Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 5:56:25 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 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 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: ./Zr3Cd2.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D 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: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 87 27 7 6942 1201 179 Max 89 28 8 6945 1230 188 Sum 6279 1963 547 499977 87573 13157 bravais-lattice index = 14 lattice parameter (alat) = 10.0155 a.u. unit-cell volume = 1832.9158 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 2 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.015548 celldm(2)= 1.230189 celldm(3)= 1.483019 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 1.230189 0.000000 ) a(3) = ( 0.000000 0.000000 1.483019 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.812883 -0.000000 ) b(3) = ( 0.000000 0.000000 0.674300 ) PseudoPot. # 1 for Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for Cd read from file: /users/gautes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 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 Zr 4.00 91.22400 Zr( 1.00) Cd 12.00 112.41100 Cd( 1.00) 8 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 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 = 4 180 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 ) isym = 5 inversion cryst. s( 5) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 6) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 6) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 7) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 7) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_2h (mmm) there are 10 classes and 2 irreducible representations the character table: E -E C2 C2' C2'' i -i s_v s_v' s_v'' -C2 -C2' -C2'' -s_v -s_v' -s_v' G_5+ 2.00 -2.00 0.00 0.00 0.00 2.00 -2.00 0.00 0.00 0.00 G_5- 2.00 -2.00 0.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] C2' -C2' 3 -3 180 deg rotation - cart. axis [0,1,0] C2'' -C2'' 4 -4 180 deg rotation - cart. axis [1,0,0] i 5 inversion -i -5 inversion E s_v -s_v 6 -6 inv. 180 deg rotation - cart. axis [0,0,1] s_v'-s_v' 7 -7 inv. 180 deg rotation - cart. axis [0,1,0] s_v''-s_v' 8 -8 inv. 180 deg rotation - cart. axis [1,0,0] Cartesian axes number of k points= 312 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 2) = ( 0.0166667 -0.0000000 -0.0000000), wk = 0.0032051 k( 3) = ( 0.0333333 -0.0000000 -0.0000000), wk = 0.0032051 k( 4) = ( 0.0500000 -0.0000000 -0.0000000), wk = 0.0032051 k( 5) = ( 0.0666667 -0.0000000 -0.0000000), wk = 0.0032051 k( 6) = ( 0.0833333 -0.0000000 -0.0000000), wk = 0.0032051 k( 7) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0032051 k( 8) = ( 0.1166667 -0.0000000 -0.0000000), wk = 0.0032051 k( 9) = ( 0.1333333 -0.0000000 -0.0000000), wk = 0.0032051 k( 10) = ( 0.1500000 -0.0000000 -0.0000000), wk = 0.0032051 k( 11) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0032051 k( 12) = ( 0.1833333 -0.0000000 -0.0000000), wk = 0.0032051 k( 13) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0032051 k( 14) = ( 0.2166667 -0.0000000 -0.0000000), wk = 0.0032051 k( 15) = ( 0.2333333 -0.0000000 -0.0000000), wk = 0.0032051 k( 16) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0032051 k( 17) = ( 0.2666667 -0.0000000 -0.0000000), wk = 0.0032051 k( 18) = ( 0.2833333 -0.0000000 -0.0000000), wk = 0.0032051 k( 19) = ( 0.3000000 -0.0000000 -0.0000000), wk = 0.0032051 k( 20) = ( 0.3166667 -0.0000000 -0.0000000), wk = 0.0032051 k( 21) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0032051 k( 22) = ( 0.3500000 -0.0000000 -0.0000000), wk = 0.0032051 k( 23) = ( 0.3666667 -0.0000000 -0.0000000), wk = 0.0032051 k( 24) = ( 0.3833333 -0.0000000 -0.0000000), wk = 0.0032051 k( 25) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0032051 k( 26) = ( 0.4166667 -0.0000000 -0.0000000), wk = 0.0032051 k( 27) = ( 0.4333333 -0.0000000 -0.0000000), wk = 0.0032051 k( 28) = ( 0.4500000 -0.0000000 -0.0000000), wk = 0.0032051 k( 29) = ( 0.4666667 -0.0000000 -0.0000000), wk = 0.0032051 k( 30) = ( 0.4833333 -0.0000000 -0.0000000), wk = 0.0032051 k( 31) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0032051 k( 32) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0032051 k( 33) = ( 0.5000000 0.0162577 -0.0000000), wk = 0.0032051 k( 34) = ( 0.5000000 0.0325153 -0.0000000), wk = 0.0032051 k( 35) = ( 0.5000000 0.0487730 -0.0000000), wk = 0.0032051 k( 36) = ( 0.5000000 0.0650307 -0.0000000), wk = 0.0032051 k( 37) = ( 0.5000000 0.0812883 -0.0000000), wk = 0.0032051 k( 38) = ( 0.5000000 0.0975460 -0.0000000), wk = 0.0032051 k( 39) = ( 0.5000000 0.1138037 -0.0000000), wk = 0.0032051 k( 40) = ( 0.5000000 0.1300613 -0.0000000), wk = 0.0032051 k( 41) = ( 0.5000000 0.1463190 -0.0000000), wk = 0.0032051 k( 42) = ( 0.5000000 0.1625767 -0.0000000), wk = 0.0032051 k( 43) = ( 0.5000000 0.1788344 -0.0000000), wk = 0.0032051 k( 44) = ( 0.5000000 0.1950920 -0.0000000), wk = 0.0032051 k( 45) = ( 0.5000000 0.2113497 -0.0000000), wk = 0.0032051 k( 46) = ( 0.5000000 0.2276074 -0.0000000), wk = 0.0032051 k( 47) = ( 0.5000000 0.2438650 -0.0000000), wk = 0.0032051 k( 48) = ( 0.5000000 0.2601227 -0.0000000), wk = 0.0032051 k( 49) = ( 0.5000000 0.2763804 -0.0000000), wk = 0.0032051 k( 50) = ( 0.5000000 0.2926380 -0.0000000), wk = 0.0032051 k( 51) = ( 0.5000000 0.3088957 -0.0000000), wk = 0.0032051 k( 52) = ( 0.5000000 0.3251534 -0.0000000), wk = 0.0032051 k( 53) = ( 0.5000000 0.3414110 -0.0000000), wk = 0.0032051 k( 54) = ( 0.5000000 0.3576687 -0.0000000), wk = 0.0032051 k( 55) = ( 0.5000000 0.3739264 -0.0000000), wk = 0.0032051 k( 56) = ( 0.5000000 0.3901840 -0.0000000), wk = 0.0032051 k( 57) = ( 0.5000000 0.4064417 -0.0000000), wk = 0.0032051 k( 58) = ( 0.5000000 0.4064417 -0.0000000), wk = 0.0032051 k( 59) = ( 0.4833333 0.4064417 -0.0000000), wk = 0.0032051 k( 60) = ( 0.4666667 0.4064417 -0.0000000), wk = 0.0032051 k( 61) = ( 0.4500000 0.4064417 -0.0000000), wk = 0.0032051 k( 62) = ( 0.4333333 0.4064417 -0.0000000), wk = 0.0032051 k( 63) = ( 0.4166667 0.4064417 -0.0000000), wk = 0.0032051 k( 64) = ( 0.4000000 0.4064417 -0.0000000), wk = 0.0032051 k( 65) = ( 0.3833333 0.4064417 -0.0000000), wk = 0.0032051 k( 66) = ( 0.3666667 0.4064417 -0.0000000), wk = 0.0032051 k( 67) = ( 0.3500000 0.4064417 -0.0000000), wk = 0.0032051 k( 68) = ( 0.3333333 0.4064417 -0.0000000), wk = 0.0032051 k( 69) = ( 0.3166667 0.4064417 -0.0000000), wk = 0.0032051 k( 70) = ( 0.3000000 0.4064417 -0.0000000), wk = 0.0032051 k( 71) = ( 0.2833333 0.4064417 -0.0000000), wk = 0.0032051 k( 72) = ( 0.2666667 0.4064417 -0.0000000), wk = 0.0032051 k( 73) = ( 0.2500000 0.4064417 -0.0000000), wk = 0.0032051 k( 74) = ( 0.2333333 0.4064417 -0.0000000), wk = 0.0032051 k( 75) = ( 0.2166667 0.4064417 -0.0000000), wk = 0.0032051 k( 76) = ( 0.2000000 0.4064417 -0.0000000), wk = 0.0032051 k( 77) = ( 0.1833333 0.4064417 -0.0000000), wk = 0.0032051 k( 78) = ( 0.1666667 0.4064417 -0.0000000), wk = 0.0032051 k( 79) = ( 0.1500000 0.4064417 -0.0000000), wk = 0.0032051 k( 80) = ( 0.1333333 0.4064417 -0.0000000), wk = 0.0032051 k( 81) = ( 0.1166667 0.4064417 -0.0000000), wk = 0.0032051 k( 82) = ( 0.1000000 0.4064417 -0.0000000), wk = 0.0032051 k( 83) = ( 0.0833333 0.4064417 -0.0000000), wk = 0.0032051 k( 84) = ( 0.0666667 0.4064417 -0.0000000), wk = 0.0032051 k( 85) = ( 0.0500000 0.4064417 -0.0000000), wk = 0.0032051 k( 86) = ( 0.0333333 0.4064417 -0.0000000), wk = 0.0032051 k( 87) = ( 0.0166667 0.4064417 -0.0000000), wk = 0.0032051 k( 88) = ( 0.0000000 0.4064417 -0.0000000), wk = 0.0032051 k( 89) = ( 0.0000000 0.4064417 -0.0000000), wk = 0.0032051 k( 90) = ( 0.0000000 0.3901840 -0.0000000), wk = 0.0032051 k( 91) = ( 0.0000000 0.3739264 -0.0000000), wk = 0.0032051 k( 92) = ( 0.0000000 0.3576687 -0.0000000), wk = 0.0032051 k( 93) = ( 0.0000000 0.3414110 -0.0000000), wk = 0.0032051 k( 94) = ( 0.0000000 0.3251534 -0.0000000), wk = 0.0032051 k( 95) = ( 0.0000000 0.3088957 -0.0000000), wk = 0.0032051 k( 96) = ( 0.0000000 0.2926380 -0.0000000), wk = 0.0032051 k( 97) = ( 0.0000000 0.2763804 -0.0000000), wk = 0.0032051 k( 98) = ( 0.0000000 0.2601227 -0.0000000), wk = 0.0032051 k( 99) = ( 0.0000000 0.2438650 -0.0000000), wk = 0.0032051 k( 100) = ( 0.0000000 0.2276074 -0.0000000), wk = 0.0032051 k( 101) = ( 0.0000000 0.2113497 -0.0000000), wk = 0.0032051 k( 102) = ( 0.0000000 0.1950920 -0.0000000), wk = 0.0032051 k( 103) = ( 0.0000000 0.1788344 -0.0000000), wk = 0.0032051 k( 104) = ( 0.0000000 0.1625767 -0.0000000), wk = 0.0032051 k( 105) = ( 0.0000000 0.1463190 -0.0000000), wk = 0.0032051 k( 106) = ( 0.0000000 0.1300613 -0.0000000), wk = 0.0032051 k( 107) = ( 0.0000000 0.1138037 -0.0000000), wk = 0.0032051 k( 108) = ( 0.0000000 0.0975460 -0.0000000), wk = 0.0032051 k( 109) = ( 0.0000000 0.0812883 -0.0000000), wk = 0.0032051 k( 110) = ( 0.0000000 0.0650307 -0.0000000), wk = 0.0032051 k( 111) = ( 0.0000000 0.0487730 -0.0000000), wk = 0.0032051 k( 112) = ( 0.0000000 0.0325153 -0.0000000), wk = 0.0032051 k( 113) = ( 0.0000000 0.0162577 -0.0000000), wk = 0.0032051 k( 114) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 116) = ( 0.0000000 0.0000000 0.0168575), wk = 0.0032051 k( 117) = ( 0.0000000 0.0000000 0.0337150), wk = 0.0032051 k( 118) = ( 0.0000000 0.0000000 0.0505725), wk = 0.0032051 k( 119) = ( 0.0000000 0.0000000 0.0674300), wk = 0.0032051 k( 120) = ( 0.0000000 0.0000000 0.0842875), wk = 0.0032051 k( 121) = ( 0.0000000 0.0000000 0.1011450), wk = 0.0032051 k( 122) = ( 0.0000000 0.0000000 0.1180025), wk = 0.0032051 k( 123) = ( 0.0000000 0.0000000 0.1348601), wk = 0.0032051 k( 124) = ( 0.0000000 0.0000000 0.1517176), wk = 0.0032051 k( 125) = ( 0.0000000 0.0000000 0.1685751), wk = 0.0032051 k( 126) = ( 0.0000000 0.0000000 0.1854326), wk = 0.0032051 k( 127) = ( 0.0000000 0.0000000 0.2022901), wk = 0.0032051 k( 128) = ( 0.0000000 0.0000000 0.2191476), wk = 0.0032051 k( 129) = ( 0.0000000 0.0000000 0.2360051), wk = 0.0032051 k( 130) = ( 0.0000000 0.0000000 0.2528626), wk = 0.0032051 k( 131) = ( 0.0000000 0.0000000 0.2697201), wk = 0.0032051 k( 132) = ( 0.0000000 0.0000000 0.2865776), wk = 0.0032051 k( 133) = ( 0.0000000 0.0000000 0.3034351), wk = 0.0032051 k( 134) = ( 0.0000000 0.0000000 0.3202926), wk = 0.0032051 k( 135) = ( 0.0000000 0.0000000 0.3371501), wk = 0.0032051 k( 136) = ( 0.0000000 0.0000000 0.3371501), wk = 0.0032051 k( 137) = ( 0.0166667 -0.0000000 0.3371501), wk = 0.0032051 k( 138) = ( 0.0333333 -0.0000000 0.3371501), wk = 0.0032051 k( 139) = ( 0.0500000 -0.0000000 0.3371501), wk = 0.0032051 k( 140) = ( 0.0666667 -0.0000000 0.3371501), wk = 0.0032051 k( 141) = ( 0.0833333 -0.0000000 0.3371501), wk = 0.0032051 k( 142) = ( 0.1000000 -0.0000000 0.3371501), wk = 0.0032051 k( 143) = ( 0.1166667 -0.0000000 0.3371501), wk = 0.0032051 k( 144) = ( 0.1333333 -0.0000000 0.3371501), wk = 0.0032051 k( 145) = ( 0.1500000 -0.0000000 0.3371501), wk = 0.0032051 k( 146) = ( 0.1666667 -0.0000000 0.3371501), wk = 0.0032051 k( 147) = ( 0.1833333 -0.0000000 0.3371501), wk = 0.0032051 k( 148) = ( 0.2000000 -0.0000000 0.3371501), wk = 0.0032051 k( 149) = ( 0.2166667 -0.0000000 0.3371501), wk = 0.0032051 k( 150) = ( 0.2333333 -0.0000000 0.3371501), wk = 0.0032051 k( 151) = ( 0.2500000 -0.0000000 0.3371501), wk = 0.0032051 k( 152) = ( 0.2666667 -0.0000000 0.3371501), wk = 0.0032051 k( 153) = ( 0.2833333 -0.0000000 0.3371501), wk = 0.0032051 k( 154) = ( 0.3000000 -0.0000000 0.3371501), wk = 0.0032051 k( 155) = ( 0.3166667 -0.0000000 0.3371501), wk = 0.0032051 k( 156) = ( 0.3333333 -0.0000000 0.3371501), wk = 0.0032051 k( 157) = ( 0.3500000 -0.0000000 0.3371501), wk = 0.0032051 k( 158) = ( 0.3666667 -0.0000000 0.3371501), wk = 0.0032051 k( 159) = ( 0.3833333 -0.0000000 0.3371501), wk = 0.0032051 k( 160) = ( 0.4000000 -0.0000000 0.3371501), wk = 0.0032051 k( 161) = ( 0.4166667 -0.0000000 0.3371501), wk = 0.0032051 k( 162) = ( 0.4333333 -0.0000000 0.3371501), wk = 0.0032051 k( 163) = ( 0.4500000 -0.0000000 0.3371501), wk = 0.0032051 k( 164) = ( 0.4666667 -0.0000000 0.3371501), wk = 0.0032051 k( 165) = ( 0.4833333 -0.0000000 0.3371501), wk = 0.0032051 k( 166) = ( 0.5000000 -0.0000000 0.3371501), wk = 0.0032051 k( 167) = ( 0.5000000 -0.0000000 0.3371501), wk = 0.0032051 k( 168) = ( 0.5000000 0.0162577 0.3371501), wk = 0.0032051 k( 169) = ( 0.5000000 0.0325153 0.3371501), wk = 0.0032051 k( 170) = ( 0.5000000 0.0487730 0.3371501), wk = 0.0032051 k( 171) = ( 0.5000000 0.0650307 0.3371501), wk = 0.0032051 k( 172) = ( 0.5000000 0.0812883 0.3371501), wk = 0.0032051 k( 173) = ( 0.5000000 0.0975460 0.3371501), wk = 0.0032051 k( 174) = ( 0.5000000 0.1138037 0.3371501), wk = 0.0032051 k( 175) = ( 0.5000000 0.1300613 0.3371501), wk = 0.0032051 k( 176) = ( 0.5000000 0.1463190 0.3371501), wk = 0.0032051 k( 177) = ( 0.5000000 0.1625767 0.3371501), wk = 0.0032051 k( 178) = ( 0.5000000 0.1788344 0.3371501), wk = 0.0032051 k( 179) = ( 0.5000000 0.1950920 0.3371501), wk = 0.0032051 k( 180) = ( 0.5000000 0.2113497 0.3371501), wk = 0.0032051 k( 181) = ( 0.5000000 0.2276074 0.3371501), wk = 0.0032051 k( 182) = ( 0.5000000 0.2438650 0.3371501), wk = 0.0032051 k( 183) = ( 0.5000000 0.2601227 0.3371501), wk = 0.0032051 k( 184) = ( 0.5000000 0.2763804 0.3371501), wk = 0.0032051 k( 185) = ( 0.5000000 0.2926380 0.3371501), wk = 0.0032051 k( 186) = ( 0.5000000 0.3088957 0.3371501), wk = 0.0032051 k( 187) = ( 0.5000000 0.3251534 0.3371501), wk = 0.0032051 k( 188) = ( 0.5000000 0.3414110 0.3371501), wk = 0.0032051 k( 189) = ( 0.5000000 0.3576687 0.3371501), wk = 0.0032051 k( 190) = ( 0.5000000 0.3739264 0.3371501), wk = 0.0032051 k( 191) = ( 0.5000000 0.3901840 0.3371501), wk = 0.0032051 k( 192) = ( 0.5000000 0.4064417 0.3371501), wk = 0.0032051 k( 193) = ( 0.5000000 0.4064417 0.3371501), wk = 0.0032051 k( 194) = ( 0.4833333 0.4064417 0.3371501), wk = 0.0032051 k( 195) = ( 0.4666667 0.4064417 0.3371501), wk = 0.0032051 k( 196) = ( 0.4500000 0.4064417 0.3371501), wk = 0.0032051 k( 197) = ( 0.4333333 0.4064417 0.3371501), wk = 0.0032051 k( 198) = ( 0.4166667 0.4064417 0.3371501), wk = 0.0032051 k( 199) = ( 0.4000000 0.4064417 0.3371501), wk = 0.0032051 k( 200) = ( 0.3833333 0.4064417 0.3371501), wk = 0.0032051 k( 201) = ( 0.3666667 0.4064417 0.3371501), wk = 0.0032051 k( 202) = ( 0.3500000 0.4064417 0.3371501), wk = 0.0032051 k( 203) = ( 0.3333333 0.4064417 0.3371501), wk = 0.0032051 k( 204) = ( 0.3166667 0.4064417 0.3371501), wk = 0.0032051 k( 205) = ( 0.3000000 0.4064417 0.3371501), wk = 0.0032051 k( 206) = ( 0.2833333 0.4064417 0.3371501), wk = 0.0032051 k( 207) = ( 0.2666667 0.4064417 0.3371501), wk = 0.0032051 k( 208) = ( 0.2500000 0.4064417 0.3371501), wk = 0.0032051 k( 209) = ( 0.2333333 0.4064417 0.3371501), wk = 0.0032051 k( 210) = ( 0.2166667 0.4064417 0.3371501), wk = 0.0032051 k( 211) = ( 0.2000000 0.4064417 0.3371501), wk = 0.0032051 k( 212) = ( 0.1833333 0.4064417 0.3371501), wk = 0.0032051 k( 213) = ( 0.1666667 0.4064417 0.3371501), wk = 0.0032051 k( 214) = ( 0.1500000 0.4064417 0.3371501), wk = 0.0032051 k( 215) = ( 0.1333333 0.4064417 0.3371501), wk = 0.0032051 k( 216) = ( 0.1166667 0.4064417 0.3371501), wk = 0.0032051 k( 217) = ( 0.1000000 0.4064417 0.3371501), wk = 0.0032051 k( 218) = ( 0.0833333 0.4064417 0.3371501), wk = 0.0032051 k( 219) = ( 0.0666667 0.4064417 0.3371501), wk = 0.0032051 k( 220) = ( 0.0500000 0.4064417 0.3371501), wk = 0.0032051 k( 221) = ( 0.0333333 0.4064417 0.3371501), wk = 0.0032051 k( 222) = ( 0.0166667 0.4064417 0.3371501), wk = 0.0032051 k( 223) = ( 0.0000000 0.4064417 0.3371501), wk = 0.0032051 k( 224) = ( 0.0000000 0.4064417 0.3371501), wk = 0.0032051 k( 225) = ( 0.0000000 0.3901840 0.3371501), wk = 0.0032051 k( 226) = ( 0.0000000 0.3739264 0.3371501), wk = 0.0032051 k( 227) = ( 0.0000000 0.3576687 0.3371501), wk = 0.0032051 k( 228) = ( 0.0000000 0.3414110 0.3371501), wk = 0.0032051 k( 229) = ( 0.0000000 0.3251534 0.3371501), wk = 0.0032051 k( 230) = ( 0.0000000 0.3088957 0.3371501), wk = 0.0032051 k( 231) = ( 0.0000000 0.2926380 0.3371501), wk = 0.0032051 k( 232) = ( 0.0000000 0.2763804 0.3371501), wk = 0.0032051 k( 233) = ( 0.0000000 0.2601227 0.3371501), wk = 0.0032051 k( 234) = ( 0.0000000 0.2438650 0.3371501), wk = 0.0032051 k( 235) = ( 0.0000000 0.2276074 0.3371501), wk = 0.0032051 k( 236) = ( 0.0000000 0.2113497 0.3371501), wk = 0.0032051 k( 237) = ( 0.0000000 0.1950920 0.3371501), wk = 0.0032051 k( 238) = ( 0.0000000 0.1788344 0.3371501), wk = 0.0032051 k( 239) = ( 0.0000000 0.1625767 0.3371501), wk = 0.0032051 k( 240) = ( 0.0000000 0.1463190 0.3371501), wk = 0.0032051 k( 241) = ( 0.0000000 0.1300613 0.3371501), wk = 0.0032051 k( 242) = ( 0.0000000 0.1138037 0.3371501), wk = 0.0032051 k( 243) = ( 0.0000000 0.0975460 0.3371501), wk = 0.0032051 k( 244) = ( 0.0000000 0.0812883 0.3371501), wk = 0.0032051 k( 245) = ( 0.0000000 0.0650307 0.3371501), wk = 0.0032051 k( 246) = ( 0.0000000 0.0487730 0.3371501), wk = 0.0032051 k( 247) = ( 0.0000000 0.0325153 0.3371501), wk = 0.0032051 k( 248) = ( 0.0000000 0.0162577 0.3371501), wk = 0.0032051 k( 249) = ( 0.0000000 0.0000000 0.3371501), wk = 0.0032051 k( 250) = ( 0.0000000 0.4064417 -0.0000000), wk = 0.0032051 k( 251) = ( 0.0000000 0.4064417 0.0168575), wk = 0.0032051 k( 252) = ( 0.0000000 0.4064417 0.0337150), wk = 0.0032051 k( 253) = ( 0.0000000 0.4064417 0.0505725), wk = 0.0032051 k( 254) = ( 0.0000000 0.4064417 0.0674300), wk = 0.0032051 k( 255) = ( 0.0000000 0.4064417 0.0842875), wk = 0.0032051 k( 256) = ( 0.0000000 0.4064417 0.1011450), wk = 0.0032051 k( 257) = ( 0.0000000 0.4064417 0.1180025), wk = 0.0032051 k( 258) = ( 0.0000000 0.4064417 0.1348601), wk = 0.0032051 k( 259) = ( 0.0000000 0.4064417 0.1517176), wk = 0.0032051 k( 260) = ( 0.0000000 0.4064417 0.1685751), wk = 0.0032051 k( 261) = ( 0.0000000 0.4064417 0.1854326), wk = 0.0032051 k( 262) = ( 0.0000000 0.4064417 0.2022901), wk = 0.0032051 k( 263) = ( 0.0000000 0.4064417 0.2191476), wk = 0.0032051 k( 264) = ( 0.0000000 0.4064417 0.2360051), wk = 0.0032051 k( 265) = ( 0.0000000 0.4064417 0.2528626), wk = 0.0032051 k( 266) = ( 0.0000000 0.4064417 0.2697201), wk = 0.0032051 k( 267) = ( 0.0000000 0.4064417 0.2865776), wk = 0.0032051 k( 268) = ( 0.0000000 0.4064417 0.3034351), wk = 0.0032051 k( 269) = ( 0.0000000 0.4064417 0.3202926), wk = 0.0032051 k( 270) = ( 0.0000000 0.4064417 0.3371501), wk = 0.0032051 k( 271) = ( 0.5000000 -0.0000000 0.3371501), wk = 0.0032051 k( 272) = ( 0.5000000 -0.0000000 0.3202926), wk = 0.0032051 k( 273) = ( 0.5000000 -0.0000000 0.3034351), wk = 0.0032051 k( 274) = ( 0.5000000 -0.0000000 0.2865776), wk = 0.0032051 k( 275) = ( 0.5000000 -0.0000000 0.2697201), wk = 0.0032051 k( 276) = ( 0.5000000 -0.0000000 0.2528626), wk = 0.0032051 k( 277) = ( 0.5000000 -0.0000000 0.2360051), wk = 0.0032051 k( 278) = ( 0.5000000 -0.0000000 0.2191476), wk = 0.0032051 k( 279) = ( 0.5000000 -0.0000000 0.2022901), wk = 0.0032051 k( 280) = ( 0.5000000 -0.0000000 0.1854326), wk = 0.0032051 k( 281) = ( 0.5000000 -0.0000000 0.1685751), wk = 0.0032051 k( 282) = ( 0.5000000 -0.0000000 0.1517176), wk = 0.0032051 k( 283) = ( 0.5000000 -0.0000000 0.1348601), wk = 0.0032051 k( 284) = ( 0.5000000 -0.0000000 0.1180025), wk = 0.0032051 k( 285) = ( 0.5000000 -0.0000000 0.1011450), wk = 0.0032051 k( 286) = ( 0.5000000 -0.0000000 0.0842875), wk = 0.0032051 k( 287) = ( 0.5000000 -0.0000000 0.0674300), wk = 0.0032051 k( 288) = ( 0.5000000 -0.0000000 0.0505725), wk = 0.0032051 k( 289) = ( 0.5000000 -0.0000000 0.0337150), wk = 0.0032051 k( 290) = ( 0.5000000 -0.0000000 0.0168575), wk = 0.0032051 k( 291) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0032051 k( 292) = ( 0.5000000 0.4064417 -0.0000000), wk = 0.0032051 k( 293) = ( 0.5000000 0.4064417 0.0168575), wk = 0.0032051 k( 294) = ( 0.5000000 0.4064417 0.0337150), wk = 0.0032051 k( 295) = ( 0.5000000 0.4064417 0.0505725), wk = 0.0032051 k( 296) = ( 0.5000000 0.4064417 0.0674300), wk = 0.0032051 k( 297) = ( 0.5000000 0.4064417 0.0842875), wk = 0.0032051 k( 298) = ( 0.5000000 0.4064417 0.1011450), wk = 0.0032051 k( 299) = ( 0.5000000 0.4064417 0.1180025), wk = 0.0032051 k( 300) = ( 0.5000000 0.4064417 0.1348601), wk = 0.0032051 k( 301) = ( 0.5000000 0.4064417 0.1517176), wk = 0.0032051 k( 302) = ( 0.5000000 0.4064417 0.1685751), wk = 0.0032051 k( 303) = ( 0.5000000 0.4064417 0.1854326), wk = 0.0032051 k( 304) = ( 0.5000000 0.4064417 0.2022901), wk = 0.0032051 k( 305) = ( 0.5000000 0.4064417 0.2191476), wk = 0.0032051 k( 306) = ( 0.5000000 0.4064417 0.2360051), wk = 0.0032051 k( 307) = ( 0.5000000 0.4064417 0.2528626), wk = 0.0032051 k( 308) = ( 0.5000000 0.4064417 0.2697201), wk = 0.0032051 k( 309) = ( 0.5000000 0.4064417 0.2865776), wk = 0.0032051 k( 310) = ( 0.5000000 0.4064417 0.3034351), wk = 0.0032051 k( 311) = ( 0.5000000 0.4064417 0.3202926), wk = 0.0032051 k( 312) = ( 0.5000000 0.4064417 0.3371501), wk = 0.0032051 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 2) = ( 0.0166667 0.0000000 0.0000000), wk = 0.0032051 k( 3) = ( 0.0333333 0.0000000 0.0000000), wk = 0.0032051 k( 4) = ( 0.0500000 -0.0000000 0.0000000), wk = 0.0032051 k( 5) = ( 0.0666667 -0.0000000 0.0000000), wk = 0.0032051 k( 6) = ( 0.0833333 0.0000000 0.0000000), wk = 0.0032051 k( 7) = ( 0.1000000 -0.0000000 0.0000000), wk = 0.0032051 k( 8) = ( 0.1166667 -0.0000000 0.0000000), wk = 0.0032051 k( 9) = ( 0.1333333 -0.0000000 0.0000000), wk = 0.0032051 k( 10) = ( 0.1500000 -0.0000000 0.0000000), wk = 0.0032051 k( 11) = ( 0.1666667 -0.0000000 0.0000000), wk = 0.0032051 k( 12) = ( 0.1833333 -0.0000000 0.0000000), wk = 0.0032051 k( 13) = ( 0.2000000 -0.0000000 0.0000000), wk = 0.0032051 k( 14) = ( 0.2166667 -0.0000000 0.0000000), wk = 0.0032051 k( 15) = ( 0.2333333 -0.0000000 0.0000000), wk = 0.0032051 k( 16) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0032051 k( 17) = ( 0.2666667 -0.0000000 0.0000000), wk = 0.0032051 k( 18) = ( 0.2833333 0.0000000 -0.0000000), wk = 0.0032051 k( 19) = ( 0.3000000 -0.0000000 0.0000000), wk = 0.0032051 k( 20) = ( 0.3166667 -0.0000000 0.0000000), wk = 0.0032051 k( 21) = ( 0.3333333 -0.0000000 0.0000000), wk = 0.0032051 k( 22) = ( 0.3500000 -0.0000000 -0.0000000), wk = 0.0032051 k( 23) = ( 0.3666667 -0.0000000 0.0000000), wk = 0.0032051 k( 24) = ( 0.3833333 -0.0000000 0.0000000), wk = 0.0032051 k( 25) = ( 0.4000000 -0.0000000 0.0000000), wk = 0.0032051 k( 26) = ( 0.4166667 -0.0000000 0.0000000), wk = 0.0032051 k( 27) = ( 0.4333333 -0.0000000 0.0000000), wk = 0.0032051 k( 28) = ( 0.4500000 -0.0000000 0.0000000), wk = 0.0032051 k( 29) = ( 0.4666667 -0.0000000 0.0000000), wk = 0.0032051 k( 30) = ( 0.4833333 -0.0000000 0.0000000), wk = 0.0032051 k( 31) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0032051 k( 32) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0032051 k( 33) = ( 0.5000000 0.0200000 0.0000000), wk = 0.0032051 k( 34) = ( 0.5000000 0.0400000 -0.0000000), wk = 0.0032051 k( 35) = ( 0.5000000 0.0600000 0.0000000), wk = 0.0032051 k( 36) = ( 0.5000000 0.0800000 0.0000000), wk = 0.0032051 k( 37) = ( 0.5000000 0.1000000 0.0000000), wk = 0.0032051 k( 38) = ( 0.5000000 0.1200000 0.0000000), wk = 0.0032051 k( 39) = ( 0.5000000 0.1400000 -0.0000000), wk = 0.0032051 k( 40) = ( 0.5000000 0.1600000 0.0000000), wk = 0.0032051 k( 41) = ( 0.5000000 0.1800000 0.0000000), wk = 0.0032051 k( 42) = ( 0.5000000 0.2000000 0.0000000), wk = 0.0032051 k( 43) = ( 0.5000000 0.2200000 0.0000000), wk = 0.0032051 k( 44) = ( 0.5000000 0.2400000 0.0000000), wk = 0.0032051 k( 45) = ( 0.5000000 0.2600000 -0.0000000), wk = 0.0032051 k( 46) = ( 0.5000000 0.2800000 0.0000000), wk = 0.0032051 k( 47) = ( 0.5000000 0.3000000 -0.0000000), wk = 0.0032051 k( 48) = ( 0.5000000 0.3200000 0.0000000), wk = 0.0032051 k( 49) = ( 0.5000000 0.3400000 -0.0000000), wk = 0.0032051 k( 50) = ( 0.5000000 0.3600000 0.0000000), wk = 0.0032051 k( 51) = ( 0.5000000 0.3800000 -0.0000000), wk = 0.0032051 k( 52) = ( 0.5000000 0.4000000 -0.0000000), wk = 0.0032051 k( 53) = ( 0.5000000 0.4200000 0.0000000), wk = 0.0032051 k( 54) = ( 0.5000000 0.4400000 0.0000000), wk = 0.0032051 k( 55) = ( 0.5000000 0.4600000 0.0000000), wk = 0.0032051 k( 56) = ( 0.5000000 0.4800000 0.0000000), wk = 0.0032051 k( 57) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032051 k( 58) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032051 k( 59) = ( 0.4833333 0.5000000 0.0000000), wk = 0.0032051 k( 60) = ( 0.4666667 0.5000000 0.0000000), wk = 0.0032051 k( 61) = ( 0.4500000 0.5000000 0.0000000), wk = 0.0032051 k( 62) = ( 0.4333333 0.5000000 0.0000000), wk = 0.0032051 k( 63) = ( 0.4166667 0.5000000 0.0000000), wk = 0.0032051 k( 64) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0032051 k( 65) = ( 0.3833333 0.5000000 -0.0000000), wk = 0.0032051 k( 66) = ( 0.3666667 0.5000000 0.0000000), wk = 0.0032051 k( 67) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0032051 k( 68) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0032051 k( 69) = ( 0.3166667 0.5000000 0.0000000), wk = 0.0032051 k( 70) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0032051 k( 71) = ( 0.2833333 0.5000000 -0.0000000), wk = 0.0032051 k( 72) = ( 0.2666667 0.5000000 0.0000000), wk = 0.0032051 k( 73) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0032051 k( 74) = ( 0.2333333 0.5000000 -0.0000000), wk = 0.0032051 k( 75) = ( 0.2166667 0.5000000 -0.0000000), wk = 0.0032051 k( 76) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0032051 k( 77) = ( 0.1833333 0.5000000 0.0000000), wk = 0.0032051 k( 78) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0032051 k( 79) = ( 0.1500000 0.5000000 0.0000000), wk = 0.0032051 k( 80) = ( 0.1333333 0.5000000 -0.0000000), wk = 0.0032051 k( 81) = ( 0.1166667 0.5000000 -0.0000000), wk = 0.0032051 k( 82) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0032051 k( 83) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0032051 k( 84) = ( 0.0666667 0.5000000 -0.0000000), wk = 0.0032051 k( 85) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0032051 k( 86) = ( 0.0333333 0.5000000 -0.0000000), wk = 0.0032051 k( 87) = ( 0.0166667 0.5000000 -0.0000000), wk = 0.0032051 k( 88) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032051 k( 89) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032051 k( 90) = ( 0.0000000 0.4800000 -0.0000000), wk = 0.0032051 k( 91) = ( 0.0000000 0.4600000 -0.0000000), wk = 0.0032051 k( 92) = ( 0.0000000 0.4400000 -0.0000000), wk = 0.0032051 k( 93) = ( 0.0000000 0.4200000 -0.0000000), wk = 0.0032051 k( 94) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0032051 k( 95) = ( 0.0000000 0.3800000 0.0000000), wk = 0.0032051 k( 96) = ( 0.0000000 0.3600000 -0.0000000), wk = 0.0032051 k( 97) = ( 0.0000000 0.3400000 -0.0000000), wk = 0.0032051 k( 98) = ( 0.0000000 0.3200000 0.0000000), wk = 0.0032051 k( 99) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0032051 k( 100) = ( 0.0000000 0.2800000 -0.0000000), wk = 0.0032051 k( 101) = ( 0.0000000 0.2600000 0.0000000), wk = 0.0032051 k( 102) = ( 0.0000000 0.2400000 -0.0000000), wk = 0.0032051 k( 103) = ( 0.0000000 0.2200000 -0.0000000), wk = 0.0032051 k( 104) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0032051 k( 105) = ( 0.0000000 0.1800000 -0.0000000), wk = 0.0032051 k( 106) = ( 0.0000000 0.1600000 0.0000000), wk = 0.0032051 k( 107) = ( 0.0000000 0.1400000 -0.0000000), wk = 0.0032051 k( 108) = ( 0.0000000 0.1200000 -0.0000000), wk = 0.0032051 k( 109) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0032051 k( 110) = ( 0.0000000 0.0800000 0.0000000), wk = 0.0032051 k( 111) = ( 0.0000000 0.0600000 -0.0000000), wk = 0.0032051 k( 112) = ( 0.0000000 0.0400000 0.0000000), wk = 0.0032051 k( 113) = ( 0.0000000 0.0200000 0.0000000), wk = 0.0032051 k( 114) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 116) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0032051 k( 117) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0032051 k( 118) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0032051 k( 119) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0032051 k( 120) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0032051 k( 121) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0032051 k( 122) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0032051 k( 123) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0032051 k( 124) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0032051 k( 125) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0032051 k( 126) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0032051 k( 127) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0032051 k( 128) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0032051 k( 129) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0032051 k( 130) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0032051 k( 131) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0032051 k( 132) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0032051 k( 133) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0032051 k( 134) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0032051 k( 135) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032051 k( 136) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032051 k( 137) = ( 0.0166667 0.0000000 0.5000000), wk = 0.0032051 k( 138) = ( 0.0333333 0.0000000 0.5000000), wk = 0.0032051 k( 139) = ( 0.0500000 -0.0000000 0.5000000), wk = 0.0032051 k( 140) = ( 0.0666667 -0.0000000 0.5000000), wk = 0.0032051 k( 141) = ( 0.0833333 0.0000000 0.5000000), wk = 0.0032051 k( 142) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0032051 k( 143) = ( 0.1166667 -0.0000000 0.5000000), wk = 0.0032051 k( 144) = ( 0.1333333 -0.0000000 0.5000000), wk = 0.0032051 k( 145) = ( 0.1500000 -0.0000000 0.5000000), wk = 0.0032051 k( 146) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0032051 k( 147) = ( 0.1833333 -0.0000000 0.5000000), wk = 0.0032051 k( 148) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0032051 k( 149) = ( 0.2166667 -0.0000000 0.5000000), wk = 0.0032051 k( 150) = ( 0.2333333 -0.0000000 0.5000000), wk = 0.0032051 k( 151) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0032051 k( 152) = ( 0.2666667 -0.0000000 0.5000000), wk = 0.0032051 k( 153) = ( 0.2833333 0.0000000 0.5000000), wk = 0.0032051 k( 154) = ( 0.3000000 -0.0000000 0.5000000), wk = 0.0032051 k( 155) = ( 0.3166667 -0.0000000 0.5000000), wk = 0.0032051 k( 156) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0032051 k( 157) = ( 0.3500000 -0.0000000 0.5000000), wk = 0.0032051 k( 158) = ( 0.3666667 -0.0000000 0.5000000), wk = 0.0032051 k( 159) = ( 0.3833333 -0.0000000 0.5000000), wk = 0.0032051 k( 160) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0032051 k( 161) = ( 0.4166667 -0.0000000 0.5000000), wk = 0.0032051 k( 162) = ( 0.4333333 -0.0000000 0.5000000), wk = 0.0032051 k( 163) = ( 0.4500000 -0.0000000 0.5000000), wk = 0.0032051 k( 164) = ( 0.4666667 -0.0000000 0.5000000), wk = 0.0032051 k( 165) = ( 0.4833333 -0.0000000 0.5000000), wk = 0.0032051 k( 166) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032051 k( 167) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032051 k( 168) = ( 0.5000000 0.0200000 0.5000000), wk = 0.0032051 k( 169) = ( 0.5000000 0.0400000 0.5000000), wk = 0.0032051 k( 170) = ( 0.5000000 0.0600000 0.5000000), wk = 0.0032051 k( 171) = ( 0.5000000 0.0800000 0.5000000), wk = 0.0032051 k( 172) = ( 0.5000000 0.1000000 0.5000000), wk = 0.0032051 k( 173) = ( 0.5000000 0.1200000 0.5000000), wk = 0.0032051 k( 174) = ( 0.5000000 0.1400000 0.5000000), wk = 0.0032051 k( 175) = ( 0.5000000 0.1600000 0.5000000), wk = 0.0032051 k( 176) = ( 0.5000000 0.1800000 0.5000000), wk = 0.0032051 k( 177) = ( 0.5000000 0.2000000 0.5000000), wk = 0.0032051 k( 178) = ( 0.5000000 0.2200000 0.5000000), wk = 0.0032051 k( 179) = ( 0.5000000 0.2400000 0.5000000), wk = 0.0032051 k( 180) = ( 0.5000000 0.2600000 0.5000000), wk = 0.0032051 k( 181) = ( 0.5000000 0.2800000 0.5000000), wk = 0.0032051 k( 182) = ( 0.5000000 0.3000000 0.5000000), wk = 0.0032051 k( 183) = ( 0.5000000 0.3200000 0.5000000), wk = 0.0032051 k( 184) = ( 0.5000000 0.3400000 0.5000000), wk = 0.0032051 k( 185) = ( 0.5000000 0.3600000 0.5000000), wk = 0.0032051 k( 186) = ( 0.5000000 0.3800000 0.5000000), wk = 0.0032051 k( 187) = ( 0.5000000 0.4000000 0.5000000), wk = 0.0032051 k( 188) = ( 0.5000000 0.4200000 0.5000000), wk = 0.0032051 k( 189) = ( 0.5000000 0.4400000 0.5000000), wk = 0.0032051 k( 190) = ( 0.5000000 0.4600000 0.5000000), wk = 0.0032051 k( 191) = ( 0.5000000 0.4800000 0.5000000), wk = 0.0032051 k( 192) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032051 k( 193) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032051 k( 194) = ( 0.4833333 0.5000000 0.5000000), wk = 0.0032051 k( 195) = ( 0.4666667 0.5000000 0.5000000), wk = 0.0032051 k( 196) = ( 0.4500000 0.5000000 0.5000000), wk = 0.0032051 k( 197) = ( 0.4333333 0.5000000 0.5000000), wk = 0.0032051 k( 198) = ( 0.4166667 0.5000000 0.5000000), wk = 0.0032051 k( 199) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0032051 k( 200) = ( 0.3833333 0.5000000 0.5000000), wk = 0.0032051 k( 201) = ( 0.3666667 0.5000000 0.5000000), wk = 0.0032051 k( 202) = ( 0.3500000 0.5000000 0.5000000), wk = 0.0032051 k( 203) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0032051 k( 204) = ( 0.3166667 0.5000000 0.5000000), wk = 0.0032051 k( 205) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0032051 k( 206) = ( 0.2833333 0.5000000 0.5000000), wk = 0.0032051 k( 207) = ( 0.2666667 0.5000000 0.5000000), wk = 0.0032051 k( 208) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0032051 k( 209) = ( 0.2333333 0.5000000 0.5000000), wk = 0.0032051 k( 210) = ( 0.2166667 0.5000000 0.5000000), wk = 0.0032051 k( 211) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0032051 k( 212) = ( 0.1833333 0.5000000 0.5000000), wk = 0.0032051 k( 213) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0032051 k( 214) = ( 0.1500000 0.5000000 0.5000000), wk = 0.0032051 k( 215) = ( 0.1333333 0.5000000 0.5000000), wk = 0.0032051 k( 216) = ( 0.1166667 0.5000000 0.5000000), wk = 0.0032051 k( 217) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0032051 k( 218) = ( 0.0833333 0.5000000 0.5000000), wk = 0.0032051 k( 219) = ( 0.0666667 0.5000000 0.5000000), wk = 0.0032051 k( 220) = ( 0.0500000 0.5000000 0.5000000), wk = 0.0032051 k( 221) = ( 0.0333333 0.5000000 0.5000000), wk = 0.0032051 k( 222) = ( 0.0166667 0.5000000 0.5000000), wk = 0.0032051 k( 223) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0032051 k( 224) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0032051 k( 225) = ( 0.0000000 0.4800000 0.5000000), wk = 0.0032051 k( 226) = ( 0.0000000 0.4600000 0.5000000), wk = 0.0032051 k( 227) = ( 0.0000000 0.4400000 0.5000000), wk = 0.0032051 k( 228) = ( 0.0000000 0.4200000 0.5000000), wk = 0.0032051 k( 229) = ( 0.0000000 0.4000000 0.5000000), wk = 0.0032051 k( 230) = ( 0.0000000 0.3800000 0.5000000), wk = 0.0032051 k( 231) = ( 0.0000000 0.3600000 0.5000000), wk = 0.0032051 k( 232) = ( 0.0000000 0.3400000 0.5000000), wk = 0.0032051 k( 233) = ( 0.0000000 0.3200000 0.5000000), wk = 0.0032051 k( 234) = ( 0.0000000 0.3000000 0.5000000), wk = 0.0032051 k( 235) = ( 0.0000000 0.2800000 0.5000000), wk = 0.0032051 k( 236) = ( 0.0000000 0.2600000 0.5000000), wk = 0.0032051 k( 237) = ( 0.0000000 0.2400000 0.5000000), wk = 0.0032051 k( 238) = ( 0.0000000 0.2200000 0.5000000), wk = 0.0032051 k( 239) = ( 0.0000000 0.2000000 0.5000000), wk = 0.0032051 k( 240) = ( 0.0000000 0.1800000 0.5000000), wk = 0.0032051 k( 241) = ( 0.0000000 0.1600000 0.5000000), wk = 0.0032051 k( 242) = ( 0.0000000 0.1400000 0.5000000), wk = 0.0032051 k( 243) = ( 0.0000000 0.1200000 0.5000000), wk = 0.0032051 k( 244) = ( 0.0000000 0.1000000 0.5000000), wk = 0.0032051 k( 245) = ( 0.0000000 0.0800000 0.5000000), wk = 0.0032051 k( 246) = ( 0.0000000 0.0600000 0.5000000), wk = 0.0032051 k( 247) = ( 0.0000000 0.0400000 0.5000000), wk = 0.0032051 k( 248) = ( 0.0000000 0.0200000 0.5000000), wk = 0.0032051 k( 249) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032051 k( 250) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032051 k( 251) = ( 0.0000000 0.5000000 0.0250000), wk = 0.0032051 k( 252) = ( 0.0000000 0.5000000 0.0500000), wk = 0.0032051 k( 253) = ( 0.0000000 0.5000000 0.0750000), wk = 0.0032051 k( 254) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0032051 k( 255) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0032051 k( 256) = ( 0.0000000 0.5000000 0.1500000), wk = 0.0032051 k( 257) = ( 0.0000000 0.5000000 0.1750000), wk = 0.0032051 k( 258) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0032051 k( 259) = ( 0.0000000 0.5000000 0.2250000), wk = 0.0032051 k( 260) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0032051 k( 261) = ( 0.0000000 0.5000000 0.2750000), wk = 0.0032051 k( 262) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0032051 k( 263) = ( 0.0000000 0.5000000 0.3250000), wk = 0.0032051 k( 264) = ( 0.0000000 0.5000000 0.3500000), wk = 0.0032051 k( 265) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0032051 k( 266) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0032051 k( 267) = ( 0.0000000 0.5000000 0.4250000), wk = 0.0032051 k( 268) = ( 0.0000000 0.5000000 0.4500000), wk = 0.0032051 k( 269) = ( 0.0000000 0.5000000 0.4750000), wk = 0.0032051 k( 270) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0032051 k( 271) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032051 k( 272) = ( 0.5000000 0.0000000 0.4750000), wk = 0.0032051 k( 273) = ( 0.5000000 0.0000000 0.4500000), wk = 0.0032051 k( 274) = ( 0.5000000 0.0000000 0.4250000), wk = 0.0032051 k( 275) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0032051 k( 276) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0032051 k( 277) = ( 0.5000000 0.0000000 0.3500000), wk = 0.0032051 k( 278) = ( 0.5000000 0.0000000 0.3250000), wk = 0.0032051 k( 279) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0032051 k( 280) = ( 0.5000000 0.0000000 0.2750000), wk = 0.0032051 k( 281) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0032051 k( 282) = ( 0.5000000 0.0000000 0.2250000), wk = 0.0032051 k( 283) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0032051 k( 284) = ( 0.5000000 0.0000000 0.1750000), wk = 0.0032051 k( 285) = ( 0.5000000 0.0000000 0.1500000), wk = 0.0032051 k( 286) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0032051 k( 287) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0032051 k( 288) = ( 0.5000000 0.0000000 0.0750000), wk = 0.0032051 k( 289) = ( 0.5000000 0.0000000 0.0500000), wk = 0.0032051 k( 290) = ( 0.5000000 0.0000000 0.0250000), wk = 0.0032051 k( 291) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0032051 k( 292) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032051 k( 293) = ( 0.5000000 0.5000000 0.0250000), wk = 0.0032051 k( 294) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0032051 k( 295) = ( 0.5000000 0.5000000 0.0750000), wk = 0.0032051 k( 296) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0032051 k( 297) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0032051 k( 298) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0032051 k( 299) = ( 0.5000000 0.5000000 0.1750000), wk = 0.0032051 k( 300) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0032051 k( 301) = ( 0.5000000 0.5000000 0.2250000), wk = 0.0032051 k( 302) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0032051 k( 303) = ( 0.5000000 0.5000000 0.2750000), wk = 0.0032051 k( 304) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0032051 k( 305) = ( 0.5000000 0.5000000 0.3250000), wk = 0.0032051 k( 306) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0032051 k( 307) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0032051 k( 308) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0032051 k( 309) = ( 0.5000000 0.5000000 0.4250000), wk = 0.0032051 k( 310) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0032051 k( 311) = ( 0.5000000 0.5000000 0.4750000), wk = 0.0032051 k( 312) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032051 Dense grid: 499977 G-vectors FFT dimensions: ( 81, 100, 120) Smooth grid: 87573 G-vectors FFT dimensions: ( 45, 60, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.22 Mb ( 326, 44) NL pseudopotentials 0.29 Mb ( 163, 116) Each V/rho on FFT grid 0.25 Mb ( 16200) Each G-vector array 0.05 Mb ( 6945) G-vector shells 0.03 Mb ( 3424) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.88 Mb ( 326, 176) Each subspace H/S matrix 0.01 Mb ( 29, 29) Each matrix 0.16 Mb ( 116, 2, 44) The potential is recalculated from file : ./Zr3Cd2.save/charge-density.dat Starting wfc are 90 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.2 secs Computing kpt #: 2 total cpu time spent up to now is 6.1 secs Computing kpt #: 3 total cpu time spent up to now is 7.8 secs Computing kpt #: 4 total cpu time spent up to now is 9.3 secs Computing kpt #: 5 total cpu time spent up to now is 10.7 secs Computing kpt #: 6 total cpu time spent up to now is 12.0 secs Computing kpt #: 7 total cpu time spent up to now is 13.6 secs Computing kpt #: 8 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 16.3 secs Computing kpt #: 9 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 18.8 secs Computing kpt #: 10 total cpu time spent up to now is 21.1 secs Computing kpt #: 11 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 23.7 secs Computing kpt #: 12 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 26.4 secs Computing kpt #: 13 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 29.0 secs Computing kpt #: 14 total cpu time spent up to now is 31.4 secs Computing kpt #: 15 total cpu time spent up to now is 32.9 secs Computing kpt #: 16 total cpu time spent up to now is 34.3 secs Computing kpt #: 17 total cpu time spent up to now is 35.6 secs Computing kpt #: 18 total cpu time spent up to now is 36.9 secs Computing kpt #: 19 total cpu time spent up to now is 38.1 secs Computing kpt #: 20 total cpu time spent up to now is 39.3 secs Computing kpt #: 21 total cpu time spent up to now is 40.4 secs Computing kpt #: 22 total cpu time spent up to now is 41.6 secs Computing kpt #: 23 total cpu time spent up to now is 42.7 secs Computing kpt #: 24 total cpu time spent up to now is 44.0 secs Computing kpt #: 25 total cpu time spent up to now is 46.3 secs Computing kpt #: 26 total cpu time spent up to now is 47.7 secs Computing kpt #: 27 total cpu time spent up to now is 49.1 secs Computing kpt #: 28 total cpu time spent up to now is 50.7 secs Computing kpt #: 29 total cpu time spent up to now is 52.4 secs Computing kpt #: 30 total cpu time spent up to now is 54.2 secs Computing kpt #: 31 total cpu time spent up to now is 55.8 secs Computing kpt #: 32 total cpu time spent up to now is 57.5 secs Computing kpt #: 33 total cpu time spent up to now is 59.1 secs Computing kpt #: 34 total cpu time spent up to now is 60.7 secs Computing kpt #: 35 total cpu time spent up to now is 62.6 secs Computing kpt #: 36 total cpu time spent up to now is 64.5 secs Computing kpt #: 37 total cpu time spent up to now is 66.1 secs Computing kpt #: 38 total cpu time spent up to now is 67.9 secs Computing kpt #: 39 total cpu time spent up to now is 69.3 secs Computing kpt #: 40 total cpu time spent up to now is 70.7 secs Computing kpt #: 41 total cpu time spent up to now is 72.0 secs Computing kpt #: 42 total cpu time spent up to now is 73.5 secs Computing kpt #: 43 total cpu time spent up to now is 74.9 secs Computing kpt #: 44 total cpu time spent up to now is 76.2 secs Computing kpt #: 45 total cpu time spent up to now is 77.4 secs Computing kpt #: 46 total cpu time spent up to now is 78.6 secs Computing kpt #: 47 total cpu time spent up to now is 79.8 secs Computing kpt #: 48 total cpu time spent up to now is 81.2 secs Computing kpt #: 49 total cpu time spent up to now is 82.7 secs Computing kpt #: 50 total cpu time spent up to now is 84.1 secs Computing kpt #: 51 total cpu time spent up to now is 85.6 secs Computing kpt #: 52 total cpu time spent up to now is 87.2 secs Computing kpt #: 53 total cpu time spent up to now is 88.9 secs Computing kpt #: 54 total cpu time spent up to now is 91.3 secs Computing kpt #: 55 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 94.0 secs Computing kpt #: 56 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 96.8 secs Computing kpt #: 57 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 99.5 secs Computing kpt #: 58 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 102.2 secs Computing kpt #: 59 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 104.8 secs Computing kpt #: 60 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 107.3 secs Computing kpt #: 61 total cpu time spent up to now is 109.6 secs Computing kpt #: 62 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 112.1 secs Computing kpt #: 63 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 114.5 secs Computing kpt #: 64 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 117.1 secs Computing kpt #: 65 total cpu time spent up to now is 118.4 secs Computing kpt #: 66 total cpu time spent up to now is 119.6 secs Computing kpt #: 67 total cpu time spent up to now is 120.7 secs Computing kpt #: 68 total cpu time spent up to now is 121.9 secs Computing kpt #: 69 total cpu time spent up to now is 123.0 secs Computing kpt #: 70 total cpu time spent up to now is 124.0 secs Computing kpt #: 71 total cpu time spent up to now is 125.0 secs Computing kpt #: 72 total cpu time spent up to now is 126.0 secs Computing kpt #: 73 total cpu time spent up to now is 127.0 secs Computing kpt #: 74 total cpu time spent up to now is 127.9 secs Computing kpt #: 75 total cpu time spent up to now is 128.8 secs Computing kpt #: 76 total cpu time