spent up to now is 91.2 secs Computing kpt #: 279 total cpu time spent up to now is 91.6 secs Computing kpt #: 280 total cpu time spent up to now is 91.9 secs Computing kpt #: 281 total cpu time spent up to now is 92.2 secs Computing kpt #: 282 total cpu time spent up to now is 92.5 secs Computing kpt #: 283 total cpu time spent up to now is 92.8 secs Computing kpt #: 284 total cpu time spent up to now is 93.1 secs Computing kpt #: 285 total cpu time spent up to now is 93.5 secs Computing kpt #: 286 total cpu time spent up to now is 93.8 secs Computing kpt #: 287 total cpu time spent up to now is 94.1 secs Computing kpt #: 288 total cpu time spent up to now is 94.4 secs Computing kpt #: 289 total cpu time spent up to now is 94.7 secs Computing kpt #: 290 total cpu time spent up to now is 95.0 secs Computing kpt #: 291 total cpu time spent up to now is 95.2 secs Computing kpt #: 292 total cpu time spent up to now is 95.6 secs Computing kpt #: 293 total cpu time spent up to now is 95.9 secs Computing kpt #: 294 total cpu time spent up to now is 96.3 secs Computing kpt #: 295 total cpu time spent up to now is 96.6 secs Computing kpt #: 296 total cpu time spent up to now is 96.9 secs Computing kpt #: 297 total cpu time spent up to now is 97.2 secs Computing kpt #: 298 total cpu time spent up to now is 97.5 secs Computing kpt #: 299 total cpu time spent up to now is 97.8 secs Computing kpt #: 300 total cpu time spent up to now is 98.1 secs Computing kpt #: 301 total cpu time spent up to now is 98.3 secs Computing kpt #: 302 total cpu time spent up to now is 99.1 secs Computing kpt #: 303 total cpu time spent up to now is 99.4 secs Computing kpt #: 304 total cpu time spent up to now is 99.7 secs Computing kpt #: 305 total cpu time spent up to now is 99.9 secs Computing kpt #: 306 total cpu time spent up to now is 100.2 secs Computing kpt #: 307 total cpu time spent up to now is 100.5 secs Computing kpt #: 308 total cpu time spent up to now is 100.8 secs Computing kpt #: 309 total cpu time spent up to now is 101.0 secs Computing kpt #: 310 total cpu time spent up to now is 101.3 secs Computing kpt #: 311 total cpu time spent up to now is 101.6 secs Computing kpt #: 312 total cpu time spent up to now is 101.9 secs Computing kpt #: 313 total cpu time spent up to now is 102.1 secs Computing kpt #: 314 total cpu time spent up to now is 102.4 secs Computing kpt #: 315 total cpu time spent up to now is 102.7 secs Computing kpt #: 316 total cpu time spent up to now is 103.0 secs Computing kpt #: 317 total cpu time spent up to now is 103.2 secs Computing kpt #: 318 total cpu time spent up to now is 103.5 secs Computing kpt #: 319 total cpu time spent up to now is 103.7 secs Computing kpt #: 320 total cpu time spent up to now is 104.0 secs Computing kpt #: 321 total cpu time spent up to now is 104.3 secs Computing kpt #: 322 total cpu time spent up to now is 104.5 secs Computing kpt #: 323 total cpu time spent up to now is 104.8 secs Computing kpt #: 324 total cpu time spent up to now is 105.1 secs Computing kpt #: 325 total cpu time spent up to now is 105.3 secs Computing kpt #: 326 total cpu time spent up to now is 105.6 secs Computing kpt #: 327 total cpu time spent up to now is 105.9 secs Computing kpt #: 328 total cpu time spent up to now is 106.2 secs Computing kpt #: 329 total cpu time spent up to now is 106.4 secs Computing kpt #: 330 total cpu time spent up to now is 106.7 secs Computing kpt #: 331 total cpu time spent up to now is 107.0 secs Computing kpt #: 332 total cpu time spent up to now is 107.3 secs Computing kpt #: 333 total cpu time spent up to now is 107.6 secs Computing kpt #: 334 total cpu time spent up to now is 107.9 secs Computing kpt #: 335 total cpu time spent up to now is 108.2 secs Computing kpt #: 336 total cpu time spent up to now is 108.5 secs Computing kpt #: 337 total cpu time spent up to now is 108.8 secs Computing kpt #: 338 total cpu time spent up to now is 109.1 secs Computing kpt #: 339 total cpu time spent up to now is 109.5 secs Computing kpt #: 340 total cpu time spent up to now is 109.8 secs Computing kpt #: 341 total cpu time spent up to now is 110.1 secs Computing kpt #: 342 total cpu time spent up to now is 110.5 secs Computing kpt #: 343 total cpu time spent up to now is 110.8 secs Computing kpt #: 344 total cpu time spent up to now is 111.2 secs Computing kpt #: 345 total cpu time spent up to now is 111.6 secs Computing kpt #: 346 total cpu time spent up to now is 111.9 secs Computing kpt #: 347 total cpu time spent up to now is 112.3 secs Computing kpt #: 348 total cpu time spent up to now is 112.7 secs Computing kpt #: 349 total cpu time spent up to now is 113.0 secs Computing kpt #: 350 total cpu time spent up to now is 113.4 secs Computing kpt #: 351 total cpu time spent up to now is 113.8 secs Computing kpt #: 352 total cpu time spent up to now is 114.1 secs Computing kpt #: 353 total cpu time spent up to now is 114.5 secs Computing kpt #: 354 total cpu time spent up to now is 114.8 secs Computing kpt #: 355 total cpu time spent up to now is 115.2 secs Computing kpt #: 356 total cpu time spent up to now is 115.6 secs Computing kpt #: 357 total cpu time spent up to now is 115.9 secs Computing kpt #: 358 total cpu time spent up to now is 116.3 secs Computing kpt #: 359 total cpu time spent up to now is 116.6 secs Computing kpt #: 360 total cpu time spent up to now is 117.0 secs Computing kpt #: 361 total cpu time spent up to now is 117.3 secs Computing kpt #: 362 total cpu time spent up to now is 117.7 secs Computing kpt #: 363 total cpu time spent up to now is 118.0 secs Computing kpt #: 364 total cpu time spent up to now is 118.3 secs Computing kpt #: 365 total cpu time spent up to now is 118.7 secs Computing kpt #: 366 total cpu time spent up to now is 119.0 secs Computing kpt #: 367 total cpu time spent up to now is 119.3 secs Computing kpt #: 368 total cpu time spent up to now is 119.6 secs Computing kpt #: 369 total cpu time spent up to now is 119.9 secs Computing kpt #: 370 total cpu time spent up to now is 120.2 secs Computing kpt #: 371 total cpu time spent up to now is 120.5 secs Computing kpt #: 372 total cpu time spent up to now is 120.7 secs Computing kpt #: 373 total cpu time spent up to now is 121.0 secs Computing kpt #: 374 total cpu time spent up to now is 121.3 secs Computing kpt #: 375 total cpu time spent up to now is 121.6 secs Computing kpt #: 376 total cpu time spent up to now is 121.8 secs Computing kpt #: 377 total cpu time spent up to now is 122.1 secs Computing kpt #: 378 total cpu time spent up to now is 122.4 secs Computing kpt #: 379 total cpu time spent up to now is 122.6 secs Computing kpt #: 380 total cpu time spent up to now is 122.9 secs Computing kpt #: 381 total cpu time spent up to now is 123.1 secs Computing kpt #: 382 total cpu time spent up to now is 123.4 secs Computing kpt #: 383 total cpu time spent up to now is 123.7 secs Computing kpt #: 384 total cpu time spent up to now is 124.0 secs Computing kpt #: 385 total cpu time spent up to now is 124.3 secs Computing kpt #: 386 total cpu time spent up to now is 124.6 secs Computing kpt #: 387 total cpu time spent up to now is 124.9 secs Computing kpt #: 388 total cpu time spent up to now is 125.2 secs Computing kpt #: 389 total cpu time spent up to now is 125.5 secs Computing kpt #: 390 total cpu time spent up to now is 125.8 secs Computing kpt #: 391 total cpu time spent up to now is 126.1 secs Computing kpt #: 392 total cpu time spent up to now is 126.4 secs Computing kpt #: 393 total cpu time spent up to now is 126.8 secs Computing kpt #: 394 total cpu time spent up to now is 127.1 secs Computing kpt #: 395 total cpu time spent up to now is 127.4 secs Computing kpt #: 396 total cpu time spent up to now is 127.7 secs Computing kpt #: 397 total cpu time spent up to now is 128.0 secs Computing kpt #: 398 total cpu time spent up to now is 128.3 secs Computing kpt #: 399 total cpu time spent up to now is 128.7 secs Computing kpt #: 400 total cpu time spent up to now is 129.0 secs Computing kpt #: 401 total cpu time spent up to now is 129.3 secs Computing kpt #: 402 total cpu time spent up to now is 129.7 secs Computing kpt #: 403 total cpu time spent up to now is 130.0 secs Computing kpt #: 404 total cpu time spent up to now is 130.3 secs Computing kpt #: 405 total cpu time spent up to now is 130.6 secs Computing kpt #: 406 total cpu time spent up to now is 130.9 secs Computing kpt #: 407 total cpu time spent up to now is 131.2 secs Computing kpt #: 408 total cpu time spent up to now is 131.5 secs Computing kpt #: 409 total cpu time spent up to now is 131.8 secs Computing kpt #: 410 total cpu time spent up to now is 132.1 secs Computing kpt #: 411 total cpu time spent up to now is 132.4 secs Computing kpt #: 412 total cpu time spent up to now is 132.7 secs Computing kpt #: 413 total cpu time spent up to now is 133.0 secs Computing kpt #: 414 total cpu time spent up to now is 133.3 secs Computing kpt #: 415 total cpu time spent up to now is 133.6 secs Computing kpt #: 416 total cpu time spent up to now is 133.9 secs Computing kpt #: 417 total cpu time spent up to now is 134.2 secs Computing kpt #: 418 total cpu time spent up to now is 134.5 secs Computing kpt #: 419 total cpu time spent up to now is 134.9 secs Computing kpt #: 420 total cpu time spent up to now is 135.2 secs Computing kpt #: 421 total cpu time spent up to now is 135.5 secs Computing kpt #: 422 total cpu time spent up to now is 135.9 secs Computing kpt #: 423 total cpu time spent up to now is 136.2 secs Computing kpt #: 424 total cpu time spent up to now is 136.5 secs Computing kpt #: 425 total cpu time spent up to now is 136.9 secs Computing kpt #: 426 total cpu time spent up to now is 137.2 secs Computing kpt #: 427 total cpu time spent up to now is 137.6 secs Computing kpt #: 428 total cpu time spent up to now is 137.9 secs Computing kpt #: 429 total cpu time spent up to now is 138.3 secs Computing kpt #: 430 total cpu time spent up to now is 138.6 secs Computing kpt #: 431 total cpu time spent up to now is 139.0 secs Computing kpt #: 432 total cpu time spent up to now is 139.3 secs Computing kpt #: 433 total cpu time spent up to now is 139.7 secs Computing kpt #: 434 total cpu time spent up to now is 140.0 secs Computing kpt #: 435 total cpu time spent up to now is 140.4 secs Computing kpt #: 436 total cpu time spent up to now is 140.7 secs Computing kpt #: 437 total cpu time spent up to now is 141.1 secs Computing kpt #: 438 total cpu time spent up to now is 141.4 secs Computing kpt #: 439 total cpu time spent up to now is 141.7 secs Computing kpt #: 440 total cpu time spent up to now is 142.0 secs ethr = 2.50E-08, avg # of iterations = 16.0 total cpu time spent up to now is 142.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3025 PWs) bands (ev): -4.6041 -4.6041 -1.7455 -1.7455 -0.5765 -0.5765 0.4508 0.4508 3.4454 3.4454 4.7159 4.7159 5.5996 5.5996 6.4225 6.4225 6.4603 6.4603 6.5324 6.5324 6.6428 6.6428 7.1973 7.1973 7.3954 7.3954 7.4330 7.4330 7.4773 7.4773 7.5359 7.5359 7.6758 7.6758 7.9614 7.9614 7.9718 7.9718 9.7065 9.7065 10.7681 10.7681 12.8556 12.8556 13.1785 13.1785 13.3548 13.3548 k = 0.0111-0.0000-0.0000 ( 3025 PWs) bands (ev): -4.6029 -4.6029 -1.7452 -1.7452 -0.5756 -0.5756 0.4512 0.4512 3.4468 3.4468 4.7161 4.7161 5.6003 5.6003 6.4164 6.4164 6.4345 6.4345 6.5645 6.5645 6.6435 6.6435 7.1872 7.1872 7.3928 7.3928 7.4248 7.4248 7.4853 7.4853 7.5364 7.5364 7.6751 7.6751 7.9643 7.9643 7.9732 7.9732 9.7090 9.7090 10.7616 10.7616 12.8279 12.8279 13.1770 13.1770 13.3799 13.3799 k = 0.0222-0.0000-0.0000 ( 3021 PWs) bands (ev): -4.5993 -4.5993 -1.7443 -1.7443 -0.5731 -0.5731 0.4523 0.4523 3.4510 3.4510 4.7166 4.7166 5.6022 5.6022 6.3727 6.3727 6.4254 6.4254 6.6163 6.6163 6.6470 6.6470 7.1566 7.1566 7.3840 7.3840 7.4134 7.4134 7.4978 7.4978 7.5385 7.5385 7.6737 7.6737 7.9586 7.9586 7.9900 7.9900 9.7163 9.7163 10.7424 10.7424 12.7566 12.7566 13.1749 13.1749 13.4409 13.4409 k = 0.0333-0.0000-0.0000 ( 3025 PWs) bands (ev): -4.5933 -4.5933 -1.7428 -1.7428 -0.5690 -0.5690 0.4542 0.4542 3.4579 3.4579 4.7174 4.7174 5.6054 5.6054 6.3194 6.3194 6.4232 6.4232 6.6412 6.6412 6.6815 6.6815 7.1064 7.1064 7.3716 7.3716 7.4065 7.4065 7.5064 7.5064 7.5425 7.5425 7.6729 7.6729 7.9455 7.9455 8.0171 8.0171 9.7283 9.7283 10.7111 10.7111 12.6605 12.6605 13.1735 13.1735 13.5117 13.5117 k = 0.0444-0.0000-0.0000 ( 3025 PWs) bands (ev): -4.5850 -4.5850 -1.7408 -1.7408 -0.5632 -0.5632 0.4569 0.4569 3.4677 3.4677 4.7184 4.7184 5.6099 5.6099 6.2658 6.2658 6.4208 6.4208 6.6450 6.6450 6.7379 6.7379 7.0406 7.0406 7.3597 7.3597 7.4018 7.4018 7.5104 7.5104 7.5480 7.5480 7.6738 7.6738 7.9269 7.9269 8.0486 8.0486 9.7445 9.7445 10.6685 10.6685 12.5517 12.5517 13.1719 13.1719 13.4335 13.4335 k = 0.0556-0.0000-0.0000 ( 3033 PWs) bands (ev): -4.5743 -4.5743 -1.7382 -1.7382 -0.5558 -0.5558 0.4603 0.4603 3.4802 3.4802 4.7195 4.7195 5.6155 5.6155 6.2127 6.2127 6.4179 6.4179 6.6479 6.6479 6.7908 6.7908 6.9680 6.9680 7.3489 7.3489 7.3978 7.3978 7.5112 7.5112 7.5534 7.5534 7.6771 7.6771 7.9029 7.9029 8.0812 8.0812 9.7643 9.7643 10.6158 10.6158 12.4367 12.4367 13.1685 13.1685 13.3361 13.3361 k = 0.0667-0.0000-0.0000 ( 3041 PWs) bands (ev): -4.5612 -4.5612 -1.7352 -1.7352 -0.5467 -0.5467 0.4645 0.4645 3.4956 3.4956 4.7205 4.7205 5.6224 5.6224 6.1606 6.1606 6.4145 6.4145 6.6509 6.6509 6.8092 6.8092 6.9219 6.9219 7.3384 7.3384 7.3942 7.3942 7.5105 7.5105 7.5581 7.5581 7.6827 7.6827 7.8734 7.8734 8.1128 8.1128 9.7873 9.7873 10.5545 10.5545 12.3188 12.3188 13.1591 13.1591 13.2278 13.2278 k = 0.0778-0.0000-0.0000 ( 3041 PWs) bands (ev): -4.5457 -4.5457 -1.7318 -1.7318 -0.5361 -0.5361 0.4693 0.4693 3.5136 3.5136 4.7212 4.7212 5.6303 5.6303 6.1096 6.1096 6.4106 6.4106 6.6534 6.6534 6.7455 6.7455 6.9534 6.9534 7.3271 7.3271 7.3914 7.3914 7.5091 7.5091 7.5618 7.5618 7.6904 7.6904 7.8386 7.8386 8.1421 8.1421 9.8127 9.8127 10.4858 10.4858 12.2003 12.2003 13.0892 13.0892 13.1647 13.1647 k = 0.0889-0.0000-0.0000 ( 3041 PWs) bands (ev): -4.5279 -4.5279 -1.7281 -1.7281 -0.5238 -0.5238 0.4748 0.4748 3.5344 3.5344 4.7214 4.7214 5.6394 5.6394 6.0599 6.0599 6.4060 6.4060 6.6375 6.6375 6.6720 6.6720 7.0095 7.0095 7.3146 7.3146 7.3896 7.3896 7.5072 7.5072 7.5645 7.5645 7.6999 7.6999 7.7986 7.7986 8.1685 8.1685 9.8399 9.8399 10.4111 10.4111 12.0826 12.0826 12.9594 12.9594 13.1480 13.1480 k = 0.1000-0.0000-0.0000 ( 3046 PWs) bands (ev): -4.5078 -4.5078 -1.7241 -1.7241 -0.5100 -0.5100 0.4809 0.4809 3.5580 3.5580 4.7206 4.7206 5.6495 5.6495 6.0113 6.0113 6.4004 6.4004 6.5474 6.5474 6.6677 6.6677 7.0690 7.0690 7.3006 7.3006 7.3893 7.3893 7.5052 7.5052 7.5662 7.5662 7.7107 7.7107 7.7539 7.7539 8.1917 8.1917 9.8683 9.8683 10.3317 10.3317 11.9668 11.9668 12.8194 12.8194 13.1294 13.1294 k = 0.1111-0.0000-0.0000 ( 3042 PWs) bands (ev): -4.4854 -4.4854 -1.7199 -1.7199 -0.4946 -0.4946 0.4876 0.4876 3.5842 3.5842 4.7186 4.7186 5.6606 5.6606 5.9639 5.9639 6.3903 6.3903 6.4518 6.4518 6.6718 6.6718 7.1271 7.1271 7.2855 7.2855 7.3910 7.3910 7.5033 7.5033 7.5667 7.5667 7.7029 7.7029 7.7249 7.7249 8.2117 8.2117 9.8972 9.8972 10.2490 10.2490 11.8540 11.8540 12.6734 12.6734 13.1057 13.1057 k = 0.1222-0.0000-0.0000 ( 3046 PWs) bands (ev): -4.4607 -4.4607 -1.7157 -1.7157 -0.4778 -0.4778 0.4948 0.4948 3.6132 3.6132 4.7147 4.7147 5.6724 5.6724 5.9179 5.9179 6.3347 6.3347 6.4013 6.4013 6.6769 6.6769 7.1788 7.1788 7.2710 7.2710 7.3961 7.3961 7.5017 7.5017 7.5640 7.5640 7.6541 7.6541 7.7369 7.7369 8.2285 8.2285 9.9259 9.9259 10.1642 10.1642 11.7449 11.7449 12.5234 12.5234 13.0761 13.0761 k = 0.1333-0.0000-0.0000 ( 3040 PWs) bands (ev): -4.4336 -4.4336 -1.7116 -1.7116 -0.4594 -0.4594 0.5026 0.5026 3.6448 3.6448 4.7085 4.7085 5.6850 5.6850 5.8731 5.8731 6.2408 6.2408 6.3915 6.3915 6.6824 6.6824 7.2108 7.2108 7.2665 7.2665 7.4062 7.4062 7.4995 7.4995 7.5481 7.5481 7.6169 7.6169 7.7505 7.7505 8.2423 8.2423 9.9527 9.9527 10.0797 10.0797 11.6402 11.6402 12.3708 12.3708 13.0403 13.0403 k = 0.1444-0.0000-0.0000 ( 3040 PWs) bands (ev): -4.4044 -4.4044 -1.7077 -1.7077 -0.4397 -0.4397 0.5108 0.5108 3.6790 3.6790 4.6992 4.6992 5.6983 5.6983 5.8297 5.8297 6.1475 6.1475 6.3846 6.3846 6.6879 6.6879 7.2065 7.2065 7.2834 7.2834 7.4217 7.4217 7.4814 7.4814 7.5215 7.5215 7.6096 7.6096 7.7646 7.7646 8.2534 8.2534 9.9589 9.9589 10.0145 10.0145 11.5405 11.5405 12.2165 12.2165 12.9983 12.9983 k = 0.1556-0.0000-0.0000 ( 3034 PWs) bands (ev): -4.3729 -4.3729 -1.7041 -1.7041 -0.4185 -0.4185 0.5193 0.5193 3.7158 3.7158 4.6862 4.6862 5.7121 5.7121 5.7877 5.7877 6.0594 6.0594 6.3780 6.3780 6.6931 6.6931 7.1864 7.1864 7.2987 7.2987 7.4233 7.4233 7.4394 7.4394 7.5227 7.5227 7.6237 7.6237 7.7789 7.7789 8.2620 8.2620 9.8899 9.8899 10.0238 10.0238 11.4464 11.4464 12.0615 12.0615 12.9502 12.9502 k = 0.1667-0.0000-0.0000 ( 3038 PWs) bands (ev): -4.3391 -4.3391 -1.7010 -1.7010 -0.3959 -0.3959 0.5282 0.5282 3.7552 3.7552 4.6686 4.6686 5.7261 5.7261 5.7471 5.7471 5.9781 5.9781 6.3712 6.3712 6.6976 6.6976 7.1617 7.1617 7.2987 7.2987 7.3622 7.3622 7.4487 7.4487 7.5319 7.5319 7.6561 7.6561 7.7935 7.7935 8.2682 8.2682 9.8037 9.8037 10.0496 10.0496 11.3584 11.3584 11.9066 11.9066 12.8963 12.8963 k = 0.1778-0.0000-0.0000 ( 3036 PWs) bands (ev): -4.3032 -4.3032 -1.6986 -1.6986 -0.3721 -0.3721 0.5374 0.5374 3.7970 3.7970 4.6459 4.6459 5.7075 5.7075 5.7407 5.7407 5.9051 5.9051 6.3640 6.3640 6.7009 6.7009 7.1343 7.1343 7.2552 7.2552 7.3337 7.3337 7.4524 7.4524 7.5398 7.5398 7.7047 7.7047 7.8085 7.8085 8.2723 8.2723 9.7161 9.7161 10.0766 10.0766 11.2768 11.2768 11.7523 11.7523 12.8370 12.8370 k = 0.1889-0.0000-0.0000 ( 3046 PWs) bands (ev): -4.2652 -4.2652 -1.6970 -1.6970 -0.3470 -0.3470 0.5467 0.5467 3.8413 3.8413 4.6176 4.6176 5.6698 5.6698 5.7547 5.7547 5.8416 5.8416 6.3560 6.3560 6.7018 6.7018 7.1045 7.1045 7.1822 7.1822 7.3298 7.3298 7.4524 7.4524 7.5446 7.5446 7.7625 7.7625 7.8255 7.8255 8.2745 8.2745 9.6284 9.6284 10.1035 10.1035 11.2020 11.2020 11.5993 11.5993 12.7729 12.7729 k = 0.2000-0.0000-0.0000 ( 3050 PWs) bands (ev): -4.2250 -4.2250 -1.6965 -1.6965 -0.3207 -0.3207 0.5561 0.5561 3.8878 3.8878 4.5835 4.5835 5.6337 5.6337 5.7671 5.7671 5.7895 5.7895 6.3472 6.3472 6.6985 6.6985 7.0702 7.0702 7.1086 7.1086 7.3285 7.3285 7.4506 7.4506 7.5475 7.5475 7.8130 7.8130 7.8563 7.8563 8.2748 8.2748 9.5411 9.5411 10.1301 10.1301 11.1342 11.1342 11.4479 11.4479 12.7047 12.7047 k = 0.2111-0.0000-0.0000 ( 3042 PWs) bands (ev): -4.1828 -4.1828 -1.6971 -1.6971 -0.2933 -0.2933 0.5656 0.5656 3.9364 3.9364 4.5442 4.5442 5.5994 5.5994 5.7423 5.7423 5.7841 5.7841 6.3374 6.3374 6.6876 6.6876 7.0171 7.0171 7.0563 7.0563 7.3274 7.3274 7.4479 7.4479 7.5494 7.5494 7.8366 7.8366 7.9176 7.9176 8.2736 8.2736 9.4544 9.4544 10.1562 10.1562 11.0737 11.0737 11.2989 11.2989 12.6330 12.6330 k = 0.2222-0.0000-0.0000 ( 3048 PWs) bands (ev): -4.1385 -4.1385 -1.6992 -1.6992 -0.2648 -0.2648 0.5750 0.5750 3.9869 3.9869 4.5003 4.5003 5.5667 5.5667 5.7089 5.7089 5.7960 5.7960 6.3260 6.3260 6.6634 6.6634 6.9558 6.9558 7.0221 7.0221 7.3260 7.3260 7.4447 7.4447 7.5507 7.5507 7.8509 7.8509 7.9900 7.9900 8.2709 8.2709 9.3682 9.3682 10.1819 10.1819 11.0202 11.0202 11.1527 11.1527 12.5586 12.5586 k = 0.2333-0.0000-0.0000 ( 3044 PWs) bands (ev): -4.0923 -4.0923 -1.7029 -1.7029 -0.2353 -0.2353 0.5842 0.5842 4.0387 4.0387 4.4534 4.4534 5.5361 5.5361 5.6845 5.6845 5.8071 5.8071 6.3127 6.3127 6.6199 6.6199 6.9084 6.9084 6.9916 6.9916 7.3243 7.3243 7.4414 7.4414 7.5515 7.5515 7.8630 7.8630 8.0656 8.0656 8.2669 8.2669 9.2825 9.2825 10.2072 10.2072 10.9708 10.9708 11.0130 11.0130 12.4821 12.4821 k = 0.2444-0.0000-0.0000 ( 3046 PWs) bands (ev): -4.0441 -4.0441 -1.7084 -1.7084 -0.2049 -0.2049 0.5932 0.5932 4.0906 4.0906 4.4058 4.4058 5.5071 5.5071 5.6685 5.6685 5.8159 5.8159 6.2971 6.2971 6.5562 6.5562 6.8790 6.8790 6.9631 6.9631 7.3223 7.3223 7.4383 7.4383 7.5522 7.5522 7.8738 7.8738 8.1420 8.1420 8.2625 8.2625 9.1973 9.1973 10.2323 10.2323 10.8643 10.8643 10.9412 10.9412 12.4042 12.4042 k = 0.2556-0.0000-0.0000 ( 3048 PWs) bands (ev): -3.9940 -3.9940 -1.7159 -1.7159 -0.1736 -0.1736 0.6019 0.6019 4.1391 4.1391 4.3624 4.3624 5.4799 5.4799 5.6601 5.6601 5.8217 5.8217 6.2788 6.2788 6.4786 6.4786 6.8629 6.8629 6.9369 6.9369 7.3201 7.3201 7.4355 7.4355 7.5529 7.5529 7.8838 7.8838 8.2132 8.2132 8.2625 8.2625 9.1127 9.1127 10.2572 10.2572 10.7295 10.7295 10.9090 10.9090 12.3256 12.3256 k = 0.2667-0.0000-0.0000 ( 3052 PWs) bands (ev): -3.9421 -3.9421 -1.7257 -1.7257 -0.1416 -0.1416 0.6101 0.6101 4.1736 4.1736 4.3350 4.3350 5.4543 5.4543 5.6583 5.6583 5.8225 5.8225 6.2572 6.2572 6.3949 6.3949 6.8539 6.8539 6.9137 6.9137 7.3177 7.3177 7.4334 7.4334 7.5536 7.5536 7.8931 7.8931 8.2367 8.2367 8.3092 8.3092 9.0285 9.0285 10.2819 10.2819 10.5979 10.5979 10.8850 10.8850 12.2467 12.2467 k = 0.2778-0.0000-0.0000 ( 3042 PWs) bands (ev): -3.8884 -3.8884 -1.7379 -1.7379 -0.1089 -0.1089 0.6178 0.6178 4.1737 4.1737 4.3453 4.3453 5.4306 5.4306 5.6622 5.6622 5.8160 5.8160 6.2321 6.2321 6.3119 6.3119 6.8478 6.8478 6.8944 6.8944 7.3150 7.3150 7.4322 7.4322 7.5545 7.5545 7.9018 7.9018 8.2305 8.2305 8.3837 8.3837 8.9451 8.9451 10.3064 10.3064 10.4714 10.4714 10.8682 10.8682 12.1683 12.1683 k = 0.2889-0.0000-0.0000 ( 3038 PWs) bands (ev): -3.8330 -3.8330 -1.7526 -1.7526 -0.0756 -0.0756 0.6248 0.6248 4.1438 4.1438 4.3896 4.3896 5.4088 5.4088 5.6707 5.6707 5.7981 5.7981 6.2024 6.2024 6.2366 6.2366 6.8419 6.8419 6.8795 6.8795 7.3119 7.3119 7.4323 7.4323 7.5555 7.5555 7.9101 7.9101 8.2205 8.2205 8.4594 8.4594 8.8625 8.8625 10.3263 10.3263 10.3554 10.3554 10.8578 10.8578 12.0905 12.0905 k = 0.3000-0.0000-0.0000 ( 3034 PWs) bands (ev): -3.7759 -3.7759 -1.7702 -1.7702 -0.0418 -0.0418 0.6311 0.6311 4.1046 4.1046 4.4485 4.4485 5.3887 5.3887 5.6830 5.6830 5.7645 5.7645 6.1625 6.1625 6.1806 6.1806 6.8348 6.8348 6.8692 6.8692 7.3085 7.3085 7.4341 7.4341 7.5568 7.5568 7.9180 7.9180 8.2089 8.2089 8.5325 8.5325 8.7815 8.7815 10.2338 10.2338 10.3587 10.3587 10.8533 10.8533 12.0139 12.0139 k = 0.3111-0.0000-0.0000 ( 3038 PWs) bands (ev): -3.7173 -3.7173 -1.7907 -1.7907 -0.0077 -0.0077 0.6365 0.6365 4.0650 4.0650 4.5136 4.5136 5.3706 5.3706 5.6948 5.6948 5.7157 5.7157 6.1172 6.1172 6.1434 6.1434 6.8263 6.8263 6.8626 6.8626 7.3044 7.3044 7.4378 7.4378 7.5584 7.5584 7.9257 7.9257 8.1959 8.1959 8.5977 8.5977 8.7062 8.7062 10.1280 10.1280 10.3837 10.3837 10.8543 10.8543 11.9386 11.9386 k = 0.3222-0.0000-0.0000 ( 3038 PWs) bands (ev): -3.6572 -3.6572 -1.8141 -1.8141 0.0267 0.0267 0.6410 0.6410 4.0281 4.0281 4.5824 4.5824 5.3545 5.3545 5.6387 5.6387 5.7197 5.7197 6.0805 6.0805 6.1106 6.1106 6.8166 6.8166 6.8590 6.8590 7.2996 7.2996 7.4436 7.4436 7.5604 7.5604 7.9333 7.9333 8.1818 8.1818 8.6013 8.6013 8.6885 8.6885 10.0319 10.0319 10.4095 10.4095 10.8600 10.8600 11.8650 11.8650 k = 0.3333-0.0000-0.0000 ( 3040 PWs) bands (ev): -3.5957 -3.5957 -1.8408 -1.8408 0.0612 0.0612 0.6444 0.6444 3.9956 3.9956 4.6537 4.6537 5.3405 5.3405 5.5556 5.5556 5.7401 5.7401 6.0447 6.0447 6.0860 6.0860 6.8047 6.8047 6.8584 6.8584 7.2941 7.2941 7.4519 7.4519 7.5629 7.5629 7.9409 7.9409 8.1666 8.1666 8.5314 8.5314 8.7383 8.7383 9.9482 9.9482 10.4359 10.4359 10.8696 10.8696 11.7931 11.7931 k = 0.3444-0.0000-0.0000 ( 3050 PWs) bands (ev): -3.5330 -3.5330 -1.8706 -1.8706 0.0958 0.0958 0.6466 0.6466 3.9681 3.9681 4.7270 4.7270 5.3286 5.3286 5.4641 5.4641 5.7625 5.7625 6.0046 6.0046 6.0711 6.0711 6.7895 6.7895 6.8610 6.8610 7.2878 7.2878 7.4626 7.4626 7.5659 7.5659 7.9485 7.9485 8.1506 8.1506 