Program PWSCF v.5.4.0 starts on 12Feb2017 at 4: 1:40 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 & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./H2O2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 42 24 7 2432 1062 169 Max 43 25 8 2440 1082 175 Sum 1513 877 261 87631 38653 6239 bravais-lattice index = 14 lattice parameter (alat) = 7.6723 a.u. unit-cell volume = 889.8946 (a.u.)^3 number of atoms/cell = 16 number of atomic types = 2 number of electrons = 56.00 number of Kohn-Sham states= 68 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.672288 celldm(2)= 1.000000 celldm(3)= 1.970443 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.970443 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 0.507500 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) H 1.00 1.00790 H( 1.00) 4 Sym. Ops. (no inversion) found ( 2 have fractional translation) (note: 4 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.9852217 ) isym = 3 180 deg rotation - cart. axis [1,1,0] cryst. s( 3) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 3) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,-1,0] cryst. s( 4) = ( 0 -1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 4) = ( -0.0000000 -1.0000000 0.0000000 ) f =( 0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.9852217 ) double point group D_2 (222) there are 5 classes and 1 irreducible representations the character table: E -E C2 C2' C2'' -C2 -C2' -C2'' G_5 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 [1,1,0] C2'' -C2'' 4 -4 180 deg rotation - cart. axis [1,-1,0] Cartesian axes number of k points= 335 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029851 k( 2) = ( 0.0000000 0.0128205 -0.0000000), wk = 0.0029851 k( 3) = ( 0.0000000 0.0256410 -0.0000000), wk = 0.0029851 k( 4) = ( 0.0000000 0.0384615 -0.0000000), wk = 0.0029851 k( 5) = ( 0.0000000 0.0512821 -0.0000000), wk = 0.0029851 k( 6) = ( 0.0000000 0.0641026 -0.0000000), wk = 0.0029851 k( 7) = ( 0.0000000 0.0769231 -0.0000000), wk = 0.0029851 k( 8) = ( 0.0000000 0.0897436 -0.0000000), wk = 0.0029851 k( 9) = ( 0.0000000 0.1025641 -0.0000000), wk = 0.0029851 k( 10) = ( 0.0000000 0.1153846 -0.0000000), wk = 0.0029851 k( 11) = ( 0.0000000 0.1282051 -0.0000000), wk = 0.0029851 k( 12) = ( 0.0000000 0.1410256 -0.0000000), wk = 0.0029851 k( 13) = ( 0.0000000 0.1538461 -0.0000000), wk = 0.0029851 k( 14) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0029851 k( 15) = ( 0.0000000 0.1794872 -0.0000000), wk = 0.0029851 k( 16) = ( 0.0000000 0.1923077 -0.0000000), wk = 0.0029851 k( 17) = ( 0.0000000 0.2051282 -0.0000000), wk = 0.0029851 k( 18) = ( 0.0000000 0.2179487 -0.0000000), wk = 0.0029851 k( 19) = ( 0.0000000 0.2307692 -0.0000000), wk = 0.0029851 k( 20) = ( 0.0000000 0.2435897 -0.0000000), wk = 0.0029851 k( 21) = ( 0.0000000 0.2564103 -0.0000000), wk = 0.0029851 k( 22) = ( 0.0000000 0.2692308 -0.0000000), wk = 0.0029851 k( 23) = ( 0.0000000 0.2820513 -0.0000000), wk = 0.0029851 k( 24) = ( 0.0000000 0.2948718 -0.0000000), wk = 0.0029851 k( 25) = ( 0.0000000 0.3076923 -0.0000000), wk = 0.0029851 k( 26) = ( 0.0000000 0.3205128 -0.0000000), wk = 0.0029851 k( 27) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0029851 k( 28) = ( 0.0000000 0.3461538 -0.0000000), wk = 0.0029851 k( 29) = ( 0.0000000 0.3589744 -0.0000000), wk = 0.0029851 k( 30) = ( 0.0000000 0.3717949 -0.0000000), wk = 0.0029851 k( 31) = ( 0.0000000 0.3846154 -0.0000000), wk = 0.0029851 k( 32) = ( 0.0000000 0.3974359 -0.0000000), wk = 0.0029851 k( 33) = ( 0.0000000 0.4102564 -0.0000000), wk = 0.0029851 k( 34) = ( 0.0000000 0.4230769 -0.0000000), wk = 0.0029851 k( 35) = ( 0.0000000 0.4358974 -0.0000000), wk = 0.0029851 k( 36) = ( 0.0000000 0.4487179 -0.0000000), wk = 0.0029851 k( 37) = ( 0.0000000 0.4615385 -0.0000000), wk = 0.0029851 k( 38) = ( 0.0000000 0.4743590 -0.0000000), wk = 0.0029851 k( 39) = ( 0.0000000 0.4871795 -0.0000000), wk = 0.0029851 k( 40) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029851 k( 41) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029851 k( 42) = ( 0.0128205 0.5000000 -0.0000000), wk = 0.0029851 k( 43) = ( 0.0256410 0.5000000 -0.0000000), wk = 0.0029851 k( 44) = ( 0.0384615 0.5000000 -0.0000000), wk = 0.0029851 k( 45) = ( 0.0512821 0.5000000 -0.0000000), wk = 0.0029851 k( 46) = ( 0.0641026 0.5000000 -0.0000000), wk = 0.0029851 k( 47) = ( 0.0769231 0.5000000 -0.0000000), wk = 0.0029851 k( 48) = ( 0.0897436 0.5000000 -0.0000000), wk = 0.0029851 k( 49) = ( 0.1025641 0.5000000 -0.0000000), wk = 0.0029851 k( 50) = ( 0.1153846 0.5000000 -0.0000000), wk = 0.0029851 k( 51) = ( 0.1282051 0.5000000 -0.0000000), wk = 0.0029851 k( 52) = ( 0.1410256 0.5000000 -0.0000000), wk = 0.0029851 k( 53) = ( 0.1538461 0.5000000 -0.0000000), wk = 0.0029851 k( 54) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0029851 k( 55) = ( 0.1794872 0.5000000 -0.0000000), wk = 0.0029851 k( 56) = ( 0.1923077 0.5000000 -0.0000000), wk = 0.0029851 k( 57) = ( 0.2051282 0.5000000 -0.0000000), wk = 0.0029851 k( 58) = ( 0.2179487 0.5000000 -0.0000000), wk = 0.0029851 k( 59) = ( 0.2307692 0.5000000 -0.0000000), wk = 0.0029851 k( 60) = ( 0.2435897 0.5000000 -0.0000000), wk = 0.0029851 k( 61) = ( 0.2564103 0.5000000 -0.0000000), wk = 0.0029851 k( 62) = ( 0.2692308 0.5000000 -0.0000000), wk = 0.0029851 k( 63) = ( 0.2820513 0.5000000 -0.0000000), wk = 0.0029851 k( 64) = ( 0.2948718 0.5000000 -0.0000000), wk = 0.0029851 k( 65) = ( 0.3076923 0.5000000 -0.0000000), wk = 0.0029851 k( 66) = ( 0.3205128 0.5000000 -0.0000000), wk = 0.0029851 k( 67) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0029851 k( 68) = ( 0.3461538 0.5000000 -0.0000000), wk = 0.0029851 k( 69) = ( 0.3589744 0.5000000 -0.0000000), wk = 0.0029851 k( 70) = ( 0.3717949 0.5000000 -0.0000000), wk = 0.0029851 k( 71) = ( 0.3846154 0.5000000 -0.0000000), wk = 0.0029851 k( 72) = ( 0.3974359 0.5000000 -0.0000000), wk = 0.0029851 k( 73) = ( 0.4102564 0.5000000 -0.0000000), wk = 0.0029851 k( 74) = ( 0.4230769 0.5000000 -0.0000000), wk = 0.0029851 k( 75) = ( 0.4358974 0.5000000 -0.0000000), wk = 0.0029851 k( 76) = ( 0.4487179 0.5000000 -0.0000000), wk = 0.0029851 k( 77) = ( 0.4615385 0.5000000 -0.0000000), wk = 0.0029851 k( 78) = ( 0.4743590 0.5000000 -0.0000000), wk = 0.0029851 k( 79) = ( 0.4871795 0.5000000 -0.0000000), wk = 0.0029851 k( 80) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029851 k( 81) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029851 k( 82) = ( 0.4909091 0.4909091 -0.0000000), wk = 0.0029851 k( 83) = ( 0.4818182 0.4818182 -0.0000000), wk = 0.0029851 k( 84) = ( 0.4727273 0.4727273 -0.0000000), wk = 0.0029851 k( 85) = ( 0.4636364 0.4636364 -0.0000000), wk = 0.0029851 k( 86) = ( 0.4545455 0.4545454 -0.0000000), wk = 0.0029851 k( 87) = ( 0.4454546 0.4454545 -0.0000000), wk = 0.0029851 k( 88) = ( 0.4363636 0.4363636 -0.0000000), wk = 0.0029851 k( 89) = ( 0.4272727 0.4272727 -0.0000000), wk = 0.0029851 k( 90) = ( 0.4181818 0.4181818 -0.0000000), wk = 0.0029851 k( 91) = ( 0.4090909 0.4090909 -0.0000000), wk = 0.0029851 k( 92) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0029851 k( 93) = ( 0.3909091 0.3909091 -0.0000000), wk = 0.0029851 k( 94) = ( 0.3818182 0.3818182 -0.0000000), wk = 0.0029851 k( 95) = ( 0.3727273 0.3727273 -0.0000000), wk = 0.0029851 k( 96) = ( 0.3636364 0.3636364 -0.0000000), wk = 0.0029851 k( 97) = ( 0.3545454 0.3545454 -0.0000000), wk = 0.0029851 k( 98) = ( 0.3454546 0.3454545 -0.0000000), wk = 0.0029851 k( 99) = ( 0.3363636 0.3363636 -0.0000000), wk = 0.0029851 k( 100) = ( 0.3272727 0.3272727 -0.0000000), wk = 0.0029851 k( 101) = ( 0.3181818 0.3181818 -0.0000000), wk = 0.0029851 k( 102) = ( 0.3090909 0.3090909 -0.0000000), wk = 0.0029851 k( 103) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0029851 k( 104) = ( 0.2909091 0.2909091 -0.0000000), wk = 0.0029851 k( 105) = ( 0.2818182 0.2818182 -0.0000000), wk = 0.0029851 k( 106) = ( 0.2727273 0.2727273 -0.0000000), wk = 0.0029851 k( 107) = ( 0.2636364 0.2636364 -0.0000000), wk = 0.0029851 k( 108) = ( 0.2545455 0.2545455 -0.0000000), wk = 0.0029851 k( 109) = ( 0.2454545 0.2454545 -0.0000000), wk = 0.0029851 k( 110) = ( 0.2363636 0.2363636 -0.0000000), wk = 0.0029851 k( 111) = ( 0.2272727 0.2272727 -0.0000000), wk = 0.0029851 k( 112) = ( 0.2181818 0.2181818 -0.0000000), wk = 0.0029851 k( 113) = ( 0.2090909 0.2090909 -0.0000000), wk = 0.0029851 k( 114) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0029851 k( 115) = ( 0.1909091 0.1909091 -0.0000000), wk = 0.0029851 k( 116) = ( 0.1818182 0.1818182 -0.0000000), wk = 0.0029851 k( 117) = ( 0.1727273 0.1727273 -0.0000000), wk = 0.0029851 k( 118) = ( 0.1636364 0.1636364 -0.0000000), wk = 0.0029851 k( 119) = ( 0.1545455 0.1545454 -0.0000000), wk = 0.0029851 k( 120) = ( 0.1454545 0.1454545 -0.0000000), wk = 0.0029851 k( 121) = ( 0.1363636 0.1363636 -0.0000000), wk = 0.0029851 k( 122) = ( 0.1272727 0.1272727 -0.0000000), wk = 0.0029851 k( 123) = ( 0.1181818 0.1181818 -0.0000000), wk = 0.0029851 k( 124) = ( 0.1090909 0.1090909 -0.0000000), wk = 0.0029851 k( 125) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0029851 k( 126) = ( 0.0909091 0.0909091 -0.0000000), wk = 0.0029851 k( 127) = ( 0.0818182 0.0818182 -0.0000000), wk = 0.0029851 k( 128) = ( 0.0727273 0.0727273 -0.0000000), wk = 0.0029851 k( 129) = ( 0.0636364 0.0636364 -0.0000000), wk = 0.0029851 k( 130) = ( 0.0545455 0.0545454 -0.0000000), wk = 0.0029851 k( 131) = ( 0.0454546 0.0454545 -0.0000000), wk = 0.0029851 k( 132) = ( 0.0363636 0.0363636 -0.0000000), wk = 0.0029851 k( 133) = ( 0.0272727 0.0272727 -0.0000000), wk = 0.0029851 k( 134) = ( 0.0181818 0.0181818 -0.0000000), wk = 0.0029851 k( 135) = ( 0.0090909 0.0090909 -0.0000000), wk = 0.0029851 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029851 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029851 k( 138) = ( 0.0000000 0.0000000 0.0126875), wk = 0.0029851 k( 139) = ( 0.0000000 0.0000000 0.0253750), wk = 0.0029851 k( 140) = ( 0.0000000 0.0000000 0.0380625), wk = 0.0029851 k( 141) = ( 0.0000000 0.0000000 0.0507500), wk = 0.0029851 k( 142) = ( 0.0000000 0.0000000 0.0634375), wk = 0.0029851 k( 143) = ( 0.0000000 0.0000000 0.0761250), wk = 0.0029851 k( 144) = ( 0.0000000 0.0000000 0.0888125), wk = 0.0029851 k( 145) = ( 0.0000000 0.0000000 0.1015000), wk = 0.0029851 k( 146) = ( 0.0000000 0.0000000 0.1141875), wk = 0.0029851 k( 147) = ( 0.0000000 0.0000000 0.1268750), wk = 0.0029851 k( 148) = ( 0.0000000 0.0000000 0.1395625), wk = 0.0029851 k( 149) = ( 0.0000000 0.0000000 0.1522500), wk = 0.0029851 k( 150) = ( 0.0000000 0.0000000 0.1649375), wk = 0.0029851 k( 151) = ( 0.0000000 0.0000000 0.1776250), wk = 0.0029851 k( 152) = ( 0.0000000 0.0000000 0.1903125), wk = 0.0029851 k( 153) = ( 0.0000000 0.0000000 0.2030000), wk = 0.0029851 k( 154) = ( 0.0000000 0.0000000 0.2156875), wk = 0.0029851 k( 155) = ( 0.0000000 0.0000000 0.2283750), wk = 0.0029851 k( 156) = ( 0.0000000 0.0000000 0.2410625), wk = 0.0029851 k( 157) = ( 0.0000000 0.0000000 0.2537500), wk = 0.0029851 k( 158) = ( 0.0000000 0.0000000 0.2537500), wk = 0.0029851 k( 159) = ( 0.0000000 0.0128205 0.2537500), wk = 0.0029851 k( 160) = ( 0.0000000 0.0256410 0.2537500), wk = 0.0029851 k( 161) = ( 0.0000000 0.0384615 0.2537500), wk = 0.0029851 k( 162) = ( 0.0000000 0.0512821 0.2537500), wk = 0.0029851 k( 163) = ( 0.0000000 0.0641026 0.2537500), wk = 0.0029851 k( 164) = ( 0.0000000 0.0769231 0.2537500), wk = 0.0029851 k( 165) = ( 0.0000000 0.0897436 0.2537500), wk = 0.0029851 k( 166) = ( 0.0000000 0.1025641 0.2537500), wk = 0.0029851 k( 167) = ( 0.0000000 0.1153846 0.2537500), wk = 0.0029851 k( 168) = ( 0.0000000 0.1282051 0.2537500), wk = 0.0029851 k( 169) = ( 0.0000000 0.1410256 0.2537500), wk = 0.0029851 k( 170) = ( 0.0000000 0.1538461 0.2537500), wk = 0.0029851 k( 171) = ( 0.0000000 0.1666667 0.2537500), wk = 0.0029851 k( 172) = ( 0.0000000 0.1794872 0.2537500), wk = 0.0029851 k( 173) = ( 0.0000000 0.1923077 0.2537500), wk = 0.0029851 k( 174) = ( 0.0000000 0.2051282 0.2537500), wk = 0.0029851 k( 175) = ( 0.0000000 0.2179487 0.2537500), wk = 0.0029851 k( 176) = ( 0.0000000 0.2307692 0.2537500), wk = 0.0029851 k( 177) = ( 0.0000000 0.2435897 0.2537500), wk = 0.0029851 k( 178) = ( 0.0000000 0.2564103 0.2537500), wk = 0.0029851 k( 179) = ( 0.0000000 0.2692308 0.2537500), wk = 0.0029851 k( 180) = ( 0.0000000 0.2820513 0.2537500), wk = 0.0029851 k( 181) = ( 0.0000000 0.2948718 0.2537500), wk = 0.0029851 k( 182) = ( 0.0000000 0.3076923 0.2537500), wk = 0.0029851 k( 183) = ( 0.0000000 0.3205128 0.2537500), wk = 0.0029851 k( 184) = ( 0.0000000 0.3333333 0.2537500), wk = 0.0029851 k( 185) = ( 0.0000000 0.3461538 0.2537500), wk = 0.0029851 k( 186) = ( 0.0000000 0.3589744 0.2537500), wk = 0.0029851 k( 187) = ( 0.0000000 0.3717949 0.2537500), wk = 0.0029851 k( 188) = ( 0.0000000 0.3846154 0.2537500), wk = 0.0029851 k( 189) = ( 0.0000000 0.3974359 0.2537500), wk = 0.0029851 k( 190) = ( 0.0000000 0.4102564 0.2537500), wk = 0.0029851 k( 191) = ( 0.0000000 0.4230769 0.2537500), wk = 0.0029851 k( 192) = ( 0.0000000 0.4358974 0.2537500), wk = 0.0029851 k( 193) = ( 0.0000000 0.4487179 0.2537500), wk = 0.0029851 k( 194) = ( 0.0000000 0.4615385 0.2537500), wk = 0.0029851 k( 195) = ( 0.0000000 0.4743590 0.2537500), wk = 0.0029851 k( 196) = ( 0.0000000 0.4871795 0.2537500), wk = 0.0029851 k( 197) = ( 0.0000000 0.5000000 0.2537500), wk = 0.0029851 k( 198) = ( 0.0000000 0.5000000 0.2537500), wk = 0.0029851 k( 199) = ( 0.0128205 0.5000000 0.2537500), wk = 0.0029851 k( 200) = ( 0.0256410 0.5000000 0.2537500), wk = 0.0029851 k( 201) = ( 0.0384615 0.5000000 0.2537500), wk = 0.0029851 k( 202) = ( 0.0512821 0.5000000 0.2537500), wk = 0.0029851 k( 203) = ( 0.0641026 0.5000000 0.2537500), wk = 0.0029851 k( 204) = ( 0.0769231 0.5000000 0.2537500), wk = 0.0029851 k( 205) = ( 0.0897436 0.5000000 0.2537500), wk = 0.0029851 k( 206) = ( 0.1025641 0.5000000 0.2537500), wk = 0.0029851 k( 207) = ( 0.1153846 0.5000000 0.2537500), wk = 0.0029851 k( 208) = ( 0.1282051 0.5000000 0.2537500), wk = 0.0029851 k( 209) = ( 0.1410256 0.5000000 0.2537500), wk = 0.0029851 k( 210) = ( 0.1538461 0.5000000 0.2537500), wk = 0.0029851 k( 211) = ( 0.1666667 0.5000000 0.2537500), wk = 0.0029851 k( 212) = ( 0.1794872 0.5000000 0.2537500), wk = 0.0029851 k( 213) = ( 0.1923077 0.5000000 0.2537500), wk = 0.0029851 k( 214) = ( 0.2051282 0.5000000 0.2537500), wk = 0.0029851 k( 215) = ( 0.2179487 0.5000000 0.2537500), wk = 0.0029851 k( 216) = ( 0.2307692 0.5000000 0.2537500), wk = 0.0029851 k( 217) = ( 0.2435897 0.5000000 0.2537500), wk = 0.0029851 k( 218) = ( 0.2564103 0.5000000 0.2537500), wk = 0.0029851 k( 219) = ( 0.2692308 0.5000000 0.2537500), wk = 0.0029851 k( 220) = ( 0.2820513 0.5000000 0.2537500), wk = 0.0029851 k( 221) = ( 0.2948718 0.5000000 0.2537500), wk = 0.0029851 k( 222) = ( 0.3076923 0.5000000 0.2537500), wk = 0.0029851 k( 223) = ( 0.3205128 0.5000000 0.2537500), wk = 0.0029851 k( 224) = ( 0.3333333 0.5000000 0.2537500), wk = 0.0029851 k( 225) = ( 0.3461538 0.5000000 0.2537500), wk = 0.0029851 k( 226) = ( 0.3589744 0.5000000 0.2537500), wk = 0.0029851 k( 227) = ( 0.3717949 0.5000000 0.2537500), wk = 0.0029851 k( 228) = ( 0.3846154 0.5000000 0.2537500), wk = 0.0029851 k( 229) = ( 0.3974359 0.5000000 0.2537500), wk = 0.0029851 k( 230) = ( 0.4102564 0.5000000 0.2537500), wk = 0.0029851 k( 231) = ( 0.4230769 0.5000000 0.2537500), wk = 0.0029851 k( 232) = ( 0.4358974 0.5000000 0.2537500), wk = 0.0029851 k( 233) = ( 0.4487179 0.5000000 0.2537500), wk = 0.0029851 k( 234) = ( 0.4615385 0.5000000 0.2537500), wk = 0.0029851 k( 235) = ( 0.4743590 0.5000000 0.2537500), wk = 0.0029851 k( 236) = ( 0.4871795 0.5000000 0.2537500), wk = 0.0029851 k( 237) = ( 0.5000000 0.5000000 0.2537500), wk = 0.0029851 k( 238) = ( 0.5000000 0.5000000 0.2537500), wk = 0.0029851 k( 239) = ( 0.4909091 0.4909091 0.2537500), wk = 0.0029851 k( 240) = ( 0.4818182 0.4818182 0.2537500), wk = 0.0029851 k( 241) = ( 0.4727273 0.4727273 0.2537500), wk = 0.0029851 k( 242) = ( 0.4636364 0.4636364 0.2537500), wk = 0.0029851 k( 243) = ( 0.4545455 0.4545454 0.2537500), wk = 0.0029851 k( 244) = ( 0.4454546 0.4454545 0.2537500), wk = 0.0029851 k( 245) = ( 0.4363636 0.4363636 0.2537500), wk = 0.0029851 k( 246) = ( 0.4272727 0.4272727 0.2537500), wk = 0.0029851 k( 247) = ( 0.4181818 0.4181818 0.2537500), wk = 0.0029851 k( 248) = ( 0.4090909 0.4090909 0.2537500), wk = 0.0029851 k( 249) = ( 0.4000000 0.4000000 0.2537500), wk = 0.0029851 k( 250) = ( 0.3909091 0.3909091 0.2537500), wk = 0.0029851 k( 251) = ( 0.3818182 0.3818182 0.2537500), wk = 0.0029851 k( 252) = ( 0.3727273 0.3727273 0.2537500), wk = 0.0029851 k( 253) = ( 0.3636364 0.3636364 0.2537500), wk = 0.0029851 k( 254) = ( 0.3545454 0.3545454 0.2537500), wk = 0.0029851 k( 255) = ( 0.3454546 0.3454545 0.2537500), wk = 0.0029851 k( 256) = ( 0.3363636 0.3363636 0.2537500), wk = 0.0029851 k( 257) = ( 0.3272727 0.3272727 0.2537500), wk = 0.0029851 k( 258) = ( 0.3181818 0.3181818 0.2537500), wk = 0.0029851 k( 259) = ( 0.3090909 0.3090909 0.2537500), wk = 0.0029851 k( 260) = ( 0.3000000 0.3000000 0.2537500), wk = 0.0029851 k( 261) = ( 0.2909091 0.2909091 0.2537500), wk = 0.0029851 k( 262) = ( 0.2818182 0.2818182 0.2537500), wk = 0.0029851 k( 263) = ( 0.2727273 0.2727273 0.2537500), wk = 0.0029851 k( 264) = ( 0.2636364 0.2636364 0.2537500), wk = 0.0029851 k( 265) = ( 0.2545455 0.2545455 0.2537500), wk = 0.0029851 k( 266) = ( 0.2454545 0.2454545 0.2537500), wk = 0.0029851 k( 267) = ( 0.2363636 0.2363636 0.2537500), wk = 0.0029851 k( 268) = ( 0.2272727 0.2272727 0.2537500), wk = 0.0029851 k( 269) = ( 0.2181818 0.2181818 0.2537500), wk = 0.0029851 k( 270) = ( 0.2090909 0.2090909 0.2537500), wk = 0.0029851 k( 271) = ( 0.2000000 0.2000000 0.2537500), wk = 0.0029851 k( 272) = ( 0.1909091 0.1909091 0.2537500), wk = 0.0029851 k( 273) = ( 0.1818182 0.1818182 0.2537500), wk = 0.0029851 k( 274) = ( 0.1727273 0.1727273 0.2537500), wk = 0.0029851 k( 275) = ( 0.1636364 0.1636364 0.2537500), wk = 0.0029851 k( 276) = ( 0.1545455 0.1545454 0.2537500), wk = 0.0029851 k( 277) = ( 0.1454545 0.1454545 0.2537500), wk = 0.0029851 k( 278) = ( 0.1363636 0.1363636 0.2537500), wk = 0.0029851 k( 279) = ( 0.1272727 0.1272727 0.2537500), wk = 0.0029851 k( 280) = ( 0.1181818 0.1181818 0.2537500), wk = 0.0029851 k( 281) = ( 0.1090909 0.1090909 0.2537500), wk = 0.0029851 k( 282) = ( 0.1000000 0.1000000 0.2537500), wk = 0.0029851 k( 283) = ( 0.0909091 0.0909091 0.2537500), wk = 0.0029851 k( 284) = ( 0.0818182 0.0818182 0.2537500), wk = 0.0029851 k( 285) = ( 0.0727273 0.0727273 0.2537500), wk = 0.0029851 k( 286) = ( 0.0636364 0.0636364 0.2537500), wk = 0.0029851 k( 287) = ( 0.0545455 0.0545454 0.2537500), wk = 0.0029851 k( 288) = ( 0.0454546 0.0454545 0.2537500), wk = 0.0029851 k( 289) = ( 0.0363636 0.0363636 0.2537500), wk = 0.0029851 k( 290) = ( 0.0272727 0.0272727 0.2537500), wk = 0.0029851 k( 291) = ( 0.0181818 0.0181818 0.2537500), wk = 0.0029851 k( 292) = ( 0.0090909 0.0090909 0.2537500), wk = 0.0029851 k( 293) = ( 0.0000000 0.0000000 0.2537500), wk = 0.0029851 k( 294) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029851 k( 295) = ( 0.0000000 0.5000000 0.0126875), wk = 0.0029851 k( 296) = ( 0.0000000 0.5000000 0.0253750), wk = 0.0029851 k( 297) = ( 0.0000000 0.5000000 0.0380625), wk = 0.0029851 k( 298) = ( 0.0000000 0.5000000 0.0507500), wk = 0.0029851 k( 299) = ( 0.0000000 0.5000000 0.0634375), wk = 0.0029851 k( 300) = ( 0.0000000 0.5000000 0.0761250), wk = 0.0029851 k( 301) = ( 0.0000000 0.5000000 0.0888125), wk = 0.0029851 k( 302) = ( 0.0000000 0.5000000 0.1015000), wk = 0.0029851 k( 303) = ( 0.0000000 0.5000000 0.1141875), wk = 0.0029851 k( 304) = ( 0.0000000 0.5000000 0.1268750), wk = 0.0029851 k( 305) = ( 0.0000000 0.5000000 0.1395625), wk = 0.0029851 k( 306) = ( 0.0000000 0.5000000 0.1522500), wk = 0.0029851 k( 307) = ( 0.0000000 0.5000000 0.1649375), wk = 0.0029851 k( 308) = ( 0.0000000 0.5000000 0.1776250), wk = 0.0029851 k( 309) = ( 0.0000000 0.5000000 0.1903125), wk = 0.0029851 k( 310) = ( 0.0000000 0.5000000 0.2030000), wk = 0.0029851 k( 311) = ( 0.0000000 0.5000000 0.2156875), wk = 0.0029851 k( 312) = ( 0.0000000 0.5000000 0.2283750), wk = 0.0029851 k( 313) = ( 0.0000000 0.5000000 0.2410625), wk = 0.0029851 k( 314) = ( 0.0000000 0.5000000 0.2537500), wk = 0.0029851 k( 315) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029851 k( 316) = ( 0.5000000 0.5000000 0.0126875), wk = 0.0029851 k( 317) = ( 0.5000000 0.5000000 0.0253750), wk = 0.0029851 k( 318) = ( 0.5000000 0.5000000 0.0380625), wk = 0.0029851 k( 319) = ( 0.5000000 0.5000000 0.0507500), wk = 0.0029851 k( 320) = ( 0.5000000 0.5000000 0.0634375), wk = 0.0029851 k( 321) = ( 0.5000000 0.5000000 0.0761250), wk = 0.0029851 k( 322) = ( 0.5000000 0.5000000 0.0888125), wk = 0.0029851 k( 323) = ( 0.5000000 0.5000000 0.1015000), wk = 0.0029851 k( 324) = ( 0.5000000 0.5000000 0.1141875), wk = 0.0029851 k( 325) = ( 0.5000000 0.5000000 0.1268750), wk = 0.0029851 k( 326) = ( 0.5000000 0.5000000 0.1395625), wk = 0.0029851 k( 327) = ( 0.5000000 0.5000000 0.1522500), wk = 0.0029851 k( 328) = ( 0.5000000 0.5000000 0.1649375), wk = 0.0029851 k( 329) = ( 0.5000000 0.5000000 0.1776250), wk = 0.0029851 k( 330) = ( 0.5000000 0.5000000 0.1903125), wk = 0.0029851 k( 331) = ( 0.5000000 0.5000000 0.2030000), wk = 0.0029851 k( 332) = ( 0.5000000 0.5000000 0.2156875), wk = 0.0029851 k( 333) = ( 0.5000000 0.5000000 0.2283750), wk = 0.0029851 k( 334) = ( 0.5000000 0.5000000 0.2410625), wk = 0.0029851 k( 335) = ( 0.5000000 0.5000000 0.2537500), wk = 0.0029851 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029851 k( 2) = ( 0.0000000 0.0128205 0.0000000), wk = 0.0029851 k( 3) = ( 0.0000000 0.0256410 -0.0000000), wk = 0.0029851 k( 4) = ( 0.0000000 0.0384615 -0.0000000), wk = 0.0029851 k( 5) = ( 0.0000000 0.0512821 0.0000000), wk = 0.0029851 k( 6) = ( 0.0000000 0.0641026 -0.0000000), wk = 0.0029851 k( 7) = ( 0.0000000 0.0769231 -0.0000000), wk = 0.0029851 k( 8) = ( 0.0000000 0.0897436 0.0000000), wk = 0.0029851 k( 9) = ( 0.0000000 0.1025641 0.0000000), wk = 0.0029851 k( 10) = ( 0.0000000 0.1153846 -0.0000000), wk = 0.0029851 k( 11) = ( 0.0000000 0.1282051 -0.0000000), wk = 0.0029851 k( 12) = ( 0.0000000 0.1410256 0.0000000), wk = 0.0029851 k( 13) = ( 0.0000000 0.1538461 -0.0000000), wk = 0.0029851 k( 14) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0029851 k( 15) = ( 0.0000000 0.1794872 0.0000000), wk = 0.0029851 k( 16) = ( 0.0000000 0.1923077 -0.0000000), wk = 0.0029851 k( 17) = ( 0.0000000 0.2051282 -0.0000000), wk = 0.0029851 k( 18) = ( 0.0000000 0.2179487 0.0000000), wk = 0.0029851 k( 19) = ( 0.0000000 0.2307692 0.0000000), wk = 0.0029851 k( 20) = ( 0.0000000 0.2435897 0.0000000), wk = 0.0029851 k( 21) = ( 0.0000000 0.2564103 -0.0000000), wk = 0.0029851 k( 22) = ( 0.0000000 0.2692308 -0.0000000), wk = 0.0029851 k( 23) = ( 0.0000000 0.2820513 0.0000000), wk = 0.0029851 k( 24) = ( 0.0000000 0.2948718 0.0000000), wk = 0.0029851 k( 25) = ( 0.0000000 0.3076923 -0.0000000), wk = 0.0029851 k( 26) = ( 0.0000000 0.3205128 0.0000000), wk = 0.0029851 k( 27) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0029851 k( 28) = ( 0.0000000 0.3461538 -0.0000000), wk = 0.0029851 k( 29) = ( 0.0000000 0.3589744 0.0000000), wk = 0.0029851 k( 30) = ( 0.0000000 0.3717949 0.0000000), wk = 0.0029851 k( 31) = ( 0.0000000 0.3846154 -0.0000000), wk = 0.0029851 k( 32) = ( 0.0000000 0.3974359 0.0000000), wk = 0.0029851 k( 33) = ( 0.0000000 0.4102564 -0.0000000), wk = 0.0029851 k( 34) = ( 0.0000000 0.4230769 -0.0000000), wk = 0.0029851 k( 35) = ( 0.0000000 0.4358974 0.0000000), wk = 0.0029851 k( 36) = ( 0.0000000 0.4487179 -0.0000000), wk = 0.0029851 k( 37) = ( 0.0000000 0.4615385 0.0000000), wk = 0.0029851 k( 38) = ( 0.0000000 0.4743590 -0.0000000), wk = 0.0029851 k( 39) = ( 0.0000000 0.4871795 -0.0000000), wk = 0.0029851 k( 40) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029851 k( 41) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029851 k( 42) = ( 0.0128205 0.5000000 -0.0000000), wk = 0.0029851 k( 43) = ( 0.0256410 0.5000000 0.0000000), wk = 0.0029851 k( 44) = ( 0.0384615 0.5000000 -0.0000000), wk = 0.0029851 k( 45) = ( 0.0512821 0.5000000 -0.0000000), wk = 0.0029851 k( 46) = ( 0.0641026 0.5000000 0.0000000), wk = 0.0029851 k( 47) = ( 0.0769231 0.5000000 0.0000000), wk = 0.0029851 k( 48) = ( 0.0897436 0.5000000 0.0000000), wk = 0.0029851 k( 49) = ( 0.1025641 0.5000000 -0.0000000), wk = 0.0029851 k( 50) = ( 0.1153846 0.5000000 -0.0000000), wk = 0.0029851 k( 51) = ( 0.1282051 0.5000000 -0.0000000), wk = 0.0029851 k( 52) = ( 0.1410256 0.5000000 0.0000000), wk = 0.0029851 k( 53) = ( 0.1538461 0.5000000 0.0000000), wk = 0.0029851 k( 54) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0029851 k( 55) = ( 0.1794872 0.5000000 0.0000000), wk = 0.0029851 k( 56) = ( 0.1923077 0.5000000 -0.0000000), wk = 0.0029851 k( 57) = ( 0.2051282 0.5000000 0.0000000), wk = 0.0029851 k( 58) = ( 0.2179487 0.5000000 0.0000000), wk = 0.0029851 k( 59) = ( 0.2307692 0.5000000 0.0000000), wk = 0.0029851 k( 60) = ( 0.2435897 0.5000000 0.0000000), wk = 0.0029851 k( 61) = ( 0.2564103 0.5000000 0.0000000), wk = 0.0029851 k( 62) = ( 0.2692308 0.5000000 0.0000000), wk = 0.0029851 k( 63) = ( 0.2820513 0.5000000 -0.0000000), wk = 0.0029851 k( 64) = ( 0.2948718 0.5000000 -0.0000000), wk = 0.0029851 k( 65) = ( 0.3076923 0.5000000 -0.0000000), wk = 0.0029851 k( 66) = ( 0.3205128 0.5000000 -0.0000000), wk = 0.0029851 k( 67) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0029851 k( 68) = ( 0.3461538 0.5000000 -0.0000000), wk = 0.0029851 k( 69) = ( 0.3589744 0.5000000 -0.0000000), wk = 0.0029851 k( 70) = ( 0.3717949 0.5000000 -0.0000000), wk = 0.0029851 k( 71) = ( 0.3846154 0.5000000 0.0000000), wk = 0.0029851 k( 72) = ( 0.3974359 0.5000000 -0.0000000), wk = 0.0029851 k( 73) = ( 0.4102564 0.5000000 -0.0000000), wk = 0.0029851 k( 74) = ( 0.4230769 0.5000000 -0.0000000), wk = 0.0029851 k( 75) = ( 0.4358974 0.5000000 -0.0000000), wk = 0.0029851 k( 76) = ( 0.4487179 0.5000000 0.0000000), wk = 0.0029851 k( 77) = ( 0.4615385 0.5000000 0.0000000), wk = 0.0029851 k( 78) = ( 0.4743590 0.5000000 0.0000000), wk = 0.0029851 k( 79) = ( 0.4871795 0.5000000 -0.0000000), wk = 0.0029851 k( 80) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029851 k( 81) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029851 k( 82) = ( 0.4909091 0.4909091 -0.0000000), wk = 0.0029851 k( 83) = ( 0.4818182 0.4818182 -0.0000000), wk = 0.0029851 k( 84) = ( 0.4727273 0.4727273 -0.0000000), wk = 0.0029851 k( 85) = ( 0.4636364 0.4636364 -0.0000000), wk = 0.0029851 k( 86) = ( 0.4545455 0.4545455 -0.0000000), wk = 0.0029851 k( 87) = ( 0.4454546 0.4454546 -0.0000000), wk = 0.0029851 k( 88) = ( 0.4363636 0.4363636 -0.0000000), wk = 0.0029851 k( 89) = ( 0.4272727 0.4272727 -0.0000000), wk = 0.0029851 k( 90) = ( 0.4181818 0.4181818 -0.0000000), wk = 0.0029851 k( 91) = ( 0.4090909 0.4090909 -0.0000000), wk = 0.0029851 k( 92) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0029851 k( 93) = ( 0.3909091 0.3909091 -0.0000000), wk = 0.0029851 k( 94) = ( 0.3818182 0.3818182 -0.0000000), wk = 0.0029851 k( 95) = ( 0.3727273 0.3727273 -0.0000000), wk = 0.0029851 k( 96) = ( 0.3636364 0.3636364 -0.0000000), wk = 0.0029851 k( 97) = ( 0.3545454 0.3545454 -0.0000000), wk = 0.0029851 k( 98) = ( 0.3454546 0.3454546 -0.0000000), wk = 0.0029851 k( 99) = ( 0.3363636 0.3363636 -0.0000000), wk = 0.0029851 k( 100) = ( 0.3272727 0.3272727 -0.0000000), wk = 0.0029851 k( 101) = ( 0.3181818 0.3181818 -0.0000000), wk = 0.0029851 k( 102) = ( 0.3090909 0.3090909 -0.0000000), wk = 0.0029851 k( 103) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0029851 k( 104) = ( 0.2909091 0.2909091 -0.0000000), wk = 0.0029851 k( 105) = ( 0.2818182 0.2818182 -0.0000000), wk = 0.0029851 k( 106) = ( 0.2727273 0.2727273 0.0000000), wk = 0.0029851 k( 107) = ( 0.2636364 0.2636364 0.0000000), wk = 0.0029851 k( 108) = ( 0.2545455 0.2545455 0.0000000), wk = 0.0029851 k( 109) = ( 0.2454545 0.2454545 -0.0000000), wk = 0.0029851 k( 110) = ( 0.2363636 0.2363636 -0.0000000), wk = 0.0029851 k( 111) = ( 0.2272727 0.2272727 -0.0000000), wk = 0.0029851 k( 112) = ( 0.2181818 0.2181818 -0.0000000), wk = 0.0029851 k( 113) = ( 0.2090909 0.2090909 -0.0000000), wk = 0.0029851 k( 114) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0029851 k( 115) = ( 0.1909091 0.1909091 -0.0000000), wk = 0.0029851 k( 116) = ( 0.1818182 0.1818182 -0.0000000), wk = 0.0029851 k( 117) = ( 0.1727273 0.1727273 -0.0000000), wk = 0.0029851 k( 118) = ( 0.1636364 0.1636364 -0.0000000), wk = 0.0029851 k( 119) = ( 0.1545455 0.1545455 0.0000000), wk = 0.0029851 k( 120) = ( 0.1454545 0.1454545 -0.0000000), wk = 0.0029851 k( 121) = ( 0.1363636 0.1363636 0.0000000), wk = 0.0029851 k( 122) = ( 0.1272727 0.1272727 -0.0000000), wk = 0.0029851 k( 123) = ( 0.1181818 0.1181818 -0.0000000), wk = 0.0029851 k( 124) = ( 0.1090909 0.1090909 -0.0000000), wk = 0.0029851 k( 125) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0029851 k( 126) = ( 0.0909091 0.0909091 -0.0000000), wk = 0.0029851 k( 127) = ( 0.0818182 0.0818182 -0.0000000), wk = 0.0029851 k( 128) = ( 0.0727273 0.0727273 -0.0000000), wk = 0.0029851 k( 129) = ( 0.0636364 0.0636364 0.0000000), wk = 0.0029851 k( 130) = ( 0.0545455 0.0545455 -0.0000000), wk = 0.0029851 k( 131) = ( 0.0454546 0.0454546 0.0000000), wk = 0.0029851 k( 132) = ( 0.0363636 0.0363636 -0.0000000), wk = 0.0029851 k( 133) = ( 0.0272727 0.0272727 -0.0000000), wk = 0.0029851 k( 134) = ( 0.0181818 0.0181818 -0.0000000), wk = 0.0029851 k( 135) = ( 0.0090909 0.0090909 -0.0000000), wk = 0.0029851 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029851 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029851 k( 138) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0029851 k( 139) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0029851 k( 140) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0029851 k( 141) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0029851 k( 142) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0029851 k( 143) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0029851 k( 144) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0029851 k( 145) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0029851 k( 146) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0029851 k( 147) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0029851 k( 148) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0029851 k( 149) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0029851 k( 150) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0029851 k( 151) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0029851 k( 152) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0029851 k( 153) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0029851 k( 154) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0029851 k( 155) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0029851 k( 156) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0029851 k( 157) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029851 k( 158) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029851 k( 159) = ( 0.0000000 0.0128205 0.5000000), wk = 0.0029851 k( 160) = ( 0.0000000 0.0256410 0.5000000), wk = 0.0029851 k( 161) = ( 0.0000000 0.0384615 0.5000000), wk = 0.0029851 k( 162) = ( 0.0000000 0.0512821 0.5000000), wk = 0.0029851 k( 163) = ( 0.0000000 0.0641026 0.5000000), wk = 0.0029851 k( 164) = ( 0.0000000 0.0769231 0.5000000), wk = 0.0029851 k( 165) = ( 0.0000000 0.0897436 0.5000000), wk = 0.0029851 k( 166) = ( 0.0000000 0.1025641 0.5000000), wk = 0.0029851 k( 167) = ( 0.0000000 0.1153846 0.5000000), wk = 0.0029851 k( 168) = ( 0.0000000 0.1282051 0.5000000), wk = 0.0029851 k( 169) = ( 0.0000000 0.1410256 0.5000000), wk = 0.0029851 k( 170) = ( 0.0000000 0.1538461 0.5000000), wk = 0.0029851 k( 171) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0029851 k( 172) = ( 0.0000000 0.1794872 0.5000000), wk = 0.0029851 k( 173) = ( 0.0000000 0.1923077 0.5000000), wk = 0.0029851 k( 174) = ( 0.0000000 0.2051282 0.5000000), wk = 0.0029851 k( 175) = ( 0.0000000 0.2179487 0.5000000), wk = 0.0029851 k( 176) = ( 0.0000000 0.2307692 0.5000000), wk = 0.0029851 k( 177) = ( 0.0000000 0.2435897 0.5000000), wk = 0.0029851 k( 178) = ( 0.0000000 0.2564103 0.5000000), wk = 0.0029851 k( 179) = ( 0.0000000 0.2692308 0.5000000), wk = 0.0029851 k( 180) = ( 0.0000000 0.2820513 0.5000000), wk = 0.0029851 k( 181) = ( 0.0000000 0.2948718 0.5000000), wk = 0.0029851 k( 182) = ( 0.0000000 0.3076923 0.5000000), wk = 0.0029851 k( 183) = ( 0.0000000 0.3205128 0.5000000), wk = 0.0029851 k( 184) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0029851 k( 185) = ( 0.0000000 0.3461538 0.5000000), wk = 0.0029851 k( 186) = ( 0.0000000 0.3589744 0.5000000), wk = 0.0029851 k( 187) = ( 0.0000000 0.3717949 0.5000000), wk = 0.0029851 k( 188) = ( 0.0000000 0.3846154 0.5000000), wk = 0.0029851 k( 189) = ( 0.0000000 0.3974359 0.5000000), wk = 0.0029851 k( 190) = ( 0.0000000 0.4102564 0.5000000), wk = 