spent up to now is 130.0 secs Computing kpt #: 77 total cpu time spent up to now is 131.4 secs Computing kpt #: 78 total cpu time spent up to now is 133.2 secs Computing kpt #: 79 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 135.5 secs Computing kpt #: 80 total cpu time spent up to now is 136.6 secs Computing kpt #: 81 total cpu time spent up to now is 137.9 secs Computing kpt #: 82 total cpu time spent up to now is 138.9 secs Computing kpt #: 83 total cpu time spent up to now is 139.9 secs Computing kpt #: 84 total cpu time spent up to now is 141.0 secs Computing kpt #: 85 total cpu time spent up to now is 141.9 secs Computing kpt #: 86 total cpu time spent up to now is 143.4 secs Computing kpt #: 87 total cpu time spent up to now is 144.4 secs Computing kpt #: 88 total cpu time spent up to now is 145.4 secs Computing kpt #: 89 total cpu time spent up to now is 146.4 secs Computing kpt #: 90 total cpu time spent up to now is 147.4 secs Computing kpt #: 91 total cpu time spent up to now is 148.3 secs Computing kpt #: 92 total cpu time spent up to now is 149.1 secs Computing kpt #: 93 total cpu time spent up to now is 150.1 secs Computing kpt #: 94 total cpu time spent up to now is 150.9 secs Computing kpt #: 95 total cpu time spent up to now is 151.8 secs Computing kpt #: 96 total cpu time spent up to now is 152.7 secs Computing kpt #: 97 total cpu time spent up to now is 153.8 secs Computing kpt #: 98 total cpu time spent up to now is 154.8 secs Computing kpt #: 99 total cpu time spent up to now is 155.7 secs Computing kpt #: 100 total cpu time spent up to now is 156.7 secs Computing kpt #: 101 total cpu time spent up to now is 157.7 secs Computing kpt #: 102 total cpu time spent up to now is 158.6 secs Computing kpt #: 103 total cpu time spent up to now is 159.7 secs Computing kpt #: 104 total cpu time spent up to now is 160.9 secs Computing kpt #: 105 total cpu time spent up to now is 161.9 secs Computing kpt #: 106 total cpu time spent up to now is 162.9 secs Computing kpt #: 107 total cpu time spent up to now is 164.2 secs Computing kpt #: 108 total cpu time spent up to now is 165.4 secs Computing kpt #: 109 total cpu time spent up to now is 167.1 secs Computing kpt #: 110 total cpu time spent up to now is 169.3 secs Computing kpt #: 111 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 171.6 secs Computing kpt #: 112 total cpu time spent up to now is 174.1 secs Computing kpt #: 113 total cpu time spent up to now is 175.7 secs Computing kpt #: 114 total cpu time spent up to now is 177.8 secs Computing kpt #: 115 total cpu time spent up to now is 180.0 secs Computing kpt #: 116 total cpu time spent up to now is 182.0 secs Computing kpt #: 117 total cpu time spent up to now is 184.4 secs Computing kpt #: 118 total cpu time spent up to now is 186.0 secs Computing kpt #: 119 total cpu time spent up to now is 187.7 secs Computing kpt #: 120 total cpu time spent up to now is 190.0 secs Computing kpt #: 121 total cpu time spent up to now is 191.7 secs Computing kpt #: 122 total cpu time spent up to now is 193.5 secs Computing kpt #: 123 total cpu time spent up to now is 195.5 secs Computing kpt #: 124 total cpu time spent up to now is 197.3 secs Computing kpt #: 125 total cpu time spent up to now is 198.9 secs Computing kpt #: 126 total cpu time spent up to now is 200.6 secs Computing kpt #: 127 total cpu time spent up to now is 202.3 secs Computing kpt #: 128 total cpu time spent up to now is 204.0 secs Computing kpt #: 129 total cpu time spent up to now is 205.7 secs Computing kpt #: 130 total cpu time spent up to now is 207.5 secs Computing kpt #: 131 total cpu time spent up to now is 209.8 secs Computing kpt #: 132 total cpu time spent up to now is 211.7 secs Computing kpt #: 133 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 214.3 secs Computing kpt #: 134 total cpu time spent up to now is 216.6 secs Computing kpt #: 135 total cpu time spent up to now is 218.2 secs Computing kpt #: 136 total cpu time spent up to now is 219.6 secs Computing kpt #: 137 total cpu time spent up to now is 221.3 secs Computing kpt #: 138 total cpu time spent up to now is 222.7 secs Computing kpt #: 139 total cpu time spent up to now is 224.1 secs Computing kpt #: 140 total cpu time spent up to now is 225.5 secs Computing kpt #: 141 total cpu time spent up to now is 227.2 secs Computing kpt #: 142 total cpu time spent up to now is 229.0 secs Computing kpt #: 143 total cpu time spent up to now is 230.8 secs Computing kpt #: 144 total cpu time spent up to now is 232.6 secs Computing kpt #: 145 total cpu time spent up to now is 234.2 secs Computing kpt #: 146 total cpu time spent up to now is 235.8 secs Computing kpt #: 147 total cpu time spent up to now is 237.4 secs Computing kpt #: 148 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 240.3 secs Computing kpt #: 149 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 243.2 secs Computing kpt #: 150 total cpu time spent up to now is 245.1 secs Computing kpt #: 151 total cpu time spent up to now is 246.8 secs Computing kpt #: 152 total cpu time spent up to now is 248.4 secs Computing kpt #: 153 total cpu time spent up to now is 249.8 secs Computing kpt #: 154 total cpu time spent up to now is 251.3 secs Computing kpt #: 155 total cpu time spent up to now is 252.8 secs Computing kpt #: 156 total cpu time spent up to now is 254.3 secs Computing kpt #: 157 total cpu time spent up to now is 255.5 secs Computing kpt #: 158 total cpu time spent up to now is 256.8 secs Computing kpt #: 159 total cpu time spent up to now is 258.9 secs Computing kpt #: 160 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 261.5 secs Computing kpt #: 161 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 264.1 secs Computing kpt #: 162 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 266.8 secs Computing kpt #: 163 total cpu time spent up to now is 268.7 secs Computing kpt #: 164 total cpu time spent up to now is 270.5 secs Computing kpt #: 165 total cpu time spent up to now is 271.8 secs Computing kpt #: 166 total cpu time spent up to now is 273.3 secs Computing kpt #: 167 total cpu time spent up to now is 274.8 secs Computing kpt #: 168 total cpu time spent up to now is 276.3 secs Computing kpt #: 169 total cpu time spent up to now is 277.9 secs Computing kpt #: 170 total cpu time spent up to now is 279.7 secs Computing kpt #: 171 total cpu time spent up to now is 281.5 secs Computing kpt #: 172 total cpu time spent up to now is 283.1 secs Computing kpt #: 173 total cpu time spent up to now is 285.0 secs Computing kpt #: 174 total cpu time spent up to now is 287.4 secs Computing kpt #: 175 total cpu time spent up to now is 289.8 secs Computing kpt #: 176 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 292.5 secs Computing kpt #: 177 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 295.2 secs Computing kpt #: 178 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 297.9 secs Computing kpt #: 179 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 300.6 secs Computing kpt #: 180 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 303.3 secs Computing kpt #: 181 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 305.9 secs Computing kpt #: 182 total cpu time spent up to now is 307.9 secs Computing kpt #: 183 total cpu time spent up to now is 309.4 secs Computing kpt #: 184 total cpu time spent up to now is 311.2 secs Computing kpt #: 185 total cpu time spent up to now is 312.7 secs Computing kpt #: 186 total cpu time spent up to now is 314.3 secs Computing kpt #: 187 total cpu time spent up to now is 316.2 secs Computing kpt #: 188 total cpu time spent up to now is 318.0 secs Computing kpt #: 189 total cpu time spent up to now is 320.1 secs Computing kpt #: 190 total cpu time spent up to now is 321.9 secs Computing kpt #: 191 total cpu time spent up to now is 324.1 secs Computing kpt #: 192 total cpu time spent up to now is 326.5 secs Computing kpt #: 193 total cpu time spent up to now is 328.8 secs Computing kpt #: 194 total cpu time spent up to now is 330.7 secs Computing kpt #: 195 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 333.4 secs Computing kpt #: 196 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 336.0 secs Computing kpt #: 197 total cpu time spent up to now is 338.1 secs Computing kpt #: 198 total cpu time spent up to now is 339.5 secs Computing kpt #: 199 total cpu time spent up to now is 341.0 secs Computing kpt #: 200 total cpu time spent up to now is 342.8 secs Computing kpt #: 201 total cpu time spent up to now is 344.8 secs Computing kpt #: 202 total cpu time spent up to now is 347.0 secs Computing kpt #: 203 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 350.0 secs Computing kpt #: 204 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 353.1 secs Computing kpt #: 205 total cpu time spent up to now is 355.1 secs Computing kpt #: 206 total cpu time spent up to now is 357.0 secs Computing kpt #: 207 total cpu time spent up to now is 358.5 secs Computing kpt #: 208 total cpu time spent up to now is 360.3 secs Computing kpt #: 209 total cpu time spent up to now is 362.0 secs Computing kpt #: 210 total cpu time spent up to now is 364.4 secs Computing kpt #: 211 total cpu time spent up to now is 366.2 secs Computing kpt #: 212 total cpu time spent up to now is 367.7 secs Computing kpt #: 213 total cpu time spent up to now is 369.0 secs Computing kpt #: 214 total cpu time spent up to now is 370.3 secs Computing kpt #: 215 total cpu time spent up to now is 371.5 secs Computing kpt #: 216 total cpu time spent up to now is 372.9 secs Computing kpt #: 217 total cpu time spent up to now is 373.8 secs Computing kpt #: 218 total cpu time spent up to now is 374.8 secs Computing kpt #: 219 total cpu time spent up to now is 375.9 secs Computing kpt #: 220 total cpu time spent up to now is 376.7 secs Computing kpt #: 221 total cpu time spent up to now is 377.6 secs Computing kpt #: 222 total cpu time spent up to now is 378.4 secs Computing kpt #: 223 total cpu time spent up to now is 379.3 secs Computing kpt #: 224 total cpu time spent up to now is 380.1 secs Computing kpt #: 225 total cpu time spent up to now is 380.9 secs Computing kpt #: 226 total cpu time spent up to now is 381.9 secs Computing kpt #: 227 total cpu time spent up to now is 382.8 secs Computing kpt #: 228 total cpu time spent up to now is 383.6 secs Computing kpt #: 229 total cpu time spent up to now is 384.5 secs Computing kpt #: 230 total cpu time spent up to now is 385.4 secs Computing kpt #: 231 total cpu time spent up to now is 386.3 secs Computing kpt #: 232 total cpu time spent up to now is 387.2 secs Computing kpt #: 233 total cpu time spent up to now is 388.0 secs Computing kpt #: 234 total cpu time spent up to now is 389.0 secs Computing kpt #: 235 total cpu time spent up to now is 390.0 secs Computing kpt #: 236 total cpu time spent up to now is 391.0 secs Computing kpt #: 237 total cpu time spent up to now is 392.2 secs Computing kpt #: 238 total cpu time spent up to now is 393.5 secs Computing kpt #: 239 total cpu time spent up to now is 394.6 secs Computing kpt #: 240 total cpu time spent up to now is 396.0 secs Computing kpt #: 241 total cpu time spent up to now is 397.3 secs Computing kpt #: 242 total cpu time spent up to now is 398.6 secs Computing kpt #: 243 total cpu time spent up to now is 399.9 secs Computing kpt #: 244 total cpu time spent up to now is 401.2 secs Computing kpt #: 245 total cpu time spent up to now is 402.5 secs Computing kpt #: 246 total cpu time spent up to now is 404.0 secs Computing kpt #: 247 total cpu time spent up to now is 405.7 secs Computing kpt #: 248 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 408.3 secs Computing kpt #: 249 total cpu time spent up to now is 409.2 secs Computing kpt #: 250 total cpu time spent up to now is 410.3 secs Computing kpt #: 251 total cpu time spent up to now is 412.1 secs Computing kpt #: 252 total cpu time spent up to now is 413.2 secs Computing kpt #: 253 total cpu time spent up to now is 414.4 secs Computing kpt #: 254 total cpu time spent up to now is 415.6 secs Computing kpt #: 255 total cpu time spent up to now is 416.8 secs Computing kpt #: 256 total cpu time spent up to now is 418.0 secs Computing kpt #: 257 total cpu time spent up to now is 419.1 secs Computing kpt #: 258 total cpu time spent up to now is 420.2 secs Computing kpt #: 259 total cpu time spent up to now is 421.4 secs Computing kpt #: 260 total cpu time spent up to now is 422.6 secs Computing kpt #: 261 total cpu time spent up to now is 423.6 secs Computing kpt #: 262 total cpu time spent up to now is 424.7 secs Computing kpt #: 263 total cpu time spent up to now is 425.8 secs Computing kpt #: 264 total cpu time spent up to now is 426.7 secs Computing kpt #: 265 total cpu time spent up to now is 427.6 secs Computing kpt #: 266 total cpu time spent up to now is 428.5 secs Computing kpt #: 267 total cpu time spent up to now is 429.3 secs Computing kpt #: 268 total cpu time spent up to now is 430.3 secs Computing kpt #: 269 total cpu time spent up to now is 431.2 secs Computing kpt #: 270 total cpu time spent up to now is 432.0 secs Computing kpt #: 271 total cpu time spent up to now is 433.5 secs Computing kpt #: 272 total cpu time spent up to now is 435.0 secs Computing kpt #: 273 total cpu time spent up to now is 437.1 secs Computing kpt #: 274 total cpu time spent up to now is 439.5 secs Computing kpt #: 275 total cpu time spent up to now is 441.4 secs Computing kpt #: 276 total cpu time spent up to now is 443.2 secs Computing kpt #: 277 total cpu time spent up to now is 445.3 secs Computing kpt #: 278 total cpu time spent up to now is 447.2 secs Computing kpt #: 279 total cpu time spent up to now is 448.5 secs Computing kpt #: 280 total cpu time spent up to now is 449.8 secs Computing kpt #: 281 total cpu time spent up to now is 451.0 secs Computing kpt #: 282 total cpu time spent up to now is 452.3 secs Computing kpt #: 283 total cpu time spent up to now is 453.7 secs Computing kpt #: 284 total cpu time spent up to now is 454.9 secs Computing kpt #: 285 total cpu time spent up to now is 456.3 secs Computing kpt #: 286 total cpu time spent up to now is 457.8 secs Computing kpt #: 287 total cpu time spent up to now is 459.8 secs Computing kpt #: 288 total cpu time spent up to now is 461.6 secs Computing kpt #: 289 total cpu time spent up to now is 463.7 secs Computing kpt #: 290 total cpu time spent up to now is 465.5 secs Computing kpt #: 291 total cpu time spent up to now is 467.2 secs Computing kpt #: 292 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 469.9 secs Computing kpt #: 293 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 472.5 secs Computing kpt #: 294 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 475.4 secs Computing kpt #: 295 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 478.2 secs Computing kpt #: 296 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 481.0 secs Computing kpt #: 297 total cpu time spent up to now is 482.7 secs Computing kpt #: 298 total cpu time spent up to now is 484.4 secs Computing kpt #: 299 total cpu time spent up to now is 486.2 secs Computing kpt #: 300 total cpu time spent up to now is 488.2 secs Computing kpt #: 301 total cpu time spent up to now is 490.0 secs Computing kpt #: 302 total cpu time spent up to now is 491.4 secs Computing kpt #: 303 total cpu time spent up to now is 493.0 secs Computing kpt #: 304 total cpu time spent up to now is 494.5 secs Computing kpt #: 305 total cpu time spent up to now is 496.2 secs Computing kpt #: 306 total cpu time spent up to now is 497.5 secs Computing kpt #: 307 total cpu time spent up to now is 499.4 secs Computing kpt #: 308 total cpu time spent up to now is 501.2 secs Computing kpt #: 309 total cpu time spent up to now is 503.2 secs Computing kpt #: 310 total cpu time spent up to now is 505.4 secs Computing kpt #: 311 total cpu time spent up to now is 507.6 secs Computing kpt #: 312 total cpu time spent up to now is 509.7 secs ethr = 2.78E-08, avg # of iterations = 57.5 total cpu time spent up to now is 509.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 10921 PWs) bands (ev): -7.4194 -7.4194 -6.9717 -6.9717 -6.8192 -6.8192 -6.6867 -6.6867 -6.6348 -6.6348 -6.3930 -6.3930 -6.1421 -6.1421 -5.9765 -5.9765 -5.9203 -5.9203 -5.8837 -5.8837 -2.7247 -2.7247 -0.3053 -0.3053 0.5895 0.5895 0.6315 0.6315 0.7354 0.7354 0.9740 0.9740 1.5977 1.5977 1.7393 1.7393 1.8365 1.8365 1.9070 1.9070 2.6987 2.6987 2.8974 2.8974 k = 0.0167-0.0000-0.0000 ( 10919 PWs) bands (ev): -7.4187 -7.4187 -6.9716 -6.9716 -6.8190 -6.8190 -6.6867 -6.6867 -6.6345 -6.6345 -6.3929 -6.3929 -6.1421 -6.1421 -5.9765 -5.9765 -5.9203 -5.9203 -5.8836 -5.8836 -2.7233 -2.7233 -0.3018 -0.3018 0.5906 0.5906 0.6336 0.6336 0.7369 0.7369 0.9755 0.9755 1.5970 1.5970 1.7397 1.7397 1.8373 1.8373 1.9019 1.9019 2.7040 2.7040 2.8914 2.8914 k = 0.0333-0.0000-0.0000 ( 10935 PWs) bands (ev): -7.4166 -7.4166 -6.9713 -6.9713 -6.8186 -6.8186 -6.6866 -6.6866 -6.6336 -6.6336 -6.3926 -6.3926 -6.1421 -6.1421 -5.9765 -5.9765 -5.9203 -5.9203 -5.8836 -5.8836 -2.7188 -2.7188 -0.2912 -0.2912 0.5939 0.5939 0.6396 0.6396 0.7414 0.7414 0.9800 0.9800 1.5951 1.5951 1.7410 1.7410 1.8395 1.8395 1.8870 1.8870 2.7189 2.7189 2.8728 2.8728 k = 0.0500-0.0000-0.0000 ( 10939 PWs) bands (ev): -7.4131 -7.4131 -6.9709 -6.9709 -6.8178 -6.8178 -6.6864 -6.6864 -6.6320 -6.6320 -6.3920 -6.3920 -6.1421 -6.1421 -5.9765 -5.9765 -5.9203 -5.9203 -5.8835 -5.8835 -2.7115 -2.7115 -0.2736 -0.2736 0.5994 0.5994 0.6497 0.6497 0.7488 0.7488 0.9877 0.9877 1.5919 1.5919 1.7431 1.7431 1.8431 1.8431 1.8637 1.8637 2.7402 2.7402 2.8423 2.8423 k = 0.0667-0.0000-0.0000 ( 10949 PWs) bands (ev): -7.4082 -7.4082 -6.9703 -6.9703 -6.8167 -6.8167 -6.6861 -6.6861 -6.6299 -6.6299 -6.3912 -6.3912 -6.1422 -6.1422 -5.9764 -5.9764 -5.9203 -5.9203 -5.8834 -5.8834 -2.7012 -2.7012 -0.2492 -0.2492 0.6071 0.6071 0.6638 0.6638 0.7590 0.7590 0.9983 0.9983 1.5876 1.5876 1.7460 1.7460 1.8322 1.8322 1.8493 1.8493 2.7504 2.7504 2.8151 2.8151 k = 0.0833-0.0000-0.0000 ( 10955 PWs) bands (ev): -7.4020 -7.4020 -6.9695 -6.9695 -6.8154 -6.8154 -6.6858 -6.6858 -6.6271 -6.6271 -6.3902 -6.3902 -6.1421 -6.1421 -5.9763 -5.9763 -5.9203 -5.9203 -5.8833 -5.8833 -2.6880 -2.6880 -0.2183 -0.2183 0.6170 0.6170 0.6818 0.6818 0.7720 0.7720 1.0121 1.0121 1.5824 1.5824 1.7496 1.7496 1.7968 1.7968 1.8557 1.8557 2.7064 2.7064 2.8332 2.8332 k = 0.1000-0.0000-0.0000 ( 10963 PWs) bands (ev): -7.3946 -7.3946 -6.9685 -6.9685 -6.8138 -6.8138 -6.6855 -6.6855 -6.6236 -6.6236 -6.3890 -6.3890 -6.1421 -6.1421 -5.9762 -5.9762 -5.9203 -5.9203 -5.8831 -5.8831 -2.6718 -2.6718 -0.1811 -0.1811 0.6291 0.6291 0.7037 0.7037 0.7875 0.7875 1.0289 1.0289 1.5764 1.5764 1.7538 1.7538 1.7573 1.7573 1.8638 1.8638 2.6333 2.6333 2.8723 2.8723 k = 0.1167-0.0000-0.0000 ( 10961 PWs) bands (ev): -7.3862 -7.3862 -6.9674 -6.9674 -6.8121 -6.8121 -6.6851 -6.6851 -6.6195 -6.6195 -6.3876 -6.3876 -6.1421 -6.1421 -5.9761 -5.9761 -5.9202 -5.9202 -5.8829 -5.8829 -2.6527 -2.6527 -0.1381 -0.1381 0.6434 0.6434 0.7293 0.7293 0.8054 0.8054 1.0488 1.0488 1.5699 1.5699 1.7154 1.7154 1.7585 1.7585 1.8734 1.8734 2.5483 2.5483 2.9161 2.9161 k = 0.1333-0.0000-0.0000 ( 10953 PWs) bands (ev): -7.3767 -7.3767 -6.9662 -6.9662 -6.8101 -6.8101 -6.6847 -6.6847 -6.6146 -6.6146 -6.3860 -6.3860 -6.1420 -6.1420 -5.9759 -5.9759 -5.9201 -5.9201 -5.8826 -5.8826 -2.6307 -2.6307 -0.0898 -0.0898 0.6598 0.6598 0.7584 0.7584 0.8255 0.8255 1.0717 1.0717 1.5630 1.5630 1.6724 1.6724 1.7634 1.7634 1.8845 1.8845 2.4568 2.4568 2.9556 2.9560 k = 0.1500-0.0000-0.0000 ( 10943 PWs) bands (ev): -7.3663 -7.3663 -6.9648 -6.9648 -6.8080 -6.8080 -6.6843 -6.6843 -6.6089 -6.6089 -6.3842 -6.3842 -6.1419 -6.1419 -5.9757 -5.9757 -5.9199 -5.9199 -5.8823 -5.8823 -2.6057 -2.6057 -0.0369 -0.0369 0.6784 0.6784 0.7908 0.7908 0.8475 0.8475 1.0974 1.0974 1.5555 1.5555 1.6299 1.6299 1.7682 1.7682 1.8968 1.8968 2.3624 2.3624 2.9674 2.9674 k = 0.1667-0.0000-0.0000 ( 10935 PWs) bands (ev): -7.3553 -7.3553 -6.9633 -6.9633 -6.8059 -6.8059 -6.6838 -6.6838 -6.6026 -6.6026 -6.3823 -6.3823 -6.1418 -6.1418 -5.9755 -5.9755 -5.9198 -5.9198 -5.8820 -5.8820 -2.5779 -2.5779 0.0198 0.0198 0.6991 0.6991 0.8255 0.8255 0.8716 0.8716 1.1256 1.1256 1.5449 1.5449 1.5917 1.5917 1.7721 1.7721 1.9105 1.9105 2.2688 2.2688 2.9623 2.9624 k = 0.1833-0.0000-0.0000 ( 10939 PWs) bands (ev): -7.3437 -7.3437 -6.9618 -6.9618 -6.8037 -6.8037 -6.6834 -6.6834 -6.5956 -6.5956 -6.3802 -6.3802 -6.1418 -6.1418 -5.9753 -5.9753 -5.9197 -5.9197 -5.8816 -5.8816 -2.5473 -2.5473 0.0792 0.0792 0.7218 0.7218 0.8608 0.8608 0.8989 0.8989 1.1557 1.1557 1.5214 1.5214 1.5688 1.5688 1.7742 1.7742 1.9253 1.9253 2.1800 2.1800 2.9382 2.9386 k = 0.2000-0.0000-0.0000 ( 10955 PWs) bands (ev): -7.3316 -7.3316 -6.9602 -6.9602 -6.8015 -6.8015 -6.6831 -6.6831 -6.5881 -6.5881 -6.3781 -6.3781 -6.1417 -6.1417 -5.9751 -5.9751 -5.9196 -5.9196 -5.8813 -5.8813 -2.5139 -2.5139 0.1399 0.1399 0.7466 0.7466 0.8928 0.8928 0.9322 0.9322 1.1865 1.1865 1.4852 1.4852 1.5626 1.5626 1.7727 1.7727 1.9412 1.9412 2.1012 2.1012 2.8936 2.8936 k = 0.2167-0.0000-0.0000 ( 10951 PWs) bands (ev): -7.3193 -7.3193 -6.9585 -6.9585 -6.7992 -6.7992 -6.6827 -6.6827 -6.5799 -6.5799 -6.3758 -6.3758 -6.1417 -6.1417 -5.9749 -5.9749 -5.9194 -5.9194 -5.8809 -5.8809 -2.4777 -2.4777 0.2004 0.2004 0.7732 0.7732 0.9191 0.9191 0.9728 0.9728 1.2159 1.2159 1.4469 1.4469 1.5642 1.5642 1.7655 1.7655 1.9578 1.9578 2.0392 2.0392 2.8425 2.8425 k = 0.2333-0.0000-0.0000 ( 10943 PWs) bands (ev): -7.3069 -7.3069 -6.9568 -6.9568 -6.7970 -6.7970 -6.6823 -6.6823 -6.5711 -6.5711 -6.3734 -6.3734 -6.1416 -6.1416 -5.9747 -5.9747 -5.9193 -5.9193 -5.8804 -5.8804 -2.4389 -2.4389 0.2583 0.2583 0.8016 0.8016 0.9406 0.9406 1.0179 1.0179 1.2405 1.2405 1.4105 1.4105 1.5713 1.5713 1.7527 1.7527 1.9735 1.9735 2.0015 2.0015 2.7878 2.7878 k = 0.2500-0.0000-0.0000 ( 10945 PWs) bands (ev): -7.2944 -7.2944 -6.9551 -6.9551 -6.7949 -6.7949 -6.6820 -6.6820 -6.5620 -6.5620 -6.3710 -6.3710 -6.1415 -6.1415 -5.9745 -5.9745 -5.9192 -5.9192 -5.8799 -5.8799 -2.3976 -2.3976 0.3112 0.3112 0.8315 0.8315 0.9582 0.9582 1.0643 1.0643 1.2558 1.2558 1.3789 1.3789 1.5838 1.5838 1.7410 1.7410 1.9763 1.9763 2.0008 2.0008 2.7300 2.7300 k = 0.2667-0.0000-0.0000 ( 10937 PWs) bands (ev): -7.2822 -7.2822 -6.9534 -6.9534 -6.7929 -6.7929 -6.6816 -6.6816 -6.5525 -6.5525 -6.3686 -6.3686 -6.1414 -6.1414 -5.9742 -5.9742 -5.9190 -5.9190 -5.8794 -5.8794 -2.3539 -2.3539 0.3555 0.3555 0.8629 0.8629 0.9722 0.9722 1.1073 1.1073 1.2590 1.2590 1.3561 1.3561 1.6018 1.6018 1.7411 1.7411 1.9807 1.9807 2.0189 2.0189 2.6695 2.6695 k = 0.2833-0.0000-0.0000 ( 10926 PWs) bands (ev): -7.2702 -7.2702 -6.9517 -6.9517 -6.7909 -6.7909 -6.6813 -6.6813 -6.5428 -6.5428 -6.3661 -6.3661 -6.1413 -6.1413 -5.9740 -5.9740 -5.9188 -5.9188 -5.8789 -5.8789 -2.3081 -2.3081 0.3873 0.3873 0.8953 0.8953 0.9827 0.9827 1.1393 1.1393 1.2521 1.2521 1.3497 1.3497 1.6250 1.6250 1.7583 1.7583 1.9992 1.9992 2.0398 2.0398 2.6067 2.6067 k = 0.3000-0.0000-0.0000 ( 10938 PWs) bands (ev): -7.2587 -7.2587 -6.9501 -6.9501 -6.7891 -6.7891 -6.6810 -6.6810 -6.5330 -6.5330 -6.3637 -6.3637 -6.1412 -6.1412 -5.9739 -5.9739 -5.9186 -5.9186 -5.8785 -5.8785 -2.2604 -2.2604 0.4027 0.4027 0.9284 0.9284 0.9904 0.9904 1.1515 1.1515 1.2421 1.2421 1.3688 1.3688 1.6534 1.6534 1.7886 1.7886 2.0318 2.0318 2.0642 2.0642 2.5417 2.5417 k = 0.3167-0.0000-0.0000 ( 10938 PWs) bands (ev): -7.2477 -7.2477 -6.9485 -6.9485 -6.7874 -6.7874 -6.6807 -6.6807 -6.5233 -6.5233 -6.3614 -6.3614 -6.1411 -6.1411 -5.9737 -5.9737 -5.9185 -5.9185 -5.8779 -5.8779 -2.2112 -2.2112 0.3989 0.3989 0.9604 0.9604 0.9978 0.9978 1.1457 1.1457 1.2369 1.2369 1.4122 1.4122 1.6865 1.6865 1.8231 1.8231 2.0680 2.0680 2.1049 2.1049 2.4750 2.4750 k = 0.3333-0.0000-0.0000 ( 10938 PWs) bands (ev): -7.2374 -7.2374 -6.9470 -6.9470 -6.7858 -6.7858 -6.6805 -6.6805 -6.5138 -6.5138 -6.3591 -6.3591 -6.1410 -6.1410 -5.9735 -5.9735 -5.9183 -5.9183 -5.8775 -5.8775 -2.1610 -2.1610 0.3757 0.3757 0.9807 0.9807 1.0162 1.0162 1.1303 1.1303 1.2416 1.2416 1.4708 1.4708 1.7236 1.7236 1.8551 1.8552 2.0935 2.0935 2.1778 2.1778 2.4070 2.4070 k = 0.3500-0.0000-0.0000 ( 10938 PWs) bands (ev): -7.2278 -7.2278 -6.9456 -6.9456 -6.7844 -6.7844 -6.6802 -6.6802 -6.5045 -6.5045 -6.3570 -6.3570 -6.1409 -6.1409 -5.9733 -5.9733 -5.9182 -5.9182 -5.8770 -5.8770 -2.1102 -2.1102 0.3359 0.3359 0.9846 0.9846 1.0505 1.0505 1.1121 1.1121 1.2573 1.2573 1.5381 1.5381 1.7639 1.7639 1.8824 1.8824 2.1149 2.1149 2.2739 2.2739 2.3388 2.3388 k = 0.3667-0.0000-0.0000 ( 10936 PWs) bands (ev): -7.2190 -7.2190 -6.9443 -6.9443 -6.7831 -6.7831 -6.6800 -6.6800 -6.4958 -6.4958 -6.3549 -6.3549 -6.1409 -6.1409 -5.9731 -5.9731 -5.9181 -5.9181 -5.8765 -5.8765 -2.0596 -2.0596 0.2842 0.2842 0.9831 0.9831 1.0816 1.0816 1.1020 1.1020 1.2823 1.2823 1.6109 1.6109 1.8061 1.8061 1.9056 1.9056 2.1340 2.1340 2.2693 2.2693 2.3892 2.3892 k = 0.3833-0.0000-0.0000 ( 10944 PWs) bands (ev): -7.2112 -7.2112 -6.9431 -6.9431 -6.7820 -6.7820 -6.6799 -6.6799 -6.4878 -6.4878 -6.3531 -6.3531 -6.1408 -6.1408 -5.9730 -5.9730 -5.9180 -5.9180 -5.8760 -5.8760 -2.0101 -2.0101 0.2259 0.2259 0.9794 0.9794 1.0711 1.0711 1.1367 1.1367 1.3141 1.3141 1.6874 1.6874 1.8491 1.8491 1.9259 1.9259 2.1474 2.1474 2.2057 2.2057 2.5169 2.5169 k = 0.4000-0.0000-0.0000 ( 10952 PWs) bands (ev): -7.2043 -7.2043 -6.9421 -6.9421 -6.7810 -6.7810 -6.6797 -6.6797 -6.4805 -6.4805 -6.3514 -6.3514 -6.1408 -6.1408 -5.9729 -5.9729 -5.9179 -5.9179 -5.8756 -5.8756 -1.9628 -1.9628 0.1656 0.1656 0.9747 0.9747 1.0556 1.0556 1.1783 1.1783 1.3507 1.3507 1.7662 1.7662 1.8914 1.8914 1.9444 1.9444 2.1194 2.1194 2.1831 2.1831 2.6545 2.6545 k = 0.4167-0.0000-0.0000 ( 10960 PWs) bands (ev): -7.1984 -7.1984 -6.9412 -6.9412 -6.7802 -6.7802 -6.6796 -6.6796 -6.4741 -6.4741 -6.3499 -6.3499 -6.1407 -6.1407 -5.9728 -5.9728 -5.9178 -5.9178 -5.8753 -5.8753 -1.9189 -1.9189 0.1073 0.1073 0.9694 0.9694 1.0421 1.0421 1.2185 1.2185 1.3907 1.3907 1.8451 1.8451 1.9320 1.9320 1.9612 1.9612 2.0592 2.0592 2.1942 2.1942 2.6060 2.6060 k = 0.4333-0.0000-0.0000 ( 10958 PWs) bands (ev): -7.1935 -7.1935 -6.9404 -6.9404 -6.7795 -6.7795 -6.6795 -6.6795 -6.4687 -6.4687 -6.3487 -6.3487 -6.1407 -6.1407 -5.9727 -5.9727 -5.9177 -5.9177 -5.8749 -5.8749 -1.8797 -1.8797 0.0543 0.0543 0.9643 0.9643 1.0311 1.0311 1.2552 1.2552 1.4327 1.4327 1.9143 1.9143 1.9604 1.9604 1.9823 1.9823 2.0117 2.0117 2.2068 2.2068 2.5523 2.5523 k = 0.4500-0.0000-0.0000 ( 10954 PWs) bands (ev): -7.1896 -7.1896 -6.9398 -6.9398 -6.7790 -6.7790 -6.6794 -6.6794 -6.4644 -6.4644 -6.3477 -6.3477 -6.1406 -6.1406 -5.9726 -5.9726 -5.9176 -5.9176 -5.8747 -5.8747 -1.8470 -1.8470 0.0096 0.0096 0.9597 0.9597 1.0226 1.0226 1.2863 1.2863 1.4757 1.4757 1.9120 1.9120 1.9685 1.9685 2.0132 2.0132 2.0436 2.0436 2.2175 2.2175 2.5061 2.5061 k = 0.4667-0.0000-0.0000 ( 10946 PWs) bands (ev): -7.1869 -7.1869 -6.9393 -6.9393 -6.7787 -6.7787 -6.6793 -6.6793 -6.4612 -6.4612 -6.3469 -6.3469 -6.1406 -6.1406 -5.9725 -5.9725 -5.9175 -5.9175 -5.8745 -5.8745 -1.8223 -1.8223 -0.0243 -0.0243 0.9561 0.9561 1.0167 1.0167 1.3099 1.3099 1.5168 1.5168 1.8626 1.8626 1.9873 1.9873 2.0297 2.0297 2.1232 2.1232 2.2256 2.2256 2.4653 2.4653 k = 0.4833-0.0000-0.0000 ( 10948 PWs) bands (ev): -7.1852 -7.1852 -6.9391 -6.9391 -6.7785 -6.7785 -6.6792 -6.6792 -6.4593 -6.4593 -6.3465 -6.3465 -6.1406 -6.1406 -5.9724 -5.9724 -5.9175 -5.9175 -5.8744 -5.8744 -1.8068 -1.8068 -0.0455 -0.0455 0.9537 0.9537 1.0132 1.0132 1.3247 1.3247 1.5500 1.5500 1.8224 1.8224 1.9974 1.9974 2.0423 2.0423 2.2033 2.2033 2.2316 2.2316 2.4060 2.4060 k = 0.5000-0.0000-0.0000 ( 10938 PWs) bands (ev): -7.1846 -7.1846 -6.9390 -6.9390 -6.7784 -6.7784 -6.6792 -6.6792 -6.4587 -6.4587 -6.3463 -6.3463 -6.1405 -6.1405 -5.9724 -5.9724 -5.9175 -5.9175 -5.8743 -5.8743 -1.8015 -1.8015 -0.0527 -0.0527 0.9530 0.9530 1.0120 1.0120 1.3297 1.3297 1.5638 1.5638 1.8061 1.8061 2.0007 2.0007 2.0468 2.0468 2.2297 2.2297 2.2592 2.2592 2.3559 2.3559 k = 0.5000-0.0000-0.0000 ( 10938 PWs) bands (ev): -7.1846 -7.1846 -6.9390 -6.9390 -6.7784 -6.7784 -6.6792 -6.6792 -6.4587 -6.4587 -6.3463 -6.3463 -6.1405 -6.1405 -5.9724 -5.9724 -5.9175 -5.9175 -5.8743 -5.8743 -1.8015 -1.8015 -0.0527 -0.0527 0.9530 0.9530 1.0120 1.0120 1.3297 1.3297 1.5638 1.5638 1.8061 1.8061 2.0007 2.0007 2.0468 2.0468 2.2297 2.2297 2.2592 2.2592 2.3559 2.3559 k = 0.5000 0.0163-0.0000 ( 10934 PWs) bands (ev): -7.1845 -7.1845 -6.9388 -6.9388 -6.7780 -6.7780 -6.6792 -6.6792 -6.4587 -6.4587 -6.3463 -6.3463 -6.1406 -6.1406 -5.9724 -5.9724 -5.9176 -5.9176 -5.8747 -5.8747 -1.8004 -1.8004 -0.0518 -0.0518 0.9474 0.9474 1.0009 1.0009 1.3298 1.3298 1.5791 1.5791 1.8066 1.8066 2.0013 2.0013 2.0471 2.0471 2.2292 2.2292 2.2582 2.2582 2.3562 2.3562 k = 0.5000 0.0325-0.0000 ( 10934 PWs) bands (ev): -7.1843 -7.1843 -6.9385 -6.9385 -6.7771 -6.7771 -6.6791 -6.6791 -6.4590 -6.4590 -6.3462 -6.3462 -6.1406 -6.1406 -5.9724 -5.9724 -5.9182 -5.9182 -5.8757 -5.8757 -1.7970 -1.7970 -0.0491 -0.0491 0.9191 0.9191 0.9842 0.9842 1.3303 1.3303 1.6203 1.6203 1.8081 1.8081 2.0031 2.0031 2.0480 2.0480 2.2276 2.2276 2.2553 2.2553 2.3569 2.3569 k = 0.5000 0.0488-0.0000 ( 10944 PWs) bands (ev): -7.1839 -7.1839 -6.9378 -6.9378 -6.7755 -6.7755 -6.6789 -6.6789 -6.4595 -6.4595 -6.3460 -6.3460 -6.1407 -6.1407 -5.9725 -5.9725 -5.9191 -5.9191 -5.8775 -5.8775 -1.7913 -1.7913 -0.0446 -0.0446 0.8601 0.8601 0.9789 0.9789 1.3312 1.3312 1.6776 1.6776 1.8107 1.8107 2.0061 2.0061 2.0497 2.0497 2.2247 2.2247 2.2511 2.2511 2.3578 2.3578 k = 0.5000 0.0650-0.0000 ( 10936 PWs) bands (ev): -7.1834 -7.1834 -6.9370 -6.9370 -6.7733 -6.7733 -6.6787 -6.6787 -6.4601 -6.4601 -6.3458 -6.3458 -6.1408 -6.1408 -5.9725 -5.9725 -5.9203 -5.9203 -5.8800 -5.8800 -1.7833 -1.7833 -0.0385 -0.0385 0.7845 0.7845 0.9791 0.9791 1.3324 1.3324 1.7431 1.7431 1.8141 1.8141 2.0103 2.0103 2.0524 2.0524 2.2205 2.2205 2.2464 2.2464 2.3588 2.3588 k = 0.5000 0.0813-0.0000 ( 10932 PWs) bands (ev): -7.1827 -7.1827 -6.9359 -6.9359 -6.7705 -6.7705 -6.6783 -6.6783 -6.4609 -6.4609 -6.3455 -6.3455 -6.1408 -6.1408 -5.9725 -5.9725 -5.9218 -5.9218 -5.8831 -5.8831 -1.7730 -1.7730 -0.0306 -0.0306 0.7003 0.7003 0.9813 0.9813 1.3340 1.3340 1.8104 1.8104 1.8193 1.8193 2.0158 2.0158 2.0564 2.0564 2.2149 2.2149 2.2417 2.2417 2.3598 2.3598 k = 0.5000 0.0975-0.0000 ( 10924 PWs) bands (ev): -7.1820 -7.1820 -6.9346 -6.9346 -6.7671 -6.7671 -6.6780 -6.6780 -6.4619 -6.4619 -6.3451 -6.3451 -6.1409 -6.1409 -5.9726 -5.9726 -5.9237 -5.9237 -5.8867 -5.8867 -1.7605 -1.7605 -0.0213 -0.0213 0.6116 0.6116 0.9847 0.9847 1.3360 1.3360 1.8233 1.8233 1.8782 1.8782 2.0226 2.0226 2.0630 2.0630 2.2081 2.2081 2.2374 2.2374 2.3605 2.3605 k = 0.5000 0.1138-0.0000 ( 10932 PWs) bands (ev): -7.1811 -7.1811 -6.9332 -6.9332 -6.7632 -6.7632 -6.6776 -6.6776 -6.4631 -6.4631 -6.3448 -6.3448 -6.1409 -6.1409 -5.9727 -5.9727 -5.9258 -5.9258 -5.8911 -5.8911 -1.7457 -1.7457 -0.0105 -0.0105 0.5204 0.5204 0.9889 0.9889 1.3382 1.3382 1.8292 1.8292 1.9382 1.9382 2.0312 2.0312 2.0748 2.0748 2.2007 2.2007 2.2334 2.2334 2.3612 2.3612 k = 0.5000 0.1301-0.0000 ( 10930 PWs) bands (ev): -7.1802 -7.1802 -6.9316 -6.9316 -6.7588 -6.7588 -6.6771 -6.6771 -6.4645 -6.4645 -6.3443 -6.3443 -6.1409 -6.1409 -5.9727 -5.9727 -5.9281 -5.9281 -5.8959 -5.8959 -1.7287 -1.7287 0.0016 0.0016 0.4281 0.4281 0.9938 0.9938 1.3407 1.3407 1.8355 1.8355 1.9832 1.9832 2.0420 2.0420 2.0984 2.0984 2.1931 2.1931 2.2297 2.2297 2.3617 2.3617 k = 0.5000 0.1463-0.0000 ( 10938 PWs) bands (ev): -7.1792 -7.1792 -6.9298 -6.9298 -6.7538 -6.7538 -6.6767 -6.6767 -6.4660 -6.4660 -6.3438 -6.3438 -6.1408 -6.1408 -5.9728 -5.9728 -5.9307 -5.9307 -5.9013 -5.9013 -1.7094 -1.7094 0.0147 0.0147 0.3356 0.3356 0.9992 0.9992 1.3434 1.3434 1.8422 1.8422 2.0086 2.0086 2.0536 2.0536 2.1390 2.1390 2.1860 2.1860 2.2265 2.2265 2.3620 2.3620 k = 0.5000 0.1626-0.0000 ( 10944 PWs) bands (ev): -7.1781 -7.1781 -6.9280 -6.9280 -6.7484 -6.7484 -6.6761 -6.6761 -6.4679 -6.4679 -6.3433 -6.3433 -6.1406 -6.1406 -5.9729 -5.9729 -5.9335 -5.9335 -5.9071 -5.9071 -1.6879 -1.6879 0.0286 0.0286 0.2439 0.2439 1.0050 1.0050 1.3463 1.3463 1.8489 1.8489 2.0218 2.0218 2.0645 2.0645 2.1764 2.1764 2.1919 2.1919 2.2248 2.2248 2.3623 2.3623 k = 0.5000 0.1788-0.0000 ( 10924 PWs) bands (ev): -7.1770 -7.1770 -6.9261 -6.9261 -6.7424 -6.7424 -6.6756 -6.6756 -6.4698 -6.4698 -6.3427 -6.3427 -6.1403 -6.1403 -5.9730 -5.9730 -5.9364 -5.9364 -5.9132 -5.9132 -1.6642 -1.6642 0.0422 0.0422 0.1542 0.1542 1.0112 1.0112 1.3493 1.3493 1.8556 1.8556 2.0303 2.0303 2.0751 2.0751 2.1720 2.1720 2.2164 2.2164 2.2500 2.2500 2.3626 2.3626 k = 0.5000 0.1951-0.0000 ( 10920 PWs) bands (ev): -7.1759 -7.1759 -6.9241 -6.9241 -6.7362 -6.7362 -6.6750 -6.6750 -6.4721 -6.4721 -6.3422 -6.3422 -6.1399 -6.1399 -5.9731 -5.9731 -5.9394 -5.9394 -5.9196 -5.9196 -1.6383 -1.6383 0.0416 0.0416 0.0807 0.0807 1.0176 1.0176 1.3523 1.3523 1.8617 1.8617 2.0371 2.0371 2.0859 2.0859 2.1672 2.1672 2.2158 2.2158 2.3011 2.3011 2.3628 2.3628 k = 0.5000 0.2113-0.0000 ( 10934 PWs) bands (ev): -7.1748 -7.1748 -6.9221 -6.9221 -6.7298 -6.7298 -6.6745 -6.6745 -6.4745 -6.4745 -6.3416 -6.3416 -6.1393 -6.1393 -5.9732 -5.9732 -5.9425 -5.9425 -5.9262 -5.9262 -1.6103 -1.6103 -0.0312 -0.0312 0.0815 0.0815 1.0241 1.0241 1.3555 1.3555 1.8671 1.8671 2.0430 2.0430 2.0968 2.0968 2.1632 2.1632 2.2148 2.2148 2.3505 2.3505 2.3638 2.3638 k = 0.5000 0.2276-0.0000 ( 10926 PWs) bands (ev): -7.1737 -7.1737 -6.9202 -6.9202 -6.7230 -6.7230 -6.6739 -6.6739 -6.4770 -6.4770 -6.3410 -6.3410 -6.1386 -6.1386 -5.9733 -5.9733 -5.9456 -5.9456 -5.9329 -5.9329 -1.5803 -1.5803 -0.1159 -0.1159 0.0963 0.0963 1.0307 1.0307 1.3586 1.3586 1.8715 1.8715 2.0487 2.0487 2.1079 2.1079 2.1601 2.1601 2.2151 2.2151 2.3625 2.3625 2.3989 2.3989 k = 0.5000 0.2439-0.0000 ( 10924 PWs) bands (ev): -7.1727 -7.1727 -6.9183 -6.9183 -6.7162 -6.7162 -6.6734 -6.6734 -6.4798 -6.4798 -6.3404 -6.3404 -6.1377 -6.1377 -5.9734 -5.9734 -5.9486 -5.9486 -5.9396 -5.9396 -1.5484 -1.5484 -0.1993 -0.1993 0.1121 0.1121 1.0371 1.0371 1.3617 1.3617 1.8748 1.8748 2.0541 2.0541 2.1190 2.1190 2.1576 2.1576 2.2175 2.2175 2.3628 2.3628 2.4424 2.4424 k = 0.5000 0.2601-0.0000 ( 10936 PWs) bands (ev): -7.1717 -7.1717 -6.9165 -6.9165 -6.7094 -6.7094 -6.6729 -6.6729 -6.4827 -6.4827 -6.3399 -6.3399 -6.1368 -6.1368 -5.9736 -5.9736 -5.9516 -5.9516 -5.9462 -5.9462 -1.5147 -1.5147 -0.2802 -0.2802 0.1278 0.1278 1.0434 1.0434 1.3646 1.3646 1.8769 1.8769 2.0592 2.0592 2.1299 2.1299 2.1554 2.1554 2.2226 2.2226 2.3629 2.3629 2.4824 2.4824 k = 0.5000 0.2764-0.0000 ( 10938 PWs) bands (ev): -7.1708 -7.1708 -6.9148 -6.9148 -6.7026 -6.7026 -6.6724 -6.6724 -6.4856 -6.4856 -6.3393 -6.3393 -6.1357 -6.1357 -5.9738 -5.9738 -5.9545 -5.9545 -5.9524 -5.9524 -1.4794 -1.4794 -0.3582 -0.3582 0.1429 0.1429 1.0493 1.0493 1.3675 1.3675 1.8778 1.8778 2.0642 2.0642 2.1400 2.1400 2.1535 2.1535 2.2309 2.2309 2.3629 2.3629 2.5187 2.5187 k = 0.5000 0.2926-0.0000 ( 10932 PWs) bands (ev): -7.1700 -7.1700 -6.9132 -6.9132 -6.6961 -6.6961 -6.6720 -6.6720 -6.4885 -6.4885 -6.3388 -6.3388 -6.1345 -6.1345 -5.9740 -5.9740 -5.9586 -5.9586 -5.9569 -5.9569 -1.4430 -1.4430 -0.4327 -0.4327 0.1572 0.1572 1.0549 1.0549 1.3701 1.3701 1.8777 1.8777 2.0688 2.0688 2.1461 2.1461 2.1545 2.1545 2.2422 2.2422 2.3630 2.3630 2.5512 2.5512 k = 0.5000 0.3089-0.0000 ( 10952 PWs) bands (ev): -7.1692 -7.1692 -6.9118 -6.9118 -6.6900 -6.6900 -6.6716 -6.6716 -6.4914 -6.4914 -6.3384 -6.3384 -6.1334 -6.1334 -5.9745 -5.9745 -5.9639 -5.9639 -5.9595 -5.9595 -1.4058 -1.4058 -0.5031 -0.5031 0.1703 0.1703 1.0599 1.0599 1.3726 1.3726 1.8769 1.8769 2.0730 2.0730 2.1450 2.1450 2.1616 2.1616 2.2563 2.2563 2.3630 2.3630 2.5798 2.5798 k = 0.5000 0.3252-0.0000 ( 10956 PWs) bands (ev): -7.1686 -7.1686 -6.9106 -6.9106 -6.6845 -6.6845 -6.6712 -6.6712 -6.4941 -6.4941 -6.3380 -6.3380 -6.1322 -6.1322 -5.9754 -5.9754 -5.9681 -5.9681 -5.9616 -5.9616 -1.3687 -1.3687 -0.5684 -0.5684 0.1819 0.1819 1.0644 1.0644 1.3747 1.3747 1.8756 1.8756 2.0770 2.0770 2.1421 2.1421 2.1692 2.1692 2.2723 2.2723 2.3629 2.3629 2.6044 2.6044 k = 0.5000 0.3414-0.0000 ( 10936 PWs) bands (ev): -7.1680 -7.1680 -6.9095 -6.9095 -6.6795 -6.6795 -6.6709 -6.6709 -6.4965 -6.4965 -6.3376 -6.3376 -6.1311 -6.1311 -5.9771 -5.9771 -5.9707 -5.9707 -5.9634 -5.9634 -1.3328 -1.3328 -0.6276 -0.6276 0.1918 0.1918 1.0681 1.0681 1.3765 1.3765 1.8742 1.8742 2.0805 2.0805 2.1389 2.1389 2.1757 2.1757 2.2890 2.2890 2.3628 2.3628 2.6249 2.6249 k = 0.5000 0.3577-0.0000 ( 10960 PWs) bands (ev): -7.1676 -7.1676 -6.9088 -6.9088 -6.6756 -6.6756 -6.6707 -6.6707 -6.4986 -6.4986 -6.3373 -6.3373 -6.1302 -6.1302 -5.9796 -5.9796 -5.9719 -5.9719 -5.9649 -5.9649 -1.2999 -1.2999 -0.6786 -0.6786 0.1998 0.1998 1.0711 1.0711 1.3780 1.3780 1.8727 1.8727 2.0836 2.0836 2.1360 2.1360 2.1810 2.1810 2.3049 2.3049 2.3625 2.3625 2.6413 2.6413 k = 0.5000 0.3739-0.0000 ( 10960 PWs) bands (ev): -7.1673 -7.1673 -6.9082 -6.9082 -6.6726 -6.6726 -6.6706 -6.6706 -6.5002 -6.5002 -6.3371 -6.3371 -6.1295 -6.1295 -5.9818 -5.9818 -5.9724 -5.9724 -5.9659 -5.9659 -1.2724 -1.2724 -0.7190 -0.7190 0.2056 0.2056 1.0733 1.0733 1.3791 1.3791 1.8716 1.8716 2.0860 2.0860 2.1336 2.1336 2.1848 2.1848 2.3184 2.3184 2.3621 2.3621 2.6535 2.6537 k = 0.5000 0.3902-0.0000 ( 10960 PWs) bands (ev): -7.1671 -7.1671 -6.9078 -6.9078 -6.6708 -6.6708 -6.6703 -6.6703 -6.5012 -6.5012 -6.3370 -6.3370 -6.1290 -6.1290 -5.9833 -5.9833 -5.9726 -5.9726 -5.9666 -5.9666 -1.2538 -1.2538 -0.7455 -0.7455 0.2091 0.2091 1.0747 1.0747 1.3797 1.3797 1.8708 1.8708 2.0876 2.0876 2.1319 2.1319 2.1871 2.1871 2.3276 2.3276 2.3616 2.3616 2.6646 2.6675 k = 0.5000 0.4064-0.0000 ( 10960 PWs) bands (ev): -7.1670 -7.1670 -6.9077 -6.9077 -6.6705 -6.6705 -6.6700 -6.6700 -6.5015 -6.5015 -6.3369 -6.3369 -6.1289 -6.1289 -5.9838 -5.9838 -5.9726 -5.9726 -5.9668 -5.9668 -1.2471 -1.2471 -0.7548 -0.7548 0.2103 0.2103 1.0751 1.0751 1.3799 1.3799 1.8705 1.8705 2.0881 2.0881 2.1314 2.1314 2.1879 2.1879 2.3309 2.3309 2.3614 2.3614 2.6647 2.6835 k = 0.5000 0.4064-0.0000 ( 10960 PWs) bands (ev): -7.1670 -7.1670 -6.9077 -6.9077 -6.6705 -6.6705 -6.6700 -6.6700 -6.5015 -6.5015 -6.3369 -6.3369 -6.1289 -6.1289 -5.9838 -5.9838 -5.9726 -5.9726 -5.9668 -5.9668 -1.2471 -1.2471 -0.7548 -0.7548 0.2103 0.2103 1.0751 1.0751 1.3799 1.3799 1.8705 1.8705 2.0881 2.0881 2.1314 2.1314 2.1879 2.1879 2.3309 2.3309 2.3614 2.3614 2.6642 2.6680 k = 0.4833 0.4064-0.0000 ( 10976 PWs) bands (ev): -7.1677 -7.1677 -6.9078 -6.9078 -6.6706 -6.6706 -6.6700 -6.6700 -6.5022 -6.5022 -6.3372 -6.3372 -6.1289 -6.1289 -5.9838 -5.9838 -5.9727 -5.9727 -5.9668 -5.9668 -1.2549 -1.2549 -0.7552 -0.7552 0.2202 0.2202 1.0755 1.0755 1.3789 1.3789 1.8583 1.8583 2.0832 2.0832 2.1289 2.1289 2.1947 2.1947 2.3299 2.3299 2.3541 2.3541 2.6608 2.6615 k = 0.4667 0.4064-0.0000 ( 10974 PWs) bands (ev): -7.1694 -7.1694 -6.9081 -6.9081 -6.6706 -6.6706 -6.6700 -6.6700 -6.5043 -6.5043 -6.3377 -6.3377 -6.1289 -6.1289 -5.9837 -5.9837 -5.9727 -5.9727 -5.9668 -5.9668 -1.2776 -1.2776 -0.7567 -0.7567 0.2490 0.2490 1.0765 1.0765 1.3758 1.3758 1.8251 1.8251 2.0692 2.0692 2.1208 2.1208 2.2115 2.2115 2.3240 2.3240 2.3368 2.3368 2.6555 2.6556 k = 0.4500 0.4064-0.0000 ( 10974 PWs) bands (ev): -7.1723 -7.1723 -6.9085 -6.9085 -6.6706 -6.6706 -6.6700 -6.6700 -6.5077 -6.5077 -6.3385 -6.3385 -6.1290 -6.1290 -5.9837 -5.9837 -5.9728 -5.9728 -5.9667 -5.9667 -1.3131 -1.3131 -0.7590 -0.7590 0.2941 0.2941 1.0782 1.0782 1.3712 1.3712 1.7778 1.7778 2.0475 2.0475 2.1073 2.1073 2.2303 2.2303 2.2981 2.2981 2.3291 2.3291 2.6541 2.6541 k = 0.4333 0.4064-0.0000 ( 10970 PWs) bands (ev): -7.1764 -7.1764 -6.9091 -6.9091 -6.6706 -6.6706 -6.6700 -6.6700 -6.5123 -6.5123 -6.3396 -6.3396 -6.1291 -6.1291 -5.9836 -5.9836 -5.9729 -5.9729 -5.9667 -5.9667 -1.3589 -1.3589 -0.7623 -0.7623 0.3516 0.3516 1.0802 1.0802 1.3659 1.3659 1.7220 1.7220 2.0195 2.0195 2.0892 2.0892 2.2373 2.2373 2.2680 2.2680 2.3258 2.3258 2.6601 2.6601 k = 0.4167 0.4064-0.0000 ( 10948 PWs) bands (ev): -7.1815 -7.1815 -6.9098 -6.9098 -6.6706 -6.6706 -6.6699 -6.6699 -6.5180 -6.5180 -6.3409 -6.3409 -6.1292 -6.1292 -5.9835 -5.9835 -5.9729 -5.9729 -5.9666 -5.9666 -1.4121 -1.4121 -0.7665 -0.7665 0.4170 0.4170 1.0823 1.0823 1.3615 1.3615 1.6611 1.6611 1.9871 1.9871 2.0673 2.0673 2.2028 2.2028 2.2658 2.2658 2.3229 2.3229 2.6754 2.6755 k = 0.4000 0.4064-0.0000 ( 10936 PWs) bands (ev): -7.1877 -7.1877 -6.9107 -6.9107 -6.6707 -6.6707 -6.6698 -6.6698 -6.5250 -6.5250 -6.3426 -6.3426 -6.1293 -6.1293 -5.9834 -5.9834 -5.9731 -5.9731 -5.9665 -5.9665 -1.4704 -1.4704 -0.7715 -0.7715 0.4851 0.4851 1.0841 1.0841 1.3598 1.3598 1.5972 1.5972 1.9520 1.9520 2.0427 2.0427 2.1503 2.1503 2.2685 2.2685 2.3200 2.3200 2.6989 2.6991 k = 0.3833 0.4064-0.0000 ( 10944 PWs) bands (ev): -7.1950 -7.1950 -6.9118 -6.9118 -6.6707 -6.6707 -6.6698 -6.6698 -6.5329 -6.5329 -6.3445 -6.3445 -6.1294 -6.1294 -5.9833 -5.9833 -5.9733 -5.9733 -5.9664 -5.9664 -1.5317 -1.5317 -0.7773 -0.7773 0.5498 0.5498 1.0851 1.0851 1.3636 1.3636 1.5320 1.5320 1.9160 1.9160 2.0161 2.0161 2.0900 2.0900 2.2681 2.2681 2.3161 2.3161 2.6173 2.6173 k = 0.3667 0.4064-0.0000 ( 10964 PWs) bands (ev): -7.2033 -7.2033 -6.9131 -6.9131 -6.6709 -6.6709 -6.6698 -6.6698 -6.5417 -6.5417 -6.3467 -6.3467 -6.1296 -6.1296 -5.9831 -5.9831 -5.9735 -5.9735 -5.9664 -5.9664 -1.5944 -1.5944 -0.7839 -0.7839 0.6046 0.6046 1.0848 1.0848 1.3756 1.3756 1.4665 1.4665 1.8809 1.8809 1.9878 1.9878 2.0247 2.0247 2.2655 2.2655 2.3105 2.3105 2.5324 2.5324 k = 0.3500 0.4064-0.0000 ( 10954 PWs) bands (ev): -7.2125 -7.2125 -6.9144 -6.9144 -6.6709 -6.6709 -6.6697 -6.6697 -6.5512 -6.5512 -6.3490 -6.3490 -6.1298 -6.1298 -5.9830 -5.9830 -5.9737 -5.9737 -5.9663 -5.9663 -1.6572 -1.6572 -0.7911 -0.7911 0.6430 0.6430 1.0827 1.0827 1.3901 1.3901 1.4090 1.4090 1.8483 1.8483 1.9527 1.9527 1.9648 1.9648 2.2615 2.2615 2.3028 2.3028 2.4669 2.4669 k = 0.3333 0.4064-0.0000 ( 10946 PWs) bands (ev): -7.2225 -7.2225 -6.9158 -6.9158 -6.6710 -6.6710 -6.6697 -6.6697 -6.5613 -6.5613 -6.3514 -6.3514 -6.1300 -6.1300 -5.9828 -5.9828 -5.9739 -5.9739 -5.9661 -5.9661 -1.7192 -1.7192 -0.7989 -0.7989 0.6605 0.6605 1.0779 1.0779 1.3341 1.3341 1.4304 1.4304 1.8199 1.8199 1.8979 1.8979 1.9326 1.9326 2.2547 2.2547 2.2939 2.2939 2.4207 2.4207 k = 0.3167 0.4064-0.0000 ( 10958 PWs) bands (ev): -7.2333 -7.2333 -6.9174 -6.9174 -6.6711 -6.6711 -6.6696 -6.6696 -6.5719 -6.5719 -6.3540 -6.3540 -6.1302 -6.1302 -5.9827 -5.9827 -5.9742 -5.9742 -5.9660 -5.9660 -1.7798 -1.7798 -0.8072 -0.8072 0.6561 0.6561 1.0699 1.0699 1.2712 1.2712 1.4564 1.4564 1.7966 1.7966 1.8627 1.8627 1.9037 1.9037 2.2419 2.2419 2.2879 2.2879 2.3916 2.3916 k = 0.3000 0.4064-0.0000 ( 10946 PWs) bands (ev): -7.2447 -7.2447 -6.9190 -6.9190 -6.6712 -6.6712 -6.6696 -6.6696 -6.5827 -6.5827 -6.3566 -6.3566 -6.1304 -6.1304 -5.9825 -5.9825 -5.9744 -5.9744 -5.9659 -5.9659 -1.8383 -1.8383 -0.8158 -0.8158 0.6318 0.6318 1.0580 1.0580 1.2099 1.2099 1.4625 1.4625 1.7777 1.7777 1.8669 1.8669 1.8765 1.8765 2.2239 2.2239 2.2872 2.2872 2.3752 2.3752 k = 0.2833 0.4064-0.0000 ( 10952 PWs) bands (ev): -7.2567 -7.2567 -6.9207 -6.9207 -6.6713 -6.6713 -6.6695 -6.6695 -6.5937 -6.5937 -6.3593 -6.3593 -6.1307 -6.1307 -5.9823 -5.9823 -5.9747 -5.9747 -5.9657 -5.9657 -1.8944 -1.8944 -0.8248 -0.8248 0.5911 0.5911 1.0418 1.0418 1.1510 1.1510 1.4427 1.4427 1.7640 1.7640 1.8476 1.8476 1.9150 1.9150 2.2063 2.2063 2.2912 2.2912 2.3673 2.3673 k = 0.2667 0.4064-0.0000 ( 10936 PWs) bands (ev): -7.2691 -7.2691 -6.9224 -6.9224 -6.6713 -6.6713 -6.6695 -6.6695 -6.6047 -6.6047 -6.3620 -6.3620 -6.1308 -6.1308 -5.9821 -5.9821 -5.9749 -5.9749 -5.9656 -5.9656 -1.9479 -1.9479 -0.8339 -0.8339 0.5380 0.5380 1.0211 1.0211 1.0953 1.0953 1.4069 1.4069 1.7567 1.7567 1.8212 1.8212 1.9821 1.9821 2.1977 2.1977 2.2992 2.2992 2.3659 2.3659 k = 0.2500 0.4064-0.0000 ( 10946 PWs) bands (ev): -7.2819 -7.2819 -6.9242 -6.9242 -6.6715 -6.6715 -6.6694 -6.6694 -6.6156 -6.6156 -6.3648 -6.3648 -6.1311 -6.1311 -5.9820 -5.9820 -5.9752 -5.9752 -5.9654 -5.9654 -1.9984 -1.9984 -0.8430 -0.8430 0.4762 0.4762 0.9950 0.9950 1.0446 1.0446 1.3657 1.3657 1.7553 1.7553 1.7960 1.7960 2.0375 2.0375 2.2125 2.2125 2.3132 2.3132 2.3723 2.3723 k = 0.2333 0.4064-0.0000 ( 10954 PWs) bands (ev): -7.2948 -7.2948 -6.9260 -6.9260 -6.6716 -6.6716 -6.6694 -6.6694 -6.6263 -6.6263 -6.3675 -6.3675 -6.1313 -6.1313 -5.9819 -5.9819 -5.9755 -5.9755 -5.9653 -5.9653 -2.0459 -2.0459 -0.8522 -0.8522 0.4087 0.4087 0.9611 0.9611 1.0019 1.0019 1.3247 1.3247 1.7574 1.7574 1.7739 1.7739 2.0567 2.0567 2.2494 2.2494 2.3373 2.3373 2.3990 2.3990 k = 0.2167 0.4064-0.0000 ( 10962 PWs) bands (ev): -7.3077 -7.3077 -6.9278 -6.9278 -6.6717 -6.6717 -6.6695 -6.6695 -6.6365 -6.6365 -6.3701 -6.3701 -6.1316 -6.1316 -5.9817 -5.9817 -5.9758 -5.9758 -5.9652 -5.9652 -2.0903 -2.0903 -0.8612 -0.8612 0.3384 0.3384 0.9201 0.9201 0.9676 0.9676 1.2864 1.2864 1.7454 1.7454 1.7717 1.7717 2.0525 2.0525 2.2736 2.2736 2.3594 2.3594 2.4743 2.4743 k = 0.2000 0.4064-0.0000 ( 10966 PWs) bands (ev): -7.3204 -7.3204 -6.9295 -6.9295 -6.6719 -6.6719 -6.6695 -6.6695 -6.6463 -6.6463 -6.3727 -6.3727 -6.1318 -6.1318 -5.9816 -5.9816 -5.9760 -5.9760 -5.9650 -5.9650 -2.1314 -2.1314 -0.8700 -0.8700 0.2675 0.2675 0.8773 0.8773 0.9375 0.9375 1.2515 1.2515 1.7247 1.7247 1.7832 1.7832 2.0407 2.0407 2.2841 2.2841 2.3757 2.3757 2.5837 2.5837 k = 0.1833 0.4064-0.0000 ( 10966 PWs) bands (ev): -7.3329 -7.3329 -6.9312 -6.9312 -6.6722 -6.6722 -6.6696 -6.6696 -6.6553 -6.6553 -6.3751 -6.3751 -6.1320 -6.1320 -5.9815 -5.9815 -5.9763 -5.9763 -5.9649 -5.9649 -2.1693 -2.1693 -0.8784 -0.8784 0.1979 0.1979 0.8358 0.8358 0.9093 0.9093 1.2201 1.2201 1.7046 1.7046 1.7984 1.7984 2.0268 2.0268 2.2890 2.2890 2.3916 2.3916 2.7049 2.7049 k = 0.1667 0.4064-0.0000 ( 10954 PWs) bands (ev): -7.3449 -7.3449 -6.9327 -6.9327 -6.6728 -6.6728 -6.6701 -6.6701 -6.6629 -6.6629 -6.3774 -6.3774 -6.1322 -6.1322 -5.9813 -5.9813 -5.9765 -5.9765 -5.9647 -5.9647 -2.2038 -2.2038 -0.8865 -0.8865 0.1309 0.1309 0.7969 0.7969 0.8824 0.8824 1.1922 1.1922 1.6860 1.6860 1.8156 1.8156 2.0129 2.0129 2.2916 2.2916 2.4081 2.4081 2.8291 2.8291 k = 0.1500 0.4064-0.0000 ( 10958 PWs) bands (ev): -7.3563 -7.3563 -6.9343 -6.9343 -6.6758 -6.6758 -6.6710 -6.6710 -6.6671 -6.6671 -6.3795 -6.3795 -6.1324 -6.1324 -5.9812 -5.9812 -5.9767 -5.9767 -5.9646 -5.9646 -2.2351 -2.2351 -0.8940 -0.8940 0.0678 0.0678 0.7611 0.7611 0.8570 0.8570 1.1674 1.1674 1.6689 1.6689 1.8341 1.8341 1.9996 1.9996 2.2929 2.2929 2.4252 2.4252 2.9480 2.9489 k = 0.1333 0.4064-0.0000 ( 10958 PWs) bands (ev): -7.3669 -7.3669 -6.9357 -6.9357 -6.6817 -6.6817 -6.6715 -6.6715 -6.6681 -6.6681 -6.3815 -6.3815 -6.1326 -6.1326 -5.9811 -5.9811 -5.9769 -5.9769 -5.9645 -5.9645 -2.2631 -2.2631 -0.9010 -0.9010 0.0096 0.0096 0.7287 0.7287 0.8335 0.8335 1.1457 1.1457 1.6535 1.6535 1.8530 1.8530 1.9874 1.9874 2.2936 2.2936 2.4423 2.4423 2.9574 2.9574 k = 0.1167 0.4064-0.0000 ( 10952 PWs) bands (ev): -7.3766 -7.3766 -6.9370 -6.9370 -6.6878 -6.6878 -6.6717 -6.6717 -6.6683 -6.6683 -6.3833 -6.3833 -6.1327 -6.1327 -5.9810 -5.9810 -5.9771 -5.9771 -5.9643 -5.9643 -2.2877 -2.2877 -0.9073 -0.9073 -0.0432 -0.0432 0.6999 0.6999 0.8120 0.8120 1.1269 1.1269 1.6398 1.6398 1.8717 1.8717 1.9764 1.9764 2.2940 2.2940 2.4590 2.4590 2.9598 2.9598 k = 0.1000 0.4064-0.0000 ( 10944 PWs) bands (ev): -7.3853 -7.3853 -6.9381 -6.9381 -6.6933 -6.6933 -6.6718 -6.6718 -6.6684 -6.6684 -6.3849 -6.3849 -6.1328 -6.1328 -5.9809 -5.9809 -5.9772 -5.9772 -5.9642 -5.9642 -2.3090 -2.3090 -0.9129 -0.9129 -0.0898 -0.0898 0.6747 0.6747 0.7929 0.7929 1.1108 1.1108 1.6278 1.6278 1.8895 1.8895 1.9668 1.9668 2.2941 2.2941 2.4747 2.4747 2.9616 2.9616 k = 0.0833 0.4064-0.0000 ( 10950 PWs) bands (ev): -7.3929 -7.3929 -6.9392 -6.9392 -6.6982 -6.6982 -6.6719 -6.6719 -6.6685 -6.6685 -6.3862 -6.3862 -6.1329 -6.1329 -5.9809 -5.9809 -5.9773 -5.9773 -5.9642 -5.9642 -2.3271 -2.3271 -0.9178 -0.9178 -0.1300 -0.1300 0.6533 0.6533 0.7764 0.7764 1.0974 1.0974 1.6176 1.6176 1.9057 1.9057 1.9586 1.9586 2.2941 2.2941 2.4890 2.4890 2.9629 2.9629 k = 0.0667 0.4064-0.0000 ( 10962 PWs) bands (ev): -7.3992 -7.3992 -6.9400 -6.9400 -6.7022 -6.7022 -6.6720 -6.6720 -6.6685 -6.6685 -6.3874 -6.3874 -6.1330 -6.1330 -5.9809 -5.9809 -5.9775 -5.9775 -5.9641 -5.9641 -2.3418 -2.3418 -0.9218 -0.9218 -0.1632 -0.1632 0.6357 0.6357 0.7626 0.7626 1.0864 1.0864 1.6092 1.6092 1.9199 1.9199 1.9519 1.9519 2.2941 2.2941 2.5014 2.5014 2.9638 2.9638 k = 0.0500 0.4064-0.0000 ( 10954 PWs) bands (ev): -7.4042 -7.4042 -6.9407 -6.9407 -6.7053 -6.7053 -6.6721 -6.6721 -6.6685 -6.6685 -6.3883 -6.3883 -6.1331 -6.1331 -5.9808 -5.9808 -5.9776 -5.9776 -5.9640 -5.9640 -2.3533 -2.3533 -0.9250 -0.9250 -0.1894 -0.1894 0.6220 0.6220 0.7518 0.7518 1.0780 1.0780 1.6027 1.6027 1.9315 1.9315 1.9467 1.9467 2.2940 2.2940 2.5115 2.5115 2.9644 2.9644 k = 0.0333 0.4064-0.0000 ( 10936 PWs) bands (ev): -7.4078 -7.4078 -6.9411 -6.9411 -6.7076 -6.7076 -6.6721 -6.6721 -6.6685 -6.6685 -6.3889 -6.3889 -6.1331 -6.1331 -5.9808 -5.9808 -5.9776 -5.9776 -5.9639 -5.9639 -2.3614 -2.3614 -0.9272 -0.9272 -0.2081 -0.2081 0.6121 0.6121 0.7440 0.7440 1.0720 1.0720 1.5980 1.5980 1.9399 1.9399 1.9431 1.9431 2.2940 2.2940 2.5190 2.5190 2.9648 2.9648 k = 0.0167 0.4064-0.0000 ( 10948 PWs) bands (ev): -7.4101 -7.4101 -6.9414 -6.9414 -6.7089 -6.7089 -6.6721 -6.6721 -6.6685 -6.6685 -6.3893 -6.3893 -6.1332 -6.1332 -5.9808 -5.9808 -5.9777 -5.9777 -5.9639 -5.9639 -2.3663 -2.3663 -0.9286 -0.9286 -0.2195 -0.2195 0.6062 0.6062 0.7393 0.7393 1.0684 1.0684 1.5952 1.5952 1.9404 1.9404 1.9456 1.9456 2.2939 2.2939 2.5237 2.5237 2.9650 2.9651 k = 0.0000 0.4064-0.0000 ( 10948 PWs) bands (ev): -7.4108 -7.4108 -6.9415 -6.9415 -6.7094 -6.7094 -6.6721 -6.6721 -6.6685 -6.6685 -6.3894 -6.3894 -6.1332 -6.1332 -5.9808 -5.9808 -5.9777 -5.9777 -5.9639 -5.9639 -2.3680 -2.3680 -0.9291 -0.9291 -0.2232 -0.2232 0.6042 0.6042 0.7377 0.7377 1.0672 1.0672 1.5942 1.5942 1.9397 1.9397 1.9474 1.9474 2.2939 2.2939 2.5252 2.5252 2.9651 2.9651 k = 0.0000 0.4064-0.0000 ( 10948 PWs) bands (ev): -7.4108 -7.4108 -6.9415 -6.9415 -6.7094 -6.7094 -6.6721 -6.6721 -6.6685 -6.6685 -6.3894 -6.3894 -6.1332 -6.1332 -5.9808 -5.9808 -5.9777 -5.9777 -5.9639 -5.9639 -2.3680 -2.3680 -0.9291 -0.9291 -0.2232 -0.2232 0.6042 0.6042 0.7377 0.7377 1.0672 1.0672 1.5942 1.5942 1.9397 1.9397 1.9474 1.9474 2.2939 2.2939 2.5252 2.5252 2.9651 2.9651 k = 0.0000 0.3902-0.0000 ( 10952 PWs) bands (ev): -7.4109 -7.4109 -6.9416 -6.9416 -6.7103 -6.7103 -6.6720 -6.6720 -6.6681 -6.6681 -6.3894 -6.3894 -6.1333 -6.1333 -5.9803 -5.9803 -5.9777 -5.9777 -5.9637 -5.9637 -2.3702 -2.3702 -0.9241 -0.9241 -0.2234 -0.2234 0.6044 0.6044 0.7377 0.7377 1.0668 1.0668 1.5943 1.5943 1.9377 1.9377 1.9474 1.9474 2.2928 2.2928 2.5257 2.5257 2.9652 2.9652 k = 0.0000 0.3739-0.0000 ( 10954 PWs) bands (ev): -7.4110 -7.4110 -6.9420 -6.9420 -6.7129 -6.7129 -6.6718 -6.6718 -6.6669 -6.6669 -6.3894 -6.3894 -6.1337 -6.1337 -5.9789 -5.9789 -5.9776 -5.9776 -5.9632 -5.9632 -2.3766 -2.3766 -0.9093 -0.9093 -0.2240 -0.2240 0.6047 0.6047 0.7377 0.7377 1.0655 1.0655 1.5944 1.5944 1.9325 1.9325 1.9467 1.9467 2.2897 2.2897 2.5272 2.5272 2.9654 2.9654 k = 0.0000 0.3577-0.0000 ( 10956 PWs) bands (ev): -7.4111 -7.4111 -6.9426 -6.9426 -6.7169 -6.7169 -6.6718 -6.6718 -6.6648 -6.6648 -6.3895 -6.3895 -6.1343 -6.1343 -5.9776 -5.9776 -5.9765 -5.9765 -5.9622 -5.9622 -2.3870 -2.3870 -0.8850 -0.8850 -0.2250 -0.2250 0.6052 0.6052 0.7377 0.7377 1.0633 1.0633 1.5946 1.5946 1.9248 1.9248 1.9450 1.9450 2.2846 2.2846 2.5297 2.5297 2.9658 2.9658 k = 0.0000 0.3414-0.0000 ( 10960 PWs) bands (ev): -7.4113 -7.4113 -6.9434 -6.9434 -6.7218 -6.7218 -6.6721 -6.6721 -6.6623 -6.6623 -6.3896 -6.3896 -6.1351 -6.1351 -5.9775 -5.9775 -5.9735 -5.9735 -5.9609 -5.9609 -2.4009 -2.4009 -0.8517 -0.8517 -0.2263 -0.2263 0.6059 0.6059 0.7376 0.7376 1.0604 1.0604 1.5949 1.5949 1.9150 1.9150 1.9420 1.9420 2.2780 2.2780 2.5331 2.5331 2.9663 2.9663 k = 0.0000 0.3252-0.0000 ( 10962 PWs) bands (ev): -7.4116 -7.4116 -6.9444 -6.9444 -6.7273 -6.7273 -6.6726 -6.6726 -6.6596 -6.6596 -6.3897 -6.3897 -6.1360 -6.1360 -5.9775 -5.9775 -5.9697 -5.9697 -5.9592 -5.9592 -2.4177 -2.4177 -0.8101 -0.8101 -0.2278 -0.2278 0.6068 0.6068 0.7375 0.7375 1.0567 1.0567 1.5952 1.5952 1.9035 1.9035 1.9381 1.9381 2.2700 2.2700 2.5376 2.5376 2.9670 2.9670 k = 0.0000 0.3089-0.0000 ( 10956 PWs) bands (ev): -7.4119 -7.4119 -6.9456 -6.9456 -6.7333 -6.7333 -6.6732 -6.6732 -6.6569 -6.6569 -6.3898 -6.3898 -6.1369 -6.1369 -5.9774 -5.9774 -5.9655 -5.9655 -5.9570 -5.9570 -2.4368 -2.4368 -0.7610 -0.7610 -0.2295 -0.2295 0.6079 0.6079 0.7374 0.7374 1.0523 1.0523 1.5956 1.5956 1.8907 1.8907 1.9332 1.9332 2.2610 2.2610 2.5431 2.5431 2.9678 2.9678 k = 0.0000 0.2926-0.0000 ( 10942 PWs) bands (ev): -7.4123 -7.4123 -6.9469 -6.9469 -6.7396 -6.7396 -6.6739 -6.6739 -6.6542 -6.6542 -6.3899 -6.3899 -6.1379 -6.1379 -5.9773 -5.9773 -5.9609 -5.9609 -5.9543 -5.9543 -2.4576 -2.4576 -0.7052 -0.7052 -0.2311 -0.2311 0.6092 0.6092 0.7373 0.7373 1.0473 1.0473 1.5960 1.5960 1.8770 1.8770 1.9275 1.9275 2.2510 2.2510 2.5495 2.5495 2.9686 2.9686 k = 0.0000 0.2764-0.0000 ( 10954 PWs) bands (ev): -7.4128 -7.4128 -6.9484 -6.9484 -6.7462 -6.7462 -6.6747 -6.6747 -6.6518 -6.6518 -6.3901 -6.3901 -6.1388 -6.1388 -5.9772 -5.9772 -5.9567 -5.9567 -5.9509 -5.9509 -2.4796 -2.4796 -0.6437 -0.6437 -0.2325 -0.2325 0.6105 0.6105 0.7371 0.7371 1.0419 1.0419 1.5964 1.5964 1.8628 1.8628 1.9212 1.9212 2.2403 2.2403 2.5568 2.5568 2.9696 2.9696 k = 0.0000 0.2601-0.0000 ( 10954 PWs) bands (ev): -7.4132 -7.4132 -6.9501 -6.9501 -6.7528 -6.7528 -6.6756 -6.6756 -6.6495 -6.6495 -6.3903 -6.3903 -6.1397 -6.1397 -5.9772 -5.9772 -5.9529 -5.9529 -5.9463 -5.9463 -2.5022 -2.5022 -0.5775 -0.5775 -0.2331 -0.2331 0.6120 0.6120 0.7370 0.7370 1.0360 1.0360 1.5968 1.5968 1.8485 1.8485 1.9145 1.9145 2.2287 2.2287 2.5651 2.5651 2.9707 2.9707 k = 0.0000 0.2439-0.0000 ( 10960 PWs) bands (ev): -7.4137 -7.4137 -6.9518 -6.9518 -6.7594 -6.7594 -6.6765 -6.6765 -6.6474 -6.6474 -6.3905 -6.3905 -6.1405 -6.1405 -5.9771 -5.9771 -5.9497 -5.9497 -5.9410 -5.9410 -2.5250 -2.5250 -0.5082 -0.5082 -0.2320 -0.2320 0.6136 0.6136 0.7369 0.7369 1.0299 1.0299 1.5972 1.5972 1.8344 1.8344 1.9074 1.9074 2.2164 2.2164 2.5741 2.5741 2.9718 2.9718 k = 0.0000 0.2276-0.0000 ( 10934 PWs) bands (ev): -7.4142 -7.4142 -6.9536 -6.9536 -6.7660 -6.7660 -6.6775 -6.6775 -6.6455 -6.6455 -6.3906 -6.3906 -6.1412 -6.1412 -5.9770 -5.9770 -5.9466 -5.9466 -5.9352 -5.9352 -2.5476 -2.5476 -0.4387 -0.4387 -0.2269 -0.2269 0.6153 0.6153 0.7367 0.7367 1.0235 1.0235 1.5976 1.5976 1.8208 1.8208 1.9001 1.9001 2.2033 2.2033 2.5838 2.5838 2.9729 2.9729 k = 0.0000 0.2113-0.0000 ( 10924 PWs) bands (ev): -7.4147 -7.4147 -6.9555 -6.9555 -6.7724 -6.7724 -6.6784 -6.6784 -6.6437 -6.6437 -6.3908 -6.3908 -6.1417 -6.1417 -5.9769 -5.9769 -5.9436 -5.9436 -5.9294 -5.9294 -2.5696 -2.5696 -0.3753 -0.3753 -0.2121 -0.2121 0.6170 0.6170 0.7366 0.7366 1.0172 1.0172 1.5980 1.5980 1.8078 1.8078 1.8928 1.8928 2.1891 2.1891 2.5941 2.5941 2.9741 2.9741 k = 0.0000 0.1951-0.0000 ( 10932 PWs) bands (ev): -7.4153 -7.4153 -6.9574 -6.9574 -6.7786 -6.7786 -6.6794 -6.6794 -6.6422 -6.6422 -6.3911 -6.3911 -6.1421 -6.1421 -5.9769 -5.9769 -5.9407 -5.9407 -5.9236 -5.9236 -2.5907 -2.5907 -0.3299 -0.3299 -0.1764 -0.1764 0.6187 0.6187 0.7364 0.7364 1.0108 1.0108 1.5983 1.5983 1.7956 1.7956 1.8855 1.8855 2.1738 2.1738 2.6049 2.6049 2.9752 2.9752 k = 0.0000 0.1788-0.0000 ( 10930 PWs) bands (ev): -7.4158 -7.4158 -6.9592 -6.9592 -6.7845 -6.7845 -6.6804 -6.6804 -6.6409 -6.6409 -6.3913 -6.3913 -6.1424 -6.1424 -5.9768 -5.9768 -5.9379 -5.9379 -5.9180 -5.9180 -2.6108 -2.6108 -0.3077 -0.3077 -0.1150 -0.1150 0.6204 0.6204 0.7363 0.7363 1.0047 1.0047 1.5986 1.5986 1.7843 1.7843 1.8785 1.8785 2.1572 2.1572 2.6161 2.6161 2.9763 2.9763 k = 0.0000 0.1626-0.0000 ( 10934 PWs) bands (ev): -7.4163 -7.4163 -6.9611 -6.9611 -6.7901 -6.7901 -6.6814 -6.6814 -6.6397 -6.6397 -6.3915 -6.3915 -6.1426 -6.1426 -5.9768 -5.9768 -5.9352 -5.9352 -5.9126 -5.9126 -2.6297 -2.6297 -0.2993 -0.2993 -0.0381 -0.0381 0.6221 0.6221 0.7361 0.7361 0.9989 0.9989 1.5987 1.5987 1.7741 1.7741 1.8717 1.8717 2.1388 2.1388 2.6275 2.6275 2.9772 2.9772 k = 0.0000 0.1463-0.0000 ( 10948 PWs) bands (ev): -7.4169 -7.4169 -6.9629 -6.9629 -6.7954 -6.7954 -6.6823 -6.6823 -6.6387 -6.6387 -6.3918 -6.3918 -6.1428 -6.1428 -5.9768 -5.9768 -5.9327 -5.9327 -5.9076 -5.9076 -2.6471 -2.6471 -0.2968 -0.2968 0.0454 0.0454 0.6237 0.6237 0.7360 0.7360 0.9934 0.9934 1.5988 1.5988 1.7649 1.7649 1.8654 1.8654 2.1185 2.1186 2.6388 2.6388 2.9780 2.9780 k = 0.0000 0.1301-0.0000 ( 10966 PWs) bands (ev): -7.4174 -7.4174 -6.9646 -6.9646 -6.8002 -6.8002 -6.6832 -6.6832 -6.6379 -6.6379 -6.3921 -6.3921 -6.1428 -6.1428 -5.9768 -5.9768 -5.9303 -5.9303 -5.9029 -5.9029 -2.6629 -2.6629 -0.2968 -0.2968 0.1311 0.1311 0.6252 0.6252 0.7358 0.7358 0.9885 0.9885 1.5989 1.5989 1.7570 1.7570 1.8595 1.8595 2.0960 2.0960 2.6499 2.6499 2.9785 2.9785 k = 0.0000 0.1138-0.0000 ( 10960 PWs) bands (ev): -7.4178 -7.4178 -6.9661 -6.9661 -6.8045 -6.8045 -6.6840 -6.6840 -6.6371 -6.6371 -6.3923 -6.3923 -6.1428 -6.1428 -5.9767 -5.9767 -5.9281 -5.9281 -5.8986 -5.8986 -2.6771 -2.6771 -0.2978 -0.2978 0.2163 0.2163 0.6266 0.6266 0.7357 0.7357 0.9841 0.9841 1.5988 1.5988 1.7504 1.7504 1.8542 1.8542 2.0711 2.0711 2.6605 2.6605 2.9786 2.9786 k = 0.0000 0.0975-0.0000 ( 10961 PWs) bands (ev): -7.4182 -7.4182 -6.9676 -6.9676 -6.8083 -6.8083 -6.6847 -6.6847 -6.6365 -6.6365 -6.3925 -6.3925 -6.1427 -6.1427 -5.9767 -5.9767 -5.9262 -5.9262 -5.8948 -5.8948 -2.6896 -2.6896 -0.2993 -0.2993 0.2989 0.2989 0.6278 0.6278 0.7356 0.7356 0.9805 0.9805 1.5987 1.5987 1.7451 1.7451 1.8495 1.8495 2.0437 2.0437 2.6704 2.6704 2.9779 2.9779 k = 0.0000 0.0813-0.0000 ( 10949 PWs) bands (ev): -7.4186 -7.4186 -6.9688 -6.9688 -6.8116 -6.8116 -6.6853 -6.6853 -6.6359 -6.6359 -6.3926 -6.3926 -6.1426 -6.1426 -5.9766 -5.9766 -5.9245 -5.9245 -5.8915 -5.8915 -2.7002 -2.7002 -0.3008 -0.3008 0.3765 0.3765 0.6289 0.6289 0.7355 0.7355 0.9777 0.9777 1.5986 1.5986 1.7412 1.7412 1.8455 1.8455 2.0143 2.0143 2.6791 2.6791 2.9752 2.9752 k = 0.0000 0.0650-0.0000 ( 10941 PWs) bands (ev): -7.4189 -7.4189 -6.9698 -6.9698 -6.8143 -6.8143 -6.6858 -6.6858 -6.6355 -6.6355 -6.3927 -6.3927 -6.1425 -6.1425 -5.9766 -5.9766 -5.9230 -5.9230 -5.8887 -5.8887 -2.7090 -2.7090 -0.3023 -0.3023 0.4464 0.4464 0.6298 0.6298 0.7355 0.7355 0.9757 0.9757 1.5983 1.5983 1.7388 1.7388 1.8422 1.8422 1.9842 1.9842 2.6864 2.6864 2.9669 2.9669 k = 0.0000 0.0488-0.0000 ( 10929 PWs) bands (ev): -7.4191 -7.4191 -6.9706 -6.9706 -6.8164 -6.8164 -6.6862 -6.6862 -6.6352 -6.6352 -6.3928 -6.3928 -6.1423 -6.1423 -5.9765 -5.9765 -5.9219 -5.9219 -5.8865 -5.8865 -2.7159 -2.7159 -0.3036 -0.3036 0.5057 0.5057 0.6306 0.6306 0.7354 0.7354 0.9745 0.9745 1.5981 1.5981 1.7379 1.7379 1.8397 1.8397 1.9552 1.9552 2.6920 2.6920 2.9466 2.9466 k = 0.0000 0.0325-0.0000 ( 10935 PWs) bands (ev): -7.4193 -7.4193 -6.9712 -6.9712 -6.8180 -6.8180 -6.6865 -6.6865 -6.6350 -6.6350 -6.3929 -6.3929 -6.1423 -6.1423 -5.9765 -5.9765 -5.9211 -5.9211 -5.8850 -5.8850 -2.7208 -2.7208 -0.3045 -0.3045 0.5511 0.5511 0.6311 0.6311 0.7354 0.7354 0.9740 0.9740 1.5979 1.5979 1.7381 1.7381 1.8379 1.8379 1.9304 1.9304 2.6959 2.6959 2.9213 2.9213 k = 0.0000 0.0163-0.0000 ( 10927 PWs) bands (ev): -7.4194 -7.4194 -6.9716 -6.9716 -6.8189 -6.8189 -6.6867 -6.6867 -6.6348 -6.6348 -6.3930 -6.3930 -6.1422 -6.1422 -5.9765 -5.9765 -5.9205 -5.9205 -5.8840 -5.8840 -2.7237 -2.7237 -0.3051 -0.3051 0.5797 0.5797 0.6314 0.6314 0.7354 0.7354 0.9739 0.9739 1.5977 1.5977 1.7389 1.7389 1.8369 1.8369 1.9132 1.9132 2.6981 2.6981 2.9036 2.9036 k = 0.0000 0.0000 0.0000 ( 10921 PWs) bands (ev): -7.4194 -7.4194 -6.9717 -6.9717 -6.8192 -6.8192 -6.6867 -6.6867 -6.6348 -6.6348 -6.3930 -6.3930 -6.1421 -6.1421 -5.9765 -5.9765 -5.9203 -5.9203 -5.8837 -5.8837 -2.7247 -2.7247 -0.3053 -0.3053 0.5895 0.5895 0.6315 0.6315 0.7354 0.7354 0.9740 0.9740 1.5977 1.5977 1.7393 1.7393 1.8365 1.8365 1.9070 1.9070 2.6987 2.6987 2.8974 2.8974 k = 0.0000 0.0000 0.0000 ( 10921 PWs) bands (ev): -7.4194 -7.4194 -6.9717 -6.9717 -6.8192 -6.8192 -6.6867 -6.6867 -6.6348 -6.6348 -6.3930 -6.3930 -6.1421 -6.1421 -5.9765 -5.9765 -5.9203 -5.9203 -5.8837 -5.8837 -2.7247 -2.7247 -0.3053 -0.3053 0.5895 0.5895 0.6315 0.6315 0.7354 0.7354 0.9740 0.9740 1.5977 1.5977 1.7393 1.7393 1.8365 1.8365 1.9070 1.9070 2.6987 2.6987 2.8974 2.8974 k = 0.0000 0.0000 0.0169 ( 10921 PWs) bands (ev): -7.4194 -7.4194 -6.9717 -6.9717 -6.8192 -6.8192 -6.6867 -6.6867 -6.6348 -6.6348 -6.3930 -6.3930 -6.1421 -6.1421 -5.9765 -5.9765 -5.9203 -5.9203 -5.8837 -5.8837 -2.7240 -2.7240 -0.3072 -0.3072 0.5900 0.5900 0.6316 0.6316 0.7354 0.7354 0.9710 0.9710 1.5989 1.5989 1.7413 1.7413 1.8272 1.8272 1.9174 1.9174 2.6987 2.6987 2.8975 2.8975 k = 0.0000 0.0000 0.0337 ( 10917 PWs) bands (ev): -7.4194 -7.4194 -6.9717 -6.9717 -6.8192 -6.8192 -6.6867 -6.6867 -6.6348 -6.6348 -6.3930 -6.3930 -6.1421 -6.1421 -5.9765 -5.9765 -5.9203 -5.9203 -5.8836 -5.8836 -2.7219 -2.7219 -0.3129 -0.3129 0.5915 0.5915 0.6316 0.6316 0.7356 0.7356 0.9622 0.9622 1.6025 1.6025 1.7468 1.7468 1.8078 1.8078 1.9403 1.9403 2.6986 2.6986 2.8977 2.8977 k = 0.0000 0.0000 0.0506 ( 10929 PWs) bands (ev): -7.4194 -7.4194 -6.9717 -6.9717 -6.8192 -6.8192 -6.6868 -6.6868 -6.6348 -6.6348 -6.3930 -6.3930 -6.1421 -6.1421 -5.9765 -5.9765 -5.9204 -5.9204 -5.8836 -5.8836 -2.7184 -2.7184 -0.3223 -0.3223 0.5939 0.5939 0.6317 0.6317 0.7360 0.7360 0.9486 0.9486 1.6087 1.6087 1.7539 1.7539 1.7873 1.7873 1.9677 1.9677 2.6983 2.6983 2.8980 2.8980 k = 0.0000 0.0000 0.0674 ( 10933 PWs) bands (ev): -7.4194 -7.4194 -6.9717 -6.9717 -6.8192 -6.8192 -6.6867 -6.6867 -6.6348 -6.6348 -6.3929 -6.3929 -6.1421 -6.1421 -5.9765 -5.9765 -5.9204 -5.9204 -5.8835 -5.8835 -2.7136 -2.7136 -0.3353 -0.3353 0.5973 0.5973 0.6318 0.6318 0.7364 0.7364 0.9310 0.9310 1.6174 1.6174 1.7528 1.7528 1.7767 1.7767 1.9972 1.9972 2.6980 2.6980 2.8983 2.8983 k = 0.0000 0.0000 0.0843 ( 10929 PWs) bands (ev): -7.4194 -7.4194 -6.9716 -6.9716 -6.8192 -6.8192 -6.6867 -6.6867 -6.6348 -6.6348 -6.3929 -6.3929 -6.1421 -6.1421 -5.9765 -5.9765 -5.9204 -5.9204 -5.8835 -5.8835 -2.7076 -2.7076 -0.3515 -0.3515 0.6015 0.6015 0.6319 0.6319 0.7370 0.7370 0.9107 0.9107 1.6285 1.6285 1.7353 1.7353 1.7839 1.7839 2.0279 2.0279 2.6976 2.6976 2.8987 2.8987 k = 0.0000 0.0000 0.1011 ( 10941 PWs) bands (ev): -7.4194 -7.4194 -6.9716 -6.9716 -6.8192 -6.8192 -6.6867 -6.6867 -6.6348 -6.6348 -6.3929 -6.3929 -6.1421 -6.1421 -5.9765 -5.9765 -5.9204 -5.9204 -5.8834 -5.8834 -2.7004 -2.7004 -0.3706 -0.3706 0.6065 0.6065 0.6320 0.6320 0.7376 0.7376 0.8889 0.8889 1.6416 1.6416 1.7153 1.7153 1.7945 1.7945 2.0594 2.0594 2.6971 2.6971 2.8990 2.8990 k = 0.0000 0.0000 0.1180 ( 10935 PWs) bands (ev): -7.4194 -7.4194 -6.9715 -6.9715 -6.8192 -6.8192 -6.6867 -6.6867 -6.6348 -6.6348 -6.3928 -6.3928 -6.1421 -6.1421 -5.9765 -5.9765 -5.9204 -5.9204 -5.8833 -5.8833 -2.6923 -2.6923 -0.3923 -0.3923 0.6122 0.6122 0.6322 0.6322 0.7384 0.7384 0.8666 0.8666 1.6559 1.6559 1.6966 1.6966 1.8047 1.8047 2.0914 2.0914 2.6965 2.6965 2.8992 2.8992 k = 0.0000 0.0000 0.1349 ( 10935 PWs) bands (ev): -7.4194 -7.4194 -6.9715 -6.9715 -6.8192 -6.8192 -6.6867 -6.6867 -6.6347 -6.6347 -6.3928 -6.3928 -6.1420 -6.1420 -5.9765 -5.9765 -5.9204 -5.9204 -5.8832 -5.8832 -2.6834 -2.6834 -0.4160 -0.4160 0.6185 0.6185 0.6324 0.6324 0.7392 0.7392 0.8446 0.8446 1.6651 1.6651 1.6854 1.6854 1.8139 1.8139 2.1237 2.1237 2.6959 2.6959 2.8991 2.8991 k = 0.0000 0.0000 0.1517 ( 10933 PWs) bands (ev): -7.4194 -7.4194 -6.9714 -6.9714 -6.8192 -6.8192 -6.6867 -6.6867 -6.6347 -6.6347 -6.3927 -6.3927 -6.1419 -6.1419 -5.9765 -5.9765 -5.9204 -5.9204 -5.8831 -5.8831 -2.6738 -2.6738 -0.4412 -0.4412 0.6252 0.6252 0.6325 0.6325 0.7400 0.7400 0.8236 0.8236 1.6546 1.6546 1.6961 1.6961 1.8220 1.8220 2.1561 2.1561 2.6952 2.6952 2.8985 2.8985 k = 0.0000 0.0000 0.1686 ( 10933 PWs) bands (ev): -7.4194 -7.4194 -6.9714 -6.9714 -6.8191 -6.8191 -6.6867 -6.6867 -6.6347 -6.6347 -6.3926 -6.3926 -6.1419 -6.1419 -5.9765 -5.9765 -5.9204 -5.9204 -5.8830 -5.8830 -2.6639 -2.6639 -0.4673 -0.4673 0.6322 0.6322 0.6327 0.6327 0.7409 0.7409 0.8039 0.8039 1.6394 1.6394 1.7126 1.7126 1.8295 1.8295 2.1884 2.1884 2.6945 2.6945 2.8969 2.8969 k = 0.0000 0.0000 0.1854 ( 10945 PWs) bands (ev): -7.4194 -7.4194 -6.9713 -6.9713 -6.8192 -6.8192 -6.6867 -6.6867 -6.6347 -6.6347 -6.3926 -6.3926 -6.1419 -6.1419 -5.9765 -5.9765 -5.9204 -5.9204 -5.8830 -5.8830 -2.6537 -2.6537 -0.4936 -0.4936 0.6329 0.6329 0.6393 0.6393 0.7418 0.7418 0.7859 0.7859 1.6248 1.6248 1.7284 1.7284 1.8373 1.8373 2.2202 2.2202 2.6938 2.6938 2.8937 2.8938 k = 0.0000 0.0000 0.2023 ( 10954 PWs) bands (ev): -7.4194 -7.4194 -6.9713 -6.9713 -6.8192 -6.8192 -6.6867 -6.6867 -6.6347 -6.6347 -6.3926 -6.3926 -6.1418 -6.1418 -5.9766 -5.9766 -5.9204 -5.9204 -5.8829 -5.8829 -2.6436 -2.6436 -0.5195 -0.5195 0.6331 0.6331 0.6464 0.6464 0.7426 0.7426 0.7699 0.7699 1.6115 1.6115 1.7416 1.7416 1.8468 1.8468 2.2513 2.2513 2.6931 2.6931 2.8882 2.8883 k = 0.0000 0.0000 0.2191 ( 10956 PWs) bands (ev): -7.4194 -7.4194 -6.9712 -6.9712 -6.8192 -6.8192 -6.6867 -6.6867 -6.6347 -6.6347 -6.3926 -6.3926 -6.1418 -6.1418 -5.9766 -5.9766 -5.9204 -5.9204 -5.8828 -5.8828 -2.6338 -2.6338 -0.5442 -0.5442 0.6333 0.6333 0.6533 0.6533 0.7434 0.7434 0.7557 0.7557 1.5996 1.5996 1.7510 1.7510 1.8586 1.8586 2.2812 2.2812 2.6925 2.6925 2.8803 2.8803 k = 0.0000 0.0000 0.2360 ( 10944 PWs) bands (ev): -7.4194 -7.4194 -6.9712 -6.9712 -6.8191 -6.8191 -6.6867 -6.6867 -6.6347 -6.6347 -6.3925 -6.3925 -6.1417 -6.1417 -5.9765 -5.9765 -5.9204 -5.9204 -5.8827 -5.8827 -2.6247 -2.6247 -0.5673 -0.5673 0.6334 0.6334 0.6598 0.6598 0.7434 0.7434 0.7444 0.7444 1.5892 1.5892 1.7564 1.7564 1.8726 1.8726 2.3096 2.3096 2.6919 2.6919 2.8712 2.8712 k = 0.0000 0.0000 0.2529 ( 10938 PWs) bands (ev): -7.4194 -7.4194 -6.9711 -6.9711 -6.8191 -6.8191 -6.6867 -6.6867 -6.6346 -6.6346 -6.3925 -6.3925 -6.1416 -6.1416 -5.9765 -5.9765 -5.9203 -5.9203 -5.8826 -5.8826 -2.6164 -2.6164 -0.5879 -0.5879 0.6336 0.6336 0.6657 0.6657 0.7334 0.7334 0.7449 0.7449 1.5803 1.5803 1.7587 1.7587 1.8878 1.8878 2.3356 2.3356 2.6914 2.6914 2.8623 2.8623 k = 0.0000 0.0000 0.2697 ( 10936 PWs) bands (ev): -7.4194 -7.4194 -6.9711 -6.9711 -6.8191 -6.8191 -6.6867 -6.6867 -6.6346 -6.6346 -6.3924 -6.3924 -6.1416 -6.1416 -5.9765 -5.9765 -5.9203 -5.9203 -5.8826 -5.8826 -2.6091 -2.6091 -0.6056 -0.6056 0.6337 0.6337 0.6708 0.6708 0.7251 0.7251 0.7455 0.7455 1.5730 1.5730 1.7589 1.7589 1.9027 1.9027 2.3588 2.3588 2.6909 2.6909 2.8547 2.8548 k = 0.0000 0.0000 0.2866 ( 10940 PWs) bands (ev): -7.4194 -7.4194 -6.9710 -6.9710 -6.8191 -6.8191 -6.6867 -6.6867 -6.6346 -6.6346 -6.3924 -6.3924 -6.1416 -6.1416 -5.9765 -5.9765 -5.9203 -5.9203 -5.8826 -5.8826 -2.6033 -2.6033 -0.6200 -0.6200 0.6338 0.6338 0.6749 0.6749 0.7188 0.7188 0.7459 0.7459 1.5673 1.5673 1.7582 1.7582 1.9158 1.9158 2.3782 2.3782 2.6906 2.6906 2.8490 2.8491 k = 0.0000 0.0000 0.3034 ( 10934 PWs) bands (ev): -7.4193 -7.4193 -6.9710 -6.9710 -6.8191 -6.8191 -6.6866 -6.6866 -6.6346 -6.6346 -6.3924 -6.3924 -6.1416 -6.1416 -5.9765 -5.9765 -5.9203 -5.9203 -5.8825 -5.8825 -2.5989 -2.5989 -0.6305 -0.6305 0.6339 0.6339 0.6780 0.6780 0.7142 0.7142 0.7463 0.7463 1.5633 1.5633 1.7571 1.7571 1.9260 1.9260 2.3929 2.3929 2.6904 2.6904 2.8456 2.8457 k = 0.0000 0.0000 0.3203 ( 10930 PWs) bands (ev): -7.4193 -7.4193 -6.9710 -6.9710 -6.8191 -6.8191 -6.6866 -6.6866 -6.6345 -6.6345 -6.3924 -6.3924 -6.1415 -6.1415 -5.9765 -5.9765 -5.9203 -5.9203 -5.8825 -5.8825 -2.5963 -2.5963 -0.6369 -0.6369 0.6339 0.6339 0.6799 0.6799 0.7115 0.7115 0.7465 0.7465 1.5608 1.5608 1.7563 1.7563 1.9325 1.9325 2.4022 2.4022 2.6903 2.6903 2.8445 2.8446 k = 0.0000 0.0000 0.3372 ( 10926 PWs) bands (ev): -7.4193 -7.4193 -6.9710 -6.9710 -6.8191 -6.8191 -6.6866 -6.6866 -6.6345 -6.6345 -6.3923 -6.3923 -6.1415 -6.1415 -5.9765 -5.9765 -5.9203 -5.9203 -5.8825 -5.8825 -2.5954 -2.5954 -0.6391 -0.6391 0.6339 0.6339 0.6806 0.6806 0.7106 0.7106 0.7465 0.7465 1.5600 1.5600 1.7560 1.7560 1.9347 1.9347 2.4054 2.4054 2.6903 2.6903 2.8446 2.8446 k = 0.0000 0.0000 0.3372 ( 10926 PWs) bands (ev): -7.4193 -7.4193 -6.9710 -6.9710 -6.8191 -6.8191 -6.6866 -6.6866 -6.6345 -6.6345 -6.3923 -6.3923 -6.1415 -6.1415 -5.9765 -5.9765 -5.9203 -5.9203 -5.8825 -5.8825 -2.5954 -2.5954 -0.6391 -0.6391 0.6339 0.6339 0.6806 0.6806 0.7106 0.7106 0.7465 0.7465 1.5600 1.5600 1.7560 1.7560 1.9347 1.9347 2.4054 2.4054 2.6903 2.6903 2.8447 2.8447 k = 0.0167-0.0000 0.3372 ( 10938 PWs) bands (ev): -7.4186 -7.4186 -6.9709 -6.9709 -6.8190 -6.8190 -6.6866 -6.6866 -6.6343 -6.6343 -6.3922 -6.3922 -6.1415 -6.1415 -5.9765 -5.9765 -5.9203 -5.9203 -5.8825 -5.8825 -2.5940 -2.5940 -0.6362 -0.6362 0.6360 0.6360 0.6816 0.6816 0.7133 0.7133 0.7479 0.7479 1.5587 1.5587 1.7565 1.7565 1.9346 1.9346 2.4054 2.4054 2.6748 2.6748 2.8366 