8.4564 8.4564 8.7843 8.7843 9.8801 9.8801 10.4629 10.4629 10.8821 10.8821 11.7232 11.7232 k = 0.3556-0.0000-0.0000 ( 3050 PWs) bands (ev): -3.4690 -3.4690 -1.9037 -1.9037 0.1303 0.1303 0.6476 0.6476 3.9464 3.9464 4.8017 4.8017 5.3184 5.3184 5.3689 5.3689 5.7861 5.7861 5.9617 5.9617 6.0617 6.0617 6.7703 6.7703 6.8671 6.8671 7.2805 7.2805 7.4757 7.4757 7.5695 7.5695 7.9563 7.9563 8.1339 8.1339 8.3829 8.3829 8.8169 8.8169 9.8315 9.8315 10.4906 10.4906 10.8966 10.8966 11.6552 11.6552 k = 0.3667-0.0000-0.0000 ( 3050 PWs) bands (ev): -3.4039 -3.4039 -1.9399 -1.9399 0.1646 0.1646 0.6472 0.6472 3.9308 3.9308 4.8773 4.8773 5.2692 5.2692 5.3135 5.3135 5.8095 5.8095 5.9189 5.9189 6.0545 6.0545 6.7467 6.7467 6.8763 6.8763 7.2725 7.2725 7.4912 7.4912 7.5737 7.5737 7.9640 7.9640 8.1165 8.1165 8.3122 8.3122 8.8321 8.8321 9.8056 9.8056 10.5190 10.5190 10.9115 10.9115 11.5892 11.5892 k = 0.3778-0.0000-0.0000 ( 3046 PWs) bands (ev): -3.3379 -3.3379 -1.9794 -1.9794 0.1985 0.1985 0.6454 0.6454 3.9215 3.9215 4.9522 4.9522 5.1739 5.1739 5.3079 5.3079 5.8261 5.8261 5.8832 5.8832 6.0478 6.0478 6.7185 6.7185 6.8883 6.8883 7.2638 7.2638 7.5088 7.5088 7.5790 7.5790 7.9709 7.9709 8.0989 8.0989 8.2457 8.2457 8.8282 8.8282 9.8040 9.8040 10.5483 10.5483 10.9255 10.9255 11.5252 11.5252 k = 0.3889-0.0000-0.0000 ( 3046 PWs) bands (ev): -3.2710 -3.2710 -2.0221 -2.0221 0.2320 0.2320 0.6420 0.6420 3.9187 3.9187 5.0130 5.0130 5.0936 5.0936 5.3054 5.3054 5.8086 5.8086 5.8825 5.8825 6.0404 6.0404 6.6857 6.6857 6.9027 6.9027 7.2541 7.2541 7.5283 7.5283 7.5853 7.5853 7.9760 7.9760 8.0805 8.0805 8.1854 8.1854 8.8064 8.8064 9.8253 9.8253 10.5785 10.5785 10.9366 10.9366 11.4632 11.4632 k = 0.4000-0.0000-0.0000 ( 3046 PWs) bands (ev): -3.2034 -3.2034 -2.0678 -2.0678 0.2649 0.2649 0.6370 0.6370 3.9226 3.9226 4.9639 4.9639 5.1248 5.1248 5.3056 5.3056 5.7686 5.7686 5.9055 5.9055 6.0316 6.0316 6.6486 6.6486 6.9191 6.9191 7.2434 7.2434 7.5492 7.5492 7.5930 7.5930 7.9769 7.9769 8.0586 8.0586 8.1373 8.1373 8.7701 8.7701 9.8661 9.8661 10.6097 10.6097 10.9426 10.9426 11.4031 11.4031 k = 0.4111-0.0000-0.0000 ( 3042 PWs) bands (ev): -3.1352 -3.1352 -2.1164 -2.1164 0.2971 0.2971 0.6304 0.6304 3.9331 3.9331 4.8739 4.8739 5.1990 5.1990 5.3084 5.3084 5.7259 5.7259 5.9325 5.9325 6.0212 6.0212 6.6075 6.6075 6.9372 6.9372 7.2319 7.2319 7.5707 7.5707 7.6028 7.6028 7.9708 7.9708 8.0258 8.0258 8.1123 8.1123 8.7237 8.7237 9.9219 9.9219 10.6419 10.6419 10.9415 10.9415 11.3450 11.3450 k = 0.4222-0.0000-0.0000 ( 3038 PWs) bands (ev): -3.0666 -3.0666 -2.1678 -2.1678 0.3284 0.3284 0.6221 0.6221 3.9501 3.9501 4.7832 4.7832 5.2756 5.2756 5.3140 5.3140 5.6837 5.6837 5.9591 5.9591 6.0102 6.0102 6.5627 6.5627 6.9565 6.9565 7.2194 7.2194 7.5913 7.5913 7.6161 7.6161 7.9551 7.9551 7.9856 7.9856 8.1099 8.1099 8.6710 8.6710 9.9887 9.9887 10.6752 10.6752 10.9311 10.9311 11.2888 11.2888 k = 0.4333-0.0000-0.0000 ( 3030 PWs) bands (ev): -2.9978 -2.9978 -2.2218 -2.2218 0.3588 0.3588 0.6121 0.6121 3.9737 3.9737 4.6948 4.6948 5.3219 5.3219 5.3520 5.3520 5.6435 5.6435 5.9726 5.9726 6.0101 6.0101 6.5149 6.5149 6.9770 6.9770 7.2059 7.2059 7.6089 7.6089 7.6349 7.6349 7.9249 7.9249 7.9528 7.9528 8.1206 8.1206 8.6152 8.6152 10.0633 10.0633 10.7097 10.7097 10.9096 10.9096 11.2345 11.2345 k = 0.4444-0.0000-0.0000 ( 3026 PWs) bands (ev): -2.9288 -2.9288 -2.2783 -2.2783 0.3881 0.3881 0.6002 0.6002 4.0037 4.0037 4.6094 4.6094 5.3330 5.3330 5.4251 5.4251 5.6068 5.6068 5.9589 5.9589 6.0342 6.0342 6.4650 6.4650 6.9980 6.9980 7.1914 7.1914 7.6243 7.6243 7.6583 7.6583 7.8855 7.8855 7.9277 7.9277 8.1391 8.1391 8.5585 8.5585 10.1431 10.1431 10.7454 10.7454 10.8763 10.8763 11.1819 11.1819 k = 0.4556-0.0000-0.0000 ( 3030 PWs) bands (ev): -2.8600 -2.8600 -2.3369 -2.3369 0.4162 0.4162 0.5866 0.5866 4.0398 4.0398 4.5276 4.5276 5.3467 5.3467 5.4880 5.4880 5.5803 5.5803 5.9344 5.9344 6.0660 6.0660 6.4140 6.4140 7.0194 7.0194 7.1758 7.1758 7.6397 7.6397 7.6839 7.6839 7.8467 7.8467 7.9030 7.9030 8.1633 8.1633 8.5025 8.5025 10.2260 10.2260 10.7825 10.7825 10.8314 10.8314 11.1311 11.1311 k = 0.4667-0.0000-0.0000 ( 3030 PWs) bands (ev): -2.7914 -2.7914 -2.3976 -2.3976 0.4429 0.4429 0.5712 0.5712 4.0821 4.0821 4.4497 4.4497 5.3632 5.3632 5.5054 5.5054 5.5987 5.5987 5.9033 5.9033 6.1005 6.1005 6.3629 6.3629 7.0409 7.0409 7.1591 7.1591 7.6563 7.6563 7.7103 7.7103 7.8112 7.8112 7.8775 7.8775 8.1922 8.1922 8.4484 8.4484 10.3107 10.3107 10.7757 10.7757 10.8209 10.8209 11.0820 11.0820 k = 0.4778-0.0000-0.0000 ( 3044 PWs) bands (ev): -2.7234 -2.7234 -2.4601 -2.4601 0.4683 0.4683 0.5540 0.5540 4.1301 4.1301 4.3761 4.3761 5.3823 5.3823 5.4829 5.4829 5.6558 5.6558 5.8658 5.8658 6.1374 6.1374 6.3129 6.3129 7.0621 7.0621 7.1414 7.1414 7.6748 7.6748 7.7355 7.7355 7.7808 7.7808 7.8512 7.8512 8.2253 8.2253 8.3968 8.3968 10.3957 10.3957 10.7109 10.7109 10.8606 10.8606 11.0345 11.0345 k = 0.4889-0.0000-0.0000 ( 3044 PWs) bands (ev): -2.6560 -2.6560 -2.5241 -2.5241 0.4921 0.4921 0.5350 0.5350 4.1838 4.1838 4.3071 4.3071 5.4042 5.4042 5.4553 5.4553 5.7157 5.7157 5.8219 5.8219 6.1770 6.1770 6.2649 6.2649 7.0829 7.0829 7.1228 7.1228 7.6955 7.6955 7.7406 7.7406 7.7739 7.7739 7.8244 7.8244 8.2625 8.2625 8.3484 8.3484 10.4796 10.4796 10.6388 10.6388 10.9018 10.9018 10.9887 10.9887 k = 0.5000-0.0000-0.0000 ( 3030 PWs) bands (ev): -2.5895 -2.5895 -2.5894 -2.5894 0.5144 0.5144 0.5144 0.5144 4.2428 4.2428 4.2429 4.2429 5.4286 5.4286 5.4288 5.4288 5.7717 5.7717 5.7717 5.7717 6.2194 6.2194 6.2197 6.2197 7.1030 7.1030 7.1035 7.1035 7.7181 7.7181 7.7186 7.7186 7.7975 7.7975 7.7980 7.7980 8.3035 8.3035 8.3037 8.3037 10.5610 10.5610 10.5613 10.5613 10.9444 10.9444 10.9446 10.9446 k = 0.5000-0.0000-0.0000 ( 3030 PWs) bands (ev): -2.5895 -2.5895 -2.5894 -2.5894 0.5144 0.5144 0.5144 0.5144 4.2428 4.2428 4.2429 4.2429 5.4286 5.4286 5.4288 5.4288 5.7717 5.7717 5.7717 5.7717 6.2194 6.2194 6.2197 6.2197 7.1030 7.1030 7.1035 7.1035 7.7181 7.7181 7.7186 7.7186 7.7975 7.7975 7.7980 7.7980 8.3035 8.3035 8.3037 8.3037 10.5610 10.5610 10.5613 10.5613 10.9444 10.9444 10.9446 10.9446 k = 0.5000 0.0110-0.0000 ( 3048 PWs) bands (ev): -2.5887 -2.5887 -2.5886 -2.5886 0.5128 0.5128 0.5133 0.5133 4.2429 4.2429 4.2448 4.2448 5.4171 5.4171 5.4213 5.4213 5.7784 5.7784 5.7800 5.7800 6.2188 6.2188 6.2197 6.2197 7.1043 7.1043 7.1057 7.1057 7.7175 7.7175 7.7187 7.7187 7.7968 7.7968 7.7988 7.7988 8.3014 8.3014 8.3041 8.3041 10.5541 10.5541 10.5594 10.5594 10.9380 10.9380 10.9419 10.9419 k = 0.5000 0.0219-0.0000 ( 3040 PWs) bands (ev): -2.5863 -2.5863 -2.5862 -2.5862 0.5087 0.5087 0.5095 0.5095 4.2448 4.2448 4.2487 4.2487 5.3895 5.3895 5.3971 5.3971 5.7981 5.7981 5.8006 5.8006 6.2180 6.2180 6.2196 6.2196 7.1088 7.1088 7.1115 7.1115 7.7165 7.7165 7.7188 7.7188 7.7964 7.7964 7.8003 7.8003 8.2976 8.2976 8.3030 8.3030 10.5387 10.5387 10.5492 10.5492 10.9233 10.9233 10.9308 10.9308 k = 0.5000 0.0329-0.0000 ( 3038 PWs) bands (ev): -2.5822 -2.5822 -2.5821 -2.5821 0.5018 0.5018 0.5030 0.5030 4.2487 4.2487 4.2545 4.2545 5.3511 5.3511 5.3614 5.3614 5.8252 5.8252 5.8281 5.8281 6.2171 6.2171 6.2191 6.2191 7.1166 7.1166 7.1205 7.1205 7.7152 7.7152 7.7185 7.7185 7.7961 7.7961 7.8020 7.8020 8.2920 8.2920 8.3001 8.3001 10.5153 10.5153 10.5307 10.5307 10.9022 10.9022 10.9127 10.9127 k = 0.5000 0.0438-0.0000 ( 3032 PWs) bands (ev): -2.5766 -2.5766 -2.5764 -2.5764 0.4923 0.4923 0.4939 0.4939 4.2544 4.2544 4.2621 4.2621 5.3067 5.3067 5.3189 5.3189 5.8548 5.8548 5.8578 5.8578 6.2163 6.2163 6.2186 6.2186 7.1275 7.1275 7.1326 7.1326 7.7135 7.7135 7.7180 7.7180 7.7961 7.7961 7.8039 7.8039 8.2846 8.2846 8.2952 8.2952 10.4850 10.4850 10.5049 10.5049 10.8772 10.8772 10.8902 10.8902 k = 0.5000 0.0548-0.0000 ( 3024 PWs) bands (ev): -2.5694 -2.5694 -2.5692 -2.5692 0.4802 0.4802 0.4822 0.4822 4.2619 4.2619 4.2716 4.2716 5.2593 5.2593 5.2731 5.2731 5.8834 5.8834 5.8866 5.8866 6.2161 6.2161 6.2182 6.2182 7.1412 7.1412 7.1472 7.1472 7.7112 7.7112 7.7171 7.7171 7.7963 7.7963 7.8059 7.8059 8.2751 8.2751 8.2884 8.2884 10.4489 10.4489 10.4727 10.4727 10.8511 10.8511 10.8660 10.8660 k = 0.5000 0.0657-0.0000 ( 3028 PWs) bands (ev): -2.5606 -2.5606 -2.5604 -2.5604 0.4656 0.4656 0.4680 0.4680 4.2712 4.2712 4.2828 4.2828 5.2110 5.2110 5.2262 5.2262 5.9085 5.9085 5.9123 5.9123 6.2167 6.2167 6.2181 6.2181 7.1572 7.1572 7.1639 7.1639 7.7084 7.7084 7.7157 7.7157 7.7964 7.7964 7.8077 7.8077 8.2635 8.2635 8.2792 8.2792 10.4081 10.4081 10.4353 10.4353 10.8265 10.8265 10.8429 10.8429 k = 0.5000 0.0767-0.0000 ( 3032 PWs) bands (ev): -2.5503 -2.5503 -2.5500 -2.5500 0.4484 0.4484 0.4512 0.4512 4.2821 4.2821 4.2956 4.2956 5.1634 5.1634 5.1797 5.1797 5.9285 5.9285 5.9333 5.9333 6.2186 6.2186 6.2188 6.2188 7.1750 7.1750 7.1822 7.1822 7.7050 7.7050 7.7138 7.7138 7.7965 7.7965 7.8093 7.8093 8.2495 8.2495 8.2674 8.2674 10.3639 10.3639 10.3939 10.3939 10.8059 10.8059 10.8234 10.8234 k = 0.5000 0.0876-0.0000 ( 3024 PWs) bands (ev): -2.5385 -2.5385 -2.5382 -2.5382 0.4288 0.4288 0.4319 0.4319 4.2947 4.2947 4.3100 4.3100 5.1176 5.1176 5.1348 5.1348 5.9425 5.9425 5.9490 5.9490 6.2206 6.2206 6.2223 6.2223 7.1941 7.1941 7.2015 7.2015 7.7006 7.7006 7.7113 7.7113 7.7965 7.7965 7.8105 7.8105 8.2328 8.2328 8.2527 8.2527 10.3175 10.3175 10.3497 10.3497 10.7915 10.7915 10.8099 10.8099 k = 0.5000 0.0986-0.0000 ( 3024 PWs) bands (ev): -2.5253 -2.5253 -2.5249 -2.5249 0.4068 0.4068 0.4103 0.4103 4.3086 4.3086 4.3257 4.3257 5.0742 5.0742 5.0921 5.0921 5.9499 5.9499 5.9587 5.9587 6.2236 6.2236 6.2276 6.2276 7.2140 7.2140 7.2211 7.2211 7.6953 7.6953 7.7081 7.7081 7.7961 7.7961 7.8109 7.8109 8.2132 8.2132 8.2349 8.2349 10.2702 10.2702 10.3038 10.3038 10.7854 10.7854 10.8043 10.8043 k = 0.5000 0.1096-0.0000 ( 3026 PWs) bands (ev): -2.5107 -2.5107 -2.5102 -2.5102 0.3825 0.3825 0.3864 0.3864 4.3238 4.3238 4.3425 4.3425 5.0342 5.0342 5.0525 5.0525 5.9511 5.9511 5.9623 5.9623 6.2279 6.2279 6.2345 6.2345 7.2339 7.2339 7.2405 7.2405 7.6886 7.6886 7.7039 7.7039 7.7953 7.7953 7.8104 7.8104 8.1905 8.1905 8.2136 8.2136 10.2227 10.2227 10.2574 10.2574 10.7892 10.7892 10.8083 10.8083 k = 0.5000 0.1205-0.0000 ( 3030 PWs) bands (ev): -2.4947 -2.4947 -2.4942 -2.4942 0.3561 0.3561 0.3603 0.3603 4.3400 4.3400 4.3603 4.3603 4.9979 4.9979 5.0165 5.0165 5.9464 5.9464 5.9603 5.9603 6.2334 6.2334 6.2426 6.2426 7.2535 7.2535 7.2591 7.2591 7.6803 7.6803 7.6986 7.6986 7.7939 7.7939 7.8087 7.8087 8.1646 8.1646 8.1888 8.1888 10.1761 10.1761 10.2112 10.2112 10.8043 10.8043 10.8234 10.8234 k = 0.5000 0.1315-0.0000 ( 3042 PWs) bands (ev): -2.4775 -2.4775 -2.4769 -2.4769 0.3277 0.3277 0.3321 0.3321 4.3571 4.3571 4.3787 4.3787 4.9660 4.9660 4.9845 4.9845 5.9365 5.9365 5.9532 5.9532 6.2395 6.2395 6.2514 6.2514 7.2724 7.2724 7.2766 7.2766 7.6701 7.6701 7.6917 7.6917 7.7917 7.7917 7.8055 7.8055 8.1357 8.1357 8.1606 8.1606 10.1307 10.1307 10.1661 10.1661 10.8317 10.8317 10.8505 10.8505 k = 0.5000 0.1424-0.0000 ( 3046 PWs) bands (ev): -2.4591 -2.4591 -2.4585 -2.4585 0.2974 0.2974 0.3021 0.3021 4.3749 4.3749 4.3975 4.3975 4.9389 4.9389 4.9568 4.9568 5.9224 5.9224 5.9416 5.9416 6.2462 6.2462 6.2604 6.2604 7.2901 7.2901 7.2925 7.2925 7.6572 7.6572 7.6828 7.6828 7.7890 7.7890 7.8008 7.8008 8.1043 8.1043 8.1294 8.1294 10.0873 10.0873 10.1225 10.1225 10.8721 10.8721 10.8904 10.8904 k = 0.5000 0.1534-0.0000 ( 3046 PWs) bands (ev): -2.4395 -2.4395 -2.4389 -2.4389 0.2654 0.2654 0.2704 0.2704 4.3931 4.3931 4.4163 4.4163 4.9169 4.9169 4.9339 4.9339 5.9047 5.9047 5.9264 5.9264 6.2530 6.2530 6.2693 6.2693 7.3066 7.3066 7.3068 7.3068 7.6412 7.6412 7.6711 7.6711 7.7856 7.7856 7.7944 7.7944 8.0713 8.0713 8.0961 8.0961 10.0460 10.0460 10.0809 10.0809 10.9259 10.9259 10.9434 10.9434 k = 0.5000 0.1643-0.0000 ( 3042 PWs) bands (ev): -2.4190 -2.4190 -2.4183 -2.4183 0.2319 0.2319 0.2372 0.2372 4.4114 4.4114 4.4347 4.4347 4.9004 4.9004 4.9157 4.9157 5.8840 5.8840 5.9080 5.9080 6.2598 6.2598 6.2781 6.2781 7.3189 7.3189 7.3218 7.3218 7.6212 7.6212 7.6556 7.6556 7.7815 7.7815 7.7863 7.7863 8.0378 8.0378 8.0619 8.0619 10.0071 10.0071 10.0415 10.0415 10.9930 10.9930 11.0095 11.0095 k = 0.5000 0.1753-0.0000 ( 3030 PWs) bands (ev): -2.3976 -2.3976 -2.3968 -2.3968 0.1971 0.1971 0.2027 0.2027 4.4297 4.4297 4.4525 4.4525 4.8895 4.8895 4.9026 4.9026 5.8610 5.8610 5.8873 5.8873 6.2664 6.2664 6.2865 6.2865 7.3289 7.3289 7.3353 7.3353 7.5964 7.5964 7.6350 7.6350 7.7765 7.7765 7.7770 7.7770 8.0055 8.0055 8.0280 8.0280 9.9708 9.9708 10.0046 10.0046 11.0730 11.0730 11.0885 11.0885 k = 0.5000 0.1862-0.0000 ( 3026 PWs) bands (ev): -2.3754 -2.3754 -2.3746 -2.3746 0.1613 0.1613 0.1671 0.1671 4.4477 4.4477 4.4694 4.4694 4.8842 4.8842 4.8944 4.8944 5.8361 5.8361 5.8646 5.8646 6.2728 6.2728 6.2946 6.2946 7.3364 7.3364 7.3473 7.3473 7.5661 7.5661 7.6077 7.6077 7.7661 7.7661 7.7715 7.7715 7.9760 7.9760 7.9961 7.9961 9.9370 9.9370 9.9701 9.9701 11.1654 11.1654 11.1798 11.1798 k = 0.5000 0.1972-0.0000 ( 3020 PWs) bands (ev): -2.3527 -2.3527 -2.3517 -2.3517 0.1247 0.1247 0.1307 0.1307 4.4654 4.4654 4.4852 4.4852 4.8843 4.8843 4.8908 4.8908 5.8097 5.8097 5.8406 5.8406 6.2790 6.2790 6.3025 6.3025 7.3408 7.3408 7.3576 7.3576 7.5305 7.5305 7.5729 7.5729 7.7552 7.7552 7.7657 7.7657 7.9505 7.9505 7.9674 7.9674 9.9058 9.9058 9.9383 9.9383 11.2694 11.2694 11.2826 11.2826 k = 0.5000 0.2082-0.0000 ( 3020 PWs) bands (ev): -2.3294 -2.3294 -2.3284 -2.3284 0.0876 0.0876 0.0938 0.0938 4.4828 4.4828 4.5002 4.5002 4.8893 4.8893 4.8915 4.8915 5.7825 5.7825 5.8158 5.8158 6.2851 6.2851 6.3103 6.3103 7.3403 7.3403 7.3658 7.3658 7.4910 7.4910 7.5306 7.5306 7.7445 7.7445 7.7597 7.7597 7.9294 7.9294 7.9427 7.9427 9.8772 9.8772 9.9089 9.9089 11.3840 11.3840 11.3962 11.3962 k = 0.5000 0.2191-0.0000 ( 3020 PWs) bands (ev): -2.3058 -2.3058 -2.3048 -2.3048 0.0503 0.0503 0.0568 0.0568 4.5000 4.5000 4.5145 4.5145 4.8958 4.8958 4.8984 4.8984 5.7550 5.7550 5.7910 5.7910 6.2911 6.2911 6.3181 6.3181 7.3308 7.3308 7.3707 7.3707 7.4524 7.4524 7.4828 7.4828 7.7345 7.7345 7.7537 7.7537 7.9124 7.9124 7.9222 7.9222 9.8510 9.8510 9.8821 9.8821 11.5084 11.5084 11.5197 11.5197 k = 0.5000 0.2301-0.0000 ( 3020 PWs) bands (ev): -2.2822 -2.2822 -2.2810 -2.2810 0.0132 0.0132 0.0198 0.0198 4.5171 4.5171 4.5284 4.5284 4.9030 4.9030 4.9106 4.9106 5.7277 5.7277 5.7667 5.7667 6.2973 6.2973 6.3260 6.3260 7.3049 7.3049 7.3668 7.3668 7.4235 7.4235 7.4368 7.4368 7.7252 7.7252 7.7477 7.7477 7.8990 7.8990 7.9056 7.9056 9.8272 9.8272 9.8576 9.8576 11.6415 11.6415 11.6520 11.6520 k = 0.5000 0.2410-0.0000 ( 3024 PWs) bands (ev): -2.2586 -2.2586 -2.2574 -2.2574 -0.0235 -0.0235 -0.0167 -0.0167 4.5345 4.5345 4.5423 4.5423 4.9120 4.9120 4.9247 4.9247 5.7014 5.7014 5.7437 5.7437 6.3037 6.3037 6.3343 6.3343 7.2596 7.2596 7.3354 7.3354 7.4083 7.4083 7.4128 7.4128 7.7167 7.7167 7.7420 7.7420 7.8883 7.8883 7.8924 7.8924 9.8056 9.8056 9.8355 9.8355 11.7824 11.7824 11.7922 11.7922 k = 0.5000 0.2520-0.0000 ( 3024 PWs) bands (ev): -2.2355 -2.2355 -2.2341 -2.2341 -0.0593 -0.0593 -0.0523 -0.0523 4.5523 4.5523 4.5565 4.5565 4.9217 4.9217 4.9394 4.9394 5.6766 5.6766 5.7228 5.7228 6.3106 6.3106 6.3431 6.3431 7.2016 7.2016 7.2793 7.2793 7.4017 7.4017 7.4095 7.4095 7.7089 7.7089 7.7367 7.7367 7.8798 7.8798 7.8819 7.8819 9.7863 9.7863 9.8156 9.8156 11.9299 11.9299 11.9393 11.9393 k = 0.5000 0.2629-0.0000 ( 3028 PWs) bands (ev): -2.2129 -2.2129 -2.2114 -2.2114 -0.0939 -0.0939 -0.0868 -0.0868 4.5707 4.5707 4.5713 4.5713 4.9310 4.9310 4.9534 4.9534 5.6541 5.6541 5.7047 5.7047 6.3181 6.3181 6.3526 6.3526 7.1371 7.1371 7.2155 7.2155 7.3986 7.3986 7.4112 7.4112 7.7019 7.7019 7.7318 7.7318 7.8730 7.8730 7.8736 7.8736 9.7690 9.7690 9.7978 9.7978 12.0831 12.0831 12.0923 12.0923 k = 0.5000 0.2739-0.0000 ( 3030 PWs) bands (ev): -2.1911 -2.1911 -2.1896 -2.1896 -0.1269 -0.1269 -0.1196 -0.1196 4.5869 4.5869 4.5900 4.5900 4.9387 4.9387 4.9656 4.9656 5.6345 5.6345 5.6902 5.6902 6.3265 6.3265 6.3631 6.3631 7.0697 7.0697 7.1496 7.1496 7.3969 7.3969 7.4139 7.4139 7.6956 7.6956 7.7274 7.7274 7.8669 7.8669 7.8675 7.8675 9.7537 9.7537 9.7821 9.7821 12.2410 12.2410 12.2502 12.2502 k = 0.5000 0.2849-0.0000 ( 3034 PWs) bands (ev): -2.1706 -2.1706 -2.1689 -2.1689 -0.1579 -0.1579 -0.1505 -0.1505 4.6031 4.6031 4.6100 4.6100 4.9437 4.9437 4.9749 4.9749 5.6183 5.6183 5.6798 5.6798 6.3361 6.3361 6.3748 6.3748 7.0013 7.0013 7.0835 7.0835 7.3958 7.3958 7.4166 7.4166 7.6899 7.6899 7.7236 7.7236 7.8617 7.8617 7.8631 7.8631 9.7402 9.7402 9.7682 9.7682 12.4023 12.4023 12.4120 12.4120 k = 0.5000 0.2958-0.0000 ( 3048 PWs) bands (ev): -2.1514 -2.1514 -2.1497 -2.1497 -0.1865 -0.1865 -0.1790 -0.1790 4.6201 4.6201 4.6310 4.6310 4.9454 4.9454 4.9806 4.9806 5.6060 5.6060 5.6738 5.6738 6.3472 6.3472 6.3879 6.3879 6.9332 6.9332 7.0185 7.0185 7.3948 7.3948 7.4189 7.4189 7.6848 7.6848 7.7202 7.7202 7.8575 7.8575 7.8594 7.8594 9.7286 9.7286 9.7562 9.7562 12.5659 12.5659 12.5765 12.5765 k = 0.5000 0.3068-0.0000 ( 3056 PWs) bands (ev): -2.1341 -2.1341 -2.1323 -2.1323 -0.2123 -0.2123 -0.2046 -0.2046 4.6373 4.6373 4.6526 4.6526 4.9432 4.9432 4.9825 4.9825 5.5975 5.5975 5.6718 5.6718 6.3603 6.3603 6.4026 6.4026 6.8667 6.8667 6.9558 6.9558 7.3941 7.3941 7.4209 7.4209 7.6804 7.6804 7.7173 7.7173 7.8541 7.8541 7.8565 7.8565 9.7187 9.7187 9.7460 9.7460 12.7303 12.7303 12.7424 12.7424 k = 0.5000 0.3177-0.0000 ( 3056 PWs) bands (ev): -2.1187 -2.1187 -2.1169 -2.1169 -0.2349 -0.2349 -0.2271 -0.2271 4.6545 4.6545 4.6745 4.6745 4.9371 4.9371 4.9808 4.9808 5.5924 5.5924 5.6734 5.6734 6.3758 6.3758 6.4191 6.4191 6.8027 6.8027 6.8963 6.8963 7.3934 7.3934 7.4226 7.4226 7.6767 7.6767 7.7149 7.7149 7.8516 7.8516 7.8542 7.8542 9.7104 9.7104 9.7375 9.7375 12.8935 12.8935 12.9081 12.9081 k = 0.5000 0.3287-0.0000 ( 3064 PWs) bands (ev): -2.1058 -2.1058 -2.1038 -2.1038 -0.2539 -0.2539 -0.2461 -0.2461 4.6708 4.6708 4.6963 4.6963 4.9278 4.9278 4.9763 4.9763 5.5901 5.5901 5.6775 5.6775 6.3941 6.3941 6.4371 6.4371 6.7422 6.7422 6.8413 6.8413 7.3928 7.3928 7.4239 7.4239 7.6737 7.6737 7.7130 7.7130 7.8496 7.8496 7.8524 7.8524 9.7037 9.7037 9.7305 9.7305 13.0528 13.0528 13.0713 13.0713 k = 0.5000 0.3396-0.0000 ( 3072 PWs) bands (ev): -2.0954 -2.0954 -2.0934 -2.0934 -0.2691 -0.2691 -0.2612 -0.2612 4.6854 4.6854 4.7169 4.7169 4.9163 4.9163 4.9703 4.9703 5.5897 5.5897 5.6826 5.6826 6.4151 6.4151 6.4560 6.4560 6.6866 6.6866 6.7925 6.7925 7.3924 7.3924 7.4249 7.4249 7.6713 7.6713 7.7115 7.7115 7.8480 7.8480 7.8510 7.8510 9.6985 9.6985 9.7252 9.7252 13.2039 13.2039 13.2286 13.2286 k = 0.5000 0.3506-0.0000 ( 3068 PWs) bands (ev): -2.0878 -2.0878 -2.0857 -2.0857 -0.2802 -0.2802 -0.2722 -0.2722 4.6973 4.6973 4.7350 4.7350 4.9045 4.9045 4.9642 4.9642 5.5902 5.5902 5.6875 5.6875 6.4385 6.4385 6.4742 6.4742 6.6376 6.6376 6.7523 6.7523 7.3920 7.3920 7.4256 7.4256 7.6697 7.6697 7.7105 7.7105 7.8470 7.8470 7.8501 7.8501 9.6949 9.6949 9.7215 9.7215 13.3386 13.3386 13.3733 13.3733 k = 0.5000 0.3615-0.0000 ( 3072 PWs) bands (ev): -2.0831 -2.0831 -2.0811 -2.0811 -0.2869 -0.2869 -0.2789 -0.2789 4.7051 4.7051 4.7480 4.7480 4.8951 4.8951 4.9597 4.9597 5.5909 5.5909 5.6910 5.6910 6.4608 6.4608 6.4885 6.4885 6.5994 6.5994 6.7245 6.7245 7.3918 7.3918 7.4260 7.4260 7.6686 7.6686 7.7099 7.7099 7.8464 7.8464 7.8495 7.8495 9.6927 9.6927 9.7192 9.7192 13.4404 13.4404 13.4890 13.4890 k = 0.5000 0.3725-0.0000 ( 3068 PWs) bands (ev): -2.0816 -2.0816 -2.0795 -2.0795 -0.2891 -0.2891 -0.2811 -0.2811 4.7079 4.7079 4.7529 4.7529 4.8914 4.8914 4.9580 4.9580 5.5913 5.5913 5.6923 5.6923 6.4718 6.4718 6.4941 6.4941 6.5831 6.5831 6.7144 6.7144 7.3917 7.3917 7.4261 7.4261 7.6683 7.6683 7.7097 7.7097 7.8463 7.8463 7.8494 7.8494 9.6920 9.6920 9.7185 9.7185 13.4807 13.4807 13.5382 13.5382 k = 0.5000 0.3725-0.0000 ( 3068 PWs) bands (ev): -2.0816 -2.0816 -2.0795 -2.0795 -0.2891 -0.2891 -0.2811 -0.2811 4.7079 4.7079 4.7529 4.7529 4.8914 4.8914 4.9580 4.9580 5.5913 5.5913 5.6923 5.6923 6.4718 6.4718 6.4941 6.4941 6.5831 6.5831 6.7144 6.7144 7.3917 7.3917 7.4261 7.4261 7.6683 7.6683 7.7097 7.7097 7.8463 7.8463 7.8494 7.8494 9.6920 9.6920 9.7185 9.7185 13.4807 13.4807 13.5382 13.5382 k = 0.4889 0.3725-0.0000 ( 3068 PWs) bands (ev): -2.0835 -2.0835 -2.0815 -2.0815 -0.2890 -0.2890 -0.2810 -0.2810 4.7010 4.7010 4.7474 4.7474 4.9005 4.9005 4.9655 4.9655 5.5893 5.5893 5.6906 5.6906 6.4622 6.4622 6.4725 6.4725 6.6088 6.6088 6.7276 6.7276 7.3920 7.3920 7.4264 7.4264 7.6692 7.6692 7.7102 7.7102 7.8485 7.8485 7.8511 7.8511 9.6926 9.6926 9.7191 9.7191 13.4735 13.4735 13.5312 13.5312 k = 0.4778 0.3725-0.0000 ( 3072 PWs) bands (ev): -2.0893 -2.0893 -2.0873 -2.0873 -0.2886 -0.2886 -0.2806 -0.2806 4.6833 4.6833 4.7331 4.7331 4.9246 4.9246 4.9862 4.9862 5.5836 5.5836 5.6857 5.6857 6.4351 6.4351 6.4387 6.4387 6.6585 6.6585 6.7617 6.7617 7.3929 7.3929 7.4269 7.4269 7.6718 7.6718 7.7117 7.7117 7.8553 7.8553 7.8564 7.8564 9.6946 9.6946 9.7210 9.7210 13.4531 13.4531 13.5111 13.5111 k = 0.4667 0.3725-0.0000 ( 3060 PWs) bands (ev): -2.0989 -2.0989 -2.0969 -2.0969 -0.2881 -0.2881 -0.2801 -0.2801 4.6600 4.6600 4.7133 4.7133 4.9586 4.9586 5.0163 5.0163 5.5746 5.5746 5.6778 5.6778 6.3989 6.3989 6.4102 6.4102 6.7146 6.7146 6.8075 6.8075 7.3944 7.3944 7.4279 7.4279 7.6762 7.6762 7.7142 7.7142 7.8656 7.8656 7.8672 7.8672 9.6978 9.6978 9.7241 9.7241 13.4217 13.4217 13.4802 13.4802 k = 0.4556 0.3725-0.0000 ( 3052 PWs) bands (ev): -2.1121 -2.1121 -2.1101 -2.1101 -0.2875 -0.2875 -0.2795 -0.2795 4.6342 4.6342 4.6905 4.6905 4.9989 4.9989 5.0530 5.0530 5.5630 5.5630 5.6674 5.6674 6.3673 6.3673 6.3821 6.3821 6.7729 6.7729 6.8586 6.8586 7.3965 7.3965 7.4291 7.4291 7.6824 7.6824 7.7177 7.7177 7.8793 7.8793 7.8846 7.8846 9.7023 9.7023 9.7285 9.7285 13.3822 13.3822 13.4412 13.4412 k = 0.4444 0.3725-0.0000 ( 3048 PWs) bands (ev): -2.1287 -2.1287 -2.1268 -2.1268 -0.2869 -0.2869 -0.2790 -0.2790 4.6073 4.6073 4.6661 4.6661 5.0436 5.0436 5.0944 5.0944 5.5497 5.5497 5.6551 5.6551 6.3410 6.3410 6.3573 6.3573 6.8314 6.8314 6.9111 6.9111 7.3991 7.3991 7.4305 7.4305 7.6899 7.6899 7.7219 7.7219 7.8981 7.8981 7.9083 7.9083 9.7081 9.7081 9.7343 9.7343 13.3370 13.3370 13.3964 13.3964 k = 0.4333 0.3725-0.0000 ( 3050 PWs) bands (ev): -2.1486 -2.1486 -2.1467 -2.1467 -0.2866 -0.2866 -0.2786 -0.2786 4.5799 4.5799 4.6404 4.6404 5.0918 5.0918 5.1396 5.1396 5.5358 5.5358 5.6420 5.6420 6.3203 6.3203 6.3369 6.3369 6.8885 6.8885 6.9625 6.9625 7.4024 7.4024 7.4320 7.4320 7.6988 7.6988 7.7270 7.7270 7.9230 7.9230 7.9392 7.9392 9.7151 9.7151 9.7412 9.7412 13.2880 13.2880 13.3477 13.3477 k = 0.4222 0.3725-0.0000 ( 3046 PWs) bands (ev): -2.1715 -2.1715 -2.1697 -2.1697 -0.2865 -0.2865 -0.2786 -0.2786 4.5518 4.5518 4.6135 4.6135 5.1428 5.1428 5.1878 5.1878 5.5227 5.5227 5.6290 5.6290 6.3051 6.3051 6.3215 6.3215 6.9429 6.9429 7.0109 7.0109 7.4062 7.4062 7.4337 7.4337 7.7089 7.7089 7.7328 7.7328 7.9551 7.9551 7.9779 7.9779 9.7235 9.7235 9.7494 9.7494 13.2367 13.2367 13.2967 13.2967 k = 0.4111 0.3725-0.0000 ( 3042 PWs) bands (ev): -2.1972 -2.1972 -2.1954 -2.1954 -0.2869 -0.2869 -0.2790 -0.2790 4.5231 4.5231 4.5850 4.5850 5.1963 5.1963 5.2386 5.2386 5.5117 5.5117 5.6174 5.6174 6.2947 6.2947 6.3108 6.3108 6.9935 6.9935 7.0549 7.0549 7.4106 7.4106 7.4353 7.4353 7.7199 7.7199 7.7394 7.7394 7.9951 7.9951 8.0252 8.0252 9.7331 9.7331 9.7589 9.7589 13.1841 13.1841 13.2444 13.2444 k = 0.4000 0.3725-0.0000 ( 3046 PWs) bands (ev): -2.2252 -2.2252 -2.2235 -2.2235 -0.2879 -0.2879 -0.2801 -0.2801 4.4932 4.4932 4.5547 4.5547 5.2519 5.2519 5.2918 5.2918 5.5039 5.5039 5.6083 5.6083 6.2888 6.2888 6.3045 6.3045 7.0395 7.0395 7.0937 7.0937 7.4153 7.4153 7.4369 7.4369 7.7316 7.7316 7.7467 7.7467 8.0436 8.0436 8.0813 8.0813 9.7440 9.7440 9.7696 9.7696 13.1312 13.1312 13.1918 