Program PWSCF v.5.1.1 starts on 23Jul2015 at 12:24:42 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 32 processors R & G space division: proc/nbgrp/npool/nimage = 32 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./MgCl2.save/ file Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 55 34 10 1855 884 144 Max 56 35 11 1860 895 149 Sum 1789 1101 333 59485 28459 4633 bravais-lattice index = 14 lattice parameter (alat) = 7.6723 a.u. unit-cell volume = 465.8598 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 24.00 number of Kohn-Sham states= 32 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 386.0000 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)= 1.031527 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 1.031527 ) 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 0.969436 ) PseudoPot. # 1 for Cl read from file: /home/autes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Mg read from file: /home/autes/Pseudo/Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 99618f2d1dea131ec68d28ce241ef835 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1129 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Cl 7.00 35.45300 Cl( 1.00) Mg 10.00 24.30500 Mg( 1.00) 8 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [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 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 4) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 5) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 5) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 6) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 6) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 7 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 7) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 8) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group D_2d (-42m) there are 7 classes and 2 irreducible representations the character table: E -E C2 2S4 -2S4 2C2' 2s_d -C2 -2C2' -2s_d G_6 2.00 -2.00 0.00 1.41 -1.41 0.00 0.00 G_7 2.00 -2.00 0.00 -1.41 1.41 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 2C2' -2C2' 3 -3 4 -4 2s_d -2s_d 5 -5 6 -6 2S4 7 8 -E -1 -2S4 -7 -8 Cartesian axes number of k points= 389 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025707 k( 2) = ( 0.0000000 0.0128205 -0.0000000), wk = 0.0025707 k( 3) = ( 0.0000000 0.0256410 -0.0000000), wk = 0.0025707 k( 4) = ( 0.0000000 0.0384615 -0.0000000), wk = 0.0025707 k( 5) = ( 0.0000000 0.0512821 -0.0000000), wk = 0.0025707 k( 6) = ( 0.0000000 0.0641026 -0.0000000), wk = 0.0025707 k( 7) = ( 0.0000000 0.0769231 -0.0000000), wk = 0.0025707 k( 8) = ( 0.0000000 0.0897436 -0.0000000), wk = 0.0025707 k( 9) = ( 0.0000000 0.1025641 -0.0000000), wk = 0.0025707 k( 10) = ( 0.0000000 0.1153846 -0.0000000), wk = 0.0025707 k( 11) = ( 0.0000000 0.1282051 -0.0000000), wk = 0.0025707 k( 12) = ( 0.0000000 0.1410256 -0.0000000), wk = 0.0025707 k( 13) = ( 0.0000000 0.1538461 -0.0000000), wk = 0.0025707 k( 14) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0025707 k( 15) = ( 0.0000000 0.1794872 -0.0000000), wk = 0.0025707 k( 16) = ( 0.0000000 0.1923077 -0.0000000), wk = 0.0025707 k( 17) = ( 0.0000000 0.2051282 -0.0000000), wk = 0.0025707 k( 18) = ( 0.0000000 0.2179487 -0.0000000), wk = 0.0025707 k( 19) = ( 0.0000000 0.2307692 -0.0000000), wk = 0.0025707 k( 20) = ( 0.0000000 0.2435897 -0.0000000), wk = 0.0025707 k( 21) = ( 0.0000000 0.2564103 -0.0000000), wk = 0.0025707 k( 22) = ( 0.0000000 0.2692308 -0.0000000), wk = 0.0025707 k( 23) = ( 0.0000000 0.2820513 -0.0000000), wk = 0.0025707 k( 24) = ( 0.0000000 0.2948718 -0.0000000), wk = 0.0025707 k( 25) = ( 0.0000000 0.3076923 -0.0000000), wk = 0.0025707 k( 26) = ( 0.0000000 0.3205128 -0.0000000), wk = 0.0025707 k( 27) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0025707 k( 28) = ( 0.0000000 0.3461538 -0.0000000), wk = 0.0025707 k( 29) = ( 0.0000000 0.3589744 -0.0000000), wk = 0.0025707 k( 30) = ( 0.0000000 0.3717949 -0.0000000), wk = 0.0025707 k( 31) = ( 0.0000000 0.3846154 -0.0000000), wk = 0.0025707 k( 32) = ( 0.0000000 0.3974359 -0.0000000), wk = 0.0025707 k( 33) = ( 0.0000000 0.4102564 -0.0000000), wk = 0.0025707 k( 34) = ( 0.0000000 0.4230769 -0.0000000), wk = 0.0025707 k( 35) = ( 0.0000000 0.4358974 -0.0000000), wk = 0.0025707 k( 36) = ( 0.0000000 0.4487179 -0.0000000), wk = 0.0025707 k( 37) = ( 0.0000000 0.4615385 -0.0000000), wk = 0.0025707 k( 38) = ( 0.0000000 0.4743590 -0.0000000), wk = 0.0025707 k( 39) = ( 0.0000000 0.4871795 -0.0000000), wk = 0.0025707 k( 40) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025707 k( 41) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025707 k( 42) = ( 0.0128205 0.5000000 -0.0000000), wk = 0.0025707 k( 43) = ( 0.0256410 0.5000000 -0.0000000), wk = 0.0025707 k( 44) = ( 0.0384615 0.5000000 -0.0000000), wk = 0.0025707 k( 45) = ( 0.0512821 0.5000000 -0.0000000), wk = 0.0025707 k( 46) = ( 0.0641026 0.5000000 -0.0000000), wk = 0.0025707 k( 47) = ( 0.0769231 0.5000000 -0.0000000), wk = 0.0025707 k( 48) = ( 0.0897436 0.5000000 -0.0000000), wk = 0.0025707 k( 49) = ( 0.1025641 0.5000000 -0.0000000), wk = 0.0025707 k( 50) = ( 0.1153846 0.5000000 -0.0000000), wk = 0.0025707 k( 51) = ( 0.1282051 0.5000000 -0.0000000), wk = 0.0025707 k( 52) = ( 0.1410256 0.5000000 -0.0000000), wk = 0.0025707 k( 53) = ( 0.1538461 0.5000000 -0.0000000), wk = 0.0025707 k( 54) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0025707 k( 55) = ( 0.1794872 0.5000000 -0.0000000), wk = 0.0025707 k( 56) = ( 0.1923077 0.5000000 -0.0000000), wk = 0.0025707 k( 57) = ( 0.2051282 0.5000000 -0.0000000), wk = 0.0025707 k( 58) = ( 0.2179487 0.5000000 -0.0000000), wk = 0.0025707 k( 59) = ( 0.2307692 0.5000000 -0.0000000), wk = 0.0025707 k( 60) = ( 0.2435897 0.5000000 -0.0000000), wk = 0.0025707 k( 61) = ( 0.2564103 0.5000000 -0.0000000), wk = 0.0025707 k( 62) = ( 0.2692308 0.5000000 -0.0000000), wk = 0.0025707 k( 63) = ( 0.2820513 0.5000000 -0.0000000), wk = 0.0025707 k( 64) = ( 0.2948718 0.5000000 -0.0000000), wk = 0.0025707 k( 65) = ( 0.3076923 0.5000000 -0.0000000), wk = 0.0025707 k( 66) = ( 0.3205128 0.5000000 -0.0000000), wk = 0.0025707 k( 67) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0025707 k( 68) = ( 0.3461538 0.5000000 -0.0000000), wk = 0.0025707 k( 69) = ( 0.3589744 0.5000000 -0.0000000), wk = 0.0025707 k( 70) = ( 0.3717949 0.5000000 -0.0000000), wk = 0.0025707 k( 71) = ( 0.3846154 0.5000000 -0.0000000), wk = 0.0025707 k( 72) = ( 0.3974359 0.5000000 -0.0000000), wk = 0.0025707 k( 73) = ( 0.4102564 0.5000000 -0.0000000), wk = 0.0025707 k( 74) = ( 0.4230769 0.5000000 -0.0000000), wk = 0.0025707 k( 75) = ( 0.4358974 0.5000000 -0.0000000), wk = 0.0025707 k( 76) = ( 0.4487179 0.5000000 -0.0000000), wk = 0.0025707 k( 77) = ( 0.4615385 0.5000000 -0.0000000), wk = 0.0025707 k( 78) = ( 0.4743590 0.5000000 -0.0000000), wk = 0.0025707 k( 79) = ( 0.4871795 0.5000000 -0.0000000), wk = 0.0025707 k( 80) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025707 k( 81) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025707 k( 82) = ( 0.4909091 0.4909091 -0.0000000), wk = 0.0025707 k( 83) = ( 0.4818182 0.4818182 -0.0000000), wk = 0.0025707 k( 84) = ( 0.4727273 0.4727273 -0.0000000), wk = 0.0025707 k( 85) = ( 0.4636364 0.4636364 -0.0000000), wk = 0.0025707 k( 86) = ( 0.4545455 0.4545454 -0.0000000), wk = 0.0025707 k( 87) = ( 0.4454546 0.4454545 -0.0000000), wk = 0.0025707 k( 88) = ( 0.4363636 0.4363636 -0.0000000), wk = 0.0025707 k( 89) = ( 0.4272727 0.4272727 -0.0000000), wk = 0.0025707 k( 90) = ( 0.4181818 0.4181818 -0.0000000), wk = 0.0025707 k( 91) = ( 0.4090909 0.4090909 -0.0000000), wk = 0.0025707 k( 92) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0025707 k( 93) = ( 0.3909091 0.3909091 -0.0000000), wk = 0.0025707 k( 94) = ( 0.3818182 0.3818182 -0.0000000), wk = 0.0025707 k( 95) = ( 0.3727273 0.3727273 -0.0000000), wk = 0.0025707 k( 96) = ( 0.3636364 0.3636364 -0.0000000), wk = 0.0025707 k( 97) = ( 0.3545454 0.3545454 -0.0000000), wk = 0.0025707 k( 98) = ( 0.3454546 0.3454545 -0.0000000), wk = 0.0025707 k( 99) = ( 0.3363636 0.3363636 -0.0000000), wk = 0.0025707 k( 100) = ( 0.3272727 0.3272727 -0.0000000), wk = 0.0025707 k( 101) = ( 0.3181818 0.3181818 -0.0000000), wk = 0.0025707 k( 102) = ( 0.3090909 0.3090909 -0.0000000), wk = 0.0025707 k( 103) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0025707 k( 104) = ( 0.2909091 0.2909091 -0.0000000), wk = 0.0025707 k( 105) = ( 0.2818182 0.2818182 -0.0000000), wk = 0.0025707 k( 106) = ( 0.2727273 0.2727273 -0.0000000), wk = 0.0025707 k( 107) = ( 0.2636364 0.2636364 -0.0000000), wk = 0.0025707 k( 108) = ( 0.2545455 0.2545455 -0.0000000), wk = 0.0025707 k( 109) = ( 0.2454545 0.2454545 -0.0000000), wk = 0.0025707 k( 110) = ( 0.2363636 0.2363636 -0.0000000), wk = 0.0025707 k( 111) = ( 0.2272727 0.2272727 -0.0000000), wk = 0.0025707 k( 112) = ( 0.2181818 0.2181818 -0.0000000), wk = 0.0025707 k( 113) = ( 0.2090909 0.2090909 -0.0000000), wk = 0.0025707 k( 114) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0025707 k( 115) = ( 0.1909091 0.1909091 -0.0000000), wk = 0.0025707 k( 116) = ( 0.1818182 0.1818182 -0.0000000), wk = 0.0025707 k( 117) = ( 0.1727273 0.1727273 -0.0000000), wk = 0.0025707 k( 118) = ( 0.1636364 0.1636364 -0.0000000), wk = 0.0025707 k( 119) = ( 0.1545455 0.1545454 -0.0000000), wk = 0.0025707 k( 120) = ( 0.1454545 0.1454545 -0.0000000), wk = 0.0025707 k( 121) = ( 0.1363636 0.1363636 -0.0000000), wk = 0.0025707 k( 122) = ( 0.1272727 0.1272727 -0.0000000), wk = 0.0025707 k( 123) = ( 0.1181818 0.1181818 -0.0000000), wk = 0.0025707 k( 124) = ( 0.1090909 0.1090909 -0.0000000), wk = 0.0025707 k( 125) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0025707 k( 126) = ( 0.0909091 0.0909091 -0.0000000), wk = 0.0025707 k( 127) = ( 0.0818182 0.0818182 -0.0000000), wk = 0.0025707 k( 128) = ( 0.0727273 0.0727273 -0.0000000), wk = 0.0025707 k( 129) = ( 0.0636364 0.0636364 -0.0000000), wk = 0.0025707 k( 130) = ( 0.0545455 0.0545454 -0.0000000), wk = 0.0025707 k( 131) = ( 0.0454546 0.0454545 -0.0000000), wk = 0.0025707 k( 132) = ( 0.0363636 0.0363636 -0.0000000), wk = 0.0025707 k( 133) = ( 0.0272727 0.0272727 -0.0000000), wk = 0.0025707 k( 134) = ( 0.0181818 0.0181818 -0.0000000), wk = 0.0025707 k( 135) = ( 0.0090909 0.0090909 -0.0000000), wk = 0.0025707 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025707 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025707 k( 138) = ( 0.0000000 0.0000000 0.0127557), wk = 0.0025707 k( 139) = ( 0.0000000 0.0000000 0.0255115), wk = 0.0025707 k( 140) = ( 0.0000000 0.0000000 0.0382672), wk = 0.0025707 k( 141) = ( 0.0000000 0.0000000 0.0510230), wk = 0.0025707 k( 142) = ( 0.0000000 0.0000000 0.0637787), wk = 0.0025707 k( 143) = ( 0.0000000 0.0000000 0.0765345), wk = 0.0025707 k( 144) = ( 0.0000000 0.0000000 0.0892902), wk = 0.0025707 k( 145) = ( 0.0000000 0.0000000 0.1020459), wk = 0.0025707 k( 146) = ( 0.0000000 0.0000000 0.1148017), wk = 0.0025707 k( 147) = ( 0.0000000 0.0000000 0.1275574), wk = 0.0025707 k( 148) = ( 0.0000000 0.0000000 0.1403132), wk = 0.0025707 k( 149) = ( 0.0000000 0.0000000 0.1530689), wk = 0.0025707 k( 150) = ( 0.0000000 0.0000000 0.1658247), wk = 0.0025707 k( 151) = ( 0.0000000 0.0000000 0.1785804), wk = 0.0025707 k( 152) = ( 0.0000000 0.0000000 0.1913361), wk = 0.0025707 k( 153) = ( 0.0000000 0.0000000 0.2040919), wk = 0.0025707 k( 154) = ( 0.0000000 0.0000000 0.2168476), wk = 0.0025707 k( 155) = ( 0.0000000 0.0000000 0.2296034), wk = 0.0025707 k( 156) = ( 0.0000000 0.0000000 0.2423591), wk = 0.0025707 k( 157) = ( 0.0000000 0.0000000 0.2551149), wk = 0.0025707 k( 158) = ( 0.0000000 0.0000000 0.2678706), wk = 0.0025707 k( 159) = ( 0.0000000 0.0000000 0.2806263), wk = 0.0025707 k( 160) = ( 0.0000000 0.0000000 0.2933821), wk = 0.0025707 k( 161) = ( 0.0000000 0.0000000 0.3061378), wk = 0.0025707 k( 162) = ( 0.0000000 0.0000000 0.3188936), wk = 0.0025707 k( 163) = ( 0.0000000 0.0000000 0.3316493), wk = 0.0025707 k( 164) = ( 0.0000000 0.0000000 0.3444051), wk = 0.0025707 k( 165) = ( 0.0000000 0.0000000 0.3571608), wk = 0.0025707 k( 166) = ( 0.0000000 0.0000000 0.3699166), wk = 0.0025707 k( 167) = ( 0.0000000 0.0000000 0.3826723), wk = 0.0025707 k( 168) = ( 0.0000000 0.0000000 0.3954280), wk = 0.0025707 k( 169) = ( 0.0000000 0.0000000 0.4081838), wk = 0.0025707 k( 170) = ( 0.0000000 0.0000000 0.4209395), wk = 0.0025707 k( 171) = ( 0.0000000 0.0000000 0.4336953), wk = 0.0025707 k( 172) = ( 0.0000000 0.0000000 0.4464510), wk = 0.0025707 k( 173) = ( 0.0000000 0.0000000 0.4592068), wk = 0.0025707 k( 174) = ( 0.0000000 0.0000000 0.4719625), wk = 0.0025707 k( 175) = ( 0.0000000 0.0000000 0.4847182), wk = 0.0025707 k( 176) = ( 0.0000000 0.0000000 0.4847182), wk = 0.0025707 k( 177) = ( 0.0000000 0.0128205 0.4847182), wk = 0.0025707 k( 178) = ( 0.0000000 0.0256410 0.4847182), wk = 0.0025707 k( 179) = ( 0.0000000 0.0384615 0.4847182), wk = 0.0025707 k( 180) = ( 0.0000000 0.0512821 0.4847182), wk = 0.0025707 k( 181) = ( 0.0000000 0.0641026 0.4847182), wk = 0.0025707 k( 182) = ( 0.0000000 0.0769231 0.4847182), wk = 0.0025707 k( 183) = ( 0.0000000 0.0897436 0.4847182), wk = 0.0025707 k( 184) = ( 0.0000000 0.1025641 0.4847182), wk = 0.0025707 k( 185) = ( 0.0000000 0.1153846 0.4847182), wk = 0.0025707 k( 186) = ( 0.0000000 0.1282051 0.4847182), wk = 0.0025707 k( 187) = ( 0.0000000 0.1410256 0.4847182), wk = 0.0025707 k( 188) = ( 0.0000000 0.1538461 0.4847182), wk = 0.0025707 k( 189) = ( 0.0000000 0.1666667 0.4847182), wk = 0.0025707 k( 190) = ( 0.0000000 0.1794872 0.4847182), wk = 0.0025707 k( 191) = ( 0.0000000 0.1923077 0.4847182), wk = 0.0025707 k( 192) = ( 0.0000000 0.2051282 0.4847182), wk = 0.0025707 k( 193) = ( 0.0000000 0.2179487 0.4847182), wk = 0.0025707 k( 194) = ( 0.0000000 0.2307692 0.4847182), wk = 0.0025707 k( 195) = ( 0.0000000 0.2435897 0.4847182), wk = 0.0025707 k( 196) = ( 0.0000000 0.2564103 0.4847182), wk = 0.0025707 k( 197) = ( 0.0000000 0.2692308 0.4847182), wk = 0.0025707 k( 198) = ( 0.0000000 0.2820513 0.4847182), wk = 0.0025707 k( 199) = ( 0.0000000 0.2948718 0.4847182), wk = 0.0025707 k( 200) = ( 0.0000000 0.3076923 0.4847182), wk = 0.0025707 k( 201) = ( 0.0000000 0.3205128 0.4847182), wk = 0.0025707 k( 202) = ( 0.0000000 0.3333333 0.4847182), wk = 0.0025707 k( 203) = ( 0.0000000 0.3461538 0.4847182), wk = 0.0025707 k( 204) = ( 0.0000000 0.3589744 0.4847182), wk = 0.0025707 k( 205) = ( 0.0000000 0.3717949 0.4847182), wk = 0.0025707 k( 206) = ( 0.0000000 0.3846154 0.4847182), wk = 0.0025707 k( 207) = ( 0.0000000 0.3974359 0.4847182), wk = 0.0025707 k( 208) = ( 0.0000000 0.4102564 0.4847182), wk = 0.0025707 k( 209) = ( 0.0000000 0.4230769 0.4847182), wk = 0.0025707 k( 210) = ( 0.0000000 0.4358974 0.4847182), wk = 0.0025707 k( 211) = ( 0.0000000 0.4487179 0.4847182), wk = 0.0025707 k( 212) = ( 0.0000000 0.4615385 0.4847182), wk = 0.0025707 k( 213) = ( 0.0000000 0.4743590 0.4847182), wk = 0.0025707 k( 214) = ( 0.0000000 0.4871795 0.4847182), wk = 0.0025707 k( 215) = ( 0.0000000 0.5000000 0.4847182), wk = 0.0025707 k( 216) = ( 0.0000000 0.5000000 0.4847182), wk = 0.0025707 k( 217) = ( 0.0128205 0.5000000 0.4847182), wk = 0.0025707 k( 218) = ( 0.0256410 0.5000000 0.4847182), wk = 0.0025707 k( 219) = ( 0.0384615 0.5000000 0.4847182), wk = 0.0025707 k( 220) = ( 0.0512821 0.5000000 0.4847182), wk = 0.0025707 k( 221) = ( 0.0641026 0.5000000 0.4847182), wk = 0.0025707 k( 222) = ( 0.0769231 0.5000000 0.4847182), wk = 0.0025707 k( 223) = ( 0.0897436 0.5000000 0.4847182), wk = 0.0025707 k( 224) = ( 0.1025641 0.5000000 0.4847182), wk = 0.0025707 k( 225) = ( 0.1153846 0.5000000 0.4847182), wk = 0.0025707 k( 226) = ( 0.1282051 0.5000000 0.4847182), wk = 0.0025707 k( 227) = ( 0.1410256 0.5000000 0.4847182), wk = 0.0025707 k( 228) = ( 0.1538461 0.5000000 0.4847182), wk = 0.0025707 k( 229) = ( 0.1666667 0.5000000 0.4847182), wk = 0.0025707 k( 230) = ( 0.1794872 0.5000000 0.4847182), wk = 0.0025707 k( 231) = ( 0.1923077 0.5000000 0.4847182), wk = 0.0025707 k( 232) = ( 0.2051282 0.5000000 0.4847182), wk = 0.0025707 k( 233) = ( 0.2179487 0.5000000 0.4847182), wk = 0.0025707 k( 234) = ( 0.2307692 0.5000000 0.4847182), wk = 0.0025707 k( 235) = ( 0.2435897 0.5000000 0.4847182), wk = 0.0025707 k( 236) = ( 0.2564103 0.5000000 0.4847182), wk = 0.0025707 k( 237) = ( 0.2692308 0.5000000 0.4847182), wk = 0.0025707 k( 238) = ( 0.2820513 0.5000000 0.4847182), wk = 0.0025707 k( 239) = ( 0.2948718 0.5000000 0.4847182), wk = 0.0025707 k( 240) = ( 0.3076923 0.5000000 0.4847182), wk = 0.0025707 k( 241) = ( 0.3205128 0.5000000 0.4847182), wk = 0.0025707 k( 242) = ( 0.3333333 0.5000000 0.4847182), wk = 0.0025707 k( 243) = ( 0.3461538 0.5000000 0.4847182), wk = 0.0025707 k( 244) = ( 0.3589744 0.5000000 0.4847182), wk = 0.0025707 k( 245) = ( 0.3717949 0.5000000 0.4847182), wk = 0.0025707 k( 246) = ( 0.3846154 0.5000000 0.4847182), wk = 0.0025707 k( 247) = ( 0.3974359 0.5000000 0.4847182), wk = 0.0025707 k( 248) = ( 0.4102564 0.5000000 0.4847182), wk = 0.0025707 k( 249) = ( 0.4230769 0.5000000 0.4847182), wk = 0.0025707 k( 250) = ( 0.4358974 0.5000000 0.4847182), wk = 0.0025707 k( 251) = ( 0.4487179 0.5000000 0.4847182), wk = 0.0025707 k( 252) = ( 0.4615385 0.5000000 0.4847182), wk = 0.0025707 k( 253) = ( 0.4743590 0.5000000 0.4847182), wk = 0.0025707 k( 254) = ( 0.4871795 0.5000000 0.4847182), wk = 0.0025707 k( 255) = ( 0.5000000 0.5000000 0.4847182), wk = 0.0025707 k( 256) = ( 0.5000000 0.5000000 0.4847182), wk = 0.0025707 k( 257) = ( 0.4909091 0.4909091 0.4847182), wk = 0.0025707 k( 258) = ( 0.4818182 0.4818182 0.4847182), wk = 0.0025707 k( 259) = ( 0.4727273 0.4727273 0.4847182), wk = 0.0025707 k( 260) = ( 0.4636364 0.4636364 0.4847182), wk = 0.0025707 k( 261) = ( 0.4545455 0.4545454 0.4847182), wk = 0.0025707 k( 262) = ( 0.4454546 0.4454545 0.4847182), wk = 0.0025707 k( 263) = ( 0.4363636 0.4363636 0.4847182), wk = 0.0025707 k( 264) = ( 0.4272727 0.4272727 0.4847182), wk = 0.0025707 k( 265) = ( 0.4181818 0.4181818 0.4847182), wk = 0.0025707 k( 266) = ( 0.4090909 0.4090909 0.4847182), wk = 0.0025707 k( 267) = ( 0.4000000 0.4000000 0.4847182), wk = 0.0025707 k( 268) = ( 0.3909091 0.3909091 0.4847182), wk = 0.0025707 k( 269) = ( 0.3818182 0.3818182 0.4847182), wk = 0.0025707 k( 270) = ( 0.3727273 0.3727273 0.4847182), wk = 0.0025707 k( 271) = ( 0.3636364 0.3636364 0.4847182), wk = 0.0025707 k( 272) = ( 0.3545454 0.3545454 0.4847182), wk = 0.0025707 k( 273) = ( 0.3454546 0.3454545 0.4847182), wk = 0.0025707 k( 274) = ( 0.3363636 0.3363636 0.4847182), wk = 0.0025707 k( 275) = ( 0.3272727 0.3272727 0.4847182), wk = 0.0025707 k( 276) = ( 0.3181818 0.3181818 0.4847182), wk = 0.0025707 k( 277) = ( 0.3090909 0.3090909 0.4847182), wk = 0.0025707 k( 278) = ( 0.3000000 0.3000000 0.4847182), wk = 0.0025707 k( 279) = ( 0.2909091 0.2909091 0.4847182), wk = 0.0025707 k( 280) = ( 0.2818182 0.2818182 0.4847182), wk = 0.0025707 k( 281) = ( 0.2727273 0.2727273 0.4847182), wk = 0.0025707 k( 282) = ( 0.2636364 0.2636364 0.4847182), wk = 0.0025707 k( 283) = ( 0.2545455 0.2545455 0.4847182), wk = 0.0025707 k( 284) = ( 0.2454545 0.2454545 0.4847182), wk = 0.0025707 k( 285) = ( 0.2363636 0.2363636 0.4847182), wk = 0.0025707 k( 286) = ( 0.2272727 0.2272727 0.4847182), wk = 0.0025707 k( 287) = ( 0.2181818 0.2181818 0.4847182), wk = 0.0025707 k( 288) = ( 0.2090909 0.2090909 0.4847182), wk = 0.0025707 k( 289) = ( 0.2000000 0.2000000 0.4847182), wk = 0.0025707 k( 290) = ( 0.1909091 0.1909091 0.4847182), wk = 0.0025707 k( 291) = ( 0.1818182 0.1818182 0.4847182), wk = 0.0025707 k( 292) = ( 0.1727273 0.1727273 0.4847182), wk = 0.0025707 k( 293) = ( 0.1636364 0.1636364 0.4847182), wk = 0.0025707 k( 294) = ( 0.1545455 0.1545454 0.4847182), wk = 0.0025707 k( 295) = ( 0.1454545 0.1454545 0.4847182), wk = 0.0025707 k( 296) = ( 0.1363636 0.1363636 0.4847182), wk = 0.0025707 k( 297) = ( 0.1272727 0.1272727 0.4847182), wk = 0.0025707 k( 298) = ( 0.1181818 0.1181818 0.4847182), wk = 0.0025707 k( 299) = ( 0.1090909 0.1090909 0.4847182), wk = 0.0025707 k( 300) = ( 0.1000000 0.1000000 0.4847182), wk = 0.0025707 k( 301) = ( 0.0909091 0.0909091 0.4847182), wk = 0.0025707 k( 302) = ( 0.0818182 0.0818182 0.4847182), wk = 0.0025707 k( 303) = ( 0.0727273 0.0727273 0.4847182), wk = 0.0025707 k( 304) = ( 0.0636364 0.0636364 0.4847182), wk = 0.0025707 k( 305) = ( 0.0545455 0.0545454 0.4847182), wk = 0.0025707 k( 306) = ( 0.0454546 0.0454545 0.4847182), wk = 0.0025707 k( 307) = ( 0.0363636 0.0363636 0.4847182), wk = 0.0025707 k( 308) = ( 0.0272727 0.0272727 0.4847182), wk = 0.0025707 k( 309) = ( 0.0181818 0.0181818 0.4847182), wk = 0.0025707 k( 310) = ( 0.0090909 0.0090909 0.4847182), wk = 0.0025707 k( 311) = ( 0.0000000 0.0000000 0.4847182), wk = 0.0025707 k( 312) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025707 k( 313) = ( 0.0000000 0.5000000 0.0127557), wk = 0.0025707 k( 314) = ( 0.0000000 0.5000000 0.0255115), wk = 0.0025707 k( 315) = ( 0.0000000 0.5000000 0.0382672), wk = 0.0025707 k( 316) = ( 0.0000000 0.5000000 0.0510230), wk = 0.0025707 k( 317) = ( 0.0000000 0.5000000 0.0637787), wk = 0.0025707 k( 318) = ( 0.0000000 0.5000000 0.0765345), wk = 0.0025707 k( 319) = ( 0.0000000 0.5000000 0.0892902), wk = 0.0025707 k( 320) = ( 0.0000000 0.5000000 0.1020459), wk = 0.0025707 k( 321) = ( 0.0000000 0.5000000 0.1148017), wk = 0.0025707 k( 322) = ( 0.0000000 0.5000000 0.1275574), wk = 0.0025707 k( 323) = ( 0.0000000 0.5000000 0.1403132), wk = 0.0025707 k( 324) = ( 0.0000000 0.5000000 0.1530689), wk = 0.0025707 k( 325) = ( 0.0000000 0.5000000 0.1658247), wk = 0.0025707 k( 326) = ( 0.0000000 0.5000000 0.1785804), wk = 0.0025707 k( 327) = ( 0.0000000 0.5000000 0.1913361), wk = 0.0025707 k( 328) = ( 0.0000000 0.5000000 0.2040919), wk = 0.0025707 k( 329) = ( 0.0000000 0.5000000 0.2168476), wk = 0.0025707 k( 330) = ( 0.0000000 0.5000000 0.2296034), wk = 0.0025707 k( 331) = ( 0.0000000 0.5000000 0.2423591), wk = 0.0025707 k( 332) = ( 0.0000000 0.5000000 0.2551149), wk = 0.0025707 k( 333) = ( 0.0000000 0.5000000 0.2678706), wk = 0.0025707 k( 334) = ( 0.0000000 0.5000000 0.2806263), wk = 0.0025707 k( 335) = ( 0.0000000 0.5000000 0.2933821), wk = 0.0025707 k( 336) = ( 0.0000000 0.5000000 0.3061378), wk = 0.0025707 k( 337) = ( 0.0000000 0.5000000 0.3188936), wk = 0.0025707 k( 338) = ( 0.0000000 0.5000000 0.3316493), wk = 0.0025707 k( 339) = ( 0.0000000 0.5000000 0.3444051), wk = 0.0025707 k( 340) = ( 0.0000000 0.5000000 0.3571608), wk = 0.0025707 k( 341) = ( 0.0000000 0.5000000 0.3699166), wk = 0.0025707 k( 342) = ( 0.0000000 0.5000000 0.3826723), wk = 0.0025707 k( 343) = ( 0.0000000 0.5000000 0.3954280), wk = 0.0025707 k( 344) = ( 0.0000000 0.5000000 0.4081838), wk = 0.0025707 k( 345) = ( 0.0000000 0.5000000 0.4209395), wk = 0.0025707 k( 346) = ( 0.0000000 0.5000000 0.4336953), wk = 0.0025707 k( 347) = ( 0.0000000 0.5000000 0.4464510), wk = 0.0025707 k( 348) = ( 0.0000000 0.5000000 0.4592068), wk = 0.0025707 k( 349) = ( 0.0000000 0.5000000 0.4719625), wk = 0.0025707 k( 350) = ( 0.0000000 0.5000000 0.4847182), wk = 0.0025707 k( 351) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025707 k( 352) = ( 0.5000000 0.5000000 0.0127557), wk = 0.0025707 k( 353) = ( 0.5000000 0.5000000 0.0255115), wk = 0.0025707 k( 354) = ( 0.5000000 0.5000000 0.0382672), wk = 0.0025707 k( 355) = ( 0.5000000 0.5000000 0.0510230), wk = 0.0025707 k( 356) = ( 0.5000000 0.5000000 0.0637787), wk = 0.0025707 k( 357) = ( 0.5000000 0.5000000 0.0765345), wk = 0.0025707 k( 358) = ( 0.5000000 0.5000000 0.0892902), wk = 0.0025707 k( 359) = ( 0.5000000 0.5000000 0.1020459), wk = 0.0025707 k( 360) = ( 0.5000000 0.5000000 0.1148017), wk = 0.0025707 k( 361) = ( 0.5000000 0.5000000 0.1275574), wk = 0.0025707 k( 362) = ( 0.5000000 0.5000000 0.1403132), wk = 0.0025707 k( 363) = ( 0.5000000 0.5000000 0.1530689), wk = 0.0025707 k( 364) = ( 0.5000000 0.5000000 0.1658247), wk = 0.0025707 k( 365) = ( 0.5000000 0.5000000 0.1785804), wk = 0.0025707 k( 366) = ( 0.5000000 0.5000000 0.1913361), wk = 0.0025707 k( 367) = ( 0.5000000 0.5000000 0.2040919), wk = 0.0025707 k( 368) = ( 0.5000000 0.5000000 0.2168476), wk = 0.0025707 k( 369) = ( 0.5000000 0.5000000 0.2296034), wk = 0.0025707 k( 370) = ( 0.5000000 0.5000000 0.2423591), wk = 0.0025707 k( 371) = ( 0.5000000 0.5000000 0.2551149), wk = 0.0025707 k( 372) = ( 0.5000000 0.5000000 0.2678706), wk = 0.0025707 k( 373) = ( 0.5000000 0.5000000 0.2806263), wk = 0.0025707 k( 374) = ( 0.5000000 0.5000000 0.2933821), wk = 0.0025707 k( 375) = ( 0.5000000 0.5000000 0.3061378), wk = 0.0025707 k( 376) = ( 0.5000000 0.5000000 0.3188936), wk = 0.0025707 k( 377) = ( 0.5000000 0.5000000 0.3316493), wk = 0.0025707 k( 378) = ( 0.5000000 0.5000000 0.3444051), wk = 0.0025707 k( 379) = ( 0.5000000 0.5000000 0.3571608), wk = 0.0025707 k( 380) = ( 0.5000000 0.5000000 0.3699166), wk = 0.0025707 k( 381) = ( 0.5000000 0.5000000 0.3826723), wk = 0.0025707 k( 382) = ( 0.5000000 0.5000000 0.3954280), wk = 0.0025707 k( 383) = ( 0.5000000 0.5000000 0.4081838), wk = 0.0025707 k( 384) = ( 0.5000000 0.5000000 0.4209395), wk = 0.0025707 k( 385) = ( 0.5000000 0.5000000 0.4336953), wk = 0.0025707 k( 386) = ( 0.5000000 0.5000000 0.4464510), wk = 0.0025707 k( 387) = ( 0.5000000 0.5000000 0.4592068), wk = 0.0025707 k( 388) = ( 0.5000000 0.5000000 0.4719625), wk = 0.0025707 k( 389) = ( 0.5000000 0.5000000 0.4847182), wk = 0.0025707 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025707 k( 2) = ( 0.0000000 0.0128205 0.0000000), wk = 0.0025707 k( 3) = ( 0.0000000 0.0256410 0.0000000), wk = 0.0025707 k( 4) = ( 0.0000000 0.0384615 0.0000000), wk = 0.0025707 k( 5) = ( 0.0000000 0.0512821 0.0000000), wk = 0.0025707 k( 6) = ( 0.0000000 0.0641026 0.0000000), wk = 0.0025707 k( 7) = ( 0.0000000 0.0769231 0.0000000), wk = 0.0025707 k( 8) = ( 0.0000000 0.0897436 0.0000000), wk = 0.0025707 k( 9) = ( 0.0000000 0.1025641 0.0000000), wk = 0.0025707 k( 10) = ( 0.0000000 0.1153846 0.0000000), wk = 0.0025707 k( 11) = ( 0.0000000 0.1282051 0.0000000), wk = 0.0025707 k( 12) = ( 0.0000000 0.1410256 0.0000000), wk = 0.0025707 k( 13) = ( 0.0000000 0.1538461 0.0000000), wk = 0.0025707 k( 14) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0025707 k( 15) = ( 0.0000000 0.1794872 0.0000000), wk = 0.0025707 k( 16) = ( 0.0000000 0.1923077 0.0000000), wk = 0.0025707 k( 17) = ( 0.0000000 0.2051282 0.0000000), wk = 0.0025707 k( 18) = ( 0.0000000 0.2179487 0.0000000), wk = 0.0025707 k( 19) = ( 0.0000000 0.2307692 0.0000000), wk = 0.0025707 k( 20) = ( 0.0000000 0.2435897 0.0000000), wk = 0.0025707 k( 21) = ( 0.0000000 0.2564103 0.0000000), wk = 0.0025707 k( 22) = ( 0.0000000 0.2692308 0.0000000), wk = 0.0025707 k( 23) = ( 0.0000000 0.2820513 0.0000000), wk = 0.0025707 k( 24) = ( 0.0000000 0.2948718 0.0000000), wk = 0.0025707 k( 25) = ( 0.0000000 0.3076923 0.0000000), wk = 0.0025707 k( 26) = ( 0.0000000 0.3205128 0.0000000), wk = 0.0025707 k( 27) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0025707 k( 28) = ( 0.0000000 0.3461538 0.0000000), wk = 0.0025707 k( 29) = ( 0.0000000 0.3589744 0.0000000), wk = 0.0025707 k( 30) = ( 0.0000000 0.3717949 0.0000000), wk = 0.0025707 k( 31) = ( 0.0000000 0.3846154 0.0000000), wk = 0.0025707 k( 32) = ( 0.0000000 0.3974359 0.0000000), wk = 0.0025707 k( 33) = ( 0.0000000 0.4102564 0.0000000), wk = 0.0025707 k( 34) = ( 0.0000000 0.4230769 0.0000000), wk = 0.0025707 k( 35) = ( 0.0000000 0.4358974 0.0000000), wk = 0.0025707 k( 36) = ( 0.0000000 0.4487179 0.0000000), wk = 0.0025707 k( 37) = ( 0.0000000 0.4615385 0.0000000), wk = 0.0025707 k( 38) = ( 0.0000000 0.4743590 0.0000000), wk = 0.0025707 k( 39) = ( 0.0000000 0.4871795 0.0000000), wk = 0.0025707 k( 40) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025707 k( 41) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025707 k( 42) = ( 0.0128205 0.5000000 0.0000000), wk = 0.0025707 k( 43) = ( 0.0256410 0.5000000 0.0000000), wk = 0.0025707 k( 44) = ( 0.0384615 0.5000000 0.0000000), wk = 0.0025707 k( 45) = ( 0.0512821 0.5000000 0.0000000), wk = 0.0025707 k( 46) = ( 0.0641026 0.5000000 0.0000000), wk = 0.0025707 k( 47) = ( 0.0769231 0.5000000 0.0000000), wk = 0.0025707 k( 48) = ( 0.0897436 0.5000000 0.0000000), wk = 0.0025707 k( 49) = ( 0.1025641 0.5000000 0.0000000), wk = 0.0025707 k( 50) = ( 0.1153846 0.5000000 0.0000000), wk = 0.0025707 k( 51) = ( 0.1282051 0.5000000 0.0000000), wk = 0.0025707 k( 52) = ( 0.1410256 0.5000000 0.0000000), wk = 0.0025707 k( 53) = ( 0.1538461 0.5000000 -0.0000000), wk = 0.0025707 k( 54) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0025707 k( 55) = ( 0.1794872 0.5000000 0.0000000), wk = 0.0025707 k( 56) = ( 0.1923077 0.5000000 0.0000000), wk = 0.0025707 k( 57) = ( 0.2051282 0.5000000 0.0000000), wk = 0.0025707 k( 58) = ( 0.2179487 0.5000000 0.0000000), wk = 0.0025707 k( 59) = ( 0.2307692 0.5000000 0.0000000), wk = 0.0025707 k( 60) = ( 0.2435897 0.5000000 0.0000000), wk = 0.0025707 k( 61) = ( 0.2564103 0.5000000 0.0000000), wk = 0.0025707 k( 62) = ( 0.2692308 0.5000000 0.0000000), wk = 0.0025707 k( 63) = ( 0.2820513 0.5000000 0.0000000), wk = 0.0025707 k( 64) = ( 0.2948718 0.5000000 0.0000000), wk = 0.0025707 k( 65) = ( 0.3076923 0.5000000 0.0000000), wk = 0.0025707 k( 66) = ( 0.3205128 0.5000000 0.0000000), wk = 0.0025707 k( 67) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0025707 k( 68) = ( 0.3461538 0.5000000 0.0000000), wk = 0.0025707 k( 69) = ( 0.3589744 0.5000000 -0.0000000), wk = 0.0025707 k( 70) = ( 0.3717949 0.5000000 0.0000000), wk = 0.0025707 k( 71) = ( 0.3846154 0.5000000 0.0000000), wk = 0.0025707 k( 72) = ( 0.3974359 0.5000000 0.0000000), wk = 0.0025707 k( 73) = ( 0.4102564 0.5000000 0.0000000), wk = 0.0025707 k( 74) = ( 0.4230769 0.5000000 0.0000000), wk = 0.0025707 k( 75) = ( 0.4358974 0.5000000 0.0000000), wk = 0.0025707 k( 76) = ( 0.4487179 0.5000000 0.0000000), wk = 0.0025707 k( 77) = ( 0.4615385 0.5000000 0.0000000), wk = 0.0025707 k( 78) = ( 0.4743590 0.5000000 0.0000000), wk = 0.0025707 k( 79) = ( 0.4871795 0.5000000 0.0000000), wk = 0.0025707 k( 80) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025707 k( 81) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025707 k( 82) = ( 0.4909091 0.4909091 0.0000000), wk = 0.0025707 k( 83) = ( 0.4818182 0.4818182 0.0000000), wk = 0.0025707 k( 84) = ( 0.4727273 0.4727273 0.0000000), wk = 0.0025707 k( 85) = ( 0.4636364 0.4636364 0.0000000), wk = 0.0025707 k( 86) = ( 0.4545455 0.4545455 0.0000000), wk = 0.0025707 k( 87) = ( 0.4454546 0.4454546 0.0000000), wk = 0.0025707 k( 88) = ( 0.4363636 0.4363636 0.0000000), wk = 0.0025707 k( 89) = ( 0.4272727 0.4272727 0.0000000), wk = 0.0025707 k( 90) = ( 0.4181818 0.4181818 0.0000000), wk = 0.0025707 k( 91) = ( 0.4090909 0.4090909 0.0000000), wk = 0.0025707 k( 92) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0025707 k( 93) = ( 0.3909091 0.3909091 0.0000000), wk = 0.0025707 k( 94) = ( 0.3818182 0.3818182 0.0000000), wk = 0.0025707 k( 95) = ( 0.3727273 0.3727273 0.0000000), wk = 0.0025707 k( 96) = ( 0.3636364 0.3636364 0.0000000), wk = 0.0025707 k( 97) = ( 0.3545454 0.3545454 0.0000000), wk = 0.0025707 k( 98) = ( 0.3454546 0.3454546 0.0000000), wk = 0.0025707 k( 99) = ( 0.3363636 0.3363636 0.0000000), wk = 0.0025707 k( 100) = ( 0.3272727 0.3272727 -0.0000000), wk = 0.0025707 k( 101) = ( 0.3181818 0.3181818 0.0000000), wk = 0.0025707 k( 102) = ( 0.3090909 0.3090909 0.0000000), wk = 0.0025707 k( 103) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0025707 k( 104) = ( 0.2909091 0.2909091 -0.0000000), wk = 0.0025707 k( 105) = ( 0.2818182 0.2818182 0.0000000), wk = 0.0025707 k( 106) = ( 0.2727273 0.2727273 0.0000000), wk = 0.0025707 k( 107) = ( 0.2636364 0.2636364 0.0000000), wk = 0.0025707 k( 108) = ( 0.2545455 0.2545455 0.0000000), wk = 0.0025707 k( 109) = ( 0.2454545 0.2454545 0.0000000), wk = 0.0025707 k( 110) = ( 0.2363636 0.2363636 0.0000000), wk = 0.0025707 k( 111) = ( 0.2272727 0.2272727 0.0000000), wk = 0.0025707 k( 112) = ( 0.2181818 0.2181818 0.0000000), wk = 0.0025707 k( 113) = ( 0.2090909 0.2090909 0.0000000), wk = 0.0025707 k( 114) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0025707 k( 115) = ( 0.1909091 0.1909091 0.0000000), wk = 0.0025707 k( 116) = ( 0.1818182 0.1818182 0.0000000), wk = 0.0025707 k( 117) = ( 0.1727273 0.1727273 0.0000000), wk = 0.0025707 k( 118) = ( 0.1636364 0.1636364 0.0000000), wk = 0.0025707 k( 119) = ( 0.1545455 0.1545455 0.0000000), wk = 0.0025707 k( 120) = ( 0.1454545 0.1454545 0.0000000), wk = 0.0025707 k( 121) = ( 0.1363636 0.1363636 0.0000000), wk = 0.0025707 k( 122) = ( 0.1272727 0.1272727 0.0000000), wk = 0.0025707 k( 123) = ( 0.1181818 0.1181818 0.0000000), wk = 0.0025707 k( 124) = ( 0.1090909 0.1090909 0.0000000), wk = 0.0025707 k( 125) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0025707 k( 126) = ( 0.0909091 0.0909091 0.0000000), wk = 0.0025707 k( 127) = ( 0.0818182 0.0818182 0.0000000), wk = 0.0025707 k( 128) = ( 0.0727273 0.0727273 0.0000000), wk = 0.0025707 k( 129) = ( 0.0636364 0.0636364 0.0000000), wk = 0.0025707 k( 130) = ( 0.0545455 0.0545455 0.0000000), wk = 0.0025707 k( 131) = ( 0.0454546 0.0454546 0.0000000), wk = 0.0025707 k( 132) = ( 0.0363636 0.0363636 0.0000000), wk = 0.0025707 k( 133) = ( 0.0272727 0.0272727 0.0000000), wk = 0.0025707 k( 134) = ( 0.0181818 0.0181818 0.0000000), wk = 0.0025707 k( 135) = ( 0.0090909 0.0090909 0.0000000), wk = 0.0025707 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025707 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025707 k( 138) = ( 0.0000000 0.0000000 0.0131579), wk = 0.0025707 k( 139) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0025707 k( 140) = ( 0.0000000 0.0000000 0.0394737), wk = 0.0025707 k( 141) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0025707 k( 142) = ( 0.0000000 0.0000000 0.0657895), wk = 0.0025707 k( 143) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0025707 k( 144) = ( 0.0000000 0.0000000 0.0921053), wk = 0.0025707 k( 145) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0025707 k( 146) = ( 0.0000000 0.0000000 0.1184210), wk = 0.0025707 k( 147) = ( 0.0000000 0.0000000 0.1315790), wk = 0.0025707 k( 148) = ( 0.0000000 0.0000000 0.1447368), wk = 0.0025707 k( 149) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0025707 k( 150) = ( 0.0000000 0.0000000 0.1710526), wk = 0.0025707 k( 151) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0025707 k( 152) = ( 0.0000000 0.0000000 0.1973684), wk = 0.0025707 k( 153) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0025707 k( 154) = ( 0.0000000 0.0000000 0.2236842), wk = 0.0025707 k( 155) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0025707 k( 156) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0025707 k( 157) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0025707 k( 158) = ( 0.0000000 0.0000000 0.2763158), wk = 0.0025707 k( 159) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0025707 k( 160) = ( 0.0000000 0.0000000 0.3026316), wk = 0.0025707 k( 161) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0025707 k( 162) = ( 0.0000000 0.0000000 0.3289474), wk = 0.0025707 k( 163) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0025707 k( 164) = ( 0.0000000 0.0000000 0.3552632), wk = 0.0025707 k( 165) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0025707 k( 166) = ( 0.0000000 0.0000000 0.3815789), wk = 0.0025707 k( 167) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0025707 k( 168) = ( 0.0000000 0.0000000 0.4078947), wk = 0.0025707 k( 169) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0025707 k( 170) = ( 0.0000000 0.0000000 0.4342105), wk = 0.0025707 k( 171) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0025707 k( 172) = ( 0.0000000 0.0000000 0.4605263), wk = 0.0025707 k( 173) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0025707 k( 174) = ( 0.0000000 0.0000000 0.4868421), wk = 0.0025707 k( 175) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025707 k( 176) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025707 k( 177) = ( 0.0000000 0.0128205 0.5000000), wk = 0.0025707 k( 178) = ( 0.0000000 0.0256410 0.5000000), wk = 0.0025707 k( 179) = ( 0.0000000 0.0384615 0.5000000), wk = 0.0025707 k( 180) = ( 0.0000000 0.0512821 0.5000000), wk = 0.0025707 k( 181) = ( 0.0000000 0.0641026 0.5000000), wk = 0.0025707 k( 182) = ( 0.0000000 0.0769231 0.5000000), wk = 0.0025707 k( 183) = ( 0.0000000 0.0897436 0.5000000), wk = 0.0025707 k( 184) = ( 0.0000000 0.1025641 0.5000000), wk = 0.0025707 k( 185) = ( 0.0000000 0.1153846 0.5000000), wk = 0.0025707 k( 186) = ( 0.0000000 0.1282051 0.5000000), wk = 0.0025707 k( 187) = ( 0.0000000 0.1410256 0.5000000), wk = 0.0025707 k( 188) = ( 0.0000000 0.1538461 0.5000000), wk = 0.0025707 k( 189) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0025707 k( 190) = ( 0.0000000 0.1794872 0.5000000), wk = 0.0025707 k( 191) = ( 0.0000000 0.1923077 0.5000000), wk = 0.0025707 k( 192) = ( 0.0000000 0.2051282 0.5000000), wk = 0.0025707 k( 193) = ( 0.0000000 0.2179487 0.5000000), wk = 0.0025707 k( 194) = ( 0.0000000 0.2307692 0.5000000), wk = 0.0025707 k( 195) = ( 0.0000000 0.2435897 0.5000000), wk = 0.0025707 k( 196) = ( 0.0000000 0.2564103 0.5000000), wk = 0.0025707 k( 197) = ( 0.0000000 0.2692308 0.5000000), wk = 0.0025707 k( 198) = ( 0.0000000 0.2820513 0.5000000), wk = 0.0025707 k( 199) = ( 0.0000000 0.2948718 0.5000000), wk = 0.0025707 k( 200) = ( 0.0000000 0.3076923 0.5000000), wk = 0.0025707 k( 201) = ( 0.0000000 0.3205128 0.5000000), wk = 0.0025707 k( 202) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0025707 k( 203) = ( 0.0000000 0.3461538 0.5000000), wk = 0.0025707 k( 204) = ( 0.0000000 0.3589744 0.5000000), wk = 0.0025707 k( 205) = ( 0.0000000 0.3717949 0.5000000), wk = 0.0025707 k( 206) = ( 0.0000000 0.3846154 0.5000000), wk = 0.0025707 k( 207) = ( 0.0000000 0.3974359 0.5000000), wk = 0.0025707 k( 208) = ( 0.0000000 0.4102564 0.5000000), wk = 0.0025707 k( 209) = ( 0.0000000 0.4230769 0.5000000), wk = 0.0025707 k( 210) = ( 0.0000000 0.4358974 0.5000000), wk = 0.0025707 k( 211) = ( 0.0000000 0.4487179 0.5000000), wk = 0.0025707 k( 212) = ( 0.0000000 0.4615385 0.5000000), wk = 0.0025707 k( 213) = ( 0.0000000 0.4743590 0.5000000), wk = 0.0025707 k( 214) = ( 0.0000000 0.4871795 0.5000000), wk = 0.0025707 k( 215) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025707 k( 216) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025707 k( 217) = ( 0.0128205 0.5000000 0.5000000), wk = 0.0025707 k( 218) = ( 0.0256410 0.5000000 0.5000000), wk = 0.0025707 k( 219) = ( 0.0384615 0.5000000 0.5000000), wk = 0.0025707 k( 220) = ( 0.0512821 0.5000000 0.5000000), wk = 0.0025707 k( 221) = ( 0.0641026 0.5000000 0.5000000), wk = 0.0025707 k( 222) = ( 0.0769231 0.5000000 0.5000000), wk = 0.0025707 k( 223) = ( 0.0897436 0.5000000 0.5000000), wk = 0.0025707 k( 224) = ( 0.1025641 0.5000000 0.5000000), wk = 0.0025707 k( 225) = ( 0.1153846 0.5000000 0.5000000), wk = 0.0025707 k( 226) = ( 0.1282051 0.5000000 0.5000000), wk = 0.0025707 k( 227) = ( 0.1410256 0.5000000 0.5000000), wk = 0.0025707 k( 228) = ( 0.1538461 0.5000000 0.5000000), wk = 0.0025707 k( 229) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0025707 k( 230) = ( 0.1794872 0.5000000 0.5000000), wk = 0.0025707 k( 231) = ( 0.1923077 0.5000000 0.5000000), wk = 0.0025707 k( 232) = ( 0.2051282 0.5000000 0.5000000), wk = 0.0025707 k( 233) = ( 0.2179487 0.5000000 0.5000000), wk = 0.0025707 k( 234) = ( 0.2307692 0.5000000 0.5000000), wk = 0.0025707 k( 235) = ( 0.2435897 0.5000000 0.5000000), wk = 0.0025707 k( 236) = ( 0.2564103 0.5000000 0.5000000), wk = 0.0025707 k( 237) = ( 0.2692308 0.5000000 0.5000000), wk = 0.0025707 k( 238) = ( 0.2820513 0.5000000 0.5000000), wk = 0.0025707 k( 239) = ( 0.2948718 0.5000000 0.5000000), wk = 0.0025707 k( 240) = ( 0.3076923 0.5000000 0.5000000), wk = 0.0025707 k( 241) = ( 0.3205128 0.5000000 0.5000000), wk = 0.0025707 k( 242) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0025707 k( 243) = ( 0.3461538 0.5000000 0.5000000), wk = 0.0025707 k( 244) = ( 0.3589744 0.5000000 0.5000000), wk = 0.0025707 k( 245) = ( 0.3717949 0.5000000 0.5000000), wk = 0.0025707 k( 246) = ( 0.3846154 0.5000000 0.5000000), wk = 0.0025707 k( 247) = ( 0.3974359 0.5000000 0.5000000), wk = 0.0025707 k( 248) = ( 0.4102564 0.5000000 0.5000000), wk = 0.0025707 k( 249) = ( 0.4230769 0.5000000 0.5000000), wk = 0.0025707 k( 250) = ( 0.4358974 0.5000000 0.5000000), wk = 0.0025707 k( 251) = ( 0.4487179 0.5000000 0.5000000), wk = 0.0025707 k( 252) = ( 0.4615385 0.5000000 0.5000000), wk = 0.0025707 k( 253) = ( 0.4743590 0.5000000 0.5000000), wk = 0.0025707 k( 254) = ( 0.4871795 0.5000000 0.5000000), wk = 0.0025707 k( 255) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025707 k( 256) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025707 k( 257) = ( 0.4909091 0.4909091 0.5000000), wk = 0.0025707 k( 258) = ( 0.4818182 0.4818182 0.5000000), wk = 0.0025707 k( 259) = ( 0.4727273 0.4727273 0.5000000), wk = 0.0025707 k( 260) = ( 0.4636364 0.4636364 0.5000000), wk = 0.0025707 k( 261) = ( 0.4545455 0.4545455 0.5000000), wk = 0.0025707 k( 262) = ( 0.4454546 0.4454546 0.5000000), wk = 0.0025707 k( 263) = ( 0.4363636 0.4363636 0.5000000), wk = 0.0025707 k( 264) = ( 0.4272727 0.4272727 0.5000000), wk = 0.0025707 k( 265) = ( 0.4181818 0.4181818 0.5000000), wk = 0.0025707 k( 266) = ( 