2.8366 k = 0.0333-0.0000 0.3372 ( 10920 PWs) bands (ev): -7.4164 -7.4164 -6.9706 -6.9706 -6.8184 -6.8184 -6.6865 -6.6865 -6.6333 -6.6333 -6.3919 -6.3919 -6.1415 -6.1415 -5.9765 -5.9765 -5.9202 -5.9202 -5.8825 -5.8825 -2.5898 -2.5898 -0.6274 -0.6274 0.6421 0.6421 0.6847 0.6847 0.7212 0.7212 0.7520 0.7520 1.5547 1.5547 1.7581 1.7581 1.9344 1.9344 2.4056 2.4056 2.6406 2.6406 2.8229 2.8229 k = 0.0500-0.0000 0.3372 ( 10920 PWs) bands (ev): -7.4129 -7.4129 -6.9701 -6.9701 -6.8177 -6.8177 -6.6863 -6.6863 -6.6318 -6.6318 -6.3913 -6.3913 -6.1415 -6.1415 -5.9764 -5.9764 -5.9202 -5.9202 -5.8824 -5.8824 -2.5828 -2.5828 -0.6130 -0.6130 0.6522 0.6522 0.6899 0.6899 0.7345 0.7345 0.7587 0.7587 1.5479 1.5479 1.7607 1.7607 1.9340 1.9340 2.4058 2.4058 2.6016 2.6016 2.8021 2.8021 k = 0.0667-0.0000 0.3372 ( 10924 PWs) bands (ev): -7.4080 -7.4080 -6.9695 -6.9695 -6.8166 -6.8166 -6.6860 -6.6860 -6.6296 -6.6296 -6.3905 -6.3905 -6.1415 -6.1415 -5.9763 -5.9763 -5.9202 -5.9202 -5.8822 -5.8822 -2.5730 -2.5730 -0.5930 -0.5930 0.6664 0.6664 0.6972 0.6972 0.7532 0.7532 0.7679 0.7679 1.5384 1.5384 1.7643 1.7643 1.9335 1.9335 2.4061 2.4061 2.5637 2.5637 2.7744 2.7744 k = 0.0833-0.0000 0.3372 ( 10922 PWs) bands (ev): -7.4018 -7.4018 -6.9687 -6.9687 -6.8153 -6.8153 -6.6857 -6.6857 -6.6268 -6.6268 -6.3895 -6.3895 -6.1414 -6.1414 -5.9762 -5.9762 -5.9201 -5.9201 -5.8821 -5.8821 -2.5604 -2.5604 -0.5676 -0.5676 0.6844 0.6844 0.7066 0.7066 0.7772 0.7772 0.7796 0.7796 1.5260 1.5260 1.7688 1.7688 1.9328 1.9328 2.4062 2.4062 2.5290 2.5290 2.7407 2.7407 k = 0.1000-0.0000 0.3372 ( 10922 PWs) bands (ev): -7.3945 -7.3945 -6.9677 -6.9677 -6.8137 -6.8137 -6.6853 -6.6853 -6.6233 -6.6233 -6.3883 -6.3883 -6.1414 -6.1414 -5.9761 -5.9761 -5.9201 -5.9201 -5.8819 -5.8819 -2.5450 -2.5450 -0.5371 -0.5371 0.7062 0.7062 0.7183 0.7183 0.7927 0.7927 0.8076 0.8076 1.5107 1.5107 1.7742 1.7742 1.9319 1.9319 2.4062 2.4062 2.4988 2.4988 2.7018 2.7018 k = 0.1167-0.0000 0.3372 ( 10930 PWs) bands (ev): -7.3860 -7.3860 -6.9666 -6.9666 -6.8120 -6.8120 -6.6850 -6.6850 -6.6191 -6.6191 -6.3869 -6.3869 -6.1414 -6.1414 -5.9759 -5.9759 -5.9201 -5.9201 -5.8817 -5.8817 -2.5268 -2.5268 -0.5019 -0.5019 0.7296 0.7296 0.7344 0.7344 0.8079 0.8079 0.8434 0.8434 1.4924 1.4924 1.7802 1.7802 1.9308 1.9308 2.4056 2.4056 2.4738 2.4738 2.6584 2.6585 k = 0.1333-0.0000 0.3372 ( 10930 PWs) bands (ev): -7.3765 -7.3765 -6.9654 -6.9654 -6.8100 -6.8100 -6.6846 -6.6846 -6.6142 -6.6142 -6.3853 -6.3853 -6.1413 -6.1413 -5.9758 -5.9758 -5.9200 -5.9200 -5.8814 -5.8814 -2.5058 -2.5058 -0.4624 -0.4624 0.7470 0.7470 0.7618 0.7618 0.8247 0.8247 0.8853 0.8853 1.4714 1.4714 1.7869 1.7869 1.9295 1.9295 2.4039 2.4039 2.4546 2.4546 2.6081 2.6082 k = 0.1500-0.0000 0.3372 ( 10922 PWs) bands (ev): -7.3662 -7.3662 -6.9640 -6.9640 -6.8080 -6.8080 -6.6841 -6.6841 -6.6086 -6.6086 -6.3836 -6.3836 -6.1413 -6.1413 -5.9756 -5.9756 -5.9199 -5.9199 -5.8811 -5.8811 -2.4820 -2.4820 -0.4189 -0.4189 0.7651 0.7651 0.7930 0.7930 0.8432 0.8432 0.9334 0.9334 1.4478 1.4478 1.7939 1.7939 1.9279 1.9279 2.4000 2.4000 2.4415 2.4415 2.5435 2.5435 k = 0.1667-0.0000 0.3372 ( 10918 PWs) bands (ev): -7.3551 -7.3551 -6.9626 -6.9626 -6.8058 -6.8058 -6.6837 -6.6837 -6.6023 -6.6023 -6.3817 -6.3817 -6.1412 -6.1412 -5.9754 -5.9754 -5.9197 -5.9197 -5.8808 -5.8808 -2.4555 -2.4555 -0.3719 -0.3719 0.7853 0.7853 0.8240 0.8240 0.8653 0.8653 0.9878 0.9878 1.4220 1.4220 1.8010 1.8010 1.9260 1.9260 2.3914 2.3914 2.4337 2.4337 2.4787 2.4788 k = 0.1833-0.0000 0.3372 ( 10912 PWs) bands (ev): -7.3435 -7.3435 -6.9610 -6.9610 -6.8036 -6.8036 -6.6833 -6.6833 -6.5954 -6.5954 -6.3796 -6.3796 -6.1411 -6.1411 -5.9752 -5.9752 -5.9196 -5.9196 -5.8805 -5.8805 -2.4262 -2.4262 -0.3219 -0.3219 0.8073 0.8073 0.8489 0.8489 0.8958 0.8958 1.0486 1.0486 1.3942 1.3942 1.8079 1.8079 1.9236 1.9236 2.3662 2.3662 2.4264 2.4264 2.4329 2.4329 k = 0.2000-0.0000 0.3372 ( 10922 PWs) bands (ev): -7.3314 -7.3314 -6.9594 -6.9594 -6.8014 -6.8014 -6.6829 -6.6829 -6.5878 -6.5878 -6.3775 -6.3775 -6.1411 -6.1411 -5.9750 -5.9750 -5.9195 -5.9195 -5.8801 -5.8801 -2.3942 -2.3942 -0.2694 -0.2694 0.8307 0.8307 0.8654 0.8654 0.9360 0.9360 1.1157 1.1157 1.3650 1.3650 1.8143 1.8143 1.9205 1.9205 2.3128 2.3128 2.4055 2.4056 2.4227 2.4228 k = 0.2167-0.0000 0.3372 ( 10934 PWs) bands (ev): -7.3192 -7.3192 -6.9578 -6.9578 -6.7992 -6.7992 -6.6826 -6.6826 -6.5796 -6.5796 -6.3752 -6.3752 -6.1410 -6.1410 -5.9748 -5.9748 -5.9194 -5.9194 -5.8798 -5.8798 -2.3597 -2.3597 -0.2150 -0.2150 0.8526 0.8526 0.8778 0.8778 0.9829 0.9829 1.1885 1.1885 1.3351 1.3351 1.8199 1.8199 1.9165 1.9165 2.2529 2.2529 2.3698 2.3698 2.4188 2.4189 k = 0.2333-0.0000 0.3372 ( 10948 PWs) bands (ev): -7.3067 -7.3067 -6.9562 -6.9562 -6.7970 -6.7970 -6.6822 -6.6822 -6.5709 -6.5709 -6.3729 -6.3729 -6.1409 -6.1409 -5.9746 -5.9746 -5.9192 -5.9192 -5.8794 -5.8794 -2.3226 -2.3226 -0.1590 -0.1590 0.8620 0.8620 0.8973 0.8973 1.0344 1.0344 1.2637 1.2637 1.3073 1.3073 1.8248 1.8248 1.9114 1.9114 2.1977 2.1977 2.3301 2.3301 2.4211 2.4211 k = 0.2500-0.0000 0.3372 ( 10932 PWs) bands (ev): -7.2942 -7.2942 -6.9544 -6.9544 -6.7949 -6.7949 -6.6819 -6.6819 -6.5617 -6.5617 -6.3705 -6.3705 -6.1409 -6.1409 -5.9744 -5.9744 -5.9191 -5.9191 -5.8789 -5.8789 -2.2831 -2.2831 -0.1021 -0.1021 0.8554 0.8554 0.9261 0.9261 1.0900 1.0900 1.2695 1.2695 1.3522 1.3522 1.8297 1.8297 1.9049 1.9049 2.1514 2.1514 2.2941 2.2941 2.4244 2.4244 k = 0.2667-0.0000 0.3372 ( 10934 PWs) bands (ev): -7.2820 -7.2820 -6.9528 -6.9528 -6.7928 -6.7928 -6.6815 -6.6815 -6.5523 -6.5523 -6.3681 -6.3681 -6.1408 -6.1408 -5.9742 -5.9742 -5.9190 -5.9190 -5.8784 -5.8784 -2.2413 -2.2413 -0.0445 -0.0445 0.8368 0.8368 0.9591 0.9591 1.1490 1.1490 1.2399 1.2399 1.4322 1.4322 1.8376 1.8376 1.8974 1.8974 2.1160 2.1160 2.2638 2.2638 2.4267 2.4267 k = 0.2833-0.0000 0.3372 ( 10940 PWs) bands (ev): -7.2701 -7.2701 -6.9511 -6.9511 -6.7909 -6.7909 -6.6812 -6.6812 -6.5426 -6.5426 -6.3657 -6.3657 -6.1407 -6.1407 -5.9740 -5.9740 -5.9188 -5.9188 -5.8779 -5.8779 -2.1975 -2.1975 0.0132 0.0132 0.8068 0.8068 0.9949 0.9949 1.2094 1.2094 1.2120 1.2120 1.5045 1.5045 1.8555 1.8555 1.8899 1.8899 2.0917 2.0917 2.2404 2.2404 2.4280 2.4280 k = 0.3000-0.0000 0.3372 ( 10934 PWs) bands (ev): -7.2585 -7.2585 -6.9494 -6.9494 -6.7891 -6.7891 -6.6809 -6.6809 -6.5328 -6.5328 -6.3633 -6.3633 -6.1406 -6.1406 -5.9738 -5.9738 -5.9186 -5.9186 -5.8775 -5.8775 -2.1520 -2.1520 0.0708 0.0708 0.7660 0.7660 1.0330 1.0330 1.1811 1.1811 1.2767 1.2767 1.5552 1.5552 1.8785 1.8785 1.9013 1.9013 2.0769 2.0769 2.2243 2.2243 2.4286 2.4286 k = 0.3167-0.0000 0.3372 ( 10950 PWs) bands (ev): -7.2476 -7.2476 -6.9479 -6.9479 -6.7874 -6.7874 -6.6807 -6.6807 -6.5231 -6.5231 -6.3610 -6.3610 -6.1405 -6.1405 -5.9736 -5.9736 -5.9185 -5.9185 -5.8770 -5.8770 -2.1051 -2.1051 0.1278 0.1278 0.7154 0.7154 1.0733 1.0733 1.1536 1.1536 1.3448 1.3448 1.5752 1.5752 1.8746 1.8746 1.9734 1.9734 2.0692 2.0692 2.2152 2.2152 2.4285 2.4285 k = 0.3333-0.0000 0.3372 ( 10962 PWs) bands (ev): -7.2373 -7.2373 -6.9464 -6.9464 -6.7859 -6.7859 -6.6805 -6.6805 -6.5136 -6.5136 -6.3588 -6.3588 -6.1405 -6.1405 -5.9735 -5.9735 -5.9184 -5.9184 -5.8765 -5.8765 -2.0573 -2.0573 0.1839 0.1839 0.6571 0.6571 1.1122 1.1122 1.1314 1.1314 1.4152 1.4152 1.5695 1.5695 1.8711 1.8711 2.0608 2.0608 2.0791 2.0791 2.2130 2.2130 2.4277 2.4277 k = 0.3500-0.0000 0.3372 ( 10970 PWs) bands (ev): -7.2278 -7.2278 -6.9450 -6.9450 -6.7845 -6.7845 -6.6803 -6.6803 -6.5044 -6.5044 -6.3566 -6.3566 -6.1404 -6.1404 -5.9733 -5.9733 -5.9183 -5.9183 -5.8760 -5.8760 -2.0091 -2.0091 0.2387 0.2387 0.5934 0.5934 1.1007 1.1007 1.1636 1.1636 1.4863 1.4863 1.5492 1.5492 1.8688 1.8688 2.0591 2.0591 2.1863 2.1863 2.2267 2.2267 2.4261 2.4261 k = 0.3667-0.0000 0.3372 ( 10970 PWs) bands (ev): -7.2190 -7.2190 -6.9437 -6.9437 -6.7832 -6.7832 -6.6800 -6.6800 -6.4956 -6.4956 -6.3546 -6.3546 -6.1403 -6.1403 -5.9731 -5.9731 -5.9181 -5.9181 -5.8756 -5.8756 -1.9613 -1.9613 0.2917 0.2917 0.5270 0.5270 1.0789 1.0789 1.2105 1.2105 1.5113 1.5113 1.5681 1.5681 1.8673 1.8673 2.0502 2.0502 2.2132 2.2132 2.3403 2.3403 2.4234 2.4234 k = 0.3833-0.0000 0.3372 ( 10958 PWs) bands (ev): -7.2111 -7.2111 -6.9425 -6.9425 -6.7820 -6.7820 -6.6798 -6.6798 -6.4876 -6.4876 -6.3527 -6.3527 -6.1402 -6.1402 -5.9729 -5.9729 -5.9180 -5.9180 -5.8751 -5.8751 -1.9146 -1.9146 0.3417 0.3417 0.4610 0.4610 1.0589 1.0589 1.2598 1.2598 1.4780 1.4780 1.6421 1.6421 1.8655 1.8655 2.0338 2.0338 2.2220 2.2220 2.4187 2.4187 2.4844 2.4844 k = 0.4000-0.0000 0.3372 ( 10958 PWs) bands (ev): -7.2042 -7.2042 -6.9415 -6.9415 -6.7810 -6.7810 -6.6797 -6.6797 -6.4802 -6.4802 -6.3510 -6.3510 -6.1402 -6.1402 -5.9728 -5.9728 -5.9179 -5.9179 -5.8748 -5.8748 -1.8702 -1.8702 0.3773 0.3773 0.4089 0.4089 1.0412 1.0412 1.3112 1.3112 1.4410 1.4410 1.7189 1.7189 1.8624 1.8624 2.0089 2.0089 2.2311 2.2311 2.4118 2.4118 2.6355 2.6375 k = 0.4167-0.0000 0.3372 ( 10958 PWs) bands (ev): -7.1982 -7.1982 -6.9406 -6.9406 -6.7802 -6.7802 -6.6795 -6.6795 -6.4738 -6.4738 -6.3496 -6.3496 -6.1401 -6.1401 -5.9727 -5.9727 -5.9178 -5.9178 -5.8744 -5.8744 -1.8291 -1.8291 0.3316 0.3316 0.4390 0.4390 1.0261 1.0261 1.3642 1.3642 1.4046 1.4046 1.7956 1.7956 1.8561 1.8561 1.9778 1.9778 2.2404 2.2404 2.4010 2.4010 2.7013 2.7015 k = 0.4333-0.0000 0.3372 ( 10978 PWs) bands (ev): -7.1934 -7.1934 -6.9398 -6.9398 -6.7796 -6.7796 -6.6795 -6.6795 -6.4685 -6.4685 -6.3484 -6.3484 -6.1401 -6.1401 -5.9727 -5.9727 -5.9177 -5.9177 -5.8741 -5.8741 -1.7928 -1.7928 0.2795 0.2795 0.4776 0.4776 1.0136 1.0136 1.3694 1.3694 1.4201 1.4201 1.8389 1.8389 1.8738 1.8738 1.9469 1.9469 2.2492 2.2492 2.3850 2.3850 2.7224 2.7227 k = 0.4500-0.0000 0.3372 ( 10962 PWs) bands (ev): -7.1895 -7.1895 -6.9392 -6.9392 -6.7790 -6.7790 -6.6793 -6.6793 -6.4642 -6.4642 -6.3473 -6.3473 -6.1400 -6.1400 -5.9725 -5.9725 -5.9176 -5.9176 -5.8738 -5.8738 -1.7625 -1.7625 0.2357 0.2357 0.5107 0.5107 1.0039 1.0039 1.3398 1.3398 1.4760 1.4760 1.8112 1.8112 1.9201 1.9201 1.9498 1.9498 2.2569 2.2569 2.3629 2.3629 2.7303 2.7303 k = 0.4667-0.0000 0.3372 ( 10954 PWs) bands (ev): -7.1867 -7.1867 -6.9387 -6.9387 -6.7786 -6.7786 -6.6793 -6.6793 -6.4610 -6.4610 -6.3466 -6.3466 -6.1400 -6.1400 -5.9725 -5.9725 -5.9175 -5.9175 -5.8737 -5.8737 -1.7397 -1.7397 0.2028 0.2028 0.5361 0.5361 0.9969 0.9969 1.3166 1.3166 1.5325 1.5325 1.7686 1.7686 1.9099 1.9099 2.0145 2.0145 2.2631 2.2631 2.3351 2.3351 2.7248 2.7248 k = 0.4833-0.0000 0.3372 ( 10958 PWs) bands (ev): -7.1851 -7.1851 -6.9385 -6.9385 -6.7784 -6.7784 -6.6793 -6.6793 -6.4591 -6.4591 -6.3462 -6.3462 -6.1400 -6.1400 -5.9725 -5.9725 -5.9175 -5.9175 -5.8735 -5.8735 -1.7255 -1.7255 0.1824 0.1824 0.5522 0.5522 0.9928 0.9928 1.3016 1.3016 1.5872 1.5872 1.7198 1.7198 1.9049 1.9049 2.0666 2.0666 2.2672 2.2672 2.3067 2.3067 2.7186 2.7186 k = 0.5000-0.0000 0.3372 ( 10976 PWs) bands (ev): -7.1846 -7.1846 -6.9384 -6.9384 -6.7784 -6.7784 -6.6793 -6.6793 -6.4585 -6.4585 -6.3460 -6.3460 -6.1400 -6.1400 -5.9725 -5.9725 -5.9175 -5.9175 -5.8735 -5.8735 -1.7207 -1.7207 0.1754 0.1754 0.5577 0.5577 0.9914 0.9914 1.2965 1.2965 1.6215 1.6215 1.6870 1.6870 1.9035 1.9035 2.0884 2.0884 2.2690 2.2690 2.2927 2.2927 2.7162 2.7162 k = 0.5000-0.0000 0.3372 ( 10976 PWs) bands (ev): -7.1846 -7.1846 -6.9384 -6.9384 -6.7784 -6.7784 -6.6793 -6.6793 -6.4585 -6.4585 -6.3460 -6.3460 -6.1400 -6.1400 -5.9725 -5.9725 -5.9175 -5.9175 -5.8735 -5.8735 -1.7207 -1.7207 0.1754 0.1754 0.5577 0.5577 0.9914 0.9914 1.2965 1.2965 1.6215 1.6215 1.6870 1.6870 1.9035 1.9035 2.0884 2.0884 2.2690 2.2690 2.2927 2.2927 2.7162 2.7162 k = 0.5000 0.0163 0.3372 ( 10964 PWs) bands (ev): -7.1845 -7.1845 -6.9383 -6.9383 -6.7780 -6.7780 -6.6792 -6.6792 -6.4586 -6.4586 -6.3460 -6.3460 -6.1400 -6.1400 -5.9725 -5.9725 -5.9177 -5.9177 -5.8739 -5.8739 -1.7196 -1.7196 0.1763 0.1763 0.5583 0.5583 0.9774 0.9774 1.2971 1.2971 1.6218 1.6218 1.6993 1.6993 1.9039 1.9039 2.0877 2.0877 2.2619 2.2619 2.2999 2.3000 2.7167 2.7167 k = 0.5000 0.0325 0.3372 ( 10964 PWs) bands (ev): -7.1842 -7.1842 -6.9379 -6.9379 -6.7770 -6.7770 -6.6791 -6.6791 -6.4588 -6.4588 -6.3459 -6.3459 -6.1400 -6.1400 -5.9725 -5.9725 -5.9182 -5.9182 -5.8750 -5.8750 -1.7161 -1.7161 0.1791 0.1791 0.5601 0.5601 0.9380 0.9380 1.2991 1.2991 1.6225 1.6225 1.7333 1.7333 1.9052 1.9052 2.0857 2.0857 2.2490 2.2491 2.3132 2.3132 2.7180 2.7180 k = 0.5000 0.0488 0.3372 ( 10968 PWs) bands (ev): -7.1839 -7.1839 -6.9373 -6.9373 -6.7755 -6.7755 -6.6789 -6.6789 -6.4593 -6.4593 -6.3457 -6.3457 -6.1401 -6.1401 -5.9725 -5.9725 -5.9191 -5.9191 -5.8768 -5.8768 -1.7104 -1.7104 0.1837 0.1837 0.5630 0.5630 0.8796 0.8796 1.3024 1.3024 1.6237 1.6237 1.7827 1.7827 1.9074 1.9074 2.0825 2.0825 2.2353 2.2353 2.3278 2.3278 2.7203 2.7203 k = 0.5000 0.0650 0.3372 ( 10976 PWs) bands (ev): -7.1834 -7.1834 -6.9364 -6.9364 -6.7733 -6.7733 -6.6787 -6.6787 -6.4599 -6.4599 -6.3455 -6.3455 -6.1402 -6.1402 -5.9726 -5.9726 -5.9204 -5.9204 -5.8792 -5.8792 -1.7024 -1.7024 0.1900 0.1900 0.5669 0.5669 0.8084 0.8084 1.3070 1.3070 1.6254 1.6254 1.8414 1.8414 1.9106 1.9106 2.0780 2.0780 2.2213 2.2213 2.3428 2.3428 2.7233 2.7233 k = 0.5000 0.0813 0.3372 ( 10968 PWs) bands (ev): -7.1827 -7.1827 -6.9353 -6.9353 -6.7705 -6.7705 -6.6784 -6.6784 -6.4607 -6.4607 -6.3452 -6.3452 -6.1403 -6.1403 -5.9726 -5.9726 -5.9219 -5.9219 -5.8823 -5.8823 -1.6921 -1.6921 0.1980 0.1980 0.5713 0.5713 0.7295 0.7295 1.3129 1.3129 1.6275 1.6275 1.9033 1.9033 1.9159 1.9159 2.0724 2.0724 2.2074 2.2074 2.3580 2.3580 2.7271 2.7271 k = 0.5000 0.0975 0.3372 ( 10976 PWs) bands (ev): -7.1820 -7.1820 -6.9341 -6.9341 -6.7672 -6.7672 -6.6780 -6.6780 -6.4618 -6.4618 -6.3448 -6.3448 -6.1403 -6.1403 -5.9727 -5.9727 -5.9238 -5.9238 -5.8861 -5.8861 -1.6795 -1.6795 0.2075 0.2075 0.5742 0.5742 0.6480 0.6480 1.3199 1.3199 1.6301 1.6301 1.9189 1.9189 1.9698 1.9698 2.0657 2.0657 2.1938 2.1938 2.3734 2.3734 2.7313 2.7313 k = 0.5000 0.1138 0.3372 ( 10964 PWs) bands (ev): -7.1811 -7.1811 -6.9326 -6.9326 -6.7632 -6.7632 -6.6776 -6.6776 -6.4629 -6.4629 -6.3444 -6.3444 -6.1403 -6.1403 -5.9727 -5.9727 -5.9259 -5.9259 -5.8904 -5.8904 -1.6646 -1.6646 0.2183 0.2183 0.5436 0.5436 0.5980 0.5980 1.3281 1.3281 1.6331 1.6331 1.9251 1.9251 2.0320 2.0320 2.0594 2.0594 2.1808 2.1808 2.3889 2.3889 2.7360 2.7360 k = 0.5000 0.1301 0.3372 ( 10952 PWs) bands (ev): -7.1801 -7.1801 -6.9310 -6.9310 -6.7588 -6.7588 -6.6771 -6.6771 -6.4643 -6.4643 -6.3439 -6.3439 -6.1403 -6.1403 -5.9727 -5.9727 -5.9282 -5.9282 -5.8953 -5.8953 -1.6474 -1.6474 0.2302 0.2302 0.4605 0.4605 0.5998 0.5998 1.3375 1.3375 1.6365 1.6365 1.9322 1.9322 2.0470 2.0470 2.0957 2.0957 2.1697 2.1697 2.4044 2.4044 2.7407 2.7407 k = 0.5000 0.1463 0.3372 ( 10952 PWs) bands (ev): -7.1791 -7.1791 -6.9292 -6.9292 -6.7538 -6.7538 -6.6766 -6.6766 -6.4659 -6.4659 -6.3435 -6.3435 -6.1402 -6.1402 -5.9728 -5.9728 -5.9308 -5.9308 -5.9006 -5.9006 -1.6279 -1.6279 0.2422 0.2422 0.3726 0.3726 0.6078 0.6078 1.3478 1.3478 1.6403 1.6403 1.9406 1.9406 2.0378 2.0378 2.1359 2.1359 2.1757 2.1757 2.4198 2.4198 2.7453 2.7454 k = 0.5000 0.1626 0.3372 ( 10940 PWs) bands (ev): -7.1780 -7.1780 -6.9273 -6.9273 -6.7483 -6.7483 -6.6761 -6.6761 -6.4677 -6.4677 -6.3429 -6.3429 -6.1399 -6.1399 -5.9729 -5.9729 -5.9336 -5.9336 -5.9064 -5.9064 -1.6062 -1.6062 0.2453 0.2453 0.2937 0.2937 0.6172 0.6172 1.3591 1.3591 1.6444 1.6444 1.9502 1.9502 2.0272 2.0272 2.1330 2.1330 2.2225 2.2225 2.4352 2.4352 2.7494 2.7495 k = 0.5000 0.1788 0.3372 ( 10940 PWs) bands (ev): -7.1769 -7.1769 -6.9254 -6.9254 -6.7425 -6.7425 -6.6756 -6.6756 -6.4697 -6.4697 -6.3423 -6.3423 -6.1396 -6.1396 -5.9730 -5.9730 -5.9365 -5.9365 -5.9126 -5.9126 -1.5822 -1.5822 0.1822 0.1822 0.2822 0.2822 0.6274 0.6274 1.3712 1.3712 1.6488 1.6488 1.9612 1.9612 2.0158 2.0158 2.1217 2.1217 2.2744 2.2744 2.4503 2.4503 2.7522 2.7525 k = 0.5000 0.1951 0.3372 ( 10940 PWs) bands (ev): -7.1758 -7.1758 -6.9235 -6.9235 -6.7363 -6.7363 -6.6750 -6.6750 -6.4719 -6.4719 -6.3417 -6.3417 -6.1392 -6.1392 -5.9731 -5.9731 -5.9395 -5.9395 -5.9190 -5.9190 -1.5559 -1.5559 0.0957 0.0957 0.2955 0.2955 0.6381 0.6381 1.3841 1.3841 1.6534 1.6534 1.9737 1.9737 2.0038 2.0038 2.1095 2.1095 2.3238 2.3238 2.4652 2.4652 2.7518 2.7521 k = 0.5000 0.2113 0.3372 ( 10928 PWs) bands (ev): -7.1747 -7.1747 -6.9215 -6.9215 -6.7297 -6.7297 -6.6744 -6.6744 -6.4743 -6.4743 -6.3411 -6.3411 -6.1385 -6.1385 -5.9731 -5.9731 -5.9426 -5.9426 -5.9256 -5.9256 -1.5274 -1.5274 0.0086 0.0086 0.3112 0.3112 0.6492 0.6492 1.3976 1.3976 1.6581 1.6581 1.9866 1.9866 1.9926 1.9926 2.0974 2.0974 2.3698 2.3698 2.4797 2.4797 2.7466 2.7490 k = 0.5000 0.2276 0.3372 ( 10924 PWs) bands (ev): -7.1736 -7.1736 -6.9195 -6.9195 -6.7230 -6.7230 -6.6739 -6.6739 -6.4769 -6.4769 -6.3405 -6.3405 -6.1378 -6.1378 -5.9732 -5.9732 -5.9457 -5.9457 -5.9324 -5.9324 -1.4967 -1.4967 -0.0772 -0.0772 0.3275 0.3275 0.6604 0.6604 1.4115 1.4115 1.6629 1.6629 1.9777 1.9777 2.0046 2.0046 2.0856 2.0856 2.4122 2.4122 2.4938 2.4938 2.7292 2.7294 k = 0.5000 0.2439 0.3372 ( 10932 PWs) bands (ev): -7.1726 -7.1726 -6.9177 -6.9177 -6.7162 -6.7162 -6.6734 -6.6734 -6.4797 -6.4797 -6.3399 -6.3399 -6.1369 -6.1369 -5.9734 -5.9734 -5.9487 -5.9487 -5.9392 -5.9392 -1.4639 -1.4639 -0.1612 -0.1612 0.3437 0.3437 0.6716 0.6716 1.4257 1.4257 1.6676 1.6676 1.9645 1.9645 2.0226 2.0226 2.0743 2.0743 2.4508 2.4508 2.5072 2.5072 2.7083 2.7083 k = 0.5000 0.2601 0.3372 ( 10940 PWs) bands (ev): -7.1716 -7.1716 -6.9159 -6.9159 -6.7094 -6.7094 -6.6728 -6.6728 -6.4825 -6.4825 -6.3394 -6.3394 -6.1359 -6.1359 -5.9735 -5.9735 -5.9517 -5.9517 -5.9458 -5.9458 -1.4291 -1.4291 -0.2429 -0.2429 0.3596 0.3596 0.6824 0.6824 1.4400 1.4400 1.6722 1.6722 1.9512 1.9512 2.0425 2.0425 2.0638 2.0638 2.4857 2.4857 2.5200 2.5200 2.6835 2.6835 k = 0.5000 0.2764 0.3372 ( 10932 PWs) bands (ev): -7.1707 -7.1707 -6.9142 -6.9142 -6.7026 -6.7026 -6.6724 -6.6724 -6.4854 -6.4854 -6.3388 -6.3388 -6.1348 -6.1348 -5.9737 -5.9737 -5.9546 -5.9546 -5.9521 -5.9521 -1.3925 -1.3925 -0.3220 -0.3220 0.3749 0.3749 0.6929 0.6929 1.4542 1.4542 1.6767 1.6767 1.9380 1.9380 2.0523 2.0523 2.0664 2.0664 2.5162 2.5162 2.5322 2.5322 2.6558 2.6558 k = 0.5000 0.2926 0.3372 ( 10940 PWs) bands (ev): -7.1698 -7.1698 -6.9126 -6.9126 -6.6961 -6.6961 -6.6719 -6.6719 -6.4884 -6.4884 -6.3383 -6.3383 -6.1336 -6.1336 -5.9739 -5.9739 -5.9585 -5.9585 -5.9570 -5.9570 -1.3543 -1.3543 -0.3980 -0.3980 0.3891 0.3891 0.7027 0.7027 1.4681 1.4681 1.6808 1.6808 1.9252 1.9252 2.0436 2.0436 2.0908 2.0908 2.5391 2.5391 2.5454 2.5454 2.6274 2.6274 k = 0.5000 0.3089 0.3372 ( 10928 PWs) bands (ev): -7.1691 -7.1691 -6.9111 -6.9111 -6.6900 -6.6900 -6.6715 -6.6715 -6.4913 -6.4913 -6.3378 -6.3378 -6.1323 -6.1323 -5.9744 -5.9744 -5.9637 -5.9637 -5.9595 -5.9595 -1.3149 -1.3149 -0.4704 -0.4704 0.4021 0.4021 0.7116 0.7116 1.4812 1.4812 1.6845 1.6845 1.9130 1.9130 2.0353 2.0353 2.1182 2.1182 2.5497 2.5497 2.5554 2.5554 2.6074 2.6074 k = 0.5000 0.3252 0.3372 ( 10912 PWs) bands (ev): -7.1684 -7.1684 -6.9099 -6.9099 -6.6844 -6.6844 -6.6712 -6.6712 -6.4940 -6.4940 -6.3373 -6.3373 -6.1310 -6.1310 -5.9752 -5.9752 -5.9680 -5.9680 -5.9616 -5.9616 -1.2749 -1.2749 -0.5384 -0.5384 0.4137 0.4137 0.7195 0.7195 1.4933 1.4933 1.6878 1.6878 1.9017 1.9017 2.0280 2.0280 2.1481 2.1481 2.5331 2.5331 2.5607 2.5607 2.6126 2.6126 k = 0.5000 0.3414 0.3372 ( 10924 PWs) bands (ev): -7.1679 -7.1679 -6.9089 -6.9089 -6.6795 -6.6795 -6.6709 -6.6709 -6.4964 -6.4964 -6.3370 -6.3370 -6.1299 -6.1299 -5.9770 -5.9770 -5.9707 -5.9707 -5.9634 -5.9634 -1.2353 -1.2353 -0.6011 -0.6011 0.4234 0.4234 0.7263 0.7263 1.5041 1.5041 1.6906 1.6906 1.8917 1.8917 2.0218 2.0218 2.1804 2.1804 2.4980 2.4980 2.5677 2.5677 2.6283 2.6283 k = 0.5000 0.3577 0.3372 ( 10944 PWs) bands (ev): -7.1675 -7.1675 -6.9081 -6.9081 -6.6756 -6.6756 -6.6707 -6.6707 -6.4985 -6.4985 -6.3368 -6.3368 -6.1290 -6.1290 -5.9795 -5.9795 -5.9719 -5.9719 -5.9649 -5.9649 -1.1979 -1.1979 -0.6566 -0.6566 0.4312 0.4312 0.7317 0.7317 1.5130 1.5130 1.6928 1.6928 1.8834 1.8834 2.0169 2.0169 2.2149 2.2149 2.4587 2.4587 2.5734 2.5734 2.6437 2.6437 k = 0.5000 0.3739 0.3372 ( 10940 PWs) bands (ev): -7.1672 -7.1672 -6.9075 -6.9075 -6.6726 -6.6726 -6.6705 -6.6705 -6.5001 -6.5001 -6.3365 -6.3365 -6.1283 -6.1283 -5.9818 -5.9818 -5.9723 -5.9723 -5.9659 -5.9659 -1.1655 -1.1655 -0.7019 -0.7019 0.4369 0.4369 0.7357 0.7357 1.5198 1.5198 1.6944 1.6944 1.8771 1.8771 2.0134 2.0134 2.2512 2.2512 2.4181 2.4181 2.5775 2.5775 2.6563 2.6563 k = 0.5000 0.3902 0.3372 ( 10932 PWs) bands (ev): -7.1669 -7.1669 -6.9071 -6.9071 -6.6708 -6.6708 -6.6703 -6.6703 -6.5011 -6.5011 -6.3364 -6.3364 -6.1278 -6.1278 -5.9832 -5.9832 -5.9725 -5.9725 -5.9666 -5.9666 -1.1425 -1.1425 -0.7326 -0.7326 0.4404 0.4404 0.7381 0.7381 1.5240 1.5240 1.6953 1.6953 1.8732 1.8732 2.0112 2.0112 2.2882 2.2882 2.3783 2.3783 2.5800 2.5800 2.6647 2.6648 k = 0.5000 0.4064 0.3372 ( 10944 PWs) bands (ev): -7.1669 -7.1669 -6.9070 -6.9070 -6.6705 -6.6705 -6.6700 -6.6700 -6.5014 -6.5014 -6.3364 -6.3364 -6.1276 -6.1276 -5.9837 -5.9837 -5.9726 -5.9726 -5.9668 -5.9668 -1.1341 -1.1341 -0.7437 -0.7437 0.4416 0.4416 0.7389 0.7389 1.5254 1.5254 1.6956 1.6956 1.8718 1.8718 2.0105 2.0105 2.3139 2.3139 2.3516 2.3516 2.5808 2.5808 2.6678 2.6678 k = 0.5000 0.4064 0.3372 ( 10944 PWs) bands (ev): -7.1669 -7.1669 -6.9070 -6.9070 -6.6705 -6.6705 -6.6700 -6.6700 -6.5014 -6.5014 -6.3364 -6.3364 -6.1276 -6.1276 -5.9837 -5.9837 -5.9726 -5.9726 -5.9668 -5.9668 -1.1341 -1.1341 -0.7437 -0.7437 0.4416 0.4416 0.7389 0.7389 1.5254 1.5254 1.6956 1.6956 1.8718 1.8718 2.0105 2.0105 2.3139 2.3139 2.3516 2.3516 2.5808 2.5808 2.6678 2.6678 k = 0.4833 0.4064 0.3372 ( 10948 PWs) bands (ev): -7.1675 -7.1675 -6.9071 -6.9071 -6.6705 -6.6705 -6.6700 -6.6700 -6.5021 -6.5021 -6.3365 -6.3365 -6.1277 -6.1277 -5.9837 -5.9837 -5.9726 -5.9726 -5.9668 -5.9668 -1.1413 -1.1413 -0.7441 -0.7441 0.4507 0.4507 0.7345 0.7345 1.5289 1.5289 1.6971 1.6971 1.8579 1.8579 2.0174 2.0174 2.3106 2.3106 2.3516 2.3516 2.5769 2.5769 2.6712 2.6712 k = 0.4667 0.4064 0.3372 ( 10948 PWs) bands (ev): -7.1693 -7.1693 -6.9074 -6.9074 -6.6705 -6.6705 -6.6700 -6.6700 -6.5042 -6.5042 -6.3370 -6.3370 -6.1277 -6.1277 -5.9837 -5.9837 -5.9727 -5.9727 -5.9668 -5.9668 -1.1623 -1.1623 -0.7456 -0.7456 0.4774 0.4774 0.7217 0.7217 1.5389 1.5389 1.7014 1.7014 1.8229 1.8229 2.0318 2.0318 2.3018 2.3018 2.3512 2.3512 2.5653 2.5653 2.6809 2.6810 k = 0.4500 0.4064 0.3372 ( 10940 PWs) bands (ev): -7.1722 -7.1722 -6.9078 -6.9078 -6.6705 -6.6705 -6.6699 -6.6699 -6.5075 -6.5075 -6.3378 -6.3378 -6.1277 -6.1277 -5.9836 -5.9836 -5.9727 -5.9727 -5.9667 -5.9667 -1.1955 -1.1955 -0.7480 -0.7480 0.5192 0.5192 0.7011 0.7011 1.5548 1.5548 1.7086 1.7086 1.7766 1.7766 2.0459 2.0459 2.2896 2.2896 2.3494 2.3494 2.5468 2.5468 2.6671 2.6671 k = 0.4333 0.4064 0.3372 ( 10936 PWs) bands (ev): -7.1762 -7.1762 -6.9084 -6.9084 -6.6706 -6.6706 -6.6699 -6.6699 -6.5121 -6.5121 -6.3389 -6.3389 -6.1278 -6.1278 -5.9835 -5.9835 -5.9728 -5.9728 -5.9667 -5.9667 -1.2385 -1.2385 -0.7513 -0.7513 0.5723 0.5723 0.6741 0.6741 1.5750 1.5750 1.7086 1.7086 1.7347 1.7347 2.0562 2.0562 2.2760 2.2760 2.3456 