13.1918 k = 0.3889 0.3725-0.0000 ( 3052 PWs) bands (ev): -2.2555 -2.2555 -2.2538 -2.2538 -0.2897 -0.2897 -0.2820 -0.2820 4.4619 4.4619 4.5221 4.5221 5.3092 5.3092 5.3471 5.3471 5.5005 5.5005 5.6030 5.6030 6.2867 6.2867 6.3023 6.3023 7.0803 7.0803 7.1269 7.1269 7.4205 7.4205 7.4384 7.4384 7.7440 7.7440 7.7550 7.7550 8.1009 8.1009 8.1462 8.1462 9.7561 9.7561 9.7817 9.7817 13.0785 13.0785 13.1394 13.1394 k = 0.3778 0.3725-0.0000 ( 3044 PWs) bands (ev): -2.2875 -2.2875 -2.2859 -2.2859 -0.2924 -0.2924 -0.2847 -0.2847 4.4290 4.4290 4.4872 4.4872 5.3676 5.3676 5.4041 5.4041 5.5026 5.5026 5.6027 5.6027 6.2881 6.2881 6.3037 6.3037 7.1158 7.1158 7.1546 7.1546 7.4259 7.4259 7.4400 7.4400 7.7572 7.7572 7.7643 7.7643 8.1669 8.1669 8.2197 8.2197 9.7694 9.7694 9.7950 9.7950 13.0267 13.0267 13.0880 13.0880 k = 0.3667 0.3725-0.0000 ( 3040 PWs) bands (ev): -2.3212 -2.3212 -2.3197 -2.3197 -0.2960 -0.2960 -0.2884 -0.2884 4.3942 4.3942 4.4498 4.4498 5.4263 5.4263 5.4605 5.4605 5.5124 5.5124 5.6087 5.6087 6.2924 6.2924 6.3082 6.3082 7.1460 7.1460 7.1771 7.1771 7.4315 7.4315 7.4416 7.4416 7.7710 7.7710 7.7746 7.7746 8.2412 8.2412 8.3010 8.3010 9.7839 9.7839 9.8095 9.8095 12.9763 12.9763 13.0380 13.0380 k = 0.3556 0.3725-0.0000 ( 3044 PWs) bands (ev): -2.3562 -2.3562 -2.3547 -2.3547 -0.3006 -0.3006 -0.2931 -0.2931 4.3575 4.3575 4.4101 4.4101 5.4829 5.4829 5.5036 5.5036 5.5431 5.5431 5.6236 5.6236 6.2990 6.2990 6.3152 6.3152 7.1714 7.1714 7.1949 7.1949 7.4371 7.4371 7.4433 7.4433 7.7858 7.7858 7.7861 7.7861 8.3229 8.3229 8.3894 8.3894 9.7995 9.7995 9.8252 9.8252 12.9276 12.9276 12.9900 12.9900 k = 0.3444 0.3725-0.0000 ( 3030 PWs) bands (ev): -2.3922 -2.3922 -2.3908 -2.3908 -0.3062 -0.3062 -0.2988 -0.2988 4.3190 4.3190 4.3682 4.3682 5.5267 5.5267 5.5332 5.5332 5.6009 5.6009 5.6514 5.6514 6.3077 6.3077 6.3245 6.3245 7.1922 7.1922 7.2089 7.2089 7.4429 7.4429 7.4453 7.4453 7.7989 7.7989 7.8018 7.8018 8.4113 8.4113 8.4840 8.4840 9.8162 9.8162 9.8422 9.8422 12.8812 12.8812 12.9442 12.9442 k = 0.3333 0.3725-0.0000 ( 3030 PWs) bands (ev): -2.4290 -2.4290 -2.4276 -2.4276 -0.3129 -0.3129 -0.3057 -0.3057 4.2788 4.2788 4.3245 4.3245 5.5487 5.5487 5.5733 5.5733 5.6668 5.6668 5.6962 5.6962 6.3180 6.3180 6.3355 6.3355 7.2088 7.2088 7.2194 7.2194 7.4477 7.4477 7.4487 7.4487 7.8131 7.8131 7.8188 7.8188 8.5055 8.5055 8.5840 8.5840 9.8339 9.8339 9.8603 9.8603 12.8374 12.8374 12.9010 12.9010 k = 0.3222 0.3725-0.0000 ( 3026 PWs) bands (ev): -2.4663 -2.4663 -2.4650 -2.4650 -0.3207 -0.3207 -0.3136 -0.3136 4.2372 4.2372 4.2793 4.2793 5.5732 5.5732 5.6049 5.6049 5.7364 5.7364 5.7554 5.7554 6.3296 6.3296 6.3479 6.3479 7.2218 7.2218 7.2270 7.2270 7.4506 7.4506 7.4546 7.4546 7.8288 7.8288 7.8371 7.8371 8.6046 8.6046 8.6885 8.6885 9.8526 9.8526 9.8796 9.8796 12.7964 12.7964 12.8609 12.8609 k = 0.3111 0.3725-0.0000 ( 3026 PWs) bands (ev): -2.5040 -2.5040 -2.5028 -2.5028 -0.3294 -0.3294 -0.3225 -0.3225 4.1945 4.1945 4.2330 4.2330 5.6005 5.6005 5.6332 5.6332 5.8090 5.8090 5.8236 5.8236 6.3422 6.3422 6.3615 6.3615 7.2314 7.2314 7.2322 7.2322 7.4541 7.4541 7.4606 7.4606 7.8462 7.8462 7.8569 7.8569 8.7078 8.7078 8.7970 8.7970 9.8723 9.8723 9.9000 9.9000 12.7587 12.7587 12.8241 12.8241 k = 0.3000 0.3725-0.0000 ( 3026 PWs) bands (ev): -2.5418 -2.5418 -2.5406 -2.5406 -0.3391 -0.3391 -0.3324 -0.3324 4.1510 4.1510 4.1861 4.1861 5.6300 5.6300 5.6611 5.6611 5.8845 5.8845 5.8972 5.8972 6.3554 6.3554 6.3758 6.3758 7.2353 7.2353 7.2382 7.2382 7.4583 7.4583 7.4669 7.4669 7.8654 7.8654 7.8783 7.8783 8.8143 8.8143 8.9085 8.9085 9.8928 9.8928 9.9216 9.9216 12.7245 12.7245 12.7909 12.7909 k = 0.2889 0.3725-0.0000 ( 3026 PWs) bands (ev): -2.5795 -2.5795 -2.5784 -2.5784 -0.3497 -0.3497 -0.3431 -0.3431 4.1069 4.1069 4.1389 4.1389 5.6611 5.6611 5.6895 5.6895 5.9627 5.9627 5.9744 5.9744 6.3691 6.3691 6.3908 6.3908 7.2366 7.2366 7.2422 7.2422 7.4632 7.4632 7.4734 7.4734 7.8865 7.8865 7.9015 7.9015 8.9233 8.9233 9.0225 9.0225 9.9144 9.9144 9.9446 9.9446 12.6941 12.6941 12.7615 12.7615 k = 0.2778 0.3725-0.0000 ( 3038 PWs) bands (ev): -2.6170 -2.6170 -2.6159 -2.6159 -0.3611 -0.3611 -0.3547 -0.3547 4.0627 4.0627 4.0918 4.0918 5.6934 5.6934 5.7188 5.7188 6.0433 6.0433 6.0542 6.0542 6.3830 6.3830 6.4062 6.4062 7.2362 7.2362 7.2439 7.2439 7.4688 7.4688 7.4801 7.4801 7.9098 7.9098 7.9266 7.9266 9.0338 9.0338 9.1379 9.1379 9.9373 9.9373 9.9692 9.9692 12.6675 12.6675 12.7360 12.7360 k = 0.2667 0.3725-0.0000 ( 3038 PWs) bands (ev): -2.6540 -2.6540 -2.6530 -2.6530 -0.3732 -0.3732 -0.3670 -0.3670 4.0186 4.0186 4.0450 4.0450 5.7264 5.7264 5.7488 5.7488 6.1259 6.1259 6.1356 6.1356 6.3969 6.3969 6.4221 6.4221 7.2346 7.2346 7.2436 7.2436 7.4750 7.4750 7.4873 7.4873 7.9357 7.9357 7.9539 7.9539 9.1450 9.1450 9.2539 9.2539 9.9620 9.9620 9.9959 9.9959 12.6451 12.6451 12.7147 12.7147 k = 0.2556 0.3725-0.0000 ( 3042 PWs) bands (ev): -2.6905 -2.6905 -2.6895 -2.6895 -0.3858 -0.3858 -0.3799 -0.3799 3.9750 3.9750 3.9988 3.9988 5.7597 5.7597 5.7793 5.7793 6.2100 6.2100 6.2174 6.2174 6.4109 6.4109 6.4386 6.4386 7.2318 7.2318 7.2417 7.2417 7.4819 7.4819 7.4950 7.4950 7.9642 7.9642 7.9835 7.9835 9.2553 9.2553 9.3689 9.3689 9.9895 9.9895 10.0255 10.0255 12.6268 12.6268 12.6976 12.6976 k = 0.2444 0.3725-0.0000 ( 3034 PWs) bands (ev): -2.7262 -2.7262 -2.7254 -2.7254 -0.3990 -0.3990 -0.3932 -0.3932 3.9319 3.9319 3.9535 3.9535 5.7930 5.7930 5.8101 5.8101 6.2945 6.2945 6.2978 6.2978 6.4253 6.4253 6.4570 6.4570 7.2279 7.2279 7.2383 7.2383 7.4895 7.4895 7.5031 7.5031 7.9959 7.9959 8.0158 8.0158 9.3632 9.3632 9.4806 9.4806 10.0216 10.0216 10.0592 10.0592 12.6127 12.6127 12.6847 12.6847 k = 0.2333 0.3725-0.0000 ( 3032 PWs) bands (ev): -2.7611 -2.7611 -2.7603 -2.7603 -0.4125 -0.4125 -0.4069 -0.4069 3.8898 3.8898 3.9093 3.9093 5.8262 5.8262 5.8409 5.8409 6.3717 6.3717 6.3763 6.3763 6.4422 6.4422 6.4813 6.4813 7.2232 7.2232 7.2337 7.2337 7.4974 7.4974 7.5115 7.5115 8.0312 8.0312 8.0513 8.0513 9.4662 9.4662 9.5856 9.5856 10.0612 10.0612 10.0991 10.0991 12.6028 12.6028 12.6758 12.6758 k = 0.2222 0.3725-0.0000 ( 3028 PWs) bands (ev): -2.7951 -2.7951 -2.7943 -2.7943 -0.4262 -0.4262 -0.4209 -0.4209 3.8487 3.8487 3.8663 3.8663 5.8589 5.8589 5.8717 5.8717 6.4271 6.4271 6.4331 6.4331 6.4831 6.4831 6.5224 6.5224 7.2177 7.2177 7.2280 7.2280 7.5058 7.5058 7.5204 7.5204 8.0704 8.0704 8.0901 8.0901 9.5612 9.5612 9.6790 9.6790 10.1129 10.1129 10.1477 10.1477 12.5968 12.5968 12.6709 12.6709 k = 0.2111 0.3725-0.0000 ( 3028 PWs) bands (ev): -2.8279 -2.8279 -2.8272 -2.8272 -0.4401 -0.4401 -0.4350 -0.4350 3.8088 3.8088 3.8247 3.8247 5.8911 5.8911 5.9022 5.9022 6.4525 6.4525 6.4578 6.4578 6.5595 6.5595 6.5857 6.5857 7.2115 7.2115 7.2215 7.2215 7.5147 7.5147 7.5296 7.5296 8.1141 8.1141 8.1327 8.1327 9.6450 9.6450 9.7558 9.7558 10.1814 10.1814 10.2080 10.2080 12.5946 12.5946 12.6696 12.6696 k = 0.2000 0.3725-0.0000 ( 3020 PWs) bands (ev): -2.8596 -2.8596 -2.8589 -2.8589 -0.4539 -0.4539 -0.4491 -0.4491 3.7703 3.7703 3.7847 3.7847 5.9226 5.9226 5.9322 5.9322 6.4649 6.4649 6.4759 6.4759 6.6398 6.6398 6.6580 6.6580 7.2048 7.2048 7.2145 7.2145 7.5239 7.5239 7.5392 7.5392 8.1629 8.1629 8.1797 8.1797 9.7151 9.7151 9.8137 9.8137 10.2687 10.2687 10.2823 10.2823 12.5958 12.5958 12.6716 12.6716 k = 0.1889 0.3725-0.0000 ( 3020 PWs) bands (ev): -2.8900 -2.8900 -2.8894 -2.8894 -0.4677 -0.4677 -0.4631 -0.4631 3.7334 3.7334 3.7463 3.7463 5.9533 5.9533 5.9616 5.9616 6.4754 6.4754 6.4891 6.4891 6.7179 6.7179 6.7305 6.7305 7.1977 7.1977 7.2069 7.2069 7.5336 7.5336 7.5490 7.5490 8.2170 8.2170 8.2314 8.2314 9.7706 9.7706 9.8546 9.8546 10.3709 10.3709 10.3724 10.3724 12.6000 12.6000 12.6763 12.6763 k = 0.1778 0.3725-0.0000 ( 3030 PWs) bands (ev): -2.9191 -2.9191 -2.9185 -2.9185 -0.4813 -0.4813 -0.4769 -0.4769 3.6981 3.6981 3.7098 3.7098 5.9832 5.9832 5.9904 5.9904 6.4848 6.4848 6.4998 6.4998 6.7918 6.7918 6.7999 6.7999 7.1904 7.1904 7.1991 7.1991 7.5434 7.5434 7.5589 7.5589 8.2769 8.2769 8.2882 8.2882 9.8130 9.8130 9.8830 9.8830 10.4723 10.4723 10.4879 10.4879 12.6067 12.6067 12.6833 12.6833 k = 0.1667 0.3725-0.0000 ( 3030 PWs) bands (ev): -2.9468 -2.9468 -2.9462 -2.9462 -0.4945 -0.4945 -0.4904 -0.4904 3.6645 3.6645 3.6750 3.6750 6.0121 6.0121 6.0184 6.0184 6.4933 6.4933 6.5089 6.5089 6.8605 6.8605 6.8646 6.8646 7.1832 7.1832 7.1913 7.1913 7.5535 7.5535 7.5689 7.5689 8.3427 8.3427 8.3506 8.3506 9.8448 9.8448 9.9028 9.9028 10.5836 10.5836 10.6111 10.6111 12.6154 12.6154 12.6917 12.6917 k = 0.1556 0.3725-0.0000 ( 3030 PWs) bands (ev): -2.9729 -2.9729 -2.9724 -2.9724 -0.5074 -0.5074 -0.5035 -0.5035 3.6328 3.6328 3.6422 3.6422 6.0400 6.0400 6.0455 6.0455 6.5009 6.5009 6.5167 6.5167 6.9230 6.9230 6.9235 6.9235 7.1763 7.1763 7.1838 7.1838 7.5638 7.5638 7.5789 7.5789 8.4145 8.4145 8.4184 8.4184 9.8686 9.8686 9.9166 9.9166 10.7020 10.7020 10.7389 10.7389 12.6252 12.6252 12.7008 12.7008 k = 0.1444 0.3725-0.0000 ( 3030 PWs) bands (ev): -2.9975 -2.9975 -2.9971 -2.9971 -0.5197 -0.5197 -0.5161 -0.5161 3.6030 3.6030 3.6114 3.6114 6.0669 6.0669 6.0716 6.0716 6.5078 6.5078 6.5234 6.5234 6.9757 6.9757 6.9784 6.9784 7.1702 7.1702 7.1773 7.1773 7.5741 7.5741 7.5886 7.5886 8.4915 8.4915 8.4916 8.4916 9.8866 9.8866 9.9264 9.9264 10.8252 10.8252 10.8692 10.8692 12.6357 12.6357 12.7098 12.7098 k = 0.1333 0.3725-0.0000 ( 3022 PWs) bands (ev): -3.0205 -3.0205 -3.0201 -3.0201 -0.5314 -0.5314 -0.5282 -0.5282 3.5752 3.5752 3.5827 3.5827 6.0925 6.0925 6.0966 6.0966 6.5140 6.5140 6.5291 6.5291 7.0202 7.0202 7.0254 7.0254 7.1660 7.1660 7.1726 7.1726 7.5843 7.5843 7.5980 7.5980 8.5694 8.5694 8.5735 8.5735 9.9004 9.9004 9.9335 9.9335 10.9510 10.9510 11.0006 11.0006 12.6459 12.6459 12.7176 12.7176 k = 0.1222 0.3725-0.0000 ( 3022 PWs) bands (ev): -3.0418 -3.0418 -3.0415 -3.0415 -0.5425 -0.5425 -0.5395 -0.5395 3.5494 3.5494 3.5561 3.5561 6.1168 6.1168 6.1204 6.1204 6.5195 6.5195 6.5340 6.5340 7.0553 7.0553 7.0621 7.0621 7.1654 7.1654 7.1719 7.1719 7.5942 7.5942 7.6069 7.6069 8.6510 8.6510 8.6589 8.6589 9.9114 9.9114 9.9386 9.9386 11.0781 11.0781 11.1316 11.1316 12.6553 12.6553 12.7233 12.7233 k = 0.1111 0.3725-0.0000 ( 3018 PWs) bands (ev): -3.0615 -3.0615 -3.0611 -3.0611 -0.5529 -0.5529 -0.5501 -0.5501 3.5258 3.5258 3.5317 3.5317 6.1397 6.1397 6.1428 6.1428 6.5244 6.5244 6.5381 6.5381 7.0787 7.0787 7.0858 7.0858 7.1712 7.1712 7.1783 7.1783 7.6038 7.6038 7.6154 7.6154 8.7352 8.7352 8.7465 8.7465 9.9204 9.9204 9.9426 9.9426 11.2051 11.2051 11.2611 11.2611 12.6630 12.6630 12.7258 12.7258 k = 0.1000 0.3725-0.0000 ( 3016 PWs) bands (ev): -3.0793 -3.0793 -3.0790 -3.0790 -0.5624 -0.5624 -0.5599 -0.5599 3.5043 3.5043 3.5094 3.5094 6.1611 6.1611 6.1638 6.1638 6.5287 6.5287 6.5414 6.5414 7.0897 7.0897 7.0960 7.0960 7.1847 7.1847 7.1928 7.1928 7.6128 7.6128 7.6231 7.6231 8.8205 8.8205 8.8346 8.8346 9.9282 9.9282 9.9460 9.9460 11.3308 11.3308 11.3881 11.3881 12.6683 12.6683 12.7240 12.7240 k = 0.0889 0.3725-0.0000 ( 3020 PWs) bands (ev): -3.0954 -3.0954 -3.0951 -3.0951 -0.5711 -0.5711 -0.5689 -0.5689 3.4849 3.4849 3.4894 3.4894 6.1808 6.1808 6.1831 6.1831 6.5325 6.5325 6.5441 6.5441 7.0919 7.0919 7.0973 7.0973 7.2025 7.2025 7.2112 7.2112 7.6211 7.6211 7.6301 7.6301 8.9050 8.9050 8.9212 8.9212 9.9355 9.9355 9.9494 9.9494 11.4541 11.4541 11.5113 11.5113 12.6706 12.6706 12.7168 12.7168 k = 0.0778 0.3725-0.0000 ( 3012 PWs) bands (ev): -3.1097 -3.1097 -3.1094 -3.1094 -0.5789 -0.5789 -0.5769 -0.5769 3.4678 3.4678 3.4717 3.4717 6.1987 6.1987 6.2007 6.2007 6.5359 6.5359 6.5462 6.5462 7.0900 7.0900 7.0945 7.0945 7.2208 7.2208 7.2295 7.2295 7.6287 7.6287 7.6363 7.6363 8.9867 8.9867 9.0043 9.0043 9.9426 9.9426 9.9531 9.9531 11.5738 11.5738 11.6295 11.6295 12.6691 12.6691 12.7034 12.7034 k = 0.0667 0.3725-0.0000 ( 3014 PWs) bands (ev): -3.1221 -3.1221 -3.1219 -3.1219 -0.5857 -0.5857 -0.5840 -0.5840 3.4530 3.4530 3.4562 3.4562 6.2146 6.2146 6.2162 6.2162 6.5388 6.5388 6.5478 6.5478 7.0865 7.0865 7.0902 7.0902 7.2375 7.2375 7.2457 7.2457 7.6353 7.6353 7.6417 7.6417 9.0634 9.0634 9.0814 9.0814 9.9499 9.9499 9.9575 9.9575 11.6887 11.6887 11.7412 11.7412 12.6631 12.6631 12.6832 12.6832 k = 0.0556 0.3725-0.0000 ( 3016 PWs) bands (ev): -3.1326 -3.1326 -3.1324 -3.1324 -0.5915 -0.5915 -0.5901 -0.5901 3.4404 3.4404 3.4431 3.4431 6.2284 6.2284 6.2297 6.2297 6.5412 6.5412 6.5489 6.5489 7.0825 7.0825 7.0856 7.0856 7.2519 7.2519 7.2593 7.2593 7.6411 7.6411 7.6462 7.6462 9.1331 9.1331 9.1504 9.1504 9.9574 9.9574 9.9626 9.9626 11.7974 11.7974 11.8447 11.8447 12.6516 12.6516 12.6565 12.6565 k = 0.0444 0.3725-0.0000 ( 3016 PWs) bands (ev): -3.1412 -3.1412 -3.1411 -3.1411 -0.5963 -0.5963 -0.5952 -0.5952 3.4302 3.4302 3.4323 3.4323 6.2399 6.2399 6.2410 6.2410 6.5433 6.5433 6.5496 6.5496 7.0788 7.0788 7.0813 7.0813 7.2638 7.2638 7.2700 7.2700 7.6458 7.6458 7.6498 7.6498 9.1935 9.1935 9.2092 9.2092 9.9650 9.9650 9.9683 9.9683 11.8979 11.8979 11.9381 11.9381 12.6248 12.6248 12.6337 12.6337 k = 0.0333 0.3725-0.0000 ( 3018 PWs) bands (ev): -3.1480 -3.1480 -3.1479 -3.1479 -0.6000 -0.6000 -0.5992 -0.5992 3.4222 3.4222 3.4238 3.4238 6.2490 6.2490 6.2499 6.2499 6.5451 6.5451 6.5499 6.5499 7.0757 7.0757 7.0776 7.0776 7.2732 7.2732 7.2780 7.2780 7.6497 7.6497 7.6526 7.6526 9.2430 9.2430 9.2559 9.2559 9.9721 9.9721 9.9741 9.9741 11.9877 11.9877 12.0187 12.0187 12.5910 12.5910 12.6089 12.6089 k = 0.0222 0.3725-0.0000 ( 3022 PWs) bands (ev): -3.1528 -3.1528 -3.1527 -3.1527 -0.6026 -0.6026 -0.6021 -0.6021 3.4166 3.4166 3.4176 3.4176 6.2556 6.2556 6.2563 6.2563 6.5466 6.5466 6.5498 6.5498 7.0734 7.0734 7.0747 7.0747 7.2800 7.2800 7.2833 7.2833 7.6525 7.6525 7.6544 7.6544 9.2800 9.2800 9.2892 9.2892 9.9782 9.9782 9.9792 9.9792 12.0624 12.0624 12.0829 12.0829 12.5600 12.5600 12.5793 12.5793 k = 0.0111 0.3725-0.0000 ( 3030 PWs) bands (ev): -3.1557 -3.1557 -3.1556 -3.1556 -0.6041 -0.6041 -0.6039 -0.6039 3.4133 3.4133 3.4138 3.4138 6.2596 6.2596 6.2601 6.2601 6.5478 6.5478 6.5494 6.5494 7.0720 7.0720 7.0728 7.0728 7.2844 7.2844 7.2861 7.2861 7.6543 7.6543 7.6554 7.6554 9.3037 9.3037 9.3085 9.3085 9.9823 9.9823 9.9827 9.9827 12.1151 12.1151 12.1250 12.1250 12.5390 12.5390 12.5515 12.5515 k = 0.0000 0.3725-0.0000 ( 3030 PWs) bands (ev): -3.1566 -3.1566 -3.1566 -3.1566 -0.6046 -0.6046 -0.6045 -0.6045 3.4124 3.4124 3.4124 3.4124 6.2610 6.2610 6.2614 6.2614 6.5485 6.5485 6.5489 6.5489 7.0716 7.0716 7.0721 7.0721 7.2862 7.2862 7.2867 7.2867 7.6550 7.6550 7.6556 7.6556 9.3133 9.3133 9.3133 9.3133 9.9838 9.9838 9.9839 9.9839 12.1372 12.1372 12.1373 12.1373 12.5354 12.5354 12.5355 12.5355 k = 0.0000 0.3725-0.0000 ( 3030 PWs) bands (ev): -3.1566 -3.1566 -3.1566 -3.1566 -0.6046 -0.6046 -0.6045 -0.6045 3.4124 3.4124 3.4124 3.4124 6.2610 6.2610 6.2614 6.2614 6.5485 6.5485 6.5489 6.5489 7.0716 7.0716 7.0721 7.0721 7.2862 7.2862 7.2867 7.2867 7.6550 7.6550 7.6556 7.6556 9.3133 9.3133 9.3133 9.3133 9.9838 9.9838 9.9839 9.9839 12.1372 12.1372 12.1373 12.1373 12.5354 12.5354 12.5355 12.5355 k = 0.0000 0.3615-0.0000 ( 3034 PWs) bands (ev): -3.2358 -3.2358 -3.0761 -3.0761 -0.6209 -0.6209 -0.5889 -0.5889 3.4111 3.4111 3.4191 3.4191 6.2575 6.2575 6.2656 6.2656 6.5316 6.5316 6.5652 6.5652 7.0320 7.0320 7.1069 7.1069 7.2772 7.2772 7.2958 7.2958 7.6502 7.6502 7.6599 7.6599 9.2066 9.2066 9.4175 9.4175 9.8773 9.8773 10.0920 10.0920 12.0892 12.0892 12.1835 12.1835 12.4456 12.4456 12.6231 12.6231 k = 0.0000 0.3506-0.0000 ( 3022 PWs) bands (ev): -3.3133 -3.3133 -2.9942 -2.9942 -0.6377 -0.6377 -0.5741 -0.5741 3.4155 3.4155 3.4311 3.4311 6.2546 6.2546 6.2709 6.2709 6.5142 6.5142 6.5805 6.5805 6.9870 6.9870 7.1376 7.1376 7.2682 7.2682 7.3052 7.3052 7.6447 7.6447 7.6641 7.6641 9.0995 9.0995 9.5171 9.5171 9.7724 9.7724 10.2014 10.2014 12.0400 12.0400 12.2256 12.2256 12.3564 12.3564 12.7066 12.7066 k = 0.0000 0.3396-0.0000 ( 3022 PWs) bands (ev): -3.3892 -3.3892 -2.9113 -2.9113 -0.6547 -0.6547 -0.5604 -0.5604 3.4255 3.4255 3.4481 3.4481 6.2525 6.2525 6.2769 6.2769 6.4966 6.4966 6.5937 6.5937 6.9370 6.9370 7.1642 7.1642 7.2593 7.2593 7.3146 7.3146 7.6388 7.6388 7.6677 7.6677 8.9941 8.9941 9.6086 9.6086 9.6703 9.6703 10.3120 10.3120 11.9897 11.9897 12.2330 12.2330 12.2991 12.2991 12.7822 12.7822 k = 0.0000 0.3287-0.0000 ( 3020 PWs) bands (ev): -3.4632 -3.4632 -2.8275 -2.8275 -0.6714 -0.6714 -0.5480 -0.5480 3.4414 3.4414 3.4699 3.4699 6.2512 6.2512 6.2835 6.2835 6.4789 6.4789 6.6028 6.6028 6.8834 6.8834 7.1873 7.1873 7.2508 7.2508 7.3241 7.3241 7.6326 7.6326 7.6707 7.6707 8.8921 8.8921 9.5659 9.5659 9.6950 9.6950 10.4235 10.4235 11.9387 11.9387 12.1525 12.1525 12.3271 12.3271 12.8419 12.8419 k = 0.0000 0.3177-0.0000 ( 3014 PWs) bands (ev): -3.5353 -3.5353 -2.7432 -2.7432 -0.6875 -0.6875 -0.5369 -0.5369 3.4631 3.4631 3.4963 3.4963 6.2508 6.2508 6.2908 6.2908 6.4613 6.4613 6.6031 6.6031 6.8301 6.8301 7.2074 7.2074 7.2425 7.2425 7.3334 7.3334 7.6261 7.6261 7.6732 7.6732 8.7951 8.7951 9.4665 9.4665 9.7667 9.7667 10.5356 10.5356 11.8870 11.8870 12.0584 12.0584 12.3665 12.3665 12.8790 12.8790 k = 0.0000 0.3068-0.0000 ( 3014 PWs) bands (ev): -3.6054 -3.6054 -2.6587 -2.6587 -0.7025 -0.7025 -0.5273 -0.5273 3.4907 3.4907 3.5270 3.5270 6.2511 6.2511 6.2987 6.2987 6.4439 6.4439 6.5843 6.5843 6.7869 6.7869 7.2245 7.2245 7.2348 7.2348 7.3426 7.3426 7.6194 7.6194 7.6749 7.6749 8.7043 8.7043 9.3686 9.3686 9.8253 9.8253 10.6479 10.6479 11.8344 11.8344 11.9632 11.9632 12.4060 12.4060 12.9045 12.9045 k = 0.0000 0.2958-0.0000 ( 3018 PWs) bands (ev): -3.6735 -3.6735 -2.5744 -2.5744 -0.7159 -0.7159 -0.5192 -0.5192 3.5242 3.5242 3.5618 3.5618 6.2521 6.2521 6.3072 6.3072 6.4266 6.4266 6.5353 6.5353 6.7647 6.7647 7.2265 7.2265 7.2401 7.2401 7.3516 7.3516 7.6124 7.6124 7.6761 7.6761 8.6207 8.6207 9.2726 9.2726 9.8685 9.8685 10.7597 10.7597 11.7791 11.7791 11.8704 11.8704 12.4442 12.4442 12.9312 12.9312 k = 0.0000 0.2849-0.0000 ( 3016 PWs) bands (ev): -3.7394 -3.7394 -2.4908 -2.4908 -0.7272 -0.7272 -0.5126 -0.5126 3.5635 3.5635 3.6004 3.6004 6.2538 6.2538 6.3161 6.3161 6.4093 6.4093 6.4584 6.4584 6.7617 6.7617 7.2196 7.2196 7.2527 7.2527 7.3605 7.3605 7.6053 7.6053 7.6767 7.6767 8.5449 8.5449 9.1784 9.1784 9.8948 9.8948 10.8699 10.8699 11.7145 11.7145 11.7884 11.7884 12.4810 12.4810 12.9638 12.9638 k = 0.0000 0.2739-0.0000 ( 3020 PWs) bands (ev): -3.8032 -3.8032 -2.4083 -2.4083 -0.7356 -0.7356 -0.5075 -0.5075 3.6083 3.6083 3.6426 3.6426 6.2554 6.2554 6.3253 6.3253 6.3606 6.3606 6.3949 6.3949 6.7691 6.7691 7.2129 7.2129 7.2634 7.2634 7.3691 7.3691 7.5982 7.5982 7.6766 7.6766 8.4771 8.4771 9.0862 9.0862 9.9034 9.9034 10.9765 10.9765 11.6319 11.6319 11.7283 11.7283 12.5160 12.5160 13.0033 13.0033 k = 0.0000 0.2629-0.0000 ( 3022 PWs) bands (ev): -3.8647 -3.8647 -2.3278 -2.3278 -0.7405 -0.7405 -0.5038 -0.5038 3.6585 3.6585 3.6884 3.6884 6.2373 6.2373 6.2726 6.2726 6.3348 6.3348 6.3784 6.3784 6.7814 6.7814 7.2068 7.2068 7.2724 7.2724 7.3775 7.3775 7.5910 7.5910 7.6760 7.6760 8.4170 8.4170 8.9961 8.9961 9.8938 9.8938 11.0756 11.0756 11.5380 11.5380 11.6874 11.6874 12.5491 12.5491 13.0488 13.0488 k = 0.0000 0.2520-0.0000 ( 3030 PWs) bands (ev): -3.9239 -3.9239 -2.2499 -2.2499 -0.7411 -0.7411 -0.5016 -0.5016 3.7131 3.7131 3.7380 3.7380 6.1261 6.1261 6.2679 6.2679 6.3430 6.3430 6.3644 6.3644 6.7963 6.7963 7.2012 7.2012 7.2797 7.2797 7.3855 7.3855 7.5838 7.5838 7.6750 7.6750 8.3644 8.3644 8.9079 8.9079 9.8663 9.8663 11.1590 11.1590 11.4418 11.4418 11.6655 11.6655 12.5802 12.5802 13.0976 13.0976 k = 0.0000 0.2410-0.0000 ( 3028 PWs) bands (ev): -3.9809 -3.9809 -2.1756 -2.1756 -0.7363 -0.7363 -0.5006 -0.5006 3.7702 3.7702 3.7930 3.7930 5.9986 5.9986 6.2722 6.2722 6.3418 6.3418 6.3611 6.3611 6.8125 6.8125 7.1964 7.1964 7.2855 7.2855 7.3934 7.3934 7.5767 7.5767 7.6735 7.6735 8.3185 8.3185 8.8220 8.8220 9.8220 9.8220 11.2089 11.2089 11.3526 11.3526 11.6710 11.6710 12.6092 12.6092 13.1452 13.1452 k = 0.0000 0.2301-0.0000 ( 3032 PWs) bands (ev): -4.0354 -4.0354 -2.1056 -2.1056 -0.7254 -0.7254 -0.5008 -0.5008 3.8269 3.8269 3.8558 3.8558 5.8641 5.8641 6.2776 6.2776 6.3296 6.3296 6.3695 6.3695 6.8297 6.8297 7.1922 7.1922 7.2896 7.2896 7.4009 7.4009 7.5696 7.5696 7.6716 7.6716 8.2786 8.2786 8.7382 8.7382 9.7620 9.7620 11.1871 11.1871 11.2999 11.2999 11.7132 11.7132 12.6361 12.6361 13.1867 13.1867 k = 0.0000 0.2191-0.0000 ( 3036 PWs) bands (ev): -4.0876 -4.0876 -2.0411 -2.0411 -0.7074 -0.7074 -0.5021 -0.5021 3.8826 3.8826 3.9261 3.9261 5.7243 5.7243 6.2836 6.2836 6.3166 6.3166 6.3799 6.3799 6.8476 6.8476 7.1888 7.1888 7.2923 7.2923 7.4082 7.4082 7.5627 7.5627 7.6695 7.6695 8.2439 8.2439 8.6566 8.6566 9.6880 9.6880 11.1029 11.1029 11.2779 11.2779 11.7888 11.7888 12.6610 12.6610 13.2195 13.2195 k = 0.0000 0.2082-0.0000 ( 3036 PWs) bands (ev): -4.1374 -4.1374 -1.9827 -1.9827 -0.6814 -0.6814 -0.5044 -0.5044 3.9384 3.9384 4.0025 4.0025 5.5807 5.5807 6.2888 6.2888 6.3054 6.3054 6.3908 6.3908 6.8659 6.8659 7.1863 7.1863 7.2935 7.2935 7.4151 7.4151 7.5560 7.5560 7.6673 7.6673 8.2134 8.2134 8.5774 8.5774 9.6017 9.6017 11.0045 11.0045 11.2506 11.2506 11.8858 11.8858 12.6840 12.6840 13.2440 13.2440 k = 0.0000 0.1972-0.0000 ( 3039 PWs) bands (ev): -4.1848 -4.1848 -1.9312 -1.9312 -0.6470 -0.6470 -0.5075 -0.5075 3.9943 3.9943 4.0841 4.0841 5.4345 5.4345 6.2861 6.2861 6.3033 6.3033 6.4019 6.4019 6.8847 6.8847 7.1848 7.1848 7.2932 7.2932 7.4216 7.4216 7.5495 7.5495 7.6649 7.6649 8.1863 8.1863 8.5008 8.5008 9.5049 9.5049 10.9033 10.9033 11.2165 11.2165 11.9946 11.9946 12.7050 12.7050 13.2624 13.2624 k = 0.0000 0.1862-0.0000 ( 3023 PWs) bands (ev): -4.2297 -4.2297 -1.8869 -1.8869 -0.6038 -0.6038 -0.5113 -0.5113 4.0502 4.0502 4.1702 4.1702 5.2867 5.2867 6.2762 6.2762 6.3097 6.3097 6.4132 6.4132 6.9039 6.9039 7.1844 7.1844 7.2913 7.2913 7.4277 7.4277 7.5434 7.5434 7.6626 7.6626 8.1616 8.1616 8.4269 8.4269 9.3994 9.3994 10.8018 10.8018 11.1789 11.1789 12.1099 12.1099 12.7243 12.7243 13.2759 13.2759 k = 0.0000 0.1753-0.0000 ( 3029 PWs) bands (ev): -4.2721 -4.2721 -1.8499 -1.8499 -0.5520 -0.5520 -0.5156 -0.5156 4.1055 4.1055 4.2606 4.2606 5.1387 5.1387 6.2658 6.2658 6.3179 6.3179 6.4242 6.4242 6.9235 6.9235 7.1849 7.1849 7.2875 7.2875 7.4333 7.4333 7.5375 7.5375 7.6601 7.6601 8.1384 8.1384 8.3563 8.3563 9.2871 9.2871 10.7009 10.7009 11.1399 11.1399 12.2285 12.2285 12.7420 12.7420 13.2825 13.2825 k = 0.0000 0.1643-0.0000 ( 3025 PWs) bands (ev): -4.3121 -4.3121 -1.8199 -1.8199 -0.5205 -0.5205 -0.4920 -0.4920 4.1595 4.1595 4.3547 4.3547 4.9918 4.9918 6.2562 6.2562 6.3267 6.3267 6.4352 6.4352 6.9435 6.9435 7.1867 7.1867 7.2818 7.2818 7.4382 7.4382 7.5322 7.5322 7.6578 7.6578 8.1152 8.1152 8.2898 8.2898 9.1696 9.1696 10.6015 10.6015 11.1008 11.1008 12.3488 12.3488 12.7581 12.7581 13.2809 13.2809 k = 0.0000 0.1534-0.0000 ( 3033 PWs) bands (ev): -4.3495 -4.3495 -1.7962 -1.7962 -0.5256 -0.5256 -0.4250 -0.4250 4.2106 4.2106 4.4521 4.4521 4.8478 4.8478 6.2476 6.2476 6.3358 6.3358 6.4459 6.4459 6.9639 6.9639 7.1897 7.1897 7.2738 7.2738 7.4423 7.4423 7.5275 7.5275 7.6555 7.6555 8.0899 8.0899 8.2291 8.2291 9.0488 9.0488 10.5041 10.5041 11.0625 11.0625 12.4694 12.4694 12.7727 12.7727 13.2746 13.2746 k = 0.0000 0.1424-0.0000 ( 3037 PWs) bands (ev): -4.3844 -4.3844 -1.7782 -1.7782 -0.5310 -0.5310 -0.3518 -0.3518 4.2560 4.2560 4.5525 4.5525 4.7102 4.7102 6.2403 6.2403 6.3450 6.3450 6.4563 6.4563 6.9847 6.9847 7.1939 7.1939 7.2633 7.2633 7.4455 7.4455 7.5235 7.5235 7.6532 7.6532 8.0592 8.0592 8.1771 8.1771 8.9264 8.9264 10.4094 10.4094 11.0254 11.0254 12.5893 12.5893 12.7862 12.7862 13.2660 13.2660 k = 0.0000 0.1315-0.0000 ( 3035 PWs) bands (ev): -4.4168 -4.4168 -1.7649 -1.7649 -0.5364 -0.5364 -0.2739 -0.2739 4.2871 4.2871 4.5878 4.5878 4.6554 4.6554 6.2344 6.2344 6.3542 6.3542 6.4663 6.4663 7.0058 7.0058 