0.0029851 k( 191) = ( 0.0000000 0.4230769 0.5000000), wk = 0.0029851 k( 192) = ( 0.0000000 0.4358974 0.5000000), wk = 0.0029851 k( 193) = ( 0.0000000 0.4487179 0.5000000), wk = 0.0029851 k( 194) = ( 0.0000000 0.4615385 0.5000000), wk = 0.0029851 k( 195) = ( 0.0000000 0.4743590 0.5000000), wk = 0.0029851 k( 196) = ( 0.0000000 0.4871795 0.5000000), wk = 0.0029851 k( 197) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0029851 k( 198) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0029851 k( 199) = ( 0.0128205 0.5000000 0.5000000), wk = 0.0029851 k( 200) = ( 0.0256410 0.5000000 0.5000000), wk = 0.0029851 k( 201) = ( 0.0384615 0.5000000 0.5000000), wk = 0.0029851 k( 202) = ( 0.0512821 0.5000000 0.5000000), wk = 0.0029851 k( 203) = ( 0.0641026 0.5000000 0.5000000), wk = 0.0029851 k( 204) = ( 0.0769231 0.5000000 0.5000000), wk = 0.0029851 k( 205) = ( 0.0897436 0.5000000 0.5000000), wk = 0.0029851 k( 206) = ( 0.1025641 0.5000000 0.5000000), wk = 0.0029851 k( 207) = ( 0.1153846 0.5000000 0.5000000), wk = 0.0029851 k( 208) = ( 0.1282051 0.5000000 0.5000000), wk = 0.0029851 k( 209) = ( 0.1410256 0.5000000 0.5000000), wk = 0.0029851 k( 210) = ( 0.1538461 0.5000000 0.5000000), wk = 0.0029851 k( 211) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0029851 k( 212) = ( 0.1794872 0.5000000 0.5000000), wk = 0.0029851 k( 213) = ( 0.1923077 0.5000000 0.5000000), wk = 0.0029851 k( 214) = ( 0.2051282 0.5000000 0.5000000), wk = 0.0029851 k( 215) = ( 0.2179487 0.5000000 0.5000000), wk = 0.0029851 k( 216) = ( 0.2307692 0.5000000 0.5000000), wk = 0.0029851 k( 217) = ( 0.2435897 0.5000000 0.5000000), wk = 0.0029851 k( 218) = ( 0.2564103 0.5000000 0.5000000), wk = 0.0029851 k( 219) = ( 0.2692308 0.5000000 0.5000000), wk = 0.0029851 k( 220) = ( 0.2820513 0.5000000 0.5000000), wk = 0.0029851 k( 221) = ( 0.2948718 0.5000000 0.5000000), wk = 0.0029851 k( 222) = ( 0.3076923 0.5000000 0.5000000), wk = 0.0029851 k( 223) = ( 0.3205128 0.5000000 0.5000000), wk = 0.0029851 k( 224) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0029851 k( 225) = ( 0.3461538 0.5000000 0.5000000), wk = 0.0029851 k( 226) = ( 0.3589744 0.5000000 0.5000000), wk = 0.0029851 k( 227) = ( 0.3717949 0.5000000 0.5000000), wk = 0.0029851 k( 228) = ( 0.3846154 0.5000000 0.5000000), wk = 0.0029851 k( 229) = ( 0.3974359 0.5000000 0.5000000), wk = 0.0029851 k( 230) = ( 0.4102564 0.5000000 0.5000000), wk = 0.0029851 k( 231) = ( 0.4230769 0.5000000 0.5000000), wk = 0.0029851 k( 232) = ( 0.4358974 0.5000000 0.5000000), wk = 0.0029851 k( 233) = ( 0.4487179 0.5000000 0.5000000), wk = 0.0029851 k( 234) = ( 0.4615385 0.5000000 0.5000000), wk = 0.0029851 k( 235) = ( 0.4743590 0.5000000 0.5000000), wk = 0.0029851 k( 236) = ( 0.4871795 0.5000000 0.5000000), wk = 0.0029851 k( 237) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029851 k( 238) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029851 k( 239) = ( 0.4909091 0.4909091 0.5000000), wk = 0.0029851 k( 240) = ( 0.4818182 0.4818182 0.5000000), wk = 0.0029851 k( 241) = ( 0.4727273 0.4727273 0.5000000), wk = 0.0029851 k( 242) = ( 0.4636364 0.4636364 0.5000000), wk = 0.0029851 k( 243) = ( 0.4545455 0.4545455 0.5000000), wk = 0.0029851 k( 244) = ( 0.4454546 0.4454546 0.5000000), wk = 0.0029851 k( 245) = ( 0.4363636 0.4363636 0.5000000), wk = 0.0029851 k( 246) = ( 0.4272727 0.4272727 0.5000000), wk = 0.0029851 k( 247) = ( 0.4181818 0.4181818 0.5000000), wk = 0.0029851 k( 248) = ( 0.4090909 0.4090909 0.5000000), wk = 0.0029851 k( 249) = ( 0.4000000 0.4000000 0.5000000), wk = 0.0029851 k( 250) = ( 0.3909091 0.3909091 0.5000000), wk = 0.0029851 k( 251) = ( 0.3818182 0.3818182 0.5000000), wk = 0.0029851 k( 252) = ( 0.3727273 0.3727273 0.5000000), wk = 0.0029851 k( 253) = ( 0.3636364 0.3636364 0.5000000), wk = 0.0029851 k( 254) = ( 0.3545454 0.3545454 0.5000000), wk = 0.0029851 k( 255) = ( 0.3454546 0.3454546 0.5000000), wk = 0.0029851 k( 256) = ( 0.3363636 0.3363636 0.5000000), wk = 0.0029851 k( 257) = ( 0.3272727 0.3272727 0.5000000), wk = 0.0029851 k( 258) = ( 0.3181818 0.3181818 0.5000000), wk = 0.0029851 k( 259) = ( 0.3090909 0.3090909 0.5000000), wk = 0.0029851 k( 260) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0029851 k( 261) = ( 0.2909091 0.2909091 0.5000000), wk = 0.0029851 k( 262) = ( 0.2818182 0.2818182 0.5000000), wk = 0.0029851 k( 263) = ( 0.2727273 0.2727273 0.5000000), wk = 0.0029851 k( 264) = ( 0.2636364 0.2636364 0.5000000), wk = 0.0029851 k( 265) = ( 0.2545455 0.2545455 0.5000000), wk = 0.0029851 k( 266) = ( 0.2454545 0.2454545 0.5000000), wk = 0.0029851 k( 267) = ( 0.2363636 0.2363636 0.5000000), wk = 0.0029851 k( 268) = ( 0.2272727 0.2272727 0.5000000), wk = 0.0029851 k( 269) = ( 0.2181818 0.2181818 0.5000000), wk = 0.0029851 k( 270) = ( 0.2090909 0.2090909 0.5000000), wk = 0.0029851 k( 271) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0029851 k( 272) = ( 0.1909091 0.1909091 0.5000000), wk = 0.0029851 k( 273) = ( 0.1818182 0.1818182 0.5000000), wk = 0.0029851 k( 274) = ( 0.1727273 0.1727273 0.5000000), wk = 0.0029851 k( 275) = ( 0.1636364 0.1636364 0.5000000), wk = 0.0029851 k( 276) = ( 0.1545455 0.1545455 0.5000000), wk = 0.0029851 k( 277) = ( 0.1454545 0.1454545 0.5000000), wk = 0.0029851 k( 278) = ( 0.1363636 0.1363636 0.5000000), wk = 0.0029851 k( 279) = ( 0.1272727 0.1272727 0.5000000), wk = 0.0029851 k( 280) = ( 0.1181818 0.1181818 0.5000000), wk = 0.0029851 k( 281) = ( 0.1090909 0.1090909 0.5000000), wk = 0.0029851 k( 282) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0029851 k( 283) = ( 0.0909091 0.0909091 0.5000000), wk = 0.0029851 k( 284) = ( 0.0818182 0.0818182 0.5000000), wk = 0.0029851 k( 285) = ( 0.0727273 0.0727273 0.5000000), wk = 0.0029851 k( 286) = ( 0.0636364 0.0636364 0.5000000), wk = 0.0029851 k( 287) = ( 0.0545455 0.0545455 0.5000000), wk = 0.0029851 k( 288) = ( 0.0454546 0.0454546 0.5000000), wk = 0.0029851 k( 289) = ( 0.0363636 0.0363636 0.5000000), wk = 0.0029851 k( 290) = ( 0.0272727 0.0272727 0.5000000), wk = 0.0029851 k( 291) = ( 0.0181818 0.0181818 0.5000000), wk = 0.0029851 k( 292) = ( 0.0090909 0.0090909 0.5000000), wk = 0.0029851 k( 293) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029851 k( 294) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029851 k( 295) = ( 0.0000000 0.5000000 0.0250000), wk = 0.0029851 k( 296) = ( 0.0000000 0.5000000 0.0500000), wk = 0.0029851 k( 297) = ( 0.0000000 0.5000000 0.0750000), wk = 0.0029851 k( 298) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0029851 k( 299) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0029851 k( 300) = ( 0.0000000 0.5000000 0.1500000), wk = 0.0029851 k( 301) = ( 0.0000000 0.5000000 0.1750000), wk = 0.0029851 k( 302) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0029851 k( 303) = ( 0.0000000 0.5000000 0.2250000), wk = 0.0029851 k( 304) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0029851 k( 305) = ( 0.0000000 0.5000000 0.2750000), wk = 0.0029851 k( 306) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0029851 k( 307) = ( 0.0000000 0.5000000 0.3250000), wk = 0.0029851 k( 308) = ( 0.0000000 0.5000000 0.3500000), wk = 0.0029851 k( 309) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0029851 k( 310) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0029851 k( 311) = ( 0.0000000 0.5000000 0.4250000), wk = 0.0029851 k( 312) = ( 0.0000000 0.5000000 0.4500000), wk = 0.0029851 k( 313) = ( 0.0000000 0.5000000 0.4750000), wk = 0.0029851 k( 314) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0029851 k( 315) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029851 k( 316) = ( 0.5000000 0.5000000 0.0250000), wk = 0.0029851 k( 317) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0029851 k( 318) = ( 0.5000000 0.5000000 0.0750000), wk = 0.0029851 k( 319) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0029851 k( 320) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0029851 k( 321) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0029851 k( 322) = ( 0.5000000 0.5000000 0.1750000), wk = 0.0029851 k( 323) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0029851 k( 324) = ( 0.5000000 0.5000000 0.2250000), wk = 0.0029851 k( 325) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0029851 k( 326) = ( 0.5000000 0.5000000 0.2750000), wk = 0.0029851 k( 327) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0029851 k( 328) = ( 0.5000000 0.5000000 0.3250000), wk = 0.0029851 k( 329) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0029851 k( 330) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0029851 k( 331) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0029851 k( 332) = ( 0.5000000 0.5000000 0.4250000), wk = 0.0029851 k( 333) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0029851 k( 334) = ( 0.5000000 0.5000000 0.4750000), wk = 0.0029851 k( 335) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029851 Dense grid: 87631 G-vectors FFT dimensions: ( 45, 45, 90) Smooth grid: 38653 G-vectors FFT dimensions: ( 36, 36, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.30 Mb ( 286, 68) NL pseudopotentials 0.28 Mb ( 143, 128) Each V/rho on FFT grid 0.09 Mb ( 6075) Each G-vector array 0.02 Mb ( 2436) G-vector shells 0.01 Mb ( 1083) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.19 Mb ( 286, 272) Each subspace H/S matrix 0.07 Mb ( 68, 68) Each matrix 0.27 Mb ( 128, 2, 68) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./H2O2.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.8 secs Computing kpt #: 2 total cpu time spent up to now is 2.9 secs Computing kpt #: 3 total cpu time spent up to now is 3.8 secs Computing kpt #: 4 total cpu time spent up to now is 4.8 secs Computing kpt #: 5 total cpu time spent up to now is 5.8 secs Computing kpt #: 6 total cpu time spent up to now is 6.7 secs Computing kpt #: 7 total cpu time spent up to now is 7.6 secs Computing kpt #: 8 total cpu time spent up to now is 8.5 secs Computing kpt #: 9 total cpu time spent up to now is 9.4 secs Computing kpt #: 10 total cpu time spent up to now is 10.3 secs Computing kpt #: 11 total cpu time spent up to now is 11.2 secs Computing kpt #: 12 total cpu time spent up to now is 12.2 secs Computing kpt #: 13 total cpu time spent up to now is 13.1 secs Computing kpt #: 14 total cpu time spent up to now is 14.0 secs Computing kpt #: 15 total cpu time spent up to now is 14.9 secs Computing kpt #: 16 total cpu time spent up to now is 15.8 secs Computing kpt #: 17 total cpu time spent up to now is 16.7 secs Computing kpt #: 18 total cpu time spent up to now is 17.6 secs Computing kpt #: 19 total cpu time spent up to now is 18.6 secs Computing kpt #: 20 total cpu time spent up to now is 19.4 secs Computing kpt #: 21 total cpu time spent up to now is 20.3 secs Computing kpt #: 22 total cpu time spent up to now is 21.1 secs Computing kpt #: 23 total cpu time spent up to now is 21.9 secs Computing kpt #: 24 total cpu time spent up to now is 22.7 secs Computing kpt #: 25 total cpu time spent up to now is 23.5 secs Computing kpt #: 26 total cpu time spent up to now is 24.3 secs Computing kpt #: 27 total cpu time spent up to now is 25.1 secs Computing kpt #: 28 total cpu time spent up to now is 25.9 secs Computing kpt #: 29 total cpu time spent up to now is 26.7 secs Computing kpt #: 30 total cpu time spent up to now is 27.4 secs Computing kpt #: 31 total cpu time spent up to now is 28.2 secs Computing kpt #: 32 total cpu time spent up to now is 29.0 secs Computing kpt #: 33 total cpu time spent up to now is 29.8 secs Computing kpt #: 34 total cpu time spent up to now is 30.6 secs Computing kpt #: 35 total cpu time spent up to now is 31.4 secs Computing kpt #: 36 total cpu time spent up to now is 32.2 secs Computing kpt #: 37 total cpu time spent up to now is 33.0 secs Computing kpt #: 38 total cpu time spent up to now is 33.7 secs Computing kpt #: 39 total cpu time spent up to now is 34.5 secs Computing kpt #: 40 total cpu time spent up to now is 35.2 secs Computing kpt #: 41 total cpu time spent up to now is 36.0 secs Computing kpt #: 42 total cpu time spent up to now is 36.8 secs Computing kpt #: 43 total cpu time spent up to now is 37.6 secs Computing kpt #: 44 total cpu time spent up to now is 38.3 secs Computing kpt #: 45 total cpu time spent up to now is 39.1 secs Computing kpt #: 46 total cpu time spent up to now is 39.8 secs Computing kpt #: 47 total cpu time spent up to now is 40.6 secs Computing kpt #: 48 total cpu time spent up to now is 41.4 secs Computing kpt #: 49 total cpu time spent up to now is 42.2 secs Computing kpt #: 50 total cpu time spent up to now is 42.9 secs Computing kpt #: 51 total cpu time spent up to now is 43.7 secs Computing kpt #: 52 total cpu time spent up to now is 44.4 secs Computing kpt #: 53 total cpu time spent up to now is 45.2 secs Computing kpt #: 54 total cpu time spent up to now is 46.0 secs Computing kpt #: 55 total cpu time spent up to now is 46.8 secs Computing kpt #: 56 total cpu time spent up to now is 47.6 secs Computing kpt #: 57 total cpu time spent up to now is 48.4 secs Computing kpt #: 58 total cpu time spent up to now is 49.2 secs Computing kpt #: 59 total cpu time spent up to now is 50.1 secs Computing kpt #: 60 total cpu time spent up to now is 50.9 secs Computing kpt #: 61 total cpu time spent up to now is 51.6 secs Computing kpt #: 62 total cpu time spent up to now is 52.5 secs Computing kpt #: 63 total cpu time spent up to now is 53.3 secs Computing kpt #: 64 total cpu time spent up to now is 54.1 secs Computing kpt #: 65 total cpu time spent up to now is 54.9 secs Computing kpt #: 66 total cpu time spent up to now is 55.7 secs Computing kpt #: 67 total cpu time spent up to now is 56.7 secs Computing kpt #: 68 total cpu time spent up to now is 57.7 secs Computing kpt #: 69 total cpu time spent up to now is 58.6 secs Computing kpt #: 70 total cpu time spent up to now is 59.4 secs Computing kpt #: 71 total cpu time spent up to now is 60.3 secs Computing kpt #: 72 total cpu time spent up to now is 61.2 secs Computing kpt #: 73 total cpu time spent up to now is 62.0 secs Computing kpt #: 74 total cpu time spent up to now is 62.9 secs Computing kpt #: 75 total cpu time spent up to now is 63.8 secs Computing kpt #: 76 total cpu time spent up to now is 64.8 secs Computing kpt #: 77 total cpu time spent up to now is 65.6 secs Computing kpt #: 78 total cpu time spent up to now is 66.6 secs Computing kpt #: 79 total cpu time spent up to now is 67.6 secs Computing kpt #: 80 total cpu time spent up to now is 68.6 secs Computing kpt #: 81 total cpu time spent up to now is 69.6 secs Computing kpt #: 82 total cpu time spent up to now is 70.5 secs Computing kpt #: 83 total cpu time spent up to now is 71.5 secs Computing kpt #: 84 total cpu time spent up to now is 72.4 secs Computing kpt #: 85 total cpu time spent up to now is 73.4 secs Computing kpt #: 86 total cpu time spent up to now is 74.3 secs Computing kpt #: 87 total cpu time spent up to now is 75.2 secs Computing kpt #: 88 total cpu time spent up to now is 76.2 secs Computing kpt #: 89 total cpu time spent up to now is 77.2 secs Computing kpt #: 90 total cpu time spent up to now is 78.1 secs Computing kpt #: 91 total cpu time spent up to now is 79.0 secs Computing kpt #: 92 total cpu time spent up to now is 80.0 secs Computing kpt #: 93 total cpu time spent up to now is 80.9 secs Computing kpt #: 94 total cpu time spent up to now is 81.9 secs Computing kpt #: 95 total cpu time spent up to now is 82.9 secs Computing kpt #: 96 total cpu time spent up to now is 83.9 secs Computing kpt #: 97 total cpu time spent up to now is 84.9 secs Computing kpt #: 98 total cpu time spent up to now is 85.9 secs Computing kpt #: 99 total cpu time spent up to now is 86.9 secs Computing kpt #: 100 total cpu time spent up to now is 87.9 secs Computing kpt #: 101 total cpu time spent up to now is 88.9 secs Computing kpt #: 102 total cpu time spent up to now is 89.9 secs Computing kpt #: 103 total cpu time spent up to now is 90.9 secs Computing kpt #: 104 total cpu time spent up to now is 91.9 secs Computing kpt #: 105 total cpu time spent up to now is 92.9 secs Computing kpt #: 106 total cpu time spent up to now is 93.9 secs Computing kpt #: 107 total cpu time spent up to now is 94.9 secs Computing kpt #: 108 total cpu time spent up to now is 95.9 secs Computing kpt #: 109 total cpu time spent up to now is 96.9 secs Computing kpt #: 110 total cpu time spent up to now is 97.9 secs Computing kpt #: 111 total cpu time spent up to now is 98.9 secs Computing kpt #: 112 total cpu time spent up to now is 99.9 secs Computing kpt #: 113 total cpu time spent up to now is 100.9 secs Computing kpt #: 114 total cpu time spent up to now is 101.9 secs Computing kpt #: 115 total cpu time spent up to now is 102.9 secs Computing kpt #: 116 total cpu time spent up to now is 103.9 secs Computing kpt #: 117 total cpu time spent up to now is 104.8 secs Computing kpt #: 118 total cpu time spent up to now is 105.8 secs Computing kpt #: 119 total cpu time spent up to now is 106.7 secs Computing kpt #: 120 total cpu time spent up to now is 107.6 secs Computing kpt #: 121 total cpu time spent up to now is 108.6 secs Computing kpt #: 122 total cpu time spent up to now is 109.6 secs Computing kpt #: 123 total cpu time spent up to now is 110.4 secs Computing kpt #: 124 total cpu time spent up to now is 111.4 secs Computing kpt #: 125 total cpu time spent up to now is 112.4 secs Computing kpt #: 126 total cpu time spent up to now is 113.3 secs Computing kpt #: 127 total cpu time spent up to now is 114.2 secs Computing kpt #: 128 total cpu time spent up to now is 115.1 secs Computing kpt #: 129 total cpu time spent up to now is 116.1 secs Computing kpt #: 130 total cpu time spent up to now is 117.0 secs Computing kpt #: 131 total cpu time spent up to now is 117.9 secs Computing kpt #: 132 total cpu time spent up to now is 118.9 secs Computing kpt #: 133 total cpu time spent up to now is 119.8 secs Computing kpt #: 134 total cpu time spent up to now is 120.8 secs Computing kpt #: 135 total cpu time spent up to now is 121.7 secs Computing kpt #: 136 total cpu time spent up to now is 122.7 secs Computing kpt #: 137 total cpu time spent up to now is 123.6 secs Computing kpt #: 138 total cpu time spent up to now is 124.5 secs Computing kpt #: 139 total cpu time spent up to now is 125.3 secs Computing kpt #: 140 total cpu time spent up to now is 126.0 secs Computing kpt #: 141 total cpu time spent up to now is 126.8 secs Computing kpt #: 142 total cpu time spent up to now is 127.6 secs Computing kpt #: 143 total cpu time spent up to now is 128.3 secs Computing kpt #: 144 total cpu time spent up to now is 129.0 secs Computing kpt #: 145 total cpu time spent up to now is 129.7 secs Computing kpt #: 146 total cpu time spent up to now is 130.4 secs Computing kpt #: 147 total cpu time spent up to now is 131.1 secs Computing kpt #: 148 total cpu time spent up to now is 131.8 secs Computing kpt #: 149 total cpu time spent up to now is 132.4 secs Computing kpt #: 150 total cpu time spent up to now is 133.1 secs Computing kpt #: 151 total cpu time spent up to now is 133.8 secs Computing kpt #: 152 total cpu time spent up to now is 134.4 secs Computing kpt #: 153 total cpu time spent up to now is 135.1 secs Computing kpt #: 154 total cpu time spent up to now is 135.8 secs Computing kpt #: 155 total cpu time spent up to now is 136.5 secs Computing kpt #: 156 total cpu time spent up to now is 137.1 secs Computing kpt #: 157 total cpu time spent up to now is 137.8 secs Computing kpt #: 158 total cpu time spent up to now is 138.5 secs Computing kpt #: 159 total cpu time spent up to now is 139.2 secs Computing kpt #: 160 total cpu time spent up to now is 139.8 secs Computing kpt #: 161 total cpu time spent up to now is 140.5 secs Computing kpt #: 162 total cpu time spent up to now is 141.1 secs Computing kpt #: 163 total cpu time spent up to now is 141.8 secs Computing kpt #: 164 total cpu time spent up to now is 142.5 secs Computing kpt #: 165 total cpu time spent up to now is 143.2 secs Computing kpt #: 166 total cpu time spent up to now is 143.8 secs Computing kpt #: 167 total cpu time spent up to now is 144.5 secs Computing kpt #: 168 total cpu time spent up to now is 145.2 secs Computing kpt #: 169 total cpu time spent up to now is 145.9 secs Computing kpt #: 170 total cpu time spent up to now is 146.6 secs Computing kpt #: 171 total cpu time spent up to now is 147.2 secs Computing kpt #: 172 total cpu time spent up to now is 147.9 secs Computing kpt #: 173 total cpu time spent up to now is 148.6 secs Computing kpt #: 174 total cpu time spent up to now is 149.3 secs Computing kpt #: 175 total cpu time spent up to now is 150.0 secs Computing kpt #: 176 total cpu time spent up to now is 150.6 secs Computing kpt #: 177 total cpu time spent up to now is 151.3 secs Computing kpt #: 178 total cpu time spent up to now is 152.0 secs Computing kpt #: 179 total cpu time spent up to now is 152.8 secs Computing kpt #: 180 total cpu time spent up to now is 153.4 secs Computing kpt #: 181 total cpu time spent up to now is 154.2 secs Computing kpt #: 182 total cpu time spent up to now is 154.9 secs Computing kpt #: 183 total cpu time spent up to now is 155.6 secs Computing kpt #: 184 total cpu time spent up to now is 156.3 secs Computing kpt #: 185 total cpu time spent up to now is 157.0 secs Computing kpt #: 186 total cpu time spent up to now is 157.8 secs Computing kpt #: 187 total cpu time spent up to now is 158.6 secs Computing kpt #: 188 total cpu time spent up to now is 159.4 secs Computing kpt #: 189 total cpu time spent up to now is 160.2 secs Computing kpt #: 190 total cpu time spent up to now is 161.1 secs Computing kpt #: 191 total cpu time spent up to now is 161.9 secs Computing kpt #: 192 total cpu time spent up to now is 162.7 secs Computing kpt #: 193 total cpu time spent up to now is 163.5 secs Computing kpt #: 194 total cpu time spent up to now is 164.3 secs Computing kpt #: 195 total cpu time spent up to now is 165.1 secs Computing kpt #: 196 total cpu time spent up to now is 165.9 secs Computing kpt #: 197 total cpu time spent up to now is 166.7 secs Computing kpt #: 198 total cpu time spent up to now is 167.5 secs Computing kpt #: 199 total cpu time spent up to now is 168.3 secs Computing kpt #: 200 total cpu time spent up to now is 169.0 secs Computing kpt #: 201 total cpu time spent up to now is 169.8 secs Computing kpt #: 202 total cpu time spent up to now is 170.5 secs Computing kpt #: 203 total cpu time spent up to now is 171.3 secs Computing kpt #: 204 total cpu time spent up to now is 172.1 secs Computing kpt #: 205 total cpu time spent up to now is 172.9 secs Computing kpt #: 206 total cpu time spent up to now is 173.7 secs Computing kpt #: 207 total cpu time spent up to now is 174.5 secs Computing kpt #: 208 total cpu time spent up to now is 175.3 secs Computing kpt #: 209 total cpu time spent up to now is 176.1 secs Computing kpt #: 210 total cpu time spent up to now is 176.9 secs Computing kpt #: 211 total cpu time spent up to now is 177.7 secs Computing kpt #: 212 total cpu time spent up to now is 178.5 secs Computing kpt #: 213 total cpu 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up to now is 191.7 secs Computing kpt #: 229 total cpu time spent up to now is 192.7 secs Computing kpt #: 230 total cpu time spent up to now is 193.6 secs Computing kpt #: 231 total cpu time spent up to now is 194.5 secs Computing kpt #: 232 total cpu time spent up to now is 195.5 secs Computing kpt #: 233 total cpu time spent up to now is 196.4 secs Computing kpt #: 234 total cpu time spent up to now is 197.3 secs Computing kpt #: 235 total cpu time spent up to now is 198.3 secs Computing kpt #: 236 total cpu time spent up to now is 199.3 secs Computing kpt #: 237 total cpu time spent up to now is 201.1 secs Computing kpt #: 238 total cpu time spent up to now is 203.4 secs Computing kpt #: 239 total cpu time spent up to now is 204.4 secs Computing kpt #: 240 total cpu time spent up to now is 205.3 secs Computing kpt #: 241 total cpu time spent up to now is 206.3 secs Computing kpt #: 242 total cpu time spent up to now is 207.2 secs Computing kpt #: 243 total cpu time spent up to now is 208.1 secs Computing kpt #: 244 total cpu time spent up to now is 209.0 secs Computing kpt #: 245 total cpu time spent up to now is 209.8 secs Computing kpt #: 246 total cpu time spent up to now is 210.7 secs Computing kpt #: 247 total cpu time spent up to now is 211.6 secs Computing kpt #: 248 total cpu time spent up to now is 212.4 secs Computing kpt #: 249 total cpu time spent up to now is 213.2 secs Computing kpt #: 250 total cpu time spent up to now is 214.0 secs Computing kpt #: 251 total cpu time spent up to now is 214.9 secs Computing kpt #: 252 total cpu time spent up to now is 215.7 secs Computing kpt #: 253 total cpu time spent up to now is 216.5 secs Computing kpt #: 254 total cpu time spent up to now is 217.3 secs Computing kpt #: 255 total cpu time spent up to now is 218.1 secs Computing kpt #: 256 total cpu time spent up to now is 218.9 secs Computing kpt #: 257 total cpu time spent up to now is 219.7 secs Computing kpt #: 258 total cpu time spent up to now is 220.5 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Computing kpt #: 274 total cpu time spent up to now is 232.3 secs Computing kpt #: 275 total cpu time spent up to now is 233.0 secs Computing kpt #: 276 total cpu time spent up to now is 233.7 secs Computing kpt #: 277 total cpu time spent up to now is 234.4 secs Computing kpt #: 278 total cpu time spent up to now is 235.1 secs Computing kpt #: 279 total cpu time spent up to now is 235.8 secs Computing kpt #: 280 total cpu time spent up to now is 236.5 secs Computing kpt #: 281 total cpu time spent up to now is 237.1 secs Computing kpt #: 282 total cpu time spent up to now is 237.8 secs Computing kpt #: 283 total cpu time spent up to now is 238.5 secs Computing kpt #: 284 total cpu time spent up to now is 239.2 secs Computing kpt #: 285 total cpu time spent up to now is 239.8 secs Computing kpt #: 286 total cpu time spent up to now is 240.5 secs Computing kpt #: 287 total cpu time spent up to now is 241.2 secs Computing kpt #: 288 total cpu time spent up to now is 241.8 secs Computing kpt #: 289 total cpu time spent up to now is 242.5 secs Computing kpt #: 290 total cpu time spent up to now is 243.2 secs Computing kpt #: 291 total cpu time spent up to now is 243.8 secs Computing kpt #: 292 total cpu time spent up to now is 244.5 secs Computing kpt #: 293 total cpu time spent up to now is 245.2 secs Computing kpt #: 294 total cpu time spent up to now is 246.0 secs Computing kpt #: 295 total cpu time spent up to now is 246.7 secs Computing kpt #: 296 total cpu time spent up to now is 247.5 secs Computing kpt #: 297 total cpu time spent up to now is 248.3 secs Computing kpt #: 298 total cpu time spent up to now is 249.0 secs Computing kpt #: 299 total cpu time spent up to now is 249.8 secs Computing kpt #: 300 total cpu time spent up to now is 250.6 secs Computing kpt #: 301 total cpu time spent up to now is 251.3 secs Computing kpt #: 302 total cpu time spent up to now is 252.1 secs Computing kpt #: 303 total cpu time spent up to now is 252.9 secs Computing kpt #: 304 total cpu time spent up to now is 253.7 secs Computing kpt #: 305 total cpu time spent up to now is 254.5 secs Computing kpt #: 306 total cpu time spent up to now is 255.3 secs Computing kpt #: 307 total cpu time spent up to now is 256.1 secs Computing kpt #: 308 total cpu time spent up to now is 256.9 secs Computing kpt #: 309 total cpu time spent up to now is 257.7 secs Computing kpt #: 310 total cpu time spent up to now is 258.5 secs Computing kpt #: 311 total cpu time spent up to now is 259.3 secs Computing kpt #: 312 total cpu time spent up to now is 260.1 secs Computing kpt #: 313 total cpu time spent up to now is 260.9 secs Computing kpt #: 314 total cpu time spent up to now is 261.7 secs Computing kpt #: 315 total cpu time spent up to now is 262.7 secs Computing kpt #: 316 total cpu time spent up to now is 263.7 secs Computing kpt #: 317 total cpu time spent up to now is 264.7 secs Computing kpt #: 318 total cpu time spent up to now is 265.7 secs Computing kpt #: 319 total cpu time spent up to now is 266.6 secs Computing kpt #: 320 total cpu time spent up to now is 267.6 secs Computing kpt #: 321 total cpu time spent up to now is 268.6 secs Computing kpt #: 322 total cpu time spent up to now is 269.5 secs Computing kpt #: 323 total cpu time spent up to now is 270.5 secs Computing kpt #: 324 total cpu time spent up to now is 271.5 secs Computing kpt #: 325 total cpu time spent up to now is 272.4 secs Computing kpt #: 326 total cpu time spent up to now is 273.4 secs Computing kpt #: 327 total cpu time spent up to now is 274.3 secs Computing kpt #: 328 total cpu time spent up to now is 275.4 secs Computing kpt #: 329 total cpu time spent up to now is 276.4 secs Computing kpt #: 330 total cpu time spent up to now is 277.4 secs Computing kpt #: 331 total cpu time spent up to now is 278.4 secs Computing kpt #: 332 total cpu time spent up to now is 279.3 secs Computing kpt #: 333 total cpu time spent up to now is 280.3 secs Computing kpt #: 334 total cpu time spent up to now is 281.3 secs Computing kpt #: 335 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 283.7 secs ethr = 1.79E-08, avg # of iterations = 20.1 total cpu time spent up to now is 283.