2.3456 2.5224 2.5224 2.6194 2.6194 k = 0.4167 0.4064 0.3372 ( 10928 PWs) bands (ev): -7.1813 -7.1813 -6.9091 -6.9091 -6.6706 -6.6706 -6.6699 -6.6699 -6.5180 -6.5180 -6.3403 -6.3403 -6.1279 -6.1279 -5.9834 -5.9834 -5.9729 -5.9729 -5.9666 -5.9666 -1.2889 -1.2889 -0.7555 -0.7555 0.6221 0.6221 0.6522 0.6522 1.5968 1.5968 1.6603 1.6603 1.7433 1.7433 2.0620 2.0620 2.2623 2.2623 2.3392 2.3392 2.4924 2.4924 2.5707 2.5707 k = 0.4000 0.4064 0.3372 ( 10928 PWs) bands (ev): -7.1876 -7.1876 -6.9101 -6.9101 -6.6706 -6.6706 -6.6698 -6.6698 -6.5249 -6.5249 -6.3420 -6.3420 -6.1281 -6.1281 -5.9833 -5.9833 -5.9731 -5.9731 -5.9666 -5.9666 -1.3444 -1.3444 -0.7606 -0.7606 0.5960 0.5960 0.7048 0.7048 1.5886 1.5886 1.6326 1.6326 1.7662 1.7662 2.0637 2.0637 2.2497 2.2497 2.3294 2.3294 2.4541 2.4541 2.5252 2.5252 k = 0.3833 0.4064 0.3372 ( 10932 PWs) bands (ev): -7.1949 -7.1949 -6.9111 -6.9111 -6.6707 -6.6707 -6.6698 -6.6698 -6.5328 -6.5328 -6.3439 -6.3439 -6.1282 -6.1282 -5.9832 -5.9832 -5.9732 -5.9732 -5.9665 -5.9665 -1.4030 -1.4030 -0.7665 -0.7665 0.5531 0.5531 0.7691 0.7691 1.5291 1.5291 1.6533 1.6533 1.7971 1.7971 2.0616 2.0616 2.2388 2.2388 2.3158 2.3158 2.3998 2.3998 2.4865 2.4865 k = 0.3667 0.4064 0.3372 ( 10928 PWs) bands (ev): -7.2031 -7.2031 -6.9123 -6.9123 -6.6708 -6.6708 -6.6697 -6.6697 -6.5416 -6.5416 -6.3460 -6.3460 -6.1284 -6.1284 -5.9831 -5.9831 -5.9734 -5.9734 -5.9664 -5.9664 -1.4632 -1.4632 -0.7732 -0.7732 0.5057 0.5057 0.8294 0.8294 1.4651 1.4651 1.6739 1.6739 1.8360 1.8360 2.0565 2.0565 2.2300 2.2300 2.2980 2.2980 2.3238 2.3238 2.4566 2.4566 k = 0.3500 0.4064 0.3372 ( 10924 PWs) bands (ev): -7.2123 -7.2123 -6.9137 -6.9137 -6.6708 -6.6708 -6.6697 -6.6697 -6.5511 -6.5511 -6.3482 -6.3482 -6.1286 -6.1286 -5.9829 -5.9829 -5.9736 -5.9736 -5.9663 -5.9663 -1.5237 -1.5237 -0.7805 -0.7805 0.4546 0.4546 0.8816 0.8816 1.4006 1.4006 1.6867 1.6867 1.8816 1.8816 2.0489 2.0489 2.2218 2.2218 2.2324 2.2324 2.2884 2.2884 2.4353 2.4353 k = 0.3333 0.4064 0.3372 ( 10920 PWs) bands (ev): -7.2223 -7.2223 -6.9151 -6.9151 -6.6709 -6.6709 -6.6697 -6.6697 -6.5612 -6.5612 -6.3507 -6.3507 -6.1288 -6.1288 -5.9828 -5.9828 -5.9738 -5.9738 -5.9662 -5.9662 -1.5836 -1.5836 -0.7883 -0.7883 0.4006 0.4006 0.9231 0.9231 1.3366 1.3366 1.6841 1.6841 1.9285 1.9285 2.0396 2.0396 2.1514 2.1514 2.2206 2.2206 2.2846 2.2846 2.4208 2.4210 k = 0.3167 0.4064 0.3372 ( 10932 PWs) bands (ev): -7.2331 -7.2331 -6.9167 -6.9167 -6.6710 -6.6710 -6.6697 -6.6697 -6.5717 -6.5717 -6.3532 -6.3532 -6.1290 -6.1290 -5.9826 -5.9826 -5.9740 -5.9740 -5.9661 -5.9661 -1.6421 -1.6421 -0.7967 -0.7967 0.3439 0.3439 0.9527 0.9527 1.2738 1.2738 1.6587 1.6587 1.9666 1.9666 2.0291 2.0291 2.0969 2.0969 2.2197 2.2197 2.3030 2.3030 2.4127 2.4131 k = 0.3000 0.4064 0.3372 ( 10928 PWs) bands (ev): -7.2445 -7.2445 -6.9183 -6.9183 -6.6711 -6.6711 -6.6696 -6.6696 -6.5826 -6.5826 -6.3559 -6.3559 -6.1292 -6.1292 -5.9825 -5.9825 -5.9743 -5.9743 -5.9659 -5.9659 -1.6987 -1.6987 -0.8054 -0.8054 0.2852 0.2852 0.9704 0.9704 1.2126 1.2126 1.6089 1.6089 1.9860 1.9860 2.0185 2.0185 2.0702 2.0702 2.2213 2.2213 2.3468 2.3468 2.4041 2.4041 k = 0.2833 0.4064 0.3372 ( 10944 PWs) bands (ev): -7.2566 -7.2566 -6.9200 -6.9200 -6.6712 -6.6712 -6.6696 -6.6696 -6.5936 -6.5936 -6.3586 -6.3586 -6.1295 -6.1295 -5.9823 -5.9823 -5.9746 -5.9746 -5.9658 -5.9658 -1.7531 -1.7531 -0.8145 -0.8145 0.2246 0.2246 0.9775 0.9775 1.1535 1.1535 1.5421 1.5421 1.9869 1.9869 2.0079 2.0079 2.0646 2.0646 2.2247 2.2247 2.3757 2.3757 2.3967 2.3967 k = 0.2667 0.4064 0.3372 ( 10944 PWs) bands (ev): -7.2690 -7.2690 -6.9217 -6.9217 -6.6713 -6.6713 -6.6695 -6.6695 -6.6046 -6.6046 -6.3613 -6.3613 -6.1297 -6.1297 -5.9822 -5.9822 -5.9748 -5.9748 -5.9657 -5.9657 -1.8048 -1.8048 -0.8236 -0.8236 0.1628 0.1628 0.9753 0.9753 1.0972 1.0972 1.4678 1.4678 1.9783 1.9783 1.9964 1.9964 2.0690 2.0690 2.2296 2.2296 2.3772 2.3772 2.3956 2.3956 k = 0.2500 0.4064 0.3372 ( 10956 PWs) bands (ev): -7.2817 -7.2817 -6.9235 -6.9235 -6.6715 -6.6715 -6.6695 -6.6695 -6.6155 -6.6155 -6.3640 -6.3640 -6.1299 -6.1299 -5.9820 -5.9820 -5.9752 -5.9752 -5.9656 -5.9656 -1.8537 -1.8537 -0.8329 -0.8329 0.1003 0.1003 0.9649 0.9649 1.0445 1.0445 1.3926 1.3926 1.9666 1.9666 1.9840 1.9840 2.0754 2.0754 2.2353 2.2353 2.3736 2.3736 2.4024 2.4024 k = 0.2333 0.4064 0.3372 ( 10948 PWs) bands (ev): -7.2946 -7.2946 -6.9253 -6.9253 -6.6716 -6.6716 -6.6695 -6.6695 -6.6261 -6.6261 -6.3667 -6.3667 -6.1301 -6.1301 -5.9819 -5.9819 -5.9754 -5.9754 -5.9654 -5.9654 -1.8996 -1.8996 -0.8422 -0.8422 0.0376 0.0376 0.9462 0.9462 0.9976 0.9976 1.3202 1.3202 1.9543 1.9543 1.9715 1.9715 2.0797 2.0797 2.2413 2.2413 2.3691 2.3691 2.4167 2.4167 k = 0.2167 0.4064 0.3372 ( 10952 PWs) bands (ev): -7.3075 -7.3075 -6.9270 -6.9270 -6.6717 -6.6717 -6.6695 -6.6695 -6.6364 -6.6364 -6.3693 -6.3693 -6.1303 -6.1303 -5.9817 -5.9817 -5.9757 -5.9757 -5.9653 -5.9653 -1.9424 -1.9424 -0.8513 -0.8513 -0.0245 -0.0245 0.9168 0.9168 0.9605 0.9605 1.2524 1.2524 1.9420 1.9420 1.9597 1.9597 2.0806 2.0806 2.2468 2.2468 2.3643 2.3643 2.4352 2.4352 k = 0.2000 0.4064 0.3372 ( 10972 PWs) bands (ev): -7.3203 -7.3203 -6.9288 -6.9288 -6.6719 -6.6719 -6.6696 -6.6696 -6.6461 -6.6461 -6.3719 -6.3719 -6.1305 -6.1305 -5.9816 -5.9816 -5.9760 -5.9760 -5.9652 -5.9652 -1.9821 -1.9821 -0.8601 -0.8601 -0.0855 -0.0855 0.8788 0.8788 0.9327 0.9327 1.1901 1.1901 1.9299 1.9299 1.9494 1.9494 2.0781 2.0781 2.2513 2.2513 2.3595 2.3595 2.4507 2.4507 k = 0.1833 0.4064 0.3372 ( 10976 PWs) bands (ev): -7.3328 -7.3328 -6.9305 -6.9305 -6.6722 -6.6722 -6.6697 -6.6697 -6.6551 -6.6551 -6.3743 -6.3743 -6.1307 -6.1307 -5.9815 -5.9815 -5.9763 -5.9763 -5.9650 -5.9650 -2.0185 -2.0185 -0.8687 -0.8687 -0.1445 -0.1445 0.8390 0.8390 0.9085 0.9085 1.1336 1.1336 1.9181 1.9181 1.9407 1.9407 2.0731 2.0731 2.2543 2.2543 2.3547 2.3547 2.4580 2.4580 k = 0.1667 0.4064 0.3372 ( 10972 PWs) bands (ev): -7.3447 -7.3447 -6.9321 -6.9321 -6.6728 -6.6728 -6.6702 -6.6702 -6.6628 -6.6628 -6.3766 -6.3766 -6.1309 -6.1309 -5.9814 -5.9814 -5.9765 -5.9765 -5.9649 -5.9649 -2.0518 -2.0518 -0.8768 -0.8768 -0.2008 -0.2008 0.8008 0.8008 0.8857 0.8857 1.0829 1.0829 1.9065 1.9065 1.9336 1.9336 2.0664 2.0664 2.2556 2.2556 2.3502 2.3502 2.4616 2.4616 k = 0.1500 0.4064 0.3372 ( 10972 PWs) bands (ev): -7.3561 -7.3561 -6.9336 -6.9336 -6.6757 -6.6757 -6.6711 -6.6711 -6.6671 -6.6671 -6.3787 -6.3787 -6.1311 -6.1311 -5.9812 -5.9812 -5.9767 -5.9767 -5.9648 -5.9648 -2.0818 -2.0818 -0.8844 -0.8844 -0.2539 -0.2539 0.7653 0.7653 0.8638 0.8638 1.0379 1.0379 1.8955 1.8955 1.9279 1.9279 2.0589 2.0589 2.2549 2.2549 2.3461 2.3461 2.4656 2.4656 k = 0.1333 0.4064 0.3372 ( 10976 PWs) bands (ev): -7.3667 -7.3667 -6.9350 -6.9350 -6.6816 -6.6816 -6.6715 -6.6715 -6.6681 -6.6681 -6.3807 -6.3807 -6.1313 -6.1313 -5.9812 -5.9812 -5.9769 -5.9769 -5.9647 -5.9647 -2.1086 -2.1086 -0.8914 -0.8914 -0.3030 -0.3030 0.7332 0.7332 0.8431 0.8431 0.9984 0.9984 1.8853 1.8853 1.9234 1.9234 2.0511 2.0511 2.2527 2.2527 2.3426 2.3426 2.4710 2.4710 k = 0.1167 0.4064 0.3372 ( 10968 PWs) bands (ev): -7.3765 -7.3765 -6.9363 -6.9363 -6.6877 -6.6877 -6.6718 -6.6718 -6.6684 -6.6684 -6.3825 -6.3825 -6.1314 -6.1314 -5.9811 -5.9811 -5.9771 -5.9771 -5.9645 -5.9645 -2.1322 -2.1322 -0.8978 -0.8978 -0.3477 -0.3477 0.7044 0.7044 0.8241 0.8241 0.9642 0.9642 1.8760 1.8760 1.9199 1.9199 2.0436 2.0436 2.2493 2.2493 2.3397 2.3397 2.4775 2.4775 k = 0.1000 0.4064 0.3372 ( 10964 PWs) bands (ev): -7.3852 -7.3852 -6.9374 -6.9374 -6.6932 -6.6932 -6.6719 -6.6719 -6.6685 -6.6685 -6.3840 -6.3840 -6.1315 -6.1315 -5.9810 -5.9810 -5.9772 -5.9772 -5.9644 -5.9644 -2.1526 -2.1526 -0.9034 -0.9034 -0.3874 -0.3874 0.6794 0.6794 0.8069 0.8069 0.9351 0.9351 1.8678 1.8678 1.9172 1.9172 2.0366 2.0366 2.2453 2.2453 2.3373 2.3373 2.4848 2.4848 k = 0.0833 0.4064 0.3372 ( 10964 PWs) bands (ev): -7.3927 -7.3927 -6.9385 -6.9385 -6.6980 -6.6980 -6.6720 -6.6720 -6.6685 -6.6685 -6.3854 -6.3854 -6.1316 -6.1316 -5.9809 -5.9809 -5.9773 -5.9773 -5.9643 -5.9643 -2.1698 -2.1698 -0.9083 -0.9083 -0.4216 -0.4216 0.6580 0.6580 0.7920 0.7920 0.9108 0.9108 1.8606 1.8606 1.9151 1.9151 2.0303 2.0303 2.2411 2.2411 2.3354 2.3354 2.4921 2.4921 k = 0.0667 0.4064 0.3372 ( 10968 PWs) bands (ev): -7.3991 -7.3991 -6.9393 -6.9393 -6.7020 -6.7020 -6.6720 -6.6720 -6.6686 -6.6686 -6.3865 -6.3865 -6.1317 -6.1317 -5.9809 -5.9809 -5.9775 -5.9775 -5.9642 -5.9642 -2.1839 -2.1839 -0.9124 -0.9124 -0.4501 -0.4501 0.6404 0.6404 0.7794 0.7794 0.8912 0.8912 1.8547 1.8547 1.9136 1.9136 2.0250 2.0250 2.2372 2.2372 2.3338 2.3338 2.4989 2.4989 k = 0.0500 0.4064 0.3372 ( 10960 PWs) bands (ev): -7.4041 -7.4041 -6.9399 -6.9399 -6.7051 -6.7051 -6.6721 -6.6721 -6.6685 -6.6685 -6.3874 -6.3874 -6.1318 -6.1318 -5.9808 -5.9808 -5.9776 -5.9776 -5.9642 -5.9642 -2.1948 -2.1948 -0.9156 -0.9156 -0.4726 -0.4726 0.6267 0.6267 0.7695 0.7695 0.8761 0.8761 1.8500 1.8500 1.9125 1.9125 2.0208 2.0208 2.2339 2.2339 2.3327 2.3327 2.5047 2.5047 k = 0.0333 0.4064 0.3372 ( 10964 PWs) bands (ev): -7.4077 -7.4077 -6.9404 -6.9404 -6.7074 -6.7074 -6.6721 -6.6721 -6.6685 -6.6685 -6.3880 -6.3880 -6.1318 -6.1318 -5.9808 -5.9808 -5.9776 -5.9776 -5.9641 -5.9641 -2.2026 -2.2026 -0.9179 -0.9179 -0.4888 -0.4888 0.6169 0.6169 0.7623 0.7623 0.8654 0.8654 1.8467 1.8467 1.9118 1.9118 2.0177 2.0177 2.2313 2.2313 2.3318 2.3318 2.5091 2.5091 k = 0.0167 0.4064 0.3372 ( 10968 PWs) bands (ev): -7.4099 -7.4099 -6.9407 -6.9407 -6.7087 -6.7087 -6.6721 -6.6721 -6.6686 -6.6686 -6.3884 -6.3884 -6.1319 -6.1319 -5.9808 -5.9808 -5.9777 -5.9777 -5.9641 -5.9641 -2.2073 -2.2073 -0.9193 -0.9193 -0.4986 -0.4986 0.6110 0.6110 0.7580 0.7580 0.8590 0.8590 1.8446 1.8446 1.9113 1.9113 2.0158 2.0158 2.2298 2.2298 2.3313 2.3314 2.5119 2.5119 k = 0.0000 0.4064 0.3372 ( 10960 PWs) bands (ev): -7.4106 -7.4106 -6.9408 -6.9408 -6.7092 -6.7092 -6.6721 -6.6721 -6.6686 -6.6686 -6.3885 -6.3885 -6.1319 -6.1319 -5.9808 -5.9808 -5.9777 -5.9777 -5.9641 -5.9641 -2.2088 -2.2088 -0.9197 -0.9197 -0.5019 -0.5019 0.6090 0.6090 0.7565 0.7565 0.8568 0.8568 1.8440 1.8440 1.9112 1.9112 2.0152 2.0152 2.2293 2.2293 2.3312 2.3312 2.5128 2.5128 k = 0.0000 0.4064 0.3372 ( 10960 PWs) bands (ev): -7.4106 -7.4106 -6.9408 -6.9408 -6.7092 -6.7092 -6.6721 -6.6721 -6.6686 -6.6686 -6.3885 -6.3885 -6.1319 -6.1319 -5.9808 -5.9808 -5.9777 -5.9777 -5.9641 -5.9641 -2.2088 -2.2088 -0.9197 -0.9197 -0.5019 -0.5019 0.6090 0.6090 0.7565 0.7565 0.8568 0.8568 1.8440 1.8440 1.9112 1.9112 2.0152 2.0152 2.2293 2.2293 2.3312 2.3312 2.5128 2.5128 k = 0.0000 0.3902 0.3372 ( 10964 PWs) bands (ev): -7.4107 -7.4107 -6.9409 -6.9409 -6.7101 -6.7101 -6.6720 -6.6720 -6.6682 -6.6682 -6.3885 -6.3885 -6.1320 -6.1320 -5.9803 -5.9803 -5.9777 -5.9777 -5.9639 -5.9639 -2.2113 -2.2113 -0.9143 -0.9143 -0.5024 -0.5024 0.6091 0.6091 0.7565 0.7565 0.8559 0.8559 1.8439 1.8439 1.9110 1.9110 2.0170 2.0170 2.2273 2.2273 2.3329 2.3329 2.5134 2.5134 k = 0.0000 0.3739 0.3372 ( 10964 PWs) bands (ev): -7.4108 -7.4108 -6.9413 -6.9413 -6.7128 -6.7128 -6.6718 -6.6718 -6.6669 -6.6669 -6.3886 -6.3886 -6.1324 -6.1324 -5.9789 -5.9789 -5.9776 -5.9776 -5.9633 -5.9633 -2.2188 -2.2188 -0.8983 -0.8983 -0.5041 -0.5041 0.6094 0.6094 0.7564 0.7564 0.8533 0.8533 1.8435 1.8435 1.9102 1.9102 2.0223 2.0223 2.2218 2.2218 2.3378 2.3378 2.5151 2.5152 k = 0.0000 0.3577 0.3372 ( 10958 PWs) bands (ev): -7.4110 -7.4110 -6.9418 -6.9418 -6.7167 -6.7167 -6.6719 -6.6719 -6.6648 -6.6648 -6.3886 -6.3886 -6.1330 -6.1330 -5.9776 -5.9776 -5.9765 -5.9765 -5.9624 -5.9624 -2.2307 -2.2307 -0.8720 -0.8720 -0.5069 -0.5069 0.6099 0.6099 0.7562 0.7562 0.8490 0.8490 1.8427 1.8427 1.9090 1.9090 2.0310 2.0310 2.2135 2.2135 2.3452 2.3452 2.5181 2.5181 k = 0.0000 0.3414 0.3372 ( 10966 PWs) bands (ev): -7.4112 -7.4112 -6.9427 -6.9427 -6.7216 -6.7216 -6.6722 -6.6722 -6.6622 -6.6622 -6.3887 -6.3887 -6.1339 -6.1339 -5.9775 -5.9775 -5.9734 -5.9734 -5.9610 -5.9610 -2.2465 -2.2465 -0.8362 -0.8362 -0.5107 -0.5107 0.6106 0.6106 0.7559 0.7559 0.8432 0.8432 1.8414 1.8414 1.9074 1.9074 2.0432 2.0432 2.2029 2.2029 2.3543 2.3543 2.5221 2.5221 k = 0.0000 0.3252 0.3372 ( 10968 PWs) bands (ev): -7.4115 -7.4115 -6.9437 -6.9437 -6.7272 -6.7272 -6.6726 -6.6726 -6.6595 -6.6595 -6.3888 -6.3888 -6.1348 -6.1348 -5.9775 -5.9775 -5.9695 -5.9695 -5.9593 -5.9593 -2.2655 -2.2655 -0.7916 -0.7916 -0.5155 -0.5155 0.6114 0.6114 0.7555 0.7555 0.8362 0.8362 1.8393 1.8393 1.9052 1.9052 2.0586 2.0586 2.1907 2.1907 2.3648 2.3648 2.5273 2.5273 k = 0.0000 0.3089 0.3372 ( 10974 PWs) bands (ev): -7.4118 -7.4118 -6.9449 -6.9449 -6.7333 -6.7333 -6.6733 -6.6733 -6.6567 -6.6567 -6.3890 -6.3890 -6.1358 -6.1358 -5.9774 -5.9774 -5.9652 -5.9652 -5.9572 -5.9572 -2.2869 -2.2869 -0.7390 -0.7390 -0.5211 -0.5211 0.6124 0.6124 0.7551 0.7551 0.8282 0.8282 1.8364 1.8364 1.9026 1.9026 2.0769 2.0769 2.1772 2.1772 2.3763 2.3763 2.5335 2.5335 k = 0.0000 0.2926 0.3372 ( 10982 PWs) bands (ev): -7.4122 -7.4122 -6.9462 -6.9462 -6.7396 -6.7396 -6.6740 -6.6740 -6.6541 -6.6541 -6.3892 -6.3892 -6.1369 -6.1369 -5.9773 -5.9773 -5.9607 -5.9607 -5.9544 -5.9544 -2.3100 -2.3100 -0.6793 -0.6793 -0.5275 -0.5275 0.6135 0.6135 0.7547 0.7547 0.8195 0.8195 1.8327 1.8327 1.8994 1.8994 2.0975 2.0975 2.1625 2.1625 2.3886 2.3886 2.5407 2.5407 k = 0.0000 0.2764 0.3372 ( 10984 PWs) bands (ev): -7.4126 -7.4126 -6.9478 -6.9478 -6.7461 -6.7461 -6.6748 -6.6748 -6.6516 -6.6516 -6.3894 -6.3894 -6.1379 -6.1379 -5.9772 -5.9772 -5.9565 -5.9565 -5.9508 -5.9508 -2.3343 -2.3343 -0.6135 -0.6135 -0.5342 -0.5342 0.6148 0.6148 0.7541 0.7541 0.8103 0.8103 1.8283 1.8283 1.8956 1.8956 2.1197 2.1197 2.1471 2.1471 2.4016 2.4016 2.5489 2.5489 k = 0.0000 0.2601 0.3372 ( 10992 PWs) bands (ev): -7.4131 -7.4131 -6.9494 -6.9494 -6.7528 -6.7528 -6.6757 -6.6757 -6.6494 -6.6494 -6.3896 -6.3896 -6.1388 -6.1388 -5.9772 -5.9772 -5.9529 -5.9529 -5.9461 -5.9461 -2.3590 -2.3590 -0.5504 -0.5504 -0.5331 -0.5331 0.6161 0.6161 0.7536 0.7536 0.8008 0.8008 1.8233 1.8233 1.8911 1.8911 2.1282 2.1282 2.1458 2.1458 2.4154 2.4154 2.5579 2.5579 k = 0.0000 0.2439 0.3372 ( 10984 PWs) bands (ev): -7.4136 -7.4136 -6.9511 -6.9511 -6.7594 -6.7594 -6.6766 -6.6766 -6.6472 -6.6472 -6.3898 -6.3898 -6.1396 -6.1396 -5.9771 -5.9771 -5.9497 -5.9497 -5.9406 -5.9406 -2.3838 -2.3838 -0.5518 -0.5518 -0.4630 -0.4630 0.6176 0.6176 0.7530 0.7530 0.7913 0.7913 1.8177 1.8177 1.8859 1.8859 2.1114 2.1114 2.1697 2.1697 2.4300 2.4300 2.5678 2.5678 k = 0.0000 0.2276 0.3372 ( 10982 PWs) bands (ev): -7.4141 -7.4141 -6.9530 -6.9530 -6.7660 -6.7660 -6.6775 -6.6775 -6.6453 -6.6453 -6.3900 -6.3900 -6.1403 -6.1403 -5.9770 -5.9770 -5.9467 -5.9467 -5.9348 -5.9348 -2.4081 -2.4081 -0.5598 -0.5598 -0.3821 -0.3821 0.6191 0.6191 0.7524 0.7524 0.7819 0.7819 1.8118 1.8118 1.8797 1.8797 2.0929 2.0929 2.1948 2.1948 2.4455 2.4455 2.5783 2.5783 k = 0.0000 0.2113 0.3372 ( 10986 PWs) bands (ev): -7.4147 -7.4147 -6.9548 -6.9548 -6.7724 -6.7724 -6.6785 -6.6785 -6.6436 -6.6436 -6.3902 -6.3902 -6.1409 -6.1409 -5.9770 -5.9770 -5.9437 -5.9437 -5.9288 -5.9288 -2.4317 -2.4317 -0.5683 -0.5683 -0.2973 -0.2973 0.6207 0.6207 0.7517 0.7517 0.7728 0.7728 1.8056 1.8056 1.8722 1.8722 2.0738 2.0738 2.2197 2.2197 2.4618 2.4618 2.5895 2.5895 k = 0.0000 0.1951 0.3372 ( 10970 PWs) bands (ev): -7.4152 -7.4152 -6.9567 -6.9567 -6.7786 -6.7786 -6.6795 -6.6795 -6.6421 -6.6421 -6.3905 -6.3905 -6.1414 -6.1414 -5.9769 -5.9769 -5.9408 -5.9408 -5.9230 -5.9230 -2.4543 -2.4543 -0.5768 -0.5768 -0.2092 -0.2092 0.6222 0.6222 0.7511 0.7511 0.7641 0.7641 1.7993 1.7993 1.8630 1.8630 2.0542 2.0542 2.2442 2.2442 2.4792 2.4792 2.6011 2.6011 k = 0.0000 0.1788 0.3372 ( 10970 PWs) bands (ev): -7.4157 -7.4157 -6.9586 -6.9586 -6.7846 -6.7846 -6.6805 -6.6805 -6.6407 -6.6407 -6.3907 -6.3907 -6.1417 -6.1417 -5.9768 -5.9768 -5.9380 -5.9380 -5.9172 -5.9172 -2.4757 -2.4757 -0.5852 -0.5852 -0.1185 -0.1185 0.6238 0.6238 0.7505 0.7505 0.7559 0.7559 1.7930 1.7930 1.8515 1.8515 2.0346 2.0346 2.2677 2.2677 2.4976 2.4976 2.6130 2.6130 k = 0.0000 0.1626 0.3372 ( 10958 PWs) bands (ev): -7.4162 -7.4162 -6.9604 -6.9604 -6.7901 -6.7901 -6.6814 -6.6814 -6.6395 -6.6395 -6.3909 -6.3909 -6.1419 -6.1419 -5.9768 -5.9768 -5.9352 -5.9352 -5.9117 -5.9117 -2.4956 -2.4956 -0.5934 -0.5934 -0.0260 -0.0260 0.6253 0.6253 0.7482 0.7482 0.7499 0.7499 1.7867 1.7867 1.8371 1.8371 2.0157 2.0157 2.2899 2.2899 2.5174 2.5174 2.6250 2.6250 k = 0.0000 0.1463 0.3372 ( 10958 PWs) bands (ev): -7.4168 -7.4168 -6.9622 -6.9622 -6.7954 -6.7954 -6.6823 -6.6823 -6.6385 -6.6385 -6.3912 -6.3912 -6.1420 -6.1420 -5.9768 -5.9768 -5.9326 -5.9326 -5.9066 -5.9066 -2.5140 -2.5140 -0.6013 -0.6013 0.0675 0.0675 0.6267 0.6267 0.7412 0.7412 0.7493 0.7493 1.7802 1.7802 1.8192 1.8192 1.9981 1.9981 2.3107 2.3107 2.5386 2.5386 2.6371 2.6371 k = 0.0000 0.1301 0.3372 ( 10936 PWs) bands (ev): -7.4172 -7.4172 -6.9638 -6.9638 -6.8001 -6.8001 -6.6831 -6.6831 -6.6376 -6.6376 -6.3913 -6.3913 -6.1420 -6.1420 -5.9767 -5.9767 -5.9302 -5.9302 -5.9018 -5.9018 -2.5307 -2.5307 -0.6086 -0.6086 0.1612 0.1612 0.6281 0.6281 0.7349 0.7349 0.7488 0.7488 1.7725 1.7725 1.7980 1.7980 1.9825 1.9825 2.3298 2.3298 2.5615 2.5615 2.6490 2.6490 k = 0.0000 0.1138 0.3372 ( 10926 PWs) bands (ev): -7.4177 -7.4177 -6.9654 -6.9654 -6.8044 -6.8044 -6.6839 -6.6839 -6.6368 -6.6368 -6.3915 -6.3915 -6.1420 -6.1420 -5.9766 -5.9766 -5.9280 -5.9280 -5.8974 -5.8974 -2.5456 -2.5456 -0.6153 -0.6153 0.2539 0.2539 0.6294 0.6294 0.7293 0.7293 0.7483 0.7483 1.7575 1.7575 1.7797 1.7797 1.9695 1.9695 2.3470 2.3470 2.5861 2.5861 2.6609 2.6609 k = 0.0000 0.0975 0.3372 ( 10922 PWs) bands (ev): -7.4181 -7.4181 -6.9668 -6.9668 -6.8082 -6.8082 -6.6846 -6.6846 -6.6362 -6.6362 -6.3917 -6.3917 -6.1419 -6.1419 -5.9766 -5.9766 -5.9260 -5.9260 -5.8936 -5.8936 -2.5587 -2.5587 -0.6214 -0.6214 0.3442 0.3442 0.6305 0.6305 0.7244 0.7244 0.7478 0.7478 1.7288 1.7288 1.7710 1.7710 1.9589 1.9589 2.3622 2.3622 2.6123 2.6123 2.6729 2.6729 k = 0.0000 0.0813 0.3372 ( 10924 PWs) bands (ev): -7.4184 -7.4184 -6.9680 -6.9680 -6.8115 -6.8115 -6.6852 -6.6852 -6.6357 -6.6357 -6.3919 -6.3919 -6.1418 -6.1418 -5.9766 -5.9766 -5.9243 -5.9243 -5.8903 -5.8903 -2.5698 -2.5698 -0.6266 -0.6266 0.4301 0.4301 0.6315 0.6315 0.7203 0.7203 0.7475 0.7475 1.6936 1.6936 1.7660 1.7660 1.9507 1.9507 2.3752 2.3752 2.6389 2.6389 2.6866 2.6866 k = 0.0000 0.0650 0.3372 ( 10930 PWs) bands (ev): -7.4187 -7.4187 -6.9691 -6.9691 -6.8142 -6.8142 -6.6857 -6.6857 -6.6353 -6.6353 -6.3921 -6.3921 -6.1418 -6.1418 -5.9766 -5.9766 -5.9229 -5.9229 -5.8875 -5.8875 -2.5789 -2.5789 -0.6310 -0.6310 0.5091 0.5091 0.6324 0.6324 0.7169 0.7169 0.7471 0.7471 1.6561 1.6561 1.7623 1.7623 1.9445 1.9445 2.3859 2.3859 2.6619 2.6619 2.7060 2.7060 k = 0.0000 0.0488 0.3372 ( 10930 PWs) bands (ev): -7.4190 -7.4190 -6.9699 -6.9699 -6.8163 -6.8163 -6.6861 -6.6861 -6.6350 -6.6350 -6.3922 -6.3922 -6.1417 -6.1417 -5.9765 -5.9765 -5.9218 -5.9218 -5.8853 -5.8853 -2.5861 -2.5861 -0.6345 -0.6345 0.5781 0.5781 0.6330 0.6330 0.7142 0.7142 0.7469 0.7469 1.6199 1.6199 1.7595 1.7595 1.9401 1.9401 2.3944 2.3944 2.6766 2.6766 2.7363 2.7363 k = 0.0000 0.0325 0.3372 ( 10934 PWs) bands (ev): -7.4192 -7.4192 -6.9705 -6.9705 -6.8179 -6.8179 -6.6864 -6.6864 -6.6347 -6.6347 -6.3923 -6.3923 -6.1416 -6.1416 -5.9765 -5.9765 -5.9210 -5.9210 -5.8838 -5.8838 -2.5912 -2.5912 -0.6370 -0.6370 0.6326 0.6326 0.6335 0.6335 0.7123 0.7123 0.7467 0.7467 1.5889 1.5889 1.7575 1.7575 1.9370 1.9370 2.4005 2.4005 2.6847 2.6847 2.7757 2.7757 k = 0.0000 0.0163 0.3372 ( 10938 PWs) bands (ev): -7.4193 -7.4193 -6.9709 -6.9709 -6.8188 -6.8188 -6.6866 -6.6866 -6.6346 -6.6346 -6.3923 -6.3923 -6.1415 -6.1415 -5.9765 -5.9765 -5.9205 -5.9205 -5.8829 -5.8829 -2.5943 -2.5943 -0.6386 -0.6386 0.6338 0.6338 0.6681 0.6681 0.7111 0.7111 0.7466 0.7466 1.5676 1.5676 1.7564 1.7564 1.9352 1.9352 2.4041 2.4041 2.6890 2.6890 2.8198 2.8199 k = 0.0000 0.0000 0.3372 ( 10926 PWs) bands (ev): -7.4193 -7.4193 -6.9710 -6.9710 -6.8191 -6.8191 -6.6866 -6.6866 -6.6345 -6.6345 -6.3923 -6.3923 -6.1415 -6.1415 -5.9765 -5.9765 -5.9203 -5.9203 -5.8825 -5.8825 -2.5954 -2.5954 -0.6391 -0.6391 0.6339 0.6339 0.6806 0.6806 0.7106 0.7106 0.7465 0.7465 1.5600 1.5600 1.7560 1.7560 1.9347 1.9347 2.4054 2.4054 2.6903 2.6903 2.8447 2.8447 k = 0.0000 0.4064-0.0000 ( 10948 PWs) bands (ev): -7.4108 -7.4108 -6.9415 -6.9415 -6.7094 -6.7094 -6.6721 -6.6721 -6.6685 -6.6685 -6.3894 -6.3894 -6.1332 -6.1332 -5.9808 -5.9808 -5.9777 -5.9777 -5.9639 -5.9639 -2.3680 -2.3680 -0.9291 -0.9291 -0.2232 -0.2232 0.6042 0.6042 0.7377 0.7377 1.0672 1.0672 1.5942 1.5942 1.9397 1.9397 1.9474 1.9474 2.2939 2.2939 2.5252 2.5252 2.9651 2.9651 k = 0.0000 0.4064 0.0169 ( 10952 PWs) bands (ev): -7.4108 -7.4108 -6.9415 -6.9415 -6.7094 -6.7094 -6.6721 -6.6721 -6.6685 -6.6685 -6.3894 -6.3894 -6.1332 -6.1332 -5.9808 -5.9808 -5.9777 -5.9777 -5.9639 -5.9639 -2.3671 -2.3671 -0.9290 -0.9290 -0.2247 -0.2247 0.6043 0.6043 0.7379 0.7379 1.0660 1.0660 1.5952 1.5952 1.9339 1.9339 1.9505 1.9505 2.2954 2.2954 2.5252 2.5252 2.9513 2.9513 k = 0.0000 0.4064 0.0337 ( 10952 PWs) bands (ev): -7.4108 -7.4108 -6.9415 -6.9415 -6.7094 -6.7094 -6.6721 -6.6721 -6.6685 -6.6685 -6.3894 -6.3894 -6.1332 -6.1332 -5.9808 -5.9808 -5.9777 -5.9777 -5.9639 -5.9639 -2.3646 -2.3646 -0.9289 -0.9289 -0.2290 -0.2290 0.6044 0.6044 0.7382 0.7382 1.0621 1.0621 1.5979 1.5979 1.9228 1.9228 1.9545 1.9545 2.2995 2.2995 2.5250 2.5250 2.9211 2.9211 k = 0.0000 0.4064 0.0506 ( 10954 PWs) bands (ev): -7.4108 -7.4108 -6.9415 -6.9415 -6.7094 -6.7094 -6.6721 -6.6721 -6.6685 -6.6685 -6.3894 -6.3894 -6.1331 -6.1331 -5.9808 -5.9808 -5.9777 -5.9777 -5.9640 -5.9640 -2.3604 -2.3604 -0.9286 -0.9286 -0.2361 -0.2361 0.6045 0.6045 0.7387 0.7387 1.0558 1.0558 1.6025 1.6025 1.9091 1.9091 1.9580 1.9580 2.3053 2.3053 2.5247 2.5247 2.8839 2.8839 k = 0.0000 0.4064 0.0674 ( 10940 PWs) bands (ev): -7.4108 -7.4108 -6.9414 -6.9414 -6.7094 -6.7094 -6.6721 -6.6721 -6.6685 -6.6685 -6.3893 -6.3893 -6.1330 -6.1330 -5.9807 -5.9807 -5.9776 -5.9776 -5.9639 -5.9639 -2.3546 -2.3546 -0.9282 -0.9282 -0.2459 -0.2459 0.6047 0.6047 0.7395 0.7395 1.0470 1.0470 1.6088 1.6088 1.8943 1.8943 1.9614 1.9614 2.3118 2.3118 2.5243 2.5243 2.8424 2.8424 k = 0.0000 0.4064 0.0843 ( 10936 PWs) bands (ev): -7.4108 -7.4108 -6.9414 -6.9414 -6.7094 -6.7094 -6.6721 -6.6721 -6.6685 -6.6685 -6.3892 -6.3892 -6.1329 -6.1329 -5.9807 -5.9807 -5.9776 -5.9776 -5.9639 -5.9639 -2.3473 -2.3473 -0.9277 -0.9277 -0.2583 -0.2583 0.6049 0.6049 0.7404 0.7404 1.0358 1.0358 1.6170 1.6170 1.8800 1.8800 1.9649 1.9649 2.3180 2.3180 2.5237 2.5237 2.7979 2.7979 k = 0.0000 0.4064 0.1011 ( 10936 PWs) bands (ev): -7.4108 -7.4108 -6.9413 -6.9413 -6.7093 -6.7093 -6.6721 -6.6721 -6.6685 -6.6685 -6.3892 -6.3892 -6.1329 -6.1329 -5.9807 -5.9807 -5.9776 -5.9776 -5.9640 -5.9640 -2.3387 -2.3387 -0.9271 -0.9271 -0.2732 -0.2732 0.6052 0.6052 0.7415 0.7415 1.0226 1.0226 1.6268 1.6268 1.8676 1.8676 1.9688 1.9688 2.3234 2.3234 2.5231 2.5231 2.7512 2.7512 k = 0.0000 0.4064 0.1180 ( 10922 PWs) bands (ev): -7.4107 -7.4107 -6.9413 -6.9413 -6.7093 -6.7093 -6.6721 -6.6721 -6.6685 -6.6685 -6.3891 -6.3891 -6.1328 -6.1328 -5.9807 -5.9807 -5.9776 -5.9776 -5.9639 -5.9639 -2.3289 -2.3289 -0.9265 -0.9265 -0.2902 -0.2902 0.6055 0.6055 0.7428 0.7428 1.0076 1.0076 1.6385 1.6385 1.8581 1.8581 1.9730 1.9730 2.3276 2.3276 2.5223 2.5223 2.7031 2.7031 k = 0.0000 0.4064 0.1349 ( 10936 PWs) bands (ev): -7.4107 -7.4107 -6.9412 -6.9412 -6.7093 -6.7093 -6.6721 -6.6721 -6.6685 -6.6685 -6.3891 -6.3891 -6.1327 -6.1327 -5.9807 -5.9807 -5.9776 -5.9776 -5.9640 -5.9640 -2.3180 -2.3180 -0.9258 -0.9258 -0.3091 -0.3091 0.6059 0.6059 0.7441 0.7441 0.9913 0.9913 1.6517 1.6517 1.8519 1.8519 1.9775 1.9775 2.3307 2.3307 2.5214 2.5214 2.6542 2.6542 k = 0.0000 0.4064 0.1517 ( 10934 PWs) bands (ev): -7.4107 -7.4107 -6.9412 -6.9412 -6.7093 -6.7093 -6.6721 -6.6721 -6.6685 -6.6685 -6.3890 -6.3890 -6.1326 -6.1326 -5.9807 -5.9807 -5.9776 -5.9776 -5.9640 -5.9640 -2.3064 -2.3064 -0.9251 -0.9251 -0.3296 -0.3296 0.6063 0.6063 0.7455 0.7455 0.9743 0.9743 1.6666 1.6666 1.8492 1.8492 1.9823 1.9823 2.3327 2.3327 2.5205 2.5205 2.6050 2.6050 k = 0.0000 0.4064 0.1686 ( 10950 PWs) bands (ev): -7.4107 -7.4107 -6.9412 -6.9412 -6.7093 -6.7093 -6.6721 -6.6721 -6.6685 -6.6685 -6.3890 -6.3890 -6.1325 -6.1325 -5.9808 -5.9808 -5.9776 -5.9776 -5.9640 -5.9640 -2.2942 -2.2942 -0.9244 -0.9244 -0.3511 -0.3511 0.6066 0.6066 0.7470 0.7470 0.9571 0.9571 1.6829 1.6829 1.8498 1.8498 1.9872 1.9872 2.3338 2.3338 2.5194 2.5194 2.5562 2.5562 k = 0.0000 0.4064 0.1854 ( 10966 PWs) bands (ev): -7.4107 -7.4107 -6.9411 -6.9411 -6.7093 -6.7093 -6.6722 -6.6722 -6.6685 -6.6685 -6.3889 -6.3889 -6.1324 -6.1324 -5.9808 -5.9808 -5.9777 -5.9777 -5.9641 -5.9641 -2.2817 -2.2817 -0.9237 -0.9237 -0.3731 -0.3731 0.6070 0.6070 0.7485 0.7485 0.9402 0.9402 1.7006 1.7006 1.8534 1.8534 1.9921 1.9921 2.3341 2.3341 2.5073 2.5073 2.5191 2.5191 k = 0.0000 0.4064 0.2023 ( 10968 PWs) bands (ev): -7.4107 -7.4107 -6.9411 -6.9411 -6.7093 -6.7093 -6.6722 -6.6722 -6.6686 -6.6686 -6.3888 -6.3888 -6.1324 -6.1324 -5.9808 -5.9808 -5.9777 -5.9777 -5.9641 -5.9641 -2.2692 -2.2692 -0.9229 -0.9229 -0.3952 -0.3952 0.6074 0.6074 0.7499 0.7499 0.9240 0.9240 1.7194 1.7194 1.8593 1.8593 1.9970 1.9970 2.3339 2.3339 2.4611 2.4611 2.5176 2.5176 k = 0.0000 0.4064 0.2191 ( 10976 PWs) bands (ev): -7.4107 -7.4107 -6.9411 -6.9411 -6.7093 -6.7093 -6.6722 -6.6722 -6.6686 -6.6686 -6.3888 -6.3888 -6.1323 -6.1323 -5.9808 -5.9808 -5.9777 -5.9777 -5.9641 -5.9641 -2.2571 -2.2571 -0.9223 -0.9223 -0.4166 -0.4166 0.6077 0.6077 0.7513 0.7513 0.9091 0.9091 1.7391 1.7391 1.8670 1.8670 2.0015 2.0015 2.3334 2.3334 2.4164 2.4164 2.5166 2.5166 k = 0.0000 0.4064 0.2360 ( 10968 PWs) bands (ev): -7.4107 -7.4107 -6.9410 -6.9410 -6.7093 -6.7093 -6.6722 -6.6722 -6.6686 -6.6686 -6.3887 -6.3887 -6.1322 -6.1322 -5.9808 -5.9808 -5.9777 -5.9777 -5.9641 -5.9641 -2.2457 -2.2457 -0.9216 -0.9216 -0.4369 -0.4369 0.6080 0.6080 0.7526 0.7526 0.8957 0.8957 1.7594 1.7594 1.8756 1.8756 2.0056 2.0056 2.3328 2.3328 2.3742 2.3742 2.5157 2.5157 k = 0.0000 0.4064 0.2529 ( 10964 PWs) bands (ev): -7.4107 -7.4107 -6.9409 -6.9409 -6.7092 -6.7092 -6.6721 -6.6721 -6.6685 -6.6685 -6.3887 -6.3887 -6.1321 -6.1321 -5.9808 -5.9808 -5.9777 -5.9777 -5.9641 -5.9641 -2.2353 -2.2353 -0.9211 -0.9211 -0.4553 -0.4553 0.6083 0.6083 0.7537 0.7537 0.8841 0.8841 1.7796 1.7796 1.8845 1.8845 2.0091 2.0091 2.3317 2.3317 2.3358 2.3358 2.5149 2.5149 k = 0.0000 0.4064 0.2697 ( 10962 PWs) bands (ev): -7.4107 -7.4107 -6.9409 -6.9409 -6.7092 -6.7092 -6.6722 -6.6722 -6.6685 -6.6685 -6.3886 -6.3886 -6.1320 -6.1320 -5.9808 -5.9808 -5.9777 -5.9777 -5.9641 -5.9641 -2.2262 -2.2262 -0.9206 -0.9206 -0.4712 -0.4712 0.6086 0.6086 0.7547 0.7547 0.8744 0.8744 1.7990 1.7990 1.8930 1.8930 2.0118 2.0118 2.3004 2.3004 2.3319 2.3319 2.5142 2.5142 k = 0.0000 0.4064 0.2866 ( 10962 PWs) bands (ev): -7.4107 -7.4107 -6.9409 -6.9409 -6.7092 -6.7092 -6.6722 -6.6722 -6.6685 -6.6685 -6.3886 -6.3886 -6.1320 -6.1320 -5.9808 -5.9808 -5.9777 -5.9777 -5.9641 -5.9641 -2.2188 -2.2188 -0.9202 -0.9202 -0.4843 -0.4843 0.6088 0.6088 0.7555 0.7555 0.8668 0.8668 1.8167 1.8167 1.9004 1.9004 2.0137 2.0137 2.2711 2.2711 2.3315 2.3315 2.5136 2.5136 k = 0.0000 0.4064 0.3034 ( 10960 PWs) bands (ev): -7.4107 -7.4107 -6.9408 -6.9408 -6.7092 -6.7092 -6.6722 -6.6722 -6.6685 -6.6685 -6.3885 -6.3885 -6.1319 -6.1319 -5.9808 -5.9808 -5.9777 -5.9777 -5.9641 -5.9641 -2.2133 -2.2133 -0.9200 -0.9200 -0.4939 -0.4939 0.6089 0.6089 0.7560 0.7560 0.8613 0.8613 1.8310 1.8310 1.9062 1.9062 2.0147 2.0147 2.2485 2.2485 2.3313 2.3313 2.5132 2.5132 k = 0.0000 0.4064 0.3203 ( 10956 PWs) bands (ev): -7.4107 -7.4107 -6.9408 -6.9408 -6.7092 -6.7092 -6.6721 -6.6721 -6.6685 -6.6685 -6.3885 -6.3885 -6.1319 -6.1319 -5.9808 -5.9808 -5.9777 -5.9777 -5.9641 -5.9641 -2.2100 -2.2100 -0.9198 -0.9198 -0.4999 -0.4999 0.6090 0.6090 0.7564 0.7564 0.8579 0.8579 1.8406 1.8406 1.9099 1.9099 2.0151 2.0151 2.2342 2.2342 2.3312 2.3312 2.5129 2.5129 k = 0.0000 0.4064 0.3372 ( 10960 PWs) bands (ev): -7.4106 -7.4106 -6.9408 -6.9408 -6.7092 -6.7092 -6.6721 -6.6721 -6.6686 -6.6686 -6.3885 -6.3885 -6.1319 -6.1319 -5.9808 -5.9808 -5.9777 -5.9777 -5.9641 -5.9641 -2.2088 -2.2088 -0.9197 -0.9197 -0.5019 -0.5019 0.6090 0.6090 0.7565 0.7565 0.8568 0.8568 1.8440 1.8440 1.9112 1.9112 2.0152 2.0152 2.2293 2.2293 2.3312 2.3312 2.5128 2.5128 k = 0.5000-0.0000 0.3372 ( 10976 PWs) bands (ev): -7.1846 -7.1846 -6.9384 -6.9384 -6.7784 -6.7784 -6.6793 -6.6793 -6.4585 -6.4585 -6.3460 -6.3460 -6.1400 -6.1400 -5.9725 -5.9725 -5.9175 -5.9175 -5.8735 -5.8735 -1.7207 -1.7207 0.1754 0.1754 0.5577 0.5577 0.9914 0.9914 1.2965 1.2965 1.6215 1.6215 1.6870 1.6870 1.9035 1.9035 2.0884 2.0884 2.2690 2.2690 2.2927 2.2927 2.7162 2.7162 k = 0.5000-0.0000 0.3203 ( 10962 PWs) bands (ev): -7.1846 -7.1846 -6.9384 -6.9384 -6.7783 -6.7783 -6.6792 -6.6792 -6.4585 -6.4585 -6.3460 -6.3460 -6.1400 -6.1400 -5.9724 -5.9724 -5.9175 -5.9175 -5.8735 -5.8735 -1.7213 -1.7213 0.1737 0.1737 0.5599 0.5599 0.9915 0.9915 1.2969 1.2969 1.6235 1.6235 1.6863 1.6863 1.9032 1.9032 2.0887 2.0887 2.2672 2.2672 2.2932 2.2932 2.7132 2.7132 k = 0.5000-0.0000 0.3034 ( 10970 PWs) bands (ev): -7.1846 -7.1846 -6.9384 -6.9384 -6.7784 -6.7784 -6.6792 -6.6792 -6.4585 -6.4585 -6.3460 -6.3460 -6.1400 -6.1400 -5.9725 -5.9725 -5.9175 -5.9175 -5.8736 -5.8736 -1.7229 -1.7229 0.1686 0.1686 0.5662 0.5662 0.9916 0.9916 1.2983 1.2983 1.6295 1.6295 1.6844 1.6844 1.9022 1.9022 2.0896 2.0896 2.2620 2.2620 2.2946 2.2946 2.7037 2.7038 k = 0.5000-0.0000 0.2866 ( 10960 PWs) bands (ev): -7.1846 -7.1846 -6.9384 -6.9384 -6.7783 -6.7783 -6.6792 -6.6792 -6.4585 -6.4585 -6.3460 -6.3460 -6.1400 -6.1400 -5.9724 -5.9724 -5.9175 -5.9175 -5.8736 -5.8736 -1.7255 -1.7255 0.1604 0.1604 0.5766 0.5766 0.9917 0.9917 1.3003 1.3003 1.6392 1.6392 1.6811 1.6811 1.9008 1.9008 2.0912 2.0912 2.2537 2.2537 2.2966 2.2966 2.6863 2.6864 k = 0.5000-0.0000 0.2697 ( 10958 PWs) bands (ev): -7.1846 -7.1846 -6.9384 -6.9384 -6.7783 -6.7783 -6.6792 -6.6792 -6.4585 -6.4585 -6.3461 -6.3461 -6.1400 -6.1400 -5.9724 -5.9724 -5.9175 -5.9175 -5.8736 -5.8736 -1.7290 -1.7290 0.1494 0.1494 0.5910 0.5910 0.9919 0.9919 1.3029 1.3029 1.6524 1.6524 1.6767 1.6767 1.8989 1.8989 2.0935 2.0935 2.2430 2.2430 2.2992 2.2992 2.6607 2.6607 k = 0.5000-0.0000 0.2529 ( 10950 PWs) bands (ev): -7.1846 -7.1846 -6.9384 -6.9384 -6.7783 -6.7783 -6.6792 -6.6792 -6.4585 -6.4585 -6.3461 -6.3461 -6.1400 -6.1400 -5.9724 -5.9724 -5.9175 -5.9175 -5.8736 -5.8736 -1.7334 -1.7334 0.1359 0.1359 0.6091 0.6091 0.9922 0.9922 1.3058 1.3058 1.6682 1.6682 1.6718 1.6718 1.8969 1.8969 2.0963 2.0963 2.2301 2.2301 2.3023 2.3023 2.6302 2.6302 k = 0.5000-0.0000 0.2360 ( 10958 PWs) bands (ev): -7.1846 -7.1846 -6.9385 -6.9385 -6.7783 -6.7783 -6.6792 -6.6792 -6.4585 -6.4585 -6.3461 -6.3461 -6.1401 -6.1401 -5.9724 -5.9724 -5.9175 -5.9175 -5.8737 -5.8737 -1.7384 -1.7384 0.1206 0.1206 0.6306 0.6306 0.9926 0.9926 1.3088 1.3088 1.6646 1.6646 1.6878 1.6878 1.8949 1.8949 2.0998 2.0998 2.2155 2.2155 2.3058 2.3058 2.5980 2.5980 k = 0.5000-0.0000 0.2191 ( 10946 PWs) bands (ev): -7.1846 -7.1846 -6.9385 -6.9385 -6.7783 -6.7783 -6.6792 -6.6792 -6.4585 -6.4585 -6.3461 -6.3461 -6.1401 -6.1401 -5.9724 -5.9724 -5.9175 -5.9175 -5.8737 -5.8737 -1.7441 -1.7441 0.1039 0.1039 0.6551 0.6551 0.9930 0.9930 1.3118 1.3118 1.6573 1.6573 1.7083 1.7083 1.8934 1.8934 2.1038 2.1038 2.1996 2.1996 2.3098 2.3098 2.5658 2.5658 k = 0.5000-0.0000 0.2023 ( 10932 PWs) bands (ev): -7.1845 -7.1845 -6.9385 -6.9385 -6.7783 -6.7783 -6.6792 -6.6792 -6.4585 -6.4585 -6.3461 -6.3461 -6.1401 -6.1401 -5.9724 -5.9724 -5.9174 -5.9174 -5.8738 -5.8738 -1.7501 -1.7501 0.0864 0.0864 0.6821 0.6821 0.9935 0.9935 1.3146 1.3146 1.6493 1.6493 1.7297 1.7297 1.8930 1.8930 2.1082 2.1082 2.1831 2.1831 2.3141 2.3141 2.5343 2.5343 k = 0.5000-0.0000 0.1854 ( 10934 PWs) bands (ev): -7.1845 -7.1845 -6.9386 -6.9386 -6.7783 -6.7783 -6.6792 -6.6792 -6.4585 -6.4585 -6.3461 -6.3461 -6.1402 -6.1402 -5.9724 -5.9724 -5.9174 -5.9174 -5.8739 -5.8739 -1.7564 -1.7564 0.0684 0.0684 0.7112 0.7112 0.9941 0.9941 1.3172 1.3172 1.6408 1.6408 1.7506 1.7506 1.8944 1.8944 2.1125 2.1125 2.1668 2.1668 2.3185 2.3185 2.5037 2.5037 k = 0.5000-0.0000 0.1686 ( 10950 PWs) bands (ev): -7.1846 -7.1846 -6.9387 -6.9387 -6.7783 -6.7783 -6.6792 -6.6792 -6.4586 -6.4586 -6.3462 -6.3462 -6.1402 -6.1402 -5.9724 -5.9724 -5.9175 -5.9175 -5.8740 -5.8740 -1.7627 -1.7627 0.0506 0.0506 0.7417 0.7417 0.9948 0.9948 1.3195 1.3195 1.6318 1.6318 1.7694 1.7694 1.8988 1.8988 2.1151 2.1151 2.1527 2.1527 2.3231 2.3231 2.4744 2.4744 k = 0.5000-0.0000 0.1517 ( 10946 PWs) bands (ev): -7.1846 -7.1846 -6.9387 -6.9387 -6.7783 -6.7783 -6.6792 -6.6792 -6.4586 -6.4586 -6.3462 -6.3462 -6.1403 -6.1403 -5.9725 -5.9725 -5.9175 -5.9175 -5.8740 -5.8740 -1.7690 -1.7690 0.0333 0.0333 0.7731 0.7731 0.9955 0.9955 1.3216 1.3216 1.6226 1.6226 1.7846 1.7846 1.9072 1.9072 2.1114 2.1114 2.1457 2.1457 2.3274 2.3275 2.4464 2.4464 k = 0.5000-0.0000 0.1349 ( 10942 PWs) bands (ev): -7.1846 -7.1846 -6.9387 -6.9387 -6.7783 -6.7783 -6.6792 -6.6792 -6.4586 -6.4586 -6.3462 -6.3462 -6.1403 -6.1403 -5.9724 -5.9724 -5.9175 -5.9175 -5.8741 -5.8741 -1.7750 -1.7750 0.0169 0.0169 0.8045 0.8045 0.9964 0.9964 1.3234 1.3234 1.6134 1.6134 1.7953 1.7953 1.9199 1.9199 2.0996 2.0996 2.1481 2.1481 2.3314 2.3314 2.4201 2.4201 k = 0.5000-0.0000 0.1180 ( 10946 PWs) bands (ev): -7.1846 -7.1846 -6.9388 -6.9388 -6.7783 -6.7783 -6.6792 -6.6792 -6.4586 -6.4586 -6.3463 -6.3463 -6.1404 -6.1404 -5.9725 -5.9725 -5.9175 -5.9175 -5.8741 -5.8741 -1.7807 -1.7807 0.0016 0.0016 0.8352 0.8352 0.9975 0.9975 1.3249 1.3249 1.6042 1.6042 1.8018 1.8018 1.9362 1.9362 2.0850 2.0850 2.1551 2.1551 2.3342 2.3342 2.3960 2.3960 k = 0.5000-0.0000 0.1011 ( 10958 PWs) bands (ev): -7.1846 -7.1846 -6.9389 -6.9389 -6.7783 -6.7783 -6.6792 -6.6792 -6.4587 -6.4587 -6.3463 -6.3463 -6.1404 -6.1404 -5.9725 -5.9725 -5.9175 -5.9175 -5.8742 -5.8742 -1.7859 -1.7859 -0.0121 -0.0121 0.8643 0.8643 0.9989 0.9989 1.3262 1.3262 1.5953 1.5953 1.8052 1.8052 1.9541 1.9541 2.0705 2.0705 2.1644 2.1644 2.3345 2.3345 2.3754 2.3754 k = 0.5000-0.0000 0.0843 ( 10982 PWs) bands (ev): -7.1847 -7.1847 -6.9390 -6.9390 -6.7784 -6.7784 -6.6793 -6.6793 -6.4587 -6.4587 -6.3464 -6.3464 -6.1405 -6.1405 -5.9725 -5.9725 -5.9176 -5.9176 -5.8743 -5.8743 -1.7904 -1.7904 -0.0241 -0.0241 0.8906 0.8906 1.0006 1.0006 1.3273 1.3273 1.5869 1.5869 1.8066 1.8066 1.9716 1.9716 2.0577 2.0577 2.1749 2.1749 2.3284 2.3284 2.3621 2.3621 k = 0.5000-0.0000 0.0674 ( 10976 PWs) bands (ev): -7.1847 -7.1847 -6.9390 -6.9390 -6.7784 -6.7784 -6.6793 -6.6793 -6.4587 -6.4587 -6.3464 -6.3464 -6.1406 -6.1406 -5.9725 -5.9725 -5.9176 -5.9176 -5.8743 -5.8743 -1.7943 -1.7943 -0.0342 -0.0342 0.9132 0.9132 1.0028 1.0028 1.3282 1.3282 1.5794 1.5794 1.8069 1.8069 1.9866 1.9866 2.0480 2.0480 2.1865 2.1865 2.3143 2.3143 2.3574 2.3574 k = 0.5000-0.0000 0.0506 ( 10958 PWs) bands (ev): -7.1846 -7.1846 -6.9390 -6.9390 -6.7784 -6.7784 -6.6793 -6.6793 -6.4587 -6.4587 -6.3464 -6.3464 -6.1405 -6.1405 -5.9725 -5.9725 -5.9175 -5.9175 -5.8743 -5.8743 -1.7974 -1.7974 -0.0422 -0.0422 0.9310 0.9310 1.0056 1.0056 1.3288 1.3288 1.5729 1.5729 1.8068 1.8068 1.9967 1.9967 2.0429 2.0429 2.1988 2.1988 2.2974 2.2974 2.3564 2.3564 k = 0.5000-0.0000 0.0337 ( 10950 PWs) bands (ev): -7.1846 -7.1846 -6.9390 -6.9390 -6.7784 -6.7784 -6.6792 -6.6792 -6.4587 -6.4587 -6.3463 -6.3463 -6.1406 -6.1406 -5.9724 -5.9724 -5.9175 -5.9175 -5.8743 -5.8743 -1.7997 -1.7997 -0.0480 -0.0480 0.9435 0.9435 1.0086 1.0086 1.3293 1.3293 1.5680 1.5680 1.8065 1.8065 2.0007 2.0007 2.0431 2.0431 2.2114 2.2114 2.2808 2.2808 2.3561 2.3561 k = 0.5000-0.0000 0.0169 ( 10942 PWs) bands (ev): -7.1846 -7.1846 -6.9390 -6.9390 -6.7784 -6.7784 -6.6792 -6.6792 -6.4587 -6.4587 -6.3463 -6.3463 -6.1406 -6.1406 -5.9724 -5.9724 -5.9175 -5.9175 -5.8743 -5.8743 -1.8011 -1.8011 -0.0515 -0.0515 0.9507 0.9507 1.0110 1.0110 1.3296 1.3296 1.5649 1.5649 1.8062 1.8062 2.0010 2.0010 2.0456 2.0456 2.2233 2.2233 2.2664 2.2664 2.3560 2.3560 k = 0.5000-0.0000-0.0000 ( 10938 PWs) bands (ev): -7.1846 -7.1846 -6.9390 -6.9390 -6.7784 -6.7784 -6.6792 -6.6792 -6.4587 -6.4587 -6.3463 -6.3463 -6.1405 -6.1405 -5.9724 -5.9724 -5.9175 -5.9175 -5.8743 -5.8743 -1.8015 -1.8015 -0.0527 -0.0527 0.9530 0.9530 1.0120 1.0120 1.3297 1.3297 1.5638 1.5638 1.8061 1.8061 2.0007 2.0007 2.0468 2.0468 2.2297 2.2297 2.2592 2.2592 2.3559 2.3559 k = 0.5000 0.4064-0.0000 ( 10960 PWs) bands (ev): -7.1670 -7.1670 -6.9077 -6.9077 -6.6705 -6.6705 -6.6700 -6.6700 -6.5015 -6.5015 -6.3369 -6.3369 -6.1289 -6.1289 -5.9838 -5.9838 -5.9726 -5.9726 -5.9668 -5.9668 -1.2471 -1.2471 -0.7548 -0.7548 0.2103 0.2103 1.0751 1.0751 1.3799 1.3799 1.8705 1.8705 2.0881 2.0881 2.1314 2.1314 2.1879 2.1879 2.3309 2.3309 2.3614 2.3614 2.6642 2.6806 k = 0.5000 0.4064 0.0169 ( 10956 PWs) bands (ev): -7.1671 -7.1671 -6.9077 -6.9077 -6.6705 -6.6705 -6.6700 -6.6700 -6.5015 -6.5015 -6.3369 -6.3369 -6.1288 -6.1288 -5.9837 -5.9837 -5.9726 -5.9726 -5.9668 -5.9668 -1.2465 -1.2465 -0.7547 -0.7547 0.2116 0.2116 1.0730 1.0730 1.3802 1.3802 1.8705 1.8705 2.0866 2.0866 2.1322 2.1322 2.1865 2.1865 2.3311 2.3311 2.3624 2.3624 2.6638 2.6638 k = 0.5000 0.4064 0.0337 ( 10948 PWs) bands (ev): -7.1670 -7.1670 -6.9076 -6.9076 -6.6705 -6.6705 -6.6700 -6.6700 -6.5015 -6.5015 -6.3369 -6.3369 -6.1288 -6.1288 -5.9837 -5.9837 -5.9726 -5.9726 -5.9668 -5.9668 -1.2446 -1.2446 -0.7545 -0.7545 0.2152 0.2152 1.0666 1.0666 1.3810 1.3810 1.8703 1.8703 2.0821 2.0821 2.1344 2.1344 2.1826 2.1826 2.3316 2.3316 2.3655 2.3655 2.6643 2.6658 k = 0.5000 0.4064 0.0506 ( 10956 PWs) bands (ev): -7.1671 -7.1671 -6.9076 -6.9076 -6.6706 -6.6706 -6.6700 -6.6700 -6.5015 -6.5015 -6.3369 -6.3369 -6.1287 -6.1287 -5.9838 -5.9838 -5.9726 -5.9726 -5.9668 -5.9668 -1.2416 -1.2416 -0.7542 -0.7542 0.2213 0.2213 1.0561 1.0561 1.3823 1.3823 1.8699 1.8699 2.0746 2.0746 2.1380 2.1380 2.1765 2.1765 2.3324 2.3324 2.3705 2.3705 2.6638 2.6643 k = 0.5000 0.4064 0.0674 ( 10952 PWs) bands (ev): -7.1670 -7.1670 -6.9076 -6.9076 -6.6705 -6.6705 -6.6700 -6.6700 -6.5015 -6.5015 -6.3369 -6.3369 -6.1287 -6.1287 -5.9837 -5.9837 -5.9726 -5.9726 -5.9668 -5.9668 -1.2373 -1.2373 -0.7537 -0.7537 0.2296 0.2296 1.0419 1.0419 1.3842 1.3842 1.8695 1.8695 2.0641 2.0641 2.1419 2.1419 2.1696 2.1696 2.3336 2.3336 2.3774 2.3774 2.6640 2.6640 k = 0.5000 0.4064 0.0843 ( 10964 PWs) bands (ev): -7.1670 -7.1670 -6.9076 -6.9076 -6.6705 -6.6705 -6.6700 -6.6700 -6.5015 -6.5015 -6.3369 -6.3369 -6.1287 -6.1287 -5.9838 -5.9838 -5.9726 -5.9726 -5.9668 -5.9668 -1.2320 -1.2320 -0.7531 -0.7531 0.2401 0.2401 1.0244 1.0244 1.3867 1.3867 1.8689 1.8690 2.0509 2.0509 2.1428 2.1428 2.1653 2.1653 2.3349 2.3349 2.3860 2.3860 2.6642 2.6642 k = 0.5000 0.4064 0.1011 ( 10952 PWs) bands (ev): -7.1670 -7.1670 -6.9075 -6.9075 -6.6705 -6.6705 -6.6700 -6.6700 -6.5015 -6.5015 -6.3368 -6.3368 -6.1286 -6.1286 -5.9837 -5.9837 -5.9726 -5.9726 -5.9668 -5.9668 -1.2258 -1.2258 -0.7525 -0.7525 0.2526 0.2526 1.0039 1.0039 1.3900 1.3900 1.8683 1.8683 2.0350 2.0350 2.1363 2.1363 2.1685 2.1685 2.3365 2.3365 2.3962 2.3962 2.6645 2.6645 k = 0.5000 0.4064 0.1180 ( 10944 PWs) bands (ev): -7.1670 -7.1670 -6.9075 -6.9075 -6.6705 -6.6705 -6.6700 -6.6700 -6.5015 -6.5015 -6.3368 -6.3368 -6.1285 -6.1285 -5.9837 -5.9837 -5.9726 -5.9726 -5.9668 -5.9668 -1.2187 -1.2187 -0.7517 -0.7517 0.2669 0.2669 0.9811 0.9811 1.3941 1.3941 1.8676 1.8676 2.0167 2.0167 2.1252 2.1252 2.1768 2.1768 2.3382 2.3382 2.4078 2.4078 2.6649 2.6649 k = 0.5000 0.4064 0.1349 ( 10932 PWs) bands (ev): -7.1670 -7.1670 -6.9074 -6.9074 -6.6705 -6.6705 -6.6699 -6.6699 -6.5015 -6.5015 -6.3367 -6.3367 -6.1283 -6.1283 -5.9837 -5.9837 -5.9726 -5.9726 -5.9667 -5.9667 -1.2108 -1.2108 -0.7509 -0.7509 0.2826 0.2826 0.9565 0.9565 1.3991 1.3991 1.8668 1.8668 1.9960 1.9960 2.1124 2.1124 2.1873 2.1873 2.3401 2.3401 2.4208 2.4208 2.6653 2.6653 k = 0.5000 0.4064 0.1517 ( 10936 PWs) bands (ev): -7.1670 -7.1670 -6.9074 -6.9074 -6.6705 -6.6705 -6.6699 -6.6699 -6.5015 -6.5015 -6.3367 -6.3367 -6.1283 -6.1283 -5.9837 -5.9837 -5.9726 -5.9726 -5.9667 -5.9667 -1.2025 -1.2025 -0.7501 -0.7501 0.2995 0.2995 0.9307 0.9307 1.4051 1.4051 1.8658 1.8658 1.9732 1.9733 2.0992 2.0992 2.1992 2.1992 2.3420 2.3420 2.4348 2.4348 2.6657 2.6657 k = 0.5000 0.4064 0.1686 ( 10928 PWs) bands (ev): -7.1669 -7.1669 -6.9073 -6.9073 -6.6705 -6.6705 -6.6699 -6.6699 -6.5014 -6.5014 -6.3366 -6.3366 -6.1282 -6.1282 -5.9837 -5.9837 -5.9726 -5.9726 -5.9667 -5.9667 -1.1938 -1.1938 -0.7492 -0.7492 0.3173 0.3173 0.9045 0.9045 1.4122 1.4122 1.8643 1.8643 1.9490 1.9490 2.0860 2.0860 2.2119 2.2119 2.3439 2.3439 2.4497 2.4497 2.6660 2.6660 k = 0.5000 0.4064 0.1854 ( 10948 PWs) bands (ev): -7.1670 -7.1670 -6.9073 -6.9073 -6.6705 -6.6705 -6.6700 -6.6700 -6.5015 -6.5015 -6.3366 -6.3366 -6.1281 -6.1281 -5.9837 -5.9837 -5.9726 -5.9726 -5.9668 -5.9668 -1.1849 -1.1849 -0.7484 -0.7484 0.3354 0.3354 0.8783 0.8783 1.4206 1.4206 1.8617 1.8617 1.9241 1.9241 2.0731 2.0731 2.2253 2.2253 2.3458 2.3458 2.4654 2.4654 2.6664 2.6664 k = 0.5000 0.4064 0.2023 ( 10932 PWs) bands (ev): -7.1669 -7.1669 -6.9072 -6.9072 -6.6705 -6.6705 -6.6699 -6.6699 -6.5014 -6.5014 -6.3365 -6.3365 -6.1280 -6.1280 -5.9837 -5.9837 -5.9726 -5.9726 -5.9667 -5.9667 -1.1761 -1.1761 -0.7475 -0.7475 0.3536 0.3536 0.8529 0.8529 1.4303 1.4303 1.8560 1.8560 1.9009 1.9009 2.0610 2.0610 2.2389 2.2389 2.3476 2.3476 2.4815 2.4815 2.6667 2.6667 k = 0.5000 0.4064 0.2191 ( 10928 PWs) bands (ev): -7.1669 -7.1669 -6.9071 -6.9071 -6.6705 -6.6705 -6.6699 -6.6699 -6.5014 -6.5014 -6.3365 -6.3365 -6.1279 -6.1279 -5.9837 -5.9837 -5.9726 -5.9726 -5.9667 -5.9667 -1.1675 -1.1675 -0.7467 -0.7467 0.3712 0.3712 0.8289 0.8289 1.4414 1.4414 1.8423 1.8423 1.8848 1.8848 2.0499 2.0499 2.2525 2.2525 2.3491 2.3491 2.4980 2.4980 2.6670 2.6670 k = 0.5000 0.4064 0.2360 ( 10920 PWs) bands (ev): -7.1669 -7.1669 -6.9071 -6.9071 -6.6705 -6.6705 -6.6699 -6.6699 -6.5014 -6.5014 -6.3364 -6.3364 -6.1278 -6.1278 -5.9837 -5.9837 -5.9726 -5.9726 -5.9667 -5.9667 -1.1595 -1.1595 -0.7460 -0.7460 0.3879 0.3879 0.8067 0.8067 1.4540 1.4540 1.8193 1.8193 1.8775 1.8775 2.0399 2.0399 2.2658 2.2658 2.3504 2.3504 2.5145 2.5145 2.6672 2.6672 k = 0.5000 0.4064 0.2529 ( 10916 PWs) bands (ev): -7.1669 -7.1669 -6.9070 -6.9070 -6.6705 -6.6705 -6.6699 -6.6699 -6.5014 -6.5014 -6.3364 -6.3364 -6.1277 -6.1277 -5.9837 -5.9837 -5.9725 -5.9725 -5.9667 -5.9667 -1.1523 -1.1523 -0.7453 -0.7453 0.4031 0.4031 0.7870 0.7870 1.4678 1.4678 1.7922 1.7922 1.8746 1.8746 2.0311 2.0311 2.2783 2.2783 2.3514 2.3514 2.5306 2.5306 2.6674 2.6674 k = 0.5000 0.4064 0.2697 ( 10920 PWs) bands (ev): -7.1669 -7.1669 -6.9070 -6.9070 -6.6705 -6.6705 -6.6699 -6.6699 -6.5014 -6.5014 -6.3364 -6.3364 -6.1277 -6.1277 -5.9837 -5.9837 -5.9725 -5.9725 -5.9667 -5.9667 -1.1460 -1.1460 -0.7447 -0.7447 0.4162 0.4162 0.7702 0.7702 1.4825 1.4825 1.7646 1.7646 1.8732 1.8732 2.0238 2.0238 2.2897 2.2897 2.3520 2.3520 2.5458 2.5458 2.6675 2.6675 k = 0.5000 0.4064 0.2866 ( 10932 PWs) bands (ev): -7.1669 -7.1669 -6.9070 -6.9070 -6.6705 -6.6705 -6.6699 -6.6699 -6.5014 -6.5014 -6.3364 -6.3364 -6.1277 -6.1277 -5.9837 -5.9837 -5.9726 -5.9726 -5.9668 -5.9668 -1.1409 -1.1409 -0.7443 -0.7443 0.4270 0.4270 0.7568 0.7568 1.4975 1.4975 1.7387 1.7387 1.8725 1.8725 2.0180 2.0180 2.2995 2.2995 2.3522 2.3522 2.5595 2.5595 2.6676 2.6676 k = 0.5000 0.4064 0.3034 ( 10940 PWs) bands (ev): -7.1669 -7.1669 -6.9070 -6.9070 -6.6705 -6.6705 -6.6700 -6.6700 -6.5014 -6.5014 -6.3364 -6.3364 -6.1277 -6.1277 -5.9837 -5.9837 -5.9726 -5.9726 -5.9668 -5.9668 -1.1372 -1.1372 -0.7439 -0.7439 0.4350 0.4350 0.7469 0.7469 1.5112 1.5112 1.7167 1.7167 1.8721 1.8721 2.0139 2.0139 2.3072 2.3072 2.3520 2.3520 2.5707 2.5707 2.6677 2.6677 k = 0.5000 0.4064 0.3203 ( 10952 PWs) bands (ev): -7.1669 -7.1669 -6.9070 -6.9070 -6.6705 -6.6705 -6.6700 -6.6700 -6.5014 -6.5014 -6.3364 -6.3364 -6.1277 -6.1277 -5.9837 -5.9837 -5.9726 -5.9726 -5.9668 -5.9668 -1.1348 -1.1348 -0.7437 -0.7437 0.4399 0.4399 0.7409 0.7409 1.5215 1.5215 1.7013 1.7013 1.8719 1.8719 2.0113 2.0113 2.3121 2.3121 2.3517 2.3517 2.5782 2.5782 2.6677 2.6677 k = 0.5000 0.4064 0.3372 ( 10944 PWs) bands (ev): -7.1669 -7.1669 -6.9070 -6.9070 -6.6705 -6.6705 -6.6700 -6.6700 -6.5014 -6.5014 -6.3364 -6.3364 -6.1276 -6.1276 -5.9837 -5.9837 -5.9726 -5.9726 -5.9668 -5.9668 -1.1341 -1.1341 -0.7437 -0.7437 0.4416 0.4416 0.7389 0.7389 1.5254 1.5254 1.6956 1.6956 1.8718 1.8718 2.0105 2.0105 2.3139 2.3139 2.3516 2.3516 2.5808 2.5808 2.6678 2.6678 Writing output data file Zr3Cd2.save init_run : 0.80s CPU 0.98s WALL ( 1 calls) electrons : 502.45s CPU 507.59s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.08s CPU 0.12s WALL ( 1 calls) Called by electrons: c_bands : 502.44s CPU 507.58s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.02s WALL ( 1 calls) newd : 0.11s CPU 0.17s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.05s WALL ( 312 calls) cegterg : 473.18s CPU 477.42s WALL ( 1063 calls) Called by sum_band: Called by *egterg: h_psi : 243.55s CPU 247.40s WALL ( 19317 calls) s_psi : 5.82s CPU 6.06s WALL ( 19317 calls) g_psi : 0.50s CPU 0.50s WALL ( 17942 calls) cdiaghg : 197.00s CPU 197.51s WALL ( 18254 calls) cegterg:over : 19.78s CPU 19.73s WALL ( 17942 calls) cegterg:upda : 15.36s CPU 15.51s WALL ( 17942 calls) cegterg:last : 7.59s CPU 7.52s WALL ( 2424 calls) cdiaghg:chol : 7.85s CPU 7.94s WALL ( 18254 calls) cdiaghg:inve : 2.59s CPU 2.71s WALL ( 18254 calls) cdiaghg:para : 12.58s CPU 12.41s WALL ( 36508 calls) Called by h_psi: h_psi:vloc : 224.00s CPU 227.96s WALL ( 19317 calls) h_psi:vnl : 19.11s CPU 18.95s WALL ( 19317 calls) add_vuspsi : 8.84s CPU 8.54s WALL ( 19317 calls) General routines calbec : 10.21s CPU 10.35s WALL ( 19317 calls) fft : 0.05s CPU 0.05s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 209.63s CPU 213.51s WALL ( 1270556 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.18s CPU 0.28s WALL ( 624 calls) Parallel routines fft_scatter : 148.09s CPU 150.74s WALL ( 1270579 calls) PWSCF : 9m 3.68s CPU 9m24.24s WALL This run was terminated on: 6: 5:49 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=