7.1994 7.1994 7.2495 7.2495 7.4477 7.4477 7.5206 7.5206 7.6511 7.6511 8.0201 8.0201 8.1368 8.1368 8.8041 8.8041 10.3180 10.3180 10.9899 10.9899 12.7067 12.7067 12.7994 12.7994 13.2564 13.2564 k = 0.0000 0.1205-0.0000 ( 3039 PWs) bands (ev): -4.4466 -4.4466 -1.7555 -1.7555 -0.5418 -0.5418 -0.1926 -0.1926 4.2771 4.2771 4.5083 4.5083 4.7599 4.7599 6.2303 6.2303 6.3633 6.3633 6.4759 6.4759 7.0273 7.0273 7.2051 7.2051 7.2331 7.2331 7.4487 7.4487 7.5187 7.5187 7.6488 7.6488 7.9733 7.9733 8.1072 8.1072 8.6838 8.6838 10.2304 10.2304 10.9565 10.9565 12.7978 12.7978 12.8353 12.8353 13.2466 13.2466 k = 0.0000 0.1096-0.0000 ( 3039 PWs) bands (ev): -4.4738 -4.4738 -1.7492 -1.7492 -0.5470 -0.5470 -0.1095 -0.1095 4.2007 4.2007 4.4975 4.4975 4.8654 4.8654 6.2283 6.2283 6.3722 6.3722 6.4848 6.4848 7.0488 7.0488 7.2003 7.2003 7.2238 7.2238 7.4484 7.4484 7.5180 7.5180 7.6464 7.6464 7.9227 7.9227 8.0844 8.0844 8.5674 8.5674 10.1474 10.1474 10.9253 10.9253 12.8140 12.8140 12.9414 12.9414 13.2373 13.2373 k = 0.0000 0.0986-0.0000 ( 3041 PWs) bands (ev): -4.4985 -4.4985 -1.7453 -1.7453 -0.5520 -0.5520 -0.0261 -0.0261 4.0916 4.0916 4.5220 4.5220 4.9711 4.9711 6.2289 6.2289 6.3808 6.3808 6.4933 6.4933 7.0701 7.0701 7.1741 7.1741 7.2315 7.2315 7.4471 7.4471 7.5183 7.5183 7.6437 7.6437 7.8716 7.8716 8.0650 8.0650 8.4571 8.4571 10.0697 10.0697 10.8965 10.8965 12.8230 12.8230 13.0486 13.0486 13.2292 13.2292 k = 0.0000 0.0876-0.0000 ( 3037 PWs) bands (ev): -4.5206 -4.5206 -1.7431 -1.7431 -0.5568 -0.5568 0.0560 0.0560 3.9775 3.9775 4.5552 4.5552 5.0756 5.0756 6.2328 6.2328 6.3888 6.3888 6.5011 6.5011 7.0901 7.0901 7.1385 7.1385 7.2438 7.2438 7.4452 7.4452 7.5197 7.5197 7.6400 7.6400 7.8225 7.8225 8.0476 8.0476 8.3549 8.3549 9.9979 9.9979 10.8703 10.8703 12.8304 12.8304 13.1463 13.1463 13.2264 13.2264 k = 0.0000 0.0767-0.0000 ( 3035 PWs) bands (ev): -4.5402 -4.5402 -1.7423 -1.7423 -0.5611 -0.5611 0.1351 0.1351 3.8674 3.8674 4.5890 4.5890 5.1775 5.1775 6.2408 6.2408 6.3963 6.3963 6.5081 6.5081 7.0858 7.0858 7.1174 7.1174 7.2587 7.2587 7.4428 7.4428 7.5216 7.5216 7.6343 7.6343 7.7771 7.7771 8.0313 8.0313 8.2629 8.2629 9.9327 9.9327 10.8469 10.8469 12.8367 12.8367 13.1957 13.1957 13.2663 13.2663 k = 0.0000 0.0657-0.0000 ( 3027 PWs) bands (ev): -4.5571 -4.5571 -1.7422 -1.7422 -0.5650 -0.5650 0.2095 0.2095 3.7653 3.7653 4.6206 4.6206 5.2746 5.2746 6.2541 6.2541 6.4030 6.4030 6.5145 6.5145 7.0333 7.0333 7.1340 7.1340 7.2758 7.2758 7.4404 7.4404 7.5240 7.5240 7.6246 7.6246 7.7381 7.7381 8.0160 8.0160 8.1828 8.1828 9.8747 9.8747 10.8263 10.8263 12.8419 12.8419 13.1959 13.1959 13.3442 13.3442 k = 0.0000 0.0548-0.0000 ( 3027 PWs) bands (ev): -4.5714 -4.5714 -1.7427 -1.7427 -0.5684 -0.5684 0.2771 0.2771 3.6737 3.6737 4.6486 4.6486 5.3645 5.3645 6.2741 6.2741 6.4089 6.4089 6.5199 6.5199 6.9693 6.9693 7.1514 7.1514 7.2950 7.2950 7.4380 7.4380 7.5264 7.5264 7.6075 7.6075 7.7090 7.7090 8.0018 8.0018 8.1156 8.1156 9.8245 9.8245 10.8087 10.8087 12.8462 12.8462 13.1914 13.1914 13.3522 13.3522 k = 0.0000 0.0438-0.0000 ( 3031 PWs) bands (ev): -4.5832 -4.5832 -1.7435 -1.7435 -0.5713 -0.5713 0.3362 0.3362 3.5950 3.5950 4.6722 4.6722 5.4440 5.4440 6.3024 6.3024 6.4138 6.4138 6.5244 6.5244 6.8973 6.8973 7.1670 7.1670 7.3162 7.3162 7.4361 7.4361 7.5287 7.5287 7.5818 7.5818 7.6915 7.6915 7.9890 7.9890 8.0617 8.0617 9.7826 9.7826 10.7942 10.7942 12.8497 12.8497 13.1870 13.1870 13.3533 13.3533 k = 0.0000 0.0329-0.0000 ( 3029 PWs) bands (ev): -4.5923 -4.5923 -1.7442 -1.7442 -0.5735 -0.5735 0.3847 0.3847 3.5312 3.5312 4.6911 4.6911 5.5099 5.5099 6.3401 6.3401 6.4177 6.4177 6.5279 6.5279 6.8204 6.8204 7.1798 7.1798 7.3393 7.3393 7.4345 7.4345 7.5299 7.5299 7.5517 7.5517 7.6826 7.6826 7.9782 7.9782 8.0210 8.0210 9.7496 9.7496 10.7828 10.7828 12.8523 12.8523 13.1833 13.1833 13.3540 13.3540 k = 0.0000 0.0219-0.0000 ( 3029 PWs) bands (ev): -4.5988 -4.5988 -1.7449 -1.7449 -0.5751 -0.5751 0.4208 0.4208 3.4841 3.4841 4.7048 4.7048 5.5591 5.5591 6.3861 6.3861 6.4207 6.4207 6.5304 6.5304 6.7430 6.7430 7.1894 7.1894 7.3631 7.3631 7.4335 7.4335 7.5159 7.5159 7.5357 7.5357 7.6783 7.6783 7.9696 7.9696 7.9929 7.9929 9.7257 9.7257 10.7747 10.7747 12.8542 12.8542 13.1806 13.1806 13.3545 13.3545 k = 0.0000 0.0110-0.0000 ( 3025 PWs) bands (ev): -4.6027 -4.6027 -1.7453 -1.7453 -0.5761 -0.5761 0.4432 0.4432 3.4551 3.4551 4.7132 4.7132 5.5894 5.5894 6.4215 6.4215 6.4352 6.4352 6.5320 6.5320 6.6751 6.6751 7.1953 7.1953 7.3849 7.3849 7.4330 7.4330 7.4897 7.4897 7.5356 7.5356 7.6764 7.6764 7.9637 7.9637 7.9768 7.9768 9.7113 9.7113 10.7698 10.7698 12.8553 12.8553 13.1790 13.1790 13.3547 13.3547 k = 0.0000 0.0000 0.0000 ( 3025 PWs) bands (ev): -4.6041 -4.6041 -1.7455 -1.7455 -0.5765 -0.5765 0.4508 0.4508 3.4454 3.4454 4.7159 4.7159 5.5996 5.5996 6.4225 6.4225 6.4603 6.4603 6.5324 6.5324 6.6428 6.6428 7.1973 7.1973 7.3954 7.3954 7.4330 7.4330 7.4773 7.4773 7.5359 7.5359 7.6758 7.6758 7.9614 7.9614 7.9718 7.9718 9.7065 9.7065 10.7681 10.7681 12.8556 12.8556 13.1785 13.1785 13.3548 13.3548 k = 0.0000 0.0000 0.0000 ( 3025 PWs) bands (ev): -4.6041 -4.6041 -1.7455 -1.7455 -0.5765 -0.5765 0.4508 0.4508 3.4454 3.4454 4.7159 4.7159 5.5996 5.5996 6.4225 6.4225 6.4603 6.4603 6.5324 6.5324 6.6428 6.6428 7.1973 7.1973 7.3954 7.3954 7.4330 7.4330 7.4773 7.4773 7.5359 7.5359 7.6758 7.6758 7.9614 7.9614 7.9718 7.9718 9.7065 9.7065 10.7681 10.7681 12.8556 12.8556 13.1785 13.1785 13.3548 13.3548 k = 0.0000 0.0000 0.0109 ( 3025 PWs) bands (ev): -4.6028 -4.6028 -1.7529 -1.7529 -0.5703 -0.5703 0.4510 0.4510 3.4468 3.4468 4.7177 4.7177 5.5990 5.5990 6.4225 6.4225 6.4587 6.4587 6.5324 6.5324 6.6308 6.6308 7.1994 7.1994 7.3947 7.3947 7.4227 7.4227 7.4830 7.4830 7.5403 7.5403 7.6807 7.6807 7.9627 7.9627 7.9815 7.9815 9.7082 9.7082 10.7642 10.7642 12.8574 12.8574 13.1604 13.1604 13.3555 13.3555 k = 0.0000 0.0000 0.0218 ( 3027 PWs) bands (ev): -4.5990 -4.5990 -1.7746 -1.7746 -0.5523 -0.5523 0.4517 0.4517 3.4510 3.4510 4.7228 4.7228 5.5969 5.5969 6.4223 6.4223 6.4539 6.4539 6.5321 6.5321 6.5965 6.5965 7.2054 7.2054 7.3917 7.3917 7.4051 7.4051 7.4839 7.4839 7.5590 7.5590 7.6924 7.6924 7.9634 7.9634 8.0135 8.0135 9.7134 9.7134 10.7525 10.7525 12.8622 12.8622 13.1115 13.1115 13.3533 13.3533 k = 0.0000 0.0000 0.0328 ( 3023 PWs) bands (ev): -4.5927 -4.5927 -1.8092 -1.8092 -0.5239 -0.5239 0.4529 0.4529 3.4579 3.4579 4.7315 4.7315 5.5933 5.5933 6.4217 6.4217 6.4460 6.4460 6.5302 6.5302 6.5459 6.5459 7.2147 7.2147 7.3806 7.3806 7.3945 7.3945 7.4766 7.4766 7.5890 7.5890 7.7072 7.7072 7.9635 7.9635 8.0656 8.0656 9.7221 9.7221 10.7333 10.7333 12.8682 12.8682 13.0419 13.0419 13.3424 13.3424 k = 0.0000 0.0000 0.0437 ( 3031 PWs) bands (ev): -4.5839 -4.5839 -1.8549 -1.8549 -0.4869 -0.4869 0.4545 0.4545 3.4674 3.4674 4.7437 4.7437 5.5878 5.5878 6.4194 6.4194 6.4339 6.4339 6.4807 6.4807 6.5328 6.5328 7.2259 7.2259 7.3639 7.3639 7.3906 7.3906 7.4675 7.4675 7.6217 7.6217 7.7238 7.7238 7.9634 7.9634 8.1342 8.1342 9.7342 9.7342 10.7070 10.7070 12.8653 12.8653 12.9675 12.9675 13.3202 13.3202 k = 0.0000 0.0000 0.0546 ( 3023 PWs) bands (ev): -4.5726 -4.5726 -1.9097 -1.9097 -0.4433 -0.4433 0.4565 0.4565 3.4794 3.4794 4.7598 4.7598 5.5802 5.5802 6.3855 6.3855 6.4210 6.4210 6.4406 6.4406 6.5322 6.5322 7.2365 7.2365 7.3497 7.3497 7.3879 7.3879 7.4591 7.4591 7.6513 7.6513 7.7450 7.7450 7.9634 7.9634 8.2145 8.2145 9.7501 9.7501 10.6738 10.6738 12.8109 12.8109 12.9349 12.9349 13.2870 13.2870 k = 0.0000 0.0000 0.0655 ( 3027 PWs) bands (ev): -4.5588 -4.5588 -1.9718 -1.9718 -0.3949 -0.3949 0.4589 0.4589 3.4936 3.4936 4.7797 4.7797 5.5695 5.5695 6.3098 6.3098 6.4130 6.4130 6.4314 6.4314 6.5317 6.5317 7.2425 7.2425 7.3415 7.3415 7.3865 7.3865 7.4519 7.4519 7.6735 7.6735 7.7740 7.7740 7.9633 7.9633 8.3025 8.3025 9.7696 9.7696 10.6345 10.6345 12.7092 12.7092 12.9426 12.9426 13.2443 13.2443 k = 0.0000 0.0000 0.0765 ( 3035 PWs) bands (ev): -4.5424 -4.5424 -2.0395 -2.0395 -0.3433 -0.3433 0.4617 0.4617 3.5097 3.5097 4.8036 4.8036 5.5551 5.5551 6.2283 6.2283 6.4023 6.4023 6.4292 6.4292 6.5311 6.5311 7.2407 7.2407 7.3405 7.3405 7.3880 7.3880 7.4455 7.4455 7.6881 7.6881 7.8110 7.8110 7.9634 7.9634 8.3943 8.3943 9.7928 9.7928 10.5895 10.5895 12.5939 12.5939 12.9588 12.9588 13.1944 13.1944 k = 0.0000 0.0000 0.0874 ( 3035 PWs) bands (ev): -4.5236 -4.5236 -2.1116 -2.1116 -0.2897 -0.2897 0.4648 0.4648 3.5277 3.5277 4.8316 4.8316 5.5356 5.5356 6.1478 6.1478 6.3911 6.3911 6.4288 6.4288 6.5304 6.5304 7.2318 7.2318 7.3426 7.3426 7.3955 7.3955 7.4397 7.4397 7.6976 7.6976 7.8539 7.8539 7.9638 7.9638 8.4870 8.4870 9.8198 9.8198 10.5395 10.5395 12.4739 12.4739 12.9742 12.9742 13.1422 13.1422 k = 0.0000 0.0000 0.0983 ( 3031 PWs) bands (ev): -4.5023 -4.5023 -2.1869 -2.1869 -0.2353 -0.2353 0.4681 0.4681 3.5472 3.5472 4.8637 4.8637 5.5094 5.5094 6.0720 6.0720 6.3807 6.3807 6.4291 6.4291 6.5296 6.5296 7.2193 7.2193 7.3424 7.3424 7.4107 7.4107 7.4341 7.4341 7.7043 7.7043 7.9000 7.9000 7.9650 7.9650 8.5775 8.5775 9.8506 9.8506 10.4849 10.4849 12.3535 12.3535 12.9761 12.9761 13.0998 13.0998 k = 0.0000 0.0000 0.1092 ( 3023 PWs) bands (ev): -4.4785 -4.4785 -2.2648 -2.2648 -0.1809 -0.1809 0.4716 0.4716 3.5681 3.5681 4.8997 4.8997 5.4749 5.4749 6.0038 6.0038 6.3719 6.3719 6.4297 6.4297 6.5285 6.5285 7.2057 7.2057 7.3391 7.3391 7.4276 7.4276 7.4322 7.4322 7.7095 7.7095 7.9442 7.9442 7.9712 7.9712 8.6633 8.6633 9.8854 9.8854 10.4264 10.4264 12.2360 12.2360 12.9438 12.9438 13.0888 13.0888 k = 0.0000 0.0000 0.1202 ( 3023 PWs) bands (ev): -4.4523 -4.4523 -2.3443 -2.3443 -0.1270 -0.1270 0.4752 0.4752 3.5902 3.5902 4.9396 4.9396 5.4307 5.4307 5.9454 5.9454 6.3650 6.3650 6.4304 6.4304 6.5271 6.5271 7.1923 7.1923 7.3336 7.3336 7.4222 7.4222 7.4548 7.4548 7.7140 7.7140 7.9603 7.9603 8.0078 8.0078 8.7417 8.7417 9.9240 9.9240 10.3644 10.3644 12.1243 12.1243 12.8837 12.8837 13.1034 13.1034 k = 0.0000 0.0000 0.1311 ( 3023 PWs) bands (ev): -4.4236 -4.4236 -2.4251 -2.4251 -0.0743 -0.0743 0.4789 0.4789 3.6133 3.6133 4.9827 4.9827 5.3769 5.3769 5.8978 5.8978 6.3608 6.3608 6.4313 6.4313 6.5255 6.5255 7.1799 7.1799 7.3268 7.3268 7.4157 7.4157 7.4789 7.4789 7.7179 7.7179 7.9633 7.9633 8.0599 8.0599 8.8102 8.8102 9.9665 9.9665 10.2994 10.2994 12.0213 12.0213 12.8134 12.8134 13.1271 13.1271 k = 0.0000 0.0000 0.1420 ( 3017 PWs) bands (ev): -4.3925 -4.3925 -2.5067 -2.5067 -0.0231 -0.0231 0.4825 0.4825 3.6374 3.6374 5.0277 5.0277 5.3153 5.3153 5.8606 5.8606 6.3597 6.3597 6.4325 6.4325 6.5236 6.5236 7.1687 7.1687 7.3191 7.3191 7.4086 7.4086 7.5030 7.5030 7.7216 7.7216 7.9656 7.9656 8.1149 8.1149 8.8661 8.8661 10.0130 10.0130 10.2319 10.2319 11.9294 11.9294 12.7397 12.7397 13.1538 13.1538 k = 0.0000 0.0000 0.1529 ( 3017 PWs) bands (ev): -4.3590 -4.3590 -2.5885 -2.5885 0.0262 0.0262 0.4860 0.4860 3.6625 3.6625 5.0707 5.0707 5.2514 5.2514 5.8320 5.8320 6.3624 6.3624 6.4337 6.4337 6.5215 6.5215 7.1590 7.1590 7.3105 7.3105 7.4003 7.4003 7.5264 7.5264 7.7251 7.7251 7.9683 7.9683 8.1718 8.1718 8.9071 8.9071 10.0630 10.0630 10.1626 10.1626 11.8508 11.8508 12.6660 12.6660 13.1816 13.1816 k = 0.0000 0.0000 0.1638 ( 3021 PWs) bands (ev): -4.3230 -4.3230 -2.6704 -2.6704 0.0734 0.0734 0.4892 0.4892 3.6886 3.6886 5.0925 5.0925 5.2060 5.2060 5.8099 5.8099 6.3693 6.3693 6.4352 6.4352 6.5190 6.5190 7.1508 7.1508 7.3014 7.3014 7.3908 7.3908 7.5486 7.5486 7.7285 7.7285 7.9718 7.9718 8.2303 8.2303 8.9314 8.9314 10.0882 10.0882 10.1200 10.1200 11.7865 11.7865 12.5947 12.5947 13.2094 13.2094 k = 0.0000 0.0000 0.1748 ( 3029 PWs) bands (ev): -4.2847 -4.2847 -2.7521 -2.7521 0.1183 0.1183 0.4921 0.4921 3.7159 3.7159 5.0522 5.0522 5.2211 5.2211 5.7928 5.7928 6.3811 6.3811 6.4368 6.4368 6.5162 6.5162 7.1442 7.1442 7.2918 7.2918 7.3799 7.3799 7.5695 7.5695 7.7316 7.7316 7.9762 7.9762 8.2902 8.2902 8.9377 8.9377 10.0170 10.0170 10.1760 10.1760 11.7364 11.7364 12.5284 12.5284 13.2370 13.2370 k = 0.0000 0.0000 0.1857 ( 3032 PWs) bands (ev): -4.2441 -4.2441 -2.8333 -2.8333 0.1607 0.1607 0.4946 0.4946 3.7445 3.7445 4.9806 4.9806 5.2667 5.2667 5.7792 5.7792 6.3984 6.3984 6.4385 6.4385 6.5132 6.5132 7.1392 7.1392 7.2816 7.2816 7.3672 7.3672 7.5888 7.5888 7.7346 7.7346 7.9819 7.9819 8.3516 8.3516 8.9259 8.9259 9.9429 9.9429 10.2372 10.2372 11.6985 11.6985 12.4703 12.4703 13.2637 13.2637 k = 0.0000 0.0000 0.1966 ( 3038 PWs) bands (ev): -4.2011 -4.2011 -2.9138 -2.9138 0.2005 0.2005 0.4964 0.4964 3.7745 3.7745 4.9025 4.9025 5.3179 5.3179 5.7679 5.7679 6.4219 6.4219 6.4405 6.4405 6.5099 6.5099 7.1357 7.1357 7.2711 7.2711 7.3524 7.3524 7.6066 7.6066 7.7374 7.7374 7.9891 7.9891 8.4143 8.4143 8.8969 8.8969 9.8679 9.8679 10.3019 10.3019 11.6686 11.6686 12.4246 12.4246 13.2894 13.2894 k = 0.0000 0.0000 0.2075 ( 3038 PWs) bands (ev): -4.1558 -4.1558 -2.9934 -2.9934 0.2376 0.2376 0.4976 0.4976 3.8062 3.8062 4.8233 4.8233 5.3693 5.3693 5.7582 5.7582 6.4425 6.4425 6.4524 6.4524 6.5065 6.5065 7.1337 7.1337 7.2603 7.2603 7.3352 7.3352 7.6230 7.6230 7.7397 7.7397 7.9981 7.9981 8.4781 8.4781 8.8527 8.8527 9.7921 9.7921 10.3698 10.3698 11.6410 11.6410 12.3960 12.3960 13.3138 13.3138 k = 0.0000 0.0000 0.2185 ( 3046 PWs) bands (ev): -4.1082 -4.1082 -3.0720 -3.0720 0.2720 0.2720 0.4979 0.4979 3.8398 3.8398 4.7446 4.7446 5.4185 5.4185 5.7494 5.7494 6.4450 6.4450 6.4891 6.4891 6.5031 6.5031 7.1331 7.1331 7.2490 7.2490 7.3153 7.3153 7.6379 7.6379 7.7413 7.7413 8.0093 8.0093 8.5430 8.5430 8.7962 8.7962 9.7159 9.7159 10.4406 10.4406 11.6096 11.6096 12.3889 12.3889 13.3364 13.3364 k = 0.0000 0.0000 0.2294 ( 3042 PWs) bands (ev): -4.0584 -4.0584 -3.1494 -3.1494 0.3038 0.3038 0.4972 0.4972 3.8754 3.8754 4.6675 4.6675 5.4645 5.4645 5.7411 5.7411 6.4475 6.4475 6.4986 6.4986 6.5342 6.5342 7.1338 7.1338 7.2371 7.2371 7.2925 7.2925 7.6516 7.6516 7.7423 7.7423 8.0232 8.0232 8.6077 8.6077 8.7316 8.7316 9.6393 9.6393 10.5142 10.5142 11.5697 11.5697 12.4058 12.4058 13.3567 13.3567 k = 0.0000 0.0000 0.2403 ( 3044 PWs) bands (ev): -4.0063 -4.0063 -3.2256 -3.2256 0.3327 0.3327 0.4954 0.4954 3.9134 3.9134 4.5923 4.5923 5.5062 5.5062 5.7329 5.7329 6.4503 6.4503 6.4947 6.4947 6.5852 6.5852 7.1354 7.1354 7.2237 7.2237 7.2671 7.2671 7.6642 7.6642 7.7424 7.7424 8.0401 8.0401 8.6428 8.6428 8.6916 8.6916 9.5627 9.5627 10.5901 10.5901 11.5193 11.5193 12.4462 12.4462 13.3732 13.3732 k = 0.0000 0.0000 0.2512 ( 3044 PWs) bands (ev): -3.9521 -3.9521 -3.3003 -3.3003 0.3590 0.3590 0.4923 0.4923 3.9538 3.9538 4.5196 4.5196 5.5435 5.5435 5.7244 5.7244 6.4532 6.4532 6.4907 6.4907 6.6424 6.6424 7.1375 7.1375 7.2063 7.2063 7.2418 7.2418 7.6758 7.6758 7.7415 7.7415 8.0607 8.0607 8.5768 8.5768 8.7508 8.7508 9.4860 9.4860 10.6682 10.6682 11.4592 11.4592 12.5072 12.5072 13.3815 13.3815 k = 0.0000 0.0000 0.2621 ( 3044 PWs) bands (ev): -3.8957 -3.8957 -3.3736 -3.3736 0.3827 0.3827 0.4877 0.4877 3.9969 3.9969 4.4495 4.4495 5.5760 5.5760 5.7153 5.7153 6.4564 6.4564 6.4866 6.4866 6.7043 6.7043 7.1375 7.1375 7.1818 7.1818 7.2218 7.2218 7.6865 7.6865 7.7395 7.7395 8.0856 8.0856 8.5023 8.5023 8.8197 8.8197 9.4096 9.4096 10.7480 10.7480 11.3912 11.3912 12.5847 12.5847 13.3659 13.3659 k = 0.0000 0.0000 0.2731 ( 3052 PWs) bands (ev): -3.8373 -3.8373 -3.4452 -3.4452 0.4037 0.4037 0.4816 0.4816 4.0428 4.0428 4.3822 4.3822 5.6041 5.6041 5.7054 5.7054 6.4597 6.4597 6.4825 6.4825 6.7694 6.7694 7.1210 7.1210 7.1635 7.1635 7.2076 7.2076 7.6963 7.6963 7.7364 7.7364 8.1154 8.1154 8.4294 8.4294 8.8903 8.8903 9.3336 9.3336 10.8293 10.8293 11.3173 11.3173 12.6748 12.6748 13.3016 13.3016 k = 0.0000 0.0000 0.2840 ( 3044 PWs) bands (ev): -3.7767 -3.7767 -3.5152 -3.5152 0.4223 0.4223 0.4738 0.4738 4.0917 4.0917 4.3179 4.3179 5.6283 5.6283 5.6941 5.6941 6.4632 6.4632 6.4785 6.4785 6.8361 6.8361 7.0789 7.0789 7.1638 7.1638 7.1961 7.1961 7.7053 7.7053 7.7322 7.7322 8.1511 8.1511 8.3608 8.3608 8.9621 8.9621 9.2579 9.2579 10.9115 10.9115 11.2395 11.2395 12.7740 12.7740 13.2050 13.2050 k = 0.0000 0.0000 0.2949 ( 3040 PWs) bands (ev): -3.7142 -3.7142 -3.5834 -3.5834 0.4384 0.4384 0.4641 0.4641 4.1436 4.1436 4.2567 4.2567 5.6488 5.6488 5.6812 5.6812 6.4669 6.4669 6.4745 6.4745 6.9023 6.9023 7.0256 7.0256 7.1695 7.1695 7.1862 7.1862 7.7135 7.7135 7.7270 7.7270 8.1931 8.1931 8.2981 8.2981 9.0349 9.0349 9.1829 9.1829 10.9942 10.9942 11.1590 11.1590 12.8793 12.8793 13.0979 13.0979 k = 0.0000 0.0000 0.3058 ( 3034 PWs) bands (ev): -3.6498 -3.6498 -3.6497 -3.6497 0.4523 0.4523 0.4523 0.4523 4.1985 4.1985 4.1987 4.1987 5.6662 5.6662 5.6664 5.6664 6.4704 6.4704 6.4709 6.4709 6.9659 6.9659 6.9663 6.9663 7.1770 7.1770 7.1775 7.1775 7.7205 7.7205 7.7210 7.7210 8.2419 8.2419 8.2422 8.2422 9.1085 9.1085 9.1086 9.1086 11.0769 11.0769 11.0770 11.0770 12.9881 12.9881 12.9882 12.9882 k = 0.0000 0.0000 0.3058 ( 3034 PWs) bands (ev): -3.6498 -3.6498 -3.6497 -3.6497 0.4523 0.4523 0.4523 0.4523 4.1985 4.1985 4.1987 4.1987 5.6662 5.6662 5.6664 5.6664 6.4704 6.4704 6.4709 6.4709 6.9659 6.9659 6.9663 6.9663 7.1770 7.1770 7.1775 7.1775 7.7205 7.7205 7.7210 7.7210 8.2419 8.2419 8.2422 8.2422 9.1085 9.1085 9.1086 9.1086 11.0769 11.0769 11.0770 11.0770 12.9881 12.9881 12.9882 12.9882 k = 0.0111-0.0000 0.3058 ( 3046 PWs) bands (ev): -3.6487 -3.6487 -3.6486 -3.6486 0.4522 0.4522 0.4525 0.4525 4.1993 4.1993 4.2000 4.2000 5.6664 5.6664 5.6667 5.6667 6.4670 6.4670 6.4720 6.4720 6.9635 6.9635 6.9698 6.9698 7.1738 7.1738 7.1757 7.1757 7.7167 7.7167 7.7219 7.7219 8.2410 8.2410 8.2430 8.2430 9.1013 9.1013 9.1060 9.1060 11.0822 11.0822 11.0846 11.0846 12.9822 12.9822 12.9922 12.9922 k = 0.0222-0.0000 0.3058 ( 3046 PWs) bands (ev): -3.6455 -3.6455 -3.6454 -3.6454 0.4521 0.4521 0.4527 0.4527 4.2021 4.2021 4.2035 4.2035 5.6672 5.6672 5.6678 5.6678 6.4613 6.4613 6.4711 6.4711 6.9619 6.9619 6.9747 6.9747 7.1659 7.1659 7.1693 7.1693 7.7098 7.7098 7.7201 7.7201 8.2400 8.2400 8.2438 8.2438 9.0848 9.0848 9.0942 9.0942 11.0998 11.0998 11.1047 11.1047 12.9736 12.9736 12.9946 12.9946 k = 0.0333-0.0000 0.3058 ( 3046 PWs) bands (ev): -3.6401 -3.6401 -3.6400 -3.6400 0.4520 0.4520 0.4529 0.4529 4.2070 4.2070 4.2090 4.2090 5.6686 5.6686 5.6695 5.6695 6.4535 6.4535 6.4681 6.4681 6.9606 6.9606 6.9800 6.9800 7.1541 7.1541 7.1585 7.1585 7.7003 7.7003 7.7156 7.7156 8.2390 8.2390 8.2446 8.2446 9.0602 9.0602 9.0741 9.0741 11.1286 11.1286 11.1361 11.1361 12.9606 12.9606 12.9953 12.9953 k = 0.0444-0.0000 0.3058 ( 3036 PWs) bands (ev): -3.6326 -3.6326 -3.6325 -3.6325 0.4520 0.4520 0.4532 0.4532 4.2140 4.2140 4.2167 4.2167 5.6706 5.6706 5.6717 5.6717 6.4439 6.4439 6.4629 6.4629 6.9581 6.9581 6.9846 6.9846 7.1398 7.1398 7.1442 7.1442 7.6886 7.6886 7.7086 7.7086 8.2379 8.2379 8.2451 8.2451 9.0292 9.0292 9.0472 9.0472 11.1668 11.1668 11.1771 11.1771 12.9409 12.9409 12.9929 12.9929 k = 0.0556-0.0000 0.3058 ( 3040 PWs) bands (ev): -3.6230 -3.6230 -3.6229 -3.6229 0.4519 0.4519 0.4534 0.4534 4.2229 4.2229 4.2264 4.2264 5.6728 5.6728 5.6742 5.6742 6.4325 6.4325 6.4557 6.4557 6.9519 6.9519 6.9858 6.9858 7.1251 7.1251 7.1288 7.1288 7.6750 7.6750 7.6994 7.6994 8.2368 8.2368 8.2454 8.2454 8.9937 8.9937 9.0154 9.0154 11.2123 11.2123 11.2257 11.2257 12.9111 12.9111 12.9844 12.9844 k = 0.0667-0.0000 0.3058 ( 3040 PWs) bands (ev): -3.6113 -3.6113 -3.6112 -3.6112 0.4518 0.4518 0.4536 0.4536 4.2338 4.2338 4.2381 4.2381 5.6752 5.6752 5.6769 5.6769 6.4194 6.4194 6.4463 6.4463 6.9392 6.9392 6.9796 6.9796 7.1132 7.1132 7.1165 7.1165 7.6601 7.6601 7.6884 7.6884 8.2355 8.2355 8.2454 8.2454 8.9555 8.9555 8.9804 8.9804 11.2629 11.2629 11.2796 11.2796 12.8672 12.8672 12.9624 12.9624 k = 0.0778-0.0000 0.3058 ( 3040 PWs) bands (ev): -3.5975 -3.5975 -3.5973 -3.5973 0.4516 0.4516 0.4536 0.4536 4.2466 4.2466 4.2518 4.2518 5.6776 5.6776 5.6796 5.6796 6.4047 6.4047 6.4349 6.4349 6.9170 6.9170 6.9616 6.9616 7.1072 7.1072 7.1116 7.1116 7.6443 7.6443 7.6761 7.6761 8.2340 8.2340 8.2449 8.2449 8.9162 8.9162 8.9438 8.9438 11.3166 11.3166 11.3368 11.3368 12.8062 12.8062 12.9142 12.9142 k = 0.0889-0.0000 0.3058 ( 3040 PWs) bands (ev): -3.5816 -3.5816 -3.5814 -3.5814 0.4513 0.4513 0.4535 0.4535 4.2613 4.2613 4.2675 4.2675 5.6796 5.6796 5.6820 5.6820 6.3882 6.3882 6.4214 6.4214 6.8852 6.8852 6.9314 6.9314 7.1079 7.1079 7.1154 7.1154 7.6279 7.6279 7.6629 7.6629 8.2323 8.2323 8.2438 8.2438 8.8773 8.8773 8.9070 8.9070 11.3715 11.3715 11.3953 11.3953 12.7273 12.7273 12.8333 12.8333 k = 0.1000-0.0000 0.3058 ( 3042 PWs) bands (ev): -3.5637 -3.5637 -3.5635 -3.5635 0.4507 0.4507 0.4533 0.4533 4.2777 4.2777 4.2849 4.2849 5.6808 5.6808 5.6836 5.6836 6.3699 6.3699 6.4053 6.4053 6.8459 6.8459 6.8921 6.8921 7.1144 7.1144 7.1256 7.1256 7.6115 7.6115 7.6490 7.6490 8.2301 8.2301 8.2421 8.2421 8.8397 8.8397 8.8710 8.8710 11.4260 11.4260 11.4534 11.4534 12.6323 12.6323 12.7280 12.7280 k = 0.1111-0.0000 0.3058 ( 3042 PWs) bands (ev): -3.5437 -3.5437 -3.5435 -3.5435 0.4499 0.4499 0.4527 0.4527 4.2957 4.2957 4.3042 4.3042 5.6806 5.6806 5.6839 5.6839 6.3494 6.3494 6.3862 6.3862 6.8022 6.8022 6.8475 6.8475 7.1250 7.1250 7.1398 7.1398 7.5952 7.5952 7.6350 7.6350 8.2276 8.2276 8.2396 8.2396 8.8042 8.8042 8.8364 8.8364 11.4785 11.4785 11.5097 11.5097 12.5246 12.5246 12.6084 12.6084 k = 0.1222-0.0000 0.3058 ( 3038 PWs) bands (ev): -3.5218 -3.5218 -3.5216 -3.5216 0.4487 0.4487 0.4518 0.4518 4.3152 4.3152 4.3250 4.3250 5.6785 5.6785 5.6824 5.6824 6.3266 6.3266 6.3636 6.3636 6.7575 6.7575 6.8010 6.8010 7.1384 7.1384 7.1564 7.1564 7.5794 7.5794 7.6209 7.6209 8.2244 8.2244 8.2361 8.2361 8.7712 8.7712 8.8036 8.8036 11.5279 11.5279 11.5629 11.5629 12.4072 12.4072 12.4803 12.4803 k = 0.1333-0.0000 0.3058 ( 3034 PWs) bands (ev): -3.4979 -3.4979 -3.4977 -3.4977 0.4471 0.4471 0.4505 0.4505 4.3360 4.3360 4.3474 4.3474 5.6735 5.6735 5.6780 5.6780 6.3012 6.3012 6.3369 6.3369 6.7149 6.7149 6.7555 6.7555 7.1537 7.1537 7.1746 7.1746 7.5639 7.5639 7.6071 7.6071 8.2207 8.2207 8.2316 8.2316 8.7407 8.7407 8.7729 8.7729 11.5729 11.5729 11.6119 11.6119 12.2830 12.2830 12.3468 12.3468 k = 0.1444-0.0000 0.3058 ( 3034 PWs) bands (ev): -3.4721 -3.4721 -3.4719 -3.4719 0.4451 0.4451 0.4487 0.4487 4.3579 4.3579 4.3711 4.3711 5.6645 5.6645 5.6699 5.6699 6.2735 6.2735 6.3060 6.3060 6.6771 6.6771 6.7133 6.7133 7.1703 7.1703 7.1937 7.1937 7.5490 7.5490 7.5937 7.5937 8.2161 8.2161 8.2259 8.2259 8.7129 8.7129 8.7442 8.7442 11.6126 11.6126 11.6556 11.6556 12.1545 12.1545 12.2100 12.2100 k = 0.1556-0.0000 0.3058 ( 3044 PWs) bands (ev): -3.4445 -3.4445 -3.4442 -3.4442 0.4424 0.4424 0.4463 0.4463 4.3806 4.3806 4.3959 4.3959 5.6502 5.6502 5.6568 5.6568 6.2440 6.2440 6.2719 6.2719 6.6459 6.6459 6.6765 6.6765 7.1876 7.1876 7.2133 7.2133 7.5347 7.5347 7.5808 7.5808 8.2108 8.2108 8.2190 8.2190 8.6876 8.6876 8.7173 8.7173 11.6452 11.6452 11.6930 11.6930 12.0243 12.0243 12.0719 12.0719 k = 0.1667-0.0000 0.3058 ( 3036 PWs) bands (ev): -3.4150 -3.4150 -3.4147 -3.4147 0.4391 0.4391 0.4432 0.4432 4.4038 4.4038 4.4216 4.4216 5.6295 5.6295 5.6378 5.6378 6.2142 6.2142 6.2367 6.2367 6.6221 6.6221 6.6463 6.6463 7.2052 7.2052 7.2332 7.2332 7.5211 7.5211 7.5687 7.5687 8.2045 8.2045 8.2106 8.2106 8.6646 8.6646 8.6924 8.6924 11.6664 11.6664 11.7211 11.7211 11.8976 11.8976 11.9357 11.9357 k = 0.1778-0.0000 0.3058 ( 3026 PWs) bands (ev): -3.3838 -3.3838 -3.3835 -3.3835 0.4350 0.4350 0.4393 0.4393 4.4270 4.4270 4.4476 4.4476 5.6014 5.6014 5.6120 5.6120 6.1860 6.1860 6.2029 6.2029 6.6054 6.6054 6.6230 6.6230 7.2228 7.2228 7.2530 7.2530 7.5082 7.5082 7.5573 7.5573 8.1972 8.1972 8.2009 8.2009 8.6438 8.6438 8.6690 8.6690 11.6555 11.6555 11.7207 11.7207 11.7956 11.7956 11.8211 11.8211 k = 0.1889-0.0000 0.3058 ( 3030 PWs) bands (ev): -3.3508 -3.3508 -3.3505 -3.3505 0.4300 0.4300 0.4345 0.4345 4.4495 4.4495 4.4735 4.4735 5.5654 5.5654 5.5792 5.5792 6.1611 6.1611 