0.4090909 0.4090909 0.5000000), wk = 0.0025707 k( 267) = ( 0.4000000 0.4000000 0.5000000), wk = 0.0025707 k( 268) = ( 0.3909091 0.3909091 0.5000000), wk = 0.0025707 k( 269) = ( 0.3818182 0.3818182 0.5000000), wk = 0.0025707 k( 270) = ( 0.3727273 0.3727273 0.5000000), wk = 0.0025707 k( 271) = ( 0.3636364 0.3636364 0.5000000), wk = 0.0025707 k( 272) = ( 0.3545454 0.3545454 0.5000000), wk = 0.0025707 k( 273) = ( 0.3454546 0.3454546 0.5000000), wk = 0.0025707 k( 274) = ( 0.3363636 0.3363636 0.5000000), wk = 0.0025707 k( 275) = ( 0.3272727 0.3272727 0.5000000), wk = 0.0025707 k( 276) = ( 0.3181818 0.3181818 0.5000000), wk = 0.0025707 k( 277) = ( 0.3090909 0.3090909 0.5000000), wk = 0.0025707 k( 278) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0025707 k( 279) = ( 0.2909091 0.2909091 0.5000000), wk = 0.0025707 k( 280) = ( 0.2818182 0.2818182 0.5000000), wk = 0.0025707 k( 281) = ( 0.2727273 0.2727273 0.5000000), wk = 0.0025707 k( 282) = ( 0.2636364 0.2636364 0.5000000), wk = 0.0025707 k( 283) = ( 0.2545455 0.2545455 0.5000000), wk = 0.0025707 k( 284) = ( 0.2454545 0.2454545 0.5000000), wk = 0.0025707 k( 285) = ( 0.2363636 0.2363636 0.5000000), wk = 0.0025707 k( 286) = ( 0.2272727 0.2272727 0.5000000), wk = 0.0025707 k( 287) = ( 0.2181818 0.2181818 0.5000000), wk = 0.0025707 k( 288) = ( 0.2090909 0.2090909 0.5000000), wk = 0.0025707 k( 289) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0025707 k( 290) = ( 0.1909091 0.1909091 0.5000000), wk = 0.0025707 k( 291) = ( 0.1818182 0.1818182 0.5000000), wk = 0.0025707 k( 292) = ( 0.1727273 0.1727273 0.5000000), wk = 0.0025707 k( 293) = ( 0.1636364 0.1636364 0.5000000), wk = 0.0025707 k( 294) = ( 0.1545455 0.1545455 0.5000000), wk = 0.0025707 k( 295) = ( 0.1454545 0.1454545 0.5000000), wk = 0.0025707 k( 296) = ( 0.1363636 0.1363636 0.5000000), wk = 0.0025707 k( 297) = ( 0.1272727 0.1272727 0.5000000), wk = 0.0025707 k( 298) = ( 0.1181818 0.1181818 0.5000000), wk = 0.0025707 k( 299) = ( 0.1090909 0.1090909 0.5000000), wk = 0.0025707 k( 300) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0025707 k( 301) = ( 0.0909091 0.0909091 0.5000000), wk = 0.0025707 k( 302) = ( 0.0818182 0.0818182 0.5000000), wk = 0.0025707 k( 303) = ( 0.0727273 0.0727273 0.5000000), wk = 0.0025707 k( 304) = ( 0.0636364 0.0636364 0.5000000), wk = 0.0025707 k( 305) = ( 0.0545455 0.0545455 0.5000000), wk = 0.0025707 k( 306) = ( 0.0454546 0.0454546 0.5000000), wk = 0.0025707 k( 307) = ( 0.0363636 0.0363636 0.5000000), wk = 0.0025707 k( 308) = ( 0.0272727 0.0272727 0.5000000), wk = 0.0025707 k( 309) = ( 0.0181818 0.0181818 0.5000000), wk = 0.0025707 k( 310) = ( 0.0090909 0.0090909 0.5000000), wk = 0.0025707 k( 311) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025707 k( 312) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025707 k( 313) = ( 0.0000000 0.5000000 0.0131579), wk = 0.0025707 k( 314) = ( 0.0000000 0.5000000 0.0263158), wk = 0.0025707 k( 315) = ( 0.0000000 0.5000000 0.0394737), wk = 0.0025707 k( 316) = ( 0.0000000 0.5000000 0.0526316), wk = 0.0025707 k( 317) = ( 0.0000000 0.5000000 0.0657895), wk = 0.0025707 k( 318) = ( 0.0000000 0.5000000 0.0789474), wk = 0.0025707 k( 319) = ( 0.0000000 0.5000000 0.0921053), wk = 0.0025707 k( 320) = ( 0.0000000 0.5000000 0.1052632), wk = 0.0025707 k( 321) = ( 0.0000000 0.5000000 0.1184210), wk = 0.0025707 k( 322) = ( 0.0000000 0.5000000 0.1315790), wk = 0.0025707 k( 323) = ( 0.0000000 0.5000000 0.1447368), wk = 0.0025707 k( 324) = ( 0.0000000 0.5000000 0.1578947), wk = 0.0025707 k( 325) = ( 0.0000000 0.5000000 0.1710526), wk = 0.0025707 k( 326) = ( 0.0000000 0.5000000 0.1842105), wk = 0.0025707 k( 327) = ( 0.0000000 0.5000000 0.1973684), wk = 0.0025707 k( 328) = ( 0.0000000 0.5000000 0.2105263), wk = 0.0025707 k( 329) = ( 0.0000000 0.5000000 0.2236842), wk = 0.0025707 k( 330) = ( 0.0000000 0.5000000 0.2368421), wk = 0.0025707 k( 331) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0025707 k( 332) = ( 0.0000000 0.5000000 0.2631579), wk = 0.0025707 k( 333) = ( 0.0000000 0.5000000 0.2763158), wk = 0.0025707 k( 334) = ( 0.0000000 0.5000000 0.2894737), wk = 0.0025707 k( 335) = ( 0.0000000 0.5000000 0.3026316), wk = 0.0025707 k( 336) = ( 0.0000000 0.5000000 0.3157895), wk = 0.0025707 k( 337) = ( 0.0000000 0.5000000 0.3289474), wk = 0.0025707 k( 338) = ( 0.0000000 0.5000000 0.3421053), wk = 0.0025707 k( 339) = ( 0.0000000 0.5000000 0.3552632), wk = 0.0025707 k( 340) = ( 0.0000000 0.5000000 0.3684211), wk = 0.0025707 k( 341) = ( 0.0000000 0.5000000 0.3815789), wk = 0.0025707 k( 342) = ( 0.0000000 0.5000000 0.3947368), wk = 0.0025707 k( 343) = ( 0.0000000 0.5000000 0.4078947), wk = 0.0025707 k( 344) = ( 0.0000000 0.5000000 0.4210526), wk = 0.0025707 k( 345) = ( 0.0000000 0.5000000 0.4342105), wk = 0.0025707 k( 346) = ( 0.0000000 0.5000000 0.4473684), wk = 0.0025707 k( 347) = ( 0.0000000 0.5000000 0.4605263), wk = 0.0025707 k( 348) = ( 0.0000000 0.5000000 0.4736842), wk = 0.0025707 k( 349) = ( 0.0000000 0.5000000 0.4868421), wk = 0.0025707 k( 350) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025707 k( 351) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025707 k( 352) = ( 0.5000000 0.5000000 0.0131579), wk = 0.0025707 k( 353) = ( 0.5000000 0.5000000 0.0263158), wk = 0.0025707 k( 354) = ( 0.5000000 0.5000000 0.0394737), wk = 0.0025707 k( 355) = ( 0.5000000 0.5000000 0.0526316), wk = 0.0025707 k( 356) = ( 0.5000000 0.5000000 0.0657895), wk = 0.0025707 k( 357) = ( 0.5000000 0.5000000 0.0789474), wk = 0.0025707 k( 358) = ( 0.5000000 0.5000000 0.0921053), wk = 0.0025707 k( 359) = ( 0.5000000 0.5000000 0.1052632), wk = 0.0025707 k( 360) = ( 0.5000000 0.5000000 0.1184210), wk = 0.0025707 k( 361) = ( 0.5000000 0.5000000 0.1315790), wk = 0.0025707 k( 362) = ( 0.5000000 0.5000000 0.1447368), wk = 0.0025707 k( 363) = ( 0.5000000 0.5000000 0.1578947), wk = 0.0025707 k( 364) = ( 0.5000000 0.5000000 0.1710526), wk = 0.0025707 k( 365) = ( 0.5000000 0.5000000 0.1842105), wk = 0.0025707 k( 366) = ( 0.5000000 0.5000000 0.1973684), wk = 0.0025707 k( 367) = ( 0.5000000 0.5000000 0.2105263), wk = 0.0025707 k( 368) = ( 0.5000000 0.5000000 0.2236842), wk = 0.0025707 k( 369) = ( 0.5000000 0.5000000 0.2368421), wk = 0.0025707 k( 370) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0025707 k( 371) = ( 0.5000000 0.5000000 0.2631579), wk = 0.0025707 k( 372) = ( 0.5000000 0.5000000 0.2763158), wk = 0.0025707 k( 373) = ( 0.5000000 0.5000000 0.2894737), wk = 0.0025707 k( 374) = ( 0.5000000 0.5000000 0.3026316), wk = 0.0025707 k( 375) = ( 0.5000000 0.5000000 0.3157895), wk = 0.0025707 k( 376) = ( 0.5000000 0.5000000 0.3289474), wk = 0.0025707 k( 377) = ( 0.5000000 0.5000000 0.3421053), wk = 0.0025707 k( 378) = ( 0.5000000 0.5000000 0.3552632), wk = 0.0025707 k( 379) = ( 0.5000000 0.5000000 0.3684211), wk = 0.0025707 k( 380) = ( 0.5000000 0.5000000 0.3815789), wk = 0.0025707 k( 381) = ( 0.5000000 0.5000000 0.3947368), wk = 0.0025707 k( 382) = ( 0.5000000 0.5000000 0.4078947), wk = 0.0025707 k( 383) = ( 0.5000000 0.5000000 0.4210526), wk = 0.0025707 k( 384) = ( 0.5000000 0.5000000 0.4342105), wk = 0.0025707 k( 385) = ( 0.5000000 0.5000000 0.4473684), wk = 0.0025707 k( 386) = ( 0.5000000 0.5000000 0.4605263), wk = 0.0025707 k( 387) = ( 0.5000000 0.5000000 0.4736842), wk = 0.0025707 k( 388) = ( 0.5000000 0.5000000 0.4868421), wk = 0.0025707 k( 389) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025707 Dense grid: 59485 G-vectors FFT dimensions: ( 48, 48, 50) Smooth grid: 28459 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.11 Mb ( 232, 32) NL pseudopotentials 0.15 Mb ( 116, 82) Each V/rho on FFT grid 0.07 Mb ( 4608) Each G-vector array 0.01 Mb ( 1860) G-vector shells 0.01 Mb ( 907) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.45 Mb ( 232, 128) Each subspace H/S matrix 0.25 Mb ( 128, 128) Each matrix 0.08 Mb ( 82, 2, 32) Check: negative/imaginary core charge= -0.000010 0.000000 The potential is recalculated from file : ./MgCl2.save/charge-density.dat Starting wfc are 26 randomized atomic wfcs + 6 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.2 secs Computing kpt #: 2 total cpu time spent up to now is 3.7 secs Computing kpt #: 3 total cpu time spent up to now is 4.3 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 5.4 secs Computing kpt #: 6 total cpu time spent up to now is 5.9 secs Computing kpt #: 7 total cpu time spent up to now is 6.4 secs Computing kpt #: 8 total cpu time spent up to now is 6.9 secs Computing kpt #: 9 total cpu time spent up to now is 7.3 secs Computing kpt #: 10 total cpu time spent up to now is 7.8 secs Computing kpt #: 11 total cpu time spent up to now is 8.3 secs Computing kpt #: 12 total cpu time spent up to now is 8.7 secs Computing kpt #: 13 total cpu time spent up to now is 9.2 secs Computing kpt #: 14 total cpu time spent up to now is 9.7 secs Computing kpt #: 15 total cpu time spent up to now is 10.1 secs Computing kpt #: 16 total cpu time spent up to now is 10.6 secs Computing kpt #: 17 total cpu time spent up to now is 11.1 secs Computing kpt #: 18 total cpu time spent up to now is 11.7 secs Computing kpt #: 19 total cpu time spent up to now is 12.2 secs Computing kpt #: 20 total cpu time spent up to now is 12.7 secs Computing kpt #: 21 total cpu time spent up to now is 13.2 secs Computing kpt #: 22 total cpu time spent up to now is 13.7 secs Computing kpt #: 23 total cpu time spent up to now is 14.3 secs Computing kpt #: 24 total cpu time spent up to now is 14.8 secs Computing kpt #: 25 total cpu time spent up to now is 15.4 secs Computing kpt #: 26 total cpu time spent up to now is 16.0 secs Computing kpt #: 27 total cpu time spent up to now is 16.6 secs Computing kpt #: 28 total cpu time spent up to now is 17.3 secs Computing kpt #: 29 total cpu time spent up to now is 17.9 secs Computing kpt #: 30 total cpu time spent up to now is 18.6 secs Computing kpt #: 31 total cpu time spent up to now is 19.3 secs Computing kpt #: 32 total cpu time spent up to now is 20.0 secs Computing kpt #: 33 total cpu time spent up to now is 20.7 secs Computing kpt #: 34 total cpu time spent up to now is 21.3 secs Computing kpt #: 35 total cpu time spent up to now is 22.0 secs Computing kpt #: 36 total cpu time spent up to now is 22.6 secs Computing kpt #: 37 total cpu time spent up to now is 23.3 secs Computing kpt #: 38 total cpu time spent up to now is 24.0 secs Computing kpt #: 39 total cpu time spent up to now is 24.7 secs Computing kpt #: 40 total cpu time spent up to now is 25.4 secs Computing kpt #: 41 total cpu time spent up to now is 26.1 secs Computing kpt #: 42 total cpu time spent up to now is 26.8 secs Computing kpt #: 43 total cpu time spent up to now is 27.5 secs Computing kpt #: 44 total cpu time spent up to now is 28.2 secs Computing kpt #: 45 total cpu time spent up to now is 28.9 secs Computing kpt #: 46 total cpu time spent up to now is 29.5 secs Computing kpt #: 47 total cpu time spent up to now is 30.2 secs Computing kpt #: 48 total cpu time spent up to now is 30.9 secs Computing kpt #: 49 total cpu time spent up to now is 31.6 secs Computing kpt #: 50 total cpu time spent up to now is 32.2 secs Computing kpt #: 51 total cpu time spent up to now is 32.8 secs Computing kpt #: 52 total cpu time spent up to now is 33.3 secs Computing kpt #: 53 total cpu time spent up to now is 33.8 secs Computing kpt #: 54 total cpu time spent up to now is 34.3 secs Computing kpt #: 55 total cpu time spent up to now is 34.8 secs Computing kpt #: 56 total cpu time spent up to now is 35.2 secs Computing kpt #: 57 total cpu time spent up to now is 35.7 secs Computing kpt #: 58 total cpu time spent up to now is 36.1 secs Computing kpt #: 59 total cpu time spent up to now is 36.5 secs Computing kpt #: 60 total cpu time spent up to now is 36.9 secs Computing kpt #: 61 total cpu time spent up to now is 37.3 secs Computing kpt #: 62 total cpu time spent up to now is 37.8 secs Computing kpt #: 63 total cpu time spent up to now is 38.2 secs Computing kpt #: 64 total cpu time spent up to now is 38.6 secs Computing kpt #: 65 total cpu time spent up to now is 39.0 secs Computing kpt #: 66 total cpu time spent up to now is 39.4 secs Computing kpt #: 67 total cpu time spent up to now is 39.8 secs Computing kpt #: 68 total cpu time spent up to now is 40.3 secs Computing kpt #: 69 total cpu time spent up to now is 40.7 secs Computing kpt #: 70 total cpu time spent up to now is 41.2 secs Computing kpt #: 71 total cpu time spent up to now is 41.6 secs Computing kpt #: 72 total cpu time spent up to now is 42.2 secs Computing kpt #: 73 total cpu time spent up to now is 42.7 secs Computing kpt #: 74 total cpu time spent up to now is 43.3 secs Computing kpt #: 75 total cpu time spent up to now is 43.7 secs Computing kpt #: 76 total cpu time spent up to now is 44.2 secs Computing kpt #: 77 total cpu time spent up to now is 44.7 secs Computing kpt #: 78 total cpu time spent up to now is 45.1 secs Computing kpt #: 79 total cpu time spent up to now is 45.6 secs Computing kpt #: 80 total cpu time spent up to now is 46.1 secs Computing kpt #: 81 total cpu time spent up to now is 46.5 secs Computing kpt #: 82 total cpu time spent up to now is 47.0 secs Computing kpt #: 83 total cpu time spent up to now is 47.5 secs Computing kpt #: 84 total cpu time spent up to now is 47.9 secs Computing kpt #: 85 total cpu time spent up to now is 48.4 secs Computing kpt #: 86 total cpu time spent up to now is 48.9 secs Computing kpt #: 87 total cpu time spent up to now is 49.4 secs Computing kpt #: 88 total cpu time spent up to now is 50.0 secs Computing kpt #: 89 total cpu time spent up to now is 50.5 secs Computing kpt #: 90 total cpu time spent up to now is 51.0 secs Computing kpt #: 91 total cpu time spent up to now is 51.5 secs Computing kpt #: 92 total cpu time spent up to now is 52.0 secs Computing kpt #: 93 total cpu time spent up to now is 52.4 secs Computing kpt #: 94 total cpu time spent up to now is 52.9 secs Computing kpt #: 95 total cpu time spent up to now is 53.4 secs Computing kpt #: 96 total cpu time spent up to now is 53.8 secs Computing kpt #: 97 total cpu time spent up to now is 54.3 secs Computing kpt #: 98 total cpu time spent up to now is 54.8 secs Computing kpt #: 99 total cpu time spent up to now is 55.3 secs Computing kpt #: 100 total cpu time spent up to now is 55.8 secs Computing kpt #: 101 total cpu time spent up to now is 56.3 secs Computing kpt #: 102 total cpu time spent up to now is 56.8 secs Computing kpt #: 103 total cpu time spent up to now is 57.3 secs Computing kpt #: 104 total cpu time spent up to now is 57.9 secs Computing kpt #: 105 total cpu time spent up to now is 58.5 secs Computing kpt #: 106 total cpu time spent up to now is 59.0 secs Computing kpt #: 107 total cpu time spent up to now is 59.6 secs Computing kpt #: 108 total cpu time spent up to now is 60.2 secs Computing kpt #: 109 total cpu time spent up to now is 60.7 secs Computing kpt #: 110 total cpu time spent up to now is 61.3 secs Computing kpt #: 111 total cpu time spent up to now is 61.9 secs Computing kpt #: 112 total cpu time spent up to now is 62.4 secs Computing kpt #: 113 total cpu time spent up to now is 62.9 secs Computing kpt #: 114 total cpu time spent up to now is 63.3 secs Computing kpt #: 115 total cpu time spent up to now is 63.8 secs Computing kpt #: 116 total cpu time spent up to now is 64.2 secs Computing kpt #: 117 total cpu time spent up to now is 64.6 secs Computing kpt #: 118 total cpu time spent up to now is 65.1 secs Computing kpt #: 119 total cpu time spent up to now is 65.5 secs Computing kpt #: 120 total cpu time spent up to now is 66.0 secs Computing kpt #: 121 total cpu time spent up to now is 66.4 secs Computing kpt #: 122 total cpu time spent up to now is 66.9 secs Computing kpt #: 123 total cpu time spent up to now is 67.4 secs Computing kpt #: 124 total cpu time spent up to now is 67.8 secs Computing kpt #: 125 total cpu time spent up to now is 68.3 secs Computing kpt #: 126 total cpu time spent up to now is 68.8 secs Computing kpt #: 127 total cpu time spent up to now is 69.2 secs Computing kpt #: 128 total cpu time spent up to now is 69.8 secs Computing kpt #: 129 total cpu time spent up to now is 70.3 secs Computing kpt #: 130 total cpu time spent up to now is 70.8 secs Computing kpt #: 131 total cpu time spent up to now is 71.4 secs Computing kpt #: 132 total cpu time spent up to now is 71.9 secs Computing kpt #: 133 total cpu time spent up to now is 72.4 secs Computing kpt #: 134 total cpu time spent up to now is 73.0 secs Computing kpt #: 135 total cpu time spent up to now is 73.5 secs Computing kpt #: 136 total cpu time spent up to now is 74.0 secs Computing kpt #: 137 total cpu time spent up to now is 74.5 secs Computing kpt #: 138 total cpu time spent up to now is 75.0 secs Computing kpt #: 139 total cpu time spent up to now is 75.5 secs Computing kpt #: 140 total cpu time spent up to now is 76.0 secs Computing kpt #: 141 total cpu time spent up to now is 76.5 secs Computing kpt #: 142 total cpu time spent up to now is 77.0 secs Computing kpt #: 143 total cpu time spent up to now is 77.5 secs Computing kpt #: 144 total cpu time spent up to now is 78.0 secs Computing kpt #: 145 total cpu time spent up to now is 78.6 secs Computing kpt #: 146 total cpu time spent up to now is 79.1 secs Computing kpt #: 147 total cpu time spent up to now is 79.7 secs Computing kpt #: 148 total cpu time spent up to now is 80.2 secs Computing kpt #: 149 total cpu time spent up to now is 80.8 secs Computing kpt #: 150 total cpu time spent up to now is 81.5 secs Computing kpt #: 151 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 82.5 secs Computing kpt #: 152 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 83.5 secs Computing kpt #: 153 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 84.5 secs Computing kpt #: 154 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 85.5 secs Computing kpt #: 155 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 86.5 secs Computing kpt #: 156 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 87.4 secs Computing kpt #: 157 total cpu time spent up to now is 88.2 secs Computing kpt #: 158 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 89.2 secs Computing kpt #: 159 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 90.1 secs Computing kpt #: 160 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 91.1 secs Computing kpt #: 161 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 92.1 secs Computing kpt #: 162 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 93.1 secs Computing kpt #: 163 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 94.1 secs Computing kpt #: 164 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 95.1 secs Computing kpt #: 165 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 96.0 secs Computing kpt #: 166 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 97.0 secs Computing kpt #: 167 total cpu time spent up to now is 97.7 secs Computing kpt #: 168 total cpu time spent up to now is 98.3 secs Computing kpt #: 169 total cpu time spent up to now is 98.8 secs Computing kpt #: 170 total cpu time spent up to now is 99.4 secs Computing kpt #: 171 total cpu time spent up to now is 100.0 secs Computing kpt #: 172 total cpu time spent up to now is 100.6 secs Computing kpt #: 173 total cpu time spent up to now is 101.2 secs Computing kpt #: 174 total cpu time spent up to now is 101.7 secs Computing kpt #: 175 total cpu time spent up to now is 102.2 secs Computing kpt #: 176 total cpu time spent up to now is 102.7 secs Computing kpt #: 177 total cpu time spent up to now is 103.3 secs Computing kpt #: 178 total cpu time spent up to now is 103.9 secs Computing kpt #: 179 total cpu time spent up to now is 104.5 secs Computing kpt #: 180 total cpu time spent up to now is 105.1 secs Computing kpt #: 181 total cpu time spent up to now is 105.7 secs Computing kpt #: 182 total cpu time spent up to now is 106.3 secs Computing kpt #: 183 total cpu time spent up to now is 106.9 secs Computing kpt #: 184 total cpu time spent up to now is 107.4 secs Computing kpt #: 185 total cpu time spent up to now is 107.8 secs Computing kpt #: 186 total cpu time spent up to now is 108.3 secs Computing kpt #: 187 total cpu time spent up to now is 108.7 secs Computing kpt #: 188 total cpu time spent up to now is 109.2 secs Computing kpt #: 189 total cpu time spent up to now is 109.6 secs Computing kpt #: 190 total cpu time spent up to now is 110.0 secs Computing kpt #: 191 total cpu time spent up to now is 110.4 secs Computing kpt #: 192 total cpu time