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4837 PWs) bands (ev): -22.0609 -22.0609 -21.7035 -21.7035 -21.7034 -21.7034 -21.3698 -21.3698 -16.1073 -16.1073 -15.8964 -15.8964 -15.8961 -15.8961 -15.5429 -15.5429 -7.3455 -7.3455 -7.3422 -7.3422 -7.3024 -7.3024 -7.0253 -7.0253 -6.4708 -6.4708 -5.2081 -5.2081 -5.2033 -5.2033 -4.1629 -4.1629 -4.0632 -4.0632 -4.0584 -4.0584 -4.0097 -4.0097 -4.0090 -4.0090 -1.5377 -1.5377 -1.3994 -1.3994 -1.2461 -1.2461 -1.2383 -1.2383 -0.3255 -0.3255 -0.3182 -0.3182 -0.2398 -0.2398 -0.1343 -0.1343 5.3193 5.3193 5.3237 5.3237 5.4778 5.4778 5.5728 5.5728 6.2518 6.2518 8.9298 8.9298 k = 0.0000 0.0128-0.0000 ( 4837 PWs) bands (ev): -22.0606 -22.0606 -21.7035 -21.7035 -21.7033 -21.7033 -21.3700 -21.3700 -16.1078 -16.1078 -15.8967 -15.8967 -15.8957 -15.8957 -15.5429 -15.5429 -7.3459 -7.3458 -7.3425 -7.3424 -7.3028 -7.3026 -7.0249 -7.0248 -6.4705 -6.4704 -5.2088 -5.2086 -5.2037 -5.2035 -4.1638 -4.1631 -4.0659 -4.0628 -4.0611 -4.0601 -4.0087 -4.0077 -4.0073 -4.0057 -1.5374 -1.5369 -1.4003 -1.3996 -1.2455 -1.2451 -1.2378 -1.2372 -0.3255 -0.3254 -0.3184 -0.3180 -0.2399 -0.2393 -0.1347 -0.1346 5.3164 5.3166 5.3222 5.3223 5.4780 5.4781 5.5727 5.5730 6.2571 6.2572 8.9303 8.9305 k = 0.0000 0.0256-0.0000 ( 4849 PWs) bands (ev): -22.0598 -22.0598 -21.7034 -21.7034 -21.7031 -21.7031 -21.3706 -21.3706 -16.1093 -16.1093 -15.8981 -15.8981 -15.8940 -15.8940 -15.5427 -15.5426 -7.3475 -7.3472 -7.3427 -7.3424 -7.3041 -7.3037 -7.0238 -7.0235 -6.4693 -6.4692 -5.2117 -5.2111 -5.2037 -5.2034 -4.1658 -4.1644 -4.0712 -4.0675 -4.0646 -4.0646 -4.0049 -4.0024 -4.0012 -3.9990 -1.5359 -1.5349 -1.4023 -1.4010 -1.2435 -1.2429 -1.2356 -1.2343 -0.3259 -0.3258 -0.3182 -0.3176 -0.2395 -0.2384 -0.1356 -0.1355 5.3054 5.3056 5.3204 5.3209 5.4785 5.4787 5.5727 5.5733 6.2727 6.2728 8.9318 8.9320 k = 0.0000 0.0385-0.0000 ( 4847 PWs) bands (ev): -22.0585 -22.0585 -21.7033 -21.7033 -21.7027 -21.7026 -21.3716 -21.3716 -16.1119 -16.1118 -15.9004 -15.9004 -15.8913 -15.8912 -15.5423 -15.5423 -7.3506 -7.3503 -7.3424 -7.3419 -7.3060 -7.3055 -7.0218 -7.0214 -6.4674 -6.4672 -5.2174 -5.2165 -5.2025 -5.2022 -4.1687 -4.1667 -4.0787 -4.0761 -4.0700 -4.0682 -3.9982 -3.9948 -3.9930 -3.9903 -1.5334 -1.5318 -1.4052 -1.4034 -1.2405 -1.2398 -1.2314 -1.2293 -0.3273 -0.3268 -0.3170 -0.3165 -0.2388 -0.2372 -0.1370 -0.1369 5.2871 5.2873 5.3187 5.3195 5.4795 5.4797 5.5727 5.5735 6.2979 6.2980 8.9341 8.9345 k = 0.0000 0.0513-0.0000 ( 4851 PWs) bands (ev): -22.0566 -22.0566 -21.7032 -21.7032 -21.7020 -21.7020 -21.3731 -21.3731 -16.1152 -16.1152 -15.9036 -15.9036 -15.8875 -15.8875 -15.5418 -15.5418 -7.3552 -7.3549 -7.3416 -7.3408 -7.3087 -7.3080 -7.0191 -7.0186 -6.4647 -6.4644 -5.2257 -5.2244 -5.2004 -5.2001 -4.1725 -4.1699 -4.0877 -4.0858 -4.0760 -4.0731 -3.9892 -3.9852 -3.9836 -3.9805 -1.5298 -1.5278 -1.4087 -1.4065 -1.2368 -1.2362 -1.2250 -1.2222 -0.3299 -0.3288 -0.3146 -0.3145 -0.2379 -0.2361 -0.1386 -0.1386 5.2632 5.2635 5.3166 5.3177 5.4808 5.4811 5.5722 5.5734 6.3316 6.3318 8.9373 8.9378 k = 0.0000 0.0641-0.0000 ( 4855 PWs) bands (ev): -22.0542 -22.0542 -21.7030 -21.7030 -21.7012 -21.7012 -21.3749 -21.3749 -16.1194 -16.1193 -15.9077 -15.9077 -15.8829 -15.8829 -15.5412 -15.5412 -7.3610 -7.3606 -7.3404 -7.3395 -7.3121 -7.3112 -7.0158 -7.0152 -6.4612 -6.4608 -5.2363 -5.2347 -5.1976 -5.1973 -4.1770 -4.1740 -4.0975 -4.0961 -4.0826 -4.0793 -3.9783 -3.9741 -3.9735 -3.9700 -1.5253 -1.5228 -1.4124 -1.4099 -1.2327 -1.2321 -1.2167 -1.2133 -0.3333 -0.3319 -0.3115 -0.3113 -0.2372 -0.2352 -0.1404 -0.1402 5.2351 5.2354 5.3140 5.3153 5.4824 5.4829 5.5713 5.5728 6.3727 6.3729 8.9414 8.9421 k = 0.0000 0.0769-0.0000 ( 4847 PWs) bands (ev): -22.0512 -22.0512 -21.7028 -21.7028 -21.7002 -21.7002 -21.3772 -21.3772 -16.1242 -16.1241 -15.9126 -15.9126 -15.8775 -15.8775 -15.5405 -15.5405 -7.3679 -7.3674 -7.3388 -7.3378 -7.3161 -7.3150 -7.0120 -7.0113 -6.4569 -6.4565 -5.2490 -5.2470 -5.1942 -5.1938 -4.1822 -4.1788 -4.1078 -4.1068 -4.0900 -4.0864 -3.9663 -3.9626 -3.9620 -3.9586 -1.5201 -1.5170 -1.4160 -1.4133 -1.2280 -1.2273 -1.2067 -1.2029 -0.3376 -0.3358 -0.3077 -0.3072 -0.2370 -0.2352 -0.1418 -0.1413 5.2041 5.2045 5.3109 5.3125 5.4843 5.4849 5.5699 5.5717 6.4201 6.4203 8.9464 8.9472 k = 0.0000 0.0897-0.0000 ( 4855 PWs) bands (ev): -22.0478 -22.0478 -21.7025 -21.7025 -21.6990 -21.6990 -21.3798 -21.3798 -16.1295 -16.1295 -15.9182 -15.9182 -15.8715 -15.8715 -15.5398 -15.5398 -7.3757 -7.3752 -7.3371 -7.3359 -7.3207 -7.3193 -7.0079 -7.0070 -6.4518 -6.4513 -5.2636 -5.2613 -5.1901 -5.1896 -4.1880 -4.1842 -4.1183 -4.1177 -4.0982 -4.0945 -3.9543 -3.9501 -3.9500 -3.9456 -1.5144 -1.5107 -1.4191 -1.4163 -1.2226 -1.2218 -1.1954 -1.1912 -0.3426 -0.3406 -0.3030 -0.3023 -0.2380 -0.2365 -0.1425 -0.1415 5.1712 5.1716 5.3073 5.3091 5.4864 5.4871 5.5680 5.5700 6.4726 6.4729 8.9523 8.9532 k = 0.0000 0.1026-0.0000 ( 4871 PWs) bands (ev): -22.0438 -22.0438 -21.7023 -21.7023 -21.6977 -21.6977 -21.3829 -21.3829 -16.1353 -16.1352 -15.9246 -15.9246 -15.8649 -15.8649 -15.5391 -15.5391 -7.3843 -7.3837 -7.3355 -7.3344 -7.3255 -7.3236 -7.0035 -7.0025 -6.4460 -6.4454 -5.2800 -5.2774 -5.1853 -5.1848 -4.1944 -4.1902 -4.1290 -4.1287 -4.1073 -4.1035 -3.9430 -3.9385 -3.9355 -3.9308 -1.5084 -1.5042 -1.4211 -1.4184 -1.2167 -1.2158 -1.1829 -1.1785 -0.3483 -0.3462 -0.2977 -0.2968 -0.2405 -0.2396 -0.1420 -0.1404 5.1373 5.1377 5.3033 5.3053 5.4887 5.4895 5.5655 5.5678 6.5295 6.5297 8.9590 8.9600 k = 0.0000 0.1154-0.0000 ( 4875 PWs) bands (ev): -22.0394 -22.0394 -21.7020 -21.7020 -21.6962 -21.6962 -21.3863 -21.3863 -16.1414 -16.1413 -15.9316 -15.9316 -15.8579 -15.8579 -15.5385 -15.5384 -7.3935 -7.3928 -7.3362 -7.3354 -7.3282 -7.3257 -6.9990 -6.9979 -6.4394 -6.4388 -5.2979 -5.2952 -5.1800 -5.1794 -4.2011 -4.1967 -4.1398 -4.1397 -4.1172 -4.1135 -3.9320 -3.9272 -3.9197 -3.9148 -1.5027 -1.4980 -1.4217 -1.4190 -1.2102 -1.2092 -1.1694 -1.1648 -0.3547 -0.3524 -0.2917 -0.2908 -0.2450 -0.2446 -0.1400 -0.1377 5.1031 5.1035 5.2988 5.3011 5.4911 5.4920 5.5625 5.5652 6.5899 6.5902 8.9665 8.9676 k = 0.0000 0.1282-0.0000 ( 4865 PWs) bands (ev): -22.0344 -22.0344 -21.7018 -21.7018 -21.6945 -21.6945 -21.3901 -21.3901 -16.1476 -16.1475 -15.9393 -15.9393 -15.8505 -15.8505 -15.5378 -15.5378 -7.4031 -7.4024 -7.3414 -7.3404 -7.3266 -7.3241 -6.9943 -6.9931 -6.4320 -6.4313 -5.3174 -5.3144 -5.1740 -5.1734 -4.2083 -4.2036 -4.1510 -4.1506 -4.1281 -4.1245 -3.9210 -3.9160 -3.9029 -3.8979 -1.4978 -1.4926 -1.4201 -1.4175 -1.2032 -1.2020 -1.1551 -1.1503 -0.3617 -0.3593 -0.2852 -0.2843 -0.2515 -0.2515 -0.1363 -0.1333 5.0692 5.0697 5.2939 5.2964 5.4935 5.4946 5.5592 5.5621 6.6533 6.6536 8.9748 8.9759 k = 0.0000 0.1410-0.0000 ( 4863 PWs) bands (ev): -22.0290 -22.0290 -21.7015 -21.7015 -21.6927 -21.6927 -21.3944 -21.3943 -16.1540 -16.1539 -15.9475 -15.9475 -15.8427 -15.8427 -15.5373 -15.5372 -7.4132 -7.4124 -7.3484 -7.3471 -7.3233 -7.3208 -6.9898 -6.9885 -6.4238 -6.4232 -5.3381 -5.3349 -5.1674 -5.1668 -4.2158 -4.2109 -4.1621 -4.1615 -4.1399 -4.1364 -3.9099 -3.9047 -3.8856 -3.8804 -1.4939 -1.4884 -1.4160 -1.4133 -1.1958 -1.1944 -1.1399 -1.1351 -0.3693 -0.3669 -0.2785 -0.2784 -0.2598 -0.2594 -0.1310 -0.1275 5.0361 5.0366 5.2886 5.2912 5.4959 5.4971 5.5556 5.5588 6.7191 6.7194 8.9837 8.9848 k = 0.0000 0.1538-0.0000 ( 4861 PWs) bands (ev): -22.0231 -22.0231 -21.7013 -21.7013 -21.6907 -21.6907 -21.3989 -21.3989 -16.1605 -16.1604 -15.9562 -15.9562 -15.8348 -15.8347 -15.5369 -15.5368 -7.4236 -7.4226 -7.3561 -7.3547 -7.3194 -7.3167 -6.9854 -6.9840 -6.4149 -6.4143 -5.3599 -5.3566 -5.1603 -5.1596 -4.2236 -4.2185 -4.1733 -4.1724 -4.1525 -4.1492 -3.8988 -3.8933 -3.8677 -3.8624 -1.4913 -1.4857 -1.4092 -1.4063 -1.1880 -1.1865 -1.1241 -1.1192 -0.3775 -0.3751 -0.2785 -0.2756 -0.2657 -0.2628 -0.1245 -0.1204 5.0041 5.0046 5.2828 5.2856 5.4983 5.4996 5.5517 5.5551 6.7869 6.7873 8.9931 8.9943 k = 0.0000 0.1667-0.0000 ( 4859 PWs) bands (ev): -22.0167 -22.0167 -21.7011 -21.7011 -21.6886 -21.6886 -21.4039 -21.4039 -16.1669 -16.1668 -15.9654 -15.9654 -15.8266 -15.8266 -15.5366 -15.5365 -7.4341 -7.4331 -7.3645 -7.3630 -7.3149 -7.3122 -6.9813 -6.9797 -6.4054 -6.4048 -5.3828 -5.3794 -5.1525 -5.1518 -4.2318 -4.2263 -4.1844 -4.1834 -4.1660 -4.1629 -3.8877 -3.8820 -3.8496 -3.8442 -1.4897 -1.4841 -1.3999 -1.3966 -1.1799 -1.1783 -1.1076 -1.1026 -0.3862 -0.3839 -0.2889 -0.2854 -0.2601 -0.2571 -0.1168 -0.1123 4.9735 4.9741 5.2766 5.2796 5.5006 5.5020 5.5475 5.5512 6.8564 6.8567 9.0030 9.0042 k = 0.0000 0.1795-0.0000 ( 4863 PWs) bands (ev): -22.0100 -22.0099 -21.7009 -21.7009 -21.6863 -21.6863 -21.4092 -21.4092 -16.1733 -16.1731 -15.9749 -15.9749 -15.8183 -15.8183 -15.5366 -15.5365 -7.4447 -7.4436 -7.3734 -7.3717 -7.3100 -7.3071 -6.9774 -6.9757 -6.3951 -6.3945 -5.4065 -5.4030 -5.1442 -5.1434 -4.2401 -4.2345 -4.1955 -4.1946 -4.1802 -4.1774 -3.8765 -3.8706 -3.8314 -3.8258 -1.4888 -1.4834 -1.3883 -1.3847 -1.1717 -1.1700 -1.0905 -1.0856 -0.3955 -0.3932 -0.3028 -0.2991 -0.2518 -0.2489 -0.1083 -0.1035 4.9446 4.9453 5.2699 5.2730 5.5027 5.5043 5.5432 5.5471 6.9272 6.9275 9.0133 9.0144 k = 0.0000 0.1923-0.0000 ( 4865 PWs) bands (ev): -22.0027 -22.0027 -21.7008 -21.7008 -21.6840 -21.6839 -21.4148 -21.4148 -16.1795 -16.1794 -15.9848 -15.9848 -15.8099 -15.8099 -15.5367 -15.5366 -7.4553 -7.4542 -7.3827 -7.3809 -7.3045 -7.3015 -6.9739 -6.9720 -6.3842 -6.3837 -5.4309 -5.4273 -5.1352 -5.1344 -4.2487 -4.2428 -4.2066 -4.2061 -4.1948 -4.1927 -3.8653 -3.8591 -3.8132 -3.8075 -1.4881 -1.4828 -1.3750 -1.3711 -1.1634 -1.1615 -1.0729 -1.0680 -0.4054 -0.4030 -0.3184 -0.3145 -0.2428 -0.2399 -0.0993 -0.0942 4.9177 4.9183 5.2628 5.2660 5.5046 5.5064 5.5387 5.5429 6.9990 6.9994 9.0237 9.0248 k = 0.0000 0.2051-0.0000 ( 4859 PWs) bands (ev): -21.9951 -21.9951 -21.7008 -21.7008 -21.6815 -21.6814 -21.4208 -21.4208 -16.1855 -16.1854 -15.9950 -15.9950 -15.8014 -15.8014 -15.5371 -15.5369 -7.4657 -7.4646 -7.3923 -7.3905 -7.2986 -7.2954 -6.9707 -6.9688 -6.3727 -6.3722 -5.4559 -5.4522 -5.1256 -5.1248 -4.2575 -4.2513 -4.2187 -4.2180 -4.2091 -4.2084 -3.8541 -3.8477 -3.7952 -3.7893 -1.4873 -1.4822 -1.3602 -1.3559 -1.1552 -1.1532 -1.0549 -1.0500 -0.4156 -0.4134 -0.3355 -0.3312 -0.2334 -0.2304 -0.0899 -0.0845 4.8928 4.8935 5.2552 5.2585 5.5064 5.5083 5.5343 5.5387 7.0717 7.0721 9.0342 9.0352 k = 0.0000 0.2179-0.0000 ( 4859 PWs) bands (ev): -21.9871 -21.9871 -21.7009 -21.7008 -21.6788 -21.6788 -21.4271 -21.4271 -16.1913 -16.1912 -16.0054 -16.0054 -15.7929 -15.7929 -15.5377 -15.5375 -7.4761 -7.4749 -7.4022 -7.4003 -7.2922 -7.2888 -6.9681 -6.9659 -6.3606 -6.3601 -5.4814 -5.4776 -5.1155 -5.1146 -4.2665 -4.2601 -4.2334 -4.2304 -4.2235 -4.2217 -3.8429 -3.8363 -3.7775 -3.7715 -1.4861 -1.4812 -1.3443 -1.3397 -1.1472 -1.1450 -1.0365 -1.0317 -0.4264 -0.4241 -0.3536 -0.3490 -0.2237 -0.2205 -0.0803 -0.0747 4.8701 4.8709 5.2471 5.2505 5.5079 5.5099 5.5298 5.5344 7.1450 7.1454 9.0445 9.0454 k = 0.0000 0.2308-0.0000 ( 4863 PWs) bands (ev): -21.9788 -21.9787 -21.7010 -21.7010 -21.6761 -21.6760 -21.4337 -21.4336 -16.1968 -16.1967 -16.0160 -16.0160 -15.7843 -15.7843 -15.5385 -15.5384 -7.4862 -7.4850 -7.4123 -7.4104 -7.2853 -7.2818 -6.9659 -6.9636 -6.3479 -6.3476 -5.5072 -5.5034 -5.1047 -5.1038 -4.2759 -4.2693 -4.2497 -4.2455 -4.2362 -4.2330 -3.8316 -3.8248 -3.7603 -3.7541 -1.4842 -1.4796 -1.3274 -1.3225 -1.1394 -1.1371 -1.0178 -1.0131 -0.4375 -0.4353 -0.3728 -0.3679 -0.2137 -0.2104 -0.0707 -0.0650 4.8498 4.8506 5.2384 5.2419 5.5090 5.5112 5.5254 5.5301 7.2187 7.2191 9.0544 9.0552 k = 0.0000 0.2436-0.0000 ( 4867 PWs) bands (ev): -21.9701 -21.9700 -21.7013 -21.7013 -21.6732 -21.6732 -21.4405 -21.4405 -16.2020 -16.2019 -16.0267 -16.0267 -15.7758 -15.7758 -15.5396 -15.5395 -7.4961 -7.4948 -7.4226 -7.4206 -7.2779 -7.2743 -6.9643 -6.9619 -6.3348 -6.3345 -5.5333 -5.5295 -5.0934 -5.0924 -4.2861 -4.2797 -4.2660 -4.2621 -4.2472 -4.2436 -3.8203 -3.8134 -3.7437 -3.7374 -1.4816 -1.4772 -1.3096 -1.3044 -1.1321 -1.1296 -0.9988 -0.9943 -0.4490 -0.4468 -0.3929 -0.3876 -0.2034 -0.2000 -0.0612 -0.0553 4.8318 4.8327 5.2292 5.2328 5.5099 5.5123 5.5210 5.5260 7.2926 7.2930 9.0637 9.0643 k = 0.0000 0.2564-0.0000 ( 4857 PWs) bands (ev): -21.9610 -21.9610 -21.7018 -21.7017 -21.6702 -21.6702 -21.4477 -21.4476 -16.2069 -16.2067 -16.0375 -16.0375 -15.7672 -15.7672 -15.5410 -15.5409 -7.5056 -7.5042 -7.4330 -7.4310 -7.2700 -7.2663 -6.9632 -6.9607 -6.3211 -6.3209 -5.5595 -5.5557 -5.0814 -5.0804 -4.2983 -4.2940 -4.2794 -4.2778 -4.2576 -4.2538 -3.8091 -3.8019 -3.7278 -3.7213 -1.4781 -1.4740 -1.2911 -1.2857 -1.1253 -1.1226 -0.9796 -0.9753 -0.4607 -0.4586 -0.4138 -0.4081 -0.1930 -0.1894 -0.0519 -0.0459 4.8162 4.8172 5.2194 5.2230 5.5105 5.5130 5.5168 5.5219 7.3667 7.3670 9.0720 9.0724 k = 0.0000 0.2692-0.0000 ( 4857 PWs) bands (ev): -21.9517 -21.9517 -21.7024 -21.7023 -21.6672 -21.6671 -21.4551 -21.4550 -16.2113 -16.2112 -16.0484 -16.0483 -15.7587 -15.7587 -15.5427 -15.5426 -7.5147 -7.5133 -7.4435 -7.4414 -7.2617 -7.2578 -6.9627 -6.9600 -6.3071 -6.3070 -5.5858 -5.5820 -5.0688 -5.0677 -4.3137 -4.3122 -4.2908 -4.2895 -4.2676 -4.2636 -3.7979 -3.7906 -3.7127 -3.7061 -1.4736 -1.4697 -1.2720 -1.2664 -1.1192 -1.1164 -0.9604 -0.9562 -0.4727 -0.4707 -0.4354 -0.4294 -0.1824 -0.1787 -0.0430 -0.0369 4.8032 4.8042 5.2090 5.2127 5.5106 5.5129 5.5134 5.5180 7.4407 7.4410 9.0789 9.0792 k = 0.0000 0.2821-0.0000 ( 4869 PWs) bands (ev): -21.9421 -21.9421 -21.7032 -21.7031 -21.6640 -21.6640 -21.4627 -21.4626 -16.2154 -16.2153 -16.0592 -16.0592 -15.7503 -15.7503 -15.5447 -15.5446 -7.5234 -7.5219 -7.4539 -7.4518 -7.2529 -7.2490 -6.9629 -6.9601 -6.2926 -6.2926 -5.6121 -5.6083 -5.0555 -5.0545 -4.3323 -4.3323 -4.3012 -4.2982 -4.2773 -4.2731 -3.7867 -3.7792 -3.6985 -3.6917 -1.4681 -1.4645 -1.2523 -1.2465 -1.1139 -1.1110 -0.9412 -0.9371 -0.4849 -0.4830 -0.4576 -0.4512 -0.1717 -0.1679 -0.0346 -0.0283 4.7926 4.7937 5.1980 5.2017 5.5085 5.5110 5.5131 5.5146 7.5144 7.5147 9.0842 9.0843 k = 0.0000 0.2949-0.0000 ( 4871 PWs) bands (ev): -21.9323 -21.9323 -21.7042 -21.7041 -21.6608 -21.6607 -21.4704 -21.4704 -16.2191 -16.2190 -16.0700 -16.0699 -15.7419 -15.7418 -15.5470 -15.5469 -7.5316 -7.5301 -7.4642 -7.4621 -7.2437 -7.2396 -6.9637 -6.9607 -6.2779 -6.2778 -5.6383 -5.6345 -5.0416 -5.0406 -4.3535 -4.3528 -4.3102 -4.3062 -4.2866 -4.2823 -3.7755 -3.7680 -3.6853 -3.6784 -1.4615 -1.4581 -1.2322 -1.2262 -1.1096 -1.1065 -0.9220 -0.9181 -0.4972 -0.4956 -0.4803 -0.4733 -0.1610 -0.1570 -0.0267 -0.0204 4.7845 4.7856 5.1864 5.1901 5.5049 5.5103 5.5106 5.5137 7.5879 7.5882 9.0872 9.0874 k = 0.0000 0.3077-0.0000 ( 4879 PWs) bands (ev): -21.9223 -21.9223 -21.7054 -21.7054 -21.6574 -21.6574 -21.4784 -21.4784 -16.2223 -16.2222 -16.0807 -16.0806 -15.7335 -15.7335 -15.5496 -15.5495 -7.5393 -7.5378 -7.4744 -7.4722 -7.2341 -7.2299 -6.9652 -6.9621 -6.2629 -6.2627 -5.6643 -5.6605 -5.0271 -5.0260 -4.3754 -4.3743 -4.3184 -4.3139 -4.2956 -4.2912 -3.7645 -3.7568 -3.6732 -3.6661 -1.4537 -1.4506 -1.2116 -1.2054 -1.1065 -1.1032 -0.9029 -0.8993 -0.5100 -0.5089 -0.5031 -0.4953 -0.1503 -0.1462 -0.0195 -0.0131 4.7788 4.7800 5.1741 5.1778 5.5015 5.5070 5.5099 5.5131 7.6609 7.6611 9.0876 9.0880 k = 0.0000 0.3205-0.0000 ( 4867 PWs) bands (ev): -21.9120 -21.9120 -21.7069 -21.7069 -21.6540 -21.6540 -21.4865 -21.4864 -16.2250 -16.2249 -16.0912 -16.0912 -15.7252 -15.7252 -15.5525 -15.5524 -7.5465 -7.5449 -7.4843 -7.4822 -7.2241 -7.2198 -6.9673 -6.9641 -6.2476 -6.2473 -5.6900 -5.6864 -5.0119 -5.0108 -4.3979 -4.3965 -4.3259 -4.3211 -4.3043 -4.2997 -3.7535 -3.7457 -3.6621 -3.6550 -1.4448 -1.4420 -1.1905 -1.1843 -1.1045 -1.1011 -0.8841 -0.8807 -0.5283 -0.5252 -0.5206 -0.5147 -0.1396 -0.1353 -0.0130 -0.0066 4.7756 4.7769 5.1611 5.1648 5.4983 5.5040 5.5090 5.5123 7.7334 7.7336 9.0851 9.0857 k = 0.0000 0.3333-0.0000 ( 4861 PWs) bands (ev): -21.9017 -21.9017 -21.7087 -21.7087 -21.6505 -21.6504 -21.4947 -21.4946 -16.2272 -16.2271 -16.1016 -16.1016 -15.7170 -15.7170 -15.5556 -15.5555 -7.5531 -7.5515 -7.4940 -7.4919 -7.2137 -7.2094 -6.9701 -6.9668 -6.2320 -6.2315 -5.7155 -5.7119 -4.9961 -4.9949 -4.4208 -4.4194 -4.3330 -4.3279 -4.3126 -4.3078 -3.7427 -3.7348 -3.6523 -3.6450 -1.4347 -1.4322 -1.1692 -1.1628 -1.1038 -1.1004 -0.8655 -0.8624 -0.5519 -0.5466 -0.5332 -0.5292 -0.1290 -0.1245 -0.0073 -0.0008 4.7747 4.7761 5.1475 5.1512 5.4954 5.5011 5.5078 5.5113 7.8052 7.8054 9.0791 9.0799 k = 0.0000 0.3462-0.0000 ( 4859 PWs) bands (ev): -21.8912 -21.8912 -21.7109 -21.7108 -21.6469 -21.6468 -21.5029 -21.5029 -16.2290 -16.2288 -16.1118 -16.1118 -15.7089 -15.7088 -15.5591 -15.5590 -7.5591 -7.5574 -7.5035 -7.5013 -7.2030 -7.1986 -6.9737 -6.9702 -6.2161 -6.2155 -5.7406 -5.7371 -4.9796 -4.9784 -4.4442 -4.4427 -4.3396 -4.3343 -4.3204 -4.3155 -3.7321 -3.7240 -3.6436 -3.6362 -1.4235 -1.4214 -1.1475 -1.1411 -1.1046 -1.1012 -0.8473 -0.8445 -0.5760 -0.5699 -0.5452 -0.5418 -0.1184 -0.1138 -0.0024 0.0041 4.7761 4.7775 5.1332 5.1368 5.4928 5.4986 5.5064 5.5101 7.8763 7.8764 9.0694 9.0704 k = 0.0000 0.3590-0.0000 ( 4847 PWs) bands (ev): -21.8806 -21.8806 -21.7133 -21.7133 -21.6431 -21.6431 -21.5111 -21.5111 -16.2301 -16.2300 -16.1217 -16.1217 -15.7008 -15.7008 -15.5628 -15.5627 -7.5645 -7.5628 -7.5125 -7.5104 -7.1920 -7.1875 -6.9779 -6.9743 -6.2000 -6.1993 -5.7653 -5.7619 -4.9624 -4.9612 -4.4680 -4.4664 -4.3456 -4.3402 -4.3279 -4.3228 -3.7216 -3.7134 -3.6362 -3.6286 -1.4112 -1.4094 -1.1256 -1.1198 -1.1062 -1.1034 -0.8295 -0.8271 -0.6004 -0.5939 -0.5569 -0.5538 -0.1080 -0.1033 0.0016 0.0081 4.7797 4.7812 5.1182 5.1218 5.4905 5.4963 5.5049 5.5088 7.9466 7.9467 9.0556 9.0568 k = 0.0000 0.3718-0.0000 ( 4862 PWs) bands (ev): -21.8701 -21.8700 -21.7162 -21.7162 -21.6393 -21.6392 -21.5194 -21.5193 -16.2308 -16.2307 -16.1314 -16.1314 -15.6929 -15.6929 -15.5669 -15.5667 -7.5692 -7.5675 -7.5212 -7.5191 -7.1808 -7.1763 -6.9828 -6.9791 -6.1837 -6.1829 -5.7896 -5.7863 -4.9446 -4.9434 -4.4920 -4.4905 -4.3512 -4.3457 -4.3349 -4.3297 -3.7113 -3.7031 -3.6300 -3.6223 -1.3979 -1.3965 -1.1123 -1.1086 -1.1022 -1.0954 -0.8123 -0.8101 -0.6250 -0.6182 -0.5684 -0.5655 -0.0978 -0.0929 0.0046 0.0112 4.7852 4.7869 5.1025 5.1060 5.4885 5.4944 5.5031 5.5072 8.0159 8.0159 9.0376 9.0389 k = 0.0000 0.3846-0.0000 ( 4854 PWs) bands (ev): -21.8595 -21.8594 -21.7195 -21.7195 -21.6353 -21.6353 -21.5275 -21.5275 -16.2309 -16.2308 -16.1408 -16.1407 -15.6851 -15.6850 -15.5711 -15.5710 -7.5733 -7.5715 -7.5294 -7.5273 -7.1694 -7.1648 -6.9884 -6.9846 -6.1671 -6.1662 -5.8134 -5.8102 -4.9261 -4.9250 -4.5162 -4.5147 -4.3562 -4.3506 -4.3413 -4.3361 -3.7013 -3.6930 -3.6250 -3.6172 -1.3836 -1.3825 -1.1174 -1.1135 -1.0804 -1.0733 -0.7956 -0.7937 -0.6496 -0.6426 -0.5796 -0.5768 -0.0878 -0.0827 0.0068 0.0133 4.7928 4.7945 5.0863 5.0897 5.4868 5.4927 5.5013 5.5055 8.0842 8.0843 9.0151 9.0166 k = 0.0000 0.3974-0.0000 ( 4846 PWs) bands (ev): -21.8489 -21.8489 -21.7233 -21.7233 -21.6313 -21.6312 -21.5356 -21.5355 -16.2305 -16.2304 -16.1498 -16.1497 -15.6774 -15.6773 -15.5757 -15.5756 -7.5766 -7.5748 -7.5372 -7.5351 -7.1578 -7.1532 -6.9947 -6.9907 -6.1503 -6.1492 -5.8368 -5.8337 -4.9071 -4.9059 -4.5406 -4.5391 -4.3606 -4.3550 -4.3473 -4.3419 -3.6916 -3.6833 -3.6213 -3.6134 -1.3685 -1.3677 -1.1245 -1.1208 -1.0578 -1.0506 -0.7795 -0.7779 -0.6743 -0.6671 -0.5905 -0.5878 -0.0780 -0.0728 0.0080 0.0146 4.8022 4.8040 5.0695 5.0728 5.4855 5.4913 5.4994 5.5038 8.1515 8.1516 8.9883 8.9898 k = 0.0000 0.4103-0.0000 ( 4840 PWs) bands (ev): -21.8385 -21.8385 -21.7276 -21.7275 -21.6270 -21.6270 -21.5435 -21.5434 -16.2295 -16.2294 -16.1584 -16.1584 -15.6698 -15.6697 -15.5805 -15.5804 -7.5793 -7.5775 -7.5444 -7.5423 -7.1461 -7.1415 -7.0016 -6.9976 -6.1333 -6.1321 -5.8597 -5.8567 -4.8874 -4.8862 -4.5651 -4.5636 -4.3645 -4.3588 -4.3527 -4.3473 -3.6823 -3.6739 -3.6187 -3.6107 -1.3525 -1.3520 -1.1334 -1.1297 -1.0348 -1.0277 -0.7640 -0.7627 -0.6989 -0.6916 -0.6011 -0.5986 -0.0685 -0.0632 0.0083 0.0148 4.8132 4.8151 5.0521 5.0554 5.4844 5.4903 5.4974 5.5019 8.2176 8.2178 8.9572 8.9588 k = 0.0000 0.4231-0.0000 ( 4842 PWs) bands (ev): -21.8282 -21.8282 -21.7323 -21.7323 -21.6227 -21.6226 -21.5512 -21.5512 -16.2279 -16.2278 -16.1667 -16.1666 -15.6623 -15.6623 -15.5856 -15.5855 -7.5813 -7.5795 -7.5511 -7.5490 -7.1343 -7.1297 -7.0092 -7.0050 -6.1160 -6.1147 -5.8821 -5.8792 -4.8671 -4.8659 -4.5897 -4.5882 -4.3678 -4.3620 -4.3576 -4.3521 -3.6733 -3.6649 -3.6173 -3.6092 -1.3358 -1.3358 -1.1438 -1.1403 -1.0117 -1.0045 -0.7492 -0.7482 -0.7235 -0.7160 -0.6115 -0.6091 -0.0594 -0.0539 0.0076 0.0141 4.8257 4.8277 5.0343 5.0375 5.4837 5.4895 5.4954 5.5001 8.2825 8.2828 8.9219 8.9236 k = 0.0000 0.4359-0.0000 ( 4840 PWs) bands (ev): -21.8181 -21.8180 -21.7376 -21.7376 -21.6181 -21.6181 -21.5587 -21.5586 -16.2258 -16.2257 -16.1745 -16.1745 -15.6550 -15.6549 -15.5909 -15.5908 -7.5826 -7.5807 -7.5573 -7.5552 -7.1226 -7.1179 -7.0173 -7.0131 -6.0985 -6.0970 -5.9040 -5.9012 -4.8462 -4.8450 -4.6142 -4.6128 -4.3705 -4.3647 -4.3619 -4.3563 -3.6648 -3.6563 -3.6171 -3.6089 -1.3189 -1.3186 -1.1557 -1.1524 -0.9884 -0.9811 -0.7483 -0.7419 -0.7341 -0.7336 -0.6217 -0.6195 -0.0506 -0.0450 0.0061 0.0126 4.8395 4.8416 5.0161 5.0192 5.4833 5.4891 5.4935 5.4983 8.3461 8.3466 8.8829 8.8845 k = 0.0000 0.4487-0.0000 ( 4836 PWs) bands (ev): -21.8082 -21.8082 -21.7434 -21.7434 -21.6133 -21.6133 -21.5659 -21.5659 -16.2231 -16.2230 -16.1819 -16.1819 -15.6478 -15.6477 -15.5964 -15.5963 -7.5832 -7.5813 -7.5628 -7.5607 -7.1109 -7.1062 -7.0260 -7.0217 -6.0807 -6.0791 -5.9253 -5.9227 -4.8248 -4.8236 -4.6386 -4.6372 -4.3725 -4.3667 -4.3656 -4.3600 -3.6568 -3.6483 -3.6179 -3.6096 -1.3016 -1.3010 -1.1689 -1.1658 -0.9650 -0.9576 -0.7727 -0.7654 -0.7210 -0.7209 -0.6319 -0.6299 -0.0422 -0.0365 0.0037 0.0101 4.8546 4.8568 4.9976 5.0006 5.4832 5.4889 5.4917 5.4967 8.4083 8.4089 8.8404 8.8419 k = 0.0000 0.4615-0.0000 ( 4844 PWs) bands (ev): -21.7986 -21.7986 -21.7498 -21.7498 -21.6084 -21.6083 -21.5729 -21.5728 -16.2198 -16.2197 -16.1889 -16.1888 -15.6408 -15.6407 -15.6021 -15.6021 -7.5831 -7.5812 -7.5677 -7.5656 -7.0993 -7.0947 -7.0353 -7.0309 -6.0626 -6.0608 -5.9463 -5.9437 -4.8029 -4.8017 -4.6629 -4.6616 -4.3739 -4.3687 -4.3681 -4.3630 -3.6494 -3.6409 -3.6198 -3.6114 -1.2841 -1.2832 -1.1833 -1.1804 -0.9414 -0.9340 -0.7972 -0.7897 -0.7083 -0.7081 -0.6420 -0.6403 -0.0343 -0.0285 0.0004 0.0068 4.8706 4.8729 4.9789 4.9818 5.4834 5.4891 5.4899 5.4950 8.4691 8.4698 8.7947 8.7961 k = 0.0000 0.4744-0.0000 ( 4834 PWs) bands (ev): -21.7894 -21.7893 -21.7567 -21.7567 -21.6032 -21.6031 -21.5795 -21.5795 -16.2160 -16.2159 -16.1953 -16.1952 -15.6339 -15.6338 -15.6081 -15.6080 -7.5823 -7.5803 -7.5719 -7.5699 -7.0879 -7.0833 -7.0450 -7.0406 -6.0442 -6.0423 -5.9667 -5.9643 -4.7805 -4.7792 -4.6870 -4.6857 -4.3747 -4.3712 -4.3688 -4.3654 -3.6425 -3.6340 -3.6226 -3.6142 -1.2665 -1.2652 -1.1987 -1.1960 -0.9176 -0.9102 -0.8215 -0.8140 -0.6962 -0.6957 -0.6523 -0.6508 -0.0270 -0.0210 -0.0036 0.0027 4.8875 4.8899 4.9602 4.9630 5.4839 5.4883 5.4895 5.4935 8.5283 8.5292 8.7461 8.7474 k = 0.0000 0.4872-0.0000 ( 4832 PWs) bands (ev): -21.7805 -21.7805 -21.7642 -21.7641 -21.5977 -21.5976 -21.5859 -21.5858 -16.2116 -16.2115 -16.2013 -16.2012 -15.6272 -15.6271 -15.6143 -15.6142 -7.5807 -7.5787 -7.5755 -7.5735 -7.0767 -7.0721 -7.0552 -7.0507 -6.0254 -6.0234 -5.9867 -5.9844 -4.7577 -4.7564 -4.7109 -4.7096 -4.3748 -4.3730 -4.3689 -4.3672 -3.6364 -3.6279 -3.6263 -3.6179 -1.2490 -1.2473 -1.2148 -1.2125 -0.8938 -0.8863 -0.8457 -0.8382 -0.6846 -0.6839 -0.6627 -0.6615 -0.0201 -0.0141 -0.0084 -0.0022 4.9051 4.9076 4.9416 4.9443 5.4846 5.4869 5.4902 5.4922 8.5858 8.5868 8.6949 8.6961 k = 0.0000 0.5000-0.0000 ( 4832 PWs) bands (ev): -21.7721 -21.7721 -21.7721 -21.7721 -21.5919 -21.5919 -21.5919 -21.5919 -16.2067 -16.2067 -16.2066 -16.2066 -15.6206 -15.6206 -15.6205 -15.6205 -7.5785 -7.5785 -7.5765 -7.5765 -7.0658 -7.0658 -7.0612 -7.0612 -6.0062 -6.0062 -6.0041 -6.0041 -4.7345 -4.7345 -4.7332 -4.7332 -4.3742 -4.3742 -4.3684 -4.3684 -3.6310 -3.6310 -3.6225 -3.6225 -1.2317 -1.2317 -1.2297 -1.2297 -0.8698 -0.8698 -0.8623 -0.8623 -0.6735 -0.6735 -0.6725 -0.6725 -0.0140 -0.0140 -0.0078 -0.0078 4.9232 4.9232 4.9258 4.9258 5.4857 5.4857 5.4911 5.4911 8.6414 8.6414 8.6425 8.6425 k = 0.0000 0.5000-0.0000 ( 4832 PWs) bands (ev): -21.7721 -21.7721 -21.7721 -21.7721 -21.5919 -21.5919 -21.5919 -21.5919 -16.2067 -16.2067 -16.2066 -16.2066 -15.6206 -15.6206 -15.6205 -15.6205 -7.5785 -7.5785 -7.5765 -7.5765 -7.0658 -7.0658 -7.0612 -7.0612 -6.0062 -6.0062 -6.0041 -6.0041 -4.7345 -4.7345 -4.7332 -4.7332 -4.3742 -4.3742 -4.3684 -4.3684 -3.6310 -3.6310 -3.6225 -3.6225 -1.2317 -1.2317 -1.2297 -1.2297 -0.8698 -0.8698 -0.8623 -0.8623 -0.6735 -0.6735 -0.6725 -0.6725 -0.0140 -0.0140 -0.0078 -0.0078 4.9232 4.9232 4.9258 4.9258 5.4857 5.4857 5.4911 5.4911 8.6414 8.6414 8.6425 8.6425 k = 0.0128 0.5000-0.0000 ( 4838 PWs) bands (ev): -21.7720 -21.7720 -21.7720 -21.7720 -21.5919 -21.5919 -21.5919 -21.5919 -16.2066 -16.2066 -16.2065 -16.2065 -15.6210 -15.6210 -15.6209 -15.6209 -7.5784 -7.5784 -7.5763 -7.5763 -7.0660 -7.0660 -7.0614 -7.0614 -6.0059 -6.0059 -6.0038 -6.0038 -4.7356 -4.7356 -4.7342 -4.7342 -4.3741 -4.3741 -4.3683 -4.3683 -3.6311 -3.6311 -3.6227 -3.6227 -1.2314 -1.2314 -1.2294 -1.2293 -0.8695 -0.8695 -0.8620 -0.8620 -0.6726 -0.6726 -0.6716 -0.6715 -0.0142 -0.0142 -0.0081 -0.0080 4.9234 4.9234 4.9260 4.9261 5.4856 5.4856 5.4911 5.4911 8.6418 8.6418 8.6429 8.6429 k = 0.0256 0.5000-0.0000 ( 4850 PWs) bands (ev): -21.7716 -21.7716 -21.7716 -21.7716 -21.5920 -21.5920 -21.5919 -21.5919 -16.2062 -16.2062 -16.2061 -16.2061 -15.6221 -15.6221 -15.6220 -15.6220 -7.5780 -7.5780 -7.5760 -7.5760 -7.0666 -7.0666 -7.0620 -7.0620 -6.0051 -6.0051 -6.0029 -6.0029 -4.7391 -4.7391 -4.7375 -4.7375 -4.3737 -4.3737 -4.3678 -4.3678 -3.6316 -3.6316 -3.6232 -3.6232 -1.2304 -1.2304 -1.2283 -1.2283 -0.8686 -0.8686 -0.8612 -0.8612 -0.6699 -0.6699 -0.6688 -0.6688 -0.0149 -0.0149 -0.0087 -0.0087 4.9243 4.9243 4.9269 4.9269 5.4855 5.4855 5.4909 5.4909 8.6431 8.6432 8.6443 8.6443 k = 0.0385 0.5000-0.0000 ( 4866 PWs) bands (ev): -21.7710 -21.7710 -21.7710 -21.7710 -21.5921 -21.5921 -21.5920 -21.5920 -16.2056 -16.2056 -16.2055 -16.2055 -15.6238 -15.6238 -15.6237 -15.6237 -7.5774 -7.5774 -7.5754 -7.5754 -7.0675 -7.0675 -7.0630 -7.0630 -6.0036 -6.0036 -6.0014 -6.0014 -4.7448 -4.7448 -4.7429 -4.7428 -4.3730 -4.3730 -4.3671 -4.3671 -3.6324 -3.6324 -3.6240 -3.6240 -1.2288 -1.2288 -1.2267 -1.2266 -0.8672 -0.8672 -0.8598 -0.8598 -0.6655 -0.6654 -0.6643 -0.6642 -0.0160 -0.0160 -0.0099 -0.0099 4.9258 4.9258 4.9284 4.9285 5.4853 5.4853 5.4908 5.4908 8.6454 8.6454 8.6465 8.6465 k = 0.0513 0.5000-0.0000 ( 4858 PWs) bands (ev): -21.7702 -21.7702 -21.7701 -21.7701 -21.5922 -21.5922 -21.5922 -21.5922 -16.2047 -16.2047 -16.2046 -16.2046 -15.6263 -15.6263 -15.6262 -15.6262 -7.5766 -7.5766 -7.5745 -7.5745 -7.0689 -7.0689 -7.0643 -7.0643 -6.0015 -6.0015 -5.9993 -5.9993 -4.7526 -4.7526 -4.7503 -4.7503 -4.3722 -4.3721 -4.3661 -4.3661 -3.6335 -3.6335 -3.6252 -3.6252 -1.2266 -1.2266 -1.2243 -1.2243 -0.8651 -0.8651 -0.8577 -0.8577 -0.6594 -0.6593 -0.6580 -0.6579 -0.0176 -0.0176 -0.0114 -0.0114 4.9280 4.9280 4.9306 4.9306 5.4852 5.4852 5.4905 5.4905 8.6485 8.6486 8.6497 8.6497 k = 0.0641 0.5000-0.0000 ( 4856 PWs) bands (ev): -21.7691 -21.7691 -21.7691 -21.7690 -21.5924 -21.5924 -21.5923 -21.5923 -16.2036 -16.2036 -16.2035 -16.2035 -15.6294 -15.6294 -15.6293 -15.6293 -7.5755 -7.5755 -7.5734 -7.5734 -7.0706 -7.0706 -7.0661 -7.0661 -5.9988 -5.9988 -5.9967 -5.9967 -4.7624 -4.7624 -4.7598 -4.7598 -4.3711 -4.3710 -4.3650 -4.3649 -3.6350 -3.6350 -3.6268 -3.6268 -1.2236 -1.2236 -1.2212 -1.2212 -0.8624 -0.8624 -0.8551 -0.8551 -0.6516 -0.6515 -0.6501 -0.6500 -0.0197 -0.0197 -0.0134 -0.0134 4.9307 4.9307 4.9334 4.9334 5.4849 5.4849 5.4903 5.4903 8.6526 8.6526 8.6538 8.6538 k = 0.0769 0.5000-0.0000 ( 4864 PWs) bands (ev): -21.7678 -21.7678 -21.7677 -21.7677 -21.5926 -21.5926 -21.5925 -21.5925 -16.2022 -16.2022 -16.2021 -16.2021 -15.6333 -15.6333 -15.6332 -15.6332 -7.5742 -7.5742 -7.5720 -7.5720 -7.0727 -7.0726 -7.0682 -7.0682 -5.9956 -5.9956 -5.9935 -5.9934 -4.7741 -4.7741 -4.7712 -4.7711 -4.3698 -4.3698 -4.3637 -4.3636 -3.6369 -3.6369 -3.6288 -3.6288 -1.2201 -1.2200 -1.2174 -1.2174 -0.8590 -0.8590 -0.8518 -0.8518 -0.6424 -0.6423 -0.6408 -0.6407 -0.0222 -0.0222 -0.0159 -0.0159 4.9341 4.9341 4.9368 4.9368 5.4846 5.4846 5.4899 5.4899 8.6576 8.6576 8.6588 8.6588 k = 0.0897 0.5000-0.0000 ( 4860 PWs) bands (ev): -21.7662 -21.7662 -21.7662 -21.7662 -21.5928 -21.5928 -21.5928 -21.5928 -16.2005 -16.2005 -16.2004 -16.2004 -15.6378 -15.6378 -15.6377 -15.6377 -7.5726 -7.5725 -7.5703 -7.5703 -7.0751 -7.0751 -7.0707 -7.0707 -5.9918 -5.9918 -5.9897 -5.9897 -4.7875 -4.7874 -4.7843 -4.7843 -4.3685 -4.3684 -4.3622 -4.3622 -3.6392 -3.6391 -3.6312 -3.6312 -1.2158 -1.2158 -1.2130 -1.2130 -0.8550 -0.8550 -0.8479 -0.8479 -0.6317 -0.6316 -0.6300 -0.6299 -0.0251 -0.0251 -0.0188 -0.0188 4.9381 4.9381 4.9408 4.9409 5.4842 5.4843 5.4895 5.4895 8.6635 8.6635 8.6647 8.6647 k = 0.1026 0.5000-0.0000 ( 4856 PWs) bands (ev): -21.7644 -21.7644 -21.7644 -21.7644 -21.5931 -21.5931 -21.5931 -21.5931 -16.1986 -16.1986 -16.1985 -16.1985 -15.6429 -15.6429 -15.6428 -15.6428 -7.5707 -7.5707 -7.5684 -7.5684 -7.0780 -7.0780 -7.0736 -7.0736 -5.9874 -5.9874 -5.9853 -5.9853 -4.8024 -4.8024 -4.7990 -4.7990 -4.3670 -4.3669 -4.3607 -4.3607 -3.6419 -3.6419 -3.6341 -3.6340 -1.2108 -1.2108 -1.2078 -1.2078 -0.8504 -0.8503 -0.8432 -0.8432 -0.6198 -0.6197 -0.6180 -0.6179 -0.0284 -0.0284 -0.0221 -0.0221 4.9428 4.9428 4.9455 4.9455 5.4838 5.4838 5.4890 5.4890 8.6703 8.6703 8.6716 8.6716 k = 0.1154 0.5000-0.0000 ( 4856 PWs) bands (ev): -21.7624 -21.7624 -21.7624 -21.7624 -21.5935 -21.5935 -21.5934 -21.5934 -16.1964 -16.1964 -16.1963 -16.1963 -15.6487 -15.6487 -15.6486 -15.6486 -7.5685 -7.5685 -7.5662 -7.5661 -7.0812 -7.0812 -7.0769 -7.0768 -5.9826 -5.9825 -5.9805 -5.9805 -4.8188 -4.8188 -4.8152 -4.8152 -4.3655 -4.3654 -4.3592 -4.3591 -3.6451 -3.6451 -3.6374 -3.6374 -1.2051 -1.2051 -1.2019 -1.2019 -0.8450 -0.8450 -0.8380 -0.8380 -0.6068 -0.6067 -0.6048 -0.6047 -0.0322 -0.0322 -0.0258 -0.0258 4.9481 4.9481 4.9509 4.9509 5.4833 5.4833 5.4884 5.4884 8.6781 8.6781 8.6794 8.6794 k = 0.1282 0.5000-0.0000 ( 4852 PWs) bands (ev): -21.7602 -21.7602 -21.7602 -21.7602 -21.5939 -21.5939 -21.5938 -21.5938 -16.1939 -16.1939 -16.1938 -16.1938 -15.6551 -15.6551 -15.6550 -15.6550 -7.5660 -7.5660 -7.5636 -7.5636 -7.0848 -7.0848 -7.0805 -7.0805 -5.9772 -5.9771 -5.9751 -5.9751 -4.8365 -4.8365 -4.8327 -4.8327 -4.3639 -4.3639 -4.3576 -4.3576 -3.6489 -3.6488 -3.6413 -3.6413 -1.1987 -1.1987 -1.1953 -1.1953 -0.8391 -0.8391 -0.8321 -0.8321 -0.5927 -0.5926 -0.5907 -0.5906 -0.0364 -0.0364 -0.0299 -0.0299 4.9540 4.9540 4.9568 4.9569 5.4827 5.4827 5.4877 5.4877 8.6868 8.6868 8.6881 8.6881 k = 0.1410 0.5000-0.0000 ( 4848 PWs) bands (ev): -21.7578 -21.7578 -21.7578 -21.7578 -21.5943 -21.5943 -21.5943 -21.5943 -16.1912 -16.1912 -16.1911 -16.1911 -15.6621 -15.6621 -15.6620 -15.6619 -7.5632 -7.5632 -7.5607 -7.5607 -7.0889 -7.0888 -7.0846 -7.0846 -5.9713 -5.9713 -5.9692 -5.9692 -4.8553 -4.8553 -4.8514 -4.8514 -4.3623 -4.3623 -4.3561 -4.3560 -3.6531 -3.6531 -3.6458 -3.6458 -1.1916 -1.1915 -1.1880 -1.1879 -0.8327 -0.8326 -0.8257 -0.8257 -0.5778 -0.5777 -0.5757 -0.5756 -0.0410 -0.0409 -0.0344 -0.0344 4.9606 4.9607 4.9635 4.9635 5.4820 5.4820 5.4869 5.4870 8.6965 8.6965 8.6978 8.6978 k = 0.1538 0.5000-0.0000 ( 4848 PWs) bands (ev): -21.7552 -21.7552 -21.7552 -21.7552 -21.5948 -21.5948 -21.5948 -21.5948 -16.1882 -16.1881 -16.1880 -16.1880 -15.6696 -15.6696 -15.6695 -15.6695 -7.5601 -7.5600 -7.5576 -7.5575 -7.0933 -7.0932 -7.0891 -7.0890 -5.9649 -5.9649 -5.9629 -5.9629 -4.8751 -4.8750 -4.8711 -4.8710 -4.3607 -4.3606 -4.3545 -4.3544 -3.6580 -3.6579 -3.6508 -3.6508 -1.1837 -1.1837 -1.1799 -1.1799 -0.8257 -0.8257 -0.8188 -0.8188 -0.5621 -0.5620 -0.5599 -0.5598 -0.0459 -0.0459 -0.0393 -0.0393 4.9679 4.9679 4.9708 4.9709 5.4813 5.4813 5.4861 5.4861 8.7071 8.7072 8.7085 8.7085 k = 0.1667 0.5000-0.0000 ( 4840 PWs) bands (ev): -21.7524 -21.7524 -21.7524 -21.7524 -21.5954 -21.5954 -21.5954 -21.5954 -16.1848 -16.1848 -16.1847 -16.1847 -15.6777 -15.6777 -15.6776 -15.6776 -7.5566 -7.5566 -7.5540 -7.5540 -7.0980 -7.0980 -7.0939 -7.0939 -5.9581 -5.9581 -5.9562 -5.9561 -4.8957 -4.8956 -4.8916 -4.8916 -4.3591 -4.3590 -4.3529 -4.3528 -3.6634 -3.6633 -3.6564 -3.6564 -1.1751 -1.1751 -1.1711 -1.1711 -0.8182 -0.8182 -0.8114 -0.8113 -0.5458 -0.5457 -0.5436 -0.5435 -0.0512 -0.0512 -0.0445 -0.0445 4.9759 4.9759 4.9788 4.9788 5.4804 5.4804 5.4851 5.4852 8.7188 8.7188 8.7201 8.7201 k = 0.1795 0.5000-0.0000 ( 4824 PWs) bands (ev): -21.7494 -21.7494 -21.7494 -21.7494 -21.5961 -21.5961 -21.5960 -21.5960 -16.1812 -16.1812 -16.1811 -16.1811 -15.6864 -15.6864 -15.6862 -15.6862 -7.5528 -7.5527 -7.5501 -7.5501 -7.1032 -7.1032 -7.0991 -7.0991 -5.9509 -5.9508 -5.9490 -5.9490 -4.9170 -4.9169 -4.9129 -4.9128 -4.3574 -4.3573 -4.3513 -4.3512 -3.6694 -3.6693 -3.6626 -3.6625 -1.1658 -1.1657 -1.1616 -1.1615 -0.8104 -0.8104 -0.8036 -0.8036 -0.5290 -0.5289 -0.5267 -0.5266 -0.0568 -0.0568 -0.0501 -0.0500 4.9845 4.9845 4.9875 4.9875 5.4794 5.4794 5.4841 5.4841 8.7314 8.7314 8.7327 8.7328 k = 0.1923 0.5000-0.0000 ( 4824 PWs) bands (ev): -21.7463 -21.7463 -21.7463 -21.7463 -21.5968 -21.5968 -21.5968 -21.5967 -16.1773 -16.1773 -16.1772 -16.1772 -15.6955 -15.6955 -15.6954 -15.6953 -7.5486 -7.5486 -7.5459 -7.5459 -7.1088 -7.1087 -7.1047 -7.1047 -5.9433 -5.9432 -5.9414 -5.9414 -4.9388 -4.9388 -4.9347 -4.9347 -4.3557 -4.3556 -4.3497 -4.3496 -3.6759 -3.6759 -3.6693 -3.6693 -1.1557 -1.1557 -1.1513 -1.1513 -0.8024 -0.8024 -0.7955 -0.7955 -0.5119 -0.5118 -0.5095 -0.5094 -0.0628 -0.0628 -0.0559 -0.0559 4.9938 4.9938 4.9968 4.9968 5.4783 5.4783 5.4828 5.4828 8.7450 8.7450 8.7463 8.7464 k = 0.2051 0.5000-0.0000 ( 4824 PWs) bands (ev): -21.7430 -21.7430 -21.7430 -21.7430 -21.5976 -21.5976 -21.5976 -21.5976 -16.1731 -16.1731 -16.1730 -16.1730 -15.7051 -15.7051 -15.7049 -15.7049 -7.5440 -7.5440 -7.5413 -7.5413 -7.1147 -7.1147 -7.1107 -7.1107 -5.9353 -5.9353 -5.9335 -5.9335 -4.9611 -4.9611 -4.9570 -4.9569 -4.3539 -4.3539 -4.3481 -4.3480 -3.6831 -3.6831 -3.6767 -3.6766 -1.1449 -1.1449 -1.1403 -1.1403 -0.7942 -0.7942 -0.7873 -0.7873 -0.4944 -0.4943 -0.4920 -0.4919 -0.0690 -0.0690 -0.0621 -0.0621 5.0037 5.0038 5.0068 5.0068 5.4770 5.4770 5.4814 5.4814 8.7596 8.7596 8.7609 8.7609 k = 0.2179 0.5000-0.0000 ( 4816 PWs) bands (ev): -21.7396 -21.7395 -21.7395 -21.7395 -21.5985 -21.5985 -21.5985 -21.5985 -16.1686 -16.1686 -16.1684 -16.1684 -15.7151 -15.7151 -15.7150 -15.7150 -7.5391 -7.5391 -7.5363 -7.5363 -7.1210 -7.1210 -7.1171 -7.1171 -5.9270 -5.9270 -5.9253 -5.9253 -4.9837 -4.9836 -4.9796 -4.9795 -4.3521 -4.3520 -4.3464 -4.3463 -3.6908 -3.6908 -3.6846 -3.6845 -1.1334 -1.1334 -1.1287 -1.1286 -0.7859 -0.7859 -0.7790 -0.7790 -0.4768 -0.4767 -0.4743 -0.4742 -0.0755 -0.0755 -0.0685 -0.0685 5.0143 5.0144 5.0174 5.0175 5.4755 5.4755 5.4798 5.4798 8.7752 8.7752 8.7765 8.7765 k = 0.2308 0.5000-0.0000 ( 4820 PWs) bands (ev): -21.7360 -21.7360 -21.7359 -21.7359 -21.5995 -21.5995 -21.5995 -21.5995 -16.1638 -16.1637 -16.1636 -16.1636 -15.7256 -15.7256 -15.7254 -15.7254 -7.5338 -7.5337 -7.5309 -7.5309 -7.1277 -7.1277 -7.1238 -7.1238 -5.9185 -5.9185 -5.9169 -5.9169 -5.0064 -5.0063 -5.0023 -5.0023 -4.3502 -4.3501 -4.3446 -4.3445 -3.6991 -3.6990 -3.6930 -3.6930 -1.1213 -1.1212 -1.1163 -1.1163 -0.7777 -0.7776 -0.7708 -0.7708 -0.4592 -0.4591 -0.4567 -0.4566 -0.0822 -0.0822 -0.0751 -0.0751 5.0256 5.0256 5.0287 5.0287 5.4738 5.4738 5.4780 5.4780 8.7918 8.7918 8.7931 8.7931 k = 0.2436 0.5000-0.0000 ( 4822 PWs) bands (ev): -21.7323 -21.7322 -21.7322 -21.7322 -21.6006 -21.6006 -21.6006 -21.6005 -16.1586 -16.1586 -16.1585 -16.1585 -15.7364 -15.7364 -15.7362 -15.7362 -7.5281 -7.5280 -7.5252 -7.5251 -7.1348 -7.1347 -7.1309 -7.1309 -5.9098 -5.9097 -5.9082 -5.9082 -5.0292 -5.0291 -5.0251 -5.0251 -4.3482 -4.3481 -4.3428 -4.3427 -3.7078 -3.7078 -3.7020 -3.7020 -1.1084 -1.1084 -1.1033 -1.1033 -0.7696 -0.7696 -0.7627 -0.7627 -0.4416 -0.4415 -0.4390 -0.4389 -0.0891 -0.0891 -0.0819 -0.0819 5.0374 5.0374 5.0405 5.0406 5.4718 5.4719 5.4759 5.4760 8.8093 8.8093 8.8106 8.8106 k = 0.2564 0.5000-0.0000 ( 4822 PWs) bands (ev): -21.7284 -21.7284 -21.7284 -21.7284 -21.6018 -21.6018 -21.6018 -21.6017 -16.1531 -16.1531 -16.1530 -16.1530 -15.7475 -15.7475 -15.7474 -15.7474 -7.5219 -7.5219 -7.5190 -7.5190 -7.1422 -7.1421 -7.1384 -7.1384 -5.9008 -5.9008 -5.8993 -5.8993 -5.0518 -5.0518 -5.0478 -5.0478 -4.3461 -4.3460 -4.3408 -4.3407 -3.7171 -3.7170 -3.7114 -3.7114 -1.0950 -1.0950 -1.0897 -1.0897 -0.7618 -0.7618 -0.7549 -0.7548 -0.4242 -0.4241 -0.4216 -0.4215 -0.0962 -0.0961 -0.0889 -0.0889 5.0498 5.0498 5.0530 5.0530 5.4696 5.4697 5.4736 5.4736 8.8279 8.8279 8.8291 8.8292 k = 0.2692 0.5000-0.0000 ( 4822 PWs) bands (ev): -21.7245 -21.7245 -21.7245 -21.7245 -21.6031 -21.6031 -21.6031 -21.6030 -16.1474 -16.1473 -16.1472 -16.1472 -15.7590 -15.7590 -15.7588 -15.7588 -7.5155 -7.5154 -7.5125 -7.5125 -7.1499 -7.1499 -7.1462 -7.1462 -5.8917 -5.8917 -5.8903 -5.8903 -5.0743 -5.0743 -5.0704 -5.0703 -4.3438 -4.3438 -4.3388 -4.3387 -3.7267 -3.7267 -3.7213 -3.7212 -1.0809 -1.0809 -1.0756 -1.0755 -0.7544 -0.7544 -0.7474 -0.7474 -0.4070 -0.4069 -0.4044 -0.4043 -0.1033 -0.1032 -0.0959 -0.0959 5.0628 5.0628 5.0660 5.0660 5.4671 5.4671 5.4710 5.4710 8.8474 8.8474 8.8486 8.8486 k = 0.2821 0.5000-0.0000 ( 4838 PWs) bands (ev): -21.7205 -21.7205 -21.7205 -21.7205 -21.6045 -21.6045 -21.6045 -21.6045 -16.1412 -16.1412 -16.1411 -16.1411 -15.7707 -15.7707 -15.7706 -15.7706 -7.5086 -7.5085 -7.5056 -7.5056 -7.1580 -7.1580 -7.1544 -7.1544 -5.8825 -5.8825 -5.8812 -5.8812 -5.0965 -5.0964 -5.0926 -5.0926 -4.3415 -4.3414 -4.3366 -4.3365 -3.7367 -3.7366 -3.7315 -3.7314 -1.0664 -1.0663 -1.0608 -1.0608 -0.7476 -0.7475 -0.7405 -0.7405 -0.3902 -0.3901 -0.3875 -0.3874 -0.1104 -0.1104 -0.1030 -0.1030 5.0763 5.0763 5.0795 5.0795 5.4642 5.4643 5.4680 5.4680 8.8678 8.8678 8.8690 8.8691 k = 0.2949 0.5000-0.0000 ( 4838 PWs) bands (ev): -21.7164 -21.7164 -21.7164 -21.7164 -21.6061 -21.6060 -21.6060 -21.6060 -16.1348 -16.1348 -16.1346 -16.1346 -15.7827 -15.7827 -15.7826 -15.7825 -7.5013 -7.5013 -7.4983 -7.4982 -7.1665 -7.1664 -7.1629 -7.1628 -5.8733 -5.8733 -5.8721 -5.8721 -5.1182 -5.1181 -5.1144 -5.1144 -4.3389 -4.3388 -4.3342 -4.3341 -3.7470 -3.7469 -3.7419 -3.7419 -1.0513 -1.0513 -1.0456 -1.0456 -0.7413 -0.7413 -0.7342 -0.7342 -0.3739 -0.3738 -0.3711 -0.3710 -0.1176 -0.1176 -0.1101 -0.1101 5.0903 5.0903 5.0935 5.0936 5.4610 5.4611 5.4647 5.4647 8.8892 8.8892 8.8904 8.8904 k = 0.3077 0.5000-0.0000 ( 4834 PWs) bands (ev): -21.7123 -21.7123 -21.7123 -21.7122 -21.6077 -21.6077 -21.6077 -21.6076 -16.1280 -16.1280 -16.1278 -16.1278 -15.7949 -15.7949 -15.7947 -15.7947 -7.4936 -7.4936 -7.4906 -7.4906 -7.1752 -7.1752 -7.1716 -7.1716 -5.8641 -5.8641 -5.8630 -5.8629 -5.1394 -5.1393 -5.1357 -5.1357 -4.3362 -4.3361 -4.3317 -4.3316 -3.7574 -3.7574 -3.7526 -3.7526 -1.0358 -1.0357 -1.0300 -1.0300 -0.7358 -0.7358 -0.7287 -0.7286 -0.3581 -0.3580 -0.3552 -0.3551 -0.1246 -0.1246 -0.1171 -0.1171 5.1047 5.1048 5.1080 5.1080 5.4574 5.4574 5.4610 5.4610 8.9114 8.9114 8.9126 8.9126 k = 0.3205 0.5000-0.0000 ( 4828 PWs) bands (ev): -21.7081 -21.7081 -21.7081 -21.7080 -21.6095 -21.6095 -21.6094 -21.6094 -16.1209 -16.1209 -16.1207 -16.1207 -15.8073 -15.8072 -15.8071 -15.8071 -7.4856 -7.4856 -7.4826 -7.4825 -7.1842 -7.1842 -7.1807 -7.1807 -5.8550 -5.8550 -5.8539 -5.8539 -5.1600 -5.1599 -5.1564 -5.1563 -4.3334 -4.3333 -4.3291 -4.3290 -3.7680 -3.7679 -3.7634 -3.7634 -1.0198 -1.0198 -1.0140 -1.0139 -0.7312 -0.7311 -0.7240 -0.7239 -0.3428 -0.3428 -0.3399 -0.3398 -0.1316 -0.1316 -0.1240 -0.1240 5.1196 5.1196 5.1228 5.1228 5.4533 5.4534 5.4568 5.4568 8.9344 8.9344 8.9356 8.9356 k = 0.3333 0.5000-0.0000 ( 4824 PWs) bands (ev): -21.7039 -21.7039 -21.7038 -21.7038 -21.6114 -21.6113 -21.6113 -21.6113 -16.1134 -16.1134 -16.1133 -16.1132 -15.8197 -15.8197 -15.8196 -15.8195 -7.4772 -7.4772 -7.4742 -7.4741 -7.1935 -7.1935 -7.1901 -7.1901 -5.8460 -5.8460 -5.8450 -5.8450 -5.1798 -5.1797 -5.1763 -5.1763 -4.3304 -4.3304 -4.3264 -4.3263 -3.7786 -3.7785 -3.7742 -3.7742 -1.0036 -1.0036 -0.9977 -0.9976 -0.7275 -0.7274 -0.7202 -0.7202 -0.3283 -0.3282 -0.3252 -0.3251 -0.1383 -0.1383 -0.1307 -0.1307 5.1347 5.1347 5.1379 5.1380 5.4488 5.4488 5.4521 5.4522 8.9581 8.9581 8.9593 8.9593 k = 0.3462 0.5000-0.0000 ( 4828 PWs) bands (ev): -21.6996 -21.6996 -21.6996 -21.6996 -21.6134 -21.6134 -21.6133 -21.6133 -16.1057 -16.1056 -16.1055 -16.1055 -15.8323 -15.8323 -15.8322 -15.8321 -7.4685 -7.4685 -7.4654 -7.4654 -7.2031 -7.2031 -7.1997 -7.1997 -5.8372 -5.8372 -5.8362 -5.8362 -5.1987 -5.1986 -5.1954 -5.1953 -4.3274 -4.3273 -4.3235 -4.3234 -3.7891 -3.7891 -3.7850 -3.7850 -0.9872 -0.9871 -0.9811 -0.9811 -0.7248 -0.7248 -0.7175 -0.7175 -0.3145 -0.3145 -0.3113 -0.3112 -0.1448 -0.1448 -0.1373 -0.1372 5.1501 5.1501 5.1533 5.1533 5.4437 5.4437 5.4470 5.4470 8.9824 8.9824 8.9835 8.9835 k = 0.3590 0.5000-0.0000 ( 4830 PWs) bands (ev): -21.6954 -21.6954 -21.6954 -21.6953 -21.6155 -21.6155 -21.6155 -21.6154 -16.0976 -16.0975 -16.0974 -16.0974 -15.8450 -15.8450 -15.8448 -15.8448 -7.4595 -7.4594 -7.4564 -7.4564 -7.2129 -7.2129 -7.2096 -7.2096 -5.8286 -5.8286 -5.8278 -5.8278 -5.2167 -5.2166 -5.2136 -5.2135 -4.3242 -4.3241 -4.3206 -4.3205 -3.7994 -3.7994 -3.7956 -3.7955 -0.9706 -0.9705 -0.9644 -0.9644 -0.7232 -0.7232 -0.7159 -0.7159 -0.3016 -0.3015 -0.2982 -0.2981 -0.1511 -0.1510 -0.1435 -0.1435 5.1657 5.1657 5.1689 5.1689 5.4381 5.4381 5.4413 5.4413 9.0071 9.0071 9.0082 9.0082 k = 0.3718 0.5000-0.0000 ( 4830 PWs) bands (ev): -21.6912 -21.6911 -21.6911 -21.6911 -21.6178 -21.6178 -21.6177 -21.6177 -16.0892 -16.0891 -16.0890 -16.0890 -15.8577 -15.8576 -15.8575 -15.8575 -7.4502 -7.4501 -7.4471 -7.4471 -7.2229 -7.2229 -7.2197 -7.2196 -5.8204 -5.8204 -5.8196 -5.8196 -5.2337 -5.2336 -5.2307 -5.2306 -4.3210 -4.3209 -4.3177 -4.3176 -3.8094 -3.8094 -3.8059 -3.8058 -0.9539 -0.9539 -0.9477 -0.9477 -0.7229 -0.7228 -0.7155 -0.7155 -0.2895 -0.2894 -0.2860 -0.2859 -0.1569 -0.1569 -0.1494 -0.1494 5.1814 5.1814 5.1846 5.1846 5.4319 5.4319 5.4350 5.4351 9.0321 9.0321 9.0332 9.0332 k = 0.3846 0.5000-0.0000 ( 4826 PWs) bands (ev): -21.6870 -21.6869 -21.6869 -21.6869 -21.6202 -21.6201 -21.6201 -21.6201 -16.0804 -16.0804 -16.0803 -16.0802 -15.8703 -15.8703 -15.8701 -15.8701 -7.4406 -7.4406 -7.4375 -7.4375 -7.2331 -7.2331 -7.2299 -7.2299 -5.8126 -5.8126 -5.8119 -5.8119 -5.2494 -5.2493 -5.2466 -5.2466 -4.3178 -4.3177 -4.3147 -4.3146 -3.8190 -3.8190 -3.8157 -3.8157 -0.9372 -0.9372 -0.9310 -0.9309 -0.7237 -0.7236 -0.7164 -0.7163 -0.2783 -0.2782 -0.2746 -0.2745 -0.1624 -0.1624 -0.1550 -0.1550 5.1971 5.1971 5.2003 5.2003 5.4251 5.4251 5.4282 5.4282 9.0570 9.0570 9.0581 9.0581 k = 0.3974 0.5000-0.0000 ( 4820 PWs) bands (ev): -21.6828 -21.6828 -21.6827 -21.6827 -21.6226 -21.6226 -21.6226 -21.6226 -16.0714 -16.0714 -16.0713 -16.0712 -15.8829 -15.8829 -15.8827 -15.8827 -7.4308 -7.4308 -7.4278 -7.4277 -7.2435 -7.2434 -7.2403 -7.2402 -5.8053 -5.8053 -5.8046 -5.8046 -5.2639 -5.2638 -5.2613 -5.2612 -4.3146 -4.3145 -4.3118 -4.3117 -3.8280 -3.8280 -3.8250 -3.8250 -0.9207 -0.9206 -0.9144 -0.9143 -0.7257 -0.7257 -0.7184 -0.7184 -0.2680 -0.2680 -0.2642 -0.2641 -0.1675 -0.1674 -0.1602 -0.1602 5.2128 5.2128 5.2160 5.2160 5.4177 5.4178 5.4207 5.4208 9.0817 9.0817 9.0827 9.0827 k = 0.4103 0.5000-0.0000 ( 4816 PWs) bands (ev): -21.6787 -21.6787 -21.6787 -21.6786 -21.6252 -21.6252 -21.6252 -21.6251 -16.0622 -16.0621 -16.0620 -16.0620 -15.8954 -15.8954 -15.8952 -15.8952 -7.4209 -7.4208 -7.4179 -7.4178 -7.2539 -7.2538 -7.2507 -7.2507 -5.7986 -5.7985 -5.7979 -5.7979 -5.2770 -5.2769 -5.2747 -5.2746 -4.3116 -4.3115 -4.3091 -4.3090 -3.8364 -3.8363 -3.8337 -3.8336 -0.9044 -0.9043 -0.8981 -0.8980 -0.7289 -0.7289 -0.7218 -0.7217 -0.2588 -0.2587 -0.2548 -0.2547 -0.1721 -0.1720 -0.1650 -0.1650 5.2284 5.2284 5.2315 5.2315 5.4097 5.4097 5.4127 5.4127 9.1057 9.1057 9.1067 9.1067 k = 0.4231 0.5000-0.0000 ( 4828 PWs) bands (ev): -21.6747 -21.6747 -21.6747 -21.6746 -21.6279 -21.6279 -21.6279 -21.6278 -16.0527 -16.0527 -16.0525 -16.0525 -15.9078 -15.9077 -15.9076 -15.9075 -7.4109 -7.4108 -7.4079 -7.4078 -7.2643 -7.2642 -7.2612 -7.2612 -5.7925 -5.7925 -5.7919 -5.7919 -5.2886 -5.2885 -5.2865 -5.2864 -4.3087 -4.3086 -4.3065 -4.3064 -3.8439 -3.8439 -3.8416 -3.8415 -0.8885 -0.8884 -0.8822 -0.8821 -0.7333 -0.7333 -0.7263 -0.7263 -0.2505 -0.2504 -0.2464 -0.2463 -0.1762 -0.1761 -0.1694 -0.1694 5.2438 5.2438 5.2468 5.2469 5.4010 5.4011 5.4040 5.4040 9.1285 9.1285 9.1294 9.1294 k = 0.4359 0.5000-0.0000 ( 4824 PWs) bands (ev): -21.6708 -21.6708 -21.6708 -21.6707 -21.6307 -21.6306 -21.6306 -21.6306 -16.0431 -16.0430 -16.0429 -16.0428 -15.9198 -15.9198 -15.9197 -15.9196 -7.4008 -7.4008 -7.3980 -7.3979 -7.2746 -7.2745 -7.2716 -7.2716 -5.7871 -5.7871 -5.7866 -5.7866 -5.2986 -5.2985 -5.2968 -5.2967 -4.3061 -4.3060 -4.3043 -4.3041 -3.8505 -3.8504 -3.8485 -3.8484 -0.8731 -0.8730 -0.8668 -0.8668 -0.7388 -0.7388 -0.7319 -0.7319 -0.2432 -0.2431 -0.2392 -0.2391 -0.1797 -0.1797 -0.1734 -0.1734 5.2588 5.2589 5.2618 5.2619 5.3919 5.3919 5.3947 5.3948 9.1495 9.1496 9.1504 9.1504 k = 0.4487 0.5000-0.0000 ( 4828 PWs) bands (ev): -21.6672 -21.6671 -21.6671 -21.6670 -21.6334 -21.6334 -21.6333 -21.6333 -16.0334 -16.0333 -16.0332 -16.0331 -15.9316 -15.9315 -15.9314 -15.9313 -7.3910 -7.3910 -7.3883 -7.3882 -7.2846 -7.2845 -7.2818 -7.2817 -5.7826 -5.7826 -5.7822 -5.7822 -5.3069 -5.3068 -5.3055 -5.3054 -4.3038 -4.3037 -4.3023 -4.3022 -3.8560 -3.8560 -3.8544 -3.8543 -0.8584 -0.8584 -0.8524 -0.8523 -0.7451 -0.7451 -0.7385 -0.7385 -0.2370 -0.2369 -0.2331 -0.2330 -0.1827 -0.1827 -0.1770 -0.1770 5.2735 5.2735 5.2764 5.2764 5.3821 5.3822 5.3849 5.3850 9.1682 9.1683 9.1690 9.1690 k = 0.4615 0.5000-0.0000 ( 4828 PWs) bands (ev): -21.6637 -21.6637 -21.6637 -21.6636 -21.6361 -21.6361 -21.6360 -21.6360 -16.0238 -16.0238 -16.0237 -16.0236 -15.9427 -15.9426 -15.9425 -15.9425 -7.3816 -7.3816 -7.3791 -7.3791 -7.2940 -7.2939 -7.2914 -7.2914 -5.7790 -5.7789 -5.7786 -5.7786 -5.3134 -5.3133 -5.3123 -5.3122 -4.3019 -4.3018 -4.3007 -4.3006 -3.8604 -3.8603 -3.8592 -3.8591 -0.8449 -0.8448 -0.8393 -0.8392 -0.7518 -0.7518 -0.7458 -0.7458 -0.2318 -0.2317 -0.2284 -0.2283 -0.1850 -0.1849 -0.1801 -0.1801 5.2875 5.2875 5.2903 5.2903 5.3721 5.3721 5.3748 5.3748 9.1839 9.1839 9.1845 9.1845 k = 0.4744 0.5000-0.0000 ( 4836 PWs) bands (ev): -21.6608 -21.6608 -21.6607 -21.6607 -21.6386 -21.6385 -21.6384 -21.6384 -16.0149 -16.0149 -16.0148 -16.0147 -15.9527 -15.9526 -15.9526 -15.9525 -7.3732 -7.3732 -7.3712 -7.3711 -7.3021 -7.3020 -7.3000 -7.2999 -5.7763 -5.7763 -5.7761 -5.7760 -5.3181 -5.3180 -5.3173 -5.3172 -4.3004 -4.3003 -4.2996 -4.2995 -3.8636 -3.8635 -3.8627 -3.8626 -0.8330 -0.8329 -0.8282 -0.8282 -0.7582 -0.7582 -0.7532 -0.7532 -0.2277 -0.2276 -0.2251 -0.2250 -0.1864 -0.1864 -0.1828 -0.1828 5.3005 5.3005 5.3030 5.3031 5.3620 5.3621 5.3645 5.3646 9.1957 9.1957 9.1961 9.1961 k = 0.4872 0.5000-0.0000 ( 4832 PWs) bands (ev): -21.6586 -21.6586 -21.6585 -21.6585 -21.6404 -21.6404 -21.6403 -21.6402 -16.0078 -16.0077 -16.0077 -16.0076 -15.9605 -15.9604 -15.9604 -15.9603 -7.3668 -7.3667 -7.3655 -7.3654 -7.3078 -7.3077 -7.3066 -7.3065 -5.7746 -5.7746 -5.7745 -5.7745 -5.3208 -5.3207 -5.3204 -5.3203 -4.2994 -4.2993 -4.2990 -4.2989 -3.8654 -3.8653 -3.8650 -3.8649 -0.8238 -0.8237 -0.8208 -0.8207 -0.7628 -0.7628 -0.7597 -0.7597 -0.2248 -0.2247 -0.2234 -0.2233 -0.1869 -0.1869 -0.1850 -0.1849 5.3114 5.3115 5.3133 5.3134 5.3534 5.3535 5.3552 5.3553 9.2032 9.2032 9.2034 9.2034 k = 0.5000 0.5000-0.0000 ( 4840 PWs) bands (ev): -21.6578 -21.6578 -21.6577 -21.6577 -21.6411 -21.6411 -21.6410 -21.6410 -16.0048 -16.0048 -16.0047 -16.0047 -15.9637 -15.9637 -15.9636 -15.9636 -7.3638 -7.3638 -7.3637 -7.3637 -7.3096 -7.3096 -7.3095 -7.3095 -5.7741 -5.7741 -5.7740 -5.7740 -5.3216 -5.3216 -5.3215 -5.3215 -4.2990 -4.2990 -4.2988 -4.2988 -3.8659 -3.8659 -3.8658 -3.8658 -0.8192 -0.8192 -0.8190 -0.8190 -0.7635 -0.7635 -0.7635 -0.7635 -0.2233 -0.2233 -0.2232 -0.2232 -0.1864 -0.1864 -0.1863 -0.1863 5.3171 5.3171 5.3173 5.3173 5.3500 5.3500 5.3502 5.3502 9.2058 9.2058 9.2058 9.2058 k = 0.5000 0.5000-0.0000 ( 4840 PWs) bands (ev): -21.6578 -21.6578 -21.6577 -21.6577 -21.6411 -21.6411 -21.6410 -21.6410 -16.0048 -16.0048 -16.0047 -16.0047 -15.9637 -15.9637 -15.9636 -15.9636 -7.3638 -7.3638 -7.3637 -7.3637 -7.3096 -7.3096 -7.3095 -7.3095 -5.7741 -5.7741 -5.7740 -5.7740 -5.3216 -5.3216 -5.3215 -5.3215 -4.2990 -4.2990 -4.2988 -4.2988 -3.8659 -3.8659 -3.8658 -3.8658 -0.8192 -0.8192 -0.8190 -0.8190 -0.7635 -0.7635 -0.7635 -0.7635 -0.2233 -0.2233 -0.2232 -0.2232 -0.1864 -0.1864 -0.1863 -0.1863 5.3171 5.3171 5.3173 5.3173 5.3500 5.3500 5.3502 5.3502 9.2058 9.2058 9.2058 9.2058 k = 0.4909 0.4909-0.0000 ( 4836 PWs) bands (ev): -21.6594 -21.6594 -21.6576 -21.6576 -21.6412 -21.6412 -21.6396 -21.6395 -16.0105 -16.0104 -16.0046 -16.0046 -15.9635 -15.9635 -15.9578 -15.9576 -7.3689 -7.3674 -7.3639 -7.3639 -7.3098 -7.3097 -7.3055 -7.3040 -5.7755 -5.7754 -5.7738 -5.7737 -5.3215 -5.3214 -5.3199 -5.3194 -4.3001 -4.2998 -4.2984 -4.2983 -3.8661 -3.8657 -3.8646 -3.8642 -0.8265 -0.8227 -0.8198 -0.8197 -0.7648 -0.7643 -0.7602 -0.7562 -0.2253 -0.2243 -0.2235 -0.2230 -0.1870 -0.1870 -0.1852 -0.1845 5.3083 5.3104 5.3160 5.3160 5.3503 5.3504 5.3567 5.3589 9.1990 9.1993 9.2074 9.2074 k = 0.4818 0.4818-0.0000 ( 4838 PWs) bands (ev): -21.6633 -21.6633 -21.6576 -21.6576 -21.6413 -21.6413 -21.6363 -21.6362 -16.0228 -16.0226 -16.0042 -16.0042 -15.9632 -15.9632 -15.9448 -15.9447 -7.3796 -7.3772 -7.3643 -7.3643 -7.3103 -7.3101 -7.2946 -7.2924 -5.7797 -5.7795 -5.7728 -5.7726 -5.3214 -5.3213 -5.3145 -5.3134 -4.3032 -4.3027 -4.2970 -4.2968 -3.8663 -3.8656 -3.8607 -3.8599 -0.8401 -0.8346 -0.8218 -0.8217 -0.7682 -0.7670 -0.7488 -0.7430 -0.2295 -0.2276 -0.2245 -0.2236 -0.1874 -0.1869 -0.1829 -0.1815 5.2929 5.2955 5.3124 5.3125 5.3509 5.3511 5.3712 5.3739 9.1798 9.1803 9.2121 9.2122 k = 0.4727 0.4727-0.0000 ( 4834 PWs) bands (ev): -21.6683 -21.6682 -21.6575 -21.6575 -21.6415 -21.6415 -21.6323 -21.6322 -16.0370 -16.0368 -16.0035 -16.0035 -15.9627 -15.9627 -15.9296 -15.9294 -7.3922 -7.3896 -7.3650 -7.3649 -7.3110 -7.3107 -7.2805 -7.2780 -5.7864 -5.7861 -5.7712 -5.7709 -5.3212 -5.3211 -5.3054 -5.3039 -4.3081 -4.3074 -4.2947 -4.2943 -3.8666 -3.8655 -3.8543 -3.8530 -0.8561 -0.8501 -0.8251 -0.8249 -0.7734 -0.7717 -0.7342 -0.7276 -0.2356 -0.2331 -0.2260 -0.2247 -0.1877 -0.1867 -0.1795 -0.1774 5.2760 5.2787 5.3065 5.3066 5.3519 5.3522 5.3872 5.3901 9.1498 9.1505 9.2200 9.2201 k = 0.4636 0.4636-0.0000 ( 4830 PWs) bands (ev): -21.6739 -21.6738 -21.6574 -21.6574 -21.6418 -21.6418 -21.6280 -21.6279 -16.0516 -16.0514 -16.0026 -16.0026 -15.9620 -15.9620 -15.9134 -15.9132 -7.4055 -7.4027 -7.3659 -7.3658 -7.3121 -7.3117 -7.2650 -7.2624 -5.7954 -5.7951 -5.7690 -5.7685 -5.3209 -5.3208 -5.2930 -5.2910 -4.3145 -4.3137 -4.2914 -4.2909 -3.8670 -3.8656 -3.8457 -3.8440 -0.8733 -0.8670 -0.8297 -0.8295 -0.7805 -0.7782 -0.7184 -0.7114 -0.2433 -0.2405 -0.2281 -0.2263 -0.1880 -0.1865 -0.1751 -0.1727 5.2587 5.2614 5.2983 5.2985 5.3534 5.3537 5.4034 5.4064 9.1113 9.1120 9.2309 9.2310 k = 0.4545 0.4545-0.0000 ( 4832 PWs) bands (ev): -21.6799 -21.6799 -21.6573 -21.6573 -21.6421 -21.6421 -21.6236 -21.6235 -16.0662 -16.0660 -16.0013 -16.0013 -15.9612 -15.9611 -15.8968 -15.8967 -7.4186 -7.4157 -7.3671 -7.3670 -7.3134 -7.3129 -7.2489 -7.2462 -5.8064 -5.8060 -5.7660 -5.7655 -5.3206 -5.3205 -5.2775 -5.2752 -4.3221 -4.3211 -4.2872 -4.2866 -3.8674 -3.8657 -3.8351 -3.8331 -0.8910 -0.8847 -0.8355 -0.8352 -0.7892 -0.7864 -0.7023 -0.6950 -0.2526 -0.2496 -0.2308 -0.2285 -0.1883 -0.1864 -0.1700 -0.1673 5.2415 5.2442 5.2880 5.2883 5.3552 5.3556 5.4194 5.4225 9.0663 9.0671 9.2446 9.2447 k = 0.4455 0.4455-0.0000 ( 4832 PWs) bands (ev): -21.6863 -21.6863 -21.6572 -21.6572 -21.6426 -21.6426 -21.6191 -21.6190 -16.0805 -16.0803 -15.9998 -15.9998 -15.9601 -15.9601 -15.8801 -15.8799 -7.4314 -7.4285 -7.3685 -7.3684 -7.3150 -7.3144 -7.2324 -7.2297 -5.8190 -5.8187 -5.7625 -5.7618 -5.3201 -5.3200 -5.2595 -5.2567 -4.3306 -4.3296 -4.2820 -4.2813 -3.8680 -3.8659 -3.8231 -3.8208 -0.9090 -0.9027 -0.8424 -0.8419 -0.7995 -0.7961 -0.6861 -0.6786 -0.2634 -0.2603 -0.2340 -0.2312 -0.1886 -0.1863 -0.1645 -0.1616 5.2245 5.2271 5.2757 5.2760 5.3574 5.3579 5.4351 5.4381 9.0167 9.0175 9.2610 9.2611 k = 0.4364 0.4364-0.0000 ( 4826 PWs) bands (ev): -21.6931 -21.6931 -21.6572 -21.6572 -21.6431 -21.6431 -21.6146 -21.6145 -16.0945 -16.0943 -15.9981 -15.9981 -15.9588 -15.9588 -15.8632 -15.8630 -7.4437 -7.4407 -7.3702 -7.3701 -7.3168 -7.3161 -7.2158 -7.2131 -5.8330 -5.8327 -5.7582 -5.7575 -5.3195 -5.3194 -5.2390 -5.2360 -4.3397 -4.3386 -4.2759 -4.2751 -3.8686 -3.8662 -3.8099 -3.8073 -0.9272 -0.9210 -0.8503 -0.8497 -0.8112 -0.8073 -0.6700 -0.6624 -0.2756 -0.2725 -0.2377 -0.2344 -0.1890 -0.1863 -0.1587 -0.1556 5.2078 5.2104 5.2616 5.2619 5.3600 5.3606 5.4502 5.4533 8.9638 8.9646 9.2797 9.2799 k = 0.4273 0.4273-0.0000 ( 4820 PWs) bands (ev): -21.7002 -21.7002 -21.6571 -21.6571 -21.6437 -21.6437 -21.6100 -21.6099 -16.1081 -16.1079 -15.9961 -15.9961 -15.9574 -15.9574 -15.8464 -15.8462 -7.4552 -7.4522 -7.3721 -7.3720 -7.3188 -7.3180 -7.1992 -7.1966 -5.8480 -5.8478 -5.7533 -5.7525 -5.3188 -5.3186 -5.2166 -5.2132 -4.3491 -4.3479 -4.2690 -4.2680 -3.8694 -3.8667 -3.7960 -3.7931 -0.9456 -0.9395 -0.8591 -0.8582 -0.8240 -0.8196 -0.6541 -0.6464 -0.2894 -0.2862 -0.2420 -0.2381 -0.1894 -0.1864 -0.1527 -0.1495 5.1917 5.1942 5.2457 5.2461 5.3629 5.3636 5.4647 5.4678 8.9086 8.9094 9.3006 9.3008 k = 0.4182 0.4182-0.0000 ( 4824 PWs) bands (ev): -21.7077 -21.7076 -21.6571 -21.6571 -21.6444 -21.6444 -21.6053 -21.6053 -16.1212 -16.1210 -15.9939 -15.9939 -15.9559 -15.9558 -15.8297 -15.8295 -7.4661 -7.4630 -7.3742 -7.3741 -7.3210 -7.3201 -7.1828 -7.1802 -5.8639 -5.8638 -5.7478 -5.7468 -5.3179 -5.3177 -5.1923 -5.1887 -4.3586 -4.3573 -4.2612 -4.2601 -3.8704 -3.8673 -3.7816 -3.7785 -0.9641 -0.9581 -0.8685 -0.8675 -0.8379 -0.8330 -0.6385 -0.6306 -0.3045 -0.3014 -0.2468 -0.2423 -0.1900 -0.1867 -0.1467 -0.1434 5.1761 5.1786 5.2283 5.2287 5.3662 5.3669 5.4786 5.4817 8.8520 8.8527 9.3231 9.3234 k = 0.4091 0.4091-0.0000 ( 4826 PWs) bands (ev): -21.7154 -21.7154 -21.6572 -21.6572 -21.6451 -21.6451 -21.6005 -21.6005 -16.1337 -16.1336 -15.9915 -15.9915 -15.9541 -15.9541 -15.8131 -15.8129 -7.4761 -7.4730 -7.3765 -7.3764 -7.3233 -7.3224 -7.1667 -7.1641 -5.8805 -5.8805 -5.7416 -5.7406 -5.3168 -5.3166 -5.1665 -5.1626 -4.3679 -4.3665 -4.2526 -4.2514 -3.8716 -3.8682 -3.7672 -3.7638 -0.9828 -0.9769 -0.8786 -0.8773 -0.8527 -0.8472 -0.6231 -0.6151 -0.3210 -0.3179 -0.2520 -0.2470 -0.1907 -0.1871 -0.1409 -0.1375 5.1612 5.1636 5.2096 5.2100 5.3697 5.3706 5.4919 5.4949 8.7945 8.7952 9.3471 9.3474 k = 0.4000 0.4000-0.0000 ( 4834 PWs) bands (ev): -21.7235 -21.7235 -21.6573 -21.6573 -21.6460 -21.6460 -21.5957 -21.5956 -16.1457 -16.1455 -15.9889 -15.9889 -15.9522 -15.9522 -15.7967 -15.7965 -7.4852 -7.4822 -7.3790 -7.3789 -7.3259 -7.3248 -7.1508 -7.1482 -5.8978 -5.8977 -5.7349 -5.7337 -5.3156 -5.3153 -5.1393 -5.1352 -4.3768 -4.3754 -4.2432 -4.2419 -3.8730 -3.8693 -3.7529 -3.7493 -1.0016 -0.9959 -0.8891 -0.8875 -0.8682 -0.8622 -0.6080 -0.5999 -0.3388 -0.3357 -0.2576 -0.2520 -0.1915 -0.1877 -0.1354 -0.1318 5.1471 5.1494 5.1898 5.1902 5.3735 5.3744 5.5044 5.5075 8.7365 8.7371 9.3720 9.3723 k = 0.3909 0.3909-0.0000 ( 4832 PWs) bands (ev): -21.7319 -21.7319 -21.6575 -21.6575 -21.6469 -21.6469 -21.5906 -21.5906 -16.1571 -16.1569 -15.9861 -15.9861 -15.9502 -15.9502 -15.7805 -15.7803 -7.4935 -7.4904 -7.3817 -7.3816 -7.3285 -7.3274 -7.1353 -7.1328 -5.9155 -5.9153 -5.7275 -5.7262 -5.3141 -5.3139 -5.1109 -5.1066 -4.3852 -4.3838 -4.2331 -4.2317 -3.8746 -3.8706 -3.7390 -3.7352 -1.0205 -1.0150 -0.9000 -0.8980 -0.8843 -0.8778 -0.5932 -0.5850 -0.3579 -0.3547 -0.2635 -0.2574 -0.1925 -0.1884 -0.1303 -0.1264 5.1339 5.1362 5.1690 5.1695 5.3776 5.3786 5.5162 5.5193 8.6783 8.6788 9.3974 9.3978 k = 0.3818 0.3818-0.0000 ( 4840 PWs) bands (ev): -21.7406 -21.7406 -21.6579 -21.6578 -21.6479 -21.6479 -21.5855 -21.5854 -16.1678 -16.1677 -15.9832 -15.9832 -15.9480 -15.9480 -15.7646 -15.7644 -7.5008 -7.4977 -7.3845 -7.3844 -7.3313 -7.3301 -7.1202 -7.1178 -5.9335 -5.9333 -5.7195 -5.7181 -5.3125 -5.3122 -5.0815 -5.0769 -4.3930 -4.3916 -4.2223 -4.2208 -3.8764 -3.8722 -3.7257 -3.7218 -1.0397 -1.0344 -0.9110 -0.9086 -0.9010 -0.8939 -0.5787 -0.5704 -0.3781 -0.3750 -0.2698 -0.2631 -0.1937 -0.1894 -0.1256 -0.1216 5.1216 5.1238 5.1476 5.1482 5.3819 5.3830 5.5272 5.5303 8.6201 8.6205 9.4227 9.4231 k = 0.3727 0.3727-0.0000 ( 4836 PWs) bands (ev): -21.7496 -21.7495 -21.6583 -21.6582 -21.6489 -21.6489 -21.5801 -21.5801 -16.1779 -16.1777 -15.9801 -15.9801 -15.9457 -15.9457 -15.7490 -15.7488 -7.5071 -7.5040 -7.3874 -7.3873 -7.3340 -7.3328 -7.1056 -7.1032 -5.9518 -5.9514 -5.7110 -5.7094 -5.3106 -5.3103 -5.0511 -5.0463 -4.4001 -4.3986 -4.2109 -4.2093 -3.8786 -3.8741 -3.7133 -3.7092 -1.0590 -1.0540 -0.9224 -0.9196 -0.9176 -0.9102 -0.5645 -0.5561 -0.3993 -0.3962 -0.2762 -0.2690 -0.1950 -0.1905 -0.1215 -0.1173 5.1103 5.1124 5.1258 5.1264 5.3863 5.3875 5.5375 5.5406 8.5620 8.5624 9.4474 9.4479 k = 0.3636 0.3636-0.0000 ( 4832 PWs) bands (ev): -21.7588 -21.7587 -21.6588 -21.6588 -21.6501 -21.6501 -21.5746 -21.5746 -16.1873 -16.1871 -15.9770 -15.9770 -15.9433 -15.9433 -15.7338 -15.7336 -7.5125 -7.5094 -7.3904 -7.3903 -7.3368 -7.3356 -7.0916 -7.0892 -5.9703 -5.9698 -5.7019 -5.7002 -5.3085 -5.3081 -5.0199 -5.0150 -4.4063 -4.4049 -4.1989 -4.1973 -3.8810 -3.8762 -3.7018 -3.6975 -1.0787 -1.0738 -0.9362 -0.9346 -0.9290 -0.9259 -0.5505 -0.5420 -0.4215 -0.4185 -0.2827 -0.2751 -0.1966 -0.1919 -0.1180 -0.1136 5.1002 5.1018 5.1037 5.1048 5.3910 5.3922 5.5471 5.5501 8.5042 8.5045 9.4709 9.4715 k = 0.3545 0.3545-0.0000 ( 4832 PWs) bands (ev): -21.7682 -21.7682 -21.6594 -21.6594 -21.6513 -21.6513 -21.5690 -21.5689 -16.1959 -16.1958 -15.9737 -15.9737 -15.9407 -15.9407 -15.7190 -15.7188 -7.5168 -7.5137 -7.3934 -7.3933 -7.3397 -7.3383 -7.0781 -7.0757 -5.9889 -5.9884 -5.6922 -5.6905 -5.3061 -5.3058 -4.9880 -4.9829 -4.4117 -4.4102 -4.1865 -4.1848 -3.8836 -3.8786 -3.6914 -3.6870 -1.0985 -1.0938 -0.9542 -0.9493 -0.9392 -0.9391 -0.5368 -0.5283 -0.4445 -0.4416 -0.2894 -0.2813 -0.1983 -0.1934 -0.1151 -0.1106 5.0816 5.0821 5.0911 5.0933 5.3957 5.3970 5.5558 5.5588 8.4466 8.4469 9.4924 9.4931 k = 0.3455 0.3455-0.0000 ( 4826 PWs) bands (ev): -21.7779 -21.7779 -21.6601 -21.6601 -21.6525 -21.6525 -21.5631 -21.5631 -16.2039 -16.2037 -15.9703 -15.9703 -15.9381 -15.9381 -15.7046 -15.7045 -7.5202 -7.5171 -7.3965 -7.3964 -7.3424 -7.3411 -7.0652 -7.0629 -6.0077 -6.0070 -5.6821 -5.6802 -5.3036 -5.3032 -4.9555 -4.9502 -4.4162 -4.4147 -4.1737 -4.1719 -3.8866 -3.8814 -3.6823 -3.6777 -1.1186 -1.1141 -0.9726 -0.9663 -0.9501 -0.9487 -0.5232 -0.5151 -0.4681 -0.4656 -0.2960 -0.2875 -0.2003 -0.1951 -0.1130 -0.1082 5.0597 5.0603 5.0833 5.0854 5.4005 5.4019 5.5638 5.5669 8.3893 8.3895 9.5113 9.5120 k = 0.3364 0.3364-0.0000 ( 4822 PWs) bands (ev): -21.7878 -21.7878 -21.6609 -21.6609 -21.6538 -21.6538 -21.5571 -21.5571 -16.2110 -16.2109 -15.9669 -15.9669 -15.9354 -15.9354 -15.6908 -15.6906 -7.5225 -7.5194 -7.3996 -7.3995 -7.3452 -7.3438 -7.0529 -7.0507 -6.0264 -6.0257 -5.6714 -5.6694 -5.3008 -5.3004 -4.9224 -4.9170 -4.4198 -4.4183 -4.1606 -4.1588 -3.8899 -3.8844 -3.6744 -3.6697 -1.1388 -1.1346 -0.9913 -0.9844 -0.9600 -0.9580 -0.5099 -0.5049 -0.4903 -0.4896 -0.3026 -0.2937 -0.2024 -0.1971 -0.1115 -0.1066 5.0382 5.0388 5.0767 5.0787 5.4054 5.4068 5.5711 5.5741 8.3322 8.3323 9.5269 9.5276 k = 0.3273 0.3273-0.0000 ( 4822 PWs) bands (ev): -21.7979 -21.7978 -21.6618 -21.6618 -21.6552 -21.6552 -21.5510 -21.5509 -16.2175 -16.2173 -15.9634 -15.9634 -15.9327 -15.9326 -15.6774 -15.6772 -7.5239 -7.5208 -7.4026 -7.4025 -7.3478 -7.3464 -7.0414 -7.0392 -6.0452 -6.0444 -5.6603 -5.6582 -5.2977 -5.2973 -4.8890 -4.8834 -4.4224 -4.4209 -4.1474 -4.1455 -3.8934 -3.8877 -3.6679 -3.6631 -1.1592 -1.1551 -1.0103 -1.0030 -0.9693 -0.9668 -0.5207 -0.5157 -0.4967 -0.4859 -0.3090 -0.2997 -0.2047 -0.1992 -0.1108 -0.1057 5.0172 5.0178 5.0713 5.0732 5.4103 5.4118 5.5776 5.5806 8.2753 8.2754 9.5383 9.5392 k = 0.3182 0.3182-0.0000 ( 4826 PWs) bands (ev): -21.8081 -21.8081 -21.6629 -21.6629 -21.6567 -21.6567 -21.5447 -21.5446 -16.2231 -16.2230 -15.9600 -15.9600 -15.9298 -15.9298 -15.6646 -15.6644 -7.5242 -7.5212 -7.4056 -7.4055 -7.3504 -7.3489 -7.0305 -7.0283 -6.0640 -6.0631 -5.6487 -5.6465 -5.2945 -5.2941 -4.8552 -4.8495 -4.4241 -4.4225 -4.1341 -4.1321 -3.8971 -3.8913 -3.6628 -3.6579 -1.1797 -1.1758 -1.0297 -1.0221 -0.9780 -0.9751 -0.5459 -0.5416 -0.4837 -0.4736 -0.3151 -0.3056 -0.2071 -0.2015 -0.1108 -0.1055 4.9970 4.9977 5.0671 5.0690 5.4152 5.4168 5.5834 5.5864 8.2185 8.2186 9.5452 9.5461 k = 0.3091 0.3091-0.0000 ( 4824 PWs) bands (ev): -21.8185 -21.8184 -21.6640 -21.6640 -21.6582 -21.6582 -21.5382 -21.5382 -16.2280 -16.2278 -15.9565 -15.9565 -15.9270 -15.9270 -15.6523 -15.6521 -7.5236 -7.5206 -7.4084 -7.4083 -7.3528 -7.3513 -7.0203 -7.0182 -6.0827 -6.0817 -5.6367 -5.6344 -5.2911 -5.2907 -4.8212 -4.8153 -4.4249 -4.4233 -4.1208 -4.1188 -3.9012 -3.8951 -3.6592 -3.6541 -1.2001 -1.1963 -1.0494 -1.0415 -0.9862 -0.9831 -0.5722 -0.5681 -0.4708 -0.4608 -0.3210 -0.3112 -0.2097 -0.2039 -0.1114 -0.1059 4.9778 4.9784 5.0642 5.0660 5.4202 5.4218 5.5885 5.5915 8.1617 8.1618 9.5470 9.5479 k = 0.3000 0.3000-0.0000 ( 4828 PWs) bands (ev): -21.8289 -21.8289 -21.6652 -21.6652 -21.6598 -21.6598 -21.5317 -21.5316 -16.2321 -16.2319 -15.9530 -15.9530 -15.9241 -15.9241 -15.6406 -15.6404 -7.5221 -7.5190 -7.4110 -7.4110 -7.3550 -7.3535 -7.0109 -7.0089 -6.1014 -6.1003 -5.6243 -5.6219 -5.2876 -5.2871 -4.7870 -4.7811 -4.4247 -4.4230 -4.1077 -4.1057 -3.9054 -3.8991 -3.6570 -3.6518 -1.2204 -1.2167 -1.0693 -1.0613 -0.9940 -0.9908 -0.5991 -0.5950 -0.4581 -0.4480 -0.3265 -0.3165 -0.2124 -0.2064 -0.1127 -0.1071 4.9597 4.9603 5.0625 5.0643 5.4250 5.4267 5.5929 5.5959 8.1049 8.1050 9.5434 9.5444 k = 0.2909 0.2909-0.0000 ( 4826 PWs) bands (ev): -21.8394 -21.8394 -21.6665 -21.6664 -21.6614 -21.6614 -21.5250 -21.5249 -16.2354 -16.2352 -15.9496 -15.9496 -15.9212 -15.9212 -15.6295 -15.6293 -7.5196 -7.5166 -7.4135 -7.4135 -7.3571 -7.3556 -7.0022 -7.0002 -6.1199 -6.1187 -5.6115 -5.6090 -5.2838 -5.2833 -4.7528 -4.7467 -4.4236 -4.4219 -4.0950 -4.0930 -3.9098 -3.9033 -3.6561 -3.6509 -1.2405 -1.2369 -1.0895 -1.0813 -1.0015 -0.9981 -0.6263 -0.6222 -0.4454 -0.4353 -0.3316 -0.3214 -0.2152 -0.2091 -0.1146 -0.1088 4.9429 4.9435 5.0621 5.0639 5.4299 5.4316 5.5967 5.5997 8.0479 8.0481 9.5345 9.5355 k = 0.2818 0.2818-0.0000 ( 4830 PWs) bands (ev): -21.8500 -21.8500 -21.6678 -21.6678 -21.6631 -21.6631 -21.5182 -21.5182 -16.2379 -16.2378 -15.9462 -15.9462 -15.9183 -15.9183 -15.6190 -15.6188 -7.5163 -7.5133 -7.4157 -7.4157 -7.3590 -7.3574 -6.9943 -6.9924 -6.1382 -6.1370 -5.5983 -5.5958 -5.2800 -5.2795 -4.7186 -4.7124 -4.4216 -4.4199 -4.0826 -4.0806 -3.9143 -3.9077 -3.6567 -3.6514 -1.2602 -1.2566 -1.1099 -1.1017 -1.0087 -1.0052 -0.6539 -0.6498 -0.4329 -0.4227 -0.3362 -0.3258 -0.2181 -0.2118 -0.1171 -0.1112 4.9275 4.9281 5.0630 5.0646 5.4346 5.4364 5.5999 5.6028 7.9907 7.9909 9.5203 9.5213 k = 0.2727 0.2727-0.0000 ( 4844 PWs) bands (ev): -21.8606 -21.8606 -21.6692 -21.6692 -21.6648 -21.6648 -21.5114 -21.5113 -16.2397 -16.2395 -15.9429 -15.9429 -15.9155 -15.9155 -15.6092 -15.6090 -7.5121 -7.5091 -7.4177 -7.4177 -7.3607 -7.3591 -6.9872 -6.9853 -6.1564 -6.1552 -5.5848 -5.5822 -5.2761 -5.2755 -4.6845 -4.6782 -4.4188 -4.4170 -4.0709 -4.0689 -3.9190 -3.9122 -3.6586 -3.6532 -1.2794 -1.2759 -1.1305 -1.1222 -1.0157 -1.0122 -0.6817 -0.6776 -0.4205 -0.4101 -0.3403 -0.3298 -0.2210 -0.2145 -0.1201 -0.1141 4.9138 4.9144 5.0649 5.0666 5.4392 5.4411 5.6024 5.6053 7.9330 7.9333 9.5014 9.5024 k = 0.2636 0.2636-0.0000 ( 4844 PWs) bands (ev): -21.8712 -21.8712 -21.6707 -21.6707 -21.6665 -21.6665 -21.5045 -21.5044 -16.2407 -16.2405 -15.9396 -15.9396 -15.9127 -15.9127 -15.6001 -15.5999 -7.5072 -7.5042 -7.4193 -7.4193 -7.3621 -7.3606 -6.9808 -6.9789 -6.1744 -6.1731 -5.5710 -5.5682 -5.2720 -5.2715 -4.6506 -4.6442 -4.4151 -4.4133 -4.0599 -4.0579 -3.9238 -3.9169 -3.6617 -3.6563 -1.2980 -1.2945 -1.1513 -1.1430 -1.0226 -1.0191 -0.7097 -0.7056 -0.4082 -0.3978 -0.3439 -0.3333 -0.2238 -0.2172 -0.1236 -0.1175 4.9017 4.9023 5.0681 5.0697 5.4437 5.4456 5.6044 5.6073 7.8749 7.8752 9.4783 9.4793 k = 0.2545 0.2545-0.0000 ( 4846 PWs) bands (ev): -21.8817 -21.8817 -21.6722 -21.6722 -21.6683 -21.6683 -21.4975 -21.4975 -16.2409 -16.2407 -15.9364 -15.9364 -15.9099 -15.9099 -15.5916 -15.5914 -7.5015 -7.4985 -7.4206 -7.4206 -7.3634 -7.3618 -6.9752 -6.9734 -6.1921 -6.1908 -5.5568 -5.5540 -5.2680 -5.2674 -4.6170 -4.6105 -4.4107 -4.4088 -4.0497 -4.0478 -3.9287 -3.9216 -3.6660 -3.6606 -1.3159 -1.3124 -1.1721 -1.1638 -1.0295 -1.0260 -0.7379 -0.7337 -0.3962 -0.3856 -0.3469 -0.3362 -0.2266 -0.2198 -0.1275 -0.1213 4.8916 4.8922 5.0723 5.0739 5.4481 5.4500 5.6058 5.6087 7.8162 7.8165 9.4517 9.4527 k = 0.2455 0.2455-0.0000 ( 4850 PWs) bands (ev): -21.8922 -21.8922 -21.6737 -21.6737 -21.6701 -21.6701 -21.4905 -21.4905 -16.2404 -16.2402 -15.9334 -15.9333 -15.9073 -15.9072 -15.5837 -15.5835 -7.4951 -7.4922 -7.4216 -7.4215 -7.3644 -7.3628 -6.9705 -6.9687 -6.2095 -6.2082 -5.5423 -5.5395 -5.2639 -5.2633 -4.5837 -4.5772 -4.4054 -4.4034 -4.0405 -4.0387 -3.9335 -3.9263 -3.6715 -3.6661 -1.3329 -1.3294 -1.1930 -1.1847 -1.0363 -1.0329 -0.7661 -0.7618 -0.3845 -0.3737 -0.3494 -0.3386 -0.2292 -0.2223 -0.1318 -0.1255 4.8834 4.8840 5.0776 5.0792 5.4523 5.4543 5.6068 5.6097 7.7568 7.7572 9.4224 9.4234 k = 0.2364 0.2364-0.0000 ( 4846 PWs) bands (ev): -21.9026 -21.9026 -21.6753 -21.6753 -21.6719 -21.6719 -21.4836 -21.4835 -16.2391 -16.2390 -15.9304 -15.9304 -15.9047 -15.9047 -15.5765 -15.5764 -7.4882 -7.4853 -7.4220 -7.4220 -7.3651 -7.3636 -6.9665 -6.9647 -6.2266 -6.2252 -5.5276 -5.5247 -5.2598 -5.2592 -4.5510 -4.5443 -4.3994 -4.3974 -4.0323 -4.0306 -3.9384 -3.9310 -3.6780 -3.6726 -1.3490 -1.3454 -1.2138 -1.2056 -1.0433 -1.0400 -0.7942 -0.7898 -0.3733 -0.3622 -0.3513 -0.3403 -0.2315 -0.2245 -0.1364 -0.1301 4.8774 4.8779 5.0839 5.0855 5.4564 5.4583 5.6072 5.6102 7.6967 7.6970 9.3911 9.3921 k = 0.2273 0.2273-0.0000 ( 4858 PWs) bands (ev): -21.9128 -21.9128 -21.6769 -21.6769 -21.6737 -21.6737 -21.4766 -21.4766 -16.2372 -16.2370 -15.9275 -15.9275 -15.9022 -15.9022 -15.5700 -15.5698 -7.4807 -7.4779 -7.4221 -7.4220 -7.3656 -7.3642 -6.9632 -6.9615 -6.2433 -6.2420 -5.5126 -5.5097 -5.2557 -5.2551 -4.5188 -4.5120 -4.3928 -4.3907 -4.0254 -4.0238 -3.9432 -3.9357 -3.6855 -3.6801 -1.3640 -1.3604 -1.2345 -1.2264 -1.0504 -1.0472 -0.8222 -0.8178 -0.3629 -0.3526 -0.3511 -0.3413 -0.2335 -0.2263 -0.1413 -0.1350 4.8735 4.8740 5.0911 5.0926 5.4602 5.4622 5.6073 5.6102 7.6357 7.6360 9.3585 9.3594 k = 0.2182 0.2182-0.0000 ( 4864 PWs) bands (ev): -21.9230 -21.9229 -21.6785 -21.6785 -21.6755 -21.6755 -21.4697 -21.4697 -16.2346 -16.2344 -15.9248 -15.9248 -15.8998 -15.8998 -15.5642 -15.5640 -7.4727 -7.4700 -7.4216 -7.4215 -7.3659 -7.3645 -6.9608 -6.9591 -6.2597 -6.2584 -5.4973 -5.4944 -5.2517 -5.2511 -4.4872 -4.4803 -4.3854 -4.3833 -4.0197 -4.0182 -3.9479 -3.9403 -3.6939 -3.6886 -1.3778 -1.3742 -1.2550 -1.2470 -1.0577 -1.0547 -0.8500 -0.8456 -0.3539 -0.3535 -0.3408 -0.3408 -0.2349 -0.2277 -0.1465 -0.1402 4.8719 4.8724 5.0992 5.1007 5.4638 5.4658 5.6069 5.6098 7.5738 7.5742 9.3253 9.3262 k = 0.2091 0.2091-0.0000 ( 4860 PWs) bands (ev): -21.9329 -21.9329 -21.6801 -21.6801 -21.6773 -21.6773 -21.4629 -21.4629 -16.2313 -16.2312 -15.9222 -15.9222 -15.8977 -15.8976 -15.5589 -15.5588 -7.4644 -7.4618 -7.4206 -7.4204 -7.3660 -7.3645 -6.9591 -6.9575 -6.2757 -6.2743 -5.4819 -5.4789 -5.2478 -5.2472 -4.4564 -4.4494 -4.3775 -4.3752 -4.0153 -4.0140 -3.9525 -3.9449 -3.7031 -3.6978 -1.3904 -1.3867 -1.2752 -1.2674 -1.0651 -1.0624 -0.8776 -0.8731 -0.3539 -0.3486 -0.3371 -0.3313 -0.2356 -0.2284 -0.1518 -0.1455 4.8726 4.8731 5.1080 5.1095 5.4672 5.4692 5.6062 5.6091 7.5110 7.5114 9.2920 9.2929 k = 0.2000 0.2000-0.0000 ( 4856 PWs) bands (ev): -21.9426 -21.9426 -21.6817 -21.6817 -21.6791 -21.6791 -21.4562 -21.4561 -16.2274 -16.2273 -15.9197 -15.9197 -15.8956 -15.8956 -15.5544 -15.5542 -7.4559 -7.4533 -7.4190 -7.4187 -7.3658 -7.3644 -6.9582 -6.9566 -6.2912 -6.2898 -5.4662 -5.4633 -5.2440 -5.2434 -4.4263 -4.4193 -4.3689 -4.3666 -4.0123 -4.0111 -3.9570 -3.9493 -3.7130 -3.7079 -1.4017 -1.3979 -1.2951 -1.2874 -1.0729 -1.0703 -0.9047 -0.9002 -0.3538 -0.3467 -0.3306 -0.3231 -0.2352 -0.2283 -0.1573 -0.1510 4.8758 4.8762 5.1176 5.1191 5.4704 5.4724 5.6051 5.6081 7.4472 7.4476 9.2592 9.2601 k = 0.1909 0.1909-0.0000 ( 4856 PWs) bands (ev): -21.9521 -21.9520 -21.6833 -21.6833 -21.6809 -21.6809 -21.4495 -21.4495 -16.2230 -16.2228 -15.9174 -15.9174 -15.8937 -15.8937 -15.5504 -15.5502 -7.4473 -7.4449 -7.4167 -7.4163 -7.3654 -7.3640 -6.9579 -6.9564 -6.3062 -6.3049 -5.4505 -5.4475 -5.2404 -5.2397 -4.3972 -4.3900 -4.3598 -4.3574 -4.0107 -4.0096 -3.9614 -3.9536 -3.7237 -3.7186 -1.4116 -1.4078 -1.3146 -1.3071 -1.0808 -1.0785 -0.9314 -0.9268 -0.3534 -0.3458 -0.3239 -0.3162 -0.2337 -0.2271 -0.1628 -0.1566 4.8813 4.8818 5.1278 5.1293 5.4734 5.4754 5.6038 5.6067 7.3826 7.3830 9.2272 9.2280 k = 0.1818 0.1818-0.0000 ( 4856 PWs) bands (ev): -21.9613 -21.9613 -21.6849 -21.6849 -21.6827 -21.6827 -21.4430 -21.4430 -16.2180 -16.2178 -15.9152 -15.9152 -15.8921 -15.8921 -15.5470 -15.5468 -7.4389 -7.4367 -7.4135 -7.4129 -7.3648 -7.3635 -6.9584 -6.9570 -6.3207 -6.3194 -5.4345 -5.4316 -5.2369 -5.2362 -4.3691 -4.3617 -4.3500 -4.3477 -4.0104 -4.0095 -3.9655 -3.9577 -3.7350 -3.7301 -1.4202 -1.4162 -1.3336 -1.3262 -1.0891 -1.0871 -0.9576 -0.9529 -0.3526 -0.3449 -0.3182 -0.3110 -0.2307 -0.2249 -0.1684 -0.1623 4.8894 4.8898 5.1385 5.1400 5.4761 5.4780 5.6022 5.6051 7.3171 7.3175 9.1964 9.1972 k = 0.1727 0.1727-0.0000 ( 4852 PWs) bands (ev): -21.9702 -21.9702 -21.6865 -21.6865 -21.6845 -21.6845 -21.4367 -21.4367 -16.2125 -16.2123 -15.9131 -15.9131 -15.8906 -15.8906 -15.5442 -15.5440 -7.4310 -7.4291 -7.4092 -7.4084 -7.3640 -7.3628 -6.9596 -6.9582 -6.3347 -6.3334 -5.4185 -5.4156 -5.2335 -5.2329 -4.3435 -4.3382 -4.3379 -4.3340 -4.0113 -4.0106 -3.9695 -3.9616 -3.7470 -3.7421 -1.4273 -1.4233 -1.3520 -1.3449 -1.0976 -1.0958 -0.9830 -0.9784 -0.3515 -0.3439 -0.3138 -0.3074 -0.2263 -0.2214 -0.1740 -0.1680 4.8999 4.9003 5.1497 5.1512 5.4785 5.4805 5.6004 5.6033 7.2509 7.2513 9.1670 9.1678 k = 0.1636 0.1636-0.0000 ( 4852 PWs) bands (ev): -21.9789 -21.9788 -21.6880 -21.6880 -21.6862 -21.6862 -21.4305 -21.4305 -16.2065 -16.2064 -15.9112 -15.9112 -15.8894 -15.8893 -15.5419 -15.5417 -7.4238 -7.4223 -7.4037 -7.4025 -7.3630 -7.3619 -6.9614 -6.9600 -6.3481 -6.3468 -5.4025 -5.3997 -5.2303 -5.2297 -4.3303 -4.3270 -4.3148 -4.3080 -4.0135 -4.0130 -3.9733 -3.9654 -3.7595 -3.7548 -1.4331 -1.4290 -1.3699 -1.3629 -1.1063 -1.1049 -1.0078 -1.0031 -0.3501 -0.3427 -0.3107 -0.3053 -0.2208 -0.2169 -0.1796 -0.1736 4.9128 4.9132 5.1613 5.1628 5.4807 5.4826 5.5984 5.6013 7.1840 7.1843 9.1393 9.1400 k = 0.1545 0.1545-0.0000 ( 4848 PWs) bands (ev): -21.9872 -21.9871 -21.6895 -21.6895 -21.6878 -21.6878 -21.4245 -21.4245 -16.2002 -16.2001 -15.9094 -15.9094 -15.8883 -15.8883 -15.5401 -15.5399 -7.4174 -7.4164 -7.3969 -7.3954 -7.3619 -7.3608 -6.9638 -6.9625 -6.3609 -6.3597 -5.3865 -5.3837 -5.2274 -5.2268 -4.3192 -4.3160 -4.2900 -4.2829 -4.0168 -4.0165 -3.9769 -3.9689 -3.7726 -3.7680 -1.4375 -1.4334 -1.3870 -1.3802 -1.1153 -1.1141 -1.0317 -1.0270 -0.3485 -0.3414 -0.3089 -0.3045 -0.2144 -0.2115 -0.1850 -0.1792 4.9283 4.9286 5.1732 5.1747 5.4825 5.4844 5.5963 5.5992 7.1166 7.1169 9.1133 9.1141 k = 0.1455 0.1455-0.0000 ( 4856 PWs) bands (ev): -21.9951 -21.9951 -21.6909 -21.6909 -21.6894 -21.6894 -21.4188 -21.4188 -16.1935 -16.1934 -15.9078 -15.9077 -15.8876 -15.8876 -15.5387 -15.5386 -7.4118 -7.4110 -7.3891 -7.3874 -7.3607 -7.3597 -6.9668 -6.9655 -6.3731 -6.3719 -5.3706 -5.3679 -5.2246 -5.2240 -4.3079 -4.3047 -4.2662 -4.2590 -4.0211 -4.0209 -3.9803 -3.9723 -3.7862 -3.7817 -1.4406 -1.4364 -1.4034 -1.3968 -1.1244 -1.1236 -1.0546 -1.0500 -0.3468 -0.3399 -0.3081 -0.3046 -0.2074 -0.2056 -0.1901 -0.1847 4.9460 4.9464 5.1851 5.1867 5.4841 5.4859 5.5941 5.5970 7.0488 7.0492 9.0892 9.0900 k = 0.1364 0.1364-0.0000 ( 4852 PWs) bands (ev): -22.0027 -22.0027 -21.6923 -21.6923 -21.6910 -21.6910 -21.4133 -21.4132 -16.1866 -16.1865 -15.9062 -15.9062 -15.8871 -15.8871 -15.5378 -15.5377 -7.4064 -7.4058 -7.3808 -7.3790 -7.3594 -7.3584 -6.9703 -6.9690 -6.3846 -6.3835 -5.3548 -5.3522 -5.2220 -5.2215 -4.2963 -4.2930 -4.2435 -4.2363 -4.0262 -4.0262 -3.9835 -3.9755 -3.8003 -3.7959 -1.4425 -1.4382 -1.4190 -1.4127 -1.1338 -1.1333 -1.0766 -1.0719 -0.3449 -0.3383 -0.3079 -0.3053 -0.2009 -0.2006 -0.1934 -0.1896 4.9661 4.9664 5.1973 5.1988 5.4854 5.4872 5.5918 5.5947 6.9809 6.9813 9.0671 9.0678 k = 0.1273 0.1273-0.0000 ( 4856 PWs) bands (ev): -22.0099 -22.0099 -21.6936 -21.6936 -21.6925 -21.6925 -21.4080 -21.4080 -16.1795 -16.1793 -15.9048 -15.9048 -15.8868 -15.8868 -15.5372 -15.5371 -7.4011 -7.4007 -7.3723 -7.3705 -7.3580 -7.3571 -6.9742 -6.9730 -6.3955 -6.3945 -5.3393 -5.3367 -5.2197 -5.2191 -4.2845 -4.2811 -4.2221 -4.2149 -4.0322 -4.0320 -3.9865 -3.9785 -3.8149 -3.8106 -1.4432 -1.4388 -1.4338 -1.4277 -1.1432 -1.1431 -1.0974 -1.0928 -0.3429 -0.3367 -0.3084 -0.3064 -0.2026 -0.1977 -0.1905 -0.1901 4.9883 4.9886 5.2094 5.2110 5.4863 5.4880 5.5896 5.5924 6.9132 6.9136 9.0468 9.0475 k = 0.1182 0.1182-0.0000 ( 4866 PWs) bands (ev): -22.0167 -22.0167 -21.6949 -21.6949 -21.6939 -21.6939 -21.4030 -21.4030 -16.1722 -16.1721 -15.9036 -15.9036 -15.8868 -15.8868 -15.5370 -15.5369 -7.3958 -7.3955 -7.3638 -7.3621 -7.3565 -7.3557 -6.9785 -6.9774 -6.4057 -6.4047 -5.3241 -5.3216 -5.2175 -5.2170 -4.2725 -4.2690 -4.2020 -4.1947 -4.0386 -4.0383 -3.9893 -3.9814 -3.8298 -3.8257 -1.4478 -1.4441 -1.4405 -1.4384 -1.1530 -1.1527 -1.1170 -1.1124 -0.3409 -0.3351 -0.3092 -0.3078 -0.2070 -0.2016 -0.1844 -0.1838 5.0126 5.0129 5.2215 5.2230 5.4869 5.4886 5.5873 5.5900 6.8458 6.8462 9.0285 9.0292 k = 0.1091 0.1091-0.0000 ( 4862 PWs) bands (ev): -22.0230 -22.0230 -21.6961 -21.6961 -21.6953 -21.6953 -21.3983 -21.3983 -16.1648 -16.1647 -15.9024 -15.9024 -15.8870 -15.8870 -15.5371 -15.5370 -7.3904 -7.3901 -7.3556 -7.3555 -7.3543 -7.3536 -6.9831 -6.9820 -6.4153 -6.4143 -5.3093 -5.3069 -5.2156 -5.2151 -4.2603 -4.2567 -4.1832 -4.1759 -4.0454 -4.0449 -3.9919 -3.9840 -3.8452 -3.8411 -1.4608 -1.4557 -1.4408 -1.4369 -1.1629 -1.1622 -1.1353 -1.1307 -0.3389 -0.3334 -0.3102 -0.3093 -0.2115 -0.2063 -0.1776 -0.1773 5.0388 5.0391 5.2334 5.2349 5.4872 5.4888 5.5852 5.5878 6.7792 6.7795 9.0121 9.0127 k = 0.1000 0.1000-0.0000 ( 4852 PWs) bands (ev): -22.0289 -22.0289 -21.6972 -21.6972 -21.6965 -21.6965 -21.3939 -21.3939 -16.1575 -16.1574 -15.9014 -15.9014 -15.8874 -15.8874 -15.5373 -15.5372 -7.3850 -7.3847 -7.3537 -7.3529 -7.3477 -7.3460 -6.9879 -6.9869 -6.4241 -6.4232 -5.2950 -5.2928 -5.2138 -5.2134 -4.2481 -4.2444 -4.1656 -4.1584 -4.0522 -4.0516 -3.9944 -3.9866 -3.8608 -3.8569 -1.4729 -1.4681 -1.4386 -1.4346 -1.1729 -1.1718 -1.1522 -1.1477 -0.3369 -0.3319 -0.3114 -0.3108 -0.2159 -0.2109 -0.1711 -0.1710 5.0666 5.0668 5.2450 5.2464 5.4873 5.4887 5.5831 5.5856 6.7137 6.7140 8.9975 8.9980 k = 0.0909 0.0909-0.0000 ( 4846 PWs) bands (ev): -22.0343 -22.0343 -21.6982 -21.6982 -21.6977 -21.6977 -21.3899 -21.3898 -16.1504 -16.1503 -15.9004 -15.9004 -15.8881 -15.8881 -15.5378 -15.5377 -7.3795 -7.3793 -7.3522 -7.3516 -7.3403 -7.3387 -6.9928 -6.9919 -6.4321 -6.4313 -5.2813 -5.2793 -5.2123 -5.2119 -4.2359 -4.2321 -4.1495 -4.1423 -4.0587 -4.0580 -3.9967 -3.9890 -3.8767 -3.8729 -1.4841 -1.4795 -1.4354 -1.4315 -1.1828 -1.1812 -1.1678 -1.1632 -0.3350 -0.3304 -0.3126 -0.3124 -0.2200 -0.2153 -0.1650 -0.1649 5.0957 5.0959 5.2562 5.2576 5.4869 5.4882 5.5812 5.5836 6.6497 6.6500 8.9845 8.9850 k = 0.0818 0.0818-0.0000 ( 4850 PWs) bands (ev): -22.0393 -22.0393 -21.6992 -21.6992 -21.6988 -21.6988 -21.3861 -21.3861 -16.1434 -16.1433 -15.8996 -15.8996 -15.8889 -15.8889 -15.5384 -15.5383 -7.3741 -7.3740 -7.3508 -7.3502 -7.3334 -7.3320 -6.9978 -6.9969 -6.4395 -6.4387 -5.2684 -5.2665 -5.2109 -5.2106 -4.2239 -4.2201 -4.1346 -4.1275 -4.0649 -4.0640 -3.9989 -3.9914 -3.8928 -3.8890 -1.4943 -1.4901 -1.4317 -1.4279 -1.1926 -1.1906 -1.1818 -1.1772 -0.3332 -0.3291 -0.3139 -0.3137 -0.2238 -0.2194 -0.1595 -0.1592 5.1257 5.1259 5.2669 5.2683 5.4863 5.4874 5.5795 5.5817 6.5877 6.5880 8.9732 8.9737 k = 0.0727 0.0727-0.0000 ( 4849 PWs) bands (ev): -22.0438 -22.0438 -21.7001 -21.7001 -21.6997 -21.6997 -21.3828 -21.3828 -16.1367 -16.1366 -15.8989 -15.8989 -15.8899 -15.8899 -15.5391 -15.5390 -7.3689 -7.3687 -7.3495 -7.3490 -7.3271 -7.3258 -7.0026 -7.0018 -6.4460 -6.4454 -5.2563 -5.2547 -5.2097 -5.2094 -4.2123 -4.2084 -4.1211 -4.1141 -4.0702 -4.0693 -4.0010 -3.9937 -3.9089 -3.9053 -1.5035 -1.4997 -1.4275 -1.4238 -1.2022 -1.1998 -1.1942 -1.1897 -0.3315 -0.3279 -0.3152 -0.3147 -0.2273 -0.2232 -0.1544 -0.1541 5.1563 5.1564 5.2771 5.2783 5.4854 5.4864 5.5779 5.5799 6.5283 6.5285 8.9635 8.9639 k = 0.0636 0.0636-0.0000 ( 4845 PWs) bands (ev): -22.0477 -22.0477 -21.7008 -21.7008 -21.7006 -21.7006 -21.3798 -21.3798 -16.1305 -16.1304 -15.8983 -15.8983 -15.8910 -15.8909 -15.5398 -15.5397 -7.3638 -7.3637 -7.3482 -7.3478 -7.3215 -7.3203 -7.0073 -7.0066 -6.4519 -6.4513 -5.2453 -5.2439 -5.2086 -5.2084 -4.2012 -4.1974 -4.1090 -4.1021 -4.0743 -4.0733 -4.0030 -3.9959 -3.9249 -3.9214 -1.5116 -1.5082 -1.4229 -1.4194 -1.2115 -1.2091 -1.2046 -1.2006 -0.3299 -0.3269 -0.3164 -0.3156 -0.2304 -0.2267 -0.1498 -0.1495 5.1867 5.1869 5.2865 5.2877 5.4843 5.4852 5.5765 5.5784 6.4721 6.4723 8.9552 8.9555 k = 0.0545 0.0545-0.0000 ( 4843 PWs) bands (ev): -22.0512 -22.0512 -21.7015 -21.7015 -21.7014 -21.7014 -21.3771 -21.3771 -16.1248 -16.1247 -15.8977 -15.8977 -15.8921 -15.8920 -15.5405 -15.5404 -7.3591 -7.3591 -7.3470 -7.3467 -7.3165 -7.3155 -7.0117 -7.0110 -6.4569 -6.4564 -5.2354 -5.2342 -5.2076 -5.2076 -4.1911 -4.1875 -4.0983 -4.0916 -4.0768 -4.0758 -4.0049 -3.9982 -3.9408 -3.9374 -1.5186 -1.5157 -1.4182 -1.4150 -1.2201 -1.2180 -1.2133 -1.2100 -0.3286 -0.3262 -0.3174 -0.3164 -0.2331 -0.2298 -0.1458 -0.1455 5.2163 5.2165 5.2951 5.2961 5.4831 5.4838 5.5754 5.5770 6.4200 6.4202 8.9482 8.9485 k = 0.0455 0.0455-0.0000 ( 4851 PWs) bands (ev): -22.0541 -22.0541 -21.7021 -21.7021 -21.7020 -21.7020 -21.3749 -21.3749 -16.1197 -16.1197 -15.8973 -15.8973 -15.8931 -15.8931 -15.5412 -15.5411 -7.3550 -7.3549 -7.3459 -7.3458 -7.3123 -7.3114 -7.0156 -7.0150 -6.4612 -6.4608 -5.2269 -5.2259 -5.2068 -5.2068 -4.1823 -4.1790 -4.0893 -4.0827 -4.0771 -4.0761 -4.0066 -4.0004 -3.9563 -3.9531 -1.5246 -1.5222 -1.4136 -1.4107 -1.2278 -1.2261 -1.2208 -1.2182 -0.3274 -0.3257 -0.3181 -0.3169 -0.2354 -0.2326 -0.1424 -0.1421 5.2442 5.2444 5.3027 5.3036 5.4818 5.4823 5.5744 5.5758 6.3729 6.3731 8.9424 8.9427 k = 0.0364 0.0364-0.0000 ( 4849 PWs) bands (ev): -22.0566 -22.0566 -21.7026 -21.7026 -21.7026 -21.7025 -21.3731 -21.3731 -16.1154 -16.1154 -15.8969 -15.8969 -15.8941 -15.8941 -15.5418 -15.5417 -7.3515 -7.3513 -7.3449 -7.3449 -7.3088 -7.3081 -7.0190 -7.0185 -6.4647 -6.4643 -5.2197 -5.2190 -5.2062 -5.2061 -4.1750 -4.1723 -4.0820 -4.0767 -4.0738 -4.0737 -4.0081 -4.0026 -3.9712 -3.9683 -1.5295 -1.5275 -1.4093 -1.4068 -1.2343 -1.2329 -1.2270 -1.2250 -0.3266 -0.3255 -0.3185 -0.3173 -0.2372 -0.2349 -0.1395 -0.1392 5.2695 5.2696 5.3092 5.3100 5.4805 5.4809 5.5737 5.5748 6.3319 6.3320 8.9378 8.9380 k = 0.0273 0.0273-0.0000 ( 4853 PWs) bands (ev): -22.0585 -22.0585 -21.7030 -21.7030 -21.7029 -21.7029 -21.3716 -21.3716 -16.1119 -16.1119 -15.8967 -15.8967 -15.8950 -15.8950 -15.5423 -15.5423 -7.3487 -7.3485 -7.3441 -7.3440 -7.3061 -7.3055 -7.0217 -7.0214 -6.4674 -6.4671 -5.2141 -5.2138 -5.2056 -5.2053 -4.1697 -4.1675 -4.0762 -4.0721 -4.0691 -4.0685 -4.0093 -4.0047 -3.9851 -3.9825 -1.5333 -1.5318 -1.4054 -1.4035 -1.2395 -1.2384 -1.2320 -1.2305 -0.3260 -0.3254 -0.3187 -0.3176 -0.2386 -0.2368 -0.1373 -0.1371 5.2908 5.2910 5.3146 5.3151 5.4794 5.4797 5.5732 5.5740 6.2981 6.2982 8.9343 8.9345 k = 0.0182 0.0182-0.0000 ( 4841 PWs) bands (ev): -22.0598 -22.0598 -21.7033 -21.7033 -21.7032 -21.7032 -21.3706 -21.3706 -16.1094 -16.1093 -15.8965 -15.8965 -15.8956 -15.8956 -15.5426 -15.5426 -7.3469 -7.3466 -7.3433 -7.3431 -7.3041 -7.3037 -7.0237 -7.0235 -6.4693 -6.4691 -5.2104 -5.2104 -5.2048 -5.2044 -4.1660 -4.1646 -4.0707 -4.0665 -4.0646 -4.0641 -4.0100 -4.0067 -3.9973 -3.9951 -1.5359 -1.5349 -1.4024 -1.4011 -1.2433 -1.2425 -1.2357 -1.2346 -0.3257 -0.3254 -0.3187 -0.3178 -0.2395 -0.2383 -0.1357 -0.1355 5.3071 5.3072 5.3187 5.3190 5.4785 5.4787 5.5729 5.5734 6.2728 6.2729 8.9319 8.9320 k = 0.0091 0.0091-0.0000 ( 4841 PWs) bands (ev): -22.0606 -22.0606 -21.7035 -21.7035 -21.7033 -21.7033 -21.3700 -21.3700 -16.1078 -16.1078 -15.8964 -15.8964 -15.8960 -15.8960 -15.5429 -15.5429 -7.3459 -7.3457 -7.3425 -7.3424 -7.3028 -7.3027 -7.0249 -7.0248 -6.4705 -6.4704 -5.2086 -5.2086 -5.2038 -5.2035 -4.1639 -4.1631 -4.0659 -4.0628 -4.0610 -4.0600 -4.0100 -4.0085 -4.0062 -4.0048 -1.5374 -1.5369 -1.4003 -1.3996 -1.2455 -1.2451 -1.2378 -1.2372 -0.3255 -0.3254 -0.3185 -0.3180 -0.2399 -0.2393 -0.1347 -0.1346 5.3166 5.3169 5.3220 5.3220 5.4779 5.4780 5.5727 5.5730 6.2572 6.2572 8.9304 8.9304 k = 0.0000 0.0000 0.0000 ( 4837 PWs) bands (ev): -22.0609 -22.0609 -21.7035 -21.7035 -21.7034 -21.7034 -21.3698 -21.3698 -16.1073 -16.1073 -15.8964 -15.8964 -15.8961 -15.8961 -15.5429 -15.5429 -7.3455 -7.3455 -7.3422 -7.3422 -7.3024 -7.3024 -7.0253 -7.0253 -6.4708 -6.4708 -5.2081 -5.2081 -5.2033 -5.2033 -4.1629 -4.1629 -4.0632 -4.0632 -4.0584 -4.0584 -4.0097 -4.0097 -4.0090 -4.0090 -1.5377 -1.5377 -1.3994 -1.3994 -1.2461 -1.2461 -1.2383 -1.2383 -0.3255 -0.3255 -0.3182 -0.3182 -0.2398 -0.2398 -0.1343 -0.1343 5.3193 5.3193 5.3237 5.3237 5.4778 5.4778 5.5728 5.5728 6.2518 6.2518 8.9298 8.9298 k = 0.0000 0.0000 0.0000 ( 4837 PWs) bands (ev): -22.0609 -22.0609 -21.7035 -21.7035 -21.7034 -21.7034 -21.3698 -21.3698 -16.1073 -16.1073 -15.8964 -15.8964 -15.8961 -15.8961 -15.5429 -15.5429 -7.3455 -7.3455 -7.3422 -7.3422 -7.3024 -7.3024 -7.0253 -7.0253 -6.4708 -6.4708 -5.2081 -5.2081 -5.2033 -5.2033 -4.1629 -4.1629 -4.0632 -4.0632 -4.0584 -4.0584 -4.0097 -4.0097 -4.0090 -4.0090 -1.5377 -1.5377 -1.3994 -1.3994 -1.2461 -1.2461 -1.2383 -1.2383 -0.3255 -0.3255 -0.3182 -0.3182 -0.2398 -0.2398 -0.1343 -0.1343 5.3193 5.3193 5.3237 5.3237 5.4778 5.4778 5.5728 5.5728 6.2518 6.2518 8.9298 8.9298 k = 0.0000 0.0000 0.0127 ( 4833 PWs) bands (ev): -22.0606 -22.0606 -21.7172 -21.7171 -21.6898 -21.6898 -21.3700 -21.3700 -16.1071 -16.1071 -15.9070 -15.9067 -15.8856 -15.8853 -15.5433 -15.5433 -7.3473 -7.3441 -7.3433 -7.3399 -7.3025 -7.3024 -7.0264 -7.0259 -6.4695 -6.4691 -5.2515 -5.2466 -5.1648 -5.1600 -4.1627 -4.1627 -4.0651 -4.0635 -4.0589 -4.0574 -4.0109 -4.0103 -4.0087 -4.0081 -1.5377 -1.5373 -1.3988 -1.3988 -1.2575 -1.2496 -1.2351 -1.2274 -0.3366 -0.3293 -0.3142 -0.3070 -0.2404 -0.2402 -0.1345 -0.1342 5.3158 5.3202 5.3234 5.3278 5.4771 5.4771 5.5724 5.5726 6.2544 6.2547 8.8331 8.8338 k = 0.0000 0.0000 0.0254 ( 4829 PWs) bands (ev): -22.0597 -22.0597 -21.7308 -21.7308 -21.6763 -21.6762 -21.3707 -21.3707 -16.1068 -16.1067 -15.9173 -15.9170 -15.8746 -15.8743 -15.5443 -15.5443 -7.3488 -7.3456 -7.3406 -7.3372 -7.3028 -7.3026 -7.0292 -7.0283 -6.4653 -6.4643 -5.2949 -5.2900 -5.1216 -5.1168 -4.1620 -4.1619 -4.0686 -4.0665 -4.0584 -4.0566 -4.0124 -4.0119 -4.0080 -4.0074 -1.5373 -1.5365 -1.3971 -1.3971 -1.2692 -1.2613 -1.2245 -1.2170 -0.3474 -0.3403 -0.3030 -0.2959 -0.2419 -0.2414 -0.1348 -0.1340 5.3128 5.3171 5.3279 5.3323 5.4749 5.4751 5.5714 5.5717 6.2623 6.2629 8.7364 8.7372 k = 0.0000 0.0000 0.0381 ( 4845 PWs) bands (ev): -22.0584 -22.0583 -21.7445 -21.7445 -21.6628 -21.6627 -21.3720 -21.3720 -16.1062 -16.1062 -15.9274 -15.9272 -15.8634 -15.8632 -15.5461 -15.5460 -7.3498 -7.3468 -7.3376 -7.3340 -7.3032 -7.3030 -7.0337 -7.0323 -6.4581 -6.4567 -5.3383 -5.3334 -5.0786 -5.0738 -4.1608 -4.1606 -4.0737 -4.0716 -4.0576 -4.0559 -4.0143 -4.0138 -4.0076 -4.0070 -1.5365 -1.5353 -1.3944 -1.3943 -1.2812 -1.2732 -1.2146 -1.2072 -0.3580 -0.3509 -0.2919 -0.2851 -0.2443 -0.2434 -0.1352 -0.1340 5.3103 5.3146 5.3329 5.3373 5.4715 5.4717 5.5697 5.5702 6.2754 6.2762 8.6397 8.6406 k = 0.0000 0.0000 0.0507 ( 4837 PWs) bands (ev): -22.0564 -22.0564 -21.7582 -21.7582 -21.6494 -21.6493 -21.3737 -21.3737 -16.1053 -16.1053 -15.9373 -15.9370 -15.8521 -15.8518 -15.5485 -15.5484 -7.3505 -7.3475 -7.3340 -7.3304 -7.3038 -7.3035 -7.0396 -7.0378 -6.4481 -6.4462 -5.3816 -5.3767 -5.0358 -5.0311 -4.1591 -4.1589 -4.0805 -4.0784 -4.0568 -4.0552 -4.0165 -4.0160 -4.0075 -4.0069 -1.5353 -1.5338 -1.3905 -1.3904 -1.2932 -1.2852 -1.2055 -1.1983 -0.3680 -0.3611 -0.2809 -0.2749 -0.2477 -0.2459 -0.1355 -0.1340 5.3084 5.3125 5.3384 5.3428 5.4669 5.4672 5.5675 5.5682 6.2936 6.2947 8.5432 8.5442 k = 0.0000 0.0000 0.0634 ( 4853 PWs) bands (ev): -22.0539 -22.0539 -21.7718 -21.7718 -21.6361 -21.6361 -21.3759 -21.3759 -16.1043 -16.1042 -15.9469 -15.9466 -15.8406 -15.8403 -15.5515 -15.5515 -7.3509 -7.3480 -7.3301 -7.3264 -7.3046 -7.3042 -7.0469 -7.0447 -6.4354 -6.4332 -5.4248 -5.4199 -4.9933 -4.9886 -4.1570 -4.1567 -4.0892 -4.0871 -4.0559 -4.0544 -4.0189 -4.0186 -4.0076 -4.0071 -1.5338 -1.5318 -1.3856 -1.3855 -1.3052 -1.2973 -1.1972 -1.1902 -0.3774 -0.3707 -0.2702 -0.2662 -0.2519 -0.2481 -0.1360 -0.1341 5.3070 5.3110 5.3443 5.3487 5.4613 5.4616 5.5646 5.5655 6.3167 6.3181 8.4470 8.4480 k = 0.0000 0.0000 0.0761 ( 4857 PWs) bands (ev): -22.0508 -22.0508 -21.7853 -21.7853 -21.6229 -21.6229 -21.3785 -21.3785 -16.1029 -16.1028 -15.9562 -15.9560 -15.8290 -15.8287 -15.5553 -15.5552 -7.3509 -7.3481 -7.3257 -7.3219 -7.3055 -7.3051 -7.0553 -7.0528 -6.4203 -6.4178 -5.4679 -5.4630 -4.9510 -4.9463 -4.1544 -4.1541 -4.0997 -4.0976 -4.0549 -4.0535 -4.0217 -4.0214 -4.0080 -4.0075 -1.5318 -1.5295 -1.3797 -1.3795 -1.3172 -1.3093 -1.1899 -1.1832 -0.3861 -0.3796 -0.2625 -0.2598 -0.2569 -0.2463 -0.1366 -0.1343 5.3061 5.3101 5.3506 5.3550 5.4548 5.4551 5.5612 5.5623 6.3446 6.3462 8.3511 8.3522 k = 0.0000 0.0000 0.0888 ( 4889 PWs) bands (ev): -22.0472 -22.0472 -21.7987 -21.7987 -21.6100 -21.6100 -21.3817 -21.3817 -16.1013 -16.1013 -15.9653 -15.9651 -15.8172 -15.8170 -15.5597 -15.5596 -7.3507 -7.3480 -7.3208 -7.3170 -7.3066 -7.3061 -7.0648 -7.0619 -6.4029 -6.4000 -5.5108 -5.5059 -4.9092 -4.9045 -4.1514 -4.1511 -4.1121 -4.1099 -4.0538 -4.0525 -4.0248 -4.0245 -4.0086 -4.0081 -1.5294 -1.5267 -1.3729 -1.3726 -1.3291 -1.3214 -1.1837 -1.1773 -0.3938 -0.3876 -0.2655 -0.2628 -0.2498 -0.2392 -0.1373 -0.1346 5.3057 5.3096 5.3573 5.3617 5.4477 5.4479 5.5571 5.5583 6.3770 6.3787 8.2558 8.2570 k = 0.0000 0.0000 0.1015 ( 4897 PWs) bands (ev): -22.0431 -22.0431 -21.8121 -21.8120 -21.5972 -21.5972 -21.3853 -21.3853 -16.0995 -16.0994 -15.9741 -15.9739 -15.8054 -15.8052 -15.5647 -15.5646 -7.3502 -7.3476 -7.3154 -7.3116 -7.3077 -7.3073 -7.0750 -7.0719 -6.3834 -6.3802 -5.5535 -5.5486 -4.8676 -4.8630 -4.1480 -4.1476 -4.1262 -4.1239 -4.0527 -4.0514 -4.0281 -4.0279 -4.0094 -4.0089 -1.5267 -1.5236 -1.3654 -1.3647 -1.3406 -1.3333 -1.1788 -1.1727 -0.4005 -0.3945 -0.2712 -0.2694 -0.2402 -0.2306 -0.1380 -0.1350 5.3059 5.3097 5.3644 5.3687 5.4401 5.4403 5.5526 5.5540 6.4136 6.4155 8.1612 8.1624 k = 0.0000 0.0000 0.1142 ( 4893 PWs) bands (ev): -22.0384 -22.0384 -21.8252 -21.8252 -21.5846 -21.5846 -21.3894 -21.3894 -16.0974 -16.0973 -15.9826 -15.9824 -15.7935 -15.7933 -15.5703 -15.5702 -7.3495 -7.3469 -7.3096 -7.3093 -7.3085 -7.3055 -7.0858 -7.0825 -6.3619 -6.3585 -5.5959 -5.5910 -4.8266 -4.8220 -4.1442 -4.1438 -4.1421 -4.1397 -4.0514 -4.0501 -4.0318 -4.0316 -4.0104 -4.0099 -1.5235 -1.5201 -1.3593 -1.3559 -1.3496 -1.3450 -1.1753 -1.1695 -0.4059 -0.4003 -0.2780 -0.2767 -0.2310 -0.2219 -0.1388 -0.1355 5.3067 5.3103 5.3718 5.3761 5.4321 5.4322 5.5475 5.5491 6.4543 6.4563 8.0673 8.0687 k = 0.0000 0.0000 0.1269 ( 4881 PWs) bands (ev): -22.0332 -22.0332 -21.8382 -21.8382 -21.5722 -21.5722 -21.3940 -21.3940 -16.0951 -16.0950 -15.9908 -15.9906 -15.7815 -15.7813 -15.5765 -15.5764 -7.3485 -7.3460 -7.3107 -7.3099 -7.3032 -7.2992 -7.0971 -7.0936 -6.3385 -6.3350 -5.6380 -5.6331 -4.7859 -4.7815 -4.1596 -4.1571 -4.1400 -4.1396 -4.0500 -4.0487 -4.0357 -4.0354 -4.0116 -4.0111 -1.5199 -1.5161 -1.3657 -1.3566 -1.3464 -1.3451 -1.1732 -1.1678 -0.4101 -0.4048 -0.2857 -0.2846 -0.2223 -0.2135 -0.1398 -0.1361 5.3079 5.3114 5.3795 5.3838 5.4240 5.4240 5.5420 5.5437 6.4989 6.5010 7.9744 7.9758 k = 0.0000 0.0000 0.1396 ( 4869 PWs) bands (ev): -22.0274 -22.0274 -21.8510 -21.8510 -21.5601 -21.5601 -21.3990 -21.3990 -16.0925 -16.0923 -15.9988 -15.9985 -15.7695 -15.7693 -15.5833 -15.5832 -7.3472 -7.3449 -7.3123 -7.3115 -7.2964 -7.2923 -7.1088 -7.1051 -6.3136 -6.3098 -5.6797 -5.6748 -4.7459 -4.7414 -4.1789 -4.1763 -4.1356 -4.1351 -4.0487 -4.0471 -4.0399 -4.0394 -4.0130 -4.0125 -1.5159 -1.5118 -1.3764 -1.3678 -1.3362 -1.3353 -1.1726 -1.1675 -0.4129 -0.4080 -0.2941 -0.2931 -0.2141 -0.2055 -0.1410 -0.1369 5.3097 5.3131 5.3875 5.3917 5.4157 5.4158 5.5360 5.5379 6.5472 6.5494 7.8825 7.8840 k = 0.0000 0.0000 0.1522 ( 4869 PWs) bands (ev): -22.0212 -22.0212 -21.8636 -21.8636 -21.5482 -21.5482 -21.4045 -21.4045 -16.0896 -16.0895 -16.0064 -16.0062 -15.7576 -15.7573 -15.5906 -15.5905 -7.3459 -7.3436 -7.3140 -7.3131 -7.2891 -7.2850 -7.1208 -7.1169 -6.2871 -6.2832 -5.7210 -5.7161 -4.7064 -4.7020 -4.1997 -4.1970 -4.1308 -4.1304 -4.0481 -4.0455 -4.0443 -4.0428 -4.0145 -4.0140 -1.5115 -1.5071 -1.3871 -1.3789 -1.3253 -1.3246 -1.1735 -1.1688 -0.4143 -0.4097 -0.3029 -0.3020 -0.2063 -0.1980 -0.1423 -0.1379 5.3120 5.3152 5.3958 5.3999 5.4073 5.4076 5.5295 5.5316 6.5990 6.6012 7.7917 7.7933 k = 0.0000 0.0000 0.1649 ( 4869 PWs) bands (ev): -22.0145 -22.0145 -21.8760 -21.8760 -21.5366 -21.5366 -21.4105 -21.4105 -16.0865 -16.0863 -16.0138 -16.0135 -15.7456 -15.7454 -15.5984 -15.5983 -7.3443 -7.3421 -7.3158 -7.3148 -7.2813 -7.2771 -7.1328 -7.1289 -6.2592 -6.2552 -5.7618 -5.7570 -4.6675 -4.6633 -4.2222 -4.2193 -4.1259 -4.1254 -4.0504 -4.0490 -4.0437 -4.0434 -4.0162 -4.0157 -1.5068 -1.5020 -1.3977 -1.3896 -1.3139 -1.3132 -1.1760 -1.1717 -0.4142 -0.4101 -0.3122 -0.3113 -0.1991 -0.1909 -0.1438 -0.1391 5.3148 5.3178 5.3990 5.3992 5.4045 5.4083 5.5227 5.5249 6.6542 6.6564 7.7022 7.7039 k = 0.0000 0.0000 0.1776 ( 4861 PWs) bands (ev): -22.0073 -22.0072 -21.8881 -21.8881 -21.5253 -21.5252 -21.4169 -21.4169 -16.0831 -16.0829 -16.0208 -16.0206 -15.7337 -15.7335 -15.6067 -15.6066 -7.3426 -7.3405 -7.3177 -7.3167 -7.2731 -7.2689 -7.1449 -7.1409 -6.2300 -6.2258 -5.8022 -5.7974 -4.6294 -4.6252 -4.2461 -4.2431 -4.1207 -4.1201 -4.0547 -4.0539 -4.0421 -4.0419 -4.0179 -4.0174 -1.5016 -1.4965 -1.4079 -1.4000 -1.3021 -1.3013 -1.1799 -1.1761 -0.4128 -0.4090 -0.3218 -0.3208 -0.1924 -0.1844 -0.1455 -0.1405 5.3181 5.3210 5.3909 5.3914 5.4130 5.4169 5.5154 5.5178 6.7126 6.7148 7.6142 7.6159 k = 0.0000 0.0000 0.1903 ( 4869 PWs) bands (ev): -21.9996 -21.9996 -21.9000 -21.9000 -21.5143 -21.5142 -21.4237 -21.4237 -16.0794 -16.0793 -16.0276 -16.0274 -15.7219 -15.7217 -15.6155 -15.6154 -7.3407 -7.3388 -7.3197 -7.3186 -7.2644 -7.2602 -7.1570 -7.1529 -6.1995 -6.1953 -5.8420 -5.8372 -4.5920 -4.5878 -4.2715 -4.2684 -4.1153 -4.1148 -4.0597 -4.0589 -4.0404 -4.0400 -4.0198 -4.0193 -1.4960 -1.4906 -1.4178 -1.4101 -1.2900 -1.2891 -1.1854 -1.1819 -0.4100 -0.4065 -0.3316 -0.3305 -0.1861 -0.1784 -0.1475 -0.1422 5.3219 5.3246 5.3829 5.3836 5.4217 5.4255 5.5078 5.5104 6.7739 6.7762 7.5276 7.5294 k = 0.0000 0.0000 0.2030 ( 4853 PWs) bands (ev): -21.9914 -21.9914 -21.9115 -21.9115 -21.5036 -21.5035 -21.4310 -21.4310 -16.0755 -16.0753 -16.0341 -16.0338 -15.7102 -15.7100 -15.6247 -15.6246 -7.3388 -7.3369 -7.3217 -7.3206 -7.2553 -7.2510 -7.1689 -7.1648 -6.1679 -6.1636 -5.8812 -5.8765 -4.5554 -4.5513 -4.2983 -4.2950 -4.1098 -4.1092 -4.0649 -4.0642 -4.0384 -4.0380 -4.0218 -4.0213 -1.4900 -1.4843 -1.4274 -1.4199 -1.2778 -1.2768 -1.1921 -1.1891 -0.4058 -0.4028 -0.3414 -0.3403 -0.1803 -0.1728 -0.1497 -0.1441 5.3262 5.3287 5.3752 5.3761 5.4306 5.4343 5.5000 5.5027 6.8383 6.8405 7.4428 7.4446 k = 0.0000 0.0000 0.2157 ( 4853 PWs) bands (ev): -21.9828 -21.9828 -21.9228 -21.9228 -21.4932 -21.4932 -21.4387 -21.4387 -16.0713 -16.0711 -16.0402 -16.0400 -15.6987 -15.6985 -15.6343 -15.6342 -7.3367 -7.3349 -7.3239 -7.3226 -7.2457 -7.2414 -7.1807 -7.1765 -6.1352 -6.1308 -5.9198 -5.9151 -4.5196 -4.5157 -4.3264 -4.3230 -4.1042 -4.1036 -4.0702 -4.0696 -4.0364 -4.0359 -4.0238 -4.0233 -1.4835 -1.4776 -1.4366 -1.4292 -1.2655 -1.2643 -1.2002 -1.1974 -0.4005 -0.3978 -0.3512 -0.3499 -0.1751 -0.1677 -0.1523 -0.1464 5.3309 5.3332 5.3678 5.3689 5.4395 5.4431 5.4918 5.4947 6.9054 6.9076 7.3597 7.3616 k = 0.0000 0.0000 0.2284 ( 4837 PWs) bands (ev): -21.9738 -21.9738 -21.9337 -21.9337 -21.4831 -21.4831 -21.4468 -21.4468 -16.0668 -16.0666 -16.0461 -16.0459 -15.6873 -15.6871 -15.6443 -15.6441 -7.3346 -7.3329 -7.3260 -7.3246 -7.2357 -7.2315 -7.1923 -7.1881 -6.1015 -6.0970 -5.9577 -5.9530 -4.4848 -4.4809 -4.3557 -4.3523 -4.0985 -4.0979 -4.0757 -4.0751 -4.0344 -4.0338 -4.0259 -4.0253 -1.4767 -1.4705 -1.4454 -1.4382 -1.2533 -1.2520 -1.2092 -1.2068 -0.3941 -0.3917 -0.3607 -0.3593 -0.1702 -0.1631 -0.1551 -0.1489 5.3361 5.3382 5.3608 5.3621 5.4484 5.4519 5.4835 5.4864 6.9752 6.9774 7.2785 7.2804 k = 0.0000 0.0000 0.2411 ( 4841 PWs) bands (ev): -21.9644 -21.9644 -21.9443 -21.9443 -21.4735 -21.4735 -21.4553 -21.4553 -16.0621 -16.0619 -16.0517 -16.0515 -15.6762 -15.6760 -15.6546 -15.6545 -7.3325 -7.3309 -7.3282 -7.3267 -7.2254 -7.2211 -7.2037 -7.1994 -6.0668 -6.0623 -5.9949 -5.9903 -4.4509 -4.4471 -4.3863 -4.3828 -4.0928 -4.0922 -4.0814 -4.0807 -4.0322 -4.0317 -4.0280 -4.0274 -1.4695 -1.4630 -1.4538 -1.4469 -1.2415 -1.2399 -1.2193 -1.2172 -0.3868 -0.3847 -0.3700 -0.3683 -0.1659 -0.1589 -0.1583 -0.1519 5.3416 5.3436 5.3540 5.3555 5.4573 5.4607 5.4749 5.4780 7.0475 7.0497 7.1993 7.2013 k = 0.0000 0.0000 0.2537 ( 4840 PWs) bands (ev): -21.9545 -21.9545 -21.9545 -21.9545 -21.4642 -21.4642 -21.4642 -21.4642 -16.0570 -16.0570 -16.0568 -16.0568 -15.6653 -15.6653 -15.6651 -15.6651 -7.3303 -7.3303 -7.3288 -7.3288 -7.2147 -7.2147 -7.2104 -7.2104 -6.0313 -6.0313 -6.0267 -6.0267 -4.4181 -4.4181 -4.4144 -4.4144 -4.0870 -4.0870 -4.0864 -4.0864 -4.0301 -4.0301 -4.0296 -4.0296 -1.4618 -1.4618 -1.4552 -1.4552 -1.2301 -1.2301 -1.2283 -1.2283 -0.3787 -0.3787 -0.3768 -0.3768 -0.1619 -0.1619 -0.1552 -0.1552 5.3476 5.3476 5.3493 5.3493 5.4662 5.4662 5.4694 5.4694 7.1223 7.1223 7.1244 7.1244 k = 0.0000 0.0000 0.2537 ( 4840 PWs) bands (ev): -21.9545 -21.9545 -21.9545 -21.9545 -21.4642 -21.4642 -21.4642 -21.4642 -16.0570 -16.0570 -16.0568 -16.0568 -15.6653 -15.6653 -15.6651 -15.6651 -7.3303 -7.3303 -7.3288 -7.3288 -7.2147 -7.2147 -7.2104 -7.2104 -6.0313 -6.0313 -6.0267 -6.0267 -4.4181 -4.4181 -4.4144 -4.4144 -4.0870 -4.0870 -4.0864 -4.0864 -4.0301 -4.0301 -4.0296 -4.0296 -1.4618 -1.4618 -1.4552 -1.4552 -1.2301 -1.2301 -1.2283 -1.2283 -0.3787 -0.3787 -0.3768 -0.3768 -0.1619 -0.1619 -0.1552 -0.1552 5.3476 5.3476 5.3493 5.3493 5.4662 5.4662 5.4694 5.4694 7.1223 7.1223 7.1244 7.1244 k = 0.0000 0.0128 0.2537 ( 4848 PWs) bands (ev): -21.9543 -21.9543 -21.9543 -21.9543 -21.4643 -21.4643 -21.4643 -21.4643 -16.0573 -16.0573 -16.0571 -16.0571 -15.6652 -15.6652 -15.6650 -15.6650 -7.3308 -7.3308 -7.3292 -7.3292 -7.2145 -7.2145 -7.2102 -7.2102 -6.0311 -6.0311 -6.0265 -6.0265 -4.4191 -4.4191 -4.4155 -4.4155 -4.0894 -4.0894 -4.0879 -4.0879 -4.0279 -4.0279 -4.0265 -4.0265 -1.4615 -1.4615 -1.4548 -1.4548 -1.2297 -1.2297 -1.2279 -1.2279 -0.3786 -0.3786 -0.3768 -0.3768 -0.1620 -0.1620 -0.1553 -0.1553 5.3458 5.3458 5.3476 5.3476 5.4668 5.4668 5.4701 5.4701 7.1246 7.1246 7.1267 7.1267 k = 0.0000 0.0256 0.2537 ( 4852 PWs) bands (ev): -21.9537 -21.9537 -21.9537 -21.9537 -21.4647 -21.4647 -21.4647 -21.4647 -16.0582 -16.0582 -16.0580 -16.0580 -15.6648 -15.6648 -15.6647 -15.6647 -7.3320 -7.3320 -7.3305 -7.3305 -7.2141 -7.2141 -7.2098 -7.2098 -6.0307 -6.0307 -6.0261 -6.0261 -4.4223 -4.4223 -4.4186 -4.4186 -4.0948 -4.0948 -4.0923 -4.0923 -4.0213 -4.0213 -4.0192 -4.0192 -1.4604 -1.4604 -1.4536 -1.4536 -1.2286 -1.2286 -1.2267 -1.2267 -0.3784 -0.3784 -0.3765 -0.3765 -0.1624 -0.1624 -0.1557 -0.1557 5.3406 5.3406 5.3424 5.3424 5.4686 5.4686 5.4719 5.4719 7.1316 7.1316 7.1338 7.1338 k = 0.0000 0.0385 0.2537 ( 4848 PWs) bands (ev): -21.9526 -21.9526 -21.9526 -21.9526 -21.4653 -21.4653 -21.4653 -21.4653 -16.0595 -16.0595 -16.0593 -16.0593 -15.6643 -15.6643 -15.6641 -15.6641 -7.3341 -7.3341 -7.3326 -7.3326 -7.2132 -7.2132 -7.2089 -7.2089 -6.0300 -6.0300 -6.0254 -6.0254 -4.4275 -4.4275 -4.4238 -4.4238 -4.1014 -4.1014 -4.0984 -4.0984 -4.0116 -4.0116 -4.0092 -4.0092 -1.4586 -1.4586 -1.4517 -1.4517 -1.2267 -1.2267 -1.2246 -1.2246 -0.3780 -0.3780 -0.3761 -0.3761 -0.1630 -0.1630 -0.1562 -0.1562 5.3324 5.3324 5.3342 5.3342 5.4712 5.4712 5.4747 5.4747 7.1431 7.1431 7.1454 7.1454 k = 0.0000 0.0513 0.2537 ( 4848 PWs) bands (ev): -21.9512 -21.9512 -21.9511 -21.9511 -21.4662 -21.4662 -21.4662 -21.4662 -16.0614 -16.0614 -16.0612 -16.0612 -15.6636 -15.6636 -15.6634 -15.6634 -7.3371 -7.3371 -7.3355 -7.3355 -7.2121 -7.2121 -7.2078 -7.2078 -6.0290 -6.0290 -6.0243 -6.0243 -4.4346 -4.4346 -4.4309 -4.4309 -4.1082 -4.1082 -4.1049 -4.1049 -4.0003 -4.0003 -3.9976 -3.9976 -1.4561 -1.4561 -1.4491 -1.4491 -1.2240 -1.2240 -1.2218 -1.2218 -0.3775 -0.3775 -0.3756 -0.3756 -0.1637 -0.1637 -0.1569 -0.1569 5.3216 5.3216 5.3235 5.3235 5.4743 5.4743 5.4779 5.4779 7.1591 7.1591 7.1616 7.1616 k = 0.0000 0.0641 0.2537 ( 4846 PWs) bands (ev): -21.9493 -21.9493 -21.9492 -21.9492 -21.4673 -21.4673 -21.4673 -21.4673 -16.0638 -16.0638 -16.0636 -16.0636 -15.6627 -15.6627 -15.6625 -15.6625 -7.3408 -7.3408 -7.3393 -7.3393 -7.2105 -7.2105 -7.2063 -7.2063 -6.0277 -6.0277 -6.0231 -6.0231 -4.4436 -4.4436 -4.4398 -4.4398 -4.1148 -4.1148 -4.1113 -4.1113 -3.9879 -3.9879 -3.9851 -3.9851 -1.4531 -1.4531 -1.4458 -1.4458 -1.2205 -1.2205 -1.2181 -1.2181 -0.3771 -0.3771 -0.3750 -0.3750 -0.1645 -0.1645 -0.1577 -0.1577 5.3089 5.3089 5.3109 5.3109 5.4776 5.4776 5.4812 5.4812 7.1794 7.1794 7.1821 7.1821 k = 0.0000 0.0769 0.2537 ( 4854 PWs) bands (ev): -21.9470 -21.9470 -21.9469 -21.9469 -21.4687 -21.4687 -21.4687 -21.4687 -16.0667 -16.0667 -16.0665 -16.0665 -15.6616 -15.6616 -15.6614 -15.6614 -7.3454 -7.3454 -7.3438 -7.3438 -7.2086 -7.2086 -7.2043 -7.2043 -6.0262 -6.0262 -6.0216 -6.0216 -4.4543 -4.4543 -4.4505 -4.4505 -4.1209 -4.1209 -4.1173 -4.1173 -3.9748 -3.9748 -3.9720 -3.9720 -1.4494 -1.4494 -1.4420 -1.4420 -1.2161 -1.2161 -1.2136 -1.2136 -0.3767 -0.3767 -0.3746 -0.3746 -0.1653 -0.1653 -0.1585 -0.1585 5.2947 5.2947 5.2966 5.2966 5.4807 5.4807 5.4843 5.4843 7.2037 7.2037 7.2066 7.2066 k = 0.0000 0.0897 0.2537 ( 4846 PWs) bands (ev): -21.9443 -21.9443 -21.9442 -21.9442 -21.4703 -21.4703 -21.4703 -21.4703 -16.0701 -16.0701 -16.0699 -16.0699 -15.6603 -15.6603 -15.6602 -15.6602 -7.3507 -7.3507 -7.3492 -7.3492 -7.2063 -7.2063 -7.2020 -7.2020 -6.0246 -6.0246 -6.0199 -6.0199 -4.4664 -4.4664 -4.4626 -4.4626 -4.1264 -4.1264 -4.1228 -4.1228 -3.9614 -3.9614 -3.9586 -3.9586 -1.4452 -1.4452 -1.4376 -1.4376 -1.2109 -1.2109 -1.2082 -1.2082 -0.3766 -0.3766 -0.3744 -0.3744 -0.1660 -0.1660 -0.1592 -0.1592 5.2792 5.2792 5.2811 5.2811 5.4835 5.4835 5.4872 5.4872 7.2320 7.2320 7.2350 7.2350 k = 0.0000 0.1026 0.2537 ( 4842 PWs) bands (ev): -21.9412 -21.9412 -21.9411 -21.9411 -21.4721 -21.4721 -21.4721 -21.4721 -16.0738 -16.0738 -16.0737 -16.0737 -15.6590 -15.6590 -15.6588 -15.6588 -7.3568 -7.3568 -7.3553 -7.3553 -7.2035 -7.2035 -7.1993 -7.1993 -6.0228 -6.0228 -6.0181 -6.0181 -4.4799 -4.4799 -4.4762 -4.4762 -4.1314 -4.1314 -4.1277 -4.1277 -3.9477 -3.9477 -3.9449 -3.9449 -1.4406 -1.4406 -1.4328 -1.4328 -1.2048 -1.2048 -1.2019 -1.2019 -0.3768 -0.3768 -0.3745 -0.3745 -0.1665 -0.1665 -0.1597 -0.1597 5.2629 5.2629 5.2647 5.2647 5.4860 5.4860 5.4896 5.4896 7.2638 7.2638 7.2671 7.2671 k = 0.0000 0.1154 0.2537 ( 4836 PWs) bands (ev): -21.9377 -21.9377 -21.9376 -21.9376 -21.4742 -21.4742 -21.4742 -21.4742 -16.0780 -16.0780 -16.0778 -16.0778 -15.6575 -15.6575 -15.6573 -15.6573 -7.3636 -7.3636 -7.3621 -7.3621 -7.2003 -7.2003 -7.1962 -7.1962 -6.0209 -6.0209 -6.0162 -6.0162 -4.4945 -4.4945 -4.4908 -4.4908 -4.1357 -4.1357 -4.1320 -4.1320 -3.9340 -3.9340 -3.9312 -3.9312 -1.4357 -1.4357 -1.4276 -1.4276 -1.1978 -1.1978 -1.1946 -1.1946 -0.3774 -0.3774 -0.3751 -0.3751 -0.1666 -0.1666 -0.1598 -0.1598 5.2460 5.2460 5.2477 5.2477 5.4880 5.4880 5.4916 5.4916 7.2991 7.2991 7.3025 7.3025 k = 0.0000 0.1282 0.2537 ( 4824 PWs) bands (ev): -21.9338 -21.9338 -21.9338 -21.9338 -21.4766 -21.4766 -21.4766 -21.4766 -16.0825 -16.0825 -16.0823 -16.0823 -15.6559 -15.6559 -15.6557 -15.6557 -7.3710 -7.3710 -7.3695 -7.3695 -7.1968 -7.1968 -7.1926 -7.1926 -6.0189 -6.0189 -6.0142 -6.0142 -4.5102 -4.5102 -4.5065 -4.5065 -4.1394 -4.1394 -4.1359 -4.1359 -3.9203 -3.9203 -3.9175 -3.9175 -1.4304 -1.4304 -1.4221 -1.4221 -1.1898 -1.1898 -1.1865 -1.1865 -0.3787 -0.3787 -0.3763 -0.3763 -0.1662 -0.1662 -0.1595 -0.1595 5.2287 5.2287 5.2304 5.2304 5.4895 5.4895 5.4931 5.4931 7.3374 7.3374 7.3410 7.3410 k = 0.0000 0.1410 0.2537 ( 4818 PWs) bands (ev): -21.9295 -21.9295 -21.9295 -21.9295 -21.4792 -21.4792 -21.4791 -21.4791 -16.0873 -16.0873 -16.0871 -16.0871 -15.6543 -15.6543 -15.6541 -15.6541 -7.3789 -7.3789 -7.3775 -7.3775 -7.1928 -7.1928 -7.1887 -7.1887 -6.0169 -6.0169 -6.0122 -6.0122 -4.5266 -4.5266 -4.5230 -4.5230 -4.1427 -4.1427 -4.1392 -4.1392 -3.9067 -3.9067 -3.9039 -3.9039 -1.4250 -1.4250 -1.4165 -1.4165 -1.1809 -1.1809 -1.1774 -1.1774 -0.3807 -0.3807 -0.3783 -0.3783 -0.1653 -0.1653 -0.1587 -0.1587 5.2113 5.2113 5.2129 5.2129 5.4906 5.4906 5.4942 5.4942 7.3786 7.3786 7.3824 7.3824 k = 0.0000 0.1538 0.2537 ( 4814 PWs) bands (ev): -21.9250 -21.9250 -21.9249 -21.9249 -21.4820 -21.4820 -21.4820 -21.4820 -16.0923 -16.0923 -16.0922 -16.0922 -15.6526 -15.6526 -15.6524 -15.6524 -7.3874 -7.3874 -7.3861 -7.3861 -7.1884 -7.1884 -7.1843 -7.1843 -6.0149 -6.0149 -6.0102 -6.0102 -4.5437 -4.5437 -4.5402 -4.5402 -4.1455 -4.1455 -4.1421 -4.1421 -3.8933 -3.8933 -3.8905 -3.8905 -1.4194 -1.4194 -1.4107 -1.4107 -1.1711 -1.1711 -1.1674 -1.1674 -0.3836 -0.3836 -0.3811 -0.3811 -0.1637 -0.1637 -0.1572 -0.1572 5.1939 5.1939 5.1955 5.1955 5.4912 5.4912 5.4947 5.4947 7.4225 7.4225 7.4264 7.4264 k = 0.0000 0.1667 0.2537 ( 4816 PWs) bands (ev): -21.9200 -21.9200 -21.9200 -21.9200 -21.4851 -21.4851 -21.4850 -21.4850 -16.0976 -16.0976 -16.0975 -16.0975 -15.6508 -15.6508 -15.6507 -15.6507 -7.3963 -7.3963 -7.3950 -7.3950 -7.1836 -7.1836 -7.1796 -7.1796 -6.0130 -6.0130 -6.0083 -6.0083 -4.5613 -4.5613 -4.5578 -4.5578 -4.1480 -4.1480 -4.1446 -4.1446 -3.8801 -3.8801 -3.8774 -3.8774 -1.4137 -1.4137 -1.4049 -1.4049 -1.1603 -1.1603 -1.1566 -1.1566 -0.3874 -0.3874 -0.3848 -0.3848 -0.1614 -0.1614 -0.1550 -0.1550 5.1767 5.1767 5.1783 5.1783 5.4912 5.4912 5.4947 5.4947 7.4687 7.4687 7.4727 7.4727 k = 0.0000 0.1795 0.2537 ( 4826 PWs) bands (ev): -21.9148 -21.9148 -21.9148 -21.9148 -21.4884 -21.4884 -21.4883 -21.4883 -16.1031 -16.1031 -16.1029 -16.1029 -15.6491 -15.6491 -15.6490 -15.6490 -7.4056 -7.4056 -7.4044 -7.4044 -7.1785 -7.1785 -7.1746 -7.1746 -6.0112 -6.0112 -6.0065 -6.0065 -4.5792 -4.5792 -4.5759 -4.5759 -4.1500 -4.1500 -4.1468 -4.1468 -3.8672 -3.8672 -3.8645 -3.8645 -1.4080 -1.4080 -1.3991 -1.3991 -1.1487 -1.1487 -1.1448 -1.1448 -0.3922 -0.3922 -0.3896 -0.3896 -0.1583 -0.1583 -0.1522 -0.1522 5.1600 5.1600 5.1614 5.1614 5.4908 5.4908 5.4942 5.4942 7.5171 7.5171 7.5212 7.5212 k = 0.0000 0.1923 0.2537 ( 4830 PWs) bands (ev): -21.9093 -21.9093 -21.9092 -21.9092 -21.4919 -21.4919 -21.4919 -21.4919 -16.1088 -16.1088 -16.1086 -16.1086 -15.6474 -15.6474 -15.6472 -15.6472 -7.4152 -7.4152 -7.4140 -7.4140 -7.1731 -7.1731 -7.1692 -7.1692 -6.0095 -6.0095 -6.0048 -6.0048 -4.5974 -4.5974 -4.5941 -4.5941 -4.1518 -4.1518 -4.1486 -4.1486 -3.8546 -3.8546 -3.8520 -3.8520 -1.4023 -1.4023 -1.3934 -1.3934 -1.1362 -1.1362 -1.1323 -1.1323 -0.3980 -0.3980 -0.3952 -0.3952 -0.1545 -0.1545 -0.1485 -0.1485 5.1438 5.1438 5.1452 5.1452 5.4899 5.4899 5.4933 5.4933 7.5674 7.5674 7.5716 7.5716 k = 0.0000 0.2051 0.2537 ( 4826 PWs) bands (ev): -21.9034 -21.9034 -21.9034 -21.9034 -21.4957 -21.4957 -21.4956 -21.4956 -16.1145 -16.1145 -16.1143 -16.1143 -15.6457 -15.6457 -15.6455 -15.6455 -7.4250 -7.4250 -7.4238 -7.4238 -7.1674 -7.1674 -7.1636 -7.1636 -6.0080 -6.0080 -6.0033 -6.0033 -4.6156 -4.6156 -4.6125 -4.6125 -4.1533 -4.1533 -4.1502 -4.1502 -3.8424 -3.8424 -3.8397 -3.8397 -1.3966 -1.3966 -1.3878 -1.3878 -1.1230 -1.1230 -1.1190 -1.1190 -0.4047 -0.4047 -0.4018 -0.4018 -0.1500 -0.1500 -0.1442 -0.1442 5.1282 5.1282 5.1296 5.1296 5.4887 5.4887 5.4919 5.4919 7.6194 7.6194 7.6238 7.6238 k = 0.0000 0.2179 0.2537 ( 4826 PWs) bands (ev): -21.8973 -21.8973 -21.8973 -21.8973 -21.4996 -21.4996 -21.4996 -21.4996 -16.1203 -16.1203 -16.1201 -16.1201 -15.6440 -15.6440 -15.6438 -15.6438 -7.4349 -7.4349 -7.4338 -7.4338 -7.1614 -7.1614 -7.1576 -7.1576 -6.0066 -6.0066 -6.0020 -6.0020 -4.6338 -4.6338 -4.6308 -4.6308 -4.1545 -4.1545 -4.1515 -4.1515 -3.8305 -3.8305 -3.8279 -3.8279 -1.3910 -1.3910 -1.3822 -1.3822 -1.1090 -1.1090 -1.1050 -1.1050 -0.4123 -0.4123 -0.4093 -0.4093 -0.1448 -0.1448 -0.1393 -0.1393 5.1134 5.1134 5.1148 5.1148 5.4869 5.4869 5.4902 5.4902 7.6730 7.6730 7.6775 7.6775 k = 0.0000 0.2308 0.2537 ( 4834 PWs) bands (ev): -21.8909 -21.8909 -21.8909 -21.8909 -21.5038 -21.5038 -21.5038 -21.5038 -16.1261 -16.1261 -16.1259 -16.1259 -15.6424 -15.6424 -15.6422 -15.6422 -7.4449 -7.4449 -7.4439 -7.4439 -7.1551 -7.1551 -7.1515 -7.1515 -6.0055 -6.0055 -6.0010 -6.0010 -4.6519 -4.6519 -4.6490 -4.6490 -4.1556 -4.1556 -4.1527 -4.1527 -3.8190 -3.8190 -3.8165 -3.8165 -1.3855 -1.3855 -1.3768 -1.3768 -1.0945 -1.0945 -1.0905 -1.0905 -0.4208 -0.4208 -0.4177 -0.4177 -0.1392 -0.1392 -0.1338 -0.1338 5.0995 5.0995 5.1008 5.1008 5.4848 5.4848 5.4880 5.4880 7.7280 7.7280 7.7325 7.7325 k = 0.0000 0.2436 0.2537 ( 4830 PWs) bands (ev): -21.8844 -21.8844 -21.8843 -21.8843 -21.5082 -21.5082 -21.5082 -21.5082 -16.1319 -16.1319 -16.1317 -16.1317 -15.6408 -15.6408 -15.6407 -15.6407 -7.4549 -7.4549 -7.4539 -7.4539 -7.1487 -7.1487 -7.1451 -7.1451 -6.0046 -6.0046 -6.0002 -6.0002 -4.6697 -4.6697 -4.6670 -4.6670 -4.1564 -4.1564 -4.1536 -4.1536 -3.8080 -3.8080 -3.8055 -3.8055 -1.3801 -1.3801 -1.3716 -1.3716 -1.0795 -1.0795 -1.0754 -1.0754 -0.4300 -0.4300 -0.4267 -0.4267 -0.1330 -0.1330 -0.1279 -0.1279 5.0866 5.0866 5.0878 5.0878 5.4824 5.4824 5.4854 5.4854 7.7841 7.7841 7.7887 7.7887 k = 0.0000 0.2564 0.2537 ( 4830 PWs) bands (ev): -21.8776 -21.8776 -21.8776 -21.8776 -21.5128 -21.5128 -21.5128 -21.5128 -16.1376 -16.1376 -16.1375 -16.1375 -15.6393 -15.6393 -15.6392 -15.6392 -7.4648 -7.4648 -7.4639 -7.4639 -7.1421 -7.1421 -7.1386 -7.1386 -6.0040 -6.0040 -5.9996 -5.9996 -4.6873 -4.6873 -4.6846 -4.6846 -4.1571 -4.1571 -4.1544 -4.1544 -3.7974 -3.7974 -3.7949 -3.7949 -1.3749 -1.3749 -1.3665 -1.3665 -1.0640 -1.0640 -1.0600 -1.0600 -0.4398 -0.4398 -0.4364 -0.4364 -0.1265 -0.1265 -0.1217 -0.1217 5.0746 5.0746 5.0758 5.0758 5.4795 5.4795 5.4825 5.4825 7.8412 7.8412 7.8459 7.8459 k = 0.0000 0.2692 0.2537 ( 4830 PWs) bands (ev): -21.8706 -21.8706 -21.8706 -21.8706 -21.5176 -21.5176 -21.5176 -21.5176 -16.1433 -16.1433 -16.1431 -16.1431 -15.6379 -15.6379 -15.6377 -15.6377 -7.4746 -7.4746 -7.4737 -7.4737 -7.1354 -7.1354 -7.1320 -7.1320 -6.0036 -6.0036 -5.9993 -5.9993 -4.7044 -4.7044 -4.7018 -4.7018 -4.1576 -4.1576 -4.1550 -4.1550 -3.7872 -3.7872 -3.7848 -3.7848 -1.3698 -1.3698 -1.3616 -1.3616 -1.0482 -1.0482 -1.0442 -1.0442 -0.4502 -0.4502 -0.4467 -0.4467 -0.1198 -0.1198 -0.1151 -0.1151 5.0636 5.0636 5.0648 5.0648 5.4763 5.4763 5.4792 5.4792 7.8992 7.8992 7.9039 7.9039 k = 0.0000 0.2821 0.2537 ( 4828 PWs) bands (ev): -21.8635 -21.8635 -21.8635 -21.8635 -21.5225 -21.5225 -21.5225 -21.5225 -16.1488 -16.1488 -16.1487 -16.1487 -15.6365 -15.6365 -15.6364 -15.6364 -7.4842 -7.4842 -7.4833 -7.4833 -7.1286 -7.1286 -7.1253 -7.1253 -6.0035 -6.0035 -5.9993 -5.9993 -4.7210 -4.7210 -4.7186 -4.7186 -4.1580 -4.1580 -4.1555 -4.1555 -3.7776 -3.7776 -3.7752 -3.7752 -1.3648 -1.3648 -1.3569 -1.3569 -1.0323 -1.0323 -1.0283 -1.0283 -0.4611 -0.4611 -0.4573 -0.4573 -0.1129 -0.1129 -0.1085 -0.1085 5.0537 5.0537 5.0548 5.0548 5.4728 5.4728 5.4756 5.4756 7.9579 7.9579 7.9626 7.9626 k = 0.0000 0.2949 0.2537 ( 4840 PWs) bands (ev): -21.8563 -21.8563 -21.8563 -21.8563 -21.5276 -21.5276 -21.5276 -21.5276 -16.1542 -16.1542 -16.1541 -16.1541 -15.6352 -15.6352 -15.6351 -15.6351 -7.4935 -7.4935 -7.4927 -7.4927 -7.1218 -7.1218 -7.1186 -7.1186 -6.0037 -6.0037 -5.9996 -5.9996 -4.7370 -4.7370 -4.7348 -4.7348 -4.1583 -4.1583 -4.1559 -4.1559 -3.7684 -3.7684 -3.7661 -3.7661 -1.3599 -1.3599 -1.3523 -1.3523 -1.0163 -1.0163 -1.0123 -1.0123 -0.4722 -0.4722 -0.4684 -0.4684 -0.1059 -0.1059 -0.1018 -0.1018 5.0448 5.0448 5.0459 5.0459 5.4691 5.4691 5.4718 5.4718 8.0171 8.0171 8.0217 8.0217 k = 0.0000 0.3077 0.2537 ( 4838 PWs) bands (ev): -21.8490 -21.8490 -21.8490 -21.8490 -21.5328 -21.5328 -21.5328 -21.5328 -16.1595 -16.1595 -16.1593 -16.1593 -15.6340 -15.6340 -15.6339 -15.6339 -7.5025 -7.5025 -7.5017 -7.5017 -7.1150 -7.1150 -7.1119 -7.1119 -6.0040 -6.0040 -6.0001 -6.0001 -4.7524 -4.7524 -4.7503 -4.7503 -4.1584 -4.1584 -4.1562 -4.1562 -3.7597 -3.7597 -3.7575 -3.7575 -1.3553 -1.3553 -1.3480 -1.3480 -1.0003 -1.0003 -0.9963 -0.9963 -0.4836 -0.4836 -0.4796 -0.4796 -0.0990 -0.0990 -0.0951 -0.0951 5.0369 5.0369 5.0380 5.0380 5.4651 5.4651 5.4677 5.4677 8.0766 8.0766 8.0813 8.0813 k = 0.0000 0.3205 0.2537 ( 4830 PWs) bands (ev): -21.8417 -21.8417 -21.8416 -21.8416 -21.5381 -21.5381 -21.5381 -21.5381 -16.1645 -16.1645 -16.1644 -16.1644 -15.6329 -15.6329 -15.6328 -15.6328 -7.5112 -7.5112 -7.5104 -7.5104 -7.1083 -7.1083 -7.1053 -7.1053 -6.0046 -6.0046 -6.0008 -6.0008 -4.7671 -4.7671 -4.7651 -4.7651 -4.1585 -4.1585 -4.1564 -4.1564 -3.7514 -3.7514 -3.7494 -3.7494 -1.3507 -1.3507 -1.3438 -1.3438 -0.9844 -0.9844 -0.9805 -0.9805 -0.4951 -0.4951 -0.4910 -0.4910 -0.0921 -0.0921 -0.0885 -0.0885 5.0301 5.0301 5.0311 5.0311 5.4609 5.4609 5.4634 5.4634 8.1363 8.1363 8.1409 8.1409 k = 0.0000 0.3333 0.2537 ( 4842 PWs) bands (ev): -21.8343 -21.8343 -21.8343 -21.8343 -21.5435 -21.5435 -21.5435 -21.5435 -16.1693 -16.1693 -16.1692 -16.1692 -15.6319 -15.6319 -15.6318 -15.6318 -7.5194 -7.5194 -7.5187 -7.5187 -7.1017 -7.1017 -7.0989 -7.0989 -6.0054 -6.0054 -6.0017 -6.0017 -4.7810 -4.7810 -4.7791 -4.7791 -4.1585 -4.1585 -4.1566 -4.1566 -3.7438 -3.7438 -3.7418 -3.7418 -1.3464 -1.3464 -1.3398 -1.3398 -0.9688 -0.9688 -0.9649 -0.9649 -0.5067 -0.5067 -0.5025 -0.5025 -0.0855 -0.0855 -0.0821 -0.0821 5.0242 5.0242 5.0252 5.0252 5.4565 5.4565 5.4589 5.4589 8.1959 8.1959 8.2005 8.2005 k = 0.0000 0.3462 0.2537 ( 4840 PWs) bands (ev): -21.8270 -21.8270 -21.8270 -21.8270 -21.5490 -21.5490 -21.5490 -21.5490 -16.1738 -16.1738 -16.1737 -16.1737 -15.6310 -15.6310 -15.6309 -15.6309 -7.5272 -7.5272 -7.5266 -7.5266 -7.0953 -7.0953 -7.0926 -7.0926 -6.0063 -6.0063 -6.0029 -6.0029 -4.7941 -4.7941 -4.7924 -4.7924 -4.1585 -4.1585 -4.1566 -4.1566 -3.7366 -3.7366 -3.7348 -3.7348 -1.3422 -1.3422 -1.3361 -1.3361 -0.9535 -0.9535 -0.9496 -0.9496 -0.5182 -0.5182 -0.5139 -0.5139 -0.0791 -0.0791 -0.0759 -0.0759 5.0192 5.0192 5.0202 5.0202 5.4521 5.4521 5.4543 5.4543 8.2553 8.2553 8.2598 8.2598 k = 0.0000 0.3590 0.2537 ( 4840 PWs) bands (ev): -21.8199 -21.8199 -21.8198 -21.8198 -21.5544 -21.5544 -21.5544 -21.5544 -16.1781 -16.1781 -16.1780 -16.1780 -15.6301 -15.6301 -15.6300 -15.6300 -7.5345 -7.5345 -7.5340 -7.5340 -7.0891 -7.0891 -7.0866 -7.0866 -6.0073 -6.0073 -6.0041 -6.0041 -4.8063 -4.8063 -4.8047 -4.8047 -4.1583 -4.1583 -4.1567 -4.1567 -3.7300 -3.7300 -3.7282 -3.7282 -1.3383 -1.3383 -1.3325 -1.3325 -0.9387 -0.9387 -0.9348 -0.9348 -0.5295 -0.5295 -0.5252 -0.5252 -0.0730 -0.0730 -0.0700 -0.0700 5.0151 5.0151 5.0161 5.0161 5.4476 5.4476 5.4497 5.4497 8.3141 8.3141 8.3186 8.3186 k = 0.0000 0.3718 0.2537 ( 4846 PWs) bands (ev): -21.8128 -21.8128 -21.8128 -21.8128 -21.5598 -21.5598 -21.5598 -21.5598 -16.1820 -16.1820 -16.1819 -16.1819 -15.6293 -15.6293 -15.6293 -15.6293 -7.5413 -7.5413 -7.5408 -7.5408 -7.0832 -7.0832 -7.0809 -7.0809 -6.0085 -6.0085 -6.0055 -6.0055 -4.8176 -4.8176 -4.8161 -4.8161 -4.1582 -4.1582 -4.1567 -4.1567 -3.7239 -3.7239 -3.7223 -3.7223 -1.3346 -1.3346 -1.3292 -1.3292 -0.9244 -0.9244 -0.9206 -0.9206 -0.5405 -0.5405 -0.5362 -0.5362 -0.0673 -0.0673 -0.0646 -0.0646 5.0118 5.0118 5.0127 5.0127 5.4432 5.4432 5.4452 5.4452 8.3721 8.3721 8.3764 8.3764 k = 0.0000 0.3846 0.2537 ( 4830 PWs) bands (ev): -21.8060 -21.8060 -21.8060 -21.8060 -21.5650 -21.5650 -21.5650 -21.5650 -16.1856 -16.1856 -16.1856 -16.1856 -15.6286 -15.6286 -15.6286 -15.6286 -7.5476 -7.5476 -7.5471 -7.5471 -7.0776 -7.0776 -7.0755 -7.0755 -6.0097 -6.0097 -6.0069 -6.0069 -4.8279 -4.8279 -4.8266 -4.8266 -4.1580 -4.1580 -4.1566 -4.1566 -3.7183 -3.7183 -3.7169 -3.7169 -1.3311 -1.3311 -1.3262 -1.3262 -0.9108 -0.9108 -0.9071 -0.9071 -0.5511 -0.5511 -0.5469 -0.5469 -0.0620 -0.0620 -0.0595 -0.0595 5.0093 5.0093 5.0101 5.0101 5.4389 5.4389 5.4407 5.4407 8.4288 8.4288 8.4330 8.4330 k = 0.0000 0.3974 0.2537 ( 4830 PWs) bands (ev): -21.7995 -21.7995 -21.7995 -21.7995 -21.5701 -21.5701 -21.5701 -21.5701 -16.1889 -16.1889 -16.1889 -16.1889 -15.6280 -15.6280 -15.6280 -15.6280 -7.5532 -7.5532 -7.5528 -7.5528 -7.0725 -7.0725 -7.0706 -7.0706 -6.0109 -6.0109 -6.0084 -6.0084 -4.8372 -4.8372 -4.8360 -4.8360 -4.1578 -4.1578 -4.1566 -4.1566 -3.7133 -3.7133 -3.7120 -3.7120 -1.3279 -1.3279 -1.3235 -1.3235 -0.8980 -0.8980 -0.8943 -0.8943 -0.5612 -0.5612 -0.5571 -0.5571 -0.0571 -0.0571 -0.0549 -0.0549 5.0073 5.0073 5.0080 5.0080 5.4348 5.4348 5.4364 5.4364 8.4838 8.4838 8.4878 8.4878 k = 0.0000 0.4103 0.2537 ( 4834 PWs) bands (ev): -21.7935 -21.7935 -21.7934 -21.7934 -21.5750 -21.5750 -21.5750 -21.5750 -16.1919 -16.1919 -16.1918 -16.1918 -15.6275 -15.6275 -15.6274 -15.6274 -7.5583 -7.5583 -7.5579 -7.5579 -7.0678 -7.0678 -7.0661 -7.0661 -6.0120 -6.0120 -6.0098 -6.0098 -4.8454 -4.8454 -4.8444 -4.8444 -4.1576 -4.1576 -4.1565 -4.1565 -3.7089 -3.7089 -3.7077 -3.7077 -1.3249 -1.3249 -1.3210 -1.3210 -0.8860 -0.8860 -0.8826 -0.8826 -0.5707 -0.5707 -0.5668 -0.5668 -0.0527 -0.0527 -0.0507 -0.0507 5.0058 5.0058 5.0065 5.0065 5.4309 5.4309 5.4324 5.4324 8.5364 8.5364 8.5402 8.5402 k = 0.0000 0.4231 0.2537 ( 4834 PWs) bands (ev): -21.7878 -21.7878 -21.7878 -21.7878 -21.5795 -21.5795 -21.5795 -21.5795 -16.1945 -16.1945 -16.1944 -16.1944 -15.6270 -15.6270 -15.6270 -15.6270 -7.5627 -7.5627 -7.5623 -7.5623 -7.0636 -7.0636 -7.0621 -7.0621 -6.0131 -6.0131 -6.0112 -6.0112 -4.8527 -4.8527 -4.8518 -4.8518 -4.1574 -4.1574 -4.1564 -4.1564 -3.7051 -3.7051 -3.7040 -3.7040 -1.3223 -1.3223 -1.3189 -1.3189 -0.8751 -0.8751 -0.8719 -0.8719 -0.5793 -0.5793 -0.5757 -0.5757 -0.0488 -0.0488 -0.0471 -0.0471 5.0048 5.0048 5.0054 5.0054 5.4274 5.4274 5.4287 5.4287 8.5859 8.5859 8.5895 8.5895 k = 0.0000 0.4359 0.2537 ( 4842 PWs) bands (ev): -21.7828 -21.7828 -21.7828 -21.7828 -21.5836 -21.5836 -21.5836 -21.5836 -16.1967 -16.1967 -16.1966 -16.1966 -15.6267 -15.6267 -15.6266 -15.6266 -7.5664 -7.5664 -7.5662 -7.5662 -7.0599 -7.0599 -7.0587 -7.0587 -6.0141 -6.0141 -6.0124 -6.0124 -4.8588 -4.8588 -4.8581 -4.8581 -4.1572 -4.1572 -4.1564 -4.1564 -3.7018 -3.7018 -3.7009 -3.7009 -1.3200 -1.3200 -1.3172 -1.3172 -0.8654 -0.8654 -0.8625 -0.8625 -0.5871 -0.5871 -0.5838 -0.5838 -0.0455 -0.0455 -0.0440 -0.0440 5.0042 5.0042 5.0047 5.0047 5.4243 5.4243 5.4254 5.4254 8.6314 8.6314 8.6345 8.6345 k = 0.0000 0.4487 0.2537 ( 4850 PWs) bands (ev): -21.7785 -21.7785 -21.7785 -21.7785 -21.5871 -21.5871 -21.5871 -21.5871 -16.1985 -16.1985 -16.1985 -16.1985 -15.6264 -15.6264 -15.6263 -15.6263 -7.5695 -7.5695 -7.5693 -7.5693 -7.0569 -7.0569 -7.0559 -7.0559 -6.0149 -6.0149 -6.0136 -6.0136 -4.8638 -4.8638 -4.8633 -4.8633 -4.1570 -4.1570 -4.1564 -4.1564 -3.6991 -3.6991 -3.6984 -3.6984 -1.3180 -1.3180 -1.3157 -1.3157 -0.8571 -0.8571 -0.8546 -0.8546 -0.5936 -0.5936 -0.5909 -0.5909 -0.0427 -0.0427 -0.0415 -0.0415 5.0037 5.0037 5.0042 5.0042 5.4216 5.4216 5.4225 5.4225 8.6716 8.6716 8.6743 8.6743 k = 0.0000 0.4615 0.2537 ( 4842 PWs) bands (ev): -21.7750 -21.7750 -21.7750 -21.7750 -21.5900 -21.5900 -21.5900 -21.5900 -16.1999 -16.1999 -16.1999 -16.1999 -15.6261 -15.6261 -15.6261 -15.6261 -7.5719 -7.5719 -7.5718 -7.5718 -7.0544 -7.0544 -7.0536 -7.0536 -6.0155 -6.0155 -6.0145 -6.0145 -4.8677 -4.8677 -4.8673 -4.8673 -4.1568 -4.1568 -4.1564 -4.1564 -3.6969 -3.6969 -3.6964 -3.6964 -1.3164 -1.3164 -1.3147 -1.3147 -0.8502 -0.8502 -0.8482 -0.8482 -0.5989 -0.5989 -0.5967 -0.5967 -0.0404 -0.0404 -0.0396 -0.0396 5.0035 5.0035 5.0039 5.0039 5.4195 5.4195 5.4202 5.4202 8.7053 8.7053 8.7074 8.7074 k = 0.0000 0.4744 0.2537 ( 4840 PWs) bands (ev): -21.7724 -21.7724 -21.7724 -21.7724 -21.5922 -21.5922 -21.5922 -21.5922 -16.2009 -16.2009 -16.2009 -16.2009 -15.6259 -15.6259 -15.6259 -15.6259 -7.5737 -7.5737 -7.5735 -7.5735 -7.0526 -7.0526 -7.0521 -7.0521 -6.0159 -6.0159 -6.0153 -6.0153 -4.8705 -4.8705 -4.8702 -4.8702 -4.1567 -4.1567 -4.1564 -4.1564 -3.6954 -3.6954 -3.6950 -3.6950 -1.3151 -1.3151 -1.3140 -1.3140 -0.8450 -0.8450 -0.8437 -0.8437 -0.6027 -0.6027 -0.6011 -0.6011 -0.0388 -0.0388 -0.0382 -0.0382 5.0034 5.0034 5.0037 5.0037 5.4180 5.4180 5.4185 5.4185 8.7309 8.7309 8.7324 8.7324 k = 0.0000 0.4872 0.2537 ( 4840 PWs) bands (ev): -21.7708 -21.7708 -21.7708 -21.7708 -21.5935 -21.5935 -21.5935 -21.5935 -16.2015 -16.2015 -16.2015 -16.2015 -15.6258 -15.6258 -15.6258 -15.6258 -7.5747 -7.5747 -7.5746 -7.5746 -7.0514 -7.0514 -7.0512 -7.0512 -6.0161 -6.0161 -6.0158 -6.0158 -4.8722 -4.8722 -4.8720 -4.8720 -4.1566 -4.1566 -4.1564 -4.1564 -3.6944 -3.6944 -3.6942 -3.6942 -1.3143 -1.3143 -1.3137 -1.3137 -0.8417 -0.8417 -0.8410 -0.8410 -0.6048 -0.6048 -0.6041 -0.6041 -0.0377 -0.0377 -0.0374 -0.0374 5.0034 5.0034 5.0035 5.0035 5.4171 5.4171 5.4174 5.4174 8.7471 8.7471 8.7479 8.7479 k = 0.0000 0.5000 0.2537 ( 4840 PWs) bands (ev): -21.7702 -21.7702 -21.7702 -21.7702 -21.5940 -21.5940 -21.5940 -21.5940 -16.2017 -16.2017 -16.2017 -16.2017 -15.6258 -15.6258 -15.6258 -15.6258 -7.5750 -7.5750 -7.5750 -7.5750 -7.0510 -7.0510 -7.0510 -7.0510 -6.0161 -6.0161 -6.0161 -6.0161 -4.8727 -4.8727 -4.8727 -4.8727 -4.1565 -4.1565 -4.1565 -4.1565 -3.6940 -3.6940 -3.6940 -3.6940 -1.3138 -1.3138 -1.3138 -1.3138 -0.8403 -0.8403 -0.8403 -0.8403 -0.6053 -0.6053 -0.6053 -0.6053 -0.0373 -0.0373 -0.0373 -0.0373 5.0035 5.0035 5.0035 5.0035 5.4169 5.4169 5.4169 5.4169 8.7529 8.7529 8.7529 8.7529 k = 0.0000 0.5000 0.2537 ( 4840 PWs) bands (ev): -21.7702 -21.7702 -21.7702 -21.7702 -21.5940 -21.5940 -21.5940 -21.5940 -16.2017 -16.2017 -16.2017 -16.2017 -15.6258 -15.6258 -15.6258 -15.6258 -7.5750 -7.5750 -7.5750 -7.5750 -7.0510 -7.0510 -7.0510 -7.0510 -6.0161 -6.0161 -6.0161 -6.0161 -4.8727 -4.8727 -4.8727 -4.8727 -4.1565 -4.1565 -4.1565 -4.1565 -3.6940 -3.6940 -3.6940 -3.6940 -1.3138 -1.3138 -1.3138 -1.3138 -0.8403 -0.8403 -0.8403 -0.8403 -0.6053 -0.6053 -0.6053 -0.6053 -0.0373 -0.0373 -0.0373 -0.0373 5.0035 5.0035 5.0035 5.0035 5.4169 5.4169 5.4169 5.4169 8.7529 8.7529 8.7529 8.7529 k = 0.0128 0.5000 0.2537 ( 4840 PWs) bands (ev): -21.7701 -21.7701 -21.7701 -21.7701 -21.5940 -21.5940 -21.5940 -21.5940 -16.2016 -16.2016 -16.2016 -16.2016 -15.6261 -15.6261 -15.6261 -15.6261 -7.5749 -7.5749 -7.5748 -7.5748 -7.0513 -7.0513 -7.0512 -7.0512 -6.0157 -6.0157 -6.0157 -6.0157 -4.8737 -4.8737 -4.8734 -4.8734 -4.1565 -4.1565 -4.1561 -4.1561 -3.6946 -3.6946 -3.6945 -3.6945 -1.3133 -1.3133 -1.3131 -1.3131 -0.8398 -0.8398 -0.8398 -0.8398 -0.6048 -0.6048 -0.6046 -0.6046 -0.0376 -0.0376 -0.0376 -0.0376 5.0035 5.0035 5.0036 5.0036 5.4170 5.4170 5.4172 5.4172 8.7534 8.7534 8.7535 8.7535 k = 0.0256 0.5000 0.2537 ( 4836 PWs) bands (ev): -21.7698 -21.7698 -21.7698 -21.7698 -21.5940 -21.5940 -21.5940 -21.5940 -16.2013 -16.2013 -16.2012 -16.2012 -15.6272 -15.6272 -15.6272 -15.6272 -7.5745 -7.5745 -7.5742 -7.5742 -7.0521 -7.0521 -7.0520 -7.0520 -6.0147 -6.0147 -6.0145 -6.0145 -4.8767 -4.8767 -4.8760 -4.8760 -4.1562 -4.1562 -4.1554 -4.1554 -3.6964 -3.6964 -3.6960 -3.6960 -1.3115 -1.3115 -1.3111 -1.3111 -0.8383 -0.8383 -0.8382 -0.8382 -0.6030 -0.6030 -0.6027 -0.6027 -0.0385 -0.0385 -0.0384 -0.0384 5.0036 5.0036 5.0039 5.0039 5.4175 5.4175 5.4178 5.4178 8.7552 8.7552 8.7553 8.7553 k = 0.0385 0.5000 0.2537 ( 4832 PWs) bands (ev): -21.7692 -21.7692 -21.7691 -21.7691 -21.5941 -21.5941 -21.5941 -21.5941 -16.2006 -16.2006 -16.2006 -16.2006 -15.6289 -15.6289 -15.6289 -15.6289 -7.5738 -7.5738 -7.5733 -7.5733 -7.0535 -7.0535 -7.0533 -7.0533 -6.0129 -6.0129 -6.0127 -6.0127 -4.8814 -4.8814 -4.8804 -4.8804 -4.1555 -4.1555 -4.1543 -4.1543 -3.6991 -3.6991 -3.6987 -3.6987 -1.3086 -1.3086 -1.3079 -1.3079 -0.8358 -0.8358 -0.8355 -0.8355 -0.6001 -0.6001 -0.5997 -0.5997 -0.0400 -0.0400 -0.0399 -0.0399 5.0040 5.0040 5.0043 5.0043 5.4183 5.4183 5.4187 5.4187 8.7581 8.7581 8.7584 8.7584 k = 0.0513 0.5000 0.2537 ( 4840 PWs) bands (ev): -21.7683 -21.7683 -21.7683 -21.7683 -21.5942 -21.5942 -21.5942 -21.5942 -16.1998 -16.1998 -16.1998 -16.1998 -15.6314 -15.6314 -15.6313 -15.6313 -7.5727 -7.5727 -7.5721 -7.5721 -7.0554 -7.0554 -7.0551 -7.0551 -6.0103 -6.0103 -6.0101 -6.0101 -4.8879 -4.8879 -4.8866 -4.8866 -4.1545 -4.1545 -4.1530 -4.1530 -3.7030 -3.7030 -3.7024 -3.7024 -1.3044 -1.3044 -1.3035 -1.3035 -0.8322 -0.8322 -0.8319 -0.8319 -0.5961 -0.5961 -0.5954 -0.5954 -0.0421 -0.0421 -0.0419 -0.0419 5.0045 5.0045 5.0049 5.0049 5.4194 5.4194 5.4199 5.4199 8.7622 8.7622 8.7625 8.7625 k = 0.0641 0.5000 0.2537 ( 4840 PWs) bands (ev): -21.7672 -21.7672 -21.7672 -21.7672 -21.5944 -21.5944 -21.5944 -21.5944 -16.1987 -16.1987 -16.1987 -16.1987 -15.6345 -15.6345 -15.6345 -15.6345 -7.5713 -7.5713 -7.5706 -7.5706 -7.0578 -7.0578 -7.0575 -7.0575 -6.0071 -6.0071 -6.0068 -6.0068 -4.8961 -4.8961 -4.8945 -4.8945 -4.1532 -4.1532 -4.1513 -4.1513 -3.7078 -3.7078 -3.7071 -3.7071 -1.2990 -1.2990 -1.2980 -1.2980 -0.8277 -0.8277 -0.8273 -0.8273 -0.5908 -0.5908 -0.5900 -0.5900 -0.0448 -0.0448 -0.0446 -0.0446 5.0051 5.0051 5.0057 5.0057 5.4208 5.4208 5.4215 5.4215 8.7675 8.7675 8.7679 8.7679 k = 0.0769 0.5000 0.2537 ( 4836 PWs) bands (ev): -21.7659 -21.7659 -21.7659 -21.7659 -21.5946 -21.5946 -21.5946 -21.5946 -16.1973 -16.1973 -16.1973 -16.1973 -15.6383 -15.6383 -15.6382 -15.6382 -7.5695 -7.5695 -7.5687 -7.5687 -7.0608 -7.0608 -7.0603 -7.0603 -6.0032 -6.0032 -6.0028 -6.0028 -4.9060 -4.9060 -4.9042 -4.9042 -4.1517 -4.1517 -4.1494 -4.1494 -3.7136 -3.7136 -3.7127 -3.7127 -1.2925 -1.2925 -1.2912 -1.2912 -0.8223 -0.8223 -0.8218 -0.8218 -0.5845 -0.5845 -0.5836 -0.5836 -0.0480 -0.0480 -0.0477 -0.0477 5.0061 5.0061 5.0068 5.0068 5.4226 5.4226 5.4233 5.4233 8.7739 8.7739 8.7744 8.7744 k = 0.0897 0.5000 0.2537 ( 4844 PWs) bands (ev): -21.7644 -21.7644 -21.7644 -21.7644 -21.5948 -21.5948 -21.5948 -21.5948 -16.1957 -16.1957 -16.1957 -16.1957 -15.6427 -15.6427 -15.6427 -15.6427 -7.5675 -7.5675 -7.5665 -7.5665 -7.0642 -7.0642 -7.0637 -7.0637 -5.9986 -5.9986 -5.9982 -5.9982 -4.9175 -4.9175 -4.9154 -4.9154 -4.1498 -4.1498 -4.1472 -4.1472 -3.7204 -3.7204 -3.7193 -3.7193 -1.2849 -1.2849 -1.2834 -1.2834 -0.8160 -0.8160 -0.8155 -0.8155 -0.5772 -0.5772 -0.5761 -0.5761 -0.0517 -0.0517 -0.0514 -0.0514 5.0072 5.0072 5.0080 5.0080 5.4245 5.4245 5.4254 5.4254 8.7816 8.7816 8.7822 8.7822 k = 0.1026 0.5000 0.2537 ( 4840 PWs) bands (ev): -21.7626 -21.7626 -21.7626 -21.7626 -21.5951 -21.5951 -21.5951 -21.5951 -16.1938 -16.1938 -16.1938 -16.1938 -15.6478 -15.6478 -15.6478 -15.6478 -7.5650 -7.5650 -7.5640 -7.5640 -7.0681 -7.0681 -7.0675 -7.0675 -5.9933 -5.9933 -5.9929 -5.9929 -4.9305 -4.9305 -4.9282 -4.9282 -4.1477 -4.1477 -4.1448 -4.1448 -3.7280 -3.7280 -3.7268 -3.7268 -1.2761 -1.2761 -1.2745 -1.2745 -0.8090 -0.8090 -0.8084 -0.8084 -0.5688 -0.5688 -0.5675 -0.5675 -0.0559 -0.0559 -0.0557 -0.0557 5.0087 5.0087 5.0096 5.0096 5.4267 5.4267 5.4277 5.4277 8.7904 8.7904 8.7911 8.7911 k = 0.1154 0.5000 0.2537 ( 4836 PWs) bands (ev): -21.7606 -21.7606 -21.7606 -21.7606 -21.5954 -21.5954 -21.5954 -21.5954 -16.1917 -16.1917 -16.1917 -16.1917 -15.6535 -15.6535 -15.6535 -15.6535 -7.5622 -7.5622 -7.5611 -7.5611 -7.0724 -7.0724 -7.0718 -7.0718 -5.9874 -5.9874 -5.9870 -5.9870 -4.9449 -4.9449 -4.9425 -4.9425 -4.1454 -4.1454 -4.1422 -4.1422 -3.7364 -3.7364 -3.7350 -3.7350 -1.2663 -1.2663 -1.2645 -1.2645 -0.8012 -0.8012 -0.8007 -0.8007 -0.5595 -0.5595 -0.5581 -0.5581 -0.0607 -0.0607 -0.0604 -0.0604 5.0106 5.0106 5.0116 5.0116 5.4291 5.4291 5.4302 5.4302 8.8005 8.8005 8.8012 8.8012 k = 0.1282 0.5000 0.2537 ( 4844 PWs) bands (ev): -21.7585 -21.7585 -21.7584 -21.7584 -21.5958 -21.5958 -21.5958 -21.5958 -16.1893 -16.1893 -16.1893 -16.1893 -15.6599 -15.6599 -15.6598 -15.6598 -7.5591 -7.5591 -7.5578 -7.5578 -7.0772 -7.0772 -7.0766 -7.0766 -5.9809 -5.9809 -5.9804 -5.9804 -4.9608 -4.9608 -4.9581 -4.9581 -4.1429 -4.1429 -4.1394 -4.1394 -3.7455 -3.7455 -3.7440 -3.7440 -1.2556 -1.2556 -1.2535 -1.2535 -0.7929 -0.7929 -0.7923 -0.7923 -0.5494 -0.5494 -0.5478 -0.5478 -0.0659 -0.0659 -0.0656 -0.0656 5.0128 5.0128 5.0139 5.0139 5.4316 5.4316 5.4329 5.4329 8.8117 8.8117 8.8124 8.8124 k = 0.1410 0.5000 0.2537 ( 4840 PWs) bands (ev): -21.7561 -21.7561 -21.7560 -21.7560 -21.5962 -21.5962 -21.5962 -21.5962 -16.1866 -16.1866 -16.1866 -16.1866 -15.6668 -15.6668 -15.6667 -15.6667 -7.5556 -7.5556 -7.5542 -7.5542 -7.0825 -7.0825 -7.0817 -7.0817 -5.9739 -5.9739 -5.9734 -5.9734 -4.9779 -4.9779 -4.9750 -4.9750 -4.1402 -4.1402 -4.1365 -4.1365 -3.7553 -3.7553 -3.7536 -3.7536 -1.2439 -1.2439 -1.2416 -1.2416 -0.7841 -0.7841 -0.7834 -0.7834 -0.5385 -0.5385 -0.5367 -0.5367 -0.0715 -0.0715 -0.0712 -0.0712 5.0155 5.0155 5.0167 5.0167 5.4343 5.4343 5.4356 5.4356 8.8241 8.8241 8.8249 8.8249 k = 0.1538 0.5000 0.2537 ( 4844 PWs) bands (ev): -21.7535 -21.7535 -21.7535 -21.7535 -21.5967 -21.5967 -21.5967 -21.5967 -16.1837 -16.1837 -16.1836 -16.1836 -15.6743 -15.6743 -15.6742 -15.6742 -7.5517 -7.5517 -7.5502 -7.5502 -7.0881 -7.0881 -7.0873 -7.0873 -5.9663 -5.9663 -5.9657 -5.9657 -4.9961 -4.9961 -4.9932 -4.9932 -4.1373 -4.1373 -4.1334 -4.1334 -3.7656 -3.7656 -3.7638 -3.7638 -1.2313 -1.2313 -1.2289 -1.2289 -0.7748 -0.7748 -0.7742 -0.7742 -0.5268 -0.5268 -0.5250 -0.5250 -0.0775 -0.0775 -0.0772 -0.0772 5.0186 5.0186 5.0199 5.0199 5.4370 5.4370 5.4384 5.4384 8.8377 8.8377 8.8385 8.8385 k = 0.1667 0.5000 0.2537 ( 4832 PWs) bands (ev): -21.7507 -21.7507 -21.7507 -21.7507 -21.5973 -21.5973 -21.5973 -21.5973 -16.1804 -16.1804 -16.1804 -16.1804 -15.6823 -15.6823 -15.6822 -15.6822 -7.5474 -7.5474 -7.5458 -7.5458 -7.0941 -7.0941 -7.0932 -7.0932 -5.9581 -5.9581 -5.9576 -5.9576 -5.0154 -5.0154 -5.0124 -5.0124 -4.1343 -4.1343 -4.1303 -4.1303 -3.7765 -3.7765 -3.7745 -3.7745 -1.2179 -1.2179 -1.2153 -1.2153 -0.7652 -0.7652 -0.7647 -0.7647 -0.5146 -0.5146 -0.5125 -0.5125 -0.0838 -0.0838 -0.0836 -0.0836 5.0224 5.0224 5.0238 5.0238 5.4397 5.4397 5.4412 5.4412 8.8525 8.8525 8.8533 8.8533 k = 0.1795 0.5000 0.2537 ( 4840 PWs) bands (ev): -21.7477 -21.7477 -21.7477 -21.7477 -21.5979 -21.5979 -21.5979 -21.5979 -16.1769 -16.1769 -16.1769 -16.1769 -15.6909 -15.6909 -15.6908 -15.6908 -7.5428 -7.5428 -7.5410 -7.5410 -7.1004 -7.1004 -7.0995 -7.0995 -5.9495 -5.9495 -5.9490 -5.9490 -5.0358 -5.0358 -5.0326 -5.0326 -4.1313 -4.1313 -4.1270 -4.1270 -3.7878 -3.7878 -3.7857 -3.7857 -1.2037 -1.2037 -1.2009 -1.2009 -0.7555 -0.7555 -0.7550 -0.7550 -0.5018 -0.5018 -0.4996 -0.4996 -0.0905 -0.0905 -0.0903 -0.0903 5.0267 5.0267 5.0281 5.0281 5.4423 5.4423 5.4439 5.4439 8.8684 8.8684 8.8692 8.8692 k = 0.1923 0.5000 0.2537 ( 4844 PWs) bands (ev): -21.7446 -21.7446 -21.7446 -21.7446 -21.5986 -21.5986 -21.5986 -21.5986 -16.1731 -16.1731 -16.1730 -16.1730 -15.6999 -15.6999 -15.6998 -15.6998 -7.5377 -7.5377 -7.5359 -7.5359 -7.1071 -7.1071 -7.1061 -7.1061 -5.9404 -5.9404 -5.9399 -5.9399 -5.0570 -5.0570 -5.0537 -5.0537 -4.1281 -4.1281 -4.1237 -4.1237 -3.7994 -3.7994 -3.7972 -3.7972 -1.1888 -1.1888 -1.1859 -1.1859 -0.7458 -0.7458 -0.7453 -0.7453 -0.4886 -0.4886 -0.4862 -0.4862 -0.0973 -0.0973 -0.0972 -0.0972 5.0316 5.0316 5.0331 5.0331 5.4448 5.4448 5.4465 5.4465 8.8856 8.8856 8.8864 8.8864 k = 0.2051 0.5000 0.2537 ( 4836 PWs) bands (ev): -21.7413 -21.7413 -21.7413 -21.7413 -21.5994 -21.5994 -21.5994 -21.5994 -16.1690 -16.1690 -16.1689 -16.1689 -15.7094 -15.7094 -15.7093 -15.7093 -7.5323 -7.5323 -7.5304 -7.5304 -7.1141 -7.1141 -7.1130 -7.1130 -5.9309 -5.9309 -5.9304 -5.9304 -5.0789 -5.0789 -5.0757 -5.0757 -4.1249 -4.1249 -4.1203 -4.1203 -3.8113 -3.8113 -3.8089 -3.8089 -1.1733 -1.1733 -1.1702 -1.1702 -0.7360 -0.7360 -0.7356 -0.7356 -0.4749 -0.4749 -0.4725 -0.4725 -0.1044 -0.1044 -0.1044 -0.1044 5.0373 5.0373 5.0388 5.0388 5.4472 5.4472 5.4489 5.4489 8.9040 8.9040 8.9047 8.9047 k = 0.2179 0.5000 0.2537 ( 4844 PWs) bands (ev): -21.7379 -21.7379 -21.7379 -21.7379 -21.6003 -21.6003 -21.6003 -21.6003 -16.1646 -16.1646 -16.1645 -16.1645 -15.7193 -15.7193 -15.7192 -15.7192 -7.5265 -7.5265 -7.5246 -7.5246 -7.1214 -7.1214 -7.1202 -7.1202 -5.9210 -5.9210 -5.9205 -5.9205 -5.1016 -5.1016 -5.0983 -5.0983 -4.1216 -4.1216 -4.1169 -4.1169 -3.8233 -3.8233 -3.8208 -3.8208 -1.1572 -1.1572 -1.1539 -1.1539 -0.7265 -0.7265 -0.7262 -0.7262 -0.4611 -0.4611 -0.4584 -0.4584 -0.1117 -0.1117 -0.1116 -0.1116 5.0436 5.0436 5.0452 5.0452 5.4493 5.4493 5.4511 5.4511 8.9235 8.9235 8.9243 8.9243 k = 0.2308 0.5000 0.2537 ( 4840 PWs) bands (ev): -21.7343 -21.7343 -21.7343 -21.7343 -21.6013 -21.6013 -21.6012 -21.6012 -16.1598 -16.1598 -16.1597 -16.1597 -15.7297 -15.7297 -15.7296 -15.7296 -7.5204 -7.5204 -7.5183 -7.5183 -7.1289 -7.1289 -7.1277 -7.1277 -5.9106 -5.9106 -5.9102 -5.9102 -5.1248 -5.1248 -5.1215 -5.1215 -4.1182 -4.1182 -4.1135 -4.1135 -3.8355 -3.8355 -3.8329 -3.8329 -1.1405 -1.1405 -1.1371 -1.1371 -0.7173 -0.7173 -0.7171 -0.7171 -0.4470 -0.4470 -0.4443 -0.4443 -0.1191 -0.1191 -0.1189 -0.1189 5.0507 5.0507 5.0523 5.0523 5.4511 5.4511 5.4530 5.4530 8.9443 8.9443 8.9450 8.9450 k = 0.2436 0.5000 0.2537 ( 4832 PWs) bands (ev): -21.7307 -21.7307 -21.7306 -21.7306 -21.6023 -21.6023 -21.6023 -21.6023 -16.1548 -16.1548 -16.1547 -16.1547 -15.7404 -15.7404 -15.7403 -15.7403 -7.5138 -7.5138 -7.5117 -7.5117 -7.1367 -7.1367 -7.1355 -7.1355 -5.8999 -5.8999 -5.8995 -5.8995 -5.1486 -5.1486 -5.1452 -5.1452 -4.1149 -4.1149 -4.1100 -4.1100 -3.8477 -3.8477 -3.8449 -3.8449 -1.1234 -1.1234 -1.1198 -1.1198 -0.7086 -0.7086 -0.7085 -0.7085 -0.4329 -0.4329 -0.4300 -0.4300 -0.1265 -0.1265 -0.1262 -0.1262 5.0585 5.0585 5.0602 5.0602 5.4525 5.4525 5.4545 5.4545 8.9662 8.9662 8.9669 8.9669 k = 0.2564 0.5000 0.2537 ( 4832 PWs) bands (ev): -21.7269 -21.7269 -21.7268 -21.7268 -21.6035 -21.6035 -21.6035 -21.6035 -16.1494 -16.1494 -16.1493 -16.1493 -15.7515 -15.7515 -15.7513 -15.7513 -7.5069 -7.5069 -7.5047 -7.5047 -7.1448 -7.1448 -7.1435 -7.1435 -5.8889 -5.8889 -5.8885 -5.8885 -5.1727 -5.1727 -5.1694 -5.1694 -4.1114 -4.1114 -4.1065 -4.1065 -3.8599 -3.8599 -3.8570 -3.8570 -1.1059 -1.1059 -1.1021 -1.1021 -0.7005 -0.7005 -0.7005 -0.7005 -0.4188 -0.4188 -0.4157 -0.4157 -0.1339 -0.1339 -0.1334 -0.1334 5.0671 5.0671 5.0689 5.0689 5.4535 5.4535 5.4555 5.4555 8.9894 8.9894 8.9899 8.9899 k = 0.2692 0.5000 0.2537 ( 4812 PWs) bands (ev): -21.7229 -21.7229 -21.7229 -21.7229 -21.6047 -21.6047 -21.6047 -21.6047 -16.1437 -16.1437 -16.1436 -16.1436 -15.7628 -15.7628 -15.7627 -15.7627 -7.4996 -7.4996 -7.4973 -7.4973 -7.1530 -7.1530 -7.1516 -7.1516 -5.8775 -5.8775 -5.8771 -5.8771 -5.1971 -5.1971 -5.1939 -5.1939 -4.1080 -4.1080 -4.1030 -4.1030 -3.8719 -3.8719 -3.8689 -3.8689 -1.0880 -1.0880 -1.0841 -1.0841 -0.6933 -0.6933 -0.6930 -0.6930 -0.4047 -0.4047 -0.4015 -0.4015 -0.1412 -0.1412 -0.1406 -0.1406 5.0765 5.0765 5.0783 5.0783 5.4541 5.4541 5.4561 5.4561 9.0138 9.0138 9.0142 9.0142 k = 0.2821 0.5000 0.2537 ( 4808 PWs) bands (ev): -21.7190 -21.7190 -21.7189 -21.7189 -21.6061 -21.6061 -21.6061 -21.6061 -16.1376 -16.1376 -16.1375 -16.1375 -15.7745 -15.7745 -15.7743 -15.7743 -7.4919 -7.4919 -7.4897 -7.4897 -7.1615 -7.1615 -7.1601 -7.1601 -5.8657 -5.8657 -5.8654 -5.8654 -5.2218 -5.2218 -5.2186 -5.2186 -4.1045 -4.1045 -4.0995 -4.0995 -3.8838 -3.8838 -3.8807 -3.8807 -1.0698 -1.0698 -1.0658 -1.0658 -0.6869 -0.6869 -0.6865 -0.6865 -0.3909 -0.3909 -0.3875 -0.3875 -0.1483 -0.1483 -0.1475 -0.1475 5.0866 5.0866 5.0885 5.0885 5.4540 5.4540 5.4560 5.4560 9.0393 9.0393 9.0396 9.0396 k = 0.2949 0.5000 0.2537 ( 4816 PWs) bands (ev): -21.7149 -21.7149 -21.7149 -21.7149 -21.6076 -21.6076 -21.6076 -21.6076 -16.1312 -16.1312 -16.1311 -16.1311 -15.7864 -15.7864 -15.7862 -15.7862 -7.4840 -7.4840 -7.4817 -7.4817 -7.1702 -7.1702 -7.1687 -7.1687 -5.8537 -5.8537 -5.8535 -5.8535 -5.2466 -5.2466 -5.2434 -5.2434 -4.1011 -4.1011 -4.0960 -4.0960 -3.8956 -3.8956 -3.8923 -3.8923 -1.0514 -1.0514 -1.0473 -1.0473 -0.6815 -0.6815 -0.6809 -0.6809 -0.3772 -0.3772 -0.3738 -0.3738 -0.1552 -0.1552 -0.1542 -0.1542 5.0975 5.0975 5.0994 5.0994 5.4532 5.4532 5.4553 5.4553 9.0660 9.0660 9.0662 9.0662 k = 0.3077 0.5000 0.2537 ( 4812 PWs) bands (ev): -21.7108 -21.7108 -21.7107 -21.7107 -21.6093 -21.6093 -21.6092 -21.6092 -16.1245 -16.1245 -16.1244 -16.1244 -15.7985 -15.7985 -15.7983 -15.7983 -7.4757 -7.4757 -7.4733 -7.4733 -7.1790 -7.1790 -7.1774 -7.1774 -5.8413 -5.8413 -5.8411 -5.8411 -5.2715 -5.2715 -5.2683 -5.2683 -4.0976 -4.0976 -4.0924 -4.0924 -3.9070 -3.9070 -3.9037 -3.9037 -1.0328 -1.0328 -1.0286 -1.0286 -0.6773 -0.6773 -0.6763 -0.6763 -0.3639 -0.3639 -0.3604 -0.3604 -0.1619 -0.1619 -0.1606 -0.1606 5.1091 5.1091 5.1110 5.1110 5.4518 5.4518 5.4539 5.4539 9.0939 9.0939 9.0940 9.0940 k = 0.3205 0.5000 0.2537 ( 4812 PWs) bands (ev): -21.7066 -21.7066 -21.7065 -21.7065 -21.6110 -21.6110 -21.6110 -21.6110 -16.1175 -16.1175 -16.1174 -16.1174 -15.8108 -15.8108 -15.8106 -15.8106 -7.4671 -7.4671 -7.4647 -7.4647 -7.1880 -7.1880 -7.1864 -7.1864 -5.8286 -5.8286 -5.8285 -5.8285 -5.2963 -5.2963 -5.2932 -5.2932 -4.0940 -4.0940 -4.0889 -4.0889 -3.9182 -3.9182 -3.9147 -3.9147 -1.0141 -1.0141 -1.0097 -1.0097 -0.6742 -0.6742 -0.6730 -0.6730 -0.3510 -0.3510 -0.3473 -0.3473 -0.1682 -0.1682 -0.1667 -0.1667 5.1214 5.1214 5.1233 5.1233 5.4497 5.4497 5.4518 5.4518 9.1229 9.1229 9.1230 9.1230 k = 0.3333 0.5000 0.2537 ( 4820 PWs) bands (ev): -21.7024 -21.7024 -21.7023 -21.7023 -21.6129 -21.6129 -21.6129 -21.6129 -16.1101 -16.1101 -16.1100 -16.1100 -15.8232 -15.8232 -15.8231 -15.8231 -7.4583 -7.4583 -7.4558 -7.4558 -7.1972 -7.1972 -7.1955 -7.1955 -5.8156 -5.8156 -5.8155 -5.8155 -5.3211 -5.3211 -5.3181 -5.3181 -4.0904 -4.0904 -4.0853 -4.0853 -3.9290 -3.9290 -3.9255 -3.9255 -0.9953 -0.9953 -0.9909 -0.9909 -0.6724 -0.6724 -0.6709 -0.6709 -0.3385 -0.3385 -0.3348 -0.3348 -0.1741 -0.1741 -0.1724 -0.1724 5.1344 5.1344 5.1363 5.1363 5.4467 5.4467 5.4488 5.4488 9.1528 9.1528 9.1531 9.1531 k = 0.3462 0.5000 0.2537 ( 4828 PWs) bands (ev): -21.6981 -21.6981 -21.6981 -21.6981 -21.6149 -21.6149 -21.6149 -21.6149 -16.1024 -16.1024 -16.1023 -16.1023 -15.8358 -15.8358 -15.8356 -15.8356 -7.4491 -7.4491 -7.4467 -7.4467 -7.2065 -7.2065 -7.2048 -7.2048 -5.8023 -5.8023 -5.8021 -5.8021 -5.3456 -5.3456 -5.3427 -5.3427 -4.0868 -4.0868 -4.0817 -4.0817 -3.9395 -3.9395 -3.9359 -3.9359 -0.9765 -0.9765 -0.9720 -0.9720 -0.6719 -0.6719 -0.6702 -0.6702 -0.3265 -0.3265 -0.3227 -0.3227 -0.1797 -0.1797 -0.1777 -0.1777 5.1479 5.1479 5.1499 5.1499 5.4429 5.4429 5.4450 5.4450 9.1839 9.1839 9.1844 9.1844 k = 0.3590 0.5000 0.2537 ( 4828 PWs) bands (ev): -21.6939 -21.6939 -21.6938 -21.6938 -21.6171 -21.6171 -21.6170 -21.6170 -16.0943 -16.0943 -16.0942 -16.0942 -15.8484 -15.8484 -15.8483 -15.8483 -7.4398 -7.4398 -7.4373 -7.4373 -7.2159 -7.2159 -7.2142 -7.2142 -5.7886 -5.7886 -5.7884 -5.7884 -5.3700 -5.3700 -5.3672 -5.3672 -4.0832 -4.0832 -4.0780 -4.0780 -3.9496 -3.9496 -3.9458 -3.9458 -0.9577 -0.9577 -0.9531 -0.9531 -0.6728 -0.6728 -0.6708 -0.6708 -0.3151 -0.3151 -0.3111 -0.3111 -0.1849 -0.1849 -0.1826 -0.1826 5.1620 5.1620 5.1640 5.1640 5.4382 5.4382 5.4403 5.4403 9.2160 9.2160 9.2167 9.2167 k = 0.3718 0.5000 0.2537 ( 4832 PWs) bands (ev): -21.6896 -21.6896 -21.6896 -21.6896 -21.6193 -21.6193 -21.6193 -21.6193 -16.0859 -16.0859 -16.0858 -16.0858 -15.8611 -15.8611 -15.8609 -15.8609 -7.4302 -7.4302 -7.4277 -7.4277 -7.2255 -7.2255 -7.2237 -7.2237 -5.7746 -5.7746 -5.7743 -5.7743 -5.3941 -5.3941 -5.3914 -5.3914 -4.0794 -4.0794 -4.0742 -4.0742 -3.9593 -3.9593 -3.9554 -3.9554 -0.9389 -0.9389 -0.9343 -0.9343 -0.6752 -0.6752 -0.6729 -0.6729 -0.3042 -0.3042 -0.3002 -0.3002 -0.1897 -0.1897 -0.1871 -0.1871 5.1765 5.1765 5.1785 5.1785 5.4327 5.4327 5.4348 5.4348 9.2491 9.2491 9.2500 9.2500 k = 0.3846 0.5000 0.2537 ( 4824 PWs) bands (ev): -21.6854 -21.6854 -21.6853 -21.6853 -21.6217 -21.6217 -21.6217 -21.6217 -16.0771 -16.0771 -16.0770 -16.0770 -15.8738 -15.8738 -15.8736 -15.8736 -7.4204 -7.4204 -7.4179 -7.4179 -7.2353 -7.2353 -7.2334 -7.2334 -5.7603 -5.7603 -5.7598 -5.7598 -5.4178 -5.4178 -5.4152 -5.4152 -4.0756 -4.0756 -4.0704 -4.0704 -3.9686 -3.9686 -3.9646 -3.9646 -0.9204 -0.9204 -0.9157 -0.9157 -0.6789 -0.6789 -0.6763 -0.6763 -0.2939 -0.2939 -0.2899 -0.2899 -0.1941 -0.1941 -0.1913 -0.1913 5.1915 5.1915 5.1935 5.1935 5.4262 5.4262 5.4283 5.4283 9.2832 9.2832 9.2842 9.2842 k = 0.3974 0.5000 0.2537 ( 4820 PWs) bands (ev): -21.6811 -21.6811 -21.6811 -21.6811 -21.6243 -21.6243 -21.6243 -21.6243 -16.0680 -16.0680 -16.0679 -16.0679 -15.8865 -15.8865 -15.8863 -15.8863 -7.4104 -7.4104 -7.4079 -7.4079 -7.2451 -7.2451 -7.2431 -7.2431 -5.7455 -5.7455 -5.7449 -5.7449 -5.4412 -5.4412 -5.4387 -5.4387 -4.0717 -4.0717 -4.0665 -4.0665 -3.9774 -3.9774 -3.9734 -3.9734 -0.9020 -0.9020 -0.8973 -0.8973 -0.6841 -0.6841 -0.6812 -0.6812 -0.2843 -0.2843 -0.2802 -0.2802 -0.1983 -0.1983 -0.1952 -0.1952 5.2068 5.2068 5.2088 5.2088 5.4188 5.4188 5.4209 5.4209 9.3180 9.3180 9.3193 9.3193 k = 0.4103 0.5000 0.2537 ( 4820 PWs) bands (ev): -21.6769 -21.6769 -21.6769 -21.6769 -21.6270 -21.6270 -21.6270 -21.6270 -16.0586 -16.0586 -16.0585 -16.0585 -15.8991 -15.8991 -15.8990 -15.8990 -7.4003 -7.4003 -7.3978 -7.3978 -7.2551 -7.2551 -7.2530 -7.2530 -5.7303 -5.7303 -5.7296 -5.7296 -5.4641 -5.4641 -5.4617 -5.4617 -4.0676 -4.0676 -4.0625 -4.0625 -3.9859 -3.9859 -3.9817 -3.9817 -0.8838 -0.8838 -0.8791 -0.8791 -0.6906 -0.6906 -0.6874 -0.6874 -0.2753 -0.2753 -0.2712 -0.2712 -0.2022 -0.2022 -0.1988 -0.1988 5.2223 5.2223 5.2243 5.2243 5.4105 5.4105 5.4126 5.4126 9.3536 9.3536 9.3551 9.3551 k = 0.4231 0.5000 0.2537 ( 4828 PWs) bands (ev): -21.6728 -21.6728 -21.6728 -21.6728 -21.6298 -21.6298 -21.6298 -21.6298 -16.0489 -16.0489 -16.0488 -16.0488 -15.9117 -15.9117 -15.9116 -15.9116 -7.3900 -7.3900 -7.3876 -7.3876 -7.2651 -7.2651 -7.2631 -7.2631 -5.7146 -5.7146 -5.7138 -5.7138 -5.4866 -5.4866 -5.4843 -5.4843 -4.0635 -4.0635 -4.0583 -4.0583 -3.9939 -3.9939 -3.9897 -3.9897 -0.8660 -0.8660 -0.8613 -0.8613 -0.6983 -0.6983 -0.6950 -0.6950 -0.2670 -0.2670 -0.2628 -0.2628 -0.2059 -0.2059 -0.2023 -0.2023 5.2379 5.2379 5.2399 5.2399 5.4012 5.4012 5.4033 5.4033 9.3898 9.3898 9.3915 9.3915 k = 0.4359 0.5000 0.2537 ( 4832 PWs) bands (ev): -21.6687 -21.6687 -21.6687 -21.6687 -21.6328 -21.6328 -21.6327 -21.6327 -16.0389 -16.0389 -16.0387 -16.0387 -15.9242 -15.9242 -15.9241 -15.9241 -7.3797 -7.3797 -7.3773 -7.3773 -7.2753 -7.2753 -7.2732 -7.2732 -5.6985 -5.6985 -5.6976 -5.6976 -5.5085 -5.5085 -5.5064 -5.5064 -4.0592 -4.0592 -4.0540 -4.0540 -4.0015 -4.0015 -3.9972 -3.9972 -0.8485 -0.8485 -0.8438 -0.8438 -0.7074 -0.7074 -0.7038 -0.7038 -0.2593 -0.2593 -0.2551 -0.2551 -0.2095 -0.2095 -0.2058 -0.2058 5.2535 5.2535 5.2556 5.2556 5.3911 5.3911 5.3932 5.3932 9.4265 9.4265 9.4283 9.4283 k = 0.4487 0.5000 0.2537 ( 4816 PWs) bands (ev): -21.6647 -21.6647 -21.6646 -21.6646 -21.6358 -21.6358 -21.6358 -21.6358 -16.0285 -16.0285 -16.0284 -16.0284 -15.9366 -15.9366 -15.9364 -15.9364 -7.3693 -7.3693 -7.3668 -7.3668 -7.2855 -7.2855 -7.2834 -7.2834 -5.6819 -5.6819 -5.6809 -5.6809 -5.5300 -5.5300 -5.5279 -5.5279 -4.0547 -4.0547 -4.0496 -4.0496 -4.0086 -4.0086 -4.0043 -4.0043 -0.8314 -0.8314 -0.8267 -0.8267 -0.7175 -0.7175 -0.7138 -0.7138 -0.2522 -0.2522 -0.2481 -0.2481 -0.2132 -0.2132 -0.2092 -0.2092 5.2691 5.2691 5.2712 5.2712 5.3802 5.3802 5.3823 5.3823 9.4634 9.4634 9.4655 9.4655 k = 0.4615 0.5000 0.2537 ( 4812 PWs) bands (ev): -21.6607 -21.6607 -21.6607 -21.6607 -21.6390 -21.6390 -21.6390 -21.6390 -16.0179 -16.0179 -16.0177 -16.0177 -15.9488 -15.9488 -15.9486 -15.9486 -7.3588 -7.3588 -7.3564 -7.3564 -7.2959 -7.2959 -7.2936 -7.2936 -5.6648 -5.6648 -5.6636 -5.6636 -5.5509 -5.5509 -5.5490 -5.5490 -4.0500 -4.0500 -4.0449 -4.0449 -4.0154 -4.0154 -4.0110 -4.0110 -0.8148 -0.8148 -0.8101 -0.8101 -0.7288 -0.7288 -0.7248 -0.7248 -0.2457 -0.2457 -0.2417 -0.2417 -0.2169 -0.2169 -0.2127 -0.2127 5.2846 5.2846 5.2866 5.2866 5.3684 5.3684 5.3705 5.3705 9.5004 9.5004 9.5027 9.5027 k = 0.4744 0.5000 0.2537 ( 4812 PWs) bands (ev): -21.6569 -21.6569 -21.6568 -21.6568 -21.6424 -21.6424 -21.6424 -21.6424 -16.0069 -16.0069 -16.0068 -16.0068 -15.9608 -15.9608 -15.9607 -15.9607 -7.3483 -7.3483 -7.3459 -7.3459 -7.3063 -7.3063 -7.3040 -7.3040 -5.6472 -5.6472 -5.6459 -5.6459 -5.5713 -5.5713 -5.5695 -5.5695 -4.0452 -4.0452 -4.0400 -4.0400 -4.0217 -4.0217 -4.0174 -4.0174 -0.7987 -0.7987 -0.7942 -0.7942 -0.7411 -0.7411 -0.7369 -0.7369 -0.2398 -0.2398 -0.2360 -0.2360 -0.2208 -0.2208 -0.2163 -0.2163 5.2997 5.2997 5.3018 5.3018 5.3559 5.3559 5.3580 5.3580 9.5372 9.5372 9.5397 9.5397 k = 0.4872 0.5000 0.2537 ( 4800 PWs) bands (ev): -21.6531 -21.6531 -21.6530 -21.6530 -21.6458 -21.6458 -21.6458 -21.6458 -15.9958 -15.9958 -15.9956 -15.9956 -15.9727 -15.9727 -15.9725 -15.9725 -7.3378 -7.3378 -7.3355 -7.3355 -7.3167 -7.3167 -7.3143 -7.3143 -5.6291 -5.6291 -5.6276 -5.6276 -5.5911 -5.5911 -5.5894 -5.5894 -4.0403 -4.0403 -4.0350 -4.0350 -4.0275 -4.0275 -4.0233 -4.0233 -0.7833 -0.7833 -0.7788 -0.7788 -0.7542 -0.7542 -0.7499 -0.7499 -0.2345 -0.2345 -0.2311 -0.2311 -0.2249 -0.2249 -0.2199 -0.2199 5.3145 5.3145 5.3166 5.3166 5.3428 5.3428 5.3448 5.3448 9.5735 9.5735 9.5763 9.5763 k = 0.5000 0.5000 0.2537 ( 4792 PWs) bands (ev): -21.6495 -21.6495 -21.6494 -21.6494 -21.6493 -21.6493 -21.6493 -21.6493 -15.9844 -15.9844 -15.9843 -15.9843 -15.9842 -15.9842 -15.9841 -15.9841 -7.3280 -7.3280 -7.3264 -7.3264 -7.3263 -7.3263 -7.3234 -7.3234 -5.6114 -5.6114 -5.6093 -5.6093 -5.6092 -5.6092 -5.6083 -5.6083 -4.0371 -4.0371 -4.0310 -4.0310 -4.0309 -4.0309 -4.0276 -4.0276 -0.7705 -0.7705 -0.7663 -0.7663 -0.7662 -0.7662 -0.7617 -0.7617 -0.2305 -0.2305 -0.2285 -0.2285 -0.2284 -0.2284 -0.2221 -0.2221 5.3276 5.3276 5.3301 5.3301 5.3303 5.3303 5.3317 5.3317 9.6054 9.6055 9.6109 9.6111 k = 0.5000 0.5000 0.2537 ( 4792 PWs) bands (ev): -21.6495 -21.6495 -21.6494 -21.6494 -21.6493 -21.6493 -21.6493 -21.6493 -15.9844 -15.9844 -15.9843 -15.9843 -15.9842 -15.9842 -15.9841 -15.9841 -7.3280 -7.3280 -7.3264 -7.3264 -7.3263 -7.3263 -7.3234 -7.3234 -5.6114 -5.6114 -5.6093 -5.6093 -5.6092 -5.6092 -5.6083 -5.6083 -4.0371 -4.0371 -4.0310 -4.0310 -4.0309 -4.0309 -4.0276 -4.0276 -0.7705 -0.7705 -0.7663 -0.7663 -0.7662 -0.7662 -0.7617 -0.7617 -0.2305 -0.2305 -0.2285 -0.2285 -0.2284 -0.2284 -0.2221 -0.2221 5.3276 5.3276 5.3301 5.3301 5.3303 5.3303 5.3317 5.3317 9.6054 9.6055 9.6107 9.6110 k = 0.4909 0.4909 0.2537 ( 4800 PWs) bands (ev): -21.6531 -21.6531 -21.6531 -21.6531 -21.6458 -21.6458 -21.6458 -21.6458 -15.9958 -15.9958 -15.9957 -15.9957 -15.9727 -15.9727 -15.9725 -15.9725 -7.3378 -7.3378 -7.3355 -7.3355 -7.3167 -7.3167 -7.3143 -7.3143 -5.6291 -5.6291 -5.6277 -5.6277 -5.5910 -5.5910 -5.5893 -5.5893 -4.0403 -4.0403 -4.0350 -4.0350 -4.0274 -4.0274 -4.0233 -4.0233 -0.7834 -0.7834 -0.7789 -0.7789 -0.7541 -0.7541 -0.7498 -0.7498 -0.2345 -0.2345 -0.2311 -0.2311 -0.2249 -0.2249 -0.2199 -0.2199 5.3145 5.3145 5.3165 5.3165 5.3428 5.3428 5.3449 5.3449 9.5733 9.5733 9.5761 9.5761 k = 0.4818 0.4818 0.2537 ( 4808 PWs) bands (ev): -21.6569 -21.6569 -21.6569 -21.6569 -21.6423 -21.6423 -21.6423 -21.6423 -16.0070 -16.0070 -16.0068 -16.0068 -15.9608 -15.9608 -15.9606 -15.9606 -7.3483 -7.3483 -7.3459 -7.3459 -7.3062 -7.3062 -7.3040 -7.3040 -5.6473 -5.6473 -5.6460 -5.6460 -5.5712 -5.5712 -5.5694 -5.5694 -4.0453 -4.0453 -4.0402 -4.0402 -4.0216 -4.0216 -4.0173 -4.0173 -0.7989 -0.7989 -0.7943 -0.7943 -0.7409 -0.7409 -0.7367 -0.7367 -0.2398 -0.2398 -0.2358 -0.2358 -0.2210 -0.2210 -0.2163 -0.2163 5.2996 5.2996 5.3016 5.3016 5.3561 5.3561 5.3581 5.3581 9.5364 9.5364 9.5391 9.5391 k = 0.4727 0.4727 0.2537 ( 4812 PWs) bands (ev): -21.6609 -21.6609 -21.6608 -21.6608 -21.6389 -21.6389 -21.6389 -21.6389 -16.0179 -16.0179 -16.0178 -16.0178 -15.9487 -15.9487 -15.9486 -15.9486 -7.3587 -7.3587 -7.3563 -7.3563 -7.2959 -7.2959 -7.2937 -7.2937 -5.6649 -5.6649 -5.6637 -5.6637 -5.5508 -5.5508 -5.5488 -5.5488 -4.0503 -4.0503 -4.0453 -4.0453 -4.0150 -4.0150 -4.0107 -4.0107 -0.8153 -0.8153 -0.8105 -0.8105 -0.7285 -0.7285 -0.7243 -0.7243 -0.2456 -0.2456 -0.2411 -0.2411 -0.2175 -0.2175 -0.2129 -0.2129 5.2843 5.2843 5.2863 5.2863 5.3687 5.3687 5.3708 5.3708 9.4983 9.4983 9.5009 9.5009 k = 0.4636 0.4636 0.2537 ( 4816 PWs) bands (ev): -21.6650 -21.6650 -21.6650 -21.6650 -21.6355 -21.6355 -21.6355 -21.6355 -16.0285 -16.0285 -16.0283 -16.0283 -15.9365 -15.9365 -15.9364 -15.9364 -7.3690 -7.3690 -7.3666 -7.3666 -7.2858 -7.2858 -7.2836 -7.2836 -5.6820 -5.6820 -5.6809 -5.6809 -5.5299 -5.5299 -5.5278 -5.5278 -4.0553 -4.0553 -4.0504 -4.0504 -4.0078 -4.0078 -4.0036 -4.0036 -0.8324 -0.8324 -0.8275 -0.8275 -0.7169 -0.7169 -0.7127 -0.7127 -0.2517 -0.2517 -0.2468 -0.2468 -0.2145 -0.2145 -0.2099 -0.2099 5.2686 5.2686 5.2706 5.2706 5.3808 5.3808 5.3828 5.3828 9.4590 9.4590 9.4617 9.4617 k = 0.4545 0.4545 0.2537 ( 4812 PWs) bands (ev): -21.6693 -21.6693 -21.6693 -21.6693 -21.6321 -21.6321 -21.6321 -21.6321 -16.0387 -16.0387 -16.0386 -16.0386 -15.9242 -15.9242 -15.9241 -15.9241 -7.3792 -7.3792 -7.3767 -7.3767 -7.2759 -7.2759 -7.2737 -7.2737 -5.6985 -5.6985 -5.6974 -5.6974 -5.5084 -5.5084 -5.5062 -5.5062 -4.0604 -4.0604 -4.0555 -4.0555 -4.0000 -4.0000 -3.9959 -3.9959 -0.8502 -0.8502 -0.8452 -0.8452 -0.7061 -0.7061 -0.7019 -0.7019 -0.2581 -0.2581 -0.2527 -0.2527 -0.2120 -0.2120 -0.2072 -0.2072 5.2526 5.2526 5.2546 5.2546 5.3922 5.3922 5.3943 5.3943 9.4186 9.4186 9.4213 9.4213 k = 0.4455 0.4455 0.2537 ( 4808 PWs) bands (ev): -21.6739 -21.6739 -21.6738 -21.6738 -21.6287 -21.6287 -21.6287 -21.6287 -16.0486 -16.0486 -16.0485 -16.0485 -15.9119 -15.9119 -15.9117 -15.9117 -7.3891 -7.3891 -7.3866 -7.3866 -7.2662 -7.2662 -7.2640 -7.2640 -5.7145 -5.7145 -5.7134 -5.7134 -5.4865 -5.4865 -5.4841 -5.4841 -4.0656 -4.0656 -4.0607 -4.0607 -3.9915 -3.9915 -3.9876 -3.9876 -0.8687 -0.8687 -0.8637 -0.8636 -0.6963 -0.6963 -0.6920 -0.6920 -0.2647 -0.2647 -0.2589 -0.2589 -0.2099 -0.2099 -0.2051 -0.2051 5.2364 5.2364 5.2384 5.2384 5.4030 5.4030 5.4050 5.4050 9.3770 9.3770 9.3800 9.3800 k = 0.4364 0.4364 0.2537 ( 4818 PWs) bands (ev): -21.6786 -21.6786 -21.6786 -21.6786 -21.6254 -21.6254 -21.6253 -21.6253 -16.0581 -16.0581 -16.0580 -16.0580 -15.8995 -15.8995 -15.8993 -15.8993 -7.3987 -7.3987 -7.3962 -7.3962 -7.2569 -7.2569 -7.2547 -7.2547 -5.7299 -5.7299 -5.7288 -5.7288 -5.4641 -5.4641 -5.4616 -5.4616 -4.0708 -4.0708 -4.0661 -4.0661 -3.9824 -3.9824 -3.9786 -3.9786 -0.8879 -0.8879 -0.8827 -0.8827 -0.6875 -0.6875 -0.6830 -0.6830 -0.2716 -0.2716 -0.2651 -0.2651 -0.2084 -0.2084 -0.2034 -0.2034 5.2200 5.2200 5.2220 5.2220 5.4130 5.4130 5.4151 5.4151 9.3344 9.3344 9.3376 9.3376 k = 0.4273 0.4273 0.2537 ( 4828 PWs) bands (ev): -21.6836 -21.6836 -21.6836 -21.6836 -21.6219 -21.6219 -21.6219 -21.6219 -16.0672 -16.0672 -16.0671 -16.0671 -15.8871 -15.8871 -15.8870 -15.8870 -7.4080 -7.4080 -7.4054 -7.4054 -7.2479 -7.2479 -7.2457 -7.2457 -5.7447 -5.7447 -5.7436 -5.7436 -5.4412 -5.4412 -5.4386 -5.4386 -4.0762 -4.0762 -4.0715 -4.0715 -3.9726 -3.9726 -3.9690 -3.9690 -0.9077 -0.9077 -0.9025 -0.9025 -0.6797 -0.6797 -0.6751 -0.6751 -0.2784 -0.2784 -0.2714 -0.2714 -0.2074 -0.2074 -0.2022 -0.2022 5.2036 5.2036 5.2056 5.2056 5.4225 5.4225 5.4245 5.4245 9.2908 9.2908 9.2941 9.2941 k = 0.4182 0.4182 0.2537 ( 4826 PWs) bands (ev): -21.6888 -21.6888 -21.6888 -21.6888 -21.6185 -21.6185 -21.6184 -21.6184 -16.0758 -16.0758 -16.0757 -16.0757 -15.8747 -15.8747 -15.8746 -15.8746 -7.4169 -7.4169 -7.4143 -7.4143 -7.2392 -7.2392 -7.2370 -7.2370 -5.7590 -5.7590 -5.7578 -5.7578 -5.4178 -5.4178 -5.4151 -5.4151 -4.0818 -4.0818 -4.0771 -4.0771 -3.9623 -3.9623 -3.9587 -3.9587 -0.9281 -0.9281 -0.9227 -0.9227 -0.6732 -0.6732 -0.6683 -0.6683 -0.2852 -0.2852 -0.2775 -0.2775 -0.2069 -0.2069 -0.2015 -0.2015 5.1872 5.1872 5.1893 5.1893 5.4313 5.4313 5.4334 5.4334 9.2463 9.2463 9.2498 9.2498 k = 0.4091 0.4091 0.2537 ( 4830 PWs) bands (ev): -21.6943 -21.6943 -21.6943 -21.6943 -21.6149 -21.6149 -21.6149 -21.6149 -16.0840 -16.0840 -16.0839 -16.0839 -15.8624 -15.8624 -15.8623 -15.8623 -7.4255 -7.4255 -7.4228 -7.4228 -7.2310 -7.2310 -7.2288 -7.2288 -5.7728 -5.7728 -5.7714 -5.7714 -5.3940 -5.3940 -5.3912 -5.3912 -4.0875 -4.0875 -4.0829 -4.0829 -3.9513 -3.9513 -3.9479 -3.9479 -0.9489 -0.9489 -0.9435 -0.9435 -0.6680 -0.6680 -0.6627 -0.6627 -0.2918 -0.2918 -0.2835 -0.2835 -0.2069 -0.2069 -0.2013 -0.2013 5.1710 5.1710 5.1730 5.1730 5.4395 5.4395 5.4416 5.4416 9.2008 9.2008 9.2045 9.2045 k = 0.4000 0.4000 0.2537 ( 4836 PWs) bands (ev): -21.7000 -21.7000 -21.7000 -21.7000 -21.6113 -21.6113 -21.6113 -21.6113 -16.0918 -16.0918 -16.0916 -16.0916 -15.8502 -15.8502 -15.8501 -15.8501 -7.4335 -7.4335 -7.4308 -7.4308 -7.2232 -7.2232 -7.2210 -7.2210 -5.7861 -5.7861 -5.7846 -5.7846 -5.3698 -5.3698 -5.3668 -5.3668 -4.0933 -4.0933 -4.0887 -4.0887 -3.9399 -3.9399 -3.9366 -3.9366 -0.9701 -0.9701 -0.9646 -0.9646 -0.6642 -0.6642 -0.6586 -0.6586 -0.2981 -0.2981 -0.2891 -0.2891 -0.2073 -0.2073 -0.2015 -0.2015 5.1551 5.1551 5.1571 5.1571 5.4471 5.4471 5.4491 5.4491 9.1544 9.1544 9.1583 9.1583 k = 0.3909 0.3909 0.2537 ( 4832 PWs) bands (ev): -21.7059 -21.7059 -21.7059 -21.7059 -21.6077 -21.6077 -21.6076 -21.6076 -16.0990 -16.0990 -16.0989 -16.0989 -15.8382 -15.8382 -15.8380 -15.8380 -7.4411 -7.4411 -7.4384 -7.4384 -7.2159 -7.2159 -7.2136 -7.2136 -5.7988 -5.7988 -5.7971 -5.7971 -5.3452 -5.3452 -5.3421 -5.3421 -4.0992 -4.0992 -4.0947 -4.0947 -3.9280 -3.9280 -3.9249 -3.9249 -0.9917 -0.9917 -0.9861 -0.9861 -0.6621 -0.6621 -0.6561 -0.6561 -0.3038 -0.3038 -0.2942 -0.2942 -0.2081 -0.2081 -0.2021 -0.2021 5.1395 5.1395 5.1415 5.1415 5.4541 5.4541 5.4561 5.4561 9.1071 9.1071 9.1112 9.1112 k = 0.3818 0.3818 0.2537 ( 4828 PWs) bands (ev): -21.7121 -21.7121 -21.7121 -21.7121 -21.6039 -21.6039 -21.6039 -21.6039 -16.1058 -16.1058 -16.1056 -16.1056 -15.8263 -15.8263 -15.8262 -15.8262 -7.4480 -7.4480 -7.4453 -7.4453 -7.2091 -7.2091 -7.2067 -7.2067 -5.8110 -5.8110 -5.8092 -5.8092 -5.3202 -5.3202 -5.3169 -5.3169 -4.1051 -4.1051 -4.1007 -4.1007 -3.9158 -3.9158 -3.9128 -3.9128 -1.0135 -1.0135 -1.0079 -1.0079 -0.6617 -0.6617 -0.6554 -0.6554 -0.3089 -0.3089 -0.2987 -0.2987 -0.2094 -0.2094 -0.2032 -0.2032 5.1243 5.1243 5.1263 5.1263 5.4606 5.4606 5.4626 5.4626 9.0589 9.0589 9.0633 9.0633 k = 0.3727 0.3727 0.2537 ( 4828 PWs) bands (ev): -21.7185 -21.7185 -21.7185 -21.7185 -21.6000 -21.6000 -21.6000 -21.6000 -16.1120 -16.1120 -16.1119 -16.1119 -15.8146 -15.8146 -15.8145 -15.8145 -7.4545 -7.4545 -7.4518 -7.4518 -7.2027 -7.2027 -7.2003 -7.2003 -5.8227 -5.8227 -5.8207 -5.8207 -5.2948 -5.2948 -5.2915 -5.2915 -4.1112 -4.1112 -4.1067 -4.1067 -3.9033 -3.9033 -3.9004 -3.9004 -1.0355 -1.0355 -1.0297 -1.0297 -0.6632 -0.6632 -0.6566 -0.6566 -0.3133 -0.3133 -0.3025 -0.3025 -0.2110 -0.2110 -0.2046 -0.2046 5.1097 5.1097 5.1117 5.1117 5.4665 5.4665 5.4685 5.4685 9.0099 9.0099 9.0144 9.0144 k = 0.3636 0.3636 0.2537 ( 4828 PWs) bands (ev): -21.7251 -21.7251 -21.7251 -21.7251 -21.5961 -21.5961 -21.5961 -21.5961 -16.1177 -16.1177 -16.1176 -16.1176 -15.8032 -15.8032 -15.8031 -15.8031 -7.4603 -7.4603 -7.4576 -7.4576 -7.1969 -7.1969 -7.1945 -7.1945 -5.8339 -5.8339 -5.8318 -5.8318 -5.2691 -5.2691 -5.2656 -5.2656 -4.1172 -4.1172 -4.1128 -4.1128 -3.8908 -3.8908 -3.8879 -3.8879 -1.0574 -1.0574 -1.0516 -1.0516 -0.6667 -0.6667 -0.6598 -0.6598 -0.3167 -0.3167 -0.3056 -0.3056 -0.2130 -0.2130 -0.2063 -0.2063 5.0958 5.0958 5.0978 5.0978 5.4719 5.4719 5.4739 5.4739 8.9600 8.9600 8.9646 8.9646 k = 0.3545 0.3545 0.2537 ( 4824 PWs) bands (ev): -21.7319 -21.7319 -21.7319 -21.7319 -21.5921 -21.5921 -21.5921 -21.5921 -16.1229 -16.1229 -16.1228 -16.1228 -15.7920 -15.7920 -15.7919 -15.7919 -7.4655 -7.4655 -7.4627 -7.4627 -7.1916 -7.1916 -7.1891 -7.1891 -5.8447 -5.8447 -5.8424 -5.8424 -5.2430 -5.2430 -5.2395 -5.2395 -4.1231 -4.1231 -4.1187 -4.1187 -3.8782 -3.8782 -3.8754 -3.8754 -1.0793 -1.0793 -1.0734 -1.0734 -0.6722 -0.6722 -0.6652 -0.6652 -0.3193 -0.3193 -0.3077 -0.3077 -0.2152 -0.2152 -0.2083 -0.2083 5.0826 5.0826 5.0846 5.0846 5.4768 5.4768 5.4788 5.4788 8.9093 8.9093 8.9140 8.9140 k = 0.3455 0.3455 0.2537 ( 4832 PWs) bands (ev): -21.7389 -21.7389 -21.7389 -21.7389 -21.5880 -21.5880 -21.5880 -21.5880 -16.1276 -16.1276 -16.1275 -16.1275 -15.7812 -15.7812 -15.7810 -15.7810 -7.4700 -7.4700 -7.4673 -7.4673 -7.1869 -7.1869 -7.1842 -7.1842 -5.8550 -5.8550 -5.8525 -5.8525 -5.2167 -5.2167 -5.2130 -5.2130 -4.1290 -4.1290 -4.1246 -4.1246 -3.8657 -3.8657 -3.8631 -3.8631 -1.1011 -1.1011 -1.0951 -1.0951 -0.6798 -0.6798 -0.6727 -0.6727 -0.3209 -0.3209 -0.3091 -0.3091 -0.2177 -0.2177 -0.2105 -0.2105 5.0703 5.0703 5.0722 5.0722 5.4813 5.4813 5.4833 5.4833 8.8577 8.8577 8.8625 8.8625 k = 0.3364 0.3364 0.2537 ( 4832 PWs) bands (ev): -21.7462 -21.7462 -21.7461 -21.7461 -21.5838 -21.5838 -21.5838 -21.5838 -16.1317 -16.1317 -16.1316 -16.1316 -15.7706 -15.7706 -15.7705 -15.7705 -7.4739 -7.4739 -7.4711 -7.4711 -7.1826 -7.1826 -7.1799 -7.1799 -5.8648 -5.8648 -5.8622 -5.8622 -5.1900 -5.1900 -5.1863 -5.1863 -4.1348 -4.1348 -4.1304 -4.1304 -3.8535 -3.8535 -3.8509 -3.8509 -1.1225 -1.1225 -1.1164 -1.1164 -0.6894 -0.6894 -0.6823 -0.6823 -0.3216 -0.3216 -0.3097 -0.3097 -0.2202 -0.2202 -0.2129 -0.2129 5.0589 5.0589 5.0608 5.0608 5.4854 5.4854 5.4874 5.4874 8.8052 8.8052 8.8102 8.8102 k = 0.3273 0.3273 0.2537 ( 4848 PWs) bands (ev): -21.7535 -21.7535 -21.7535 -21.7535 -21.5796 -21.5796 -21.5796 -21.5796 -16.1354 -16.1354 -16.1352 -16.1352 -15.7604 -15.7604 -15.7603 -15.7603 -7.4771 -7.4771 -7.4743 -7.4743 -7.1790 -7.1790 -7.1762 -7.1762 -5.8742 -5.8742 -5.8714 -5.8714 -5.1632 -5.1632 -5.1594 -5.1594 -4.1403 -4.1403 -4.1360 -4.1360 -3.8417 -3.8417 -3.8392 -3.8392 -1.1436 -1.1436 -1.1374 -1.1374 -0.7010 -0.7010 -0.6939 -0.6939 -0.3217 -0.3217 -0.3098 -0.3098 -0.2229 -0.2229 -0.2152 -0.2152 5.0485 5.0485 5.0504 5.0504 5.4890 5.4890 5.4910 5.4910 8.7520 8.7520 8.7570 8.7570 k = 0.3182 0.3182 0.2537 ( 4848 PWs) bands (ev): -21.7610 -21.7610 -21.7610 -21.7610 -21.5753 -21.5753 -21.5752 -21.5752 -16.1384 -16.1384 -16.1383 -16.1383 -15.7506 -15.7506 -15.7505 -15.7505 -7.4795 -7.4795 -7.4768 -7.4768 -7.1758 -7.1758 -7.1729 -7.1729 -5.8833 -5.8833 -5.8803 -5.8803 -5.1361 -5.1361 -5.1322 -5.1322 -4.1457 -4.1457 -4.1414 -4.1414 -3.8304 -3.8304 -3.8280 -3.8280 -1.1642 -1.1642 -1.1578 -1.1578 -0.7145 -0.7145 -0.7074 -0.7074 -0.3212 -0.3212 -0.3093 -0.3093 -0.2254 -0.2254 -0.2175 -0.2175 5.0392 5.0392 5.0411 5.0411 5.4923 5.4923 5.4943 5.4943 8.6980 8.6980 8.7031 8.7031 k = 0.3091 0.3091 0.2537 ( 4852 PWs) bands (ev): -21.7687 -21.7687 -21.7687 -21.7687 -21.5709 -21.5709 -21.5709 -21.5709 -16.1410 -16.1410 -16.1408 -16.1408 -15.7413 -15.7413 -15.7411 -15.7411 -7.4813 -7.4813 -7.4785 -7.4785 -7.1731 -7.1731 -7.1701 -7.1701 -5.8919 -5.8919 -5.8887 -5.8887 -5.1088 -5.1088 -5.1049 -5.1049 -4.1508 -4.1508 -4.1465 -4.1465 -3.8198 -3.8198 -3.8174 -3.8174 -1.1841 -1.1841 -1.1777 -1.1777 -0.7296 -0.7296 -0.7227 -0.7227 -0.3203 -0.3203 -0.3086 -0.3086 -0.2278 -0.2278 -0.2196 -0.2196 5.0311 5.0311 5.0330 5.0330 5.4953 5.4953 5.4973 5.4973 8.6432 8.6432 8.6484 8.6484 k = 0.3000 0.3000 0.2537 ( 4854 PWs) bands (ev): -21.7764 -21.7764 -21.7764 -21.7764 -21.5665 -21.5665 -21.5664 -21.5664 -16.1430 -16.1430 -16.1428 -16.1428 -15.7323 -15.7323 -15.7322 -15.7322 -7.4823 -7.4823 -7.4796 -7.4796 -7.1710 -7.1710 -7.1679 -7.1679 -5.9001 -5.9001 -5.8968 -5.8968 -5.0813 -5.0813 -5.0774 -5.0774 -4.1557 -4.1557 -4.1513 -4.1513 -3.8100 -3.8100 -3.8076 -3.8076 -1.2034 -1.2034 -1.1968 -1.1968 -0.7462 -0.7462 -0.7395 -0.7395 -0.3193 -0.3193 -0.3078 -0.3078 -0.2298 -0.2298 -0.2213 -0.2213 5.0242 5.0242 5.0262 5.0262 5.4979 5.4979 5.4998 5.4998 8.5878 8.5878 8.5930 8.5930 k = 0.2909 0.2909 0.2537 ( 4854 PWs) bands (ev): -21.7843 -21.7843 -21.7842 -21.7842 -21.5620 -21.5620 -21.5620 -21.5620 -16.1444 -16.1444 -16.1443 -16.1443 -15.7238 -15.7238 -15.7236 -15.7236 -7.4827 -7.4827 -7.4799 -7.4799 -7.1693 -7.1693 -7.1661 -7.1661 -5.9080 -5.9080 -5.9046 -5.9046 -5.0538 -5.0538 -5.0497 -5.0497 -4.1602 -4.1602 -4.1558 -4.1558 -3.8010 -3.8010 -3.7987 -3.7987 -1.2219 -1.2219 -1.2152 -1.2152 -0.7643 -0.7643 -0.7578 -0.7578 -0.3183 -0.3183 -0.3073 -0.3073 -0.2313 -0.2313 -0.2226 -0.2226 5.0187 5.0187 5.0206 5.0206 5.5002 5.5002 5.5021 5.5021 8.5317 8.5317 8.5369 8.5369 k = 0.2818 0.2818 0.2537 ( 4846 PWs) bands (ev): -21.7922 -21.7922 -21.7921 -21.7921 -21.5575 -21.5575 -21.5575 -21.5575 -16.1454 -16.1454 -16.1452 -16.1452 -15.7157 -15.7157 -15.7156 -15.7156 -7.4823 -7.4823 -7.4796 -7.4796 -7.1681 -7.1681 -7.1648 -7.1648 -5.9155 -5.9155 -5.9119 -5.9119 -5.0261 -5.0261 -5.0220 -5.0220 -4.1644 -4.1644 -4.1600 -4.1600 -3.7931 -3.7931 -3.7908 -3.7908 -1.2396 -1.2396 -1.2327 -1.2327 -0.7835 -0.7835 -0.7772 -0.7772 -0.3177 -0.3177 -0.3071 -0.3071 -0.2322 -0.2322 -0.2233 -0.2233 5.0144 5.0144 5.0163 5.0163 5.5022 5.5022 5.5042 5.5042 8.4750 8.4750 8.4802 8.4802 k = 0.2727 0.2727 0.2537 ( 4846 PWs) bands (ev): -21.8001 -21.8001 -21.8001 -21.8001 -21.5530 -21.5530 -21.5530 -21.5530 -16.1458 -16.1458 -16.1457 -16.1457 -15.7082 -15.7082 -15.7080 -15.7080 -7.4812 -7.4812 -7.4785 -7.4785 -7.1673 -7.1673 -7.1640 -7.1640 -5.9227 -5.9227 -5.9190 -5.9190 -4.9984 -4.9984 -4.9943 -4.9943 -4.1682 -4.1682 -4.1637 -4.1637 -3.7863 -3.7863 -3.7841 -3.7841 -1.2564 -1.2564 -1.2494 -1.2494 -0.8037 -0.8037 -0.7976 -0.7976 -0.3175 -0.3175 -0.3075 -0.3075 -0.2324 -0.2324 -0.2233 -0.2233 5.0116 5.0116 5.0135 5.0135 5.5039 5.5039 5.5059 5.5059 8.4178 8.4178 8.4230 8.4230 k = 0.2636 0.2636 0.2537 ( 4848 PWs) bands (ev): -21.8081 -21.8081 -21.8081 -21.8081 -21.5484 -21.5484 -21.5484 -21.5484 -16.1458 -16.1458 -16.1456 -16.1456 -15.7011 -15.7011 -15.7010 -15.7010 -7.4795 -7.4795 -7.4768 -7.4768 -7.1670 -7.1670 -7.1635 -7.1635 -5.9296 -5.9296 -5.9258 -5.9258 -4.9708 -4.9708 -4.9665 -4.9665 -4.1716 -4.1716 -4.1671 -4.1671 -3.7808 -3.7808 -3.7785 -3.7785 -1.2722 -1.2722 -1.2650 -1.2650 -0.8248 -0.8248 -0.8189 -0.8189 -0.3179 -0.3179 -0.3085 -0.3085 -0.2318 -0.2318 -0.2227 -0.2227 5.0102 5.0102 5.0121 5.0121 5.5054 5.5054 5.5074 5.5074 8.3602 8.3602 8.3654 8.3654 k = 0.2545 0.2545 0.2537 ( 4848 PWs) bands (ev): -21.8160 -21.8160 -21.8160 -21.8160 -21.5439 -21.5439 -21.5439 -21.5439 -16.1452 -16.1452 -16.1451 -16.1451 -15.6946 -15.6946 -15.6944 -15.6944 -7.4771 -7.4771 -7.4744 -7.4744 -7.1670 -7.1670 -7.1635 -7.1635 -5.9362 -5.9362 -5.9322 -5.9322 -4.9431 -4.9431 -4.9389 -4.9389 -4.1745 -4.1745 -4.1700 -4.1700 -3.7765 -3.7765 -3.7743 -3.7743 -1.2871 -1.2871 -1.2797 -1.2797 -0.8465 -0.8465 -0.8408 -0.8408 -0.3190 -0.3190 -0.3102 -0.3102 -0.2305 -0.2305 -0.2214 -0.2214 5.0102 5.0102 5.0121 5.0121 5.5066 5.5066 5.5086 5.5086 8.3022 8.3022 8.3074 8.3074 k = 0.2455 0.2455 0.2537 ( 4848 PWs) bands (ev): -21.8240 -21.8240 -21.8239 -21.8239 -21.5394 -21.5394 -21.5394 -21.5394 -16.1442 -16.1442 -16.1441 -16.1441 -15.6886 -15.6886 -15.6884 -15.6884 -7.4741 -7.4741 -7.4714 -7.4714 -7.1674 -7.1674 -7.1638 -7.1638 -5.9425 -5.9425 -5.9384 -5.9384 -4.9156 -4.9156 -4.9113 -4.9113 -4.1770 -4.1770 -4.1725 -4.1725 -3.7737 -3.7737 -3.7714 -3.7714 -1.3010 -1.3010 -1.2934 -1.2934 -0.8688 -0.8688 -0.8632 -0.8632 -0.3206 -0.3206 -0.3125 -0.3125 -0.2285 -0.2285 -0.2194 -0.2194 5.0117 5.0117 5.0135 5.0135 5.5076 5.5076 5.5097 5.5097 8.2439 8.2439 8.2491 8.2491 k = 0.2364 0.2364 0.2537 ( 4854 PWs) bands (ev): -21.8319 -21.8319 -21.8318 -21.8318 -21.5349 -21.5349 -21.5349 -21.5349 -16.1428 -16.1428 -16.1426 -16.1426 -15.6831 -15.6831 -15.6829 -15.6829 -7.4704 -7.4704 -7.4678 -7.4678 -7.1682 -7.1682 -7.1645 -7.1645 -5.9486 -5.9486 -5.9444 -5.9444 -4.8882 -4.8882 -4.8839 -4.8839 -4.1791 -4.1791 -4.1745 -4.1745 -3.7722 -3.7722 -3.7699 -3.7699 -1.3139 -1.3139 -1.3062 -1.3062 -0.8914 -0.8914 -0.8860 -0.8860 -0.3228 -0.3228 -0.3153 -0.3153 -0.2259 -0.2259 -0.2170 -0.2170 5.0147 5.0147 5.0165 5.0165 5.5083 5.5083 5.5104 5.5104 8.1854 8.1854 8.1906 8.1906 k = 0.2273 0.2273 0.2537 ( 4850 PWs) bands (ev): -21.8397 -21.8397 -21.8396 -21.8396 -21.5304 -21.5304 -21.5304 -21.5304 -16.1409 -16.1409 -16.1407 -16.1407 -15.6781 -15.6781 -15.6779 -15.6779 -7.4662 -7.4662 -7.4636 -7.4636 -7.1692 -7.1692 -7.1655 -7.1655 -5.9543 -5.9543 -5.9501 -5.9501 -4.8610 -4.8610 -4.8566 -4.8566 -4.1807 -4.1807 -4.1761 -4.1761 -3.7721 -3.7721 -3.7698 -3.7698 -1.3258 -1.3258 -1.3179 -1.3179 -0.9142 -0.9142 -0.9089 -0.9089 -0.3254 -0.3254 -0.3185 -0.3185 -0.2229 -0.2229 -0.2141 -0.2141 5.0191 5.0191 5.0208 5.0208 5.5089 5.5089 5.5110 5.5110 8.1269 8.1269 8.1320 8.1320 k = 0.2182 0.2182 0.2537 ( 4854 PWs) bands (ev): -21.8474 -21.8474 -21.8474 -21.8474 -21.5260 -21.5260 -21.5260 -21.5260 -16.1386 -16.1386 -16.1384 -16.1384 -15.6736 -15.6736 -15.6735 -15.6735 -7.4615 -7.4615 -7.4589 -7.4589 -7.1705 -7.1705 -7.1667 -7.1667 -5.9599 -5.9599 -5.9556 -5.9556 -4.8340 -4.8340 -4.8296 -4.8296 -4.1818 -4.1818 -4.1771 -4.1771 -3.7735 -3.7735 -3.7712 -3.7712 -1.3368 -1.3368 -1.3287 -1.3287 -0.9371 -0.9371 -0.9318 -0.9318 -0.3284 -0.3284 -0.3220 -0.3220 -0.2196 -0.2196 -0.2109 -0.2109 5.0250 5.0250 5.0267 5.0267 5.5092 5.5092 5.5114 5.5114 8.0684 8.0684 8.0735 8.0735 k = 0.2091 0.2091 0.2537 ( 4852 PWs) bands (ev): -21.8550 -21.8550 -21.8550 -21.8550 -21.5217 -21.5217 -21.5217 -21.5217 -16.1359 -16.1359 -16.1357 -16.1357 -15.6697 -15.6697 -15.6695 -15.6695 -7.4562 -7.4562 -7.4537 -7.4537 -7.1721 -7.1721 -7.1682 -7.1682 -5.9652 -5.9652 -5.9608 -5.9608 -4.8073 -4.8073 -4.8030 -4.8030 -4.1823 -4.1823 -4.1777 -4.1777 -3.7763 -3.7763 -3.7740 -3.7740 -1.3469 -1.3469 -1.3386 -1.3386 -0.9598 -0.9598 -0.9547 -0.9547 -0.3316 -0.3316 -0.3257 -0.3257 -0.2161 -0.2161 -0.2075 -0.2075 5.0322 5.0322 5.0339 5.0339 5.5094 5.5094 5.5116 5.5116 8.0101 8.0101 8.0151 8.0151 k = 0.2000 0.2000 0.2537 ( 4856 PWs) bands (ev): -21.8624 -21.8624 -21.8624 -21.8624 -21.5174 -21.5174 -21.5174 -21.5174 -16.1328 -16.1328 -16.1327 -16.1327 -15.6663 -15.6663 -15.6661 -15.6661 -7.4505 -7.4505 -7.4481 -7.4481 -7.1739 -7.1739 -7.1699 -7.1699 -5.9704 -5.9704 -5.9659 -5.9659 -4.7810 -4.7810 -4.7766 -4.7766 -4.1824 -4.1824 -4.1778 -4.1778 -3.7806 -3.7806 -3.7782 -3.7782 -1.3562 -1.3562 -1.3477 -1.3477 -0.9823 -0.9823 -0.9772 -0.9772 -0.3350 -0.3350 -0.3295 -0.3295 -0.2124 -0.2124 -0.2040 -0.2040 5.0409 5.0409 5.0426 5.0426 5.5094 5.5094 5.5117 5.5117 7.9521 7.9521 7.9570 7.9570 k = 0.1909 0.1909 0.2537 ( 4848 PWs) bands (ev): -21.8697 -21.8697 -21.8697 -21.8697 -21.5132 -21.5132 -21.5132 -21.5132 -16.1295 -16.1295 -16.1293 -16.1293 -15.6633 -15.6633 -15.6632 -15.6632 -7.4444 -7.4444 -7.4420 -7.4420 -7.1758 -7.1758 -7.1718 -7.1718 -5.9753 -5.9753 -5.9707 -5.9707 -4.7551 -4.7551 -4.7507 -4.7507 -4.1820 -4.1820 -4.1774 -4.1774 -3.7862 -3.7862 -3.7838 -3.7838 -1.3647 -1.3647 -1.3561 -1.3561 -1.0043 -1.0043 -0.9994 -0.9994 -0.3384 -0.3384 -0.3333 -0.3333 -0.2087 -0.2087 -0.2004 -0.2004 5.0510 5.0510 5.0526 5.0526 5.5092 5.5092 5.5116 5.5116 7.8945 7.8945 7.8994 7.8994 k = 0.1818 0.1818 0.2537 ( 4840 PWs) bands (ev): -21.8769 -21.8769 -21.8768 -21.8768 -21.5092 -21.5092 -21.5091 -21.5091 -16.1258 -16.1258 -16.1256 -16.1256 -15.6609 -15.6609 -15.6607 -15.6607 -7.4380 -7.4380 -7.4356 -7.4356 -7.1779 -7.1779 -7.1739 -7.1739 -5.9800 -5.9800 -5.9754 -5.9754 -4.7296 -4.7296 -4.7253 -4.7253 -4.1812 -4.1812 -4.1765 -4.1765 -3.7931 -3.7931 -3.7907 -3.7907 -1.3725 -1.3725 -1.3638 -1.3638 -1.0259 -1.0259 -1.0209 -1.0209 -0.3419 -0.3419 -0.3371 -0.3371 -0.2049 -0.2049 -0.1968 -0.1968 5.0623 5.0623 5.0639 5.0639 5.5088 5.5088 5.5112 5.5112 7.8375 7.8375 7.8423 7.8423 k = 0.1727 0.1727 0.2537 ( 4850 PWs) bands (ev): -21.8838 -21.8838 -21.8838 -21.8838 -21.5052 -21.5052 -21.5052 -21.5052 -16.1219 -16.1219 -16.1217 -16.1217 -15.6589 -15.6589 -15.6588 -15.6588 -7.4312 -7.4312 -7.4289 -7.4289 -7.1802 -7.1802 -7.1760 -7.1760 -5.9845 -5.9845 -5.9799 -5.9799 -4.7047 -4.7047 -4.7004 -4.7004 -4.1798 -4.1798 -4.1751 -4.1751 -3.8013 -3.8013 -3.7988 -3.7988 -1.3798 -1.3798 -1.3709 -1.3709 -1.0467 -1.0467 -1.0419 -1.0419 -0.3453 -0.3453 -0.3408 -0.3408 -0.2012 -0.2012 -0.1933 -0.1933 5.0749 5.0749 5.0764 5.0764 5.5082 5.5082 5.5107 5.5107 7.7813 7.7813 7.7860 7.7860 k = 0.1636 0.1636 0.2537 ( 4850 PWs) bands (ev): -21.8905 -21.8905 -21.8904 -21.8904 -21.5014 -21.5014 -21.5013 -21.5013 -16.1177 -16.1177 -16.1175 -16.1175 -15.6574 -15.6574 -15.6572 -15.6572 -7.4243 -7.4243 -7.4220 -7.4220 -7.1825 -7.1825 -7.1783 -7.1783 -5.9889 -5.9889 -5.9842 -5.9842 -4.6803 -4.6803 -4.6760 -4.6760 -4.1779 -4.1779 -4.1733 -4.1733 -3.8106 -3.8106 -3.8081 -3.8081 -1.3865 -1.3865 -1.3776 -1.3776 -1.0668 -1.0668 -1.0620 -1.0620 -0.3486 -0.3486 -0.3444 -0.3444 -0.1977 -0.1977 -0.1898 -0.1898 5.0886 5.0886 5.0901 5.0901 5.5074 5.5074 5.5100 5.5100 7.7259 7.7259 7.7305 7.7305 k = 0.1545 0.1545 0.2537 ( 4840 PWs) bands (ev): -21.8969 -21.8969 -21.8969 -21.8969 -21.4976 -21.4976 -21.4976 -21.4976 -16.1134 -16.1134 -16.1132 -16.1132 -15.6563 -15.6563 -15.6561 -15.6561 -7.4171 -7.4171 -7.4149 -7.4149 -7.1849 -7.1849 -7.1807 -7.1807 -5.9930 -5.9930 -5.9883 -5.9883 -4.6566 -4.6566 -4.6523 -4.6523 -4.1756 -4.1756 -4.1710 -4.1710 -3.8210 -3.8210 -3.8184 -3.8184 -1.3929 -1.3929 -1.3838 -1.3838 -1.0859 -1.0859 -1.0812 -1.0812 -0.3518 -0.3518 -0.3479 -0.3479 -0.1942 -0.1942 -0.1864 -0.1864 5.1034 5.1034 5.1048 5.1048 5.5065 5.5065 5.5092 5.5092 7.6716 7.6716 7.6761 7.6761 k = 0.1455 0.1455 0.2537 ( 4834 PWs) bands (ev): -21.9031 -21.9031 -21.9030 -21.9030 -21.4941 -21.4941 -21.4941 -21.4941 -16.1089 -16.1089 -16.1087 -16.1087 -15.6556 -15.6556 -15.6554 -15.6554 -7.4098 -7.4098 -7.4077 -7.4077 -7.1873 -7.1873 -7.1831 -7.1831 -5.9970 -5.9970 -5.9923 -5.9923 -4.6335 -4.6335 -4.6292 -4.6292 -4.1729 -4.1729 -4.1682 -4.1682 -3.8324 -3.8324 -3.8297 -3.8297 -1.3989 -1.3989 -1.3898 -1.3898 -1.1039 -1.1039 -1.0993 -1.0993 -0.3549 -0.3549 -0.3512 -0.3512 -0.1908 -0.1908 -0.1832 -0.1832 5.1191 5.1191 5.1205 5.1205 5.5054 5.5054 5.5081 5.5081 7.6185 7.6185 7.6230 7.6230 k = 0.1364 0.1364 0.2537 ( 4828 PWs) bands (ev): -21.9090 -21.9090 -21.9089 -21.9089 -21.4907 -21.4907 -21.4907 -21.4907 -16.1043 -16.1043 -16.1041 -16.1041 -15.6552 -15.6552 -15.6551 -15.6551 -7.4025 -7.4025 -7.4004 -7.4004 -7.1898 -7.1898 -7.1855 -7.1855 -6.0008 -6.0008 -5.9961 -5.9961 -4.6112 -4.6112 -4.6069 -4.6069 -4.1697 -4.1697 -4.1651 -4.1651 -3.8446 -3.8446 -3.8419 -3.8419 -1.4046 -1.4046 -1.3956 -1.3956 -1.1209 -1.1209 -1.1163 -1.1163 -0.3578 -0.3578 -0.3544 -0.3544 -0.1875 -0.1875 -0.1800 -0.1800 5.1356 5.1356 5.1371 5.1371 5.5040 5.5040 5.5069 5.5069 7.5669 7.5669 7.5712 7.5712 k = 0.1273 0.1273 0.2537 ( 4832 PWs) bands (ev): -21.9146 -21.9146 -21.9145 -21.9145 -21.4874 -21.4874 -21.4874 -21.4874 -16.0996 -16.0996 -16.0994 -16.0994 -15.6552 -15.6552 -15.6551 -15.6551 -7.3951 -7.3951 -7.3931 -7.3931 -7.1922 -7.1922 -7.1879 -7.1879 -6.0044 -6.0044 -5.9997 -5.9997 -4.5896 -4.5896 -4.5854 -4.5854 -4.1661 -4.1661 -4.1615 -4.1615 -3.8575 -3.8575 -3.8548 -3.8548 -1.4102 -1.4102 -1.4012 -1.4012 -1.1366 -1.1366 -1.1322 -1.1322 -0.3606 -0.3606 -0.3573 -0.3573 -0.1845 -0.1845 -0.1771 -0.1771 5.1528 5.1528 5.1543 5.1543 5.5025 5.5025 5.5055 5.5055 7.5169 7.5169 7.5211 7.5211 k = 0.1182 0.1182 0.2537 ( 4836 PWs) bands (ev): -21.9198 -21.9198 -21.9198 -21.9198 -21.4844 -21.4844 -21.4844 -21.4844 -16.0950 -16.0950 -16.0948 -16.0948 -15.6555 -15.6555 -15.6553 -15.6553 -7.3879 -7.3879 -7.3859 -7.3859 -7.1946 -7.1946 -7.1904 -7.1904 -6.0079 -6.0079 -6.0031 -6.0031 -4.5690 -4.5690 -4.5648 -4.5648 -4.1620 -4.1620 -4.1575 -4.1575 -3.8711 -3.8711 -3.8684 -3.8684 -1.4157 -1.4157 -1.4068 -1.4068 -1.1510 -1.1510 -1.1468 -1.1468 -0.3631 -0.3631 -0.3600 -0.3600 -0.1816 -0.1816 -0.1742 -0.1742 5.1706 5.1706 5.1720 5.1720 5.5007 5.5007 5.5038 5.5038 7.4688 7.4688 7.4729 7.4729 k = 0.1091 0.1091 0.2537 ( 4832 PWs) bands (ev): -21.9248 -21.9248 -21.9248 -21.9248 -21.4815 -21.4815 -21.4815 -21.4815 -16.0904 -16.0904 -16.0902 -16.0902 -15.6560 -15.6560 -15.6559 -15.6559 -7.3808 -7.3808 -7.3788 -7.3788 -7.1970 -7.1970 -7.1927 -7.1927 -6.0111 -6.0111 -6.0064 -6.0064 -4.5492 -4.5492 -4.5451 -4.5451 -4.1576 -4.1576 -4.1532 -4.1532 -3.8852 -3.8852 -3.8825 -3.8825 -1.4210 -1.4210 -1.4123 -1.4123 -1.1641 -1.1641 -1.1600 -1.1600 -0.3655 -0.3655 -0.3626 -0.3626 -0.1788 -0.1788 -0.1716 -0.1716 5.1887 5.1887 5.1902 5.1902 5.4988 5.4988 5.5019 5.5019 7.4228 7.4228 7.4267 7.4267 k = 0.1000 0.1000 0.2537 ( 4834 PWs) bands (ev): -21.9294 -21.9294 -21.9294 -21.9294 -21.4788 -21.4788 -21.4788 -21.4788 -16.0859 -16.0859 -16.0857 -16.0857 -15.6568 -15.6568 -15.6566 -15.6566 -7.3738 -7.3738 -7.3720 -7.3720 -7.1994 -7.1994 -7.1951 -7.1951 -6.0141 -6.0141 -6.0094 -6.0094 -4.5304 -4.5304 -4.5263 -4.5263 -4.1528 -4.1528 -4.1484 -4.1484 -3.8997 -3.8997 -3.8969 -3.8969 -1.4263 -1.4263 -1.4177 -1.4177 -1.1758 -1.1758 -1.1720 -1.1720 -0.3676 -0.3676 -0.3649 -0.3649 -0.1762 -0.1762 -0.1691 -0.1691 5.2070 5.2070 5.2085 5.2085 5.4965 5.4965 5.4998 5.4998 7.3791 7.3791 7.3828 7.3828 k = 0.0909 0.0909 0.2537 ( 4834 PWs) bands (ev): -21.9337 -21.9337 -21.9336 -21.9336 -21.4764 -21.4764 -21.4763 -21.4763 -16.0815 -16.0815 -16.0813 -16.0813 -15.6576 -15.6576 -15.6575 -15.6575 -7.3672 -7.3672 -7.3654 -7.3654 -7.2016 -7.2016 -7.1973 -7.1973 -6.0170 -6.0170 -6.0123 -6.0123 -4.5127 -4.5127 -4.5087 -4.5087 -4.1476 -4.1476 -4.1433 -4.1433 -3.9144 -3.9144 -3.9116 -3.9116 -1.4314 -1.4314 -1.4230 -1.4230 -1.1862 -1.1862 -1.1826 -1.1826 -0.3696 -0.3696 -0.3670 -0.3670 -0.1738 -0.1738 -0.1668 -0.1668 5.2253 5.2253 5.2269 5.2269 5.4941 5.4941 5.4974 5.4974 7.3379 7.3379 7.3415 7.3415 k = 0.0818 0.0818 0.2537 ( 4832 PWs) bands (ev): -21.9376 -21.9376 -21.9375 -21.9375 -21.4741 -21.4741 -21.4741 -21.4741 -16.0773 -16.0773 -16.0771 -16.0771 -15.6586 -15.6586 -15.6585 -15.6585 -7.3609 -7.3609 -7.3591 -7.3591 -7.2038 -7.2038 -7.1994 -7.1994 -6.0196 -6.0196 -6.0149 -6.0149 -4.4962 -4.4962 -4.4922 -4.4922 -4.1421 -4.1421 -4.1379 -4.1379 -3.9293 -3.9293 -3.9264 -3.9264 -1.4363 -1.4363 -1.4282 -1.4282 -1.1954 -1.1954 -1.1920 -1.1920 -0.3713 -0.3713 -0.3689 -0.3689 -0.1717 -0.1717 -0.1647 -0.1647 5.2434 5.2434 5.2450 5.2450 5.4914 5.4914 5.4948 5.4948 7.2996 7.2996 7.3030 7.3030 k = 0.0727 0.0727 0.2537 ( 4838 PWs) bands (ev): -21.9411 -21.9411 -21.9410 -21.9410 -21.4721 -21.4721 -21.4720 -21.4720 -16.0734 -16.0734 -16.0733 -16.0733 -15.6597 -15.6597 -15.6595 -15.6595 -7.3550 -7.3550 -7.3533 -7.3533 -7.2058 -7.2058 -7.2015 -7.2015 -6.0220 -6.0220 -6.0173 -6.0173 -4.4809 -4.4809 -4.4770 -4.4770 -4.1362 -4.1362 -4.1320 -4.1320 -3.9441 -3.9441 -3.9412 -3.9412 -1.4411 -1.4411 -1.4331 -1.4331 -1.2033 -1.2033 -1.2002 -1.2002 -0.3729 -0.3729 -0.3706 -0.3706 -0.1697 -0.1697 -0.1627 -0.1627 5.2610 5.2610 5.2627 5.2627 5.4884 5.4884 5.4918 5.4918 7.2643 7.2643 7.2676 7.2676 k = 0.0636 0.0636 0.2537 ( 4834 PWs) bands (ev): -21.9442 -21.9442 -21.9442 -21.9442 -21.4702 -21.4702 -21.4702 -21.4702 -16.0699 -16.0699 -16.0697 -16.0697 -15.6608 -15.6608 -15.6606 -15.6606 -7.3496 -7.3496 -7.3480 -7.3480 -7.2077 -7.2077 -7.2034 -7.2034 -6.0241 -6.0241 -6.0194 -6.0194 -4.4670 -4.4670 -4.4631 -4.4631 -4.1298 -4.1298 -4.1258 -4.1258 -3.9587 -3.9587 -3.9559 -3.9559 -1.4455 -1.4455 -1.4378 -1.4378 -1.2100 -1.2100 -1.2071 -1.2071 -0.3743 -0.3743 -0.3721 -0.3721 -0.1679 -0.1679 -0.1610 -0.1610 5.2779 5.2779 5.2797 5.2797 5.4851 5.4851 5.4886 5.4886 7.2324 7.2324 7.2355 7.2355 k = 0.0545 0.0545 0.2537 ( 4846 PWs) bands (ev): -21.9469 -21.9469 -21.9469 -21.9469 -21.4687 -21.4687 -21.4686 -21.4686 -16.0666 -16.0666 -16.0664 -16.0664 -15.6618 -15.6618 -15.6616 -15.6616 -7.3448 -7.3448 -7.3431 -7.3431 -7.2094 -7.2094 -7.2051 -7.2051 -6.0260 -6.0260 -6.0213 -6.0213 -4.4546 -4.4546 -4.4508 -4.4508 -4.1232 -4.1232 -4.1193 -4.1193 -3.9730 -3.9730 -3.9702 -3.9702 -1.4495 -1.4495 -1.4421 -1.4421 -1.2156 -1.2156 -1.2130 -1.2130 -0.3755 -0.3755 -0.3733 -0.3733 -0.1663 -0.1663 -0.1595 -0.1595 5.2938 5.2938 5.2956 5.2956 5.4817 5.4817 5.4852 5.4852 7.2041 7.2041 7.2070 7.2070 k = 0.0455 0.0455 0.2537 ( 4846 PWs) bands (ev): -21.9492 -21.9492 -21.9492 -21.9492 -21.4673 -21.4673 -21.4673 -21.4673 -16.0638 -16.0638 -16.0636 -16.0636 -15.6628 -15.6628 -15.6626 -15.6626 -7.3405 -7.3405 -7.3389 -7.3389 -7.2109 -7.2109 -7.2066 -7.2066 -6.0276 -6.0276 -6.0229 -6.0229 -4.4438 -4.4438 -4.4400 -4.4400 -4.1162 -4.1162 -4.1125 -4.1125 -3.9867 -3.9867 -3.9839 -3.9839 -1.4531 -1.4531 -1.4459 -1.4459 -1.2202 -1.2202 -1.2178 -1.2178 -0.3765 -0.3765 -0.3744 -0.3744 -0.1650 -0.1650 -0.1582 -0.1582 5.3084 5.3084 5.3103 5.3103 5.4781 5.4781 5.4817 5.4817 7.1797 7.1797 7.1823 7.1823 k = 0.0364 0.0364 0.2537 ( 4854 PWs) bands (ev): -21.9511 -21.9511 -21.9511 -21.9511 -21.4662 -21.4662 -21.4662 -21.4662 -16.0614 -16.0614 -16.0612 -16.0612 -15.6636 -15.6636 -15.6634 -15.6634 -7.3370 -7.3370 -7.3354 -7.3354 -7.2123 -7.2123 -7.2079 -7.2079 -6.0289 -6.0289 -6.0243 -6.0243 -4.4348 -4.4348 -4.4310 -4.4310 -4.1090 -4.1090 -4.1055 -4.1055 -3.9997 -3.9997 -3.9969 -3.9969 -1.4562 -1.4562 -1.4491 -1.4491 -1.2239 -1.2239 -1.2217 -1.2217 -0.3773 -0.3773 -0.3753 -0.3753 -0.1639 -0.1639 -0.1572 -0.1572 5.3213 5.3213 5.3232 5.3232 5.4746 5.4746 5.4781 5.4781 7.1593 7.1593 7.1618 7.1618 k = 0.0273 0.0273 0.2537 ( 4854 PWs) bands (ev): -21.9526 -21.9526 -21.9526 -21.9526 -21.4653 -21.4653 -21.4653 -21.4653 -16.0595 -16.0595 -16.0593 -16.0593 -15.6643 -15.6643 -15.6641 -15.6641 -7.3341 -7.3341 -7.3325 -7.3325 -7.2133 -7.2133 -7.2090 -7.2090 -6.0299 -6.0299 -6.0253 -6.0253 -4.4276 -4.4276 -4.4238 -4.4238 -4.1017 -4.1017 -4.0986 -4.0986 -4.0114 -4.0114 -4.0088 -4.0088 -1.4586 -1.4586 -1.4517 -1.4517 -1.2266 -1.2266 -1.2246 -1.2246 -0.3779 -0.3779 -0.3760 -0.3760 -0.1630 -0.1630 -0.1563 -0.1563 5.3322 5.3322 5.3341 5.3341 5.4713 5.4713 5.4748 5.4748 7.1432 7.1432 7.1456 7.1456 k = 0.0182 0.0182 0.2537 ( 4852 PWs) bands (ev): -21.9537 -21.9537 -21.9537 -21.9537 -21.4647 -21.4647 -21.4647 -21.4647 -16.0582 -16.0582 -16.0580 -16.0580 -15.6648 -15.6648 -15.6647 -15.6647 -7.3320 -7.3320 -7.3305 -7.3305 -7.2141 -7.2141 -7.2098 -7.2098 -6.0307 -6.0307 -6.0261 -6.0261 -4.4223 -4.4223 -4.4186 -4.4186 -4.0949 -4.0949 -4.0924 -4.0924 -4.0212 -4.0212 -4.0191 -4.0191 -1.4604 -1.4604 -1.4536 -1.4536 -1.2286 -1.2286 -1.2266 -1.2266 -0.3784 -0.3784 -0.3765 -0.3765 -0.1624 -0.1624 -0.1557 -0.1557 5.3405 5.3405 5.3423 5.3423 5.4686 5.4686 5.4720 5.4720 7.1316 7.1316 7.1338 7.1338 k = 0.0091 0.0091 0.2537 ( 4848 PWs) bands (ev): -21.9543 -21.9543 -21.9543 -21.9543 -21.4643 -21.4643 -21.4643 -21.4643 -16.0573 -16.0573 -16.0571 -16.0571 -15.6652 -15.6652 -15.6650 -15.6650 -7.3308 -7.3308 -7.3292 -7.3292 -7.2145 -7.2145 -7.2102 -7.2102 -6.0311 -6.0311 -6.0265 -6.0265 -4.4192 -4.4192 -4.4155 -4.4155 -4.0895 -4.0895 -4.0879 -4.0879 -4.0279 -4.0279 -4.0265 -4.0265 -1.4615 -1.4615 -1.4548 -1.4548 -1.2297 -1.2297 -1.2279 -1.2279 -0.3786 -0.3786 -0.3767 -0.3767 -0.1620 -0.1620 -0.1553 -0.1553 5.3458 5.3458 5.3475 5.3475 5.4668 5.4668 5.4701 5.4701 7.1246 7.1246 7.1267 7.1267 k = 0.0000 0.0000 0.2537 ( 4840 PWs) bands (ev): -21.9545 -21.9545 -21.9545 -21.9545 -21.4642 -21.4642 -21.4642 -21.4642 -16.0570 -16.0570 -16.0568 -16.0568 -15.6653 -15.6653 -15.6651 -15.6651 -7.3303 -7.3303 -7.3288 -7.3288 -7.2147 -7.2147 -7.2104 -7.2104 -6.0313 -6.0313 -6.0267 -6.0267 -4.4181 -4.4181 -4.4144 -4.4144 -4.0870 -4.0870 -4.0864 -4.0864 -4.0301 -4.0301 -4.0296 -4.0296 -1.4618 -1.4618 -1.4552 -1.4552 -1.2301 -1.2301 -1.2283 -1.2283 -0.3787 -0.3787 -0.3768 -0.3768 -0.1619 -0.1619 -0.1552 -0.1552 5.3476 5.3476 5.3493 5.3493 5.4662 5.4662 5.4694 5.4694 7.1223 7.1223 7.1244 7.1244 k = 0.0000 0.5000-0.0000 ( 4832 PWs) bands (ev): -21.7721 -21.7721 -21.7721 -21.7721 -21.5919 -21.5919 -21.5919 -21.5919 -16.2067 -16.2067 -16.2066 -16.2066 -15.6206 -15.6206 -15.6205 -15.6205 -7.5785 -7.5785 -7.5765 -7.5765 -7.0658 -7.0658 -7.0612 -7.0612 -6.0062 -6.0062 -6.0041 -6.0041 -4.7345 -4.7345 -4.7332 -4.7332 -4.3742 -4.3742 -4.3684 -4.3684 -3.6310 -3.6310 -3.6225 -3.6225 -1.2317 -1.2317 -1.2297 -1.2297 -0.8698 -0.8698 -0.8623 -0.8623 -0.6735 -0.6735 -0.6725 -0.6725 -0.0140 -0.0140 -0.0078 -0.0078 4.9232 4.9232 4.9258 4.9258 5.4857 5.4857 5.4911 5.4911 8.6414 8.6414 8.6425 8.6425 k = 0.0000 0.5000 0.0127 ( 4842 PWs) bands (ev): -21.7721 -21.7721 -21.7721 -21.7721 -21.5919 -21.5919 -21.5919 -21.5919 -16.2067 -16.2067 -16.2066 -16.2066 -15.6207 -15.6207 -15.6206 -15.6206 -7.5785 -7.5785 -7.5765 -7.5765 -7.0657 -7.0657 -7.0612 -7.0612 -6.0063 -6.0063 -6.0041 -6.0041 -4.7357 -4.7357 -4.7344 -4.7344 -4.3726 -4.3726 -4.3668 -4.3668 -3.6313 -3.6313 -3.6228 -3.6228 -1.2323 -1.2323 -1.2303 -1.2303 -0.8694 -0.8694 -0.8620 -0.8620 -0.6732 -0.6732 -0.6722 -0.6722 -0.0141 -0.0141 -0.0080 -0.0080 4.9236 4.9236 4.9262 4.9262 5.4853 5.4853 5.4907 5.4907 8.6419 8.6419 8.6431 8.6431 k = 0.0000 0.5000 0.0254 ( 4842 PWs) bands (ev): -21.7721 -21.7721 -21.7720 -21.7720 -21.5920 -21.5920 -21.5919 -21.5919 -16.2066 -16.2066 -16.2065 -16.2065 -15.6208 -15.6208 -15.6207 -15.6207 -7.5784 -7.5784 -7.5764 -7.5764 -7.0655 -7.0655 -7.0610 -7.0610 -6.0065 -6.0065 -6.0043 -6.0043 -4.7395 -4.7395 -4.7381 -4.7381 -4.3677 -4.3677 -4.3620 -4.3620 -3.6322 -3.6322 -3.6238 -3.6238 -1.2342 -1.2342 -1.2322 -1.2322 -0.8683 -0.8683 -0.8610 -0.8610 -0.6722 -0.6722 -0.6712 -0.6712 -0.0145 -0.0145 -0.0084 -0.0084 4.9248 4.9248 4.9274 4.9274 5.4842 5.4842 5.4896 5.4896 8.6437 8.6437 8.6448 8.6448 k = 0.0000 0.5000 0.0381 ( 4842 PWs) bands (ev): -21.7720 -21.7720 -21.7720 -21.7720 -21.5920 -21.5920 -21.5920 -21.5920 -16.2065 -16.2065 -16.2064 -16.2064 -15.6209 -15.6209 -15.6208 -15.6208 -7.5783 -7.5783 -7.5764 -7.5764 -7.0651 -7.0651 -7.0606 -7.0606 -6.0068 -6.0068 -6.0047 -6.0047 -4.7454 -4.7454 -4.7440 -4.7440 -4.3599 -4.3599 -4.3542 -4.3542 -3.6338 -3.6338 -3.6255 -3.6255 -1.2372 -1.2372 -1.2351 -1.2351 -0.8666 -0.8666 -0.8595 -0.8595 -0.6707 -0.6707 -0.6695 -0.6695 -0.0152 -0.0152 -0.0092 -0.0092 4.9269 4.9269 4.9295 4.9295 5.4823 5.4823 5.4877 5.4877 8.6465 8.6465 8.6476 8.6477 k = 0.0000 0.5000 0.0507 ( 4844 PWs) bands (ev): -21.7719 -21.7719 -21.7719 -21.7719 -21.5921 -21.5921 -21.5921 -21.5921 -16.2063 -16.2063 -16.2062 -16.2062 -15.6211 -15.6211 -15.6210 -15.6210 -7.5782 -7.5782 -7.5763 -7.5763 -7.0645 -7.0645 -7.0602 -7.0602 -6.0072 -6.0072 -6.0051 -6.0051 -4.7531 -4.7531 -4.7517 -4.7517 -4.3496 -4.3496 -4.3440 -4.3440 -3.6360 -3.6360 -3.6278 -3.6278 -1.2413 -1.2413 -1.2392 -1.2391 -0.8644 -0.8644 -0.8575 -0.8575 -0.6685 -0.6685 -0.6672 -0.6672 -0.0161 -0.0161 -0.0102 -0.0102 4.9298 4.9298 4.9324 4.9324 5.4798 5.4798 5.4851 5.4851 8.6505 8.6505 8.6516 8.6516 k = 0.0000 0.5000 0.0634 ( 4836 PWs) bands (ev): -21.7718 -21.7718 -21.7718 -21.7718 -21.5922 -21.5922 -21.5922 -21.5922 -16.2060 -16.2060 -16.2059 -16.2059 -15.6214 -15.6214 -15.6213 -15.6213 -7.5780 -7.5780 -7.5762 -7.5762 -7.0638 -7.0638 -7.0596 -7.0596 -6.0077 -6.0077 -6.0057 -6.0057 -4.7622 -4.7622 -4.7608 -4.7608 -4.3371 -4.3371 -4.3316 -4.3316 -3.6388 -3.6388 -3.6307 -3.6307 -1.2462 -1.2462 -1.2440 -1.2440 -0.8619 -0.8619 -0.8552 -0.8552 -0.6656 -0.6656 -0.6642 -0.6642 -0.0173 -0.0173 -0.0115 -0.0115 4.9334 4.9334 4.9360 4.9360 5.4766 5.4766 5.4818 5.4818 8.6554 8.6554 8.6566 8.6566 k = 0.0000 0.5000 0.0761 ( 4852 PWs) bands (ev): -21.7717 -21.7717 -21.7717 -21.7717 -21.5923 -21.5923 -21.5923 -21.5923 -16.2057 -16.2057 -16.2056 -16.2056 -15.6217 -15.6217 -15.6216 -15.6216 -7.5779 -7.5779 -7.5761 -7.5761 -7.0630 -7.0630 -7.0590 -7.0590 -6.0083 -6.0083 -6.0064 -6.0064 -4.7723 -4.7723 -4.7709 -4.7709 -4.3231 -4.3231 -4.3177 -4.3177 -3.6421 -3.6421 -3.6342 -3.6342 -1.2518 -1.2518 -1.2496 -1.2496 -0.8592 -0.8592 -0.8529 -0.8529 -0.6622 -0.6622 -0.6606 -0.6606 -0.0187 -0.0187 -0.0130 -0.0130 4.9377 4.9377 4.9402 4.9402 5.4728 5.4728 5.4779 5.4779 8.6613 8.6613 8.6624 8.6624 k = 0.0000 0.5000 0.0888 ( 4852 PWs) bands (ev): -21.7716 -21.7716 -21.7716 -21.7716 -21.5925 -21.5925 -21.5924 -21.5924 -16.2054 -16.2054 -16.2053 -16.2053 -15.6221 -15.6221 -15.6220 -15.6220 -7.5777 -7.5777 -7.5759 -7.5759 -7.0621 -7.0621 -7.0582 -7.0582 -6.0090 -6.0090 -6.0071 -6.0071 -4.7829 -4.7829 -4.7816 -4.7816 -4.3079 -4.3079 -4.3026 -4.3026 -3.6459 -3.6459 -3.6382 -3.6382 -1.2579 -1.2579 -1.2557 -1.2557 -0.8564 -0.8564 -0.8505 -0.8505 -0.6582 -0.6582 -0.6565 -0.6565 -0.0202 -0.0202 -0.0148 -0.0148 4.9426 4.9426 4.9451 4.9451 5.4686 5.4686 5.4735 5.4735 8.6680 8.6680 8.6692 8.6692 k = 0.0000 0.5000 0.1015 ( 4844 PWs) bands (ev): -21.7715 -21.7715 -21.7714 -21.7714 -21.5926 -21.5926 -21.5926 -21.5926 -16.2050 -16.2050 -16.2049 -16.2049 -15.6224 -15.6224 -15.6224 -15.6224 -7.5774 -7.5774 -7.5758 -7.5758 -7.0611 -7.0611 -7.0574 -7.0574 -6.0097 -6.0097 -6.0080 -6.0079 -4.7938 -4.7938 -4.7926 -4.7926 -4.2919 -4.2919 -4.2868 -4.2868 -3.6501 -3.6501 -3.6426 -3.6426 -1.2642 -1.2642 -1.2621 -1.2621 -0.8538 -0.8537 -0.8483 -0.8483 -0.6536 -0.6536 -0.6518 -0.6518 -0.0219 -0.0219 -0.0167 -0.0167 4.9480 4.9480 4.9504 4.9504 5.4638 5.4638 5.4685 5.4685 8.6755 8.6755 8.6766 8.6766 k = 0.0000 0.5000 0.1142 ( 4848 PWs) bands (ev): -21.7713 -21.7713 -21.7713 -21.7713 -21.5928 -21.5928 -21.5927 -21.5927 -16.2046 -16.2046 -16.2046 -16.2046 -15.6228 -15.6228 -15.6228 -15.6228 -7.5772 -7.5772 -7.5757 -7.5757 -7.0600 -7.0600 -7.0566 -7.0566 -6.0105 -6.0105 -6.0088 -6.0088 -4.8047 -4.8047 -4.8035 -4.8035 -4.2755 -4.2755 -4.2706 -4.2706 -3.6547 -3.6547 -3.6475 -3.6475 -1.2707 -1.2707 -1.2686 -1.2686 -0.8513 -0.8513 -0.8463 -0.8463 -0.6487 -0.6486 -0.6468 -0.6468 -0.0238 -0.0238 -0.0188 -0.0188 4.9538 4.9538 4.9562 4.9562 5.4587 5.4587 5.4632 5.4632 8.6835 8.6835 8.6847 8.6847 k = 0.0000 0.5000 0.1269 ( 4854 PWs) bands (ev): -21.7712 -21.7712 -21.7712 -21.7712 -21.5930 -21.5930 -21.5929 -21.5929 -16.2043 -16.2043 -16.2042 -16.2042 -15.6232 -15.6232 -15.6232 -15.6232 -7.5769 -7.5769 -7.5755 -7.5755 -7.0589 -7.0589 -7.0557 -7.0557 -6.0113 -6.0113 -6.0097 -6.0097 -4.8152 -4.8152 -4.8141 -4.8141 -4.2591 -4.2591 -4.2543 -4.2543 -3.6596 -3.6596 -3.6528 -3.6528 -1.2772 -1.2772 -1.2752 -1.2752 -0.8491 -0.8491 -0.8445 -0.8445 -0.6434 -0.6434 -0.6415 -0.6414 -0.0257 -0.0257 -0.0210 -0.0210 4.9599 4.9599 4.9622 4.9622 5.4534 5.4534 5.4577 5.4577 8.6920 8.6920 8.6931 8.6931 k = 0.0000 0.5000 0.1396 ( 4864 PWs) bands (ev): -21.7711 -21.7711 -21.7710 -21.7710 -21.5931 -21.5931 -21.5931 -21.5931 -16.2039 -16.2039 -16.2038 -16.2038 -15.6236 -15.6236 -15.6236 -15.6236 -7.5767 -7.5767 -7.5754 -7.5754 -7.0578 -7.0578 -7.0549 -7.0549 -6.0121 -6.0121 -6.0107 -6.0107 -4.8253 -4.8253 -4.8242 -4.8242 -4.2430 -4.2430 -4.2385 -4.2385 -3.6646 -3.6646 -3.6582 -3.6582 -1.2834 -1.2834 -1.2815 -1.2815 -0.8472 -0.8472 -0.8431 -0.8431 -0.6379 -0.6379 -0.6360 -0.6360 -0.0276 -0.0276 -0.0232 -0.0232 4.9661 4.9661 4.9683 4.9683 5.4479 5.4479 5.4519 5.4519 8.7007 8.7007 8.7018 8.7018 k = 0.0000 0.5000 0.1522 ( 4852 PWs) bands (ev): -21.7709 -21.7709 -21.7709 -21.7709 -21.5933 -21.5933 -21.5932 -21.5932 -16.2035 -16.2035 -16.2034 -16.2034 -15.6240 -15.6240 -15.6240 -15.6240 -7.5764 -7.5764 -7.5753 -7.5753 -7.0567 -7.0567 -7.0540 -7.0540 -6.0129 -6.0129 -6.0116 -6.0116 -4.8347 -4.8347 -4.8337 -4.8337 -4.2274 -4.2274 -4.2232 -4.2232 -3.6697 -3.6697 -3.6638 -3.6638 -1.2893 -1.2893 -1.2876 -1.2876 -0.8456 -0.8456 -0.8420 -0.8420 -0.6324 -0.6324 -0.6305 -0.6305 -0.0295 -0.0295 -0.0255 -0.0255 4.9724 4.9724 4.9744 4.9744 5.4425 5.4425 5.4462 5.4462 8.7095 8.7095 8.7105 8.7105 k = 0.0000 0.5000 0.1649 ( 4848 PWs) bands (ev): -21.7708 -21.7708 -21.7708 -21.7708 -21.5934 -21.5934 -21.5934 -21.5934 -16.2031 -16.2031 -16.2031 -16.2031 -15.6244 -15.6244 -15.6243 -15.6243 -7.5762 -7.5762 -7.5752 -7.5752 -7.0557 -7.0557 -7.0532 -7.0532 -6.0136 -6.0136 -6.0124 -6.0124 -4.8432 -4.8432 -4.8423 -4.8423 -4.2127 -4.2127 -4.2089 -4.2089 -3.6747 -3.6747 -3.6693 -3.6693 -1.2948 -1.2948 -1.2932 -1.2932 -0.8443 -0.8443 -0.8412 -0.8412 -0.6271 -0.6271 -0.6253 -0.6253 -0.0313 -0.0313 -0.0277 -0.0277 4.9785 4.9785 4.9803 4.9803 5.4372 5.4372 5.4406 5.4406 8.7180 8.7180 8.7189 8.7189 k = 0.0000 0.5000 0.1776 ( 4830 PWs) bands (ev): -21.7706 -21.7706 -21.7706 -21.7706 -21.5935 -21.5935 -21.5935 -21.5935 -16.2028 -16.2028 -16.2027 -16.2027 -15.6247 -15.6247 -15.6247 -15.6247 -7.5760 -7.5760 -7.5750 -7.5750 -7.0546 -7.0546 -7.0525 -7.0525 -6.0143 -6.0143 -6.0132 -6.0132 -4.8508 -4.8508 -4.8501 -4.8501 -4.1992 -4.1992 -4.1957 -4.1957 -3.6795 -3.6795 -3.6746 -3.6746 -1.2997 -1.2997 -1.2983 -1.2983 -0.8433 -0.8433 -0.8406 -0.8406 -0.6220 -0.6220 -0.6203 -0.6203 -0.0329 -0.0329 -0.0297 -0.0297 4.9843 4.9843 4.9859 4.9859 5.4323 5.4323 5.4352 5.4352 8.7261 8.7261 8.7270 8.7270 k = 0.0000 0.5000 0.1903 ( 4830 PWs) bands (ev): -21.7705 -21.7705 -21.7705 -21.7705 -21.5937 -21.5937 -21.5936 -21.5936 -16.2025 -16.2025 -16.2024 -16.2024 -15.6250 -15.6250 -15.6250 -15.6250 -7.5757 -7.5757 -7.5750 -7.5750 -7.0537 -7.0537 -7.0519 -7.0519 -6.0149 -6.0149 -6.0140 -6.0140 -4.8574 -4.8574 -4.8568 -4.8568 -4.1871 -4.1871 -4.1841 -4.1841 -3.6838 -3.6838 -3.6796 -3.6796 -1.3040 -1.3040 -1.3028 -1.3028 -0.8425 -0.8424 -0.8402 -0.8402 -0.6174 -0.6174 -0.6159 -0.6159 -0.0344 -0.0344 -0.0317 -0.0317 4.9895 4.9896 4.9910 4.9910 5.4278 5.4278 5.4303 5.4303 8.7336 8.7336 8.7343 8.7343 k = 0.0000 0.5000 0.2030 ( 4836 PWs) bands (ev): -21.7704 -21.7704 -21.7704 -21.7704 -21.5938 -21.5938 -21.5938 -21.5938 -16.2022 -16.2022 -16.2022 -16.2022 -15.6253 -15.6253 -15.6253 -15.6253 -7.5755 -7.5755 -7.5749 -7.5749 -7.0529 -7.0529 -7.0515 -7.0515 -6.0154 -6.0154 -6.0146 -6.0146 -4.8629 -4.8629 -4.8623 -4.8623 -4.1768 -4.1768 -4.1742 -4.1742 -3.6876 -3.6876 -3.6842 -3.6842 -1.3075 -1.3075 -1.3066 -1.3066 -0.8418 -0.8418 -0.8400 -0.8400 -0.6134 -0.6133 -0.6121 -0.6121 -0.0356 -0.0356 -0.0334 -0.0334 4.9942 4.9942 4.9954 4.9954 5.4239 5.4239 5.4260 5.4260 8.7401 8.7401 8.7407 8.7407 k = 0.0000 0.5000 0.2157 ( 4852 PWs) bands (ev): -21.7704 -21.7704 -21.7704 -21.7704 -21.5939 -21.5939 -21.5938 -21.5938 -16.2020 -16.2020 -16.2020 -16.2020 -15.6255 -15.6255 -15.6255 -15.6255 -7.5754 -7.5754 -7.5749 -7.5749 -7.0522 -7.0522 -7.0511 -7.0511 -6.0157 -6.0157 -6.0152 -6.0152 -4.8672 -4.8672 -4.8668 -4.8668 -4.1683 -4.1683 -4.1664 -4.1664 -3.6906 -3.6906 -3.6880 -3.6880 -1.3103 -1.3103 -1.3096 -1.3096 -0.8413 -0.8413 -0.8400 -0.8400 -0.6101 -0.6100 -0.6091 -0.6091 -0.0365 -0.0365 -0.0348 -0.0348 4.9980 4.9980 4.9989 4.9989 5.4207 5.4207 5.4223 5.4223 8.7454 8.7454 8.7459 8.7459 k = 0.0000 0.5000 0.2284 ( 4858 PWs) bands (ev): -21.7703 -21.7703 -21.7703 -21.7703 -21.5939 -21.5939 -21.5939 -21.5939 -16.2019 -16.2019 -16.2019 -16.2019 -15.6257 -15.6257 -15.6257 -15.6257 -7.5752 -7.5752 -7.5749 -7.5749 -7.0517 -7.0517 -7.0509 -7.0509 -6.0160 -6.0160 -6.0156 -6.0156 -4.8703 -4.8703 -4.8700 -4.8700 -4.1620 -4.1620 -4.1607 -4.1607 -3.6928 -3.6928 -3.6910 -3.6910 -1.3123 -1.3123 -1.3118 -1.3118 -0.8409 -0.8409 -0.8400 -0.8400 -0.6076 -0.6076 -0.6069 -0.6069 -0.0371 -0.0371 -0.0360 -0.0360 5.0009 5.0009 5.0015 5.0015 5.4184 5.4184 5.4195 5.4195 8.7494 8.7494 8.7498 8.7498 k = 0.0000 0.5000 0.2411 ( 4840 PWs) bands (ev): -21.7703 -21.7703 -21.7703 -21.7703 -21.5940 -21.5940 -21.5939 -21.5939 -16.2018 -16.2018 -16.2018 -16.2018 -15.6258 -15.6258 -15.6258 -15.6258 -7.5751 -7.5751 -7.5749 -7.5749 -7.0512 -7.0512 -7.0509 -7.0509 -6.0161 -6.0161 -6.0159 -6.0159 -4.8721 -4.8721 -4.8720 -4.8720 -4.1580 -4.1580 -4.1574 -4.1574 -3.6939 -3.6939 -3.6930 -3.6930 -1.3135 -1.3135 -1.3132 -1.3132 -0.8406 -0.8406 -0.8401 -0.8401 -0.6060 -0.6060 -0.6056 -0.6056 -0.0374 -0.0374 -0.0368 -0.0368 5.0027 5.0027 5.0031 5.0031 5.4172 5.4172 5.4177 5.4177 8.7520 8.7520 8.7521 8.7521 k = 0.0000 0.5000 0.2537 ( 4840 PWs) bands (ev): -21.7702 -21.7702 -21.7702 -21.7702 -21.5940 -21.5940 -21.5940 -21.5940 -16.2017 -16.2017 -16.2017 -16.2017 -15.6258 -15.6258 -15.6258 -15.6258 -7.5750 -7.5750 -7.5750 -7.5750 -7.0510 -7.0510 -7.0510 -7.0510 -6.0161 -6.0161 -6.0161 -6.0161 -4.8727 -4.8727 -4.8727 -4.8727 -4.1565 -4.1565 -4.1565 -4.1565 -3.6940 -3.6940 -3.6940 -3.6940 -1.3138 -1.3138 -1.3138 -1.3138 -0.8403 -0.8403 -0.8403 -0.8403 -0.6053 -0.6053 -0.6053 -0.6053 -0.0373 -0.0373 -0.0373 -0.0373 5.0035 5.0035 5.0035 5.0035 5.4169 5.4169 5.4169 5.4169 8.7529 8.7529 8.7529 8.7529 k = 0.5000 0.5000-0.0000 ( 4840 PWs) bands (ev): -21.6578 -21.6578 -21.6577 -21.6577 -21.6411 -21.6411 -21.6410 -21.6410 -16.0048 -16.0048 -16.0047 -16.0047 -15.9637 -15.9637 -15.9636 -15.9636 -7.3638 -7.3638 -7.3637 -7.3637 -7.3096 -7.3096 -7.3095 -7.3095 -5.7741 -5.7741 -5.7740 -5.7740 -5.3216 -5.3216 -5.3215 -5.3215 -4.2990 -4.2990 -4.2988 -4.2988 -3.8659 -3.8659 -3.8658 -3.8658 -0.8192 -0.8192 -0.8190 -0.8190 -0.7635 -0.7635 -0.7635 -0.7635 -0.2233 -0.2233 -0.2232 -0.2232 -0.1864 -0.1864 -0.1863 -0.1863 5.3171 5.3171 5.3173 5.3173 5.3500 5.3500 5.3502 5.3502 9.2058 9.2058 9.2058 9.2058 k = 0.5000 0.5000 0.0127 ( 4832 PWs) bands (ev): -21.6578 -21.6578 -21.6576 -21.6576 -21.6411 -21.6411 -21.6410 -21.6410 -16.0047 -16.0047 -16.0046 -16.0046 -15.9638 -15.9638 -15.9636 -15.9636 -7.3637 -7.3637 -7.3636 -7.3636 -7.3096 -7.3095 -7.3095 -7.3094 -5.7737 -5.7737 -5.7737 -5.7736 -5.3228 -5.3228 -5.3227 -5.3227 -4.2979 -4.2978 -4.2978 -4.2976 -3.8663 -3.8662 -3.8662 -3.8661 -0.8189 -0.8189 -0.8188 -0.8188 -0.7635 -0.7634 -0.7634 -0.7634 -0.2235 -0.2234 -0.2233 -0.2232 -0.1867 -0.1866 -0.1865 -0.1864 5.3172 5.3172 5.3173 5.3173 5.3500 5.3500 5.3501 5.3501 9.2068 9.2068 9.2071 9.2071 k = 0.5000 0.5000 0.0254 ( 4856 PWs) bands (ev): -21.6577 -21.6577 -21.6576 -21.6576 -21.6412 -21.6412 -21.6411 -21.6411 -16.0046 -16.0046 -16.0044 -16.0044 -15.9640 -15.9640 -15.9638 -15.9638 -7.3633 -7.3632 -7.3632 -7.3631 -7.3097 -7.3096 -7.3096 -7.3095 -5.7726 -5.7726 -5.7725 -5.7725 -5.3266 -5.3265 -5.3264 -5.3264 -4.2945 -4.2944 -4.2943 -4.2942 -3.8676 -3.8676 -3.8675 -3.8674 -0.8183 -0.8183 -0.8182 -0.8181 -0.7633 -0.7633 -0.7633 -0.7632 -0.2238 -0.2236 -0.2235 -0.2234 -0.1874 -0.1873 -0.1870 -0.1869 5.3172 5.3173 5.3173 5.3174 5.3497 5.3498 5.3498 5.3499 9.2100 9.2101 9.2107 9.2107 k = 0.5000 0.5000 0.0381 ( 4856 PWs) bands (ev): -21.6576 -21.6576 -21.6574 -21.6574 -21.6414 -21.6414 -21.6412 -21.6412 -16.0042 -16.0042 -16.0041 -16.0041 -15.9643 -15.9643 -15.9642 -15.9642 -7.3626 -7.3625 -7.3625 -7.3624 -7.3098 -7.3097 -7.3096 -7.3095 -5.7707 -5.7707 -5.7706 -5.7705 -5.3326 -5.3325 -5.3325 -5.3324 -4.2890 -4.2889 -4.2886 -4.2885 -3.8698 -3.8697 -3.8695 -3.8695 -0.8171 -0.8171 -0.8170 -0.8170 -0.7630 -0.7630 -0.7629 -0.7629 -0.2242 -0.2241 -0.2238 -0.2237 -0.1884 -0.1883 -0.1878 -0.1877 5.3173 5.3175 5.3175 5.3176 5.3493 5.3494 5.3494 5.3495 9.2157 9.2157 9.2166 9.2166 k = 0.5000 0.5000 0.0507 ( 4836 PWs) bands (ev): -21.6574 -21.6574 -21.6572 -21.6572 -21.6415 -21.6415 -21.6414 -21.6414 -16.0038 -16.0038 -16.0037 -16.0037 -15.9647 -15.9647 -15.9646 -15.9646 -7.3617 -7.3615 -7.3615 -7.3614 -7.3099 -7.3098 -7.3097 -7.3096 -5.7681 -5.7680 -5.7679 -5.7678 -5.3409 -5.3408 -5.3407 -5.3407 -4.2814 -4.2813 -4.2809 -4.2808 -3.8728 -3.8727 -3.8725 -3.8724 -0.8156 -0.8155 -0.8155 -0.8154 -0.7626 -0.7625 -0.7625 -0.7624 -0.2247 -0.2246 -0.2243 -0.2241 -0.1898 -0.1897 -0.1890 -0.1889 5.3175 5.3177 5.3177 5.3179 5.3488 5.3489 5.3489 5.3491 9.2236 9.2236 9.2248 9.2249 k = 0.5000 0.5000 0.0634 ( 4836 PWs) bands (ev): -21.6572 -21.6572 -21.6570 -21.6570 -21.6418 -21.6418 -21.6416 -21.6416 -16.0032 -16.0032 -16.0031 -16.0031 -15.9653 -15.9653 -15.9652 -15.9652 -7.3604 -7.3603 -7.3602 -7.3601 -7.3101 -7.3100 -7.3098 -7.3097 -5.7646 -5.7646 -5.7644 -5.7643 -5.3512 -5.3511 -5.3511 -5.3510 -4.2720 -4.2718 -4.2713 -4.2712 -3.8767 -3.8766 -3.8762 -3.8761 -0.8136 -0.8136 -0.8135 -0.8135 -0.7621 -0.7620 -0.7619 -0.7619 -0.2254 -0.2253 -0.2248 -0.2247 -0.1915 -0.1914 -0.1905 -0.1904 5.3178 5.3179 5.3180 5.3181 5.3481 5.3483 5.3483 5.3484 9.2337 9.2337 9.2353 9.2353 k = 0.5000 0.5000 0.0761 ( 4844 PWs) bands (ev): -21.6569 -21.6569 -21.6568 -21.6568 -21.6420 -21.6420 -21.6419 -21.6419 -16.0026 -16.0026 -16.0025 -16.0025 -15.9660 -15.9660 -15.9658 -15.9658 -7.3590 -7.3589 -7.3588 -7.3586 -7.3104 -7.3103 -7.3100 -7.3099 -5.7604 -5.7603 -5.7601 -5.7600 -5.3634 -5.3633 -5.3632 -5.3631 -4.2608 -4.2607 -4.2600 -4.2599 -3.8814 -3.8813 -3.8808 -3.8808 -0.8113 -0.8113 -0.8112 -0.8112 -0.7615 -0.7614 -0.7613 -0.7613 -0.2261 -0.2260 -0.2255 -0.2254 -0.1935 -0.1934 -0.1923 -0.1922 5.3181 5.3182 5.3184 5.3185 5.3473 5.3475 5.3475 5.3477 9.2461 9.2461 9.2480 9.2480 k = 0.5000 0.5000 0.0888 ( 4828 PWs) bands (ev): -21.6566 -21.6566 -21.6564 -21.6564 -21.6424 -21.6424 -21.6422 -21.6422 -16.0018 -16.0018 -16.0017 -16.0017 -15.9668 -15.9668 -15.9666 -15.9666 -7.3573 -7.3572 -7.3570 -7.3569 -7.3107 -7.3106 -7.3103 -7.3102 -5.7553 -5.7552 -5.7549 -5.7549 -5.3772 -5.3771 -5.3770 -5.3769 -4.2481 -4.2480 -4.2472 -4.2471 -3.8869 -3.8869 -3.8863 -3.8862 -0.8086 -0.8086 -0.8085 -0.8085 -0.7609 -0.7608 -0.7607 -0.7606 -0.2269 -0.2268 -0.2262 -0.2261 -0.1958 -0.1957 -0.1944 -0.1943 5.3184 5.3186 5.3188 5.3189 5.3465 5.3466 5.3467 5.3468 9.2607 9.2607 9.2629 9.2629 k = 0.5000 0.5000 0.1015 ( 4820 PWs) bands (ev): -21.6562 -21.6562 -21.6561 -21.6561 -21.6427 -21.6427 -21.6426 -21.6426 -16.0009 -16.0009 -16.0008 -16.0008 -15.9677 -15.9677 -15.9675 -15.9675 -7.3554 -7.3553 -7.3551 -7.3550 -7.3111 -7.3110 -7.3106 -7.3105 -5.7494 -5.7493 -5.7490 -5.7489 -5.3924 -5.3923 -5.3922 -5.3921 -4.2341 -4.2340 -4.2332 -4.2330 -3.8933 -3.8933 -3.8926 -3.8925 -0.8056 -0.8056 -0.8055 -0.8055 -0.7603 -0.7602 -0.7600 -0.7600 -0.2278 -0.2277 -0.2270 -0.2268 -0.1983 -0.1982 -0.1967 -0.1966 5.3189 5.3190 5.3193 5.3194 5.3455 5.3456 5.3457 5.3458 9.2773 9.2774 9.2798 9.2799 k = 0.5000 0.5000 0.1142 ( 4828 PWs) bands (ev): -21.6558 -21.6558 -21.6557 -21.6557 -21.6431 -21.6431 -21.6430 -21.6430 -15.9999 -15.9999 -15.9998 -15.9998 -15.9687 -15.9687 -15.9685 -15.9685 -7.3533 -7.3532 -7.3530 -7.3529 -7.3116 -7.3115 -7.3110 -7.3109 -5.7426 -5.7426 -5.7422 -5.7421 -5.4089 -5.4088 -5.4086 -5.4085 -4.2190 -4.2189 -4.2180 -4.2179 -3.9006 -3.9005 -3.8998 -3.8997 -0.8025 -0.8024 -0.8023 -0.8023 -0.7597 -0.7596 -0.7594 -0.7593 -0.2286 -0.2285 -0.2277 -0.2276 -0.2010 -0.2009 -0.1992 -0.1991 5.3193 5.3195 5.3198 5.3199 5.3443 5.3445 5.3446 5.3447 9.2961 9.2961 9.2989 9.2989 k = 0.5000 0.5000 0.1269 ( 4828 PWs) bands (ev): -21.6554 -21.6554 -21.6552 -21.6552 -21.6436 -21.6436 -21.6434 -21.6434 -15.9988 -15.9988 -15.9987 -15.9987 -15.9698 -15.9698 -15.9697 -15.9696 -7.3511 -7.3510 -7.3507 -7.3506 -7.3122 -7.3121 -7.3116 -7.3115 -5.7350 -5.7349 -5.7345 -5.7345 -5.4262 -5.4261 -5.4259 -5.4258 -4.2031 -4.2030 -4.2020 -4.2019 -3.9086 -3.9086 -3.9078 -3.9077 -0.7991 -0.7990 -0.7990 -0.7989 -0.7592 -0.7591 -0.7589 -0.7588 -0.2295 -0.2293 -0.2285 -0.2284 -0.2038 -0.2037 -0.2018 -0.2017 5.3199 5.3200 5.3204 5.3205 5.3432 5.3433 5.3434 5.3435 9.3168 9.3168 9.3199 9.3199 k = 0.5000 0.5000 0.1396 ( 4820 PWs) bands (ev): -21.6549 -21.6549 -21.6547 -21.6547 -21.6440 -21.6440 -21.6439 -21.6439 -15.9976 -15.9976 -15.9975 -15.9975 -15.9710 -15.9710 -15.9708 -15.9708 -7.3487 -7.3486 -7.3484 -7.3483 -7.3129 -7.3128 -7.3123 -7.3122 -5.7265 -5.7264 -5.7260 -5.7259 -5.4443 -5.4442 -5.4440 -5.4439 -4.1865 -4.1864 -4.1853 -4.1852 -3.9175 -3.9175 -3.9166 -3.9165 -0.7956 -0.7955 -0.7954 -0.7953 -0.7588 -0.7588 -0.7584 -0.7583 -0.2302 -0.2301 -0.2292 -0.2291 -0.2067 -0.2066 -0.2045 -0.2044 5.3205 5.3207 5.3211 5.3212 5.3419 5.3421 5.3422 5.3423 9.3395 9.3395 9.3428 9.3429 k = 0.5000 0.5000 0.1522 ( 4848 PWs) bands (ev): -21.6544 -21.6544 -21.6542 -21.6542 -21.6446 -21.6446 -21.6444 -21.6444 -15.9964 -15.9964 -15.9963 -15.9963 -15.9722 -15.9722 -15.9721 -15.9721 -7.3463 -7.3462 -7.3459 -7.3458 -7.3138 -7.3137 -7.3131 -7.3130 -5.7171 -5.7170 -5.7165 -5.7165 -5.4629 -5.4628 -5.4625 -5.4624 -4.1694 -4.1693 -4.1681 -4.1680 -3.9273 -3.9272 -3.9263 -3.9262 -0.7920 -0.7919 -0.7918 -0.7917 -0.7586 -0.7586 -0.7581 -0.7581 -0.2309 -0.2308 -0.2299 -0.2298 -0.2096 -0.2095 -0.2073 -0.2072 5.3212 5.3213 5.3217 5.3219 5.3406 5.3407 5.3409 5.3410 9.3639 9.3639 9.3676 9.3676 k = 0.5000 0.5000 0.1649 ( 4852 PWs) bands (ev): -21.6538 -21.6538 -21.6537 -21.6537 -21.6451 -21.6451 -21.6450 -21.6450 -15.9951 -15.9951 -15.9950 -15.9950 -15.9736 -15.9736 -15.9735 -15.9735 -7.3438 -7.3437 -7.3434 -7.3433 -7.3148 -7.3147 -7.3141 -7.3140 -5.7068 -5.7067 -5.7062 -5.7061 -5.4818 -5.4817 -5.4814 -5.4813 -4.1520 -4.1519 -4.1507 -4.1506 -3.9378 -3.9377 -3.9368 -3.9367 -0.7885 -0.7884 -0.7882 -0.7881 -0.7586 -0.7585 -0.7580 -0.7579 -0.2314 -0.2313 -0.2304 -0.2303 -0.2125 -0.2125 -0.2100 -0.2099 5.3219 5.3220 5.3225 5.3227 5.3393 5.3394 5.3395 5.3397 9.3900 9.3901 9.3940 9.3940 k = 0.5000 0.5000 0.1776 ( 4836 PWs) bands (ev): -21.6533 -21.6533 -21.6531 -21.6531 -21.6457 -21.6457 -21.6455 -21.6455 -15.9937 -15.9937 -15.9935 -15.9935 -15.9750 -15.9750 -15.9749 -15.9749 -7.3412 -7.3411 -7.3408 -7.3407 -7.3160 -7.3159 -7.3152 -7.3151 -5.6955 -5.6955 -5.6949 -5.6949 -5.5008 -5.5007 -5.5004 -5.5003 -4.1344 -4.1343 -4.1330 -4.1329 -3.9491 -3.9490 -3.9480 -3.9479 -0.7849 -0.7848 -0.7845 -0.7844 -0.7588 -0.7587 -0.7581 -0.7580 -0.2317 -0.2316 -0.2308 -0.2307 -0.2154 -0.2153 -0.2126 -0.2125 5.3228 5.3229 5.3235 5.3236 5.3380 5.3381 5.3382 5.3383 9.4178 9.4178 9.4219 9.4220 k = 0.5000 0.5000 0.1903 ( 4836 PWs) bands (ev): -21.6527 -21.6527 -21.6525 -21.6525 -21.6463 -21.6463 -21.6461 -21.6461 -15.9922 -15.9922 -15.9921 -15.9921 -15.9765 -15.9765 -15.9764 -15.9763 -7.3386 -7.3385 -7.3383 -7.3382 -7.3173 -7.3172 -7.3165 -7.3164 -5.6834 -5.6833 -5.6828 -5.6827 -5.5198 -5.5197 -5.5194 -5.5193 -4.1168 -4.1167 -4.1154 -4.1153 -3.9612 -3.9611 -3.9601 -3.9600 -0.7815 -0.7814 -0.7810 -0.7809 -0.7593 -0.7592 -0.7584 -0.7583 -0.2319 -0.2317 -0.2310 -0.2309 -0.2181 -0.2180 -0.2150 -0.2149 5.3236 5.3238 5.3244 5.3245 5.3366 5.3367 5.3368 5.3369 9.4469 9.4469 9.4513 9.4514 k = 0.5000 0.5000 0.2030 ( 4828 PWs) bands (ev): -21.6520 -21.6520 -21.6519 -21.6519 -21.6469 -21.6469 -21.6467 -21.6467 -15.9907 -15.9907 -15.9906 -15.9906 -15.9780 -15.9780 -15.9779 -15.9779 -7.3361 -7.3359 -7.3357 -7.3356 -7.3188 -7.3187 -7.3179 -7.3178 -5.6704 -5.6703 -5.6698 -5.6697 -5.5387 -5.5386 -5.5382 -5.5381 -4.0994 -4.0993 -4.0979 -4.0978 -3.9740 -3.9739 -3.9729 -3.9728 -0.7783 -0.7783 -0.7776 -0.7775 -0.7600 -0.7599 -0.7589 -0.7589 -0.2317 -0.2316 -0.2311 -0.2310 -0.2206 -0.2205 -0.2173 -0.2172 5.3246 5.3247 5.3254 5.3256 5.3353 5.3354 5.3354 5.3356 9.4774 9.4774 9.4820 9.4820 k = 0.5000 0.5000 0.2157 ( 4812 PWs) bands (ev): -21.6514 -21.6514 -21.6513 -21.6513 -21.6475 -21.6475 -21.6474 -21.6474 -15.9891 -15.9891 -15.9890 -15.9890 -15.9795 -15.9795 -15.9794 -15.9794 -7.3335 -7.3334 -7.3333 -7.3332 -7.3205 -7.3204 -7.3194 -7.3193 -5.6565 -5.6564 -5.6559 -5.6558 -5.5572 -5.5571 -5.5567 -5.5566 -4.0822 -4.0821 -4.0806 -4.0805 -3.9875 -3.9874 -3.9864 -3.9863 -0.7754 -0.7754 -0.7744 -0.7743 -0.7611 -0.7610 -0.7597 -0.7596 -0.2314 -0.2312 -0.2310 -0.2309 -0.2230 -0.2229 -0.2192 -0.2191 5.3255 5.3257 5.3265 5.3267 5.3341 5.3341 5.3342 5.3342 9.5089 9.5089 9.5138 9.5138 k = 0.5000 0.5000 0.2284 ( 4808 PWs) bands (ev): -21.6508 -21.6508 -21.6506 -21.6506 -21.6482 -21.6481 -21.6480 -21.6480 -15.9876 -15.9875 -15.9874 -15.9874 -15.9811 -15.9811 -15.9810 -15.9810 -7.3311 -7.3310 -7.3310 -7.3309 -7.3223 -7.3222 -7.3211 -7.3210 -5.6418 -5.6417 -5.6411 -5.6411 -5.5753 -5.5752 -5.5748 -5.5747 -4.0653 -4.0652 -4.0636 -4.0635 -4.0016 -4.0015 -4.0007 -4.0006 -0.7730 -0.7729 -0.7714 -0.7713 -0.7625 -0.7624 -0.7606 -0.7605 -0.2308 -0.2308 -0.2307 -0.2306 -0.2251 -0.2250 -0.2207 -0.2207 5.3265 5.3266 5.3277 5.3278 5.3327 5.3329 5.3330 5.3331 9.5413 9.5413 9.5464 9.5464 k = 0.5000 0.5000 0.2411 ( 4800 PWs) bands (ev): -21.6501 -21.6501 -21.6500 -21.6500 -21.6488 -21.6488 -21.6487 -21.6487 -15.9859 -15.9859 -15.9858 -15.9858 -15.9827 -15.9827 -15.9826 -15.9826 -7.3290 -7.3289 -7.3287 -7.3286 -7.3243 -7.3242 -7.3226 -7.3226 -5.6262 -5.6262 -5.6256 -5.6255 -5.5928 -5.5928 -5.5924 -5.5923 -4.0491 -4.0491 -4.0471 -4.0470 -4.0162 -4.0161 -4.0155 -4.0154 -0.7712 -0.7711 -0.7687 -0.7686 -0.7642 -0.7641 -0.7614 -0.7613 -0.2306 -0.2306 -0.2297 -0.2296 -0.2269 -0.2268 -0.2218 -0.2217 5.3273 5.3273 5.3289 5.3290 5.3314 5.3316 5.3321 5.3322 9.5744 9.5744 9.5797 9.5797 k = 0.5000 0.5000 0.2537 ( 4792 PWs) bands (ev): -21.6495 -21.6495 -21.6494 -21.6494 -21.6493 -21.6493 -21.6493 -21.6493 -15.9844 -15.9844 -15.9843 -15.9843 -15.9842 -15.9842 -15.9841 -15.9841 -7.3280 -7.3280 -7.3264 -7.3264 -7.3263 -7.3263 -7.3234 -7.3234 -5.6114 -5.6114 -5.6093 -5.6093 -5.6092 -5.6092 -5.6083 -5.6083 -4.0371 -4.0371 -4.0310 -4.0310 -4.0309 -4.0309 -4.0276 -4.0276 -0.7705 -0.7705 -0.7663 -0.7663 -0.7662 -0.7662 -0.7617 -0.7617 -0.2305 -0.2305 -0.2285 -0.2285 -0.2284 -0.2284 -0.2221 -0.2221 5.3276 5.3276 5.3301 5.3301 5.3303 5.3303 5.3317 5.3317 9.6054 9.6057 9.6107 9.6125 Writing output data file H2O2.save init_run : 0.45s CPU 0.29s WALL ( 1 calls) electrons : 386.72s CPU 282.91s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.15s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 386.71s CPU 282.90s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.09s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.56s CPU 0.62s WALL ( 335 calls) cegterg : 346.24s CPU 258.47s WALL ( 464 calls) Called by sum_band: Called by *egterg: h_psi : 196.52s CPU 124.77s WALL ( 7536 calls) s_psi : 12.40s CPU 8.65s WALL ( 7536 calls) g_psi : 0.50s CPU 0.38s WALL ( 6737 calls) cdiaghg : 126.19s CPU 109.50s WALL ( 7072 calls) cegterg:over : 18.37s CPU 13.68s WALL ( 6737 calls) cegterg:upda : 14.84s CPU 11.62s WALL ( 6737 calls) cegterg:last : 5.86s CPU 4.88s WALL ( 1134 calls) cdiaghg:chol : 6.88s CPU 6.32s WALL ( 7072 calls) cdiaghg:inve : 5.32s CPU 4.57s WALL ( 7072 calls) cdiaghg:para : 8.74s CPU 7.80s WALL ( 14144 calls) Called by h_psi: h_psi:vloc : 174.70s CPU 109.57s WALL ( 7536 calls) h_psi:vnl : 21.27s CPU 14.78s WALL ( 7536 calls) add_vuspsi : 9.83s CPU 6.51s WALL ( 7536 calls) General routines calbec : 11.39s CPU 8.25s WALL ( 7536 calls) fft : 0.13s CPU 0.07s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 165.26s CPU 102.72s WALL ( 1061708 calls) interpolate : 0.06s CPU 0.03s WALL ( 4 calls) davcio : 0.40s CPU 1.38s WALL ( 670 calls) Parallel routines fft_scatter : 67.33s CPU 46.29s WALL ( 1061731 calls) PWSCF : 6m49.28s CPU 5m21.55s WALL This run was terminated on: 4: 7: 2 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=