6.1729 6.1729 6.5951 6.5951 6.6065 6.6065 7.2401 7.2401 7.2723 7.2723 7.4962 7.4962 7.5470 7.5470 8.1889 8.1889 8.1897 8.1897 8.6247 8.6247 8.6468 8.6468 11.5689 11.5689 11.6242 11.6242 11.7626 11.7626 11.7963 11.7963 k = 0.2000-0.0000 0.3058 ( 3034 PWs) bands (ev): -3.3163 -3.3163 -3.3160 -3.3160 0.4240 0.4240 0.4288 0.4288 4.4707 4.4707 4.4986 4.4986 5.5223 5.5223 5.5403 5.5403 6.1407 6.1407 6.1483 6.1483 6.5903 6.5903 6.5962 6.5962 7.2566 7.2566 7.2909 7.2909 7.4852 7.4852 7.5378 7.5378 8.1769 8.1769 8.1796 8.1796 8.6070 8.6070 8.6257 8.6257 11.4437 11.4437 11.4902 11.4902 11.7621 11.7621 11.8029 11.8029 k = 0.2111-0.0000 0.3058 ( 3034 PWs) bands (ev): -3.2802 -3.2802 -3.2799 -3.2799 0.4170 0.4170 0.4219 0.4219 4.4895 4.4895 4.5220 4.5220 5.4741 5.4741 5.4974 5.4974 6.1251 6.1251 6.1296 6.1296 6.5904 6.5904 6.5916 6.5916 7.2721 7.2721 7.3082 7.3082 7.4754 7.4754 7.5300 7.5300 8.1627 8.1627 8.1691 8.1691 8.5906 8.5906 8.6055 8.6055 11.3110 11.3110 11.3524 11.3524 11.7637 11.7637 11.8080 11.8080 k = 0.2222-0.0000 0.3058 ( 3030 PWs) bands (ev): -3.2427 -3.2427 -3.2424 -3.2424 0.4088 0.4088 0.4139 0.4139 4.5047 4.5047 4.5424 4.5424 5.4237 5.4237 5.4530 5.4530 6.1142 6.1142 6.1164 6.1164 6.5921 6.5921 6.5948 6.5948 7.2862 7.2862 7.3239 7.3239 7.4675 7.4675 7.5239 7.5239 8.1470 8.1470 8.1576 8.1576 8.5750 8.5750 8.5858 8.5858 11.1769 11.1769 11.2149 11.2149 11.7616 11.7616 11.8078 11.8078 k = 0.2333-0.0000 0.3058 ( 3022 PWs) bands (ev): -3.2038 -3.2038 -3.2035 -3.2035 0.3994 0.3994 0.4047 0.4047 4.5149 4.5149 4.5582 4.5582 5.3743 5.3743 5.4103 5.4103 6.1072 6.1072 6.1078 6.1078 6.5971 6.5971 6.6030 6.6030 7.2983 7.2983 7.3369 7.3369 7.4618 7.4618 7.5196 7.5196 8.1300 8.1300 8.1451 8.1451 8.5602 8.5602 8.5666 8.5666 11.0435 11.0435 11.0789 11.0789 11.7547 11.7547 11.8021 11.8021 k = 0.2444-0.0000 0.3058 ( 3026 PWs) bands (ev): -3.1637 -3.1637 -3.1633 -3.1633 0.3886 0.3886 0.3940 0.3940 4.5183 4.5183 4.5673 4.5673 5.3299 5.3299 5.3727 5.3727 6.1029 6.1029 6.1033 6.1033 6.6062 6.6062 6.6147 6.6147 7.3082 7.3082 7.3464 7.3464 7.4592 7.4592 7.5175 7.5175 8.1115 8.1115 8.1315 8.1315 8.5457 8.5457 8.5475 8.5475 10.9116 10.9116 10.9449 10.9449 11.7427 11.7427 11.7908 11.7908 k = 0.2556-0.0000 0.3058 ( 3026 PWs) bands (ev): -3.1224 -3.1224 -3.1221 -3.1221 0.3764 0.3764 0.3820 0.3820 4.5135 4.5135 4.5677 4.5677 5.2939 5.2939 5.3430 5.3430 6.1007 6.1007 6.1018 6.1018 6.6189 6.6189 6.6295 6.6295 7.3155 7.3155 7.3517 7.3517 7.4602 7.4602 7.5176 7.5176 8.0919 8.0919 8.1171 8.1171 8.5285 8.5285 8.5316 8.5316 10.7817 10.7817 10.8133 10.8133 11.7259 11.7259 11.7743 11.7743 k = 0.2667-0.0000 0.3058 ( 3026 PWs) bands (ev): -3.0801 -3.0801 -3.0798 -3.0798 0.3628 0.3628 0.3685 0.3685 4.4995 4.4995 4.5576 4.5576 5.2694 5.2694 5.3235 5.3235 6.1007 6.1007 6.1020 6.1020 6.6351 6.6351 6.6472 6.6472 7.3201 7.3201 7.3529 7.3529 7.4644 7.4644 7.5198 7.5198 8.0712 8.0712 8.1020 8.1020 8.5093 8.5093 8.5174 8.5174 10.6544 10.6544 10.6847 10.6847 11.7046 11.7046 11.7531 11.7531 k = 0.2778-0.0000 0.3058 ( 3022 PWs) bands (ev): -3.0370 -3.0370 -3.0366 -3.0366 0.3476 0.3476 0.3535 0.3535 4.4760 4.4760 4.5364 4.5364 5.2581 5.2581 5.3153 5.3153 6.1022 6.1022 6.1037 6.1037 6.6542 6.6542 6.6676 6.6676 7.3221 7.3221 7.3507 7.3507 7.4710 7.4710 7.5240 7.5240 8.0497 8.0497 8.0862 8.0862 8.4901 8.4901 8.5032 8.5032 10.5300 10.5300 10.5591 10.5591 11.6793 11.6793 11.7278 11.7278 k = 0.2889-0.0000 0.3058 ( 3022 PWs) bands (ev): -2.9931 -2.9931 -2.9928 -2.9928 0.3310 0.3310 0.3369 0.3369 4.4441 4.4441 4.5047 4.5047 5.2599 5.2599 5.3183 5.3183 6.1049 6.1049 6.1063 6.1063 6.6761 6.6761 6.6903 6.6903 7.3217 7.3217 7.3462 7.3462 7.4784 7.4784 7.5294 7.5294 8.0275 8.0275 8.0700 8.0700 8.4707 8.4707 8.4889 8.4889 10.4087 10.4087 10.4370 10.4370 11.6507 11.6507 11.6990 11.6990 k = 0.3000-0.0000 0.3058 ( 3014 PWs) bands (ev): -2.9488 -2.9488 -2.9484 -2.9484 0.3129 0.3129 0.3189 0.3189 4.4052 4.4052 4.4646 4.4646 5.2736 5.2736 5.3316 5.3316 6.1083 6.1083 6.1097 6.1097 6.7004 6.7004 6.7152 6.7152 7.3193 7.3193 7.3403 7.3403 7.4855 7.4855 7.5354 7.5354 8.0049 8.0049 8.0535 8.0535 8.4513 8.4513 8.4745 8.4745 10.2908 10.2908 10.3186 10.3186 11.6193 11.6193 11.6673 11.6673 k = 0.3111-0.0000 0.3058 ( 3018 PWs) bands (ev): -2.9041 -2.9041 -2.9037 -2.9037 0.2934 0.2934 0.2994 0.2994 4.3613 4.3613 4.4186 4.4186 5.2969 5.2969 5.3535 5.3535 6.1123 6.1123 6.1135 6.1135 6.7269 6.7269 6.7419 6.7419 7.3152 7.3152 7.3334 7.3334 7.4914 7.4914 7.5412 7.5412 7.9824 7.9824 8.0368 8.0368 8.4319 8.4319 8.4600 8.4600 10.1766 10.1766 10.2041 10.2041 11.5857 11.5857 11.6335 11.6335 k = 0.3222-0.0000 0.3058 ( 3018 PWs) bands (ev): -2.8592 -2.8592 -2.8589 -2.8589 0.2725 0.2725 0.2786 0.2786 4.3143 4.3143 4.3690 4.3690 5.3278 5.3278 5.3825 5.3825 6.1166 6.1166 6.1177 6.1177 6.7552 6.7552 6.7704 6.7704 7.3097 7.3097 7.3261 7.3261 7.4954 7.4954 7.5460 7.5460 7.9602 7.9602 8.0202 8.0202 8.4129 8.4129 8.4455 8.4455 10.0664 10.0664 10.0937 10.0937 11.5506 11.5506 11.5982 11.5982 k = 0.3333-0.0000 0.3058 ( 3022 PWs) bands (ev): -2.8145 -2.8145 -2.8142 -2.8142 0.2504 0.2504 0.2565 0.2565 4.2660 4.2660 4.3180 4.3180 5.3646 5.3646 5.4170 5.4170 6.1210 6.1210 6.1221 6.1221 6.7851 6.7851 6.8003 6.8003 7.3030 7.3030 7.3186 7.3186 7.4968 7.4968 7.5491 7.5491 7.9388 7.9388 8.0036 8.0036 8.3945 8.3945 8.4313 8.4313 9.9603 9.9603 9.9877 9.9877 11.5147 11.5147 11.5619 11.5619 k = 0.3444-0.0000 0.3058 ( 3028 PWs) bands (ev): -2.7702 -2.7702 -2.7698 -2.7698 0.2273 0.2273 0.2333 0.2333 4.2176 4.2176 4.2670 4.2670 5.4056 5.4056 5.4559 5.4559 6.1253 6.1253 6.1265 6.1265 6.8163 6.8163 6.8313 6.8313 7.2953 7.2953 7.3108 7.3108 7.4953 7.4953 7.5497 7.5497 7.9187 7.9187 7.9870 7.9870 8.3773 8.3773 8.4177 8.4177 9.8585 9.8585 9.8862 9.8862 11.4784 11.4784 11.5255 11.5255 k = 0.3556-0.0000 0.3058 ( 3030 PWs) bands (ev): -2.7265 -2.7265 -2.7261 -2.7261 0.2033 0.2033 0.2094 0.2094 4.1702 4.1702 4.2172 4.2172 5.4499 5.4499 5.4979 5.4979 6.1295 6.1295 6.1308 6.1308 6.8487 6.8487 6.8634 6.8634 7.2867 7.2867 7.3031 7.3031 7.4907 7.4907 7.5473 7.5473 7.9002 7.9002 7.9704 7.9704 8.3617 8.3617 8.4049 8.4049 9.7612 9.7612 9.7894 9.7894 11.4425 11.4425 11.4893 11.4893 k = 0.3667-0.0000 0.3058 ( 3030 PWs) bands (ev): -2.6838 -2.6838 -2.6834 -2.6834 0.1788 0.1788 0.1848 0.1848 4.1248 4.1248 4.1696 4.1696 5.4964 5.4964 5.5423 5.5423 6.1332 6.1332 6.1348 6.1348 6.8819 6.8819 6.8963 6.8963 7.2774 7.2774 7.2954 7.2954 7.4831 7.4831 7.5415 7.5415 7.8835 7.8835 7.9532 7.9532 8.3485 8.3485 8.3934 8.3934 9.6686 9.6686 9.6976 9.6976 11.4073 11.4073 11.4539 11.4539 k = 0.3778-0.0000 0.3058 ( 3026 PWs) bands (ev): -2.6423 -2.6423 -2.6420 -2.6420 0.1540 0.1540 0.1599 0.1599 4.0818 4.0818 4.1247 4.1247 5.5444 5.5444 5.5882 5.5882 6.1363 6.1363 6.1385 6.1385 6.9157 6.9157 6.9297 6.9297 7.2672 7.2672 7.2876 7.2876 7.4726 7.4726 7.5324 7.5324 7.8686 7.8686 7.9353 7.9353 8.3382 8.3382 8.3836 8.3836 9.5809 9.5809 9.6108 9.6108 11.3734 11.3734 11.4199 11.4199 k = 0.3889-0.0000 0.3058 ( 3034 PWs) bands (ev): -2.6025 -2.6025 -2.6022 -2.6022 0.1292 0.1292 0.1351 0.1351 4.0418 4.0418 4.0829 4.0829 5.5931 5.5931 5.6349 5.6349 6.1384 6.1384 6.1414 6.1414 6.9498 6.9498 6.9633 6.9633 7.2562 7.2562 7.2796 7.2796 7.4596 7.4596 7.5201 7.5201 7.8552 7.8552 7.9162 7.9162 8.3312 8.3312 8.3760 8.3760 9.4983 9.4983 9.5292 9.5292 11.3412 11.3412 11.3875 11.3875 k = 0.4000-0.0000 0.3058 ( 3038 PWs) bands (ev): -2.5648 -2.5648 -2.5645 -2.5645 0.1049 0.1049 0.1108 0.1108 4.0050 4.0050 4.0446 4.0446 5.6421 5.6421 5.6818 5.6818 6.1394 6.1394 6.1435 6.1435 6.9838 6.9838 6.9969 6.9969 7.2445 7.2445 7.2714 7.2714 7.4448 7.4448 7.5052 7.5052 7.8429 7.8429 7.8957 7.8957 8.3279 8.3279 8.3709 8.3709 9.4210 9.4210 9.4531 9.4531 11.3111 11.3111 11.3573 11.3573 k = 0.4111-0.0000 0.3058 ( 3046 PWs) bands (ev): -2.5295 -2.5295 -2.5292 -2.5292 0.0815 0.0815 0.0873 0.0873 3.9718 3.9718 4.0101 4.0101 5.6906 5.6906 5.7281 5.7281 6.1391 6.1391 6.1445 6.1445 7.0176 7.0176 7.0303 7.0303 7.2323 7.2323 7.2629 7.2629 7.4289 7.4289 7.4883 7.4883 7.8311 7.8311 7.8739 7.8739 8.3282 8.3282 8.3686 8.3686 9.3493 9.3493 9.3826 9.3826 11.2834 11.2834 11.3294 11.3294 k = 0.4222-0.0000 0.3058 ( 3046 PWs) bands (ev): -2.4970 -2.4970 -2.4967 -2.4967 0.0594 0.0594 0.0652 0.0652 3.9423 3.9423 3.9795 3.9795 5.7381 5.7381 5.7733 5.7733 6.1370 6.1370 6.1442 6.1442 7.0506 7.0506 7.0627 7.0627 7.2203 7.2203 7.2543 7.2543 7.4127 7.4127 7.4701 7.4701 7.8197 7.8197 7.8510 7.8510 8.3318 8.3318 8.3691 8.3691 9.2835 9.2835 9.3183 9.3183 11.2583 11.2583 11.3042 11.3042 k = 0.4333-0.0000 0.3058 ( 3048 PWs) bands (ev): -2.4678 -2.4678 -2.4674 -2.4674 0.0390 0.0390 0.0448 0.0448 3.9167 3.9167 3.9528 3.9528 5.7841 5.7841 5.8167 5.8167 6.1330 6.1330 6.1423 6.1423 7.0824 7.0824 7.0935 7.0935 7.2092 7.2092 7.2455 7.2455 7.3970 7.3970 7.4511 7.4511 7.8085 7.8085 7.8277 7.8277 8.3381 8.3381 8.3722 8.3722 9.2242 9.2242 9.2604 9.2604 11.2362 11.2362 11.2820 11.2820 k = 0.4444-0.0000 0.3058 ( 3036 PWs) bands (ev): -2.4422 -2.4422 -2.4419 -2.4419 0.0209 0.0209 0.0266 0.0266 3.8949 3.8949 3.9303 3.9303 5.8277 5.8277 5.8574 5.8574 6.1269 6.1269 6.1388 6.1388 7.1123 7.1123 7.1207 7.1207 7.2012 7.2012 7.2368 7.2368 7.3824 7.3824 7.4318 7.4318 7.7977 7.7977 7.8049 7.8049 8.3461 8.3461 8.3773 8.3773 9.1718 9.1718 9.2095 9.2095 11.2171 11.2171 11.2629 11.2629 k = 0.4556-0.0000 0.3058 ( 3036 PWs) bands (ev): -2.4206 -2.4206 -2.4203 -2.4203 0.0054 0.0054 0.0110 0.0110 3.8770 3.8770 3.9118 3.9118 5.8682 5.8682 5.8947 5.8947 6.1186 6.1186 6.1335 6.1335 7.1393 7.1393 7.1397 7.1397 7.2009 7.2009 7.2287 7.2287 7.3694 7.3694 7.4124 7.4124 7.7836 7.7836 7.7878 7.7878 8.3550 8.3550 8.3837 8.3837 9.1270 9.1270 9.1662 9.1662 11.2013 11.2013 11.2470 11.2470 k = 0.4667-0.0000 0.3058 ( 3032 PWs) bands (ev): -2.4035 -2.4035 -2.4032 -2.4032 -0.0071 -0.0071 -0.0015 -0.0015 3.8631 3.8631 3.8974 3.8974 5.9045 5.9045 5.9274 5.9274 6.1082 6.1082 6.1267 6.1267 7.1459 7.1459 7.1623 7.1623 7.2127 7.2127 7.2219 7.2219 7.3583 7.3583 7.3934 7.3934 7.7651 7.7651 7.7792 7.7792 8.3635 8.3635 8.3903 8.3903 9.0908 9.0908 9.1313 9.1313 11.1889 11.1889 11.2346 11.2346 k = 0.4778-0.0000 0.3058 ( 3040 PWs) bands (ev): -2.3910 -2.3910 -2.3907 -2.3907 -0.0163 -0.0163 -0.0108 -0.0108 3.8532 3.8532 3.8871 3.8871 5.9350 5.9350 5.9539 5.9539 6.0969 6.0969 6.1193 6.1193 7.1445 7.1445 7.1794 7.1794 7.2178 7.2178 7.2309 7.2309 7.3495 7.3495 7.3758 7.3758 7.7506 7.7506 7.7724 7.7724 8.3706 8.3706 8.3961 8.3961 9.0639 9.0639 9.1055 9.1055 11.1800 11.1800 11.2256 11.2256 k = 0.4889-0.0000 0.3058 ( 3036 PWs) bands (ev): -2.3834 -2.3834 -2.3831 -2.3831 -0.0220 -0.0220 -0.0164 -0.0164 3.8472 3.8472 3.8809 3.8809 5.9567 5.9567 5.9718 5.9718 6.0869 6.0869 6.1130 6.1130 7.1420 7.1420 7.1886 7.1886 7.2170 7.2170 7.2467 7.2467 7.3437 7.3437 7.3619 7.3619 7.7413 7.7413 7.7682 7.7682 8.3754 8.3754 8.4002 8.4002 9.0474 9.0474 9.0897 9.0897 11.1746 11.1746 11.2202 11.2202 k = 0.5000-0.0000 0.3058 ( 3028 PWs) bands (ev): -2.3809 -2.3809 -2.3806 -2.3806 -0.0238 -0.0238 -0.0183 -0.0183 3.8453 3.8453 3.8789 3.8789 5.9649 5.9649 5.9784 5.9784 6.0827 6.0827 6.1105 6.1105 7.1410 7.1410 7.1912 7.1912 7.2176 7.2176 7.2533 7.2533 7.3416 7.3416 7.3562 7.3562 7.7382 7.7382 7.7667 7.7667 8.3770 8.3770 8.4016 8.4016 9.0418 9.0418 9.0843 9.0843 11.1728 11.1728 11.2184 11.2184 k = 0.5000-0.0000 0.3058 ( 3028 PWs) bands (ev): -2.3809 -2.3809 -2.3806 -2.3806 -0.0238 -0.0238 -0.0183 -0.0183 3.8453 3.8453 3.8789 3.8789 5.9649 5.9649 5.9784 5.9784 6.0827 6.0827 6.1105 6.1105 7.1410 7.1410 7.1912 7.1912 7.2176 7.2176 7.2533 7.2533 7.3416 7.3416 7.3562 7.3562 7.7382 7.7382 7.7667 7.7667 8.3770 8.3770 8.4016 8.4016 9.0418 9.0418 9.0843 9.0843 11.1728 11.1728 11.2184 11.2184 k = 0.5000 0.0110 0.3058 ( 3036 PWs) bands (ev): -2.3801 -2.3801 -2.3798 -2.3798 -0.0241 -0.0241 -0.0186 -0.0186 3.8421 3.8421 3.8756 3.8756 5.9625 5.9625 5.9757 5.9757 6.0860 6.0860 6.1137 6.1137 7.1296 7.1296 7.1818 7.1818 7.2102 7.2102 7.2510 7.2510 7.3563 7.3563 7.3679 7.3679 7.7384 7.7384 7.7668 7.7668 8.3757 8.3757 8.3993 8.3993 9.0476 9.0476 9.0893 9.0893 11.1788 11.1788 11.2245 11.2245 k = 0.5000 0.0219 0.3058 ( 3032 PWs) bands (ev): -2.3779 -2.3779 -2.3776 -2.3776 -0.0249 -0.0249 -0.0194 -0.0194 3.8329 3.8329 3.8659 3.8659 5.9554 5.9554 5.9680 5.9680 6.0960 6.0960 6.1229 6.1229 7.0993 7.0993 7.1477 7.1477 7.2070 7.2070 7.2483 7.2483 7.3877 7.3877 7.3950 7.3950 7.7393 7.7393 7.7672 7.7672 8.3719 8.3719 8.3929 8.3929 9.0647 9.0647 9.1042 9.1042 11.1966 11.1966 11.2424 11.2424 k = 0.5000 0.0329 0.3058 ( 3032 PWs) bands (ev): -2.3741 -2.3741 -2.3738 -2.3738 -0.0263 -0.0263 -0.0208 -0.0208 3.8180 3.8180 3.8502 3.8502 5.9435 5.9435 5.9551 5.9551 6.1119 6.1119 6.1376 6.1376 7.0572 7.0572 7.1018 7.1018 7.2086 7.2086 7.2485 7.2485 7.4228 7.4228 7.4277 7.4277 7.7408 7.7408 7.7677 7.7677 8.3661 8.3661 8.3832 8.3832 9.0922 9.0922 9.1285 9.1285 11.2257 11.2257 11.2719 11.2719 k = 0.5000 0.0438 0.3058 ( 3036 PWs) bands (ev): -2.3688 -2.3688 -2.3685 -2.3685 -0.0283 -0.0283 -0.0228 -0.0228 3.7978 3.7978 3.8290 3.8290 5.9266 5.9266 5.9370 5.9370 6.1330 6.1330 6.1569 6.1569 7.0093 7.0093 7.0522 7.0522 7.2120 7.2120 7.2511 7.2511 7.4569 7.4569 7.4611 7.4611 7.7429 7.7429 7.7684 7.7684 8.3590 8.3590 8.3713 8.3713 9.1292 9.1292 9.1615 9.1615 11.2656 11.2656 11.3123 11.3123 k = 0.5000 0.0548 0.3058 ( 3028 PWs) bands (ev): -2.3620 -2.3620 -2.3617 -2.3617 -0.0309 -0.0309 -0.0255 -0.0255 3.7730 3.7730 3.8031 3.8031 5.9042 5.9042 5.9133 5.9133 6.1584 6.1584 6.1798 6.1798 6.9593 6.9593 7.0022 7.0022 7.2166 7.2166 7.2557 7.2557 7.4886 7.4886 7.4931 7.4931 7.7458 7.7458 7.7694 7.7694 8.3516 8.3516 8.3585 8.3585 9.1745 9.1745 9.2025 9.2025 11.3153 11.3153 11.3627 11.3627 k = 0.5000 0.0657 0.3058 ( 3028 PWs) bands (ev): -2.3537 -2.3537 -2.3534 -2.3534 -0.0342 -0.0342 -0.0289 -0.0289 3.7446 3.7446 3.7733 3.7733 5.8759 5.8759 5.8837 5.8837 6.1872 6.1872 6.2055 6.2055 6.9096 6.9096 6.9538 6.9538 7.2221 7.2221 7.2615 7.2615 7.5172 7.5172 7.5228 7.5228 7.7492 7.7492 7.7706 7.7706 8.3446 8.3446 8.3458 8.3458 9.2273 9.2273 9.2508 9.2508 11.3737 11.3737 11.4219 11.4219 k = 0.5000 0.0767 0.3058 ( 3036 PWs) bands (ev): -2.3441 -2.3441 -2.3438 -2.3438 -0.0382 -0.0382 -0.0330 -0.0330 3.7131 3.7131 3.7405 3.7405 5.8412 5.8412 5.8475 5.8475 6.2183 6.2183 6.2328 6.2328 6.8620 6.8620 6.9084 6.9084 7.2281 7.2281 7.2682 7.2682 7.5426 7.5426 7.5498 7.5498 7.7534 7.7534 7.7719 7.7719 8.3345 8.3345 8.3388 8.3388 9.2866 9.2866 9.3058 9.3058 11.4395 11.4395 11.4888 11.4888 k = 0.5000 0.0876 0.3058 ( 3036 PWs) bands (ev): -2.3330 -2.3330 -2.3327 -2.3327 -0.0430 -0.0430 -0.0379 -0.0379 3.6797 3.6797 3.7056 3.7056 5.7996 5.7996 5.8046 5.8046 6.2506 6.2506 6.2608 6.2608 6.8182 6.8182 6.8674 6.8674 7.2346 7.2346 7.2756 7.2756 7.5647 7.5647 7.5740 7.5740 7.7582 7.7582 7.7735 7.7735 8.3253 8.3253 8.3349 8.3349 9.3518 9.3518 9.3668 9.3668 11.5111 11.5111 11.5617 11.5617 k = 0.5000 0.0986 0.3058 ( 3032 PWs) bands (ev): -2.3206 -2.3206 -2.3203 -2.3203 -0.0487 -0.0487 -0.0437 -0.0437 3.6450 3.6450 3.6695 3.6695 5.7511 5.7511 5.7547 5.7547 6.2830 6.2830 6.2885 6.2885 6.7792 6.7792 6.8317 6.8317 7.2414 7.2414 7.2835 7.2835 7.5838 7.5838 7.5954 7.5954 7.7637 7.7637 7.7753 7.7753 8.3191 8.3191 8.3338 8.3338 9.4224 9.4224 9.4335 9.4335 11.5869 11.5869 11.6391 11.6391 k = 0.5000 0.1096 0.3058 ( 3032 PWs) bands (ev): -2.3070 -2.3070 -2.3067 -2.3067 -0.0553 -0.0553 -0.0504 -0.0504 3.6100 3.6100 3.6330 3.6330 5.6955 5.6955 5.6980 5.6980 6.3144 6.3144 6.3148 6.3148 6.7461 6.7461 6.8020 6.8020 7.2481 7.2481 7.2914 7.2914 7.6001 7.6001 7.6141 7.6141 7.7697 7.7697 7.7772 7.7772 8.3165 8.3165 8.3358 8.3358 9.4979 9.4979 9.5053 9.5053 11.6650 11.6650 11.7190 11.7190 k = 0.5000 0.1205 0.3058 ( 3032 PWs) bands (ev): -2.2920 -2.2920 -2.2917 -2.2917 -0.0629 -0.0629 -0.0581 -0.0581 3.5753 3.5753 3.5969 3.5969 5.6333 5.6333 5.6347 5.6347 6.3391 6.3391 6.3438 6.3438 6.7194 6.7194 6.7787 6.7787 7.2546 7.2546 7.2992 7.2992 7.6137 7.6137 7.6300 7.6300 7.7758 7.7758 7.7791 7.7791 8.3182 8.3182 8.3415 8.3415 9.5780 9.5780 9.5819 9.5819 11.7435 11.7435 11.7995 11.7995 k = 0.5000 0.1315 0.3058 ( 3028 PWs) bands (ev): -2.2759 -2.2759 -2.2756 -2.2756 -0.0715 -0.0715 -0.0668 -0.0668 3.5417 3.5417 3.5619 3.5619 5.5648 5.5648 5.5654 5.5654 6.3607 6.3607 6.3702 6.3702 6.6996 6.6996 6.7620 6.7620 7.2608 7.2608 7.3066 7.3066 7.6249 7.6249 7.6434 7.6434 7.7809 7.7809 7.7821 7.7821 8.3246 8.3246 8.3513 8.3513 9.6624 9.6624 9.6630 9.6630 11.8201 11.8201 11.8784 11.8784 k = 0.5000 0.1424 0.3058 ( 3040 PWs) bands (ev): -2.2588 -2.2588 -2.2585 -2.2585 -0.0813 -0.0813 -0.0767 -0.0767 3.5098 3.5098 3.5287 3.5287 5.4908 5.4908 5.4910 5.4910 6.3789 6.3789 6.3926 6.3926 6.6869 6.6869 6.7515 6.7515 7.2663 7.2663 7.3133 7.3133 7.6340 7.6340 7.6542 7.6542 7.7826 7.7826 7.7878 7.7878 8.3359 8.3359 8.3655 8.3655 9.7482 9.7482 9.7507 9.7507 11.8928 11.8928 11.9534 11.9534 k = 0.5000 0.1534 0.3058 ( 3044 PWs) bands (ev): -2.2406 -2.2406 -2.2403 -2.2403 -0.0921 -0.0921 -0.0877 -0.0877 3.4802 3.4802 3.4978 3.4978 5.4119 5.4119 5.4125 5.4125 6.3939 6.3939 6.4106 6.4106 6.6811 6.6811 6.7466 6.7466 7.2712 7.2712 7.3194 7.3194 7.6413 7.6413 7.6627 7.6627 7.7840 7.7840 7.7930 7.7930 8.3524 8.3524 8.3840 8.3840 9.8373 9.8373 9.8428 9.8428 11.9594 11.9594 12.0223 12.0223 k = 0.5000 0.1643 0.3058 ( 3048 PWs) bands (ev): -2.2215 -2.2215 -2.2212 -2.2212 -0.1040 -0.1040 -0.0998 -0.0998 3.4534 3.4534 3.4698 3.4698 5.3293 5.3293 5.3303 5.3303 6.4057 6.4057 6.4239 6.4239 6.6818 6.6818 6.7466 6.7466 7.2755 7.2755 7.3246 7.3246 7.6471 7.6471 7.6691 7.6691 7.7849 7.7849 7.7974 7.7974 8.3738 8.3738 8.4069 8.4069 9.9300 9.9300 9.9382 9.9382 12.0180 12.0180 12.0830 12.0830 k = 0.5000 0.1753 0.3058 ( 3044 PWs) bands (ev): -2.2016 -2.2016 -2.2013 -2.2013 -0.1171 -0.1171 -0.1131 -0.1131 3.4299 3.4299 3.4452 3.4452 5.2440 5.2440 5.2451 5.2451 6.4148 6.4148 6.4330 6.4330 6.6877 6.6877 6.7505 6.7505 7.2793 7.2793 7.3290 7.3290 7.6514 7.6514 7.6736 7.6736 7.7854 7.7854 7.8008 7.8008 8.3999 8.3999 8.4340 8.4340 10.0259 10.0259 10.0367 10.0367 12.0671 12.0671 12.1337 12.1337 k = 0.5000 0.1862 0.3058 ( 3048 PWs) bands (ev): -2.1810 -2.1810 -2.1807 -2.1807 -0.1313 -0.1313 -0.1274 -0.1274 3.4100 3.4100 3.4242 3.4242 5.1565 5.1565 5.1578 5.1578 6.4215 6.4215 6.4388 6.4388 6.6976 6.6976 6.7572 6.7572 7.2825 7.2825 7.3326 7.3326 7.6545 7.6545 7.6762 7.6762 7.7854 7.7854 7.8033 7.8033 8.4303 8.4303 8.4647 8.4647 10.1246 10.1246 10.1380 10.1380 12.1055 12.1055 12.1733 12.1733 k = 0.5000 0.1972 0.3058 ( 3052 PWs) bands (ev): -2.1599 -2.1599 -2.1596 -2.1596 -0.1465 -0.1465 -0.1428 -0.1428 3.3940 3.3940 3.4072 3.4072 5.0677 5.0677 5.0690 5.0690 6.4265 6.4265 6.4423 6.4423 6.7100 6.7100 6.7659 6.7659 7.2852 7.2852 7.3354 7.3354 7.6564 7.6564 7.6773 7.6773 7.7851 7.7851 7.8047 7.8047 8.4643 8.4643 8.4987 8.4987 10.2257 10.2257 10.2417 10.2417 12.1327 12.1327 12.2012 12.2012 k = 0.5000 0.2082 0.3058 ( 3056 PWs) bands (ev): -2.1383 -2.1383 -2.1380 -2.1380 -0.1626 -0.1626 -0.1591 -0.1591 3.3823 3.3823 3.3945 3.3945 4.9782 4.9782 4.9795 4.9795 6.4302 6.4302 6.4441 6.4441 6.7238 6.7238 6.7756 6.7756 7.2876 7.2876 7.3376 7.3376 7.6575 7.6575 7.6771 7.6771 7.7845 7.7845 7.8054 7.8054 8.5013 8.5013 8.5352 8.5352 10.3289 10.3289 10.3474 10.3474 12.1491 12.1491 12.2177 12.2177 k = 0.5000 0.2191 0.3058 ( 3056 PWs) bands (ev): -2.1166 -2.1166 -2.1163 -2.1163 -0.1795 -0.1795 -0.1763 -0.1763 3.3750 3.3750 3.3863 3.3863 4.8884 4.8884 4.8896 4.8896 6.4330 6.4330 6.4450 6.4450 6.7382 6.7382 6.7859 6.7859 7.2898 7.2898 7.3392 7.3392 7.6577 7.6577 7.6756 7.6756 7.7837 7.7837 7.8051 7.8051 8.5406 8.5406 8.5736 8.5736 10.4338 10.4338 10.4547 10.4547 12.1552 12.1552 12.2238 12.2238 k = 0.5000 0.2301 0.3058 ( 3056 PWs) bands (ev): -2.0947 -2.0947 -2.0944 -2.0944 -0.1970 -0.1970 -0.1940 -0.1940 3.3724 3.3724 3.3828 3.3828 4.7989 4.7989 4.8000 4.8000 6.4352 6.4352 6.4454 6.4454 6.7526 6.7526 6.7963 6.7963 7.2920 7.2920 7.3404 7.3404 7.6571 7.6571 7.6731 7.6731 7.7828 7.7828 7.8043 7.8043 8.5814 8.5814 8.6133 8.6133 10.5396 10.5396 10.5631 10.5631 12.1524 12.1524 12.2207 12.2207 k = 0.5000 0.2410 0.3058 ( 3052 PWs) bands (ev): -2.0731 -2.0731 -2.0728 -2.0728 -0.2150 -0.2150 -0.2122 -0.2122 3.3744 3.3744 3.3839 3.3839 4.7101 4.7101 4.7110 4.7110 6.4369 6.4369 6.4455 6.4455 6.7666 6.7666 6.8063 6.8063 7.2942 7.2942 7.3413 7.3413 7.6559 7.6559 7.6698 7.6698 7.7819 7.7819 7.8029 7.8029 8.6230 8.6230 8.6535 8.6535 10.6460 10.6460 10.6722 10.6722 12.1421 12.1421 12.2102 12.2102 k = 0.5000 0.2520 0.3058 ( 3048 PWs) bands (ev): -2.0517 -2.0517 -2.0515 -2.0515 -0.2332 -0.2332 -0.2306 -0.2306 3.3811 3.3811 3.3899 3.3899 4.6224 4.6224 4.6231 4.6231 6.4383 6.4383 6.4454 6.4454 6.7798 6.7798 6.8158 6.8158 7.2966 7.2966 7.3419 7.3419 7.6540 7.6540 7.6658 7.6658 7.7811 7.7811 7.8013 7.8013 8.6646 8.6646 8.6936 8.6936 10.7523 10.7523 10.7813 10.7813 12.1260 12.1260 12.1942 12.1942 k = 0.5000 0.2629 0.3058 ( 3052 PWs) bands (ev): -2.0310 -2.0310 -2.0307 -2.0307 -0.2513 -0.2513 -0.2489 -0.2489 3.3926 3.3926 3.4006 3.4006 4.5361 4.5361 4.5367 4.5367 6.4394 6.4394 6.4453 6.4453 6.7921 6.7921 6.8245 6.8245 7.2992 7.2992 7.3422 7.3422 7.6516 7.6516 7.6612 7.6612 7.7804 7.7804 7.7993 7.7993 8.7057 8.7057 8.7328 8.7328 10.8577 10.8577 10.8897 10.8897 12.1059 12.1059 12.1746 12.1746 k = 0.5000 0.2739 0.3058 ( 3056 PWs) bands (ev): -2.0111 -2.0111 -2.0109 -2.0109 -0.2690 -0.2690 -0.2669 -0.2669 3.4088 3.4088 3.4161 3.4161 4.4517 4.4517 4.4520 4.4520 6.4404 6.4404 6.4453 6.4453 6.8034 6.8034 6.8323 6.8323 7.3020 7.3020 7.3424 7.3424 7.6489 7.6489 7.6564 7.6564 7.7798 7.7798 7.7972 7.7972 8.7454 8.7454 8.7706 8.7706 10.9614 10.9614 10.9965 10.9965 12.0835 12.0835 12.1532 12.1532 k = 0.5000 0.2849 0.3058 ( 3052 PWs) bands (ev): -1.9923 -1.9923 -1.9921 -1.9921 -0.2861 -0.2861 -0.2843 -0.2843 3.4296 3.4296 3.4362 3.4362 4.3694 4.3694 4.3695 4.3695 6.4413 6.4413 6.4453 6.4453 6.8138 6.8138 6.8393 6.8393 7.3051 7.3051 7.3425 7.3425 7.6458 7.6458 7.6514 7.6514 7.7795 7.7795 7.7952 7.7952 8.7833 8.7833 8.8062 8.8062 11.0623 11.0623 11.1008 11.1008 12.0605 12.0605 12.1318 12.1318 k = 0.5000 0.2958 0.3058 ( 3048 PWs) bands (ev): -1.9748 -1.9748 -1.9746 -1.9746 -0.3022 -0.3022 -0.3006 -0.3006 3.4548 3.4548 3.4608 3.4608 4.2894 4.2894 4.2896 4.2896 6.4420 6.4420 6.4453 6.4453 6.8230 6.8230 6.8452 6.8452 7.3085 7.3085 7.3424 7.3424 7.6426 7.6426 7.6466 7.6466 7.7793 7.7793 7.7932 7.7932 8.8186 8.8186 8.8392 8.8392 11.1592 11.1592 11.2010 11.2010 12.0389 12.0389 12.1122 12.1122 k = 0.5000 0.3068 0.3058 ( 3048 PWs) bands (ev): -1.9590 -1.9590 -1.9588 -1.9588 -0.3171 -0.3171 -0.3157 -0.3157 3.4842 3.4842 3.4896 3.4896 4.2123 4.2123 4.2127 4.2127 6.4427 6.4427 6.4453 6.4453 6.8312 6.8312 6.8501 6.8501 7.3121 7.3121 7.3421 7.3421 7.6394 7.6394 7.6420 7.6420 7.7793 7.7793 7.7912 7.7912 8.8509 8.8509 8.8688 8.8688 11.2504 11.2504 11.2952 11.2952 12.0207 12.0207 12.0957 12.0957 k = 0.5000 0.3177 0.3058 ( 3052 PWs) bands (ev): -1.9451 -1.9451 -1.9449 -1.9449 -0.3302 -0.3302 -0.3291 -0.3291 3.5174 3.5174 3.5222 3.5222 4.1385 4.1385 4.1392 4.1392 6.4432 6.4432 6.4453 6.4453 6.8383 6.8383 6.8540 6.8540 7.3158 7.3158 7.3415 7.3415 7.6362 7.6362 7.6377 7.6377 7.7794 7.7794 7.7893 7.7893 8.8795 8.8795 8.8947 8.8947 11.3341 11.3341 11.3807 11.3807 12.0081 12.0081 12.0838 12.0838 k = 0.5000 0.3287 0.3058 ( 3052 PWs) bands (ev): -1.9333 -1.9333 -1.9331 -1.9331 -0.3415 -0.3415 -0.3405 -0.3405 3.5538 3.5538 3.5580 3.5580 4.0689 4.0689 4.0699 4.0699 6.4437 6.4437 6.4453 6.4453 6.8444 6.8444 6.8569 