spent up to now is 110.9 secs Computing kpt #: 193 total cpu time spent up to now is 111.3 secs Computing kpt #: 194 total cpu time spent up to now is 111.7 secs Computing kpt #: 195 total cpu time spent up to now is 112.2 secs Computing kpt #: 196 total cpu time spent up to now is 112.6 secs Computing kpt #: 197 total cpu time spent up to now is 113.0 secs Computing kpt #: 198 total cpu time spent up to now is 113.4 secs Computing kpt #: 199 total cpu time spent up to now is 113.8 secs Computing kpt #: 200 total cpu time spent up to now is 114.3 secs Computing kpt #: 201 total cpu time spent up to now is 114.7 secs Computing kpt #: 202 total cpu time spent up to now is 115.1 secs Computing kpt #: 203 total cpu time spent up to now is 115.6 secs Computing kpt #: 204 total cpu time spent up to now is 116.0 secs Computing kpt #: 205 total cpu time spent up to now is 116.5 secs Computing kpt #: 206 total cpu time spent up to now is 117.1 secs Computing kpt #: 207 total cpu time spent up to now is 117.6 secs Computing kpt #: 208 total cpu time spent up to now is 118.1 secs Computing kpt #: 209 total cpu time spent up to now is 118.6 secs Computing kpt #: 210 total cpu time spent up to now is 119.1 secs Computing kpt #: 211 total cpu time spent up to now is 119.5 secs Computing kpt #: 212 total cpu time spent up to now is 120.0 secs Computing kpt #: 213 total cpu time spent up to now is 120.4 secs Computing kpt #: 214 total cpu time spent up to now is 120.9 secs Computing kpt #: 215 total cpu time spent up to now is 121.3 secs Computing kpt #: 216 total cpu time spent up to now is 121.7 secs Computing kpt #: 217 total cpu time spent up to now is 122.2 secs Computing kpt #: 218 total cpu time spent up to now is 122.7 secs Computing kpt #: 219 total cpu time spent up to now is 123.1 secs Computing kpt #: 220 total cpu time spent up to now is 123.6 secs Computing kpt #: 221 total cpu time spent up to now is 124.0 secs Computing kpt #: 222 total cpu time spent up to now is 124.5 secs Computing kpt #: 223 total cpu time spent up to now is 125.0 secs Computing kpt #: 224 total cpu time spent up to now is 125.4 secs Computing kpt #: 225 total cpu time spent up to now is 126.1 secs Computing kpt #: 226 total cpu time spent up to now is 126.6 secs Computing kpt #: 227 total cpu time spent up to now is 127.0 secs Computing kpt #: 228 total cpu time spent up to now is 127.5 secs Computing kpt #: 229 total cpu time spent up to now is 127.9 secs Computing kpt #: 230 total cpu time spent up to now is 128.6 secs Computing kpt #: 231 total cpu time spent up to now is 129.5 secs Computing kpt #: 232 total cpu time spent up to now is 130.4 secs Computing kpt #: 233 total cpu time spent up to now is 131.4 secs Computing kpt #: 234 total cpu time spent up to now is 132.3 secs Computing kpt #: 235 total cpu time spent up to now is 132.8 secs Computing kpt #: 236 total cpu time spent up to now is 133.3 secs Computing kpt #: 237 total cpu time spent up to now is 133.8 secs Computing kpt #: 238 total cpu time spent up to now is 134.3 secs Computing kpt #: 239 total cpu time spent up to now is 134.8 secs Computing kpt #: 240 total cpu time spent up to now is 135.3 secs Computing kpt #: 241 total cpu time spent up to now is 135.8 secs Computing kpt #: 242 total cpu time spent up to now is 136.3 secs Computing kpt #: 243 total cpu time spent up to now is 136.8 secs Computing kpt #: 244 total cpu time spent up to now is 137.2 secs Computing kpt #: 245 total cpu time spent up to now is 137.6 secs Computing kpt #: 246 total cpu time spent up to now is 138.0 secs Computing kpt #: 247 total cpu time spent up to now is 138.4 secs Computing kpt #: 248 total cpu time spent up to now is 138.7 secs Computing kpt #: 249 total cpu time spent up to now is 139.1 secs Computing kpt #: 250 total cpu time spent up to now is 139.5 secs Computing kpt #: 251 total cpu time spent up to now is 139.8 secs Computing kpt #: 252 total cpu time spent up to now is 140.1 secs Computing kpt #: 253 total cpu time spent up to now is 140.4 secs Computing kpt #: 254 total cpu time spent up to now is 140.8 secs Computing kpt #: 255 total cpu time spent up to now is 141.1 secs Computing kpt #: 256 total cpu time spent up to now is 141.4 secs Computing kpt #: 257 total cpu time spent up to now is 141.7 secs Computing kpt #: 258 total cpu time spent up to now is 142.0 secs Computing kpt #: 259 total cpu time spent up to now is 142.4 secs Computing kpt #: 260 total cpu time spent up to now is 142.7 secs Computing kpt #: 261 total cpu time spent up to now is 143.0 secs Computing kpt #: 262 total cpu time spent up to now is 143.3 secs Computing kpt #: 263 total cpu time spent up to now is 143.7 secs Computing kpt #: 264 total cpu time spent up to now is 144.0 secs Computing kpt #: 265 total cpu time spent up to now is 144.3 secs Computing kpt #: 266 total cpu time spent up to now is 144.7 secs Computing kpt #: 267 total cpu time spent up to now is 145.1 secs Computing kpt #: 268 total cpu time spent up to now is 145.5 secs Computing kpt #: 269 total cpu time spent up to now is 145.9 secs Computing kpt #: 270 total cpu time spent up to now is 146.3 secs Computing kpt #: 271 total cpu time spent up to now is 146.7 secs Computing kpt #: 272 total cpu time spent up to now is 147.1 secs Computing kpt #: 273 total cpu time spent up to now is 147.5 secs Computing kpt #: 274 total cpu time spent up to now is 148.0 secs Computing kpt #: 275 total cpu time spent up to now is 148.4 secs Computing kpt #: 276 total cpu time spent up to now is 148.8 secs Computing kpt #: 277 total cpu time spent up to now is 149.2 secs Computing kpt #: 278 total cpu time spent up to now is 149.7 secs Computing kpt #: 279 total cpu time spent up to now is 150.1 secs Computing kpt #: 280 total cpu time spent up to now is 150.5 secs Computing kpt #: 281 total cpu time spent up to now is 151.0 secs Computing kpt #: 282 total cpu time spent up to now is 151.4 secs Computing kpt #: 283 total cpu time spent up to now is 151.9 secs Computing kpt #: 284 total cpu time spent up to now is 152.4 secs Computing kpt #: 285 total cpu time spent up to now is 152.8 secs Computing kpt #: 286 total cpu time spent up to now is 153.3 secs Computing kpt #: 287 total cpu time spent up to now is 153.7 secs Computing kpt #: 288 total cpu time spent up to now is 154.2 secs Computing kpt #: 289 total cpu time spent up to now is 154.7 secs Computing kpt #: 290 total cpu time spent up to now is 155.2 secs Computing kpt #: 291 total cpu time spent up to now is 155.7 secs Computing kpt #: 292 total cpu time spent up to now is 156.3 secs Computing kpt #: 293 total cpu time spent up to now is 156.9 secs Computing kpt #: 294 total cpu time spent up to now is 157.4 secs Computing kpt #: 295 total cpu time spent up to now is 158.0 secs Computing kpt #: 296 total cpu time spent up to now is 158.5 secs Computing kpt #: 297 total cpu time spent up to now is 159.0 secs Computing kpt #: 298 total cpu time spent up to now is 159.5 secs Computing kpt #: 299 total cpu time spent up to now is 160.0 secs Computing kpt #: 300 total cpu time spent up to now is 160.6 secs Computing kpt #: 301 total cpu time spent up to now is 161.1 secs Computing kpt #: 302 total cpu time spent up to now is 161.7 secs Computing kpt #: 303 total cpu time spent up to now is 162.3 secs Computing kpt #: 304 total cpu time spent up to now is 162.9 secs Computing kpt #: 305 total cpu time spent up to now is 163.5 secs Computing kpt #: 306 total cpu time spent up to now is 164.0 secs Computing kpt #: 307 total cpu time spent up to now is 164.6 secs Computing kpt #: 308 total cpu time spent up to now is 165.2 secs Computing kpt #: 309 total cpu time spent up to now is 165.7 secs Computing kpt #: 310 total cpu time spent up to now is 166.3 secs Computing kpt #: 311 total cpu time spent up to now is 166.8 secs Computing kpt #: 312 total cpu time spent up to now is 167.6 secs Computing kpt #: 313 total cpu time spent up to now is 168.2 secs Computing kpt #: 314 total cpu time spent up to now is 168.9 secs Computing kpt #: 315 total cpu time spent up to now is 169.6 secs Computing kpt #: 316 total cpu time spent up to now is 170.2 secs Computing kpt #: 317 total cpu time spent up to now is 170.8 secs Computing kpt #: 318 total cpu time spent up to now is 171.3 secs Computing kpt #: 319 total cpu time spent up to now is 171.8 secs Computing kpt #: 320 total cpu time spent up to now is 172.4 secs Computing kpt #: 321 total cpu time spent up to now is 172.9 secs Computing kpt #: 322 total cpu time spent up to now is 173.4 secs Computing kpt #: 323 total cpu time spent up to now is 173.9 secs Computing kpt #: 324 total cpu time spent up to now is 174.4 secs Computing kpt #: 325 total cpu time spent up to now is 174.9 secs Computing kpt #: 326 total cpu time spent up to now is 175.4 secs Computing kpt #: 327 total cpu time spent up to now is 175.9 secs Computing kpt #: 328 total cpu time spent up to now is 176.3 secs Computing kpt #: 329 total cpu time spent up to now is 176.8 secs Computing kpt #: 330 total cpu time spent up to now is 177.2 secs Computing kpt #: 331 total cpu time spent up to now is 177.7 secs Computing kpt #: 332 total cpu time spent up to now is 178.1 secs Computing kpt #: 333 total cpu time spent up to now is 178.5 secs Computing kpt #: 334 total cpu time spent up to now is 179.0 secs Computing kpt #: 335 total cpu time spent up to now is 179.4 secs Computing kpt #: 336 total cpu time spent up to now is 179.9 secs Computing kpt #: 337 total cpu time spent up to now is 180.4 secs Computing kpt #: 338 total cpu time spent up to now is 180.9 secs Computing kpt #: 339 total cpu time spent up to now is 181.4 secs Computing kpt #: 340 total cpu time spent up to now is 181.9 secs Computing kpt #: 341 total cpu time spent up to now is 182.4 secs Computing kpt #: 342 total cpu time spent up to now is 182.8 secs Computing kpt #: 343 total cpu time spent up to now is 183.3 secs Computing kpt #: 344 total cpu time spent up to now is 183.7 secs Computing kpt #: 345 total cpu time spent up to now is 184.2 secs Computing kpt #: 346 total cpu time spent up to now is 184.6 secs Computing kpt #: 347 total cpu time spent up to now is 185.1 secs Computing kpt #: 348 total cpu time spent up to now is 185.5 secs Computing kpt #: 349 total cpu time spent up to now is 185.9 secs Computing kpt #: 350 total cpu time spent up to now is 186.4 secs Computing kpt #: 351 total cpu time spent up to now is 186.8 secs Computing kpt #: 352 total cpu time spent up to now is 187.3 secs Computing kpt #: 353 total cpu time spent up to now is 187.7 secs Computing kpt #: 354 total cpu time spent up to now is 188.2 secs Computing kpt #: 355 total cpu time spent up to now is 188.6 secs Computing kpt #: 356 total cpu time spent up to now is 189.0 secs Computing kpt #: 357 total cpu time spent up to now is 189.5 secs Computing kpt #: 358 total cpu time spent up to now is 189.9 secs Computing kpt #: 359 total cpu time spent up to now is 190.4 secs Computing kpt #: 360 total cpu time spent up to now is 190.8 secs Computing kpt #: 361 total cpu time spent up to now is 191.2 secs Computing kpt #: 362 total cpu time spent up to now is 191.6 secs Computing kpt #: 363 total cpu time spent up to now is 192.1 secs Computing kpt #: 364 total cpu time spent up to now is 192.6 secs Computing kpt #: 365 total cpu time spent up to now is 193.0 secs Computing kpt #: 366 total cpu time spent up to now is 193.4 secs Computing kpt #: 367 total cpu time spent up to now is 193.9 secs Computing kpt #: 368 total cpu time spent up to now is 194.3 secs Computing kpt #: 369 total cpu time spent up to now is 194.8 secs Computing kpt #: 370 total cpu time spent up to now is 195.2 secs Computing kpt #: 371 total cpu time spent up to now is 195.7 secs Computing kpt #: 372 total cpu time spent up to now is 196.1 secs Computing kpt #: 373 total cpu time spent up to now is 196.5 secs Computing kpt #: 374 total cpu time spent up to now is 196.9 secs Computing kpt #: 375 total cpu time spent up to now is 197.3 secs Computing kpt #: 376 total cpu time spent up to now is 197.7 secs Computing kpt #: 377 total cpu time spent up to now is 198.1 secs Computing kpt #: 378 total cpu time spent up to now is 198.5 secs Computing kpt #: 379 total cpu time spent up to now is 198.9 secs Computing kpt #: 380 total cpu time spent up to now is 199.3 secs Computing kpt #: 381 total cpu time spent up to now is 199.7 secs Computing kpt #: 382 total cpu time spent up to now is 200.1 secs Computing kpt #: 383 total cpu time spent up to now is 200.4 secs Computing kpt #: 384 total cpu time spent up to now is 200.7 secs Computing kpt #: 385 total cpu time spent up to now is 201.0 secs Computing kpt #: 386 total cpu time spent up to now is 201.3 secs Computing kpt #: 387 total cpu time spent up to now is 201.7 secs Computing kpt #: 388 total cpu time spent up to now is 202.0 secs Computing kpt #: 389 total cpu time spent up to now is 202.3 secs ethr = 4.17E-11, avg # of iterations = 40.9 total cpu time spent up to now is 202.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3559 PWs) bands (ev): -71.5476 -71.5476 -38.4995 -38.4995 -38.2265 -38.2265 -38.1888 -38.1888 -11.9967 -11.9967 -10.9472 -10.9472 -0.6512 -0.6512 -0.6024 -0.6024 -0.0705 -0.0705 1.5014 1.5014 1.6194 1.6194 1.6384 1.6384 6.6919 6.6919 8.3847 8.3847 9.6914 9.6914 12.9110 12.9110 k = 0.0000 0.0128-0.0000 ( 3567 PWs) bands (ev): -71.5476 -71.5476 -38.4995 -38.4995 -38.2265 -38.2265 -38.1888 -38.1888 -11.9962 -11.9962 -10.9475 -10.9475 -0.6522 -0.6510 -0.6030 -0.6028 -0.0706 -0.0690 1.4964 1.5047 1.6141 1.6222 1.6372 1.6377 6.6958 6.6959 8.3864 8.3866 9.6941 9.6942 12.9079 12.9080 k = 0.0000 0.0256-0.0000 ( 3567 PWs) bands (ev): -71.5476 -71.5476 -38.4996 -38.4995 -38.2265 -38.2265 -38.1888 -38.1888 -11.9947 -11.9947 -10.9484 -10.9484 -0.6544 -0.6519 -0.6042 -0.6038 -0.0694 -0.0662 1.4895 1.5063 1.6056 1.6229 1.6336 1.6354 6.7076 6.7077 8.3916 8.3919 9.7025 9.7026 12.8988 12.8990 k = 0.0000 0.0385-0.0000 ( 3577 PWs) bands (ev): -71.5476 -71.5476 -38.4996 -38.4995 -38.2265 -38.2265 -38.1888 -38.1888 -11.9922 -11.9922 -10.9499 -10.9498 -0.6583 -0.6543 -0.6057 -0.6048 -0.0669 -0.0621 1.4803 1.5064 1.5936 1.6220 1.6276 1.6320 6.7271 6.7272 8.4002 8.4007 9.7164 9.7165 12.8842 12.8844 k = 0.0000 0.0513-0.0000 ( 3581 PWs) bands (ev): -71.5476 -71.5476 -38.4996 -38.4995 -38.2266 -38.2265 -38.1889 -38.1889 -11.9887 -11.9887 -10.9521 -10.9519 -0.6645 -0.6591 -0.6065 -0.6051 -0.0630 -0.0568 1.4688 1.5049 1.5781 1.6185 1.6206 1.6278 6.7541 6.7543 8.4123 8.4130 9.7358 9.7359 12.8646 12.8649 k = 0.0000 0.0641-0.0000 ( 3589 PWs) bands (ev): -71.5476 -71.5476 -38.4996 -38.4995 -38.2266 -38.2265 -38.1889 -38.1889 -11.9842 -11.9842 -10.9548 -10.9546 -0.6735 -0.6669 -0.6059 -0.6041 -0.0578 -0.0502 1.4544 1.5015 1.5593 1.6089 1.6166 1.6227 6.7884 6.7887 8.4279 8.4288 9.7605 9.7607 12.8408 12.8411 k = 0.0000 0.0769-0.0000 ( 3603 PWs) bands (ev): -71.5476 -71.5476 -38.4997 -38.4995 -38.2266 -38.2265 -38.1889 -38.1889 -11.9787 -11.9787 -10.9581 -10.9578 -0.6855 -0.6780 -0.6035 -0.6015 -0.0513 -0.0424 1.4370 1.4954 1.5385 1.5974 1.6119 1.6168 6.8297 6.8302 8.4468 8.4480 9.7906 9.7908 12.8135 12.8138 k = 0.0000 0.0897-0.0000 ( 3597 PWs) bands (ev): -71.5476 -71.5476 -38.4997 -38.4995 -38.2266 -38.2265 -38.1890 -38.1890 -11.9722 -11.9722 -10.9620 -10.9617 -0.7001 -0.6920 -0.5995 -0.5975 -0.0436 -0.0334 1.4163 1.4839 1.5186 1.5848 1.6063 1.6101 6.8776 6.8782 8.4692 8.4706 9.8257 9.8260 12.7834 12.7837 k = 0.0000 0.1026-0.0000 ( 3593 PWs) bands (ev): -71.5476 -71.5476 -38.4997 -38.4995 -38.2266 -38.2264 -38.1890 -38.1890 -11.9648 -11.9648 -10.9665 -10.9662 -0.7172 -0.7086 -0.5941 -0.5921 -0.0346 -0.0233 1.3923 1.4630 1.5039 1.5716 1.5996 1.6025 6.9318 6.9326 8.4949 8.4965 9.8658 9.8661 12.7510 12.7513 k = 0.0000 0.1154-0.0000 ( 3593 PWs) bands (ev): -71.5476 -71.5476 -38.4997 -38.4995 -38.2267 -38.2264 -38.1890 -38.1890 -11.9564 -11.9564 -10.9717 -10.9713 -0.7364 -0.7275 -0.5875 -0.5856 -0.0244 -0.0121 1.3649 1.4339 1.4934 1.5580 1.5919 1.5941 6.9918 6.9927 8.5240 8.5258 9.9106 9.9109 12.7170 12.7173 k = 0.0000 0.1282-0.0000 ( 3597 PWs) bands (ev): -71.5476 -71.5476 -38.4998 -38.4995 -38.2267 -38.2264 -38.1890 -38.1890 -11.9471 -11.9471 -10.9774 -10.9770 -0.7575 -0.7484 -0.5799 -0.5780 -0.0131 0.0002 1.3344 1.4003 1.4841 1.5441 1.5833 1.5848 7.0570 7.0582 8.5564 8.5584 9.9598 9.9601 12.6818 12.6822 k = 0.0000 0.1410-0.0000 ( 3601 PWs) bands (ev): -71.5476 -71.5476 -38.4998 -38.4995 -38.2267 -38.2265 -38.1891 -38.1891 -11.9369 -11.9369 -10.9838 -10.9834 -0.7801 -0.7709 -0.5713 -0.5695 -0.0007 0.0136 1.3010 1.3638 1.4745 1.5300 1.5737 1.5747 7.1271 7.1285 8.5920 8.5944 10.0132 10.0135 12.6460 12.6464 k = 0.0000 0.1538-0.0000 ( 3597 PWs) bands (ev): -71.5476 -71.5476 -38.4998 -38.4995 -38.2267 -38.2264 -38.1891 -38.1891 -11.9258 -11.9258 -10.9908 -10.9904 -0.8040 -0.7948 -0.5618 -0.5601 0.0128 0.0279 1.2653 1.3252 1.4643 1.5156 1.5632 1.5638 7.2014 7.2031 8.6310 8.6336 10.0703 10.0707 12.6101 12.6104 k = 0.0000 0.1667-0.0000 ( 3595 PWs) bands (ev): -71.5476 -71.5476 -38.4998 -38.4995 -38.2267 -38.2264 -38.1891 -38.1891 -11.9139 -11.9138 -10.9985 -10.9980 -0.8291 -0.8199 -0.5516 -0.5500 0.0272 0.0433 1.2275 1.2850 1.4533 1.5009 1.5519 1.5521 7.2796 7.2815 8.6732 8.6761 10.1309 10.1313 12.5742 12.5745 k = 0.0000 0.1795-0.0000 ( 3581 PWs) bands (ev): -71.5476 -71.5476 -38.4998 -38.4995 -38.2267 -38.2264 -38.1891 -38.1891 -11.9011 -11.9010 -11.0067 -11.0062 -0.8549 -0.8459 -0.5407 -0.5391 0.0426 0.0595 1.1882 1.2438 1.4414 1.4859 1.5396 1.5396 7.3610 7.3632 8.7188 8.7219 10.1943 10.1948 12.5389 12.5392 k = 0.0000 0.1923-0.0000 ( 3581 PWs) bands (ev): -71.5476 -71.5476 -38.4998 -38.4995 -38.2267 -38.2264 -38.1892 -38.1892 -11.8875 -11.8874 -11.0156 -11.0151 -0.8814 -0.8725 -0.5292 -0.5277 0.0587 0.0766 1.1477 1.2018 1.4287 1.4703 1.5263 1.5266 7.4450 7.4476 8.7676 8.7710 10.2602 10.2607 12.5044 12.5047 k = 0.0000 0.2051-0.0000 ( 3589 PWs) bands (ev): -71.5476 -71.5476 -38.4999 -38.4996 -38.2268 -38.2265 -38.1892 -38.1892 -11.8731 -11.8730 -11.0251 -11.0246 -0.9084 -0.8996 -0.5171 -0.5156 0.0757 0.0945 1.1065 1.1595 1.4150 1.4543 1.5124 1.5128 7.5312 7.5342 8.8196 8.8233 10.3279 10.3284 12.4709 12.4712 k = 0.0000 0.2179-0.0000 ( 3591 PWs) bands (ev): -71.5476 -71.5476 -38.4999 -38.4996 -38.2268 -38.2265 -38.1893 -38.1893 -11.8580 -11.8579 -11.0353 -11.0347 -0.9356 -0.9270 -0.5045 -0.5030 0.0933 0.1131 1.0649 1.1172 1.4004 1.4377 1.4978 1.4983 7.6190 7.6223 8.8749 8.8788 10.3966 10.3972 12.4387 12.4390 k = 0.0000 0.2308-0.0000 ( 3595 PWs) bands (ev): -71.5476 -71.5476 -38.4999 -38.4996 -38.2268 -38.2265 -38.1893 -38.1893 -11.8422 -11.8421 -11.0461 -11.0455 -0.9628 -0.9545 -0.4914 -0.4900 0.1114 0.1324 1.0234 1.0754 1.3849 1.4205 1.4827 1.4832 7.7080 7.7116 8.9333 8.9375 10.4657 10.4664 12.4081 12.4084 k = 0.0000 0.2436-0.0000 ( 3593 PWs) bands (ev): -71.5476 -71.5476 -38.4999 -38.4996 -38.2268 -38.2265 -38.1894 -38.1894 -11.8257 -11.8256 -11.0575 -11.0569 -0.9898 -0.9818 -0.4780 -0.4766 0.1300 0.1522 0.9823 1.0343 1.3685 1.4027 1.4670 1.4675 7.7975 7.8015 8.9950 8.9993 10.5342 10.5349 12.3792 12.3795 k = 0.0000 0.2564-0.0000 ( 3593 PWs) bands (ev): -71.5476 -71.5476 -38.5000 -38.4996 -38.2268 -38.2265 -38.1894 -38.1894 -11.8085 -11.8084 -11.0696 -11.0689 -1.0166 -1.0088 -0.4644 -0.4630 0.1490 0.1724 0.9421 0.9943 1.3513 1.3843 1.4509 1.4514 7.8872 7.8915 9.0596 9.0641 10.6011 10.6019 12.3521 12.3524 k = 0.0000 0.2692-0.0000 ( 3585 PWs) bands (ev): -71.5476 -71.5476 -38.5000 -38.4997 -38.2268 -38.2265 -38.1894 -38.1894 -11.7907 -11.7906 -11.0823 -11.0816 -1.0428 -1.0354 -0.4505 -0.4491 0.1680 0.1928 0.9030 0.9558 1.3332 1.3652 1.4346 1.4349 7.9766 7.9812 9.1270 9.1317 10.6651 10.6660 12.3269 12.3272 k = 0.0000 0.2821-0.0000 ( 3583 PWs) bands (ev): -71.5476 -71.5476 -38.5000 -38.4997 -38.2269 -38.2265 -38.1895 -38.1895 -11.7724 -11.7723 -11.0956 -11.0949 -1.0684 -1.0613 -0.4365 -0.4351 0.1870 0.2133 0.8655 0.9191 1.3142 1.3454 1.4180 1.4183 8.0652 8.0701 9.1971 9.2019 10.7251 10.7260 12.3037 12.3040 k = 0.0000 0.2949-0.0000 ( 3571 PWs) bands (ev): -71.5476 -71.5476 -38.5000 -38.4997 -38.2268 -38.2265 -38.1895 -38.1895 -11.7536 -11.7534 -11.1095 -11.1088 -1.0932 -1.0865 -0.4224 -0.4211 0.2056 0.2336 0.8300 0.8847 1.2945 1.3249 1.4014 1.4016 8.1528 8.1579 9.2695 9.2743 10.7794 10.7804 12.2826 12.2829 k = 0.0000 0.3077-0.0000 ( 3571 PWs) bands (ev): -71.5476 -71.5476 -38.5000 -38.4997 -38.2268 -38.2265 -38.1895 -38.1895 -11.7342 -11.7340 -11.1240 -11.1233 -1.1171 -1.1108 -0.4085 -0.4072 0.2237 0.2534 0.7970 0.8529 1.2740 1.3038 1.3848 1.3849 8.2390 8.2442 9.3437 9.3485 10.8265 10.8275 12.2636 12.2639 k = 0.0000 0.3205-0.0000 ( 3587 PWs) bands (ev): -71.5476 -71.5476 -38.5000 -38.4997 -38.2269 -38.2266 -38.1896 -38.1896 -11.7145 -11.7143 -11.1391 -11.1384 -1.1400 -1.1340 -0.3947 -0.3934 0.2409 0.2723 0.7669 0.8242 1.2527 1.2819 1.3685 1.3685 8.3234 8.3287 9.4194 9.4242 10.8648 10.8659 12.2465 12.2469 k = 0.0000 0.3333-0.0000 ( 3587 PWs) bands (ev): -71.5476 -71.5476 -38.5000 -38.4998 -38.2269 -38.2266 -38.1896 -38.1896 -11.6943 -11.6941 -11.1547 -11.1540 -1.1617 -1.1561 -0.3812 -0.3799 0.2569 0.2899 0.7404 0.7990 1.2307 1.2594 1.3524 1.3524 8.4058 8.4112 9.4961 9.5007 10.8928 10.8939 12.2315 12.2319 k = 0.0000 0.3462-0.0000 ( 3579 PWs) bands (ev): -71.5476 -71.5476 -38.5000 -38.4998 -38.2269 -38.2266 -38.1896 -38.1896 -11.6738 -11.6736 -11.1709 -11.1702 -1.1822 -1.1769 -0.3680 -0.3668 0.2713 0.3056 0.7181 0.7778 1.2080 1.2363 1.3369 1.3369 8.4859 8.4913 9.5730 9.5774 10.9094 10.9106 12.2184 12.2190 k = 0.0000 0.3590-0.0000 ( 3577 PWs) bands (ev): -71.5476 -71.5476 -38.5000 -38.4998 -38.2269 -38.2266 -38.1897 -38.1897 -11.6531 -11.6528 -11.1876 -11.1869 -1.2013 -1.1965 -0.3554 -0.3542 0.2838 0.3188 0.7005 0.7609 1.1848 1.2127 1.3219 1.3220 8.5633 8.5687 9.6495 9.6537 10.9142 10.9154 12.2071 12.2079 k = 0.0000 0.3718-0.0000 ( 3579 PWs) bands (ev): -71.5476 -71.5476 -38.5000 -38.4998 -38.2269 -38.2266 -38.1897 -38.1897 -11.6321 -11.6318 -11.2048 -11.2041 -1.2190 -1.2145 -0.3434 -0.3422 0.2940 0.3290 0.6884 0.7486 1.1612 1.1886 1.3078 1.3078 8.6378 8.6430 9.7247 9.7286 10.9075 10.9087 12.1975 12.1986 k = 0.0000 0.3846-0.0000 ( 3574 PWs) bands (ev): -71.5476 -71.5476 -38.5000 -38.4998 -38.2269 -38.2267 -38.1897 -38.1897 -11.6109 -11.6106 -11.2224 -11.2218 -1.2351 -1.2311 -0.3320 -0.3309 0.3018 0.3358 0.6821 0.7410 1.1373 1.1642 1.2945 1.2946 8.7089 8.7139 9.7978 9.8015 10.8905 10.8917 12.1895 12.1909 k = 0.0000 0.3974-0.0000 ( 3566 PWs) bands (ev): -71.5476 -71.5476 -38.5000 -38.4998 -38.2269 -38.2267 -38.1897 -38.1897 -11.5897 -11.5893 -11.2405 -11.2398 -1.2497 -1.2462 -0.3215 -0.3205 0.3073 0.3392 0.6814 0.7380 1.1134 1.1398 1.2823 1.2823 8.7762 8.7809 9.8679 9.8713 10.8650 10.8662 12.1830 12.1846 k = 0.0000 0.4103-0.0000 ( 3566 PWs) bands (ev): -71.5476 -71.5476 -38.5000 -38.4999 -38.2269 -38.2267 -38.1898 -38.1898 -11.5684 -11.5681 -11.2588 -11.2582 -1.2627 -1.2596 -0.3119 -0.3110 0.3107 0.3395 0.6861 0.7392 1.0896 1.1154 1.2712 1.2712 8.8389 8.8433 9.9341 9.9370 10.8333 10.8345 12.1780 12.1797 k = 0.0000 0.4231-0.0000 ( 3566 PWs) bands (ev): -71.5476 -71.5476 -38.5000 -38.4999 -38.2268 -38.2267 -38.1898 -38.1898 -11.5473 -11.5469 -11.2774 -11.2768 -1.2740 -1.2713 -0.3033 -0.3025 0.3124 0.3374 0.6951 0.7438 1.0665 1.0914 1.2613 1.2613 8.8964 8.9004 9.9952 9.9978 10.7981 10.7992 12.1743 12.1758 k = 0.0000 0.4359-0.0000 ( 3558 PWs) bands (ev): -71.5476 -71.5476 -38.5000 -38.4999 -38.2268 -38.2267 -38.1898 -38.1898 -11.5265 -11.5261 -11.2961 -11.2955 -1.2836 -1.2814 -0.2959 -0.2952 0.3129 0.3338 0.7074 0.7509 1.0445 1.0681 1.2527 1.2528 8.9477 8.9512 10.0503 10.0526 10.7619 10.7629 12.1717 12.1730 k = 0.0000 0.4487-0.0000 ( 3548 PWs) bands (ev): -71.5476 -71.5476 -38.5000 -38.4999 -38.2268 -38.2267 -38.1898 -38.1898 -11.5061 -11.5058 -11.3146 -11.3140 -1.2915 -1.2897 -0.2897 -0.2891 0.3128 0.3294 0.7218 0.7593 1.0245 1.0461 1.2456 1.2456 8.9920 8.9949 10.0983 10.1001 10.7272 10.7280 12.1699 12.1709 k = 0.0000 0.4615-0.0000 ( 3550 PWs) bands (ev): -71.5476 -71.5476 -38.5000 -38.4999 -38.2268 -38.2267 -38.1898 -38.1898 -11.4868 -11.4865 -11.3324 -11.3319 -1.2976 -1.2962 -0.2847 -0.2842 0.3126 0.3249 0.7369 0.7673 1.0075 1.0260 1.2400 1.2400 9.0280 9.0303 10.1378 10.1392 10.6965 10.6971 12.1687 12.1695 k = 0.0000 0.4744-0.0000 ( 3550 PWs) bands (ev): -71.5476 -71.5476 -38.5000 -38.4999 -38.2268 -38.2267 -38.1898 -38.1898 -11.4695 -11.4691 -11.3487 -11.3483 -1.3019 -1.3010 -0.2811 -0.2808 0.3126 0.3208 0.7514 0.7731 0.9949 1.0089 1.2359 1.2360 9.0548 9.0563 10.1677 10.1686 10.6722 10.6726 12.1680 12.1685 k = 0.0000 0.4872-0.0000 ( 3546 PWs) bands (ev): -71.5476 -71.5476 -38.4999 -38.4999 -38.2268 -38.2267 -38.1898 -38.1898 -11.4561 -11.4559 -11.3613 -11.3610 -1.3044 -1.3039 -0.2789 -0.2787 0.3134 0.3174 0.7636 0.7750 0.9884 0.9959 1.2335 1.2335 9.0714 9.0722 10.1864 10.1869 10.6565 10.6568 12.1677 12.1679 k = 0.0000 0.5000-0.0000 ( 3542 PWs) bands (ev): -71.5476 -71.5476 -38.4999 -38.4999 -38.2267 -38.2267 -38.1898 -38.1898 -11.4507 -11.4507 -11.3663 -11.3663 -1.3051 -1.3051 -0.2781 -0.2781 0.3149 0.3149 0.7718 0.7718 0.9887 0.9887 1.2327 1.2327 9.0773 9.0773 10.1930 10.1930 10.6512 10.6512 12.1677 12.1677 k = 0.0000 0.5000-0.0000 ( 3542 PWs) bands (ev): -71.5476 -71.5476 -38.4999 -38.4999 -38.2267 -38.2267 -38.1898 -38.1898 -11.4507 -11.4507 -11.3663 -11.3663 -1.3051 -1.3051 -0.2781 -0.2781 0.3149 0.3149 0.7718 0.7718 0.9887 0.9887 1.2327 1.2327 9.0773 9.0773 10.1930 10.1930 10.6512 10.6512 12.1677 12.1677 k = 0.0128 0.5000-0.0000 ( 3550 PWs) bands (ev): -71.5476 -71.5476 -38.5000 -38.4999 -38.2268 -38.2267 -38.1898 -38.1898 -11.4505 -11.4505 -11.3662 -11.3662 -1.3082 -1.3075 -0.2774 -0.2754 0.3117 0.3151 0.7714 0.7728 0.9781 0.9934 1.2308 1.2429 9.0806 9.0811 10.1896 10.1900 10.6460 10.6461 12.1700 12.1715 k = 0.0256 0.5000-0.0000 ( 3542 PWs) bands (ev): -71.5476 -71.5476 -38.5000 -38.4999 -38.2268 -38.2267 -38.1898 -38.1898 -11.4498 -11.4497 -11.3658 -11.3658 -1.3169 -1.3154 -0.2733 -0.2694 0.3054 0.3121 0.7716 0.7745 0.9632 0.9916 1.2378 1.2599 9.0911 9.0921 10.1797 10.1806 10.6307 10.6310 12.1786 12.1814 k = 0.0385 0.5000-0.0000 ( 3548 PWs) bands (ev): -71.5476 -71.5476 -38.5000 -38.4999 -38.2268 -38.2267 -38.1898 -38.1898 -11.4486 -11.4485 -11.3653 -11.3653 -1.3307 -1.3285 -0.2660 -0.2602 0.2961 0.3060 0.7724 0.7766 0.9460 0.9842 1.2527 1.2817 9.1085 9.1099 10.1639 10.1652 10.6058 10.6061 12.1928 12.1971 k = 0.0513 0.5000-0.0000 ( 3546 PWs) bands (ev): -71.5476 -71.5476 -38.5000 -38.4999 -38.2268 -38.2267 -38.1898 -38.1898 -11.4469 -11.4468 -11.3645 -11.3645 -1.3495 -1.3467 -0.2557 -0.2481 0.2840 0.2966 0.7737 0.7794 0.9281 0.9731 1.2736 1.3069 9.1327 9.1346 10.1427 10.1444 10.5718 10.5723 12.2123 12.2179 k = 0.0641 0.5000-0.0000 ( 3542 PWs) bands (ev): -71.5476 -71.5476 -38.5000 -38.4999 -38.2268 -38.2267 -38.1898 -38.1898 -11.4448 -11.4446 -11.3635 -11.3635 -1.3728 -1.3695 -0.2427 -0.2336 0.2690 0.2839 0.7756 0.7826 0.9106 0.9600 1.2987 1.3343 9.1633 9.1657 10.1170 10.1189 10.5297 10.5302 12.2361 12.2431 k = 0.0769 0.5000-0.0000 ( 3542 PWs) bands (ev): -71.5476 -71.5476 -38.5000 -38.4999 -38.2268 -38.2267 -38.1899 -38.1899 -11.4422 -11.4420 -11.3623 -11.3622 -1.4001 -1.3964 -0.2275 -0.2169 0.2513 0.2681 0.7781 0.7863 0.8942 0.9463 1.3266 1.3632 9.1998 9.2027 10.0876 10.0898 10.4803 10.4810 12.2629 12.2714 k = 0.0897 0.5000-0.0000 ( 3542 PWs) bands (ev): -71.5476 -71.5476 -38.5000 -38.4999 -38.2269 -38.2267 -38.1899 -38.1899 -11.4392 -11.4390 -11.3608 -11.3608 -1.4309 -1.4269 -0.2105 -0.1985 0.2310 0.2493 0.7810 0.7904 0.8795 0.9330 1.3562 1.3931 9.2416 9.2448 10.0559 10.0582 10.4247 10.4255 12.2906 12.3007 k = 0.1026 0.5000-0.0000 ( 3542 PWs) bands (ev): -71.5476 -71.5476 -38.5001 -38.4999 -38.2269 -38.2267 -38.1899 -38.1899 -11.4357 -11.4355 -11.3592 -11.3592 -1.4648 -1.4606 -0.1919 -0.1787 0.2083 0.2275 0.7844 0.7948 0.8666 0.9206 1.3869 1.4235 9.2874 9.2910 10.0236 10.0260 10.3638 10.3647 12.3154 12.3272 k = 0.1154 0.5000-0.0000 ( 3546 PWs) bands (ev): -71.5476 -71.5476 -38.5001 -38.4999 -38.2269 -38.2267 -38.1899 -38.1899 -11.4319 -11.4316 -11.3574 -11.3574 -1.5013 -1.4969 -0.1722 -0.1579 0.1834 0.2031 0.7882 0.7996 0.8559 0.9094 1.4182 1.4542 9.3354 9.3393 9.9929 9.9951 10.2986 10.2996 12.3279 12.3411 k = 0.1282 0.5000-0.0000 ( 3546 PWs) bands (ev): -71.5476 -71.5476 -38.5001 -38.4999 -38.2269 -38.2267 -38.1900 -38.1900 -11.4277 -11.4274 -11.3555 -11.3555 -1.5400 -1.5355 -0.1516 -0.1365 0.1567 0.1764 0.7924 0.8045 0.8473 0.8996 1.4497 1.4850 9.3830 9.3869 9.9670 9.9690 10.2300 10.2310 12.3114 12.3232 k = 0.1410 0.5000-0.0000 ( 3550 PWs) bands (ev): -71.5476 -71.5476 -38.5001 -38.4999 -38.2269 -38.2267 -38.1900 -38.1900 -11.4231 -11.4228 -11.3533 -11.3533 -1.5805 -1.5760 -0.1305 -0.1147 0.1284 0.1478 0.7970 0.8094 0.8408 0.8912 1.4812 1.5156 9.4256 9.4294 9.9508 9.9521 10.1587 10.1598 12.2581 12.2661 k = 0.1538 0.5000-0.0000 ( 3554 PWs) bands (ev): -71.5476 -71.5476 -38.5002 -38.4999 -38.2270 -38.2267 -38.1901 -38.1901 -11.4182 -11.4179 -11.3511 -11.3510 -1.6223 -1.6179 -0.1094 -0.0930 0.0992 0.1179 0.8018 0.8140 0.8365 0.8843 1.5126 1.5460 9.4573 9.4607 9.9503 9.9506 10.0856 10.0867 12.1824 12.1873 k = 0.1667 0.5000-0.0000 ( 3550 PWs) bands (ev): -71.5476 -71.5476 -38.5002 -38.4999 -38.2270 -38.2267 -38.1901 -38.1901 -11.4130 -11.4127 -11.3487 -11.3486 -1.6653 -1.6609 -0.0886 -0.0722 0.0698 0.0872 0.8068 0.8178 0.8349 0.8787 1.5436 1.5759 9.4726 9.4751 9.9698 9.9714 10.0118 10.0123 12.0978 12.1007 k = 0.1795 0.5000-0.0000 ( 3562 PWs) bands (ev): -71.5476 -71.5476 -38.5002 -38.5000 -38.2270 -38.2267 -38.1902 -38.1902 -11.4076 -11.4072 -11.3461 -11.3461 -1.7089 -1.7046 -0.0693 -0.0542 0.0422 0.0570 0.8119 0.8201 0.8361 0.8745 1.5741 1.6054 9.4694 9.4710 9.9353 9.9371 10.0141 10.0158 12.0108 12.0123 k = 0.1923 0.5000-0.0000 ( 3562 PWs) bands (ev): -71.5476 -71.5476 -38.5003 -38.5000 -38.2270 -38.2267 -38.1902 -38.1902 -11.4019 -11.4015 -11.3435 -11.3435 -1.7530 -1.7488 -0.0547 -0.0454 0.0231 0.0308 0.8172 0.8214 0.8396 0.8714 1.6041 1.6342 9.4505 9.4514 9.8603 9.8620 10.0767 10.0800 11.9244 11.9248 k = 0.2051 0.5000-0.0000 ( 3554 PWs) bands (ev): -71.5476 -71.5476 -38.5003 -38.5000 -38.2270 -38.2267 -38.1902 -38.1902 -11.3960 -11.3956 -11.3408 -11.3408 -1.7973 -1.7932 -0.0570 -0.0542 0.0181 0.0238 0.8225 0.8226 0.8443 0.8693 1.6335 1.6624 9.4207 9.4210 9.7855 9.7871 10.1545 10.1589 11.8402 11.8408 k = 0.2179 0.5000-0.0000 ( 3558 PWs) bands (ev): -71.5476 -71.5476 -38.5003 -38.5000 -38.2271 -38.2267 -38.1903 -38.1903 -11.3900 -11.3896 -11.3380 -11.3380 -1.8415 -1.8375 -0.0831 -0.0737 0.0251 0.0386 0.8242 0.8277 0.8495 0.8682 1.6621 1.6899 9.3839 9.3840 9.7114 9.7130 10.2423 10.2476 11.7601 11.7615 k = 0.2308 0.5000-0.0000 ( 3552 PWs) bands (ev): -71.5476 -71.5476 -38.5003 -38.5000 -38.2271 -38.2267 -38.1903 -38.1903 -11.3838 -11.3834 -11.3352 -11.3351 -1.8853 -1.8815 -0.1139 -0.1029 0.0415 0.0577 0.8264 0.8330 0.8548 0.8679 1.6900 1.7166 9.3432 9.3433 9.6384 9.6400 10.3358 10.3419 11.6865 11.6886 k = 0.2436 0.5000-0.0000 ( 3554 PWs) bands (ev): -71.5476 -71.5476 -38.5003 -38.5000 -38.2271 -38.2268 -38.1903 -38.1903 -11.3776 -11.3772 -11.3323 -11.3323 -1.9286 -1.9249 -0.1460 -0.1349 0.0608 0.0780 0.8290 0.8381 0.8600 0.8683 1.7170 1.7425 9.3004 9.3006 9.5668 9.5685 10.4310 10.4378 11.6216 11.6246 k = 0.2564 0.5000-0.0000 ( 3554 PWs) bands (ev): -71.5476 -71.5476 -38.5004 -38.5000 -38.2271 -38.2268 -38.1904 -38.1904 -11.3713 -11.3709 -11.3294 -11.3294 -1.9710 -1.9675 -0.1782 -0.1676 0.0808 0.0985 0.8321 0.8431 0.8651 0.8694 1.7432 1.7674 9.2568 9.2571 9.4970 9.4987 10.5234 10.5309 11.5692 11.5730 k = 0.2692 0.5000-0.0000 ( 3548 PWs) bands (ev): -71.5475 -71.5475 -38.5004 -38.5001 -38.2271 -38.2268 -38.1904 -38.1904 -11.3651 -11.3647 -11.3266 -11.3265 -2.0125 -2.0092 -0.2101 -0.2001 0.1009 0.1187 0.8356 0.8478 0.8700 0.8709 1.7684 1.7914 9.2134 9.2137 9.4293 9.4310 10.6073 10.6153 11.5344 11.5389 k = 0.2821 0.5000-0.0000 ( 3548 PWs) bands (ev): -71.5475 -71.5475 -38.5004 -38.5001 -38.2271 -38.2268 -38.1905 -38.1905 -11.3588 -11.3584 -11.3237 -11.3237 -2.0528 -2.0497 -0.2414 -0.2321 0.1208 0.1385 0.8395 0.8524 0.8728 0.8746 1.7926 1.8144 9.1707 9.1709 9.3640 9.3656 10.6755 10.6838 11.5239 11.5287 k = 0.2949 0.5000-0.0000 ( 3548 PWs) bands (ev): -71.5475 -71.5475 -38.5004 -38.5001 -38.2271 -38.2268 -38.1905 -38.1905 -11.3527 -11.3523 -11.3209 -11.3209 -2.0918 -2.0888 -0.2718 -0.2632 0.1402 0.1577 0.8435 0.8568 0.8750 0.8788 1.8158 1.8364 9.1292 9.1293 9.3012 9.3028 10.7213 10.7294 11.5440 11.5488 k = 0.3077 0.5000-0.0000 ( 3554 PWs) bands (ev): -71.5475 -71.5475 -38.5004 -38.5001 -38.2271 -38.2268 -38.1906 -38.1906 -11.3466 -11.3463 -11.3181 -11.3181 -2.1292 -2.1264 -0.3012 -0.2932 0.1591 0.1763 0.8477 0.8609 0.8775 0.8828 1.8379 1.8573 9.0891 9.0892 9.2411 9.2427 10.7419 10.7493 11.5973 11.6016 k = 0.3205 0.5000-0.0000 ( 3554 PWs) bands (ev): -71.5475 -71.5475 -38.5004 -38.5002 -38.2271 -38.2268 -38.1906 -38.1906 -11.3408 -11.3404 -11.3155 -11.3154 -2.1650 -2.1624 -0.3293 -0.3220 0.1774 0.1941 0.8521 0.8648 0.8800 0.8863 1.8588 1.8770 9.0508 9.0509 9.1841 9.1856 10.7400 10.7464 11.6801 11.6836 k = 0.3333 0.5000-0.0000 ( 3554 PWs) bands (ev): -71.5475 -71.5475 -38.5004 -38.5002 -38.2271 -38.2269 -38.1906 -38.1906 -11.3351 -11.3347 -11.3129 -11.3129 -2.1989 -2.1965 -0.3560 -0.3493 0.1949 0.2110 0.8564 0.8685 0.8826 0.8895 1.8786 1.8956 9.0146 9.0146 9.1302 9.1317 10.7221 10.7274 11.7852 11.7880 k = 0.3462 0.5000-0.0000 ( 3550 PWs) bands (ev): -71.5475 -71.5475 -38.5004 -38.5002 -38.2271 -38.2269 -38.1907 -38.1907 -11.3297 -11.3293 -11.3104 -11.3104 -2.2309 -2.2286 -0.3811 -0.3751 0.2117 0.2271 0.8608 0.8720 0.8851 0.8923 1.8972 1.9129 8.9805 8.9805 9.0796 9.0810 10.6942 10.6986 11.9055 11.9077 k = 0.3590 0.5000-0.0000 ( 3562 PWs) bands (ev): -71.5475 -71.5475 -38.5005 -38.5002 -38.2272 -38.2269 -38.1907 -38.1907 -11.3245 -11.3242 -11.3081 -11.3081 -2.2608 -2.2587 -0.4047 -0.3993 0.2275 0.2421 0.8650 0.8753 0.8875 0.8947 1.9146 1.9290 8.9486 8.9487 9.0325 9.0339 10.6613 10.6649 12.0352 12.0370 k = 0.3718 0.5000-0.0000 ( 3562 PWs) bands (ev): -71.5475 -71.5475 -38.5005 -38.5003 -38.2272 -38.2269 -38.1908 -38.1908 -11.3197 -11.3194 -11.3059 -11.3059 -2.2884 -2.2866 -0.4265 -0.4217 0.2424 0.2561 0.8692 0.8784 0.8897 0.8967 1.9306 1.9438 8.9193 8.9193 8.9890 8.9903 10.6264 10.6294 12.1699 12.1715 k = 0.3846 0.5000-0.0000 ( 3562 PWs) bands (ev): -71.5475 -71.5475 -38.5005 -38.5003 -38.2272 -38.2269 -38.1908 -38.1908 -11.3152 -11.3149 -11.3039 -11.3039 -2.3138 -2.3121 -0.4465 -0.4423 0.2562 0.2690 0.8731 0.8812 0.8917 0.8984 1.9454 1.9572 8.8925 8.8926 8.9493 8.9505 10.5917 10.5941 12.3058 12.3073 k = 0.3974 0.5000-0.0000 ( 3562 PWs) bands (ev): -71.5475 -71.5475 -38.5005 -38.5003 -38.2272 -38.2270 -38.1908 -38.1908 -11.3111 -11.3109 -11.3020 -11.3020 -2.3367 -2.3352 -0.4646 -0.4609 0.2690 0.2806 0.8769 0.8839 0.8935 0.8996 1.9587 1.9693 8.8683 8.8684 8.9135 8.9145 10.5585 10.5605 12.4393 12.4408 k = 0.4103 0.5000-0.0000 ( 3556 PWs) bands (ev): -71.5475 -71.5475 -38.5005 -38.5003 -38.2271 -38.2270 -38.1908 -38.1908 -11.3074 -11.3072 -11.3004 -11.3003 -2.3572 -2.3558 -0.4807 -0.4775 0.2805 0.2909 0.8804 0.8864 0.8951 0.9005 1.9707 1.9800 8.8469 8.8470 8.8816 8.8826 10.5279 10.5295 12.5130 12.5137 k = 0.4231 0.5000-0.0000 ( 3552 PWs) bands (ev): -71.5475 -71.5475 -38.5005 -38.5003 -38.2271 -38.2270 -38.1909 -38.1909 -11.3042 -11.3040 -11.2989 -11.2989 -2.3750 -2.3739 -0.4948 -0.4920 0.2908 0.2999 0.8837 0.8886 0.8963 0.9011 1.9812 1.9892 8.8282 8.8283 8.8538 8.8547 10.5004 10.5017 12.4852 12.4858 k = 0.4359 0.5000-0.0000 ( 3552 PWs) bands (ev): -71.5475 -71.5475 -38.5005 -38.5003 -38.2271 -38.2270 -38.1909 -38.1909 -11.3014 -11.3012 -11.2976 -11.2976 -2.3902 -2.3893 -0.5068 -0.5045 0.2998 0.3075 0.8866 0.8907 0.8972 0.9013 1.9903 1.9969 8.8123 8.8124 8.8302 8.8309 10.4765 10.4776 12.4616 12.4621 k = 0.4487 0.5000-0.0000 ( 3548 PWs) bands (ev): -71.5475 -71.5475 -38.5005 -38.5004 -38.2271 -38.2270 -38.1909 -38.1909 -11.2991 -11.2990 -11.2965 -11.2965 -2.4027 -2.4020 -0.5166 -0.5148 0.3073 0.3136 0.8892 0.8925 0.8979 0.9013 1.9978 2.0032 8.7992 8.7993 8.8108 8.8114 10.4566 10.4574 12.4422 12.4426 k = 0.4615 0.5000-0.0000 ( 3548 PWs) bands (ev): -71.5475 -71.5475 -38.5004 -38.5004 -38.2271 -38.2270 -38.1909 -38.1909 -11.2974 -11.2973 -11.2956 -11.2956 -2.4125 -2.4119 -0.5242 -0.5228 0.3135 0.3183 0.8915 0.8942 0.8982 0.9010 2.0039 2.0079 8.7889 8.7890 8.7958 8.7962 10.4409 10.4415 12.4271 12.4274 k = 0.4744 0.5000-0.0000 ( 3552 PWs) bands (ev): -71.5475 -71.5475 -38.5004 -38.5004 -38.2271 -38.2270 -38.1909 -38.1909 -11.2962 -11.2961 -11.2949 -11.2949 -2.4194 -2.4191 -0.5296 -0.5287 0.3181 0.3214 0.8934 0.8954 0.8983 0.9006 2.0084 2.0111 8.7814 8.7815 8.7852 8.7855 10.4296 10.4300 12.4164 12.4165 k = 0.4872 0.5000-0.0000 ( 3548 PWs) bands (ev): -71.5475 -71.5475 -38.5004 -38.5004 -38.2271 -38.2270 -38.1909 -38.1909 -11.2955 -11.2955 -11.2944 -11.2944 -2.4236 -2.4234 -0.5327 -0.5323 0.3213 0.3229 0.8948 0.8961 0.8985 0.8999 2.0114 2.0128 8.7766 8.7766 8.7792 8.7793 10.4229 10.4230 12.4099 12.4100 k = 0.5000 0.5000-0.0000 ( 3548 PWs) bands (ev): -71.5475 -71.5475 -38.5004 -38.5004 -38.2271 -38.2271 -38.1909 -38.1909 -11.2953 -11.2953 -11.2942 -11.2942 -2.4249 -2.4249 -0.5337 -0.5337 0.3229 0.3229 0.8958 0.8958 0.8991 0.8991 2.0129 2.0129 8.7748 8.7748 8.7774 8.7774 10.4206 10.4206 12.4078 12.4078 k = 0.5000 0.5000-0.0000 ( 3548 PWs) bands (ev): -71.5475 -71.5475 -38.5004 -38.5004 -38.2271 -38.2271 -38.1909 -38.1909 -11.2953 -11.2953 -11.2942 -11.2942 -2.4249 -2.4249 -0.5337 -0.5337 0.3229 0.3229 0.8958 0.8958 0.8991 0.8991 2.0129 2.0129 8.7748 8.7748 8.7774 8.7774 10.4206 10.4206 12.4078 12.4078 k = 0.4909 0.4909-0.0000 ( 3548 PWs) bands (ev): -71.5475 -71.5475 -38.5004 -38.5004 -38.2271 -38.2270 -38.1909 -38.1909 -11.2957 -11.2957 -11.2942 -11.2942 -2.4236 -2.4234 -0.5327 -0.5323 0.3213 0.3229 0.8950 0.8958 0.8983 0.9003 2.0114 2.0128 8.7762 8.7763 8.7796 8.7797 10.4229 10.4231 12.4099 12.4100 k = 0.4818 0.4818-0.0000 ( 3554 PWs) bands (ev): -71.5475 -71.5475 -38.5004 -38.5004 -38.2271 -38.2270 -38.1909 -38.1909 -11.2975 -11.2974 -11.2936 -11.2936 -2.4194 -2.4190 -0.5296 -0.5287 0.3181 0.3213 0.8935 0.8935 0.8975 0.9032 2.0084 2.0111 8.7786 8.7788 8.7881 8.7883 10.4297 10.4301 12.4164 12.4166 k = 0.4727 0.4727-0.0000 ( 3542 PWs) bands (ev): -71.5475 -71.5475 -38.5004 -38.5004 -38.2271 -38.2270 -38.1909 -38.1909 -11.3007 -11.3006 -11.2924 -11.2923 -2.4124 -2.4118 -0.5241 -0.5228 0.3135 0.3182 0.8893 0.8898 0.8984 0.9074 2.0039 2.0079 8.7822 8.7823 8.8027 8.8029 10.4410 10.4416 12.4273 12.4276 k = 0.4636 0.4636-0.0000 ( 3550 PWs) bands (ev): -71.5475 -71.5475 -38.5005 -38.5004 -38.2271 -38.2270 -38.1909 -38.1909 -11.3052 -11.3051 -11.2905 -11.2904 -2.4026 -2.4018 -0.5164 -0.5146 0.3073 0.3134 0.8833 0.8841 0.9008 0.9127 1.9979 2.0033 8.7870 8.7871 8.8230 8.8234 10.4566 10.4574 12.4426 12.4430 k = 0.4545 0.4545-0.0000 ( 3554 PWs) bands (ev): -71.5475 -71.5475 -38.5005 -38.5003 -38.2271 -38.2270 -38.1909 -38.1909 -11.3109 -11.3109 -11.2882 -11.2880 -2.3900 -2.3890 -0.5065 -0.5042 0.2997 0.3071 0.8756 0.8767 0.9044 0.9192 1.9906 1.9973 8.7931 8.7933 8.8489 8.8494 10.4764 10.4774 12.4623 12.4628 k = 0.4455 0.4455-0.0000 ( 3554 PWs) bands (ev): -71.5475 -71.5475 -38.5005 -38.5003 -38.2271 -38.2270 -38.1909 -38.1909 -11.3179 -11.3179 -11.2853 -11.2850 -2.3747 -2.3735 -0.4943 -0.4915 0.2906 0.2993 0.8663 0.8676 0.9091 0.9266 1.9819 1.9900 8.8004 8.8007 8.8801 8.8806 10.5000 10.5013 12.4865 12.4870 k = 0.4364 0.4364-0.0000 ( 3556 PWs) bands (ev): -71.5475 -71.5475 -38.5005 -38.5003 -38.2271 -38.2270 -38.1908 -38.1908 -11.3261 -11.3261 -11.2819 -11.2816 -2.3567 -2.3554 -0.4799 -0.4766 0.2802 0.2899 0.8555 0.8571 0.9150 0.9349 1.9720 1.9815 8.8090 8.8093 8.9163 8.9168 10.5272 10.5286 12.5152 12.5157 k = 0.4273 0.4273-0.0000 ( 3558 PWs) bands (ev): -71.5475 -71.5475 -38.5005 -38.5003 -38.2272 -38.2270 -38.1908 -38.1908 -11.3355 -11.3355 -11.2780 -11.2777 -2.3361 -2.3345 -0.4633 -0.4594 0.2684 0.2790 0.8431 0.8450 0.9218 0.9442 1.9611 1.9720 8.8187 8.8190 8.9570 8.9577 10.5573 10.5590 12.5462 12.5482 k = 0.4182 0.4182-0.0000 ( 3560 PWs) bands (ev): -71.5475 -71.5475 -38.5005 -38.5003 -38.2272 -38.2269 -38.1908 -38.1908 -11.3460 -11.3459 -11.2736 -11.2732 -2.3130 -2.3112 -0.4445 -0.4401 0.2554 0.2666 0.8293 0.8315 0.9297 0.9543 1.9492 1.9615 8.8293 8.8297 9.0019 9.0027 10.5900 10.5920 12.4595 12.4629 k = 0.4091 0.4091-0.0000 ( 3560 PWs) bands (ev): -71.5475 -71.5475 -38.5005 -38.5002 -38.2272 -38.2269 -38.1908 -38.1908 -11.3575 -11.3575 -11.2687 -11.2683 -2.2873 -2.2854 -0.4236 -0.4186 0.2410 0.2529 0.8142 0.8167 0.9385 0.9652 1.9366 1.9503 8.8408 8.8412 9.0505 9.0514 10.6246 10.6269 12.3609 12.3645 k = 0.4000 0.4000-0.0000 ( 3550 PWs) bands (ev): -71.5475 -71.5475 -38.5005 -38.5002 -38.2271 -38.2269 -38.1907 -38.1907 -11.3701 -11.3700 -11.2633 -11.2629 -2.2593 -2.2571 -0.4005 -0.3949 0.2255 0.2378 0.7978 0.8006 0.9482 0.9768 1.9232 1.9384 8.8528 8.8533 