6.8569 7.3195 7.3195 7.3406 7.3406 7.6333 7.6333 7.6341 7.6341 7.7796 7.7796 7.7876 7.7876 8.9039 8.9039 8.9163 8.9163 11.4080 11.4080 11.4542 11.4542 12.0033 12.0033 12.0770 12.0770 k = 0.5000 0.3396 0.3058 ( 3060 PWs) bands (ev): -1.9238 -1.9238 -1.9237 -1.9237 -0.3505 -0.3505 -0.3498 -0.3498 3.5921 3.5921 3.5957 3.5957 4.0048 4.0048 4.0059 4.0059 6.4441 6.4441 6.4452 6.4452 6.8494 6.8494 6.8588 6.8588 7.3232 7.3232 7.3393 7.3393 7.6308 7.6308 7.6313 7.6313 7.7800 7.7800 7.7860 7.7860 8.9238 8.9238 8.9332 8.9332 11.4699 11.4699 11.5117 11.5117 12.0083 12.0083 12.0745 12.0745 k = 0.5000 0.3506 0.3058 ( 3056 PWs) bands (ev): -1.9169 -1.9169 -1.9168 -1.9168 -0.3571 -0.3571 -0.3566 -0.3566 3.6299 3.6299 3.6328 3.6328 3.9486 3.9486 3.9498 3.9498 6.4444 6.4444 6.4452 6.4452 6.8535 6.8535 6.8597 6.8597 7.3268 7.3268 7.3377 7.3377 7.6288 7.6288 7.6292 7.6292 7.7806 7.7806 7.7846 7.7846 8.9387 8.9387 8.9450 8.9450 11.5180 11.5180 11.5500 11.5500 12.0225 12.0225 12.0738 12.0738 k = 0.5000 0.3615 0.3058 ( 3048 PWs) bands (ev): -1.9127 -1.9127 -1.9126 -1.9126 -0.3611 -0.3611 -0.3608 -0.3608 3.6616 3.6616 3.6633 3.6633 3.9065 3.9065 3.9074 3.9074 6.4447 6.4447 6.4452 6.4452 6.8565 6.8565 6.8597 6.8597 7.3301 7.3301 7.3356 7.3356 7.6275 7.6275 7.6280 7.6280 7.7814 7.7814 7.7834 7.7834 8.9484 8.9484 8.9516 8.9516 11.5510 11.5510 11.5685 11.5685 12.0419 12.0419 12.0702 12.0702 k = 0.5000 0.3725 0.3058 ( 3048 PWs) bands (ev): -1.9113 -1.9113 -1.9112 -1.9112 -0.3624 -0.3624 -0.3623 -0.3623 3.6756 3.6756 3.6756 3.6756 3.8900 3.8900 3.8900 3.8900 6.4448 6.4448 6.4452 6.4452 6.8584 6.8584 6.8588 6.8588 7.3328 7.3328 7.3333 7.3333 7.6271 7.6271 7.6276 7.6276 7.7820 7.7820 7.7826 7.7826 8.9527 8.9527 8.9528 8.9528 11.5681 11.5681 11.5683 11.5683 12.0595 12.0595 12.0597 12.0597 k = 0.5000 0.3725 0.3058 ( 3048 PWs) bands (ev): -1.9113 -1.9113 -1.9112 -1.9112 -0.3624 -0.3624 -0.3623 -0.3623 3.6756 3.6756 3.6756 3.6756 3.8900 3.8900 3.8900 3.8900 6.4448 6.4448 6.4452 6.4452 6.8584 6.8584 6.8588 6.8588 7.3328 7.3328 7.3333 7.3333 7.6271 7.6271 7.6276 7.6276 7.7820 7.7820 7.7826 7.7826 8.9527 8.9527 8.9528 8.9528 11.5681 11.5681 11.5683 11.5683 12.0595 12.0595 12.0597 12.0597 k = 0.4889 0.3725 0.3058 ( 3048 PWs) bands (ev): -1.9124 -1.9124 -1.9123 -1.9123 -0.3648 -0.3648 -0.3648 -0.3648 3.6791 3.6791 3.6792 3.6792 3.8924 3.8924 3.8925 3.8925 6.4447 6.4447 6.4452 6.4452 6.8591 6.8591 6.8595 6.8595 7.3328 7.3328 7.3333 7.3333 7.6282 7.6282 7.6286 7.6286 7.7824 7.7824 7.7830 7.7830 8.9504 8.9504 8.9504 8.9504 11.5645 11.5645 11.5647 11.5647 12.0591 12.0591 12.0593 12.0593 k = 0.4778 0.3725 0.3058 ( 3048 PWs) bands (ev): -1.9158 -1.9158 -1.9157 -1.9157 -0.3722 -0.3722 -0.3722 -0.3722 3.6898 3.6898 3.6898 3.6898 3.8997 3.8997 3.8997 3.8997 6.4447 6.4447 6.4452 6.4452 6.8612 6.8612 6.8617 6.8617 7.3327 7.3327 7.3333 7.3333 7.6314 7.6314 7.6318 7.6318 7.7835 7.7835 7.7841 7.7841 8.9435 8.9435 8.9435 8.9435 11.5540 11.5540 11.5542 11.5542 12.0579 12.0579 12.0581 12.0581 k = 0.4667 0.3725 0.3058 ( 3056 PWs) bands (ev): -1.9213 -1.9213 -1.9213 -1.9213 -0.3844 -0.3844 -0.3843 -0.3843 3.7073 3.7073 3.7073 3.7073 3.9117 3.9117 3.9117 3.9117 6.4447 6.4447 6.4452 6.4452 6.8648 6.8648 6.8652 6.8652 7.3326 7.3326 7.3332 7.3332 7.6366 7.6366 7.6371 7.6371 7.7853 7.7853 7.7859 7.7859 8.9321 8.9321 8.9321 8.9321 11.5371 11.5371 11.5373 11.5373 12.0559 12.0559 12.0561 12.0561 k = 0.4556 0.3725 0.3058 ( 3052 PWs) bands (ev): -1.9290 -1.9290 -1.9290 -1.9290 -0.4012 -0.4012 -0.4011 -0.4011 3.7314 3.7314 3.7314 3.7314 3.9284 3.9284 3.9284 3.9284 6.4449 6.4449 6.4453 6.4453 6.8697 6.8697 6.8701 6.8701 7.3324 7.3324 7.3330 7.3330 7.6441 7.6441 7.6445 7.6445 7.7881 7.7881 7.7887 7.7887 8.9162 8.9162 8.9163 8.9163 11.5148 11.5148 11.5150 11.5150 12.0530 12.0530 12.0532 12.0532 k = 0.4444 0.3725 0.3058 ( 3048 PWs) bands (ev): -1.9388 -1.9388 -1.9387 -1.9387 -0.4223 -0.4223 -0.4222 -0.4222 3.7617 3.7617 3.7618 3.7618 3.9498 3.9498 3.9498 3.9498 6.4454 6.4454 6.4459 6.4459 6.8760 6.8760 6.8764 6.8764 7.3321 7.3321 7.3327 7.3327 7.6537 7.6537 7.6541 7.6541 7.7919 7.7919 7.7925 7.7925 8.8962 8.8962 8.8962 8.8962 11.4881 11.4881 11.4883 11.4883 12.0491 12.0491 12.0493 12.0493 k = 0.4333 0.3725 0.3058 ( 3052 PWs) bands (ev): -1.9506 -1.9506 -1.9505 -1.9505 -0.4475 -0.4475 -0.4474 -0.4474 3.7978 3.7978 3.7979 3.7979 3.9755 3.9755 3.9755 3.9755 6.4465 6.4465 6.4469 6.4469 6.8834 6.8834 6.8838 6.8838 7.3317 7.3317 7.3322 7.3322 7.6653 7.6653 7.6658 7.6658 7.7968 7.7968 7.7973 7.7973 8.8721 8.8721 8.8721 8.8721 11.4580 11.4580 11.4582 11.4582 12.0440 12.0440 12.0442 12.0442 k = 0.4222 0.3725 0.3058 ( 3052 PWs) bands (ev): -1.9643 -1.9643 -1.9642 -1.9642 -0.4764 -0.4764 -0.4763 -0.4763 3.8392 3.8392 3.8392 3.8392 4.0056 4.0056 4.0056 4.0056 6.4483 6.4483 6.4487 6.4487 6.8919 6.8919 6.8923 6.8923 7.3311 7.3311 7.3316 7.3316 7.6791 7.6791 7.6795 7.6795 7.8029 7.8029 7.8034 7.8034 8.8442 8.8442 8.8443 8.8443 11.4255 11.4255 11.4256 11.4256 12.0377 12.0377 12.0379 12.0379 k = 0.4111 0.3725 0.3058 ( 3056 PWs) bands (ev): -1.9798 -1.9798 -1.9797 -1.9797 -0.5087 -0.5087 -0.5086 -0.5086 3.8851 3.8851 3.8851 3.8851 4.0399 4.0399 4.0399 4.0399 6.4512 6.4512 6.4516 6.4516 6.9015 6.9015 6.9019 6.9019 7.3302 7.3302 7.3307 7.3307 7.6947 7.6947 7.6952 7.6952 7.8106 7.8106 7.8111 7.8111 8.8128 8.8128 8.8129 8.8129 11.3912 11.3912 11.3913 11.3913 12.0298 12.0298 12.0300 12.0300 k = 0.4000 0.3725 0.3058 ( 3052 PWs) bands (ev): -1.9969 -1.9969 -1.9968 -1.9968 -0.5440 -0.5440 -0.5439 -0.5439 3.9349 3.9349 3.9349 3.9349 4.0780 4.0780 4.0781 4.0781 6.4555 6.4555 6.4559 6.4559 6.9120 6.9120 6.9123 6.9123 7.3291 7.3291 7.3296 7.3296 7.7121 7.7121 7.7126 7.7126 7.8204 7.8204 7.8209 7.8209 8.7783 8.7783 8.7783 8.7783 11.3558 11.3558 11.3560 11.3560 12.0203 12.0203 12.0205 12.0205 k = 0.3889 0.3725 0.3058 ( 3048 PWs) bands (ev): -2.0156 -2.0156 -2.0155 -2.0155 -0.5819 -0.5819 -0.5818 -0.5818 3.9878 3.9878 3.9879 3.9879 4.1200 4.1200 4.1200 4.1200 6.4615 6.4615 6.4619 6.4619 6.9232 6.9232 6.9236 6.9236 7.3277 7.3277 7.3282 7.3282 7.7308 7.7308 7.7313 7.7313 7.8327 7.8327 7.8332 7.8332 8.7408 8.7408 8.7409 8.7409 11.3200 11.3200 11.3201 11.3201 12.0090 12.0090 12.0092 12.0092 k = 0.3778 0.3725 0.3058 ( 3052 PWs) bands (ev): -2.0356 -2.0356 -2.0355 -2.0355 -0.6220 -0.6220 -0.6219 -0.6219 4.0432 4.0432 4.0433 4.0433 4.1654 4.1654 4.1654 4.1654 6.4696 6.4696 6.4699 6.4699 6.9350 6.9350 6.9353 6.9353 7.3259 7.3259 7.3264 7.3264 7.7502 7.7502 7.7506 7.7506 7.8484 7.8484 7.8489 7.8489 8.7009 8.7009 8.7010 8.7010 11.2840 11.2840 11.2841 11.2841 11.9957 11.9957 11.9959 11.9959 k = 0.3667 0.3725 0.3058 ( 3052 PWs) bands (ev): -2.0569 -2.0569 -2.0568 -2.0568 -0.6639 -0.6639 -0.6639 -0.6639 4.1002 4.1002 4.1003 4.1003 4.2141 4.2141 4.2141 4.2141 6.4801 6.4801 6.4805 6.4805 6.9472 6.9472 6.9476 6.9476 7.3237 7.3237 7.3243 7.3243 7.7696 7.7696 7.7701 7.7701 7.8684 7.8684 7.8688 7.8688 8.6589 8.6589 8.6589 8.6589 11.2481 11.2481 11.2483 11.2483 11.9804 11.9804 11.9806 11.9806 k = 0.3556 0.3725 0.3058 ( 3048 PWs) bands (ev): -2.0793 -2.0793 -2.0792 -2.0792 -0.7074 -0.7074 -0.7073 -0.7073 4.1580 4.1580 4.1581 4.1581 4.2658 4.2658 4.2659 4.2659 6.4936 6.4936 6.4939 6.4939 6.9598 6.9598 6.9601 6.9601 7.3212 7.3212 7.3217 7.3217 7.7886 7.7886 7.7891 7.7891 7.8931 7.8931 7.8935 7.8935 8.6152 8.6152 8.6153 8.6153 11.2127 11.2127 11.2128 11.2128 11.9631 11.9631 11.9633 11.9633 k = 0.3444 0.3725 0.3058 ( 3036 PWs) bands (ev): -2.1026 -2.1026 -2.1025 -2.1025 -0.7520 -0.7520 -0.7520 -0.7520 4.2158 4.2158 4.2159 4.2159 4.3203 4.3203 4.3204 4.3204 6.5103 6.5103 6.5106 6.5106 6.9725 6.9725 6.9728 6.9728 7.3184 7.3184 7.3189 7.3189 7.8072 7.8072 7.8076 7.8076 7.9228 7.9228 7.9231 7.9231 8.5705 8.5705 8.5706 8.5706 11.1778 11.1778 11.1780 11.1780 11.9438 11.9438 11.9440 11.9440 k = 0.3333 0.3725 0.3058 ( 3040 PWs) bands (ev): -2.1267 -2.1267 -2.1266 -2.1266 -0.7975 -0.7975 -0.7974 -0.7974 4.2728 4.2728 4.2729 4.2729 4.3773 4.3773 4.3773 4.3773 6.5305 6.5305 6.5308 6.5308 6.9852 6.9852 6.9854 6.9854 7.3151 7.3151 7.3156 7.3156 7.8255 7.8255 7.8259 7.8259 7.9567 7.9567 7.9570 7.9570 8.5256 8.5256 8.5256 8.5256 11.1436 11.1436 11.1438 11.1438 11.9225 11.9225 11.9227 11.9227 k = 0.3222 0.3725 0.3058 ( 3048 PWs) bands (ev): -2.1514 -2.1514 -2.1513 -2.1513 -0.8435 -0.8435 -0.8434 -0.8434 4.3282 4.3282 4.3283 4.3283 4.4365 4.4365 4.4366 4.4366 6.5545 6.5545 6.5548 6.5548 6.9977 6.9977 6.9979 6.9979 7.3115 7.3115 7.3120 7.3120 7.8440 7.8440 7.8445 7.8445 7.9939 7.9939 7.9942 7.9942 8.4815 8.4815 8.4815 8.4815 11.1103 11.1103 11.1104 11.1104 11.8994 11.8994 11.8996 11.8996 k = 0.3111 0.3725 0.3058 ( 3040 PWs) bands (ev): -2.1766 -2.1766 -2.1765 -2.1765 -0.8898 -0.8898 -0.8897 -0.8897 4.3813 4.3813 4.3814 4.3814 4.4978 4.4978 4.4978 4.4978 6.5825 6.5825 6.5828 6.5828 7.0100 7.0100 7.0102 7.0102 7.3075 7.3075 7.3080 7.3080 7.8636 7.8636 7.8640 7.8640 8.0325 8.0325 8.0328 8.0328 8.4403 8.4403 8.4403 8.4403 11.0777 11.0777 11.0779 11.0779 11.8745 11.8745 11.8747 11.8747 k = 0.3000 0.3725 0.3058 ( 3044 PWs) bands (ev): -2.2022 -2.2022 -2.2021 -2.2021 -0.9361 -0.9361 -0.9360 -0.9360 4.4316 4.4316 4.4317 4.4317 4.5607 4.5607 4.5608 4.5608 6.6144 6.6144 6.6147 6.6147 7.0219 7.0219 7.0221 7.0221 7.3032 7.3032 7.3037 7.3037 7.8843 7.8843 7.8847 7.8847 8.0692 8.0692 8.0695 8.0695 8.4055 8.4055 8.4055 8.4055 11.0460 11.0460 11.0462 11.0462 11.8482 11.8482 11.8484 11.8484 k = 0.2889 0.3725 0.3058 ( 3052 PWs) bands (ev): -2.2280 -2.2280 -2.2279 -2.2279 -0.9822 -0.9822 -0.9821 -0.9821 4.4784 4.4784 4.4785 4.4785 4.6251 4.6251 4.6252 4.6252 6.6501 6.6501 6.6504 6.6504 7.0333 7.0333 7.0335 7.0335 7.2987 7.2987 7.2992 7.2992 7.9063 7.9063 7.9067 7.9067 8.0979 8.0979 8.0982 8.0982 8.3837 8.3837 8.3838 8.3838 11.0152 11.0152 11.0153 11.0153 11.8205 11.8205 11.8207 11.8207 k = 0.2778 0.3725 0.3058 ( 3052 PWs) bands (ev): -2.2538 -2.2538 -2.2537 -2.2537 -1.0278 -1.0278 -1.0277 -1.0277 4.5214 4.5214 4.5215 4.5215 4.6908 4.6908 4.6909 4.6909 6.6893 6.6893 6.6896 6.6896 7.0441 7.0441 7.0444 7.0444 7.2940 7.2940 7.2944 7.2944 7.9290 7.9290 7.9294 7.9294 8.1109 8.1109 8.1113 8.1113 8.3841 8.3841 8.3841 8.3841 10.9852 10.9852 10.9853 10.9853 11.7918 11.7918 11.7920 11.7920 k = 0.2667 0.3725 0.3058 ( 3044 PWs) bands (ev): -2.2796 -2.2796 -2.2795 -2.2795 -1.0728 -1.0728 -1.0727 -1.0727 4.5604 4.5604 4.5605 4.5605 4.7576 4.7576 4.7577 4.7577 6.7315 6.7315 6.7318 6.7318 7.0543 7.0543 7.0546 7.0546 7.2891 7.2891 7.2895 7.2895 7.9502 7.9502 7.9505 7.9505 8.1070 8.1070 8.1074 8.1074 8.4108 8.4108 8.4109 8.4109 10.9560 10.9560 10.9561 10.9561 11.7623 11.7623 11.7625 11.7625 k = 0.2556 0.3725 0.3058 ( 3036 PWs) bands (ev): -2.3052 -2.3052 -2.3051 -2.3051 -1.1170 -1.1170 -1.1169 -1.1169 4.5951 4.5951 4.5952 4.5952 4.8252 4.8252 4.8253 4.8253 6.7758 6.7758 6.7761 6.7761 7.0639 7.0639 7.0641 7.0641 7.2840 7.2840 7.2845 7.2845 7.9624 7.9624 7.9628 7.9628 8.0993 8.0993 8.0996 8.0996 8.4588 8.4588 8.4588 8.4588 10.9275 10.9275 10.9276 10.9276 11.7323 11.7323 11.7325 11.7325 k = 0.2444 0.3725 0.3058 ( 3032 PWs) bands (ev): -2.3305 -2.3305 -2.3304 -2.3304 -1.1602 -1.1602 -1.1601 -1.1601 4.6255 4.6255 4.6257 4.6257 4.8934 4.8934 4.8935 4.8935 6.8212 6.8212 6.8215 6.8215 7.0727 7.0727 7.0729 7.0729 7.2790 7.2790 7.2795 7.2795 7.9540 7.9540 7.9543 7.9543 8.1075 8.1075 8.1079 8.1079 8.5205 8.5205 8.5206 8.5206 10.8997 10.8997 10.8999 10.8999 11.7021 11.7021 11.7023 11.7023 k = 0.2333 0.3725 0.3058 ( 3032 PWs) bands (ev): -2.3553 -2.3553 -2.3553 -2.3553 -1.2023 -1.2023 -1.2022 -1.2022 4.6518 4.6518 4.6520 4.6520 4.9621 4.9621 4.9622 4.9622 6.8664 6.8664 6.8668 6.8668 7.0809 7.0809 7.0811 7.0811 7.2739 7.2739 7.2744 7.2744 7.9246 7.9246 7.9249 7.9249 8.1376 8.1376 8.1380 8.1380 8.5913 8.5913 8.5913 8.5913 10.8725 10.8725 10.8727 10.8727 11.6720 11.6720 11.6722 11.6722 k = 0.2222 0.3725 0.3058 ( 3028 PWs) bands (ev): -2.3797 -2.3797 -2.3796 -2.3796 -1.2432 -1.2432 -1.2431 -1.2431 4.6742 4.6742 4.6744 4.6744 5.0310 5.0310 5.0311 5.0311 6.9101 6.9101 6.9105 6.9105 7.0887 7.0887 7.0889 7.0889 7.2689 7.2689 7.2693 7.2693 7.8844 7.8844 7.8847 7.8847 8.1826 8.1826 8.1830 8.1830 8.6685 8.6685 8.6685 8.6685 10.8459 10.8459 10.8460 10.8460 11.6423 11.6423 11.6425 11.6425 k = 0.2111 0.3725 0.3058 ( 3032 PWs) bands (ev): -2.4035 -2.4035 -2.4034 -2.4034 -1.2826 -1.2826 -1.2825 -1.2825 4.6929 4.6929 4.6931 4.6931 5.1001 5.1001 5.1002 5.1002 6.9503 6.9503 6.9507 6.9507 7.0966 7.0966 7.0968 7.0968 7.2640 7.2640 7.2645 7.2645 7.8398 7.8398 7.8401 7.8401 8.2381 8.2381 8.2385 8.2385 8.7506 8.7506 8.7506 8.7506 10.8196 10.8196 10.8197 10.8197 11.6133 11.6133 11.6135 11.6135 k = 0.2000 0.3725 0.3058 ( 3032 PWs) bands (ev): -2.4265 -2.4265 -2.4264 -2.4264 -1.3206 -1.3206 -1.3205 -1.3205 4.7083 4.7083 4.7084 4.7084 5.1692 5.1692 5.1693 5.1693 6.9848 6.9848 6.9851 6.9851 7.1055 7.1055 7.1057 7.1057 7.2595 7.2595 7.2600 7.2600 7.7939 7.7939 7.7942 7.7942 8.3024 8.3024 8.3028 8.3028 8.8365 8.8365 8.8365 8.8365 10.7936 10.7936 10.7937 10.7937 11.5854 11.5854 11.5856 11.5856 k = 0.1889 0.3725 0.3058 ( 3028 PWs) bands (ev): -2.4488 -2.4488 -2.4487 -2.4487 -1.3570 -1.3570 -1.3569 -1.3569 4.7206 4.7206 4.7208 4.7208 5.2381 5.2381 5.2382 5.2382 7.0107 7.0107 7.0111 7.0111 7.1168 7.1168 7.1171 7.1171 7.2557 7.2557 7.2561 7.2561 7.7485 7.7485 7.7488 7.7488 8.3747 8.3747 8.3750 8.3750 8.9254 8.9254 8.9254 8.9254 10.7677 10.7677 10.7679 10.7679 11.5588 11.5588 11.5590 11.5590 k = 0.1778 0.3725 0.3058 ( 3020 PWs) bands (ev): -2.4702 -2.4702 -2.4701 -2.4701 -1.3918 -1.3918 -1.3917 -1.3917 4.7303 4.7303 4.7305 4.7305 5.3068 5.3068 5.3069 5.3069 7.0261 7.0261 7.0264 7.0264 7.1312 7.1312 7.1315 7.1315 7.2530 7.2530 7.2535 7.2535 7.7048 7.7048 7.7051 7.7051 8.4544 8.4544 8.4547 8.4547 9.0165 9.0165 9.0166 9.0166 10.7418 10.7418 10.7420 10.7420 11.5339 11.5339 11.5341 11.5341 k = 0.1667 0.3725 0.3058 ( 3020 PWs) bands (ev): -2.4906 -2.4906 -2.4905 -2.4905 -1.4247 -1.4247 -1.4246 -1.4246 4.7377 4.7377 4.7379 4.7379 5.3751 5.3751 5.3752 5.3752 7.0310 7.0310 7.0313 7.0313 7.1465 7.1465 7.1469 7.1469 7.2523 7.2523 7.2528 7.2528 7.6637 7.6637 7.6641 7.6641 8.5408 8.5408 8.5411 8.5411 9.1091 9.1091 9.1092 9.1092 10.7157 10.7157 10.7159 10.7159 11.5111 11.5111 11.5112 11.5112 k = 0.1556 0.3725 0.3058 ( 3008 PWs) bands (ev): -2.5100 -2.5100 -2.5099 -2.5099 -1.4559 -1.4559 -1.4558 -1.4558 4.7432 4.7432 4.7434 4.7434 5.4429 5.4429 5.4430 5.4430 7.0275 7.0275 7.0278 7.0278 7.1595 7.1595 7.1599 7.1599 7.2548 7.2548 7.2553 7.2553 7.6261 7.6261 7.6265 7.6265 8.6332 8.6332 8.6335 8.6335 9.2024 9.2024 9.2025 9.2025 10.6893 10.6893 10.6894 10.6894 11.4905 11.4905 11.4907 11.4907 k = 0.1444 0.3725 0.3058 ( 3012 PWs) bands (ev): -2.5284 -2.5284 -2.5283 -2.5283 -1.4851 -1.4851 -1.4850 -1.4850 4.7470 4.7470 4.7472 4.7472 5.5101 5.5101 5.5102 5.5102 7.0167 7.0167 7.0169 7.0169 7.1676 7.1676 7.1680 7.1680 7.2610 7.2610 7.2615 7.2615 7.5928 7.5928 7.5932 7.5932 8.7306 8.7306 8.7309 8.7309 9.2955 9.2955 9.2956 9.2956 10.6622 10.6622 10.6623 10.6623 11.4726 11.4726 11.4728 11.4728 k = 0.1333 0.3725 0.3058 ( 3016 PWs) bands (ev): -2.5456 -2.5456 -2.5455 -2.5455 -1.5124 -1.5124 -1.5123 -1.5123 4.7494 4.7494 4.7496 4.7496 5.5766 5.5766 5.5768 5.5768 6.9993 6.9993 6.9995 6.9995 7.1706 7.1706 7.1711 7.1711 7.2703 7.2703 7.2708 7.2708 7.5642 7.5642 7.5647 7.5647 8.8322 8.8322 8.8325 8.8325 9.3875 9.3875 9.3875 9.3875 10.6342 10.6342 10.6344 10.6344 11.4577 11.4577 11.4578 11.4578 k = 0.1222 0.3725 0.3058 ( 3016 PWs) bands (ev): -2.5616 -2.5616 -2.5615 -2.5615 -1.5377 -1.5377 -1.5376 -1.5376 4.7507 4.7507 4.7509 4.7509 5.6424 5.6424 5.6426 5.6426 6.9759 6.9759 6.9761 6.9761 7.1703 7.1703 7.1708 7.1708 7.2809 7.2809 7.2814 7.2814 7.5407 7.5407 7.5411 7.5411 8.9367 8.9367 8.9370 8.9370 9.4773 9.4773 9.4773 9.4773 10.6052 10.6052 10.6053 10.6053 11.4459 11.4459 11.4460 11.4460 k = 0.1111 0.3725 0.3058 ( 3016 PWs) bands (ev): -2.5764 -2.5764 -2.5763 -2.5763 -1.5610 -1.5610 -1.5609 -1.5609 4.7512 4.7512 4.7514 4.7514 5.7073 5.7073 5.7074 5.7074 6.9468 6.9468 6.9470 6.9470 7.1681 7.1681 7.1686 7.1686 7.2914 7.2914 7.2919 7.2919 7.5220 7.5220 7.5224 7.5224 9.0432 9.0432 9.0435 9.0435 9.5638 9.5638 9.5638 9.5638 10.5747 10.5747 10.5748 10.5748 11.4374 11.4374 11.4376 11.4376 k = 0.1000 0.3725 0.3058 ( 3008 PWs) bands (ev): -2.5899 -2.5899 -2.5898 -2.5898 -1.5821 -1.5821 -1.5820 -1.5820 4.7511 4.7511 4.7513 4.7513 5.7711 5.7711 5.7712 5.7712 6.9128 6.9128 6.9130 6.9130 7.1651 7.1651 7.1656 7.1656 7.3009 7.3009 7.3014 7.3014 7.5076 7.5076 7.5081 7.5081 9.1505 9.1505 9.1508 9.1508 9.6458 9.6458 9.6459 9.6459 10.5426 10.5426 10.5427 10.5427 11.4325 11.4325 11.4327 11.4327 k = 0.0889 0.3725 0.3058 ( 3008 PWs) bands (ev): -2.6020 -2.6020 -2.6019 -2.6019 -1.6011 -1.6011 -1.6010 -1.6010 4.7505 4.7505 4.7507 4.7507 5.8335 5.8335 5.8337 5.8337 6.8748 6.8748 6.8750 6.8750 7.1620 7.1620 7.1625 7.1625 7.3091 7.3091 7.3096 7.3096 7.4971 7.4971 7.4975 7.4975 9.2575 9.2575 9.2577 9.2577 9.7222 9.7222 9.7223 9.7223 10.5085 10.5085 10.5086 10.5086 11.4309 11.4309 11.4311 11.4311 k = 0.0778 0.3725 0.3058 ( 3004 PWs) bands (ev): -2.6128 -2.6128 -2.6128 -2.6128 -1.6180 -1.6180 -1.6179 -1.6179 4.7496 4.7496 4.7498 4.7498 5.8944 5.8944 5.8946 5.8946 6.8337 6.8337 6.8339 6.8339 7.1590 7.1590 7.1595 7.1595 7.3160 7.3160 7.3164 7.3164 7.4896 7.4896 7.4900 7.4900 9.3629 9.3629 9.3632 9.3632 9.7917 9.7917 9.7918 9.7918 10.4722 10.4722 10.4724 10.4724 11.4326 11.4326 11.4327 11.4327 k = 0.0667 0.3725 0.3058 ( 3000 PWs) bands (ev): -2.6223 -2.6223 -2.6222 -2.6222 -1.6326 -1.6326 -1.6325 -1.6325 4.7486 4.7486 4.7488 4.7488 5.9531 5.9531 5.9534 5.9534 6.7908 6.7908 6.7910 6.7910 7.1563 7.1563 7.1568 7.1568 7.3215 7.3215 7.3219 7.3219 7.4845 7.4845 7.4849 7.4849 9.4658 9.4658 9.4661 9.4661 9.8531 9.8531 9.8531 9.8531 10.4337 10.4337 10.4338 10.4338 11.4369 11.4369 11.4371 11.4371 k = 0.0556 0.3725 0.3058 ( 3004 PWs) bands (ev): -2.6303 -2.6303 -2.6302 -2.6302 -1.6451 -1.6451 -1.6450 -1.6450 4.7475 4.7475 4.7477 4.7477 6.0091 6.0091 6.0093 6.0093 6.7474 6.7474 6.7475 6.7475 7.1539 7.1539 7.1544 7.1544 7.3258 7.3258 7.3262 7.3262 7.4811 7.4811 7.4815 7.4815 9.5649 9.5649 9.5651 9.5651 9.9050 9.9050 9.9051 9.9051 10.3931 10.3931 10.3932 10.3932 11.4433 11.4433 11.4435 11.4435 k = 0.0444 0.3725 0.3058 ( 3012 PWs) bands (ev): -2.6369 -2.6369 -2.6368 -2.6368 -1.6553 -1.6553 -1.6552 -1.6552 4.7465 4.7465 4.7467 4.7467 6.0611 6.0611 6.0614 6.0614 6.7049 6.7049 6.7050 6.7050 7.1518 7.1518 7.1523 7.1523 7.3292 7.3292 7.3296 7.3296 7.4789 7.4789 7.4793 7.4793 9.6589 9.6589 9.6591 9.6591 9.9462 9.9462 9.9463 9.9463 10.3511 10.3511 10.3512 10.3512 11.4507 11.4507 11.4509 11.4509 k = 0.0333 0.3725 0.3058 ( 3012 PWs) bands (ev): -2.6421 -2.6421 -2.6420 -2.6420 -1.6632 -1.6632 -1.6631 -1.6631 4.7456 4.7456 4.7458 4.7458 6.1075 6.1075 6.1078 6.1078 6.6656 6.6656 6.6657 6.6657 7.1503 7.1503 7.1508 7.1508 7.3316 7.3316 7.3320 7.3320 7.4776 7.4776 7.4780 7.4780 9.7462 9.7462 9.7464 9.7464 9.9747 9.9747 9.9748 9.9748 10.3094 10.3094 10.3096 10.3096 11.4582 11.4582 11.4583 11.4583 k = 0.0222 0.3725 0.3058 ( 3016 PWs) bands (ev): -2.6458 -2.6458 -2.6457 -2.6457 -1.6689 -1.6689 -1.6688 -1.6688 4.7449 4.7449 4.7451 4.7451 6.1455 6.1455 6.1459 6.1459 6.6325 6.6325 6.6325 6.6325 7.1492 7.1492 7.1497 7.1497 7.3333 7.3333 7.3337 7.3337 7.4769 7.4769 7.4772 7.4772 9.8246 9.8246 9.8249 9.8249 9.9877 9.9877 9.9878 9.9878 10.2718 10.2718 10.2720 10.2720 11.4645 11.4645 11.4647 11.4647 k = 0.0111 0.3725 0.3058 ( 3020 PWs) bands (ev): -2.6480 -2.6480 -2.6479 -2.6479 -1.6724 -1.6724 -1.6723 -1.6723 4.7445 4.7445 4.7447 4.7447 6.1712 6.1712 6.1716 6.1716 6.6097 6.6097 6.6097 6.6097 7.1485 7.1485 7.1490 7.1490 7.3343 7.3343 7.3346 7.3346 7.4764 7.4764 7.4767 7.4767 9.8903 9.8903 9.8905 9.8905 9.9821 9.9821 9.9822 9.9822 10.2446 10.2446 10.2447 10.2447 11.4687 11.4687 11.4689 11.4689 k = 0.0000 0.3725 0.3058 ( 3016 PWs) bands (ev): -2.6487 -2.6487 -2.6486 -2.6486 -1.6735 -1.6735 -1.6734 -1.6734 4.7444 4.7444 4.7446 4.7446 6.1804 6.1804 6.1808 6.1808 6.6014 6.6014 6.6015 6.6015 7.1483 7.1483 7.1488 7.1488 7.3346 7.3346 7.3350 7.3350 7.4763 7.4763 7.4767 7.4767 9.9266 9.9266 9.9269 9.9269 9.9668 9.9668 9.9669 9.9669 10.2345 10.2345 10.2346 10.2346 11.4702 11.4702 11.4704 11.4704 k = 0.0000 0.3725 0.3058 ( 3016 PWs) bands (ev): -2.6487 -2.6487 -2.6486 -2.6486 -1.6735 -1.6735 -1.6734 -1.6734 4.7444 4.7444 4.7446 4.7446 6.1804 6.1804 6.1808 6.1808 6.6014 6.6014 6.6015 6.6015 7.1483 7.1483 7.1488 7.1488 7.3346 7.3346 7.3350 7.3350 7.4763 7.4763 7.4767 7.4767 9.9266 9.9266 9.9269 9.9269 9.9668 9.9668 9.9669 9.9669 10.2345 10.2345 10.2346 10.2346 11.4702 11.4702 11.4704 11.4704 k = 0.0000 0.3615 0.3058 ( 3022 PWs) bands (ev): -2.6544 -2.6544 -2.6543 -2.6543 -1.6660 -1.6660 -1.6659 -1.6659 4.7430 4.7430 4.7432 4.7432 6.1808 6.1808 6.1812 6.1812 6.6007 6.6007 6.6007 6.6007 7.1499 7.1499 7.1504 7.1504 7.3348 7.3348 7.3352 7.3352 7.4761 7.4761 7.4764 7.4764 9.8830 9.8830 9.8832 9.8832 10.0014 10.0014 10.0015 10.0015 10.2320 10.2320 10.2321 10.2321 11.4769 11.4769 11.4771 11.4771 k = 0.0000 0.3506 0.3058 ( 3022 PWs) bands (ev): -2.6707 -2.6707 -2.6707 -2.6707 -1.6442 -1.6442 -1.6441 -1.6441 4.7391 4.7391 4.7393 4.7393 6.1822 6.1822 6.1825 6.1825 6.5984 6.5984 6.5984 6.5984 7.1546 7.1546 7.1551 7.1551 7.3354 7.3354 7.3358 7.3358 7.4755 7.4755 7.4758 7.4758 9.8166 9.8166 9.8167 9.8167 10.0395 10.0395 10.0397 10.0397 10.2265 10.2265 10.2266 10.2266 11.4964 11.4964 11.4966 11.4966 k = 0.0000 0.3396 0.3058 ( 3022 PWs) bands (ev): -2.6965 -2.6965 -2.6964 -2.6964 -1.6094 -1.6094 -1.6093 -1.6093 4.7326 4.7326 4.7327 4.7327 6.1844 6.1844 6.1847 6.1847 6.5946 6.5946 6.5947 6.5947 7.1619 7.1619 7.1624 7.1624 7.3367 7.3367 7.3370 7.3370 7.4747 7.4747 7.4750 7.4750 9.7417 9.7417 9.7418 9.7418 10.0624 10.0624 10.0625 10.0625 10.2238 10.2238 10.2239 10.2239 11.5280 11.5280 11.5282 11.5282 k = 0.0000 0.3287 0.3058 ( 3018 PWs) bands (ev): -2.7298 -2.7298 -2.7298 -2.7298 -1.5635 -1.5635 -1.5634 -1.5634 4.7236 4.7236 4.7238 4.7238 6.1875 6.1875 6.1879 6.1879 6.5894 6.5894 6.5894 6.5894 7.1711 7.1711 7.1716 7.1716 7.3391 7.3391 7.3394 7.3394 7.4736 7.4736 7.4739 7.4739 9.6597 9.6597 9.6598 9.6598 10.0634 10.0634 10.0635 10.0635 10.2314 10.2314 10.2315 10.2315 11.5702 11.5702 11.5704 11.5704 k = 0.0000 0.3177 0.3058 ( 3026 PWs) bands (ev): -2.7689 -2.7689 -2.7688 -2.7688 -1.5084 -1.5084 -1.5083 -1.5083 4.7123 4.7123 4.7124 4.7124 6.1914 6.1914 6.1918 6.1918 6.5827 6.5827 6.5828 6.5828 7.1809 7.1809 7.1813 7.1813 7.3431 7.3431 7.3434 7.3434 7.4725 7.4725 7.4729 7.4729 9.5713 9.5713 9.5715 9.5715 10.0435 10.0435 10.0436 10.0436 10.2501 10.2501 10.2503 10.2503 11.6216 11.6216 11.6218 11.6218 k = 0.0000 0.3068 0.3058 ( 3022 PWs) bands (ev): -2.8120 -2.8120 -2.8119 -2.8119 -1.4457 -1.4457 -1.4456 -1.4456 4.6988 4.6988 4.6990 4.6990 6.1963 6.1963 6.1967 6.1967 6.5747 6.5747 6.5748 6.5748 7.1899 7.1899 7.1903 7.1903 7.3495 7.3495 7.3498 7.3498 7.4721 7.4721 7.4724 7.4724 9.4775 9.4775 9.4776 9.4776 10.0100 10.0100 10.0101 10.0101 10.2748 10.2748 10.2749 10.2749 11.6808 11.6808 11.6810 11.6810 k = 0.0000 0.2958 0.3058 ( 3018 PWs) bands (ev): -2.8577 -2.8577 -2.8576 -2.8576 -1.3770 -1.3770 -1.3769 -1.3769 4.6835 4.6835 4.6836 4.6836 6.2020 6.2020 6.2024 6.2024 6.5652 6.5652 6.5653 6.5653 7.1967 7.1967 7.1971 7.1971 7.3582 7.3582 7.3585 7.3585 7.4730 7.4730 7.4733 7.4733 9.3791 9.3791 9.3793 9.3793 9.9685 9.9685 9.9687 9.9687 10.3015 10.3015 10.3017 10.3017 11.7464 11.7464 11.7466 11.7466 k = 0.0000 0.2849 0.3058 ( 3030 PWs) bands (ev): -2.9050 -2.9050 -2.9049 -2.9049 -1.3034 -1.3034 -1.3033 -1.3033 4.6663 4.6663 4.6664 4.6664 6.2084 6.2084 6.2088 6.2088 6.5542 6.5542 6.5543 6.5543 7.2003 7.2003 7.2007 7.2007 7.3684 7.3684 7.3687 7.3687 7.4766 7.4766 7.4769 7.4769 9.2772 9.2772 9.2773 9.2773 9.9225 9.9225 9.9226 9.9226 10.3287 10.3287 10.3289 10.3289 11.8172 11.8172 11.8174 11.8174 k = 0.0000 0.2739 0.3058 ( 3030 PWs) bands (ev): -2.9531 -2.9531 -2.9530 -2.9530 -1.2258 -1.2258 -1.2257 -1.2257 4.6476 4.6476 4.6477 4.6477 6.2157 6.2157 6.2160 6.2160 6.5416 6.5416 6.5417 6.5417 7.2004 7.2004 7.2008 7.2008 7.3779 7.3779 7.3782 7.3782 7.4851 7.4851 7.4854 7.4854 9.1728 9.1728 9.1729 9.1729 9.8739 9.8739 9.8740 9.8740 10.3559 10.3559 10.3561 10.3561 11.8923 11.8923 11.8925 11.8925 k = 0.0000 0.2629 0.3058 ( 3022 PWs) bands (ev): -3.0013 -3.0013 -3.0012 -3.0012 -1.1450 -1.1450 -1.1449 -1.1449 4.6276 4.6276 4.6277 4.6277 6.2237 6.2237 6.2241 6.2241 6.5272 6.5272 6.5274 6.5274 7.1972 7.1972 7.1976 7.1976 7.3842 7.3842 7.3845 7.3845 7.5006 7.5006 7.5008 7.5008 9.0672 9.0672 9.0673 9.0673 9.8239 9.8239 9.8240 9.8240 10.3831 10.3831 10.3833 10.3833 11.9709 11.9709 11.9711 11.9711 k = 0.0000 0.2520 0.3058 ( 3026 PWs) bands (ev): -3.0490 -3.0490 -3.0489 -3.0489 -1.0616 -1.0616 -1.0616 -1.0616 4.6064 4.6064 4.6066 4.6066 6.2324 6.2324 6.2328 6.2328 6.5108 6.5108 6.5110 6.5110 7.1910 7.1910 7.1913 7.1913 7.3860 7.3860 7.3863 7.3863 7.5231 7.5231 7.5234 7.5234 8.9616 8.9616 8.9617 8.9617 9.7735 9.7735 9.7735 9.7735 10.4103 10.4103 10.4105 10.4105 12.0522 12.0522 12.0523 12.0523 k = 0.0000 0.2410 0.3058 ( 3026 PWs) bands (ev): -3.0960 -3.0960 -3.0959 -3.0959 -0.9763 -0.9763 -0.9762 -0.9762 4.5844 4.5844 4.5845 4.5845 6.2418 6.2418 6.2421 6.2421 6.4921 6.4921 6.4923 6.4923 7.1823 7.1823 7.1826 7.1826 7.3838 7.3838 7.3841 7.3841 7.5514 7.5514 7.5516 7.5516 8.8573 8.8573 8.8574 8.8574 9.7231 9.7231 9.7232 9.7232 10.4379 10.4379 10.4381 10.4381 12.1355 12.1355 12.1357 12.1357 k = 0.0000 0.2301 0.3058 ( 3026 PWs) bands (ev): -3.1419 -3.1419 -3.1418 -3.1418 -0.8894 -0.8894 -0.8893 -0.8893 4.5617 4.5617 4.5618 4.5618 6.2517 6.2517 6.2521 6.2521 6.4708 6.4708 6.4710 6.4710 7.1716 7.1716 7.1719 7.1719 7.3786 7.3786 7.3790 7.3790 7.5835 7.5835 7.5838 7.5838 8.7555 8.7555 8.7557 8.7557 9.6735 9.6735 9.6736 9.6736 10.4661 10.4661 10.4662 10.4662 12.2203 12.2203 12.2205 12.2205 k = 0.0000 0.2191 0.3058 ( 3026 PWs) bands (ev): -3.1865 -3.1865 -3.1864 -3.1864 -0.8014 -0.8014 -0.8013 -0.8013 4.5384 4.5384 4.5386 4.5386 6.2621 6.2621 6.2625 6.2625 6.4467 6.4467 6.4469 6.4469 7.1591 7.1591 7.1595 7.1595 7.3714 7.3714 7.3718 7.3718 7.6179 7.6179 7.6181 7.6181 8.6576 8.6576 8.6577 8.6577 9.6249 9.6249 9.6249 9.6249 10.4949 10.4949 10.4951 10.4951 12.3062 12.3062 12.3064 12.3064 k = 0.0000 0.2082 0.3058 ( 3022 PWs) bands (ev): -3.2295 -3.2295 -3.2294 -3.2294 -0.7126 -0.7126 -0.7126 -0.7126 4.5149 4.5149 4.5150 4.5150 6.2727 6.2727 6.2731 6.2731 6.4197 6.4197 6.4198 6.4198 7.1454 7.1454 7.1457 7.1457 7.3627 7.3627 7.3631 7.3631 7.6532 7.6532 7.6534 7.6534 8.5647 8.5647 8.5649 8.5649 9.5776 9.5776 9.5776 9.5776 10.5247 10.5247 10.5249 10.5249 12.3925 12.3925 12.3927 12.3927 k = 0.0000 0.1972 0.3058 ( 3028 PWs) bands (ev): -3.2709 -3.2709 -3.2708 -3.2708 -0.6237 -0.6237 -0.6236 -0.6236 4.4912 4.4912 4.4913 4.4913 6.2829 6.2829 6.2832 6.2832 6.3897 6.3897 6.3898 6.3898 7.1306 7.1306 7.1309 7.1309 7.3527 7.3527 7.3531 7.3531 7.6882 7.6882 7.6884 7.6884 8.4782 8.4782 8.4784 8.4784 9.5319 9.5319 9.5319 9.5319 10.5555 10.5555 10.5557 10.5557 12.4788 12.4788 12.4790 12.4790 k = 0.0000 0.1862 0.3058 ( 3024 PWs) bands (ev): -3.3104 -3.3104 -3.3104 -3.3104 -0.5348 -0.5348 -0.5348 -0.5348 4.4675 4.4675 4.4675 4.4675 6.2908 6.2908 6.2911 6.2911 6.3587 6.3587 6.3588 6.3588 7.1151 7.1151 7.1154 7.1154 7.3420 7.3420 7.3424 7.3424 7.7219 7.7219 7.7222 7.7222 8.3993 8.3993 8.3994 8.3994 9.4880 9.4880 9.4881 9.4881 10.5875 10.5875 10.5877 10.5877 12.5646 12.5646 12.5648 12.5648 k = 0.0000 0.1753 0.3058 ( 3028 PWs) bands (ev): -3.3481 -3.3481 -3.3480 -3.3480 -0.4465 -0.4465 -0.4465 -0.4465 4.4439 4.4439 4.4439 4.4439 6.2865 6.2865 6.2866 6.2866 6.3361 6.3361 6.3363 6.3363 7.0993 7.0993 7.0996 7.0996 7.3304 7.3304 7.3308 7.3308 7.7532 7.7532 7.7534 7.7534 8.3291 8.3291 8.3293 8.3293 9.4461 9.4461 9.4461 9.4461 10.6206 10.6206 10.6208 10.6208 12.6494 12.6494 12.6496 12.6496 k = 0.0000 0.1643 0.3058 ( 3032 PWs) bands (ev): -3.3838 -3.3838 -3.3837 -3.3837 -0.3592 -0.3592 -0.3592 -0.3592 4.4205 4.4205 4.4206 4.4206 6.2562 6.2562 6.2563 6.2563 6.3358 6.3358 6.3362 6.3362 7.0836 7.0836 7.0838 7.0838 7.3182 7.3182 7.3185 7.3185 7.7805 7.7805 7.7807 7.7807 8.2691 8.2691 8.2693 8.2693 9.4063 9.4063 9.4063 9.4063 10.6548 10.6548 10.6550 10.6550 12.7327 12.7327 12.7329 12.7329 k = 0.0000 0.1534 0.3058 ( 3028 PWs) bands (ev): -3.4174 -3.4174 -3.4173 -3.4173 -0.2734 -0.2734 -0.2734 -0.2734 4.3976 4.3976 4.3977 4.3977 6.2126 6.2126 6.2127 6.2127 6.3454 6.3454 6.3457 6.3457 7.0682 7.0682 7.0685 7.0685 7.3056 7.3056 7.3060 7.3060 7.8023 7.8023 7.8025 7.8025 8.2207 8.2207 8.2209 8.2209 9.3687 9.3687 9.3687 9.3687 10.6901 10.6901 10.6903 10.6903 12.8139 12.8139 12.8140 12.8140 k = 0.0000 0.1424 0.3058 ( 3026 PWs) bands (ev): -3.4489 -3.4489 -3.4488 -3.4488 -0.1895 -0.1895 -0.1895 -0.1895 4.3752 4.3752 4.3752 4.3752 6.1636 6.1636 6.1637 6.1637 6.3572 6.3572 6.3576 6.3576 7.0536 7.0536 7.0539 7.0539 7.2927 7.2927 7.2931 7.2931 7.8167 7.8167 7.8169 7.8169 8.1852 8.1852 8.1853 8.1853 9.3335 9.3335 9.3335 9.3335 10.7263 10.7263 10.7264 10.7264 12.8920 12.8920 12.8922 12.8922 k = 0.0000 0.1315 0.3058 ( 3024 PWs) bands (ev): -3.4782 -3.4782 -3.4781 -3.4781 -0.1082 -0.1082 -0.1081 -0.1081 4.3534 4.3534 4.3535 4.3535 6.1115 6.1115 6.1116 6.1116 6.3698 6.3698 6.3701 6.3701 7.0398 7.0398 7.0401 7.0401 7.2797 7.2797 7.2801 7.2801 7.8226 7.8226 7.8229 7.8229 8.1632 8.1632 8.1633 8.1633 9.3006 9.3006 9.3006 9.3006 10.7631 10.7631 10.7633 10.7633 12.9662 12.9662 12.9664 12.9664 k = 0.0000 0.1205 0.3058 ( 3024 PWs) bands (ev): -3.5053 -3.5053 -3.5052 -3.5052 -0.0298 -0.0298 -0.0298 -0.0298 4.3324 4.3324 4.3324 4.3324 6.0575 6.0575 6.0576 6.0576 6.3825 6.3825 6.3829 6.3829 7.0273 7.0273 7.0276 7.0276 7.2667 7.2667 7.2671 7.2671 7.8201 7.8201 7.8205 7.8205 8.1538 8.1538 8.1540 8.1540 9.2702 9.2702 9.2702 9.2702 10.8004 10.8004 10.8005 10.8005 13.0343 13.0343 13.0345 13.0345 k = 0.0000 0.1096 0.3058 ( 3020 PWs) bands (ev): -3.5302 -3.5302 -3.5301 -3.5301 0.0449 0.0449 0.0449 0.0449 4.3123 4.3123 4.3123 4.3123 6.0029 6.0029 6.0030 6.0030 6.3951 6.3951 6.3955 6.3955 7.0159 7.0159 7.0162 7.0162 7.2539 7.2539 7.2543 7.2543 7.8113 7.8113 7.8117 7.8117 8.1546 8.1546 8.1548 8.1548 9.2423 9.2423 9.2424 9.2424 10.8376 10.8376 10.8378 10.8378 13.0917 13.0917 13.0919 13.0919 k = 0.0000 0.0986 0.3058 ( 3024 PWs) bands (ev): -3.5528 -3.5528 -3.5527 -3.5527 0.1153 0.1153 0.1153 0.1153 4.2932 4.2932 4.2932 4.2932 5.9489 5.9489 5.9490 5.9490 6.4073 6.4073 6.4077 6.4077 7.0057 7.0057 7.0060 7.0060 7.2415 7.2415 7.2419 7.2419 7.7987 7.7987 7.7991 7.7991 8.1621 8.1621 8.1623 8.1623 9.2170 9.2170 9.2171 9.2171 10.8744 10.8744 10.8745 10.8745 13.1262 13.1262 13.1263 13.1263 k = 0.0000 0.0876 0.3058 ( 3020 PWs) bands (ev): -3.5730 -3.5730 -3.5729 -3.5729 0.1808 0.1808 0.1808 0.1808 4.2752 4.2752 4.2753 4.2753 5.8968 5.8968 5.8969 5.8969 6.4190 6.4190 6.4195 6.4195 6.9968 6.9968 6.9972 6.9972 7.2296 7.2296 7.2301 7.2301 7.7847 7.7847 7.7852 7.7852 8.1734 8.1734 8.1737 8.1737 9.1943 9.1943 9.1944 9.1944 10.9101 10.9101 10.9103 10.9103 13.1264 13.1264 13.1265 13.1265 k = 0.0000 0.0767 0.3058 ( 3026 PWs) bands (ev): -3.5909 -3.5909 -3.5908 -3.5908 0.2407 0.2407 0.2407 0.2407 4.2587 4.2587 4.2588 4.2588 5.8476 5.8476 5.8478 5.8478 6.4299 6.4299 6.4304 6.4304 6.9892 6.9892 6.9895 6.9895 7.2185 7.2185 7.2189 7.2189 7.7708 7.7708 7.7712 7.7712 8.1863 8.1863 8.1866 8.1866 9.1743 9.1743 9.1743 9.1743 10.9442 10.9442 10.9444 10.9444 13.1064 13.1064 13.1064 13.1064 k = 0.0000 0.0657 0.3058 ( 3040 PWs) bands (ev): -3.6065 -3.6065 -3.6064 -3.6064 0.2943 0.2943 0.2944 0.2944 4.2437 4.2437 4.2438 4.2438 5.8027 5.8027 5.8028 5.8028 6.4399 6.4399 6.4403 6.4403 6.9827 6.9827 6.9830 6.9830 7.2083 7.2083 7.2087 7.2087 7.7578 7.7578 7.7582 7.7582 8.1993 8.1993 8.1996 8.1996 9.1568 9.1568 9.1569 9.1569 10.9759 10.9759 10.9761 10.9761 13.0809 13.0809 13.0809 13.0809 k = 0.0000 0.0548 0.3058 ( 3036 PWs) bands (ev): -3.6197 -3.6197 -3.6196 -3.6196 0.3411 0.3411 0.3411 0.3411 4.2305 4.2305 4.2306 4.2306 5.7628 5.7628 5.7630 5.7630 6.4488 6.4488 6.4492 6.4492 6.9774 6.9774 6.9778 6.9778 7.1993 7.1993 7.1997 7.1997 7.7465 7.7465 7.7470 7.7470 8.2114 8.2114 8.2117 8.2117 9.1421 9.1421 9.1421 9.1421 11.0046 11.0046 11.0047 11.0047 13.0556 13.0556 13.0556 13.0556 k = 0.0000 0.0438 0.3058 ( 3046 PWs) bands (ev): -3.6305 -3.6305 -3.6304 -3.6304 0.3803 0.3803 0.3803 0.3803 4.2194 4.2194 4.2195 4.2195 5.7290 5.7290 5.7292 5.7292 6.4562 6.4562 6.4567 6.4567 6.9731 6.9731 6.9735 6.9735 7.1915 7.1915 7.1920 7.1920 7.7372 7.7372 7.7377 7.7377 8.2219 8.2219 8.2222 8.2222 9.1300 9.1300 9.1300 9.1300 11.0294 11.0294 11.0295 11.0295 13.0328 13.0328 13.0328 13.0328 k = 0.0000 0.0329 0.3058 ( 3044 PWs) bands (ev): -3.6389 -3.6389 -3.6388 -3.6388 0.4114 0.4114 0.4114 0.4114 4.2104 4.2104 4.2105 4.2105 5.7019 5.7019 5.7022 5.7022 6.4623 6.4623 6.4628 6.4628 6.9699 6.9699 6.9703 6.9703 7.1853 7.1853 7.1858 7.1858 7.7299 7.7299 7.7304 7.7304 8.2305 8.2305 8.2308 8.2308 9.1206 9.1206 9.1206 9.1206 11.0496 11.0496 11.0498 11.0498 13.0139 13.0139 13.0140 13.0140 k = 0.0000 0.0219 0.3058 ( 3040 PWs) bands (ev): -3.6450 -3.6450 -3.6449 -3.6449 0.4340 0.4340 0.4340 0.4340 4.2039 4.2039 4.2040 4.2040 5.6822 5.6822 5.6824 5.6824 6.4668 6.4668 6.4672 6.4672 6.9677 6.9677 6.9681 6.9681 7.1807 7.1807 7.1812 7.1812 7.7246 7.7246 7.7252 7.7252 8.2368 8.2368 8.2371 8.2371 9.1139 9.1139 9.1139 9.1139 11.0645 11.0645 11.0647 11.0647 12.9998 12.9998 12.9999 12.9999 k = 0.0000 0.0110 0.3058 ( 3046 PWs) bands (ev): -3.6486 -3.6486 -3.6485 -3.6485 0.4477 0.4477 0.4477 0.4477 4.1999 4.1999 4.2000 4.2000 5.6702 5.6702 5.6704 5.6704 6.4695 6.4695 6.4699 6.4699 6.9663 6.9663 6.9667 6.9667 7.1779 7.1779 7.1784 7.1784 7.7215 7.7215 7.7220 7.7220 8.2406 8.2406 8.2409 8.2409 9.1098 9.1098 9.1099 9.1099 11.0737 11.0737 11.0739 11.0739 12.9911 12.9911 12.9911 12.9911 k = 0.0000 0.0000 0.3058 ( 3034 PWs) bands (ev): -3.6498 -3.6498 -3.6497 -3.6497 0.4523 0.4523 0.4523 0.4523 4.1985 4.1985 4.1987 4.1987 5.6662 5.6662 5.6664 5.6664 6.4704 6.4704 6.4709 6.4709 6.9659 6.9659 6.9663 6.9663 7.1770 7.1770 7.1775 7.1775 7.7205 7.7205 7.7210 7.7210 8.2419 8.2419 8.2422 8.2422 9.1085 9.1085 9.1086 9.1086 11.0769 11.0769 11.0770 11.0770 12.9881 12.9881 12.9882 12.9882 k = 0.0000 0.3725-0.0000 ( 3030 PWs) bands (ev): -3.1566 -3.1566 -3.1566 -3.1566 -0.6046 -0.6046 -0.6045 -0.6045 3.4124 3.4124 3.4124 3.4124 6.2610 6.2610 6.2614 6.2614 6.5485 6.5485 6.5489 6.5489 7.0716 7.0716 7.0721 7.0721 7.2862 7.2862 7.2867 7.2867 7.6550 7.6550 7.6556 7.6556 9.3133 9.3133 9.3133 9.3133 9.9838 9.9838 9.9839 9.9839 12.1372 12.1372 12.1373 12.1373 12.5354 12.5354 12.5355 12.5355 k = 0.0000 0.3725 0.0109 ( 3030 PWs) bands (ev): -3.1556 -3.1556 -3.1556 -3.1556 -0.6079 -0.6079 -0.6078 -0.6078 3.4166 3.4166 3.4166 3.4166 6.2606 6.2606 6.2611 6.2611 6.5478 6.5478 6.5482 6.5482 7.0726 7.0726 7.0731 7.0731 7.2868 7.2868 7.2873 7.2873 7.6553 7.6553 7.6559 7.6559 9.3122 9.3122 9.3122 9.3122 9.9842 9.9842 9.9843 9.9843 12.1348 12.1348 12.1349 12.1349 12.5237 12.5237 12.5239 12.5239 k = 0.0000 0.3725 0.0218 ( 3022 PWs) bands (ev): -3.1525 -3.1525 -3.1525 -3.1525 -0.6176 -0.6176 -0.6176 -0.6176 3.4292 3.4292 3.4292 3.4292 6.2598 6.2598 6.2602 6.2602 6.5457 6.5457 6.5461 6.5461 7.0755 7.0755 7.0760 7.0760 7.2885 7.2885 7.2891 7.2891 7.6562 7.6562 7.6567 7.6567 9.3091 9.3091 9.3091 9.3091 9.9855 9.9855 9.9856 9.9856 12.1277 12.1277 12.1278 12.1278 12.4911 12.4911 12.4913 12.4913 k = 0.0000 0.3725 0.0328 ( 3026 PWs) bands (ev): -3.1473 -3.1473 -3.1473 -3.1473 -0.6338 -0.6338 -0.6337 -0.6337 3.4499 3.4499 3.4500 3.4500 6.2584 6.2584 6.2588 6.2588 6.5421 6.5421 6.5425 6.5425 7.0801 7.0801 7.0805 7.0805 7.2913 7.2913 7.2918 7.2918 7.6574 7.6574 7.6580 7.6580 9.3040 9.3040 9.3040 9.3040 9.9876 9.9876 9.9877 9.9877 12.1158 12.1158 12.1159 12.1159 12.4425 12.4425 12.4426 12.4426 k = 0.0000 0.3725 0.0437 ( 3028 PWs) bands (ev): -3.1400 -3.1400 -3.1400 -3.1400 -0.6559 -0.6559 -0.6559 -0.6559 3.4785 3.4785 3.4786 3.4786 6.2564 6.2564 6.2568 6.2568 6.5375 6.5375 6.5379 6.5379 7.0862 7.0862 7.0866 7.0866 7.2951 7.2951 7.2956 7.2956 7.6591 7.6591 7.6597 7.6597 9.2972 9.2972 9.2972 9.2972 9.9906 9.9906 9.9906 9.9906 12.0991 12.0991 12.0992 12.0992 12.3824 12.3824 12.3826 12.3826 k = 0.0000 0.3725 0.0546 ( 3028 PWs) bands (ev): -3.1308 -3.1308 -3.1307 -3.1307 -0.6838 -0.6838 -0.6837 -0.6837 3.5146 3.5146 3.5146 3.5146 6.2540 6.2540 6.2544 6.2544 6.5319 6.5319 6.5323 6.5323 7.0936 7.0936 7.0940 7.0940 7.2999 7.2999 7.3005 7.3005 7.6610 7.6610 7.6616 7.6616 9.2891 9.2891 9.2891 9.2891 9.9944 9.9944 9.9944 9.9944 12.0773 12.0773 12.0775 12.0775 12.3144 12.3144 12.3146 12.3146 k = 0.0000 0.3725 0.0655 ( 3026 PWs) bands (ev): -3.1195 -3.1195 -3.1194 -3.1194 -0.7169 -0.7169 -0.7169 -0.7169 3.5575 3.5575 3.5575 3.5575 6.2511 6.2511 6.2515 6.2515 6.5257 6.5257 6.5261 6.5261 7.1020 7.1020 7.1024 7.1024 7.3057 7.3057 7.3062 7.3062 7.6629 7.6629 7.6635 7.6635 9.2799 9.2799 9.2800 9.2800 9.9990 9.9990 9.9990 9.9990 12.0498 12.0498 12.0499 12.0499 12.2415 12.2415 12.2417 12.2417 k = 0.0000 0.3725 0.0765 ( 3030 PWs) bands (ev): -3.1062 -3.1062 -3.1062 -3.1062 -0.7549 -0.7549 -0.7548 -0.7548 3.6067 3.6067 3.6068 3.6068 6.2478 6.2478 6.2482 6.2482 6.5192 6.5192 6.5195 6.5195 7.1111 7.1111 7.1115 7.1115 7.3123 7.3123 7.3128 7.3128 7.6645 7.6645 7.6650 7.6650 9.2704 9.2704 9.2704 9.2704 10.0044 10.0044 10.0044 10.0044 12.0146 12.0146 12.0147 12.0147 12.1672 12.1672 12.1673 12.1673 k = 0.0000 0.3725 0.0874 ( 3030 PWs) bands (ev): -3.0910 -3.0910 -3.0910 -3.0910 -0.7970 -0.7970 -0.7970 -0.7970 3.6616 3.6616 3.6617 3.6617 6.2441 6.2441 6.2445 6.2445 6.5125 6.5125 6.5129 6.5129 7.1206 7.1206 7.1211 7.1211 7.3196 7.3196 7.3201 7.3201 7.6654 7.6654 7.6660 7.6660 9.2609 9.2609 9.2609 9.2609 10.0106 10.0106 10.0106 10.0106 11.9676 11.9676 11.9678 11.9678 12.0967 12.0967 12.0969 12.0969 k = 0.0000 0.3725 0.0983 ( 3016 PWs) bands (ev): -3.0739 -3.0739 -3.0739 -3.0739 -0.8429 -0.8429 -0.8429 -0.8429 3.7215 3.7215 3.7215 3.7215 6.2402 6.2402 6.2406 6.2406 6.5062 6.5062 6.5066 6.5066 7.1304 7.1304 7.1308 7.1308 7.3276 7.3276 7.3281 7.3281 7.6655 7.6655 7.6660 7.6660 9.2522 9.2522 9.2523 9.2523 10.0175 10.0175 10.0176 10.0176 11.9037 11.9037 11.9039 11.9039 12.0365 12.0365 12.0366 12.0366 k = 0.0000 0.3725 0.1092 ( 3008 PWs) bands (ev): -3.0550 -3.0550 -3.0550 -3.0550 -0.8920 -0.8920 -0.8920 -0.8920 3.7855 3.7855 3.7856 3.7856 6.2360 6.2360 6.2364 6.2364 6.5003 6.5003 6.5006 6.5006 7.1400 7.1400 7.1404 7.1404 7.3361 7.3361 7.3366 7.3366 7.6640 7.6640 7.6645 7.6645 9.2451 9.2451 9.2452 9.2452 10.0252 10.0252 10.0252 10.0252 11.8234 11.8234 11.8236 11.8236 11.9868 11.9868 11.9870 11.9870 k = 0.0000 0.3725 0.1202 ( 3000 PWs) bands (ev): -3.0344 -3.0344 -3.0343 -3.0343 -0.9438 -0.9438 -0.9437 -0.9437 3.8530 3.8530 3.8531 3.8531 6.2317 6.2317 6.2321 6.2321 6.4951 6.4951 6.4954 6.4954 7.1493 7.1493 7.1497 7.1497 7.3450 7.3450 7.3455 7.3455 7.6607 7.6607 7.6612 7.6612 9.2403 9.2403 9.2404 9.2404 10.0336 10.0336 10.0336 10.0336 11.7323 11.7323 11.7325 11.7325 11.9431 11.9431 11.9432 11.9432 k = 0.0000 0.3725 0.1311 ( 3000 PWs) bands (ev): -3.0121 -3.0121 -3.0121 -3.0121 -0.9975 -0.9975 -0.9975 -0.9975 3.9232 3.9232 3.9233 3.9233 6.2272 6.2272 6.2276 6.2276 6.4908 6.4908 6.4911 6.4911 7.1582 7.1582 7.1586 7.1586 7.3541 7.3541 7.3545 7.3545 7.6550 7.6550 7.6554 7.6554 9.2387 9.2387 9.2387 9.2387 10.0425 10.0425 10.0425 10.0425 11.6349 11.6349 11.6351 11.6351 11.9018 11.9018 11.9019 11.9019 k = 0.0000 0.3725 0.1420 ( 3008 PWs) bands (ev): -2.9883 -2.9883 -2.9883 -2.9883 -1.0529 -1.0529 -1.0528 -1.0528 3.9953 3.9953 3.9954 3.9954 6.2227 6.2227 6.2231 6.2231 6.4878 6.4878 6.4880 6.4880 7.1664 7.1664 7.1668 7.1668 7.3631 7.3631 7.3636 7.3636 7.6464 7.6464 7.6469 7.6469 9.2409 9.2409 9.2410 9.2410 10.0520 10.0520 10.0520 10.0520 11.5335 11.5335 11.5337 11.5337 11.8615 11.8615 11.8616 11.8616 k = 0.0000 0.3725 0.1529 ( 3008 PWs) bands (ev): -2.9631 -2.9631 -2.9631 -2.9631 -1.1093 -1.1093 -1.1092 -1.1092 4.0685 4.0685 4.0685 4.0685 6.2182 6.2182 6.2186 6.2186 6.4861 6.4861 6.4863 6.4863 7.1739 7.1739 7.1743 7.1743 7.3721 7.3721 7.3726 7.3726 7.6349 7.6349 7.6353 7.6353 9.2477 9.2477 9.2478 9.2478 10.0620 10.0620 10.0620 10.0620 11.4293 11.4293 11.4295 11.4295 11.8217 11.8217 11.8219 11.8219 k = 0.0000 0.3725 0.1638 ( 3012 PWs) bands (ev): -2.9367 -2.9367 -2.9366 -2.9366 -1.1662 -1.1662 -1.1661 -1.1661 4.1419 4.1419 4.1420 4.1420 6.2137 6.2137 6.2141 6.2141 6.4860 6.4860 6.4862 6.4862 7.1805 7.1805 7.1809 7.1809 7.3809 7.3809 7.3813 7.3813 7.6200 7.6200 7.6205 7.6205 9.2599 9.2599 9.2599 9.2599 10.0723 10.0723 10.0723 10.0723 11.3234 11.3234 11.3236 11.3236 11.7825 11.7825 11.7827 11.7827 k = 0.0000 0.3725 0.1748 ( 3010 PWs) bands (ev): -2.9092 -2.9092 -2.9091 -2.9091 -1.2230 -1.2230 -1.2230 -1.2230 4.2148 4.2148 4.2149 4.2149 6.2094 6.2094 6.2097 6.2097 6.4878 6.4878 6.4879 6.4879 7.1862 7.1862 7.1866 7.1866 7.3891 7.3891 7.3895 7.3895 7.6021 7.6021 7.6025 7.6025 9.2778 9.2778 9.2779 9.2779 10.0828 10.0828 10.0829 10.0829 11.2162 11.2162 11.2164 11.2164 11.7441 11.7441 11.7442 11.7442 k = 0.0000 0.3725 0.1857 ( 3018 PWs) bands (ev): -2.8808 -2.8808 -2.8808 -2.8808 -1.2793 -1.2793 -1.2793 -1.2793 4.2862 4.2862 4.2863 4.2863 6.2052 6.2052 6.2055 6.2055 6.4914 6.4914 6.4916 6.4916 7.1909 7.1909 7.1913 7.1913 7.3964 7.3964 7.3968 7.3968 7.5812 7.5812 7.5816 7.5816 9.3018 9.3018 9.3019 9.3019 10.0934 10.0934 10.0935 10.0935 11.1085 11.1085 11.1087 11.1087 11.7067 11.7067 11.7069 11.7069 k = 0.0000 0.3725 0.1966 ( 3018 PWs) bands (ev): -2.8520 -2.8520 -2.8519 -2.8519 -1.3346 -1.3346 -1.3345 -1.3345 4.3554 4.3554 4.3555 4.3555 6.2012 6.2012 6.2016 6.2016 6.4971 6.4971 6.4973 6.4973 7.1943 7.1943 7.1947 7.1947 7.4025 7.4025 7.4029 7.4029 7.5582 7.5582 7.5586 7.5586 9.3323 9.3323 9.3324 9.3324 10.1039 10.1039 10.1039 10.1039 11.0007 11.0007 11.0009 11.0009 11.6708 11.6708 11.6709 11.6709 k = 0.0000 0.3725 0.2075 ( 3010 PWs) bands (ev): -2.8229 -2.8229 -2.8229 -2.8229 -1.3881 -1.3881 -1.3880 -1.3880 4.4214 4.4214 4.4215 4.4215 6.1975 6.1975 6.1979 6.1979 6.5050 6.5050 6.5051 6.5051 7.1963 7.1963 7.1967 7.1967 7.4067 7.4067 7.4071 7.4071 7.5344 7.5344 7.5349 7.5349 9.3692 9.3692 9.3693 9.3693 10.1140 10.1140 10.1140 10.1140 10.8934 10.8934 10.8936 10.8936 11.6366 11.6366 11.6368 11.6368 k = 0.0000 0.3725 0.2185 ( 3020 PWs) bands (ev): -2.7941 -2.7941 -2.7940 -2.7940 -1.4394 -1.4394 -1.4393 -1.4393 4.4834 4.4834 4.4835 4.4835 6.1941 6.1941 6.1945 6.1945 6.5148 6.5148 6.5149 6.5149 7.1966 7.1966 7.1971 7.1971 7.4076 7.4076 7.4080 7.4080 7.5119 7.5119 7.5122 7.5122 9.4124 9.4124 9.4125 9.4125 10.1234 10.1234 10.1234 10.1234 10.7871 10.7871 10.7873 10.7873 11.6046 11.6046 11.6048 11.6048 k = 0.0000 0.3725 0.2294 ( 3016 PWs) bands (ev): -2.7660 -2.7660 -2.7659 -2.7659 -1.4877 -1.4877 -1.4876 -1.4876 4.5405 4.5405 4.5406 4.5406 6.1910 6.1910 6.1914 6.1914 6.5265 6.5265 6.5266 6.5266 7.1951 7.1951 7.1955 7.1955 7.4035 7.4035 7.4038 7.4038 7.4936 7.4936 7.4940 7.4940 9.4618 9.4618 9.4620 9.4620 10.1316 10.1316 10.1317 10.1317 10.6826 10.6826 10.6827 10.6827 11.5752 11.5752 11.5754 11.5754 k = 0.0000 0.3725 0.2403 ( 3016 PWs) bands (ev): -2.7392 -2.7392 -2.7391 -2.7391 -1.5323 -1.5323 -1.5322 -1.5322 4.5919 4.5919 4.5921 4.5921 6.1883 6.1883 6.1886 6.1886 6.5396 6.5396 6.5397 6.5397 7.1912 7.1912 7.1916 7.1916 7.3931 7.3931 7.3935 7.3935 7.4821 7.4821 7.4824 7.4824 9.5172 9.5172 9.5173 9.5173 10.1381 10.1381 10.1382 10.1382 10.5806 10.5806 10.5808 10.5808 11.5487 11.5487 11.5489 11.5489 k = 0.0000 0.3725 0.2512 ( 3008 PWs) bands (ev): -2.7144 -2.7144 -2.7144 -2.7144 -1.5723 -1.5723 -1.5723 -1.5723 4.6369 4.6369 4.6371 4.6371 6.1860 6.1860 6.1863 6.1863 6.5537 6.5537 6.5538 6.5538 7.1849 7.1849 7.1853 7.1853 7.3786 7.3786 7.3789 7.3789 7.4768 7.4768 7.4771 7.4771 9.5781 9.5781 9.5782 9.5782 10.1416 10.1416 10.1417 10.1417 10.4827 10.4827 10.4829 10.4829 11.5256 11.5256 11.5258 11.5258 k = 0.0000 0.3725 0.2621 ( 3016 PWs) bands (ev): -2.6925 -2.6925 -2.6924 -2.6924 -1.6070 -1.6070 -1.6069 -1.6069 4.6747 4.6747 4.6749 4.6749 6.1840 6.1840 6.1843 6.1843 6.5679 6.5679 6.5679 6.5679 7.1763 7.1763 7.1768 7.1768 7.3635 7.3635 7.3639 7.3639 7.4751 7.4751 7.4754 7.4754 9.6441 9.6441 9.6442 9.6442 10.1394 10.1394 10.1395 10.1395 10.3918 10.3918 10.3920 10.3920 11.5061 11.5061 11.5063 11.5063 k = 0.0000 0.3725 0.2731 ( 3016 PWs) bands (ev): -2.6741 -2.6741 -2.6741 -2.6741 -1.6352 -1.6352 -1.6351 -1.6351 4.7048 4.7048 4.7050 4.7050 6.1824 6.1824 6.1828 6.1828 6.5810 6.5810 6.5810 6.5810 7.1666 7.1666 7.1670 7.1670 7.3509 7.3509 7.3512 7.3512 7.4751 7.4751 7.4755 7.4755 9.7146 9.7146 9.7148 9.7148 10.1250 10.1250 10.1251 10.1251 10.3148 10.3148 10.3149 10.3149 11.4906 11.4906 11.4908 11.4908 k = 0.0000 0.3725 0.2840 ( 3018 PWs) bands (ev): -2.6603 -2.6603 -2.6602 -2.6602 -1.6562 -1.6562 -1.6561 -1.6561 4.7267 4.7267 4.7268 4.7268 6.1813 6.1813 6.1816 6.1816 6.5918 6.5918 6.5918 6.5918 7.1573 7.1573 7.1578 7.1578 7.3418 7.3418 7.3421 7.3421 7.4757 7.4757 7.4760 7.4760 9.7889 9.7889 9.7891 9.7891 10.0873 10.0873 10.0874 10.0874 10.2634 10.2634 10.2635 10.2635 11.4794 11.4794 11.4796 11.4796 k = 0.0000 0.3725 0.2949 ( 3024 PWs) bands (ev): -2.6517 -2.6517 -2.6516 -2.6516 -1.6691 -1.6691 -1.6690 -1.6690 4.7399 4.7399 4.7401 4.7401 6.1806 6.1806 6.1810 6.1810 6.5989 6.5989 6.5990 6.5990 7.1507 7.1507 7.1512 7.1512 7.3364 7.3364 7.3367 7.3367 7.4761 7.4761 7.4764 7.4764 9.8654 9.8654 9.8655 9.8655 10.0251 10.0251 10.0253 10.0253 10.2404 10.2404 10.2404 10.2404 11.4725 11.4725 11.4727 11.4727 k = 0.0000 0.3725 0.3058 ( 3016 PWs) bands (ev): -2.6487 -2.6487 -2.6486 -2.6486 -1.6735 -1.6735 -1.6734 -1.6734 4.7444 4.7444 4.7446 4.7446 6.1804 6.1804 6.1808 6.1808 6.6014 6.6014 6.6015 6.6015 7.1483 7.1483 7.1488 7.1488 7.3346 7.3346 7.3350 7.3350 7.4763 7.4763 7.4767 7.4767 9.9266 9.9266 9.9269 9.9269 9.9668 9.9668 9.9669 9.9669 10.2345 10.2345 10.2346 10.2346 11.4702 11.4702 11.4704 11.4704 k = 0.5000-0.0000 0.3058 ( 3028 PWs) bands (ev): -2.3809 -2.3809 -2.3806 -2.3806 -0.0238 -0.0238 -0.0183 -0.0183 3.8453 3.8453 3.8789 3.8789 5.9649 5.9649 5.9784 5.9784 6.0827 6.0827 6.1105 6.1105 7.1410 7.1410 7.1912 7.1912 7.2176 7.2176 7.2533 7.2533 7.3416 7.3416 7.3562 7.3562 7.7382 7.7382 7.7667 7.7667 8.3770 8.3770 8.4016 8.4016 9.0418 9.0418 9.0843 9.0843 11.1728 11.1728 11.2184 11.2184 k = 0.5000-0.0000 0.2949 ( 3032 PWs) bands (ev): -2.3817 -2.3817 -2.3814 -2.3814 -0.0221 -0.0221 -0.0166 -0.0166 3.8459 3.8459 3.8795 3.8795 5.9589 5.9589 5.9692 5.9692 6.0909 6.0909 6.1155 6.1155 7.1358 7.1358 7.1881 7.1881 7.2109 7.2109 7.2514 7.2514 7.3484 7.3484 7.3656 7.3656 7.7381 7.7381 7.7666 7.7666 8.3673 8.3673 8.3926 8.3926 9.0506 9.0506 9.0920 9.0920 11.1740 11.1740 11.2196 11.2196 k = 0.5000-0.0000 0.2840 ( 3038 PWs) bands (ev): -2.3839 -2.3839 -2.3836 -2.3836 -0.0170 -0.0170 -0.0115 -0.0115 3.8478 3.8478 3.8812 3.8812 5.9431 5.9431 5.9474 5.9474 6.1099 6.1099 6.1284 6.1284 7.1219 7.1219 7.1764 7.1764 7.1981 7.1981 7.2461 7.2461 7.3667 7.3667 7.3891 7.3891 7.7381 7.7381 7.7661 7.7661 8.3399 8.3399 8.3673 8.3673 9.0752 9.0752 9.1139 9.1139 11.1775 11.1775 11.2232 11.2232 k = 0.5000-0.0000 0.2731 ( 3042 PWs) bands (ev): -2.3877 -2.3877 -2.3874 -2.3874 -0.0086 -0.0086 -0.0031 -0.0031 3.8511 3.8511 3.8841 3.8841 5.9198 5.9198 5.9212 5.9212 6.1326 6.1326 6.1454 6.1454 7.1028 7.1028 7.1545 7.1545 7.1871 7.1871 7.2374 7.2374 7.3924 7.3924 7.4197 7.4197 7.7380 7.7380 7.7653 7.7653 8.2996 8.2996 8.3295 8.3295 9.1120 9.1120 9.1467 9.1467 11.1832 11.1832 11.2291 11.2291 k = 0.5000-0.0000 0.2621 ( 3054 PWs) bands (ev): -2.3928 -2.3928 -2.3925 -2.3925 0.0031 0.0031 0.0085 0.0085 3.8556 3.8556 3.8882 3.8882 5.8898 5.8898 5.8960 5.8960 6.1558 6.1558 6.1637 6.1637 7.0811 7.0811 7.1279 7.1279 7.1756 7.1756 7.2250 7.2250 7.4224 7.4224 7.4534 7.4534 7.7382 7.7382 7.7641 7.7641 8.2516 8.2516 8.2836 8.2836 9.1567 9.1567 9.1872 9.1872 11.1909 11.1909 11.2370 11.2370 k = 0.5000-0.0000 0.2512 ( 3044 PWs) bands (ev): -2.3993 -2.3993 -2.3990 -2.3990 0.0178 0.0178 0.0232 0.0232 3.8615 3.8615 3.8936 3.8936 5.8587 5.8587 5.8691 5.8691 6.1780 6.1780 6.1817 6.1817 7.0584 7.0584 7.0995 7.0995 7.1621 7.1621 7.2087 7.2087 7.4543 7.4543 7.4879 7.4879 7.7387 7.7387 7.7625 7.7625 8.2012 8.2012 8.2341 8.2341 9.2062 9.2062 9.2325 9.2325 11.2005 11.2005 11.2467 11.2467 k = 0.5000-0.0000 0.2403 ( 3036 PWs) bands (ev): -2.4069 -2.4069 -2.4066 -2.4066 0.0354 0.0354 0.0408 0.0408 3.8687 3.8687 3.9002 3.9002 5.8272 5.8272 5.8413 5.8413 6.1983 6.1983 6.1983 6.1983 7.0347 7.0347 7.0691 7.0691 7.1466 7.1466 7.1881 7.1881 7.4866 7.4866 7.5217 7.5217 7.7399 7.7399 7.7605 7.7605 8.1527 8.1527 8.1849 8.1849 9.2585 9.2585 9.2808 9.2808 11.2116 11.2116 11.2580 11.2580 k = 0.5000-0.0000 0.2294 ( 3040 PWs) bands (ev): -2.4156 -2.4156 -2.4153 -2.4153 0.0556 0.0556 0.0609 0.0609 3.8773 3.8773 3.9080 3.9080 5.7958 5.7958 5.8132 5.8132 6.2129 6.2129 6.2163 6.2163 7.0091 7.0091 7.0354 7.0354 7.1301 7.1301 7.1638 7.1638 7.5179 7.5179 7.5531 7.5531 7.7423 7.7423 7.7580 7.7580 8.1096 8.1096 8.1393 8.1393 9.3120 9.3120 9.3306 9.3306 11.2239 11.2239 11.2704 11.2704 k = 0.5000-0.0000 0.2185 ( 3040 PWs) bands (ev): -2.4252 -2.4252 -2.4249 -2.4249 0.0781 0.0781 0.0834 0.0834 3.8874 3.8874 3.9172 3.9172 5.7647 5.7647 5.7853 5.7853 6.2251 6.2251 6.2317 6.2317 6.9793 6.9793 6.9966 6.9966 7.1139 7.1139 7.1376 7.1376 7.5471 7.5471 7.5806 7.5806 7.7466 7.7466 7.7556 7.7556 8.0750 8.0750 8.1000 8.1000 9.3662 9.3662 9.3814 9.3814 11.2371 11.2371 11.2838 11.2838 k = 0.5000-0.0000 0.2075 ( 3032 PWs) bands (ev): -2.4355 -2.4355 -2.4352 -2.4352 0.1028 0.1028 0.1079 0.1079 3.8989 3.8989 3.9277 3.9277 5.7342 5.7342 5.7579 5.7579 6.2349 6.2349 6.2443 6.2443 6.9420 6.9420 6.9507 6.9507 7.0999 7.0999 7.1127 7.1127 7.5729 7.5729 7.6029 7.6029 7.7531 7.7531 7.7536 7.7536 8.0507 8.0507 8.0695 8.0695 9.4207 9.4207 9.4329 9.4329 11.2509 11.2509 11.2975 11.2975 k = 0.5000-0.0000 0.1966 ( 3032 PWs) bands (ev): -2.4464 -2.4464 -2.4462 -2.4462 0.1291 0.1291 0.1342 0.1342 3.9118 3.9118 3.9395 3.9395 5.7043 5.7043 5.7311 5.7311 6.2419 6.2419 6.2540 6.2540 6.8941 6.8941 6.8968 6.8968 7.0886 7.0886 7.0922 7.0922 7.5946 7.5946 7.6193 7.6193 7.7523 7.7523 7.7618 7.7618 8.0372 8.0372 8.0493 8.0493 9.4754 9.4754 9.4851 9.4851 11.2647 11.2647 11.3113 11.3113 k = 0.5000-0.0000 0.1857 ( 3032 PWs) bands (ev): -2.4578 -2.4578 -2.4575 -2.4575 0.1569 0.1569 0.1619 0.1619 3.9262 3.9262 3.9527 3.9527 5.6753 5.6753 5.7051 5.7051 6.2463 6.2463 6.2609 6.2609 6.8347 6.8347 6.8350 6.8350 7.0777 7.0777 7.0806 7.0806 7.6121 7.6121 7.6306 7.6306 7.7524 7.7524 7.7708 7.7708 8.0342 8.0342 8.0402 8.0402 9.5305 9.5305 9.5380 9.5380 11.2783 11.2783 11.3247 11.3247 k = 0.5000-0.0000 0.1748 ( 3028 PWs) bands (ev): -2.4694 -2.4694 -2.4691 -2.4691 0.1858 0.1858 0.1906 0.1906 3.9421 3.9421 3.9672 3.9672 5.6473 5.6473 5.6801 5.6801 6.2483 6.2483 6.2651 6.2651 6.7657 6.7657 6.7662 6.7662 7.0686 7.0686 7.0754 7.0754 7.6258 7.6258 7.6385 7.6385 7.7539 7.7539 7.7788 7.7788 8.0403 8.0403 8.0418 8.0418 9.5862 9.5862 9.5918 9.5918 11.2909 11.2909 11.3370 11.3370 k = 0.5000-0.0000 0.1638 ( 3024 PWs) bands (ev): -2.4811 -2.4811 -2.4809 -2.4809 0.2154 0.2154 0.2200 0.2200 3.9595 3.9595 3.9832 3.9832 5.6203 5.6203 5.6561 5.6561 6.2478 6.2478 6.2669 6.2669 6.6893 6.6893 6.6917 6.6917 7.0639 7.0639 7.0728 7.0728 7.6367 7.6367 7.6444 7.6444 7.7563 7.7563 7.7846 7.7846 8.0526 8.0526 8.0536 8.0536 9.6427 9.6427 9.6468 9.6468 11.3022 11.3022 11.3477 11.3477 k = 0.5000-0.0000 0.1529 ( 3028 PWs) bands (ev): -2.4928 -2.4928 -2.4926 -2.4926 0.2453 0.2453 0.2498 0.2498 3.9783 3.9783 4.0005 4.0005 5.5946 5.5946 5.6334 5.6334 6.2450 6.2450 6.2666 6.2666 6.6083 6.6083 6.6131 6.6131 7.0624 7.0624 7.0723 7.0723 7.6459 7.6459 7.6496 7.6496 7.7590 7.7590 7.7884 7.7884 8.0703 8.0703 8.0722 8.0722 9.7005 9.7005 9.7033 9.7033 11.3113 11.3113 11.3561 11.3561 k = 0.5000-0.0000 0.1420 ( 3024 PWs) bands (ev): -2.5043 -2.5043 -2.5040 -2.5040 0.2752 0.2752 0.2795 0.2795 3.9985 3.9985 4.0190 4.0190 5.5701 5.5701 5.6119 5.6119 6.2396 6.2396 6.2643 6.2643 6.5252 6.5252 6.5319 6.5319 7.0632 7.0632 7.0734 7.0734 7.6544 7.6544 7.6549 7.6549 7.7618 7.7618 7.7907 7.7907 8.0924 8.0924 8.0944 8.0944 9.7597 9.7597 9.7616 9.7616 11.3174 11.3174 11.3612 11.3612 k = 0.5000-0.0000 0.1311 ( 3024 PWs) bands (ev): -2.5154 -2.5154 -2.5152 -2.5152 0.3048 0.3048 0.3089 0.3089 4.0200 4.0200 4.0388 4.0388 5.5469 5.5469 5.5917 5.5917 6.2308 6.2308 6.2602 6.2602 6.4431 6.4431 6.4500 6.4500 7.0656 7.0656 7.0756 7.0756 7.6606 7.6606 7.6626 7.6626 7.7645 7.7645 7.7921 7.7921 8.1169 8.1169 8.1186 8.1186 9.8205 9.8205 9.8218 9.8218 11.3198 11.3198 11.3621 11.3621 k = 0.5000-0.0000 0.1202 ( 3024 PWs) bands (ev): -2.5262 -2.5262 -2.5260 -2.5260 0.3336 0.3336 0.3375 0.3375 4.0426 4.0426 4.0597 4.0597 5.5252 5.5252 5.5729 5.5729 6.2155 6.2155 6.2537 6.2537 6.3669 6.3669 6.3696 6.3696 7.0690 7.0690 7.0787 7.0787 7.6666 7.6666 7.6707 7.6707 7.7672 7.7672 7.7931 7.7931 8.1423 8.1423 8.1435 8.1435 9.8833 9.8833 9.8841 9.8841 11.3173 11.3173 11.3578 11.3578 k = 0.5000-0.0000 0.1092 ( 3036 PWs) bands (ev): -2.5363 -2.5363 -2.5361 -2.5361 0.3613 0.3613 0.3649 0.3649 4.0661 4.0661 4.0813 4.0813 5.5050 5.5050 5.5553 5.5553 6.1854 6.1854 6.2395 6.2395 6.2976 6.2976 6.3067 6.3067 7.0731 7.0731 7.0821 7.0821 7.6731 7.6731 7.6786 7.6786 7.7697 7.7697 7.7938 7.7938 8.1674 8.1674 8.1681 8.1681 9.9481 9.9481 9.9485 9.9485 11.3088 11.3088 11.3470 11.3470 k = 0.5000-0.0000 0.0983 ( 3036 PWs) bands (ev): -2.5458 -2.5458 -2.5456 -2.5456 0.3876 0.3876 0.3910 0.3910 4.0902 4.0902 4.1036 4.1036 5.4865 5.4865 5.5392 5.5392 6.1331 6.1331 6.1918 6.1918 6.2611 6.2611 6.2716 6.2716 7.0774 7.0774 7.0858 7.0858 7.6797 7.6797 7.6864 7.6864 7.7723 7.7723 7.7947 7.7947 8.1915 8.1915 8.1918 8.1918 10.0149 10.0149 10.0152 10.0152 11.2934 11.2934 11.3288 11.3288 k = 0.5000-0.0000 0.0874 ( 3044 PWs) bands (ev): -2.5546 -2.5546 -2.5544 -2.5544 0.4122 0.4122 0.4152 0.4152 4.1146 4.1146 4.1261 4.1261 5.4697 5.4697 5.5242 5.5242 6.0678 6.0678 6.1225 6.1225 6.2498 6.2498 6.2538 6.2538 7.0818 7.0818 7.0894 7.0894 7.6862 7.6862 7.6936 7.6936 7.7750 7.7750 7.7955 7.7955 8.2138 8.2138 8.2140 8.2140 10.0837 10.0837 10.0839 10.0839 11.2703 11.2703 11.3022 11.3022 k = 0.5000-0.0000 0.0765 ( 3044 PWs) bands (ev): -2.5625 -2.5625 -2.5623 -2.5623 0.4347 0.4347 0.4374 0.4374 4.1387 4.1387 4.1484 4.1484 5.4549 5.4549 5.5103 5.5103 6.0013 6.0013 6.0538 6.0538 6.2428 6.2428 6.2432 6.2432 7.0861 7.0861 7.0928 7.0928 7.6925 7.6925 7.7001 7.7001 7.7780 7.7780 7.7965 7.7965 8.2341 8.2341 8.2343 8.2343 10.1542 10.1542 10.1544 10.1544 11.2389 11.2389 11.2671 11.2671 k = 0.5000-0.0000 0.0655 ( 3036 PWs) bands (ev): -2.5695 -2.5695 -2.5693 -2.5693 0.4548 0.4548 0.4572 0.4572 4.1619 4.1619 4.1699 4.1699 5.4423 5.4423 5.4972 5.4972 5.9391 5.9391 5.9899 5.9899 6.2358 6.2358 6.2372 6.2372 7.0900 7.0900 7.0958 7.0958 7.6984 7.6984 7.7058 7.7058 7.7811 7.7811 7.7974 7.7974 8.2521 8.2521 8.2523 8.2523 10.2260 10.2260 10.2262 10.2262 11.1996 11.1996 11.2236 11.2236 k = 0.5000-0.0000 0.0546 ( 3036 PWs) bands (ev): -2.5755 -2.5755 -2.5754 -2.5754 0.4724 0.4724 0.4743 0.4743 4.1837 4.1837 4.1900 4.1900 5.4321 5.4321 5.4846 5.4846 5.8842 5.8842 5.9323 5.9323 6.2302 6.2302 6.2322 6.2322 7.0936 7.0936 7.0984 7.0984 7.7037 7.7037 7.7105 7.7105 7.7844 7.7844 7.7983 7.7983 8.2676 8.2676 8.2678 8.2678 10.2982 10.2982 10.2985 10.2985 11.1531 11.1531 11.1730 11.1730 k = 0.5000-0.0000 0.0437 ( 3036 PWs) bands (ev): -2.5805 -2.5805 -2.5804 -2.5804 0.4871 0.4871 0.4887 0.4887 4.2031 4.2031 4.2079 4.2079 5.4248 5.4248 5.4723 5.4723 5.8386 5.8386 5.8821 5.8821 6.2259 6.2259 6.2280 6.2280 7.0966 7.0966 7.1006 7.1006 7.7082 7.7082 7.7141 7.7141 7.7876 7.7876 7.7990 7.7990 8.2804 8.2804 8.2806 8.2806 10.3695 10.3695 10.3700 10.3700 11.1013 11.1013 11.1172 11.1172 k = 0.5000-0.0000 0.0328 ( 3036 PWs) bands (ev): -2.5844 -2.5844 -2.5843 -2.5843 0.4988 0.4988 0.5000 0.5000 4.2194 4.2194 4.2228 4.2228 5.4206 5.4206 5.4602 5.4602 5.8039 5.8039 5.8401 5.8401 6.2228 6.2228 6.2246 6.2246 7.0991 7.0991 7.1021 7.1021 7.7119 7.7119 7.7166 7.7166 7.7907 7.7907 7.7994 7.7994 8.2905 8.2905 8.2907 8.2907 10.4376 10.4376 10.4384 10.4384 11.0475 11.0475 11.0595 11.0595 k = 0.5000-0.0000 0.0218 ( 3032 PWs) bands (ev): -2.5872 -2.5872 -2.5871 -2.5871 0.5073 0.5073 0.5081 0.5081 4.2319 4.2319 4.2340 4.2340 5.4198 5.4198 5.4484 5.4484 5.7811 5.7811 5.8073 5.8073 6.2207 6.2207 6.2220 6.2220 7.1011 7.1011 7.1031 7.1031 7.7149 7.7149 7.7182 7.7182 7.7936 7.7936 7.7994 7.7994 8.2977 8.2977 8.2979 8.2979 10.4982 10.4982 10.4991 10.4991 10.9968 10.9968 11.0051 11.0051 k = 0.5000-0.0000 0.0109 ( 3042 PWs) bands (ev): -2.5889 -2.5889 -2.5889 -2.5889 0.5125 0.5125 0.5129 0.5129 4.2398 4.2398 4.2409 4.2409 5.4226 5.4226 5.4376 5.4376 5.7704 5.7704 5.7842 5.7842 6.2195 6.2195 6.2203 6.2203 7.1024 7.1024 7.1035 7.1035 7.7170 7.7170 7.7187 7.7187 7.7959 7.7959 7.7989 7.7989 8.3021 8.3021 8.3023 8.3023 10.5434 10.5434 10.5441 10.5441 10.9583 10.9583 10.9626 10.9626 k = 0.5000-0.0000-0.0000 ( 3030 PWs) bands (ev): -2.5895 -2.5895 -2.5894 -2.5894 0.5144 0.5144 0.5144 0.5144 4.2428 4.2428 4.2429 4.2429 5.4286 5.4286 5.4288 5.4288 5.7717 5.7717 5.7717 5.7717 6.2194 6.2194 6.2197 6.2197 7.1030 7.1030 7.1035 7.1035 7.7181 7.7181 7.7186 7.7186 7.7975 7.7975 7.7980 7.7980 8.3035 8.3035 8.3037 8.3037 10.5610 10.5610 10.5613 10.5613 10.9444 10.9444 10.9446 10.9446 k = 0.5000 0.3725-0.0000 ( 3068 PWs) bands (ev): -2.0816 -2.0816 -2.0795 -2.0795 -0.2891 -0.2891 -0.2811 -0.2811 4.7079 4.7079 4.7529 4.7529 4.8914 4.8914 4.9580 4.9580 5.5913 5.5913 5.6923 5.6923 6.4718 6.4718 6.4941 6.4941 6.5831 6.5831 6.7144 6.7144 7.3917 7.3917 7.4261 7.4261 7.6683 7.6683 7.7097 7.7097 7.8463 7.8463 7.8494 7.8494 9.6920 9.6920 9.7185 9.7185 13.4807 13.4807 13.5382 13.5382 k = 0.5000 0.3725 0.0109 ( 3060 PWs) bands (ev): -2.0811 -2.0811 -2.0790 -2.0790 -0.2893 -0.2893 -0.2813 -0.2813 4.7043 4.7043 4.7492 4.7492 4.8784 4.8784 4.9412 4.9412 5.6106 5.6106 5.7079 5.7079 6.4715 6.4715 6.4919 6.4919 6.5873 6.5873 6.7160 6.7160 7.3927 7.3927 7.4266 7.4266 7.6694 7.6694 7.7103 7.7103 7.8472 7.8472 7.8502 7.8502 9.6948 9.6948 9.7211 9.7211 13.4786 13.4786 13.5362 13.5362 k = 0.5000 0.3725 0.0218 ( 3060 PWs) bands (ev): -2.0797 -2.0797 -2.0776 -2.0776 -0.2897 -0.2897 -0.2818 -0.2818 4.6933 4.6933 4.7381 4.7381 4.8427 4.8427 4.8961 4.8961 5.6631 5.6631 5.7517 5.7517 6.4706 6.4706 6.4863 6.4863 6.5987 6.5987 6.7208 6.7208 7.3956 7.3956 7.4277 7.4277 7.6726 7.6726 7.7120 7.7120 7.8500 7.8500 7.8526 7.8526 9.7032 9.7032 9.7288 9.7288 13.4725 13.4725 13.5302 13.5302 k = 0.5000 0.3725 0.0328 ( 3056 PWs) bands (ev): -2.0773 -2.0773 -2.0753 -2.0753 -0.2905 -0.2905 -0.2826 -0.2826 4.6744 4.6744 4.7192 4.7192 4.7915 4.7915 4.8340 4.8340 5.7383 5.7383 5.8171 5.8171 6.4695 6.4695 6.4798 6.4798 6.6149 6.6149 6.7282 6.7282 7.4003 7.4003 7.4295 7.4295 7.6777 7.6777 7.7148 7.7148 7.8548 7.8548 7.8568 7.8568 9.7172 9.7172 9.7419 9.7419 13.4623 13.4623 13.5203 13.5203 k = 0.5000 0.3725 0.0437 ( 3056 PWs) bands (ev): -2.0740 -2.0740 -2.0720 -2.0720 -0.2917 -0.2917 -0.2838 -0.2838 4.6453 4.6453 4.6904 4.6904 4.7340 4.7340 4.7659 4.7659 5.8270 5.8270 5.8971 5.8971 6.4687 6.4687 6.4739 6.4739 6.6338 6.6338 6.7378 6.7378 7.4067 7.4067 7.4320 7.4320 7.6846 7.6846 7.7184 7.7184 7.8619 7.8619 7.8631 7.8631 9.7369 9.7369 9.7602 9.7602 13.4482 13.4482 13.5065 13.5065 k = 0.5000 0.3725 0.0546 ( 3048 PWs) bands (ev): -2.0698 -2.0698 -2.0678 -2.0678 -0.2931 -0.2931 -0.2854 -0.2854 4.6015 4.6015 4.6442 4.6442 4.6799 4.6799 4.7052 4.7052 5.9234 5.9234 5.9862 5.9862 6.4690 6.4690 6.4700 6.4700 6.6543 6.6543 6.7488 6.7488 7.4144 7.4144 7.4352 7.4352 7.6928 7.6928 7.7228 7.7228 7.8718 7.8718 7.8721 7.8721 9.7624 9.7624 9.7839 9.7839 13.4302 13.4302 13.4888 13.4888 k = 0.5000 0.3725 0.0655 ( 3048 PWs) bands (ev): -2.0648 -2.0648 -2.0628 -2.0628 -0.2948 -0.2948 -0.2872 -0.2872 4.5418 4.5418 4.5774 4.5774 4.6344 4.6344 4.6591 4.6591 6.0232 6.0232 6.0797 6.0797 6.4688 6.4688 6.4715 6.4715 6.6754 6.6754 6.7607 6.7607 7.4232 7.4232 7.4388 7.4388 7.7019 7.7019 7.7275 7.7275 7.8840 7.8840 7.8853 7.8853 9.7937 9.7937 9.8131 9.8131 13.4084 13.4084 13.4674 13.4674 k = 0.5000 0.3725 0.0765 ( 3040 PWs) bands (ev): -2.0589 -2.0589 -2.0570 -2.0570 -0.2969 -0.2969 -0.2895 -0.2895 4.4733 4.4733 4.5024 4.5024 4.5932 4.5932 4.6177 4.6177 6.1225 6.1225 6.1732 6.1732 6.4721 6.4721 6.4782 6.4782 6.6964 6.6964 6.7728 6.7728 7.4327 7.4327 7.4431 7.4431 7.7113 7.7113 7.7324 7.7324 7.9000 7.9000 7.9025 7.9025 9.8310 9.8310 9.8479 9.8479 13.3828 13.3828 13.4423 13.4423 k = 0.5000 0.3725 0.0874 ( 3040 PWs) bands (ev): -2.0524 -2.0524 -2.0505 -2.0505 -0.2993 -0.2993 -0.2920 -0.2920 4.4023 4.4023 4.4264 4.4264 4.5522 4.5522 4.5756 4.5756 6.2162 6.2162 6.2603 6.2603 6.4832 6.4832 6.4936 6.4936 6.7168 6.7168 6.7849 6.7849 7.4428 7.4428 7.4478 7.4478 7.7204 7.7204 7.7371 7.7371 7.9204 7.9204 7.9240 7.9240 9.8743 9.8743 9.8885 9.8885 13.3537 13.3537 13.4136 13.4136 k = 0.5000 0.3725 0.0983 ( 3048 PWs) bands (ev): -2.0451 -2.0451 -2.0433 -2.0433 -0.3020 -0.3020 -0.2950 -0.2950 4.3316 4.3316 4.3520 4.3520 4.5099 4.5099 4.5317 4.5317 6.2952 6.2952 6.3301 6.3301 6.5095 6.5095 6.5268 6.5268 6.7363 6.7363 6.7967 6.7967 7.4530 7.4530 7.4531 7.4531 7.7288 7.7288 7.7414 7.7414 7.9459 7.9459 7.9503 7.9503 9.9236 9.9236 9.9347 9.9347 13.3210 13.3210 13.3814 13.3814 k = 0.5000 0.3725 0.1092 ( 3040 PWs) bands (ev): -2.0373 -2.0373 -2.0355 -2.0355 -0.3050 -0.3050 -0.2982 -0.2982 4.2627 4.2627 4.2803 4.2803 4.4663 4.4663 4.4863 4.4863 6.3487 6.3487 6.3732 6.3732 6.5606 6.5606 6.5855 6.5855 6.7548 6.7548 6.8084 6.8084 7.4590 7.4590 7.4635 7.4635 7.7363 7.7363 7.7454 7.7454 7.9770 7.9770 7.9817 7.9817 9.9792 9.9792 9.9868 9.9868 13.2848 13.2848 13.3455 13.3455 k = 0.5000 0.3725 0.1202 ( 3044 PWs) bands (ev): -2.0289 -2.0289 -2.0272 -2.0272 -0.3083 -0.3083 -0.3017 -0.3017 4.1966 4.1966 4.2119 4.2119 4.4216 4.4216 4.4397 4.4397 6.3773 6.3773 6.3951 6.3951 6.6337 6.6337 6.6617 6.6617 6.7725 6.7725 6.8207 6.8207 7.4654 7.4654 7.4739 7.4739 7.7427 7.7427 7.7489 7.7489 8.0137 8.0137 8.0186 8.0186 10.0407 10.0407 10.0447 10.0447 13.2452 13.2452 13.3062 13.3062 k = 0.5000 0.3725 0.1311 ( 3048 PWs) bands (ev): -2.0200 -2.0200 -2.0184 -2.0184 -0.3119 -0.3119 -0.3056 -0.3056 4.1337 4.1337 4.1471 4.1471 4.3762 4.3762 4.3925 4.3925 6.3922 6.3922 6.4067 6.4067 6.7142 6.7142 6.7394 6.7394 6.7914 6.7914 6.8373 6.8373 7.4726 7.4726 7.4842 7.4842 7.7482 7.7482 7.7520 7.7520 8.0562 8.0562 8.0611 8.0611 10.1083 10.1083 10.1085 10.1085 13.2021 13.2021 13.2634 13.2634 k = 0.5000 0.3725 0.1420 ( 3052 PWs) bands (ev): -2.0109 -2.0109 -2.0093 -2.0093 -0.3157 -0.3157 -0.3097 -0.3097 4.0745 4.0745 4.0863 4.0863 4.3305 4.3305 4.3450 4.3450 6.4010 6.4010 6.4137 6.4137 6.7775 6.7775 6.7961 6.7961 6.8271 6.8271 6.8734 6.8734 7.4805 7.4805 7.4947 7.4947 7.7528 7.7528 7.7548 7.7548 8.1046 8.1046 8.1093 8.1093 10.1780 10.1780 10.1819 10.1819 13.1555 13.1555 13.2171 13.2171 k = 0.5000 0.3725 0.1529 ( 3052 PWs) bands (ev): -2.0015 -2.0015 -2.0000 -2.0000 -0.3197 -0.3197 -0.3140 -0.3140 4.0192 4.0192 4.0297 4.0297 4.2851 4.2851 4.2978 4.2978 6.4071 6.4071 6.4187 6.4187 6.8011 6.8011 6.8193 6.8193 6.8973 6.8973 6.9379 6.9379 7.4895 7.4895 7.5053 7.5053 7.7567 7.7567 7.7574 7.7574 8.1588 8.1588 8.1634 8.1634 10.2531 10.2531 10.2611 10.2611 13.1055 13.1055 13.1672 13.1672 k = 0.5000 0.3725 0.1638 ( 3048 PWs) bands (ev): -1.9919 -1.9919 -1.9906 -1.9906 -0.3239 -0.3239 -0.3185 -0.3185 3.9680 3.9680 3.9773 3.9773 4.2402 4.2402 4.2514 4.2514 6.4120 6.4120 6.4227 6.4227 6.8137 6.8137 6.8299 6.8299 6.9708 6.9708 7.0075 7.0075 7.4994 7.4994 7.5163 7.5163 7.7595 7.7595 7.7604 7.7604 8.2186 8.2186 8.2231 8.2231 10.3337 10.3337 10.3459 10.3459 13.0519 13.0519 13.1138 13.1138 k = 0.5000 0.3725 0.1748 ( 3052 PWs) bands (ev): -1.9824 -1.9824 -1.9811 -1.9811 -0.3282 -0.3282 -0.3231 -0.3231 3.9210 3.9210 3.9294 3.9294 4.1964 4.1964 4.2061 4.2061 6.4162 6.4162 6.4261 6.4261 6.8233 6.8233 6.8367 6.8367 7.0383 7.0383 7.0721 7.0721 7.5103 7.5103 7.5277 7.5277 7.7617 7.7617 7.7634 7.7634 8.2835 8.2835 8.2881 8.2881 10.4194 10.4194 10.4358 10.4358 12.9947 12.9947 13.0568 13.0568 k = 0.5000 0.3725 0.1857 ( 3048 PWs) bands (ev): -1.9730 -1.9730 -1.9718 -1.9718 -0.3325 -0.3325 -0.3278 -0.3278 3.8784 3.8784 3.8858 3.8858 4.1541 4.1541 4.1624 4.1624 6.4200 6.4200 6.4292 6.4292 6.8311 6.8311 6.8417 6.8417 7.0978 7.0978 7.1291 7.1291 7.5223 7.5223 7.5396 7.5396 7.7638 7.7638 7.7662 7.7662 8.3530 8.3530 8.3576 8.3576 10.5100 10.5100 10.5306 10.5306 12.9333 12.9333 12.9959 12.9959 k = 0.5000 0.3725 0.1966 ( 3048 PWs) bands (ev): -1.9638 -1.9638 -1.9627 -1.9627 -0.3368 -0.3368 -0.3325 -0.3325 3.8400 3.8400 3.8467 3.8467 4.1136 4.1136 4.1206 4.1206 6.4235 6.4235 6.4320 6.4320 6.8374 6.8374 6.8457 6.8457 7.1488 7.1488 7.1775 7.1775 7.5352 7.5352 7.5518 7.5518 7.7658 7.7658 7.7688 7.7688 8.4259 8.4259 8.4307 8.4307 10.6051 10.6051 10.6298 10.6298 12.8674 12.8674 12.9307 12.9307 k = 0.5000 0.3725 0.2075 ( 3052 PWs) bands (ev): -1.9550 -1.9550 -1.9540 -1.9540 -0.3411 -0.3411 -0.3371 -0.3371 3.8061 3.8061 3.8121 3.8121 4.0753 4.0753 4.0812 4.0812 6.4268 6.4268 6.4345 6.4345 6.8426 6.8426 6.8487 6.8487 7.1913 7.1913 7.2175 7.2175 7.5487 7.5487 7.5643 7.5643 7.7679 7.7679 7.7712 7.7712 8.5010 8.5010 8.5059 8.5059 10.7042 10.7042 10.7330 10.7330 12.7959 12.7959 12.8606 12.8606 k = 0.5000 0.3725 0.2185 ( 3044 PWs) bands (ev): -1.9467 -1.9467 -1.9458 -1.9458 -0.3451 -0.3451 -0.3416 -0.3416 3.7764 3.7764 3.7817 3.7817 4.0396 4.0396 4.0445 4.0445 6.4299 6.4299 6.4369 6.4369 6.8468 6.8468 6.8513 6.8513 7.2262 7.2262 7.2498 7.2498 7.5623 7.5623 7.5766 7.5766 7.7699 7.7699 7.7734 7.7734 8.5764 8.5764 8.5814 8.5814 10.8068 10.8068 10.8395 10.8395 12.7175 12.7175 12.7841 12.7841 k = 0.5000 0.3725 0.2294 ( 3032 PWs) bands (ev): -1.9390 -1.9390 -1.9382 -1.9382 -0.3489 -0.3489 -0.3458 -0.3458 3.7509 3.7509 3.7556 3.7556 4.0069 4.0069 4.0108 4.0108 6.4329 6.4329 6.4391 6.4391 6.8502 6.8502 6.8533 6.8533 7.2543 7.2543 7.2753 7.2753 7.5755 7.5755 7.5884 7.5884 7.7721 7.7721 7.7755 7.7755 8.6503 8.6503 8.6553 8.6553 10.9125 10.9125 10.9488 10.9488 12.6313 12.6313 12.6998 12.6998 k = 0.5000 0.3725 0.2403 ( 3028 PWs) bands (ev): -1.9321 -1.9321 -1.9314 -1.9314 -0.3524 -0.3524 -0.3497 -0.3497 3.7295 3.7295 3.7335 3.7335 3.9775 3.9775 3.9806 3.9806 6.4356 6.4356 6.4410 6.4410 6.8528 6.8528 6.8549 6.8549 7.2766 7.2766 7.2948 7.2948 7.5879 7.5879 7.5991 7.5991 7.7741 7.7741 7.7774 7.7774 8.7206 8.7206 8.7254 8.7254 11.0203 11.0203 11.0599 11.0599 12.5370 12.5370 12.6066 12.6066 k = 0.5000 0.3725 0.2512 ( 3040 PWs) bands (ev): -1.9260 -1.9260 -1.9254 -1.9254 -0.3554 -0.3554 -0.3532 -0.3532 3.7120 3.7120 3.7154 3.7154 3.9517 3.9517 3.9541 3.9541 6.4379 6.4379 6.4425 6.4425 6.8548 6.8548 6.8561 6.8561 7.2940 7.2940 7.3094 7.3094 7.5988 7.5988 7.6083 7.6083 7.7760 7.7760 7.7790 7.7790 8.7851 8.7851 8.7895 8.7895 11.1294 11.1294 11.1718 11.1718 12.4364 12.4364 12.5055 12.5055 k = 0.5000 0.3725 0.2621 ( 3044 PWs) bands (ev): -1.9209 -1.9209 -1.9204 -1.9204 -0.3580 -0.3580 -0.3562 -0.3562 3.6981 3.6981 3.7009 3.7009 3.9300 3.9300 3.9318 3.9318 6.4400 6.4400 6.4437 6.4437 6.8562 6.8562 6.8571 6.8571 7.3076 7.3076 7.3200 7.3200 7.6082 7.6082 7.6158 7.6158 7.7778 7.7778 7.7804 7.7804 8.8417 8.8417 8.8455 8.8455 11.2384 11.2384 11.2824 11.2824 12.3326 12.3326 12.3991 12.3991 k = 0.5000 0.3725 0.2731 ( 3040 PWs) bands (ev): -1.9168 -1.9168 -1.9164 -1.9164 -0.3600 -0.3600 -0.3587 -0.3587 3.6878 3.6878 3.6899 3.6899 3.9127 3.9127 3.9139 3.9139 6.4418 6.4418 6.4446 6.4446 6.8573 6.8573 6.8579 6.8579 7.3179 7.3179 7.3273 7.3273 7.6159 7.6159 7.6216 7.6216 7.7794 7.7794 7.7815 7.7815 8.8883 8.8883 8.8914 8.8914 11.3448 11.3448 11.3886 11.3886 12.2307 12.2307 12.2919 12.2919 k = 0.5000 0.3725 0.2840 ( 3044 PWs) bands (ev): -1.9138 -1.9138 -1.9135 -1.9135 -0.3615 -0.3615 -0.3605 -0.3605 3.6807 3.6807 3.6821 3.6821 3.9001 3.9001 3.9009 3.9009 6.4433 6.4433 6.4452 6.4452 6.8579 6.8579 6.8584 6.8584 7.3253 7.3253 7.3317 7.3317 7.6216 7.6216 7.6255 7.6255 7.7807 7.7807 7.7822 7.7822 8.9232 8.9232 8.9254 8.9254 11.4438 11.4438 11.4833 11.4833 12.1390 12.1390 12.1902 12.1902 k = 0.5000 0.3725 0.2949 ( 3044 PWs) bands (ev): -1.9119 -1.9119 -1.9118 -1.9118 -0.3622 -0.3622 -0.3618 -0.3618 3.6767 3.6767 3.6774 3.6774 3.8925 3.8925 3.8929 3.8929 6.4443 6.4443 6.4453 6.4453 6.8583 6.8583 6.8587 6.8587 7.3303 7.3303 7.3336 7.3336 7.6254 7.6254 7.6274 7.6274 7.7817 7.7817 7.7826 7.7826 8.9450 8.9450 8.9461 8.9461 11.5252 11.5252 11.5514 11.5514 12.0736 12.0736 12.1057 12.1057 k = 0.5000 0.3725 0.3058 ( 3048 PWs) bands (ev): -1.9113 -1.9113 -1.9112 -1.9112 -0.3624 -0.3624 -0.3623 -0.3623 3.6756 3.6756 3.6756 3.6756 3.8900 3.8900 3.8900 3.8900 6.4448 6.4448 6.4452 6.4452 6.8584 6.8584 6.8588 6.8588 7.3328 7.3328 7.3333 7.3333 7.6271 7.6271 7.6276 7.6276 7.7820 7.7820 7.7826 7.7826 8.9527 8.9527 8.9528 8.9528 11.5681 11.5681 11.5683 11.5683 12.0595 12.0595 12.0597 12.0597 Writing output data file NiAs2.save init_run : 0.15s CPU 0.33s WALL ( 1 calls) electrons : 137.74s CPU 140.52s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 137.73s CPU 140.51s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.04s WALL ( 440 calls) cegterg : 124.50s CPU 126.53s WALL ( 462 calls) Called by sum_band: Called by *egterg: h_psi : 67.50s CPU 69.21s WALL ( 7938 calls) s_psi : 3.86s CPU 3.92s WALL ( 7938 calls) g_psi : 0.22s CPU 0.20s WALL ( 7036 calls) cdiaghg : 50.85s CPU 51.31s WALL ( 7476 calls) cegterg:over : 4.92s CPU 4.97s WALL ( 7036 calls) cegterg:upda : 3.48s CPU 3.54s WALL ( 7036 calls) cegterg:last : 2.21s CPU 2.21s WALL ( 1342 calls) cdiaghg:chol : 2.82s CPU 2.78s WALL ( 7476 calls) cdiaghg:inve : 1.95s CPU 1.94s WALL ( 7476 calls) cdiaghg:para : 3.05s CPU 2.93s WALL ( 14952 calls) Called by h_psi: h_psi:vloc : 58.08s CPU 59.46s WALL ( 7938 calls) h_psi:vnl : 9.22s CPU 9.56s WALL ( 7938 calls) add_vuspsi : 4.60s CPU 4.73s WALL ( 7938 calls) General routines calbec : 4.60s CPU 4.81s WALL ( 7938 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 54.89s CPU 56.15s WALL ( 902500 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.17s CPU 0.25s WALL ( 880 calls) Parallel routines fft_scatter : 21.66s CPU 22.13s WALL ( 902523 calls) PWSCF : 2m33.69s CPU 2m56.98s WALL This run was terminated on: 20:33: 6 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=