9.1021 9.1031 10.6602 10.6629 12.2622 12.2661 k = 0.3909 0.3909-0.0000 ( 3546 PWs) bands (ev): -71.5475 -71.5475 -38.5004 -38.5002 -38.2271 -38.2268 -38.1907 -38.1907 -11.3836 -11.3836 -11.2575 -11.2571 -2.2290 -2.2266 -0.3754 -0.3691 0.2088 0.2214 0.7802 0.7834 0.9588 0.9892 1.9094 1.9260 8.8651 8.8656 9.1560 9.1571 10.6960 10.6991 12.1651 12.1693 k = 0.3818 0.3818-0.0000 ( 3554 PWs) bands (ev): -71.5475 -71.5475 -38.5005 -38.5002 -38.2272 -38.2268 -38.1906 -38.1906 -11.3980 -11.3980 -11.2513 -11.2509 -2.1966 -2.1939 -0.3484 -0.3413 0.1910 0.2037 0.7615 0.7652 0.9701 1.0022 1.8951 1.9132 8.8772 8.8778 9.2114 9.2126 10.7307 10.7342 12.0717 12.0763 k = 0.3727 0.3727-0.0000 ( 3546 PWs) bands (ev): -71.5475 -71.5475 -38.5004 -38.5001 -38.2271 -38.2268 -38.1906 -38.1906 -11.4133 -11.4133 -11.2447 -11.2442 -2.1620 -2.1591 -0.3193 -0.3114 0.1721 0.1849 0.7419 0.7460 0.9821 1.0158 1.8806 1.9001 8.8888 8.8894 9.2674 9.2688 10.7629 10.7669 11.9842 11.9893 k = 0.3636 0.3636-0.0000 ( 3547 PWs) bands (ev): -71.5475 -71.5475 -38.5004 -38.5001 -38.2271 -38.2268 -38.1905 -38.1905 -11.4293 -11.4293 -11.2377 -11.2371 -2.1254 -2.1224 -0.2884 -0.2796 0.1522 0.1650 0.7214 0.7261 0.9948 1.0300 1.8660 1.8870 8.8993 8.8999 9.3229 9.3244 10.7908 10.7952 11.9052 11.9107 k = 0.3545 0.3545-0.0000 ( 3547 PWs) bands (ev): -71.5475 -71.5475 -38.5004 -38.5001 -38.2271 -38.2268 -38.1905 -38.1905 -11.4461 -11.4460 -11.2302 -11.2297 -2.0870 -2.0837 -0.2557 -0.2460 0.1315 0.1442 0.7001 0.7055 1.0082 1.0447 1.8514 1.8738 8.9079 8.9085 9.3767 9.3782 10.8122 10.8171 11.8374 11.8433 k = 0.3455 0.3455-0.0000 ( 3555 PWs) bands (ev): -71.5476 -71.5476 -38.5004 -38.5000 -38.2271 -38.2268 -38.1904 -38.1904 -11.4635 -11.4634 -11.2225 -11.2219 -2.0469 -2.0433 -0.2215 -0.2106 0.1099 0.1224 0.6783 0.6844 1.0221 1.0599 1.8369 1.8608 8.9139 8.9145 9.4273 9.4289 10.8252 10.8304 11.7837 11.7900 k = 0.3364 0.3364-0.0000 ( 3559 PWs) bands (ev): -71.5476 -71.5476 -38.5004 -38.5000 -38.2271 -38.2267 -38.1904 -38.1904 -11.4815 -11.4814 -11.2144 -11.2138 -2.0052 -2.0013 -0.1859 -0.1737 0.0877 0.1000 0.6560 0.6630 1.0365 1.0755 1.8226 1.8480 8.9164 8.9171 9.4733 9.4750 10.8282 10.8337 11.7465 11.7530 k = 0.3273 0.3273-0.0000 ( 3563 PWs) bands (ev): -71.5476 -71.5476 -38.5004 -38.5000 -38.2271 -38.2267 -38.1904 -38.1903 -11.4999 -11.4999 -11.2060 -11.2054 -1.9619 -1.9579 -0.1493 -0.1357 0.0651 0.0771 0.6335 0.6415 1.0514 1.0916 1.8086 1.8354 8.9144 8.9151 9.5131 9.5148 10.8209 10.8264 11.7270 11.7335 k = 0.3182 0.3182-0.0000 ( 3567 PWs) bands (ev): -71.5476 -71.5476 -38.5004 -38.5000 -38.2271 -38.2267 -38.1903 -38.1903 -11.5189 -11.5188 -11.1973 -11.1967 -1.9174 -1.9130 -0.1124 -0.0973 0.0430 0.0545 0.6109 0.6201 1.0668 1.1080 1.7950 1.8233 8.9070 8.9076 9.5452 9.5469 10.8045 10.8098 11.7247 11.7309 k = 0.3091 0.3091-0.0000 ( 3563 PWs) bands (ev): -71.5476 -71.5476 -38.5004 -38.4999 -38.2271 -38.2267 -38.1902 -38.1902 -11.5381 -11.5381 -11.1884 -11.1877 -1.8716 -1.8670 -0.0773 -0.0614 0.0239 0.0339 0.5885 0.5993 1.0825 1.1248 1.7818 1.8115 8.8929 8.8936 9.5682 9.5698 10.7815 10.7864 11.7375 11.7434 k = 0.3000 0.3000-0.0000 ( 3565 PWs) bands (ev): -71.5476 -71.5476 -38.5003 -38.4999 -38.2271 -38.2267 -38.1902 -38.1902 -11.5577 -11.5577 -11.1792 -11.1786 -1.8247 -1.8198 -0.0513 -0.0413 0.0210 0.0224 0.5666 0.5793 1.0985 1.1418 1.7691 1.8003 8.8714 8.8721 9.5809 9.5824 10.7552 10.7597 11.7628 11.7682 k = 0.2909 0.2909-0.0000 ( 3565 PWs) bands (ev): -71.5476 -71.5476 -38.5003 -38.4999 -38.2271 -38.2266 -38.1901 -38.1901 -11.5775 -11.5775 -11.1699 -11.1692 -1.7769 -1.7717 -0.0516 -0.0505 0.0357 0.0484 0.5459 0.5608 1.1149 1.1591 1.7569 1.7895 8.8416 8.8423 9.5829 9.5841 10.7284 10.7325 11.7974 11.8024 k = 0.2818 0.2818-0.0000 ( 3575 PWs) bands (ev): -71.5476 -71.5476 -38.5003 -38.4999 -38.2271 -38.2266 -38.1901 -38.1901 -11.5975 -11.5975 -11.1603 -11.1596 -1.7283 -1.7229 -0.0736 -0.0688 0.0668 0.0870 0.5268 0.5446 1.1314 1.1766 1.7453 1.7793 8.8031 8.8037 9.5739 9.5749 10.7036 10.7072 11.8387 11.8432 k = 0.2727 0.2727-0.0000 ( 3575 PWs) bands (ev): -71.5476 -71.5476 -38.5003 -38.4998 -38.2271 -38.2266 -38.1900 -38.1900 -11.6175 -11.6175 -11.1506 -11.1500 -1.6791 -1.6733 -0.0986 -0.0928 0.1014 0.1268 0.5107 0.5318 1.1482 1.1942 1.7342 1.7697 8.7557 8.7563 9.5546 9.5552 10.6820 10.6852 11.8843 11.8883 k = 0.2636 0.2636-0.0000 ( 3577 PWs) bands (ev): -71.5476 -71.5476 -38.5003 -38.4998 -38.2271 -38.2266 -38.1900 -38.1900 -11.6376 -11.6376 -11.1409 -11.1402 -1.6293 -1.6233 -0.1246 -0.1186 0.1342 0.1643 0.4992 0.5239 1.1651 1.2119 1.7238 1.7606 8.6995 8.7001 9.5257 9.5260 10.6641 10.6670 11.9320 11.9356 k = 0.2545 0.2545-0.0000 ( 3569 PWs) bands (ev): -71.5476 -71.5476 -38.5002 -38.4998 -38.2270 -38.2266 -38.1899 -38.1899 -11.6576 -11.6576 -11.1310 -11.1303 -1.5792 -1.5729 -0.1511 -0.1452 0.1623 0.1966 0.4949 0.5231 1.1820 1.2297 1.7139 1.7521 8.6352 8.6358 9.4885 9.4885 10.6496 10.6521 11.9797 11.9828 k = 0.2455 0.2455-0.0000 ( 3573 PWs) bands (ev): -71.5476 -71.5476 -38.5002 -38.4998 -38.2270 -38.2266 -38.1898 -38.1898 -11.6775 -11.6775 -11.1211 -11.1204 -1.5289 -1.5223 -0.1778 -0.1721 0.1830 0.2202 0.5009 0.5313 1.1990 1.2475 1.7046 1.7441 8.5634 8.5640 9.4440 9.4444 10.6373 10.6396 12.0248 12.0274 k = 0.2364 0.2364-0.0000 ( 3577 PWs) bands (ev): -71.5476 -71.5476 -38.5002 -38.4997 -38.2270 -38.2265 -38.1898 -38.1898 -11.6973 -11.6973 -11.1112 -11.1105 -1.4786 -1.4717 -0.2045 -0.1992 0.1951 0.2327 0.5195 0.5499 1.2161 1.2653 1.6958 1.7367 8.4852 8.4857 9.3941 9.3947 10.6259 10.6279 12.0644 12.0666 k = 0.2273 0.2273-0.0000 ( 3577 PWs) bands (ev): -71.5476 -71.5476 -38.5001 -38.4997 -38.2270 -38.2265 -38.1897 -38.1897 -11.7168 -11.7168 -11.1012 -11.1005 -1.4283 -1.4211 -0.2311 -0.2262 0.1986 0.2345 0.5503 0.5785 1.2330 1.2830 1.6877 1.7298 8.4014 8.4019 9.3400 9.3409 10.6136 10.6153 12.0957 12.0974 k = 0.2182 0.2182-0.0000 ( 3589 PWs) bands (ev): -71.5476 -71.5476 -38.5001 -38.4997 -38.2270 -38.2265 -38.1897 -38.1897 -11.7360 -11.7360 -11.0914 -11.0907 -1.3783 -1.3708 -0.2576 -0.2529 0.1949 0.2279 0.5907 0.6156 1.2499 1.3006 1.6800 1.7234 8.3133 8.3137 9.2829 9.2841 10.5984 10.6000 12.1171 12.1184 k = 0.2091 0.2091-0.0000 ( 3585 PWs) bands (ev): -71.5476 -71.5476 -38.5001 -38.4997 -38.2270 -38.2265 -38.1896 -38.1896 -11.7549 -11.7549 -11.0816 -11.0809 -1.3286 -1.3209 -0.2836 -0.2794 0.1859 0.2160 0.6378 0.6592 1.2667 1.3181 1.6729 1.7175 8.2217 8.2221 9.2240 9.2254 10.5790 10.5804 12.1306 12.1316 k = 0.2000 0.2000-0.0000 ( 3589 PWs) bands (ev): -71.5476 -71.5476 -38.5001 -38.4997 -38.2269 -38.2265 -38.1896 -38.1896 -11.7734 -11.7733 -11.0719 -11.0713 -1.2796 -1.2716 -0.3093 -0.3054 0.1734 0.2007 0.6893 0.7075 1.2833 1.3353 1.6662 1.7120 8.1276 8.1280 9.1641 9.1657 10.5539 10.5552 12.1408 12.1417 k = 0.1909 0.1909-0.0000 ( 3589 PWs) bands (ev): -71.5476 -71.5476 -38.5001 -38.4997 -38.2269 -38.2265 -38.1895 -38.1895 -11.7914 -11.7913 -11.0624 -11.0618 -1.2312 -1.2229 -0.3344 -0.3308 0.1586 0.1836 0.7436 0.7590 1.2998 1.3522 1.6600 1.7069 8.0318 8.0323 9.1040 9.1057 10.5227 10.5238 12.1530 12.1539 k = 0.1818 0.1818-0.0000 ( 3583 PWs) bands (ev): -71.5476 -71.5476 -38.5000 -38.4996 -38.2269 -38.2265 -38.1894 -38.1894 -11.8089 -11.8089 -11.0531 -11.0524 -1.1837 -1.1752 -0.3588 -0.3556 0.1424 0.1655 0.7997 0.8128 1.3160 1.3689 1.6542 1.7022 7.9353 7.9358 9.0444 9.0462 10.4850 10.4860 12.1706 12.1714 k = 0.1727 0.1727-0.0000 ( 3581 PWs) bands (ev): -71.5476 -71.5476 -38.5000 -38.4996 -38.2269 -38.2265 -38.1894 -38.1894 -11.8258 -11.8258 -11.0440 -11.0433 -1.1372 -1.1284 -0.3826 -0.3798 0.1255 0.1470 0.8569 0.8678 1.3319 1.3853 1.6488 1.6978 7.8386 7.8391 8.9858 8.9877 10.4415 10.4424 12.1952 12.1962 k = 0.1636 0.1636-0.0000 ( 3581 PWs) bands (ev): -71.5476 -71.5476 -38.5000 -38.4996 -38.2268 -38.2264 -38.1893 -38.1893 -11.8422 -11.8422 -11.0351 -11.0345 -1.0918 -1.0828 -0.4056 -0.4031 0.1083 0.1284 0.9146 0.9236 1.3477 1.4012 1.6438 1.6937 7.7426 7.7430 8.9287 8.9306 10.3930 10.3938 12.2273 12.2282 k = 0.1545 0.1545-0.0000 ( 3581 PWs) bands (ev): -71.5476 -71.5476 -38.4999 -38.4996 -38.2268 -38.2264 -38.1893 -38.1893 -11.8579 -11.8579 -11.0265 -11.0259 -1.0478 -1.0386 -0.4277 -0.4255 0.0912 0.1101 0.9722 0.9796 1.3631 1.4168 1.6391 1.6899 7.6477 7.6482 8.8733 8.8753 10.3405 10.3413 12.2661 12.2671 k = 0.1455 0.1455-0.0000 ( 3585 PWs) bands (ev): -71.5476 -71.5476 -38.4999 -38.4996 -38.2268 -38.2264 -38.1892 -38.1892 -11.8730 -11.8729 -11.0182 -11.0176 -1.0052 -0.9959 -0.4489 -0.4470 0.0743 0.0922 1.0295 1.0352 1.3784 1.4319 1.6348 1.6863 7.5546 7.5550 8.8202 8.8221 10.2853 10.2859 12.3106 12.3117 k = 0.1364 0.1364-0.0000 ( 3589 PWs) bands (ev): -71.5476 -71.5476 -38.4999 -38.4996 -38.2268 -38.2264 -38.1892 -38.1892 -11.8873 -11.8873 -11.0102 -11.0097 -0.9643 -0.9548 -0.4691 -0.4675 0.0579 0.0749 1.0858 1.0899 1.3934 1.4465 1.6308 1.6828 7.4638 7.4642 8.7694 8.7714 10.2284 10.2290 12.3596 12.3607 k = 0.1273 0.1273-0.0000 ( 3595 PWs) bands (ev): -71.5476 -71.5476 -38.4999 -38.4996 -38.2268 -38.2264 -38.1892 -38.1892 -11.9009 -11.9008 -11.0026 -11.0021 -0.9251 -0.9155 -0.4883 -0.4869 0.0421 0.0582 1.1409 1.1433 1.4083 1.4606 1.6272 1.6794 7.3758 7.3762 8.7213 8.7232 10.1711 10.1716 12.4117 12.4127 k = 0.1182 0.1182-0.0000 ( 3591 PWs) bands (ev): -71.5476 -71.5476 -38.4998 -38.4995 -38.2268 -38.2264 -38.1891 -38.1891 -11.9136 -11.9136 -10.9954 -10.9949 -0.8878 -0.8782 -0.5063 -0.5052 0.0270 0.0423 1.1943 1.1949 1.4232 1.4741 1.6239 1.6762 7.2911 7.2916 8.6760 8.6779 10.1143 10.1147 12.4656 12.4666 k = 0.1091 0.1091-0.0000 ( 3597 PWs) bands (ev): -71.5476 -71.5476 -38.4998 -38.4995 -38.2267 -38.2264 -38.1891 -38.1891 -11.9256 -11.9256 -10.9886 -10.9882 -0.8526 -0.8430 -0.5231 -0.5223 0.0127 0.0273 1.2439 1.2455 1.4383 1.4872 1.6209 1.6730 7.2103 7.2107 8.6337 8.6355 10.0588 10.0592 12.5200 12.5210 k = 0.1000 0.1000-0.0000 ( 3601 PWs) bands (ev): -71.5476 -71.5476 -38.4998 -38.4995 -38.2267 -38.2265 -38.1891 -38.1891 -11.9367 -11.9367 -10.9823 -10.9819 -0.8197 -0.8101 -0.5386 -0.5381 -0.0006 0.0131 1.2898 1.2940 1.4538 1.4997 1.6183 1.6698 7.1337 7.1342 8.5945 8.5962 10.0054 10.0058 12.5738 12.5747 k = 0.0909 0.0909-0.0000 ( 3605 PWs) bands (ev): -71.5476 -71.5476 -38.4998 -38.4995 -38.2267 -38.2265 -38.1891 -38.1891 -11.9469 -11.9469 -10.9764 -10.9760 -0.7891 -0.7797 -0.5528 -0.5525 -0.0129 -0.0001 1.3315 1.3394 1.4703 1.5118 1.6163 1.6666 7.0619 7.0623 8.5584 8.5600 9.9548 9.9552 12.6260 12.6269 k = 0.0818 0.0818-0.0000 ( 3591 PWs) bands (ev): -71.5476 -71.5476 -38.4997 -38.4995 -38.2267 -38.2264 -38.1890 -38.1890 -11.9562 -11.9562 -10.9710 -10.9707 -0.7611 -0.7520 -0.5655 -0.5655 -0.0242 -0.0122 1.3683 1.3807 1.4883 1.5236 1.6148 1.6633 6.9953 6.9957 8.5257 8.5271 9.9076 9.9079 12.6757 12.6765 k = 0.0727 0.0727-0.0000 ( 3591 PWs) bands (ev): -71.5476 -71.5476 -38.4997 -38.4995 -38.2266 -38.2264 -38.1890 -38.1890 -11.9646 -11.9646 -10.9662 -10.9658 -0.7358 -0.7271 -0.5769 -0.5768 -0.0344 -0.0234 1.3993 1.4173 1.5082 1.5353 1.6141 1.6599 6.9343 6.9347 8.4962 8.4975 9.8641 9.8644 12.7220 12.7228 k = 0.0636 0.0636-0.0000 ( 3591 PWs) bands (ev): -71.5476 -71.5476 -38.4997 -38.4995 -38.2266 -38.2264 -38.1889 -38.1889 -11.9721 -11.9721 -10.9618 -10.9615 -0.7135 -0.7053 -0.5867 -0.5864 -0.0434 -0.0334 1.4242 1.4481 1.5299 1.5475 1.6144 1.6565 6.8794 6.8797 8.4701 8.4713 9.8249 9.8252 12.7644 12.7650 k = 0.0545 0.0545-0.0000 ( 3587 PWs) bands (ev): -71.5476 -71.5476 -38.4997 -38.4995 -38.2266 -38.2264 -38.1889 -38.1889 -11.9786 -11.9786 -10.9580 -10.9577 -0.6945 -0.6869 -0.5946 -0.5941 -0.0512 -0.0424 1.4437 1.4719 1.5521 1.5606 1.6158 1.6528 6.8309 6.8312 8.4475 8.4485 9.7903 9.7905 12.8021 12.8026 k = 0.0455 0.0455-0.0000 ( 3591 PWs) bands (ev): -71.5476 -71.5476 -38.4996 -38.4995 -38.2266 -38.2265 -38.1889 -38.1889 -11.9841 -11.9841 -10.9547 -10.9545 -0.6789 -0.6722 -0.6003 -0.5998 -0.0577 -0.0501 1.4591 1.4886 1.5735 1.5743 1.6185 1.6491 6.7891 6.7894 8.4282 8.4291 9.7605 9.7607 12.8346 12.8351 k = 0.0364 0.0364-0.0000 ( 3583 PWs) bands (ev): -71.5476 -71.5476 -38.4996 -38.4995 -38.2266 -38.2265 -38.1889 -38.1889 -11.9886 -11.9886 -10.9521 -10.9519 -0.6672 -0.6617 -0.6036 -0.6032 -0.0629 -0.0567 1.4715 1.4989 1.5875 1.5924 1.6227 1.6453 6.7545 6.7547 8.4125 8.4132 9.7359 9.7360 12.8618 12.8621 k = 0.0273 0.0273-0.0000 ( 3575 PWs) bands (ev): -71.5476 -71.5476 -38.4996 -38.4995 -38.2265 -38.2265 -38.1888 -38.1888 -11.9922 -11.9922 -10.9500 -10.9498 -0.6593 -0.6552 -0.6045 -0.6043 -0.0668 -0.0621 1.4816 1.5041 1.5988 1.6077 1.6280 1.6417 6.7273 6.7274 8.4003 8.4008 9.7165 9.7166 12.8831 12.8834 k = 0.0182 0.0182-0.0000 ( 3567 PWs) bands (ev): -71.5476 -71.5476 -38.4996 -38.4995 -38.2265 -38.2264 -38.1888 -38.1888 -11.9947 -11.9947 -10.9484 -10.9484 -0.6546 -0.6520 -0.6039 -0.6038 -0.0694 -0.0662 1.4899 1.5057 1.6076 1.6180 1.6332 1.6388 6.7077 6.7078 8.3916 8.3920 9.7026 9.7026 12.8985 12.8987 k = 0.0091 0.0091-0.0000 ( 3567 PWs) bands (ev): -71.5476 -71.5476 -38.4995 -38.4995 -38.2265 -38.2265 -38.1888 -38.1888 -11.9962 -11.9962 -10.9475 -10.9475 -0.6523 -0.6510 -0.6029 -0.6028 -0.0706 -0.0690 1.4964 1.5046 1.6144 1.6216 1.6370 1.6380 6.6959 6.6959 8.3864 8.3866 9.6942 9.6942 12.9079 12.9079 k = 0.0000 0.0000 0.0000 ( 3559 PWs) bands (ev): -71.5476 -71.5476 -38.4995 -38.4995 -38.2265 -38.2265 -38.1888 -38.1888 -11.9967 -11.9967 -10.9472 -10.9472 -0.6512 -0.6512 -0.6024 -0.6024 -0.0705 -0.0705 1.5014 1.5014 1.6194 1.6194 1.6384 1.6384 6.6919 6.6919 8.3847 8.3847 9.6914 9.6914 12.9110 12.9110 k = 0.0000 0.0000 0.0000 ( 3559 PWs) bands (ev): -71.5476 -71.5476 -38.4995 -38.4995 -38.2265 -38.2265 -38.1888 -38.1888 -11.9967 -11.9967 -10.9472 -10.9472 -0.6512 -0.6512 -0.6024 -0.6024 -0.0705 -0.0705 1.5014 1.5014 1.6194 1.6194 1.6384 1.6384 6.6919 6.6919 8.3847 8.3847 9.6914 9.6914 12.9110 12.9110 k = 0.0000 0.0000 0.0128 ( 3567 PWs) bands (ev): -71.5476 -71.5476 -38.4995 -38.4995 -38.2265 -38.2265 -38.1888 -38.1888 -11.9963 -11.9963 -10.9475 -10.9475 -0.6508 -0.6508 -0.6020 -0.6020 -0.0710 -0.0710 1.4998 1.4998 1.6181 1.6181 1.6379 1.6379 6.6952 6.6952 8.3876 8.3876 9.6934 9.6934 12.9120 12.9120 k = 0.0000 0.0000 0.0255 ( 3567 PWs) bands (ev): -71.5476 -71.5476 -38.4995 -38.4995 -38.2265 -38.2265 -38.1888 -38.1888 -11.9951 -11.9951 -10.9485 -10.9485 -0.6495 -0.6495 -0.6008 -0.6008 -0.0728 -0.0728 1.4948 1.4948 1.6141 1.6141 1.6364 1.6364 6.7051 6.7051 8.3960 8.3960 9.6997 9.6997 12.9149 12.9149 k = 0.0000 0.0000 0.0383 ( 3567 PWs) bands (ev): -71.5476 -71.5476 -38.4995 -38.4995 -38.2265 -38.2265 -38.1888 -38.1888 -11.9930 -11.9930 -10.9501 -10.9501 -0.6474 -0.6474 -0.5988 -0.5988 -0.0757 -0.0757 1.4863 1.4863 1.6078 1.6078 1.6338 1.6338 6.7214 6.7214 8.4101 8.4101 9.7101 9.7101 12.9197 12.9197 k = 0.0000 0.0000 0.0510 ( 3563 PWs) bands (ev): -71.5476 -71.5476 -38.4995 -38.4995 -38.2265 -38.2265 -38.1888 -38.1888 -11.9901 -11.9901 -10.9523 -10.9523 -0.6445 -0.6445 -0.5959 -0.5959 -0.0797 -0.0797 1.4739 1.4739 1.5997 1.5997 1.6302 1.6302 6.7440 6.7440 8.4296 8.4296 9.7246 9.7246 12.9265 12.9265 k = 0.0000 0.0000 0.0638 ( 3579 PWs) bands (ev): -71.5476 -71.5476 -38.4996 -38.4996 -38.2265 -38.2265 -38.1888 -38.1888 -11.9864 -11.9864 -10.9552 -10.9552 -0.6409 -0.6409 -0.5923 -0.5923 -0.0847 -0.0847 1.4573 1.4573 1.5903 1.5903 1.6256 1.6256 6.7727 6.7727 8.4544 8.4544 9.7433 9.7433 12.9351 12.9351 k = 0.0000 0.0000 0.0765 ( 3587 PWs) bands (ev): -71.5476 -71.5476 -38.4996 -38.4996 -38.2265 -38.2265 -38.1888 -38.1888 -11.9819 -11.9819 -10.9587 -10.9587 -0.6364 -0.6364 -0.5879 -0.5879 -0.0907 -0.0907 1.4362 1.4362 1.5802 1.5802 1.6201 1.6201 6.8073 6.8073 8.4843 8.4843 9.7661 9.7661 12.9456 12.9456 k = 0.0000 0.0000 0.0893 ( 3595 PWs) bands (ev): -71.5476 -71.5476 -38.4996 -38.4996 -38.2266 -38.2266 -38.1888 -38.1888 -11.9765 -11.9765 -10.9628 -10.9628 -0.6311 -0.6311 -0.5827 -0.5827 -0.0975 -0.0975 1.4105 1.4105 1.5696 1.5696 1.6136 1.6136 6.8475 6.8475 8.5191 8.5191 9.7929 9.7929 12.9580 12.9580 k = 0.0000 0.0000 0.1020 ( 3587 PWs) bands (ev): -71.5476 -71.5476 -38.4996 -38.4996 -38.2266 -38.2266 -38.1888 -38.1888 -11.9704 -11.9704 -10.9676 -10.9676 -0.6251 -0.6251 -0.5768 -0.5768 -0.1051 -0.1051 1.3804 1.3804 1.5588 1.5588 1.6061 1.6061 6.8929 6.8929 8.5585 8.5585 9.8238 9.8238 12.9723 12.9723 k = 0.0000 0.0000 0.1148 ( 3579 PWs) bands (ev): -71.5476 -71.5476 -38.4996 -38.4996 -38.2265 -38.2265 -38.1888 -38.1888 -11.9636 -11.9636 -10.9730 -10.9730 -0.6184 -0.6184 -0.5702 -0.5702 -0.1132 -0.1132 1.3462 1.3462 1.5478 1.5478 1.5978 1.5978 6.9432 6.9432 8.6022 8.6022 9.8587 9.8587 12.9883 12.9883 k = 0.0000 0.0000 0.1276 ( 3567 PWs) bands (ev): -71.5476 -71.5476 -38.4996 -38.4996 -38.2265 -38.2265 -38.1888 -38.1888 -11.9560 -11.9560 -10.9789 -10.9789 -0.6109 -0.6109 -0.5629 -0.5629 -0.1218 -0.1218 1.3083 1.3083 1.5366 1.5366 1.5886 1.5886 6.9980 6.9980 8.6499 8.6499 9.8975 9.8975 13.0061 13.0061 k = 0.0000 0.0000 0.1403 ( 3567 PWs) bands (ev): -71.5476 -71.5476 -38.4996 -38.4996 -38.2265 -38.2265 -38.1888 -38.1888 -11.9476 -11.9476 -10.9855 -10.9855 -0.6028 -0.6028 -0.5550 -0.5550 -0.1308 -0.1308 1.2671 1.2671 1.5251 1.5251 1.5786 1.5786 7.0571 7.0571 8.7009 8.7009 9.9403 9.9403 13.0256 13.0256 k = 0.0000 0.0000 0.1531 ( 3567 PWs) bands (ev): -71.5476 -71.5476 -38.4996 -38.4996 -38.2265 -38.2265 -38.1888 -38.1888 -11.9386 -11.9386 -10.9927 -10.9927 -0.5941 -0.5941 -0.5465 -0.5465 -0.1399 -0.1399 1.2231 1.2231 1.5132 1.5132 1.5679 1.5679 7.1199 7.1199 8.7549 8.7549 9.9868 9.9868 13.0468 13.0468 k = 0.0000 0.0000 0.1658 ( 3563 PWs) bands (ev): -71.5476 -71.5476 -38.4996 -38.4996 -38.2265 -38.2265 -38.1888 -38.1888 -11.9289 -11.9289 -11.0004 -11.0004 -0.5848 -0.5848 -0.5374 -0.5374 -0.1490 -0.1490 1.1765 1.1765 1.5010 1.5010 1.5564 1.5564 7.1862 7.1862 8.8115 8.8115 10.0371 10.0371 13.0695 13.0695 k = 0.0000 0.0000 0.1786 ( 3563 PWs) bands (ev): -71.5476 -71.5476 -38.4996 -38.4996 -38.2265 -38.2265 -38.1888 -38.1888 -11.9186 -11.9186 -11.0087 -11.0087 -0.5749 -0.5749 -0.5278 -0.5278 -0.1581 -0.1581 1.1279 1.1279 1.4885 1.4885 1.5442 1.5442 7.2555 7.2555 8.8699 8.8699 10.0910 10.0910 13.0472 13.0474 k = 0.0000 0.0000 0.1913 ( 3543 PWs) bands (ev): -71.5476 -71.5476 -38.4995 -38.4995 -38.2265 -38.2265 -38.1888 -38.1888 -11.9076 -11.9076 -11.0175 -11.0175 -0.5646 -0.5646 -0.5177 -0.5177 -0.1668 -0.1668 1.0776 1.0776 1.4756 1.4756 1.5315 1.5315 7.3276 7.3276 8.9298 8.9298 10.1484 10.1484 13.0158 13.0168 k = 0.0000 0.0000 0.2041 ( 3543 PWs) bands (ev): -71.5476 -71.5476 -38.4995 -38.4995 -38.2265 -38.2265 -38.1888 -38.1888 -11.8961 -11.8961 -11.0268 -11.0268 -0.5538 -0.5538 -0.5072 -0.5072 -0.1751 -0.1751 1.0259 1.0259 1.4625 1.4625 1.5182 1.5182 7.4020 7.4020 8.9902 8.9902 10.2092 10.2092 12.9850 12.9862 k = 0.0000 0.0000 0.2168 ( 3559 PWs) bands (ev): -71.5476 -71.5476 -38.4996 -38.4996 -38.2265 -38.2265 -38.1888 -38.1888 -11.8840 -11.8840 -11.0366 -11.0366 -0.5426 -0.5426 -0.4964 -0.4964 -0.1828 -0.1828 0.9732 0.9732 1.4490 1.4490 1.5045 1.5045 7.4785 7.4785 9.0505 9.0505 10.2732 10.2732 12.9549 12.9561 k = 0.0000 0.0000 0.2296 ( 3555 PWs) bands (ev): -71.5476 -71.5476 -38.4996 -38.4996 -38.2265 -38.2265 -38.1888 -38.1888 -11.8715 -11.8715 -11.0469 -11.0469 -0.5312 -0.5312 -0.4853 -0.4853 -0.1897 -0.1897 0.9197 0.9197 1.4353 1.4353 1.4904 1.4904 7.5568 7.5568 9.1101 9.1101 10.3403 10.3403 12.9260 12.9266 k = 0.0000 0.0000 0.2424 ( 3567 PWs) bands (ev): -71.5476 -71.5476 -38.4996 -38.4996 -38.2266 -38.2266 -38.1888 -38.1888 -11.8585 -11.8585 -11.0577 -11.0577 -0.5194 -0.5194 -0.4740 -0.4740 -0.1958 -0.1958 0.8658 0.8658 1.4215 1.4215 1.4760 1.4760 7.6365 7.6365 9.1679 9.1679 10.4104 10.4104 12.8982 12.8982 k = 0.0000 0.0000 0.2551 ( 3567 PWs) bands (ev): -71.5476 -71.5476 -38.4996 -38.4996 -38.2266 -38.2266 -38.1888 -38.1888 -11.8451 -11.8451 -11.0688 -11.0688 -0.5075 -0.5075 -0.4625 -0.4625 -0.2008 -0.2008 0.8117 0.8117 1.4076 1.4076 1.4613 1.4613 7.7175 7.7175 9.2232 9.2232 10.4831 10.4831 12.8718 12.8718 k = 0.0000 0.0000 0.2679 ( 3567 PWs) bands (ev): -71.5476 -71.5476 -38.4996 -38.4996 -38.2266 -38.2266 -38.1888 -38.1888 -11.8314 -11.8314 -11.0803 -11.0803 -0.4954 -0.4954 -0.4510 -0.4510 -0.2047 -0.2047 0.7576 0.7576 1.3937 1.3937 1.4466 1.4466 7.7993 7.7993 9.2752 9.2752 10.5584 10.5584 12.8469 12.8470 k = 0.0000 0.0000 0.2806 ( 3575 PWs) bands (ev): -71.5476 -71.5476 -38.4996 -38.4996 -38.2266 -38.2266 -38.1888 -38.1888 -11.8174 -11.8174 -11.0921 -11.0921 -0.4833 -0.4833 -0.4395 -0.4395 -0.2074 -0.2074 0.7038 0.7038 1.3798 1.3798 1.4318 1.4318 7.8820 7.8820 9.3230 9.3230 10.6360 10.6360 12.8235 12.8235 k = 0.0000 0.0000 0.2934 ( 3575 PWs) bands (ev): -71.5476 -71.5476 -38.4996 -38.4996 -38.2266 -38.2266 -38.1888 -38.1888 -11.8032 -11.8032 -11.1041 -11.1041 -0.4711 -0.4711 -0.4281 -0.4281 -0.2086 -0.2086 0.6505 0.6505 1.3661 1.3661 1.4170 1.4170 7.9651 7.9651 9.3656 9.3656 10.7157 10.7157 12.8017 12.8019 k = 0.0000 0.0000 0.3061 ( 3583 PWs) bands (ev): -71.5476 -71.5476 -38.4997 -38.4997 -38.2267 -38.2267 -38.1888 -38.1888 -11.7889 -11.7889 -11.1163 -11.1163 -0.4591 -0.4591 -0.4168 -0.4168 -0.2084 -0.2084 0.5980 0.5980 1.3527 1.3527 1.4025 1.4025 8.0485 8.0485 9.4024 9.4024 10.7972 10.7972 12.7815 12.7819 k = 0.0000 0.0000 0.3189 ( 3584 PWs) bands (ev): -71.5476 -71.5476 -38.4997 -38.4997 -38.2267 -38.2267 -38.1888 -38.1888 -11.7745 -11.7745 -11.1287 -11.1287 -0.4473 -0.4473 -0.4059 -0.4059 -0.2067 -0.2067 0.5463 0.5463 1.3397 1.3397 1.3882 1.3882 8.1320 8.1320 9.4325 9.4325 10.8802 10.8802 12.7630 12.7633 k = 0.0000 0.0000 0.3316 ( 3584 PWs) bands (ev): -71.5476 -71.5476 -38.4997 -38.4997 -38.2267 -38.2267 -38.1888 -38.1888 -11.7602 -11.7602 -11.1411 -11.1411 -0.4357 -0.4357 -0.3953 -0.3953 -0.2034 -0.2034 0.4957 0.4957 1.3271 1.3271 1.3744 1.3744 8.2154 8.2154 9.4554 9.4554 10.9645 10.9645 12.7461 12.7465 k = 0.0000 0.0000 0.3444 ( 3592 PWs) bands (ev): -71.5476 -71.5476 -38.4997 -38.4997 -38.2267 -38.2267 -38.1888 -38.1888 -11.7461 -11.7461 -11.1534 -11.1534 -0.4244 -0.4244 -0.3852 -0.3852 -0.1984 -0.1984 0.4463 0.4463 1.3151 1.3151 1.3610 1.3610 8.2985 8.2985 9.4706 9.4706 11.0495 11.0495 12.7307 12.7308 k = 0.0000 0.0000 0.3572 ( 3564 PWs) bands (ev): -71.5476 -71.5476 -38.4997 -38.4997 -38.2267 -38.2267 -38.1888 -38.1888 -11.7323 -11.7323 -11.1655 -11.1655 -0.4136 -0.4136 -0.3757 -0.3757 -0.1917 -0.1917 0.3983 0.3983 1.3037 1.3037 1.3483 1.3483 8.3811 8.3811 9.4778 9.4778 11.1350 11.1350 12.7172 12.7175 k = 0.0000 0.0000 0.3699 ( 3572 PWs) bands (ev): -71.5476 -71.5476 -38.4997 -38.4997 -38.2267 -38.2267 -38.1888 -38.1888 -11.7189 -11.7189 -11.1773 -11.1773 -0.4033 -0.4033 -0.3668 -0.3668 -0.1832 -0.1832 0.3519 0.3519 1.2931 1.2931 1.3363 1.3363 8.4629 8.4629 9.4768 9.4768 11.2204 11.2204 12.7045 12.7046 k = 0.0000 0.0000 0.3827 ( 3580 PWs) bands (ev): -71.5476 -71.5476 -38.4997 -38.4997 -38.2267 -38.2267 -38.1888 -38.1888 -11.7061 -11.7061 -11.1887 -11.1887 -0.3936 -0.3936 -0.3586 -0.3586 -0.1731 -0.1731 0.3072 0.3072 1.2833 1.2833 1.3252 1.3252 8.5438 8.5438 9.4678 9.4678 11.3050 11.3050 12.6593 12.6593 k = 0.0000 0.0000 0.3954 ( 3572 PWs) bands (ev): -71.5476 -71.5476 -38.4997 -38.4997 -38.2267 -38.2267 -38.1888 -38.1888 -11.6940 -11.6940 -11.1994 -11.1994 -0.3846 -0.3846 -0.3513 -0.3513 -0.1612 -0.1612 0.2644 0.2644 1.2745 1.2745 1.3151 1.3151 8.6235 8.6235 9.4510 9.4510 11.3880 11.3880 12.6100 12.6100 k = 0.0000 0.0000 0.4082 ( 3572 PWs) bands (ev): -71.5476 -71.5476 -38.4997 -38.4997 -38.2267 -38.2267 -38.1888 -38.1888 -11.6830 -11.6830 -11.2094 -11.2094 -0.3765 -0.3765 -0.3448 -0.3448 -0.1477 -0.1477 0.2238 0.2238 1.2667 1.2667 1.3060 1.3060 8.7016 8.7016 9.4267 9.4267 11.4686 11.4686 12.5614 12.5614 k = 0.0000 0.0000 0.4209 ( 3580 PWs) bands (ev): -71.5476 -71.5476 -38.4997 -38.4997 -38.2267 -38.2267 -38.1888 -38.1888 -11.6731 -11.6731 -11.2183 -11.2183 -0.3693 -0.3693 -0.3392 -0.3392 -0.1327 -0.1327 0.1856 0.1856 1.2599 1.2599 1.2982 1.2982 8.7778 8.7778 9.3955 9.3955 11.5453 11.5453 12.5136 12.5136 k = 0.0000 0.0000 0.4337 ( 3576 PWs) bands (ev): -71.5476 -71.5476 -38.4997 -38.4997 -38.2267 -38.2267 -38.1888 -38.1888 -11.6646 -11.6646 -11.2260 -11.2260 -0.3633 -0.3633 -0.3346 -0.3346 -0.1165 -0.1165 0.1502 0.1502 1.2544 1.2544 1.2916 1.2916 8.8515 8.8515 9.3581 9.3581 11.6162 11.6162 12.4677 12.4677 k = 0.0000 0.0000 0.4465 ( 3572 PWs) bands (ev): -71.5476 -71.5476 -38.4997 -38.4997 -38.2267 -38.2267 -38.1888 -38.1888 -11.6577 -11.6577 -11.2322 -11.2322 -0.3584 -0.3584 -0.3310 -0.3310 -0.0997 -0.0997 0.1184 0.1184 1.2500 1.2500 1.2864 1.2864 8.9219 8.9219 9.3158 9.3158 11.6788 11.6788 12.4255 12.4255 k = 0.0000 0.0000 0.4592 ( 3572 PWs) bands (ev): -71.5476 -71.5476 -38.4997 -38.4997 -38.2267 -38.2267 -38.1888 -38.1888 -11.6526 -11.6526 -11.2369 -11.2369 -0.3549 -0.3549 -0.3285 -0.3285 -0.0836 -0.0836 0.0916 0.0916 1.2468 1.2468 1.2826 1.2826 8.9872 8.9872 9.2703 9.2703 11.7293 11.7293 12.3900 12.3900 k = 0.0000 0.0000 0.4720 ( 3580 PWs) bands (ev): -71.5476 -71.5476 -38.4997 -38.4997 -38.2267 -38.2267 -38.1888 -38.1888 -11.6495 -11.6495 -11.2397 -11.2397 -0.3527 -0.3527 -0.3269 -0.3269 -0.0709 -0.0709 0.0724 0.0724 1.2449 1.2449 1.2803 1.2803 9.0423 9.0423 9.2271 9.2271 11.7628 11.7628 12.3656 12.3656 k = 0.0000 0.0000 0.4847 ( 3588 PWs) bands (ev): -71.5476 -71.5476 -38.4997 -38.4997 -38.2267 -38.2267 -38.1888 -38.1888 -11.6484 -11.6484 -11.2407 -11.2407 -0.3520 -0.3520 -0.3264 -0.3264 -0.0659 -0.0659 0.0652 0.0652 1.2442 1.2442 1.2795 1.2795 9.0683 9.0683 9.2049 9.2049 11.7747 11.7747 12.3568 12.3568 k = 0.0000 0.0000 0.4847 ( 3588 PWs) bands (ev): -71.5476 -71.5476 -38.4997 -38.4997 -38.2267 -38.2267 -38.1888 -38.1888 -11.6484 -11.6484 -11.2407 -11.2407 -0.3520 -0.3520 -0.3264 -0.3264 -0.0659 -0.0659 0.0652 0.0652 1.2442 1.2442 1.2795 1.2795 9.0683 9.0683 9.2049 9.2049 11.7747 11.7747 12.3568 12.3568 k = 0.0000 0.0128 0.4847 ( 3580 PWs) bands (ev): -71.5476 -71.5476 -38.4997 -38.4997 -38.2267 -38.2267 -38.1888 -38.1888 -11.6481 -11.6481 -11.2407 -11.2407 -0.3624 -0.3554 -0.3359 -0.3252 -0.0669 -0.0510 0.0607 0.0731 1.2435 1.2465 1.2787 1.2819 9.0671 9.0687 9.2059 9.2069 11.7752 11.7762 12.3551 12.3566 k = 0.0000 0.0256 0.4847 ( 3576 PWs) bands (ev): -71.5476 -71.5476 -38.4997 -38.4997 -38.2267 -38.2267 -38.1888 -38.1888 -11.6471 -11.6471 -11.2407 -11.2406 -0.3880 -0.3833 -0.3384 -0.3282 -0.0585 -0.0288 0.0617 0.0861 1.2441 1.2500 1.2793 1.2857 9.0645 9.0675 9.2106 9.2126 11.7777 11.7796 12.3518 12.3548 k = 0.0000 0.0385 0.4847 ( 3576 PWs) bands (ev): -71.5476 -71.5476 -38.4998 -38.4997 -38.2268 -38.2267 -38.1888 -38.1888 -11.6456 -11.6456 -11.2407 -11.2405 -0.4276 -0.4257 -0.3374 -0.3296 -0.0505 -0.0137 0.0762 0.1072 1.2457 1.2542 1.2820 1.2912 9.0586 9.0627 9.2212 9.2237 11.7814 11.7843 12.3478 12.3522 k = 0.0000 0.0513 0.4847 ( 3568 PWs) bands (ev): -71.5476 -71.5476 -38.4998 -38.4997 -38.2268 -38.2267 -38.1888 -38.1888 -11.6433 -11.6433 -11.2406 -11.2404 -0.4758 -0.4750 -0.3357 -0.3294 -0.0491 -0.0144 0.1081 0.1374 1.2480 1.2583 1.2875 1.2988 9.0475 9.0523 9.2396 9.2423 11.7856 11.7893 12.3441 12.3498 k = 0.0000 0.0641 0.4847 ( 3560 PWs) bands (ev): -71.5476 -71.5476 -38.4998 -38.4996 -38.2268 -38.2266 -38.1888 -38.1888 -11.6405 -11.6405 -11.2405 -11.2403 -0.5288 -0.5284 -0.3337 -0.3283 -0.0551 -0.0255 0.1500 0.1748 1.2506 1.2617 1.2962 1.3084 9.0304 9.0354 9.2669 9.2693 11.7888 11.7933 12.3425 12.3492 k = 0.0000 0.0769 0.4847 ( 3558 PWs) bands (ev): -71.5476 -71.5476 -38.4998 -38.4996 -38.2268 -38.2266 -38.1888 -38.1888 -11.6371 -11.6371 -11.2405 -11.2402 -0.5847 -0.5844 -0.3313 -0.3265 -0.0674 -0.0423 0.1958 0.2166 1.2532 1.2642 1.3079 1.3202 9.0073 9.0122 9.3030 9.3049 11.7896 11.7948 12.3378 12.3392 k = 0.0000 0.0897 0.4847 ( 3562 PWs) bands (ev): -71.5476 -71.5476 -38.4998 -38.4996 -38.2268 -38.2266 -38.1888 -38.1888 -11.6330 -11.6330 -11.2404 -11.2402 -0.6424 -0.6419 -0.3286 -0.3242 -0.0843 -0.0628 0.2431 0.2607 1.2558 1.2663 1.3222 1.3341 8.9786 8.9835 9.3474 9.3488 11.7863 11.7919 12.2517 12.2518 k = 0.0000 0.1026 0.4847 ( 3562 PWs) bands (ev): -71.5476 -71.5476 -38.4998 -38.4996 -38.2268 -38.2266 -38.1889 -38.1889 -11.6284 -11.6284 -11.2404 -11.2401 -0.7012 -0.7005 -0.3256 -0.3213 -0.1050 -0.0861 0.2906 0.3058 1.2584 1.2682 1.3385 1.3498 8.9451 8.9498 9.3995 9.4003 11.7775 11.7833 12.1605 12.1607 k = 0.0000 0.1154 0.4847 ( 3554 PWs) bands (ev): -71.5476 -71.5476 -38.4998 -38.4996 -38.2268 -38.2266 -38.1889 -38.1889 -11.6233 -11.6232 -11.2404 -11.2400 -0.7605 -0.7597 -0.3224 -0.3181 -0.1285 -0.1116 0.3378 0.3511 1.2610 1.2701 1.3564 1.3671 8.9074 8.9119 9.4589 9.4591 11.7626 11.7683 12.0677 12.0678 k = 0.0000 0.1282 0.4847 ( 3570 PWs) bands (ev): -71.5476 -71.5476 -38.4999 -38.4997 -38.2269 -38.2266 -38.1890 -38.1890 -11.6175 -11.6175 -11.2404 -11.2400 -0.8201 -0.8191 -0.3191 -0.3145 -0.1544 -0.1389 0.3843 0.3961 1.2635 1.2720 1.3756 1.3857 8.8659 8.8703 9.5246 9.5249 11.7413 11.7467 11.9741 11.9742 k = 0.0000 0.1410 0.4847 ( 3566 PWs) bands (ev): -71.5476 -71.5476 -38.4999 -38.4997 -38.2269 -38.2266 -38.1890 -38.1890 -11.6113 -11.6113 -11.2405 -11.2401 -0.8797 -0.8785 -0.3156 -0.3106 -0.1822 -0.1676 0.4299 0.4405 1.2660 1.2739 1.3960 1.4055 8.8212 8.8256 9.5965 9.5972 11.7143 11.7192 11.8808 11.8809 k = 0.0000 0.1538 0.4847 ( 3566 PWs) bands (ev): -71.5476 -71.5476 -38.4999 -38.4997 -38.2269 -38.2267 -38.1890 -38.1890 -11.6046 -11.6045 -11.2407 -11.2402 -0.9391 -0.9376 -0.3124 -0.3064 -0.2114 -0.1970 0.4745 0.4841 1.2686 1.2760 1.4171 1.4261 8.7739 8.7781 9.6743 9.6754 11.6825 11.6868 11.7885 11.7885 k = 0.0000 0.1667 0.4847 ( 3574 PWs) bands (ev): -71.5476 -71.5476 -38.5000 -38.4997 -38.2270 -38.2267 -38.1891 -38.1891 -11.5974 -11.5973 -11.2409 -11.2404 -0.9979 -0.9964 -0.3100 -0.3022 -0.2416 -0.2263 0.5180 0.5266 1.2712 1.2781 1.4390 1.4475 8.7243 8.7283 9.7574 9.7590 11.6469 11.6507 11.6975 11.6976 k = 0.0000 0.1795 0.4847 ( 3570 PWs) bands (ev): -71.5476 -71.5476 -38.5000 -38.4997 -38.2270 -38.2267 -38.1891 -38.1891 -11.5897 -11.5896 -11.2412 -11.2407 -1.0561 -1.0544 -0.3104 -0.2986 -0.2718 -0.2533 0.5602 0.5680 1.2737 1.2803 1.4613 1.4694 8.6729 8.6768 9.8454 9.8474 11.6051 11.6084 11.6121 11.6123 k = 0.0000 0.1923 0.4847 ( 3570 PWs) bands (ev): -71.5476 -71.5476 -38.5000 -38.4997 -38.2270 -38.2267 -38.1891 -38.1891 -11.5816 -11.5815 -11.2417 -11.2411 -1.1134 -1.1117 -0.3197 -0.3091 -0.2883 -0.2716 0.6011 0.6081 1.2764 1.2826 1.4841 1.4917 8.6200 8.6239 9.9377 9.9400 11.5210 11.5214 11.5701 11.5722 k = 0.0000 0.2051 0.4847 ( 3566 PWs) bands (ev): -71.5476 -71.5476 -38.5000 -38.4997 -38.2270 -38.2267 -38.1892 -38.1892 -11.5732 -11.5731 -11.2422 -11.2417 -1.1698 -1.1679 -0.3423 -0.3395 -0.2851 -0.2768 0.6407 0.6470 1.2790 1.2849 1.5070 1.5142 8.5662 8.5699 10.0333 10.0360 11.4366 11.4369 11.5308 11.5323 k = 0.0000 0.2179 0.4847 ( 3562 PWs) bands (ev): -71.5476 -71.5476 -38.5000 -38.4997 -38.2270 -38.2267 -38.1892 -38.1892 -11.5643 -11.5642 -11.2430 -11.2424 -1.2250 -1.2230 -0.3717 -0.3715 -0.2801 -0.2753 0.6788 0.6845 1.2817 1.2873 1.5300 1.5368 8.5117 8.5153 10.1313 10.1344 11.3548 11.3550 11.4929 11.4939 k = 0.0000 0.2308 0.4847 ( 3560 PWs) bands (ev): -71.5476 -71.5476 -38.5001 -38.4997 -38.2270 -38.2267 -38.1892 -38.1892 -11.5552 -11.5551 -11.2439 -11.2432 -1.2788 -1.2768 -0.4040 -0.4027 -0.2747 -0.2716 0.7155 0.7206 1.2843 1.2897 1.5529 1.5594 8.4569 8.4604 10.2303 10.2338 11.2758 11.2760 11.4580 11.4584 k = 0.0000 0.2436 0.4847 ( 3556 PWs) bands (ev): -71.5476 -71.5476 -38.5001 -38.4998 -38.2270 -38.2267 -38.1893 -38.1893 -11.5458 -11.5456 -11.2449 -11.2443 -1.3312 -1.3292 -0.4362 -0.4344 -0.2692 -0.2669 0.7507 0.7553 1.2870 1.2922 1.5757 1.5818 8.4022 8.4055 10.3284 10.3323 11.1998 11.2000 11.4280 11.4282 k = 0.0000 0.2564 0.4847 ( 3554 PWs) bands (ev): -71.5476 -71.5476 -38.5001 -38.4998 -38.2270 -38.2267 -38.1893 -38.1893 -11.5361 -11.5360 -11.2462 -11.2456 -1.3820 -1.3800 -0.4679 -0.4659 -0.2635 -0.2618 0.7844 0.7885 1.2896 1.2946 1.5983 1.6040 8.3479 8.3511 10.4231 10.4273 11.1270 11.1271 11.4054 11.4062 k = 0.0000 0.2692 0.4847 ( 3556 PWs) bands (ev): -71.5476 -71.5476 -38.5001 -38.4998 -38.2271 -38.2267 -38.1893 -38.1893 -11.5263 -11.5261 -11.2477 -11.2470 -1.4310 -1.4290 -0.4990 -0.4970 -0.2579 -0.2566 0.8166 0.8202 1.2922 1.2970 1.6205 1.6258 8.2943 8.2973 10.5106 10.5153 11.0574 11.0575 11.3940 11.3954 k = 0.0000 0.2821 0.4847 ( 3552 PWs) bands (ev): -71.5476 -71.5476 -38.5001 -38.4998 -38.2271 -38.2267 -38.1894 -38.1894 -11.5162 -11.5160 -11.2495 -11.2488 -1.4781 -1.4761 -0.5293 -0.5273 -0.2523 -0.2512 0.8472 0.8503 1.2948 1.2994 1.6422 1.6472 8.2417 8.2446 10.5866 10.5916 10.9912 10.9913 11.3985 11.4004 k = 0.0000 0.2949 0.4847 ( 3554 PWs) bands (ev): -71.5476 -71.5476 -38.5001 -38.4998 -38.2271 -38.2268 -38.1894 -38.1894 -11.5060 -11.5058 -11.2514 -11.2507 -1.5232 -1.5213 -0.5586 -0.5568 -0.2467 -0.2459 0.8762 0.8789 1.2973 1.3017 1.6634 1.6681 8.1904 8.1932 10.6464 10.6516 10.9284 10.9285 11.4232 11.4255 k = 0.0000 0.3077 0.4847 ( 3552 PWs) bands (ev): -71.5476 -71.5476 -38.5001 -38.4999 -38.2271 -38.2268 -38.1895 -38.1894 -11.4958 -11.4955 -11.2537 -11.2530 -1.5662 -1.5644 -0.5869 -0.5852 -0.2413 -0.2405 0.9036 0.9059 1.2997 1.3040 1.6839 1.6883 8.1407 8.1434 10.6872 10.6922 10.8692 10.8693 11.4710 11.4734 k = 0.0000 0.3205 0.4847 ( 3556 PWs) bands (ev): -71.5476 -71.5476 -38.5002 -38.4999 -38.2271 -38.2268 -38.1895 -38.1895 -11.4855 -11.4852 -11.2562 -11.2555 -1.6070 -1.6052 -0.6140 -0.6123 -0.2360 -0.2353 0.9293 0.9312 1.3020 1.3062 1.7037 1.7077 8.0929 8.0954 10.7091 10.7138 10.8135 10.8136 11.5411 11.5434 k = 0.0000 0.3333 0.4847 ( 3556 PWs) bands (ev): -71.5476 -71.5476 -38.5002 -38.4999 -38.2271 -38.2268 -38.1895 -38.1895 -11.4752 -11.4749 -11.2590 -11.2583 -1.6455 -1.6438 -0.6397 -0.6382 -0.2308 -0.2303 0.9534 0.9549 1.3043 1.3082 1.7226 1.7263 8.0472 8.0495 10.7158 10.7199 10.7615 10.7617 11.6295 11.6316 k = 0.0000 0.3462 0.4847 ( 3556 PWs) bands (ev): -71.5476 -71.5476 -38.5002 -38.4999 -38.2271 -38.2268 -38.1896 -38.1896 -11.4649 -11.4646 -11.2620 -11.2613 -1.6815 -1.6798 -0.6639 -0.6626 -0.2259 -0.2255 0.9758 0.9770 1.3065 1.3102 1.7406 1.7440 8.0039 8.0060 10.7114 10.7121 10.7133 10.7163 11.7313 11.7331 k = 0.0000 0.3590 0.4847 ( 3560 PWs) bands (ev): -71.5476 -71.5476 -38.5002 -38.5000 -38.2271 -38.2269 -38.1896 -38.1896 -11.4547 -11.4544 -11.2654 -11.2647 -1.7149 -1.7134 -0.6866 -0.6854 -0.2212 -0.2208 0.9964 0.9973 1.3085 1.3121 1.7576 1.7607 7.9631 7.9651 10.6687 10.6687 10.7000 10.7034 11.8415 11.8432 k = 0.0000 0.3718 0.4847 ( 3550 PWs) bands (ev): -71.5476 -71.5476 -38.5002 -38.5000 -38.2271 -38.2269 -38.1896 -38.1896 -11.4447 -11.4444 -11.2690 -11.2683 -1.7458 -1.7444 -0.7077 -0.7065 -0.2168 -0.2165 1.0153 1.0160 1.3104 1.3138 1.7735 1.7763 7.9252 7.9269 10.6280 10.6280 10.6847 10.6875 11.9563 11.9579 k = 0.0000 0.3846 0.4847 ( 3550 PWs) bands (ev): -71.5476 -71.5476 -38.5002 -38.5000 -38.2271 -38.2269 -38.1897 -38.1896 -11.4349 -11.4346 -11.2728 -11.2722 -1.7739 -1.7726 -0.7270 -0.7260 -0.2127 -0.2124 1.0325 1.0329 1.3123 1.3154 1.7881 1.7906 7.8902 7.8918 10.5910 10.5910 10.6674 10.6699 11.9982 11.9986 k = 0.0000 0.3974 0.4847 ( 3550 PWs) bands (ev): -71.5476 -71.5476 -38.5002 -38.5000 -38.2271 -38.2269 -38.1897 -38.1897 -11.4254 -11.4251 -11.2769 -11.2762 -1.7993 -1.7981 -0.7444 -0.7436 -0.2090 -0.2087 1.0478 1.0481 1.3139 1.3168 1.8015 1.8037 7.8584 7.8598 10.5579 10.5579 10.6497 10.6518 11.9609 11.9610 k = 0.0000 0.4103 0.4847 ( 3558 PWs) bands (ev): -71.5476 -71.5476 -38.5002 -38.5000 -38.2271 -38.2269 -38.1897 -38.1897 -11.4163 -11.4159 -11.2812 -11.2805 -1.8218 -1.8208 -0.7600 -0.7592 -0.2056 -0.2054 1.0614 1.0616 1.3154 1.3180 1.8135 1.8155 7.8299 7.8312 10.5286 10.5286 10.6325 10.6343 11.9276 11.9277 k = 0.0000 0.4231 0.4847 ( 3562 PWs) bands (ev): -71.5476 -71.5476 -38.5002 -38.5001 -38.2271 -38.2270 -38.1897 -38.1897 -11.4076 -11.4073 -11.2855 -11.2849 -1.8415 -1.8406 -0.7737 -0.7730 -0.2026 -0.2025 1.0732 1.0733 1.3168 1.3191 1.8241 1.8258 7.8049 7.8060 10.5032 10.5032 10.6167 10.6181 11.8985 11.8986 k = 0.0000 0.4359 0.4847 ( 3562 PWs) bands (ev): -71.5476 -71.5476 -38.5002 -38.5001 -38.2271 -38.2270 -38.1898 -38.1898 -11.3996 -11.3992 -11.2898 -11.2893 -1.8582 -1.8574 -0.7853 -0.7847 -0.2001 -0.1999 1.0832 1.0832 1.3180 1.3200 1.8332 1.8346 7.7836 7.7845 10.4817 10.4817 10.6026 10.6038 11.8738 11.8739 k = 0.0000 0.4487 0.4847 ( 3566 PWs) bands (ev): -71.5476 -71.5476 -38.5002 -38.5001 -38.2271 -38.2270 -38.1898 -38.1898 -11.3923 -11.3920 -11.2940 -11.2935 -1.8719 -1.8713 -0.7948 -0.7944 -0.1979 -0.1978 1.0913 1.0914 1.3191 1.3207 1.8408 1.8419 7.7660 7.7667 10.4641 10.4641 10.5907 10.5916 11.8535 11.8535 k = 0.0000 0.4615 0.4847 ( 3566 PWs) bands (ev): -71.5476 -71.5476 -38.5002 -38.5001 -38.2271 -38.2270 -38.1898 -38.1898 -11.3861 -11.3858 -11.2978 -11.2974 -1.8826 -1.8821 -0.8023 -0.8019 -0.1963 -0.1962 1.0977 1.0977 1.3199 1.3212 1.8468 1.8476 7.7522 7.7528 10.4504 10.4504 10.5812 10.5819 11.8376 11.8377 k = 0.0000 0.4744 0.4847 ( 3558 PWs) bands (ev): -71.5476 -71.5476 -38.5002 -38.5001 -38.2271 -38.2270 -38.1898 -38.1898 -11.3812 -11.3810 -11.3009 -11.3006 -1.8902 -1.8899 -0.8076 -0.8074 -0.1950 -0.1950 1.1022 1.1023 1.3206 1.3215 1.8511 1.8516 7.7424 7.7427 10.4406 10.4406 10.5744 10.5748 11.8263 11.8263 k = 0.0000 0.4872 0.4847 ( 3556 PWs) bands (ev): -71.5476 -71.5476 -38.5002 -38.5001 -38.2270 -38.2270 -38.1898 -38.1898 -11.3780 -11.3779 -11.3029 -11.3027 -1.8947 -1.8946 -0.8108 -0.8107 -0.1943 -0.1943 1.1050 1.1050 1.3211 1.3216 1.8538 1.8540 7.7365 7.7367 10.4347 10.4347 10.5703 10.5705 11.8195 11.8195 k = 0.0000 0.5000 0.4847 ( 3564 PWs) bands (ev): -71.5476 -71.5476 -38.5002 -38.5002 -38.2270 -38.2270 -38.1898 -38.1898 -11.3769 -11.3769 -11.3036 -11.3036 -1.8962 -1.8962 -0.8118 -0.8118 -0.1941 -0.1941 1.1059 1.1059 1.3214 1.3214 1.8547 1.8547 7.7345 7.7345 10.4327 10.4327 10.5690 10.5690 11.8172 11.8172 k = 0.0000 0.5000 0.4847 ( 3564 PWs) bands (ev): -71.5476 -71.5476 -38.5002 -38.5002 -38.2270 -38.2270 -38.1898 -38.1898 -11.3769 -11.3769 -11.3036 -11.3036 -1.8962 -1.8962 -0.8118 -0.8118 -0.1941 -0.1941 1.1059 1.1059 1.3214 1.3214 1.8547 1.8547 7.7345 7.7345 10.4327 10.4327 10.5690 10.5690 11.8172 11.8172 k = 0.0128 0.5000 0.4847 ( 3560 PWs) bands (ev): -71.5476 -71.5476 -38.5002 -38.5001 -38.2270 -38.2270 -38.1898 -38.1898 -11.3767 -11.3766 -11.3035 -11.3035 -1.8959 -1.8953 -0.8112 -0.8108 -0.1968 -0.1950 1.1041 1.1057 1.3177 1.3217 1.8521 1.8559 7.7382 7.7389 10.4331 10.4334 10.5724 10.5726 11.8153 11.8160 k = 0.0256 0.5000 0.4847 ( 3560 PWs) bands (ev): -71.5476 -71.5476 -38.5002 -38.5001 -38.2271 -38.2270 -38.1898 -38.1898 -11.3760 -11.3760 -11.3032 -11.3032 -1.8944 -1.8931 -0.8090 -0.8082 -0.2032 -0.1996 1.1002 1.1034 1.3105 1.3183 1.8480 1.8555 7.7498 7.7511 10.4344 10.4351 10.5829 10.5832 11.8101 11.8115 k = 0.0385 0.5000 0.4847 ( 3556 PWs) bands (ev): -71.5476 -71.5476 -38.5002 -38.5001 -38.2271 -38.2270 -38.1898 -38.1898 -11.3750 -11.3749 -11.3027 -11.3027 -1.8916 -1.8898 -0.8051 -0.8039 -0.2132 -0.2078 1.0944 1.0991 1.2998 1.3115 1.8424 1.8536 7.7694 7.7713 10.4367 10.4378 10.6004 10.6008 11.8019 11.8039 k = 0.0513 0.5000 0.4847 ( 3556 PWs) bands (ev): -71.5476 -71.5476 -38.5002 -38.5001 -38.2271 -38.2270 -38.1898 -38.1898 -11.3735 -11.3734 -11.3020 -11.3020 -1.8877 -1.8852 -0.7997 -0.7981 -0.2266 -0.2195 1.0865 1.0928 1.2860 1.3012 1.8354 1.8500 7.7966 7.7991 10.4401 10.4415 10.6247 10.6253 11.7908 11.7935 k = 0.0641 0.5000 0.4847 ( 3552 PWs) bands (ev): -71.5476 -71.5476 -38.5002 -38.5001 -38.2271 -38.2270 -38.1898 -38.1898 -11.3717 -11.3715 -11.3011 -11.3011 -1.8826 -1.8795 -0.7926 -0.7906 -0.2432 -0.2345 1.0767 1.0843 1.2691 1.2877 1.8268 1.8447 7.8315 7.8346 10.4446 10.4463 10.6558 10.6566 11.7771 11.7805 k = 0.0769 0.5000 0.4847 ( 3564 PWs) bands (ev): -71.5476 -71.5476 -38.5003 -38.5001 -38.2271 -38.2270 -38.1899 -38.1899 -11.3694 -11.3692 -11.3000 -11.3000 -1.8765 -1.8727 -0.7840 -0.7815 -0.2629 -0.2525 1.0648 1.0738 1.2493 1.2711 1.8167 1.8376 7.8737 7.8773 10.4501 10.4523 10.6936 10.6944 11.7613 11.7652 k = 0.0897 0.5000 0.4847 ( 3568 PWs) bands (ev): -71.5476 -71.5476 -38.5003 -38.5001 -38.2272 -38.2270 -38.1899 -38.1899 -11.3668 -11.3665 -11.2988 -11.2988 -1.8692 -1.8648 -0.7738 -0.7709 -0.2854 -0.2734 1.0510 1.0612 1.2268 1.2516 1.8050 1.8286 7.9231 7.9272 10.4569 10.4595 10.7377 10.7386 11.7436 11.7482 k = 0.1026 0.5000 0.4847 ( 3568 PWs) bands (ev): -71.5476 -71.5476 -38.5003 -38.5001 -38.2272 -38.2270 -38.1899 -38.1899 -11.3637 -11.3635 -11.2974 -11.2973 -1.8609 -1.8558 -0.7620 -0.7587 -0.3104 -0.2968 1.0352 1.0465 1.2020 1.2294 1.7917 1.8178 7.9793 7.9839 10.4652 10.4681 10.7880 10.7888 11.7245 11.7297 k = 0.1154 0.5000 0.4847 ( 3568 PWs) bands (ev): -71.5476 -71.5476 -38.5003 -38.5001 -38.2272 -38.2270 -38.1899 -38.1899 -11.3604 -11.3601 -11.2958 -11.2958 -1.8517 -1.8458 -0.7487 -0.7449 -0.3375 -0.3225 1.0174 1.0297 1.1749 1.2048 1.7767 1.8050 8.0420 8.0470 10.4748 10.4781 10.8441 10.8449 11.7044 11.7102 k = 0.1282 0.5000 0.4847 ( 3572 PWs) bands (ev): -71.5476 -71.5476 -38.5004 -38.5001 -38.2272 -38.2270 -38.1900 -38.1900 -11.3567 -11.3563 -11.2940 -11.2940 -1.8415 -1.8350 -0.7339 -0.7297 -0.3664 -0.3500 0.9977 1.0109 1.1460 1.1781 1.7600 1.7902 8.1108 8.1162 10.4860 10.4898 10.9058 10.9064 11.6837 11.6902 k = 0.1410 0.5000 0.4847 ( 3572 PWs) bands (ev): -71.5476 -71.5476 -38.5004 -38.5001 -38.2272 -38.2270 -38.1900 -38.1900 -11.3527 -11.3523 -11.2922 -11.2922 -1.8306 -1.8234 -0.7176 -0.7129 -0.3968 -0.3790 0.9761 0.9900 1.1153 1.1494 1.7416 1.7735 8.1853 8.1910 10.4989 10.5031 10.9725 10.9729 11.6630 11.6703 k = 0.1538 0.5000 0.4847 ( 3576 PWs) bands (ev): -71.5476 -71.5476 -38.5004 -38.5002 -38.2273 -38.2270 -38.1901 -38.1901 -11.3484 -11.3480 -11.2902 -11.2902 -1.8190 -1.8110 -0.6999 -0.6947 -0.4282 -0.4091 0.9526 0.9672 1.0831 1.1191 1.7214 1.7549 8.2651 8.2710 10.5137 10.5184 11.0437 11.0437 11.6429 11.6510 k = 0.1667 0.5000 0.4847 ( 3564 PWs) bands (ev): -71.5476 -71.5476 -38.5004 -38.5001 -38.2273 -38.2270 -38.1901 -38.1901 -11.3438 -11.3434 -11.2880 -11.2880 -1.8069 -1.7980 -0.6808 -0.6752 -0.4601 -0.4399 0.9273 0.9424 1.0496 1.0873 1.6996 1.7343 8.3496 8.3557 10.5305 10.5356 11.1179 11.1187 11.6240 11.6332 k = 0.1795 0.5000 0.4847 ( 3564 PWs) bands (ev): -71.5476 -71.5476 -38.5004 -38.5002 -38.2273 -38.2270 -38.1901 -38.1901 -11.3391 -11.3387 -11.2858 -11.2858 -1.7942 -1.7846 -0.6604 -0.6545 -0.4921 -0.4709 0.9003 0.9159 1.0151 1.0543 1.6761 1.7119 8.4384 8.4446 10.5493 10.5550 11.1942 11.1961 11.6076 11.6182 k = 0.1923 0.5000 0.4847 ( 3568 PWs) bands (ev): -71.5476 -71.5476 -38.5005 -38.5002 -38.2273 -38.2270 -38.1902 -38.1902 -11.3341 -11.3337 -11.2835 -11.2835 -1.7813 -1.7709 -0.6390 -0.6332 -0.5233 -0.5015 0.8716 0.8876 0.9798 1.0204 1.6509 1.6878 8.5308 8.5372 10.5704 10.5768 11.2700 11.2737 11.5958 11.6083 k = 0.2051 0.5000 0.4847 ( 3568 PWs) bands (ev): -71.5476 -71.5476 -38.5005 -38.5002 -38.2273 -38.2270 -38.1902 -38.1902 -11.3290 -11.3285 -11.2811 -11.2811 -1.7683 -1.7570 -0.6172 -0.6131 -0.5513 -0.5307 0.8414 0.8576 0.9438 0.9858 1.6243 1.6620 8.6264 8.6327 10.5940 10.6010 11.3401 11.3461 11.5935 11.6088 k = 0.2179 0.5000 0.4847 ( 3568 PWs) bands (ev): -71.5476 -71.5476 -38.5005 -38.5002 -38.2274 -38.2270 -38.1902 -38.1902 -11.3237 -11.3232 -11.2787 -11.2787 -1.7553 -1.7432 -0.6069 -0.5987 -0.5631 -0.5545 0.8098 0.8262 0.9073 0.9505 1.5963 1.6346 8.7244 8.7307 10.6202 10.6279 11.3946 11.4027 11.6115 11.6290 k = 0.2308 0.5000 0.4847 ( 3564 PWs) bands (ev): -71.5475 -71.5475 -38.5005 -38.5002 -38.2274 -38.2270 -38.1903 -38.1903 -11.3183 -11.3179 -11.2762 -11.2762 -1.7426 -1.7297 -0.6267 -0.6027 -0.5532 -0.5463 0.7768 0.7934 0.8704 0.9150 1.5669 1.6058 8.8242 8.8304 10.6491 10.6576 11.4244 11.4318 11.6607 11.6777 k = 0.2436 0.5000 0.4847 ( 3564 PWs) bands (ev): -71.5475 -71.5475 -38.5006 -38.5002 -38.2274 -38.2271 -38.1903 -38.1903 -11.3129 -11.3124 -11.2737 -11.2736 -1.7303 -1.7166 -0.6523 -0.6250 -0.5307 -0.5207 0.7426 0.7594 0.8334 0.8792 1.5363 1.5756 8.9252 8.9311 10.6810 10.6903 11.4333 11.4384 11.7360 11.7509 k = 0.2564 0.5000 0.4847 ( 3556 PWs) bands (ev): -71.5475 -71.5475 -38.5006 -38.5002 -38.2274 -38.2271 -38.1903 -38.1903 -11.3074 -11.3069 -11.2711 -11.2711 -1.7187 -1.7043 -0.6772 -0.6486 -0.5036 -0.4924 0.7073 0.7243 0.7963 0.8434 1.5048 1.5444 9.0265 9.0321 10.7158 10.7261 11.4314 11.4344 11.8249 11.8380 k = 0.2692 0.5000 0.4847 ( 3556 PWs) bands (ev): -71.5475 -71.5475 -38.5006 -38.5003 -38.2274 -38.2271 -38.1904 -38.1904 -11.3019 -11.3014 -11.2686 -11.2686 -1.7079 -1.6929 -0.7001 -0.6706 -0.4747 -0.4624 0.6711 0.6883 0.7594 0.8077 1.4723 1.5121 9.1274 9.1327 10.7537 10.7651 11.4248 11.4264 11.9203 11.9321 k = 0.2821 0.5000 0.4847 ( 3560 PWs) bands (ev): -71.5475 -71.5475 -38.5006 -38.5003 -38.2274 -38.2271 -38.1904 -38.1904 -11.2965 -11.2960 -11.2661 -11.2661 -1.6982 -1.6827 -0.7203 -0.6902 -0.4445 -0.4311 0.6342 0.6514 0.7226 0.7722 1.4393 1.4790 9.2271 9.2320 10.7946 10.8072 11.4165 11.4172 12.0187 12.0299 k = 0.2949 0.5000 0.4847 ( 3560 PWs) bands (ev): -71.5475 -71.5475 -38.5006 -38.5003 -38.2274 -38.2271 -38.1905 -38.1905 -11.2911 -11.2907 -11.2636 -11.2636 -1.6898 -1.6739 -0.7375 -0.7069 -0.4131 -0.3986 0.5967 0.6140 0.6862 0.7370 1.4057 1.4454 9.3249 9.3293 10.8386 10.8525 11.4079 11.4080 12.1181 12.1290 k = 0.3077 0.5000 0.4847 ( 3564 PWs) bands (ev): -71.5475 -71.5475 -38.5006 -38.5003 -38.2274 -38.2271 -38.1905 -38.1905 -11.2859 -11.2854 -11.2612 -11.2612 -1.6827 -1.6666 -0.7513 -0.7204 -0.3808 -0.3651 0.5588 0.5762 0.6502 0.7022 1.3719 1.4114 9.4200 9.4238 10.8854 10.9006 11.3992 11.3996 12.2007 12.2045 k = 0.3205 0.5000 0.4847 ( 3568 PWs) bands (ev): -71.5475 -71.5475 -38.5007 -38.5004 -38.2274 -38.2272 -38.1906 -38.1906 -11.2808 -11.2803 -11.2589 -11.2589 -1.6771 -1.6610 -0.7615 -0.7307 -0.3476 -0.3306 0.5208 0.5381 0.6147 0.6678 1.3382 1.3772 9.5117 9.5148 10.9345 10.9511 11.3912 11.3918 12.1675 12.1813 k = 0.3333 0.5000 0.4847 ( 3568 PWs) bands (ev): -71.5475 -71.5475 -38.5007 -38.5004 -38.2275 -38.2272 -38.1906 -38.1906 -11.2758 -11.2754 -11.2566 -11.2566 -1.6730 -1.6572 -0.7681 -0.7377 -0.3136 -0.2952 0.4828 0.5000 0.5798 0.6339 1.3048 1.3431 9.5992 9.6018 10.9854 11.0035 11.3840 11.3849 12.1343 12.1498 k = 0.3462 0.5000 0.4847 ( 3568 PWs) bands (ev): -71.5475 -71.5475 -38.5007 -38.5004 -38.2275 -38.2272 -38.1906 -38.1906 -11.2711 -11.2707 -11.2545 -11.2544 -1.6704 -1.6550 -0.7712 -0.7414 -0.2790 -0.2591 0.4451 0.4621 0.5454 0.6004 1.2719 1.3094 9.6822 9.6841 11.0371 11.0567 11.3778 11.3788 12.1036 12.1204 k = 0.3590 0.5000 0.4847 ( 3560 PWs) bands (ev): -71.5475 -71.5475 -38.5007 -38.5004 -38.2274 -38.2272 -38.1907 -38.1906 -11.2666 -11.2662 -11.2524 -11.2524 -1.6692 -1.6544 -0.7710 -0.7420 -0.2439 -0.2223 0.4081 0.4247 0.5116 0.5673 1.2400 1.2763 9.7600 9.7613 11.0886 11.1095 11.3725 11.3736 12.0763 12.0943 k = 0.3718 0.5000 0.4847 ( 3560 PWs) bands (ev): -71.5475 -71.5475 -38.5007 -38.5005 -38.2274 -38.2272 -38.1907 -38.1907 -11.2624 -11.2621 -11.2505 -11.2505 -1.6691 -1.6552 -0.7676 -0.7399 -0.2082 -0.1850 0.3721 0.3881 0.4783 0.5346 1.2093 1.2443 9.8323 9.8330 11.1384 11.1604 11.3680 11.3692 12.0533 12.0723 k = 0.3846 0.5000 0.4847 ( 3552 PWs) bands (ev): -71.5475 -71.5475 -38.5007 -38.5005 -38.2274 -38.2272 -38.1907 -38.1907 -11.2585 -11.2582 -11.2487 -11.2487 -1.6700 -1.6571 -0.7616 -0.7355 -0.1723 -0.1472 0.3373 0.3527 0.4456 0.5021 1.1803 1.2134 9.8987 9.8990 11.1849 11.2077 11.3644 11.3655 12.0358 12.0555 k = 0.3974 0.5000 0.4847 ( 3564 PWs) bands (ev): -71.5475 -71.5475 -38.5007 -38.5005 -38.2274 -38.2273 -38.1908 -38.1908 -11.2550 -11.2547 -11.2471 -11.2471 -1.6717 -1.6600 -0.7535 -0.7292 -0.1362 -0.1091 0.3043 0.3189 0.4132 0.4697 1.1532 1.1842 9.9589 9.9591 11.2267 11.2496 11.3615 11.3626 12.0245 12.0443 k = 0.4103 0.5000 0.4847 ( 3564 PWs) bands (ev): -71.5475 -71.5475 -38.5007 -38.5005 -38.2274 -38.2273 -38.1908 -38.1908 -11.2518 -11.2515 -11.2456 -11.2456 -1.6738 -1.6634 -0.7438 -0.7215 -0.0999 -0.0707 0.2735 0.2870 0.3811 0.4374 1.1285 1.1570 10.0126 10.0132 11.2624 11.2847 11.3592 11.3602 12.0200 12.0393 k = 0.4231 0.5000 0.4847 ( 3568 PWs) bands (ev): -71.5475 -71.5475 -38.5007 -38.5005 -38.2274 -38.2273 -38.1908 -38.1908 -11.2490 -11.2487 -11.2443 -11.2443 -1.6762 -1.6671 -0.7331 -0.7132 -0.0637 -0.0324 0.2454 0.2575 0.3493 0.4049 1.1066 1.1321 10.0600 10.0607 11.2912 11.3120 11.3575 11.3584 12.0221 12.0400 k = 0.4359 0.5000 0.4847 ( 3572 PWs) bands (ev): -71.5475 -71.5475 -38.5007 -38.5006 -38.2274 -38.2273 -38.1908 -38.1908 -11.2466 -11.2463 -11.2432 -11.2432 -1.6785 -1.6709 -0.7221 -0.7049 -0.0278 0.0058 0.2205 0.2310 0.3176 0.3721 1.0877 1.1098 10.1007 10.1016 11.3132 11.3316 11.3562 11.3571 12.0296 12.0455 k = 0.4487 0.5000 0.4847 ( 3572 PWs) bands (ev): -71.5475 -71.5475 -38.5007 -38.5006 -38.2274 -38.2273 -38.1909 -38.1909 -11.2446 -11.2444 -11.2423 -11.2422 -1.6806 -1.6745 -0.7115 -0.6973 0.0079 0.0437 0.1994 0.2080 0.2861 0.3391 1.0723 1.0906 10.1346 10.1355 11.3290 11.3442 11.3553 11.3561 12.0407 12.0539 k = 0.4615 0.5000 0.4847 ( 3560 PWs) bands (ev): -71.5475 -71.5475 -38.5007 -38.5006 -38.2274 -38.2273 -38.1908 -38.1908 -11.2431 -11.2429 -11.2415 -11.2414 -1.6822 -1.6776 -0.7019 -0.6910 0.0430 0.0808 0.1825 0.1889 0.2550 0.3056 1.0606 1.0747 10.1614 10.1622 11.3397 11.3512 11.3548 11.3557 12.0530 12.0632 k = 0.4744 0.5000 0.4847 ( 3564 PWs) bands (ev): -71.5475 -71.5475 -38.5007 -38.5006 -38.2274 -38.2273 -38.1909 -38.1909 -11.2420 -11.2419 -11.2408 -11.2408 -1.6833 -1.6802 -0.6940 -0.6866 0.0773 0.1161 0.1704 0.1739 0.2254 0.2720 1.0528 1.0624 10.1809 10.1814 11.3467 11.3535 11.3545 11.3561 12.0643 12.0712 k = 0.4872 0.5000 0.4847 ( 3560 PWs) bands (ev): -71.5475 -71.5475 -38.5006 -38.5006 -38.2274 -38.2273 -38.1909 -38.1909 -11.2415 -11.2414 -11.2404 -11.2404 -1.6837 -1.6821 -0.6883 -0.6845 0.1102 0.1452 0.1617 0.1632 0.2033 0.2389 1.0490 1.0539 10.1927 10.1930 11.3511 11.3537 11.3545 11.3562 12.0726 12.0761 k = 0.5000 0.5000 0.4847 ( 3552 PWs) bands (ev): -71.5475 -71.5475 -38.5006 -38.5006 -38.2274 -38.2274 -38.1908 -38.1908 -11.2413 -11.2413 -11.2402 -11.2402 -1.6833 -1.6833 -0.6851 -0.6851 0.1393 0.1393 0.1599 0.1599 0.2099 0.2099 1.0494 1.0494 10.1967 10.1967 11.3532 11.3532 11.3552 11.3552 12.0767 12.0767 k = 0.5000 0.5000 0.4847 ( 3552 PWs) bands (ev): -71.5475 -71.5475 -38.5006 -38.5006 -38.2274 -38.2274 -38.1908 -38.1908 -11.2413 -11.2413 -11.2402 -11.2402 -1.6833 -1.6833 -0.6851 -0.6851 0.1393 0.1393 0.1599 0.1599 0.2099 0.2099 1.0494 1.0494 10.1967 10.1967 11.3532 11.3532 11.3552 11.3552 12.0767 12.0767 k = 0.4909 0.4909 0.4847 ( 3560 PWs) bands (ev): -71.5475 -71.5475 -38.5006 -38.5006 -38.2274 -38.2273 -38.1909 -38.1909 -11.2415 -11.2414 -11.2403 -11.2403 -1.6837 -1.6821 -0.6883 -0.6845 0.1106 0.1495 0.1562 0.1625 0.2043 0.2393 1.0490 1.0539 10.1927 10.1929 11.3509 11.3516 11.3562 11.3567 12.0726 12.0760 k = 0.4818 0.4818 0.4847 ( 3564 PWs) bands (ev): -71.5475 -71.5475 -38.5007 -38.5006 -38.2274 -38.2273 -38.1909 -38.1909 -11.2423 -11.2423 -11.2405 -11.2405 -1.6833 -1.6802 -0.6941 -0.6867 0.0803 0.1275 0.1527 0.1688 0.2315 0.2745 1.0528 1.0624 10.1809 10.1814 11.3432 11.3466 11.3593 11.3622 12.0637 12.0706 k = 0.4727 0.4727 0.4847 ( 3564 PWs) bands (ev): -71.5475 -71.5475 -38.5007 -38.5006 -38.2274 -38.2273 -38.1909 -38.1909 -11.2439 -11.2439 -11.2406 -11.2405 -1.6821 -1.6774 -0.7025 -0.6916 0.0510 0.1006 0.1501 0.1747 0.2682 0.3124 1.0606 1.0747 10.1617 10.1624 11.3312 11.3368 11.3656 11.3705 12.0503 12.0605 k = 0.4636 0.4636 0.4847 ( 3568 PWs) bands (ev): -71.5475 -71.5475 -38.5007 -38.5006 -38.2274 -38.2273 -38.1909 -38.1908 -11.2463 -11.2463 -11.2406 -11.2404 -1.6800 -1.6739 -0.7130 -0.6990 0.0233 0.0742 0.1483 0.1806 0.3080 0.3522 1.0723 1.0906 10.1356 10.1364 11.3149 11.3225 11.3746 11.3812 12.0325 12.0458 k = 0.4545 0.4545 0.4847 ( 3574 PWs) bands (ev): -71.5475 -71.5475 -38.5007 -38.5006 -38.2274 -38.2273 -38.1908 -38.1908 -11.2493 -11.2493 -11.2405 -11.2403 -1.6771 -1.6695 -0.7257 -0.7088 -0.0024 0.0495 0.1476 0.1867 0.3499 0.3937 1.0876 1.1097 10.1034 10.1040 11.2944 11.3038 11.3858 11.3939 12.0105 12.0268 k = 0.4455 0.4455 0.4847 ( 3568 PWs) bands (ev): -71.5475 -71.5475 -38.5007 -38.5005 -38.2275 -38.2273 -38.1908 -38.1908 -11.2530 -11.2530 -11.2404 -11.2402 -1.6734 -1.6643 -0.7401 -0.7207 -0.0260 0.0267 0.1479 0.1930 0.3933 0.4366 1.1062 1.1317 10.0656 10.0660 11.2699 11.2809 11.3989 11.4082 11.9847 12.0036 k = 0.4364 0.4364 0.4847 ( 3560 PWs) bands (ev): -71.5475 -71.5475 -38.5007 -38.5005 -38.2274 -38.2273 -38.1908 -38.1908 -11.2574 -11.2574 -11.2403 -11.2401 -1.6688 -1.6583 -0.7560 -0.7345 -0.0476 0.0059 0.1492 0.1996 0.4381 0.4807 1.1277 1.1561 10.0231 10.0232 11.2414 11.2538 11.4133 11.4237 11.9554 11.9767 k = 0.4273 0.4273 0.4847 ( 3560 PWs) bands (ev): -71.5475 -71.5475 -38.5007 -38.5005 -38.2274 -38.2272 -38.1907 -38.1907 -11.2624 -11.2624 -11.2402 -11.2399 -1.6632 -1.6513 -0.7731 -0.7500 -0.0670 -0.0128 0.1517 0.2065 0.4839 0.5260 1.1517 1.1826 9.9763 9.9767 11.2091 11.2226 11.4288 11.4401 11.9230 11.9463 k = 0.4182 0.4182 0.4847 ( 3560 PWs) bands (ev): -71.5475 -71.5475 -38.5007 -38.5005 -38.2275 -38.2272 -38.1907 -38.1907 -11.2680 -11.2680 -11.2401 -11.2397 -1.6567 -1.6435 -0.7912 -0.7666 -0.0843 -0.0294 0.1552 0.2137 0.5307 0.5721 1.1777 1.2107 9.9260 9.9270 11.1732 11.1875 11.4450 11.4571 11.8880 11.9129 k = 0.4091 0.4091 0.4847 ( 3560 PWs) bands (ev): -71.5475 -71.5475 -38.5007 -38.5004 -38.2275 -38.2272 -38.1907 -38.1907 -11.2742 -11.2742 -11.2399 -11.2395 -1.6492 -1.6347 -0.8099 -0.7843 -0.0995 -0.0438 0.1597 0.2212 0.5781 0.6189 1.2052 1.2400 9.8732 9.8748 11.1338 11.1485 11.4618 11.4744 11.8508 11.8770 k = 0.4000 0.4000 0.4847 ( 3562 PWs) bands (ev): -71.5475 -71.5475 -38.5007 -38.5004 -38.2275 -38.2272 -38.1907 -38.1906 -11.2810 -11.2810 -11.2398 -11.2393 -1.6407 -1.6249 -0.8290 -0.8025 -0.1125 -0.0562 0.1652 0.2291 0.6261 0.6663 1.2338 1.2701 9.8184 9.8208 11.0910 11.1060 11.4789 11.4920 11.8120 11.8391 k = 0.3909 0.3909 0.4847 ( 3566 PWs) bands (ev): -71.5475 -71.5475 -38.5007 -38.5004 -38.2275 -38.2272 -38.1906 -38.1906 -11.2883 -11.2883 -11.2396 -11.2391 -1.6311 -1.6141 -0.8481 -0.8212 -0.1235 -0.0666 0.1716 0.2374 0.6744 0.7140 1.2630 1.3005 9.7624 9.7655 11.0452 11.0601 11.4962 11.5095 11.7721 11.7996 k = 0.3818 0.3818 0.4847 ( 3570 PWs) bands (ev): -71.5475 -71.5475 -38.5007 -38.5004 -38.2275 -38.2272 -38.1906 -38.1906 -11.2961 -11.2961 -11.2394 -11.2389 -1.6204 -1.6022 -0.8672 -0.8398 -0.1324 -0.0749 0.1789 0.2461 0.7228 0.7619 1.2925 1.3309 9.7057 9.7097 10.9965 11.0109 11.5136 11.5271 11.7316 11.7592 k = 0.3727 0.3727 0.4847 ( 3568 PWs) bands (ev): -71.5475 -71.5475 -38.5007 -38.5004 -38.2275 -38.2271 -38.1905 -38.1905 -11.3045 -11.3044 -11.2392 -11.2387 -1.6085 -1.5892 -0.8858 -0.8583 -0.1393 -0.0812 0.1869 0.2552 0.7712 0.8097 1.3217 1.3609 9.6490 9.6539 10.9452 10.9589 11.5311 11.5447 11.6910 11.7183 k = 0.3636 0.3636 0.4847 ( 3560 PWs) bands (ev): -71.5475 -71.5475 -38.5006 -38.5003 -38.2275 -38.2271 -38.1905 -38.1905 -11.3132 -11.3132 -11.2390 -11.2385 -1.5955 -1.5751 -0.9039 -0.8763 -0.1443 -0.0857 0.1956 0.2647 0.8193 0.8572 1.3503 1.3901 9.5927 9.5986 10.8915 10.9043 11.5487 11.5622 11.6508 11.6776 k = 0.3545 0.3545 0.4847 ( 3560 PWs) bands (ev): -71.5475 -71.5475 -38.5006 -38.5003 -38.2274 -38.2271 -38.1904 -38.1904 -11.3225 -11.3224 -11.2389 -11.2383 -1.5812 -1.5599 -0.9211 -0.8936 -0.1474 -0.0883 0.2048 0.2746 0.8668 0.9043 1.3779 1.4181 9.5374 9.5442 10.8357 10.8473 11.5663 11.5797 11.6116 11.6375 k = 0.3455 0.3455 0.4847 ( 3564 PWs) bands (ev): -71.5475 -71.5475 -38.5006 -38.5003 -38.2274 -38.2271 -38.1904 -38.1904 -11.3321 -11.3321 -11.2387 -11.2381 -1.5657 -1.5434 -0.9375 -0.9100 -0.1487 -0.0891 0.2146 0.2848 0.9136 0.9506 1.4042 1.4447 9.4835 9.4913 10.7782 10.7883 11.5725 11.5853 11.5933 11.6023 k = 0.3364 0.3364 0.4847 ( 3556 PWs) bands (ev): -71.5475 -71.5475 -38.5006 -38.5002 -38.2274 -38.2270 -38.1903 -38.1903 -11.3421 -11.3421 -11.2385 -11.2379 -1.5489 -1.5257 -0.9526 -0.9254 -0.1483 -0.0882 0.2249 0.2953 0.9595 0.9960 1.4288 1.4696 9.4315 9.4402 10.7191 10.7277 11.5368 11.5597 11.6029 11.6161 k = 0.3273 0.3273 0.4847 ( 3560 PWs) bands (ev): -71.5475 -71.5475 -38.5006 -38.5002 -38.2274 -38.2270 -38.1903 -38.1903 -11.3524 -11.3524 -11.2384 -11.2377 -1.5308 -1.5066 -0.9665 -0.9395 -0.1463 -0.0857 0.2354 0.3060 1.0041 1.0402 1.4514 1.4924 9.3815 9.3912 10.6589 10.6657 11.5026 11.5240 11.6215 11.6341 k = 0.3182 0.3182 0.4847 ( 3564 PWs) bands (ev): -71.5475 -71.5475 -38.5006 -38.5002 -38.2274 -38.2270 -38.1903 -38.1903 -11.3630 -11.3630 -11.2382 -11.2376 -1.5113 -1.4863 -0.9790 -0.9522 -0.1427 -0.0816 0.2462 0.3169 1.0474 1.0831 1.4718 1.5129 9.3341 9.3447 10.5977 10.6028 11.4708 11.4905 11.6405 11.6527 k = 0.3091 0.3091 0.4847 ( 3564 PWs) bands (ev): -71.5476 -71.5476 -38.5005 -38.5001 -38.2274 -38.2270 -38.1902 -38.1902 -11.3739 -11.3739 -11.2381 -11.2374 -1.4904 -1.4647 -0.9900 -0.9634 -0.1377 -0.0762 0.2572 0.3279 1.0891 1.1244 1.4897 1.5310 9.2894 9.3010 10.5359 10.5392 11.4417 11.4597 11.6603 11.6719 k = 0.3000 0.3000 0.4847 ( 3564 PWs) bands (ev): -71.5476 -71.5476 -38.5005 -38.5001 -38.2274 -38.2269 -38.1902 -38.1901 -11.3850 -11.3850 -11.2380 -11.2373 -1.4682 -1.4417 -0.9993 -0.9730 -0.1314 -0.0694 0.2682 0.3390 1.1289 1.1638 1.5050 1.5464 9.2477 9.2602 10.4739 10.4753 11.4157 11.4319 11.6808 11.6918 k = 0.2909 0.2909 0.4847 ( 3568 PWs) bands (ev): -71.5476 -71.5476 -38.5005 -38.5001 -38.2274 -38.2269 -38.1901 -38.1901 -11.3963 -11.3963 -11.2379 -11.2372 -1.4445 -1.4173 -1.0069 -0.9808 -0.1238 -0.0614 0.2792 0.3499 1.1667 1.2013 1.5175 1.5590 9.2092 9.2226 10.4114 10.4117 11.3931 11.4075 11.7023 11.7126 k = 0.2818 0.2818 0.4847 ( 3564 PWs) bands (ev): -71.5476 -71.5476 -38.5005 -38.5000 -38.2273 -38.2269 -38.1900 -38.1900 -11.4077 -11.4077 -11.2378 -11.2371 -1.4195 -1.3915 -1.0126 -0.9868 -0.1152 -0.0524 0.2900 0.3608 1.2023 1.2365 1.5270 1.5687 9.1740 9.1882 10.3477 10.3498 11.3742 11.3869 11.7248 11.7345 k = 0.2727 0.2727 0.4847 ( 3568 PWs) bands (ev): -71.5476 -71.5476 -38.5005 -38.5000 -38.2273 -38.2269 -38.1900 -38.1900 -11.4193 -11.4192 -11.2377 -11.2370 -1.3930 -1.3644 -1.0165 -0.9909 -0.1056 -0.0423 0.3006 0.3713 1.2354 1.2693 1.5336 1.5754 9.1421 9.1572 10.2845 10.2882 11.3592 11.3702 11.7486 11.7575 k = 0.2636 0.2636 0.4847 ( 3564 PWs) bands (ev): -71.5476 -71.5476 -38.5004 -38.5000 -38.2273 -38.2269 -38.1899 -38.1899 -11.4309 -11.4308 -11.2377 -11.2369 -1.3651 -1.3358 -1.0184 -0.9930 -0.0950 -0.0313 0.3107 0.3815 1.2660 1.2996 1.5372 1.5791 9.1137 9.1295 10.2221 10.2273 11.3485 11.3578 11.7738 11.7818 k = 0.2545 0.2545 0.4847 ( 3566 PWs) bands (ev): -71.5476 -71.5476 -38.5004 -38.5000 -38.2273 -38.2268 -38.1899 -38.1898 -11.4425 -11.4425 -11.2377 -11.2369 -1.3359 -1.3059 -1.0184 -0.9931 -0.0838 -0.0197 0.3203 0.3911 1.2939 1.3272 1.5379 1.5799 9.0886 9.1052 10.1606 10.1672 11.3422 11.3500 11.8004 11.8077 k = 0.2455 0.2455 0.4847 ( 3570 PWs) bands (ev): -71.5476 -71.5476 -38.5004 -38.4999 -38.2273 -38.2268 -38.1898 -38.1898 -11.4542 -11.4541 -11.2377 -11.2369 -1.3053 -1.2747 -1.0163 -0.9912 -0.0720 -0.0074 0.3291 0.4000 1.3189 1.3519 1.5356 1.5777 9.0669 9.0842 10.1001 10.1080 11.3407 11.3470 11.8287 11.8351 k = 0.2364 0.2364 0.4847 ( 3570 PWs) bands (ev): -71.5476 -71.5476 -38.5004 -38.4999 -38.2273 -38.2268 -38.1898 -38.1897 -11.4658 -11.4657 -11.2377 -11.2369 -1.2733 -1.2421 -1.0121 -0.9871 -0.0596 0.0054 0.3372 0.4082 1.3409 1.3738 1.5305 1.5728 9.0484 9.0663 10.0409 10.0500 11.3440 11.3490 11.8588 11.8642 k = 0.2273 0.2273 0.4847 ( 3570 PWs) bands (ev): -71.5476 -71.5476 -38.5003 -38.4999 -38.2272 -38.2268 -38.1897 -38.1897 -11.4773 -11.4772 -11.2377 -11.2370 -1.2400 -1.2082 -1.0058 -0.9809 -0.0470 0.0186 0.3442 0.4153 1.3600 1.3925 1.5228 1.5652 9.0331 9.0515 9.9830 9.9931 11.3524 11.3563 11.8906 11.8952 k = 0.2182 0.2182 0.4847 ( 3570 PWs) bands (ev): -71.5476 -71.5476 -38.5003 -38.4999 -38.2272 -38.2268 -38.1896 -38.1896 -11.4887 -11.4886 -11.2378 -11.2371 -1.2054 -1.1730 -0.9974 -0.9725 -0.0341 0.0319 0.3501 0.4212 1.3760 1.4083 1.5127 1.5552 9.0207 9.0396 9.9267 9.9377 11.3661 11.3689 11.9243 11.9279 k = 0.2091 0.2091 0.4847 ( 3566 PWs) bands (ev): -71.5476 -71.5476 -38.5003 -38.4998 -38.2272 -38.2267 -38.1896 -38.1896 -11.4999 -11.4999 -11.2379 -11.2371 -1.1696 -1.1366 -0.9869 -0.9620 -0.0212 0.0453 0.3546 0.4257 1.3888 1.4209 1.5004 1.5430 9.0111 9.0304 9.8719 9.8836 11.3852 11.3870 11.9597 11.9625 k = 0.2000 0.2000 0.4847 ( 3566 PWs) bands (ev): -71.5476 -71.5476 -38.5002 -38.4998 -38.2272 -38.2267 -38.1895 -38.1895 -11.5110 -11.5109 -11.2379 -11.2373 -1.1326 -1.0990 -0.9742 -0.9493 -0.0084 0.0586 0.3575 0.4286 1.3986 1.4304 1.4863 1.5290 9.0040 9.0236 9.8188 9.8311 11.4096 11.4106 11.9969 11.9987 k = 0.1909 0.1909 0.4847 ( 3558 PWs) bands (ev): -71.5476 -71.5476 -38.5002 -38.4998 -38.2271 -38.2267 -38.1894 -38.1894 -11.5218 -11.5218 -11.2381 -11.2374 -1.0946 -1.0603 -0.9594 -0.9345 0.0041 0.0716 0.3587 0.4297 1.4052 1.4367 1.4708 1.5135 8.9993 9.0190 9.7675 9.7802 11.4394 11.4397 12.0356 12.0365 k = 0.1818 0.1818 0.4847 ( 3566 PWs) bands (ev): -71.5476 -71.5476 -38.5002 -38.4998 -38.2271 -38.2267 -38.1894 -38.1894 -11.5324 -11.5323 -11.2382 -11.2375 -1.0555 -1.0206 -0.9425 -0.9175 0.0163 0.0842 0.3578 0.4286 1.4087 1.4399 1.4544 1.4968 8.9966 9.0164 9.7180 9.7310 11.4743 11.4746 12.0755 12.0755 k = 0.1727 0.1727 0.4847 ( 3570 PWs) bands (ev): -71.5476 -71.5476 -38.5002 -38.4998 -38.2271 -38.2267 -38.1893 -38.1893 -11.5426 -11.5426 -11.2383 -11.2377 -1.0155 -0.9801 -0.9235 -0.8983 0.0279 0.0963 0.3548 0.4253 1.4088 1.4378 1.4398 1.4798 8.9957 9.0155 9.6703 9.6835 11.5143 11.5150 12.1146 12.1160 k = 0.1636 0.1636 0.4847 ( 3572 PWs) bands (ev): -71.5476 -71.5476 -38.5001 -38.4998 -38.2271 -38.2267 -38.1893 -38.1893 -11.5526 -11.5526 -11.2385 -11.2379 -0.9747 -0.9387 -0.9025 -0.8770 0.0388 0.1075 0.3494 0.4194 1.4041 1.4229 1.4358 1.4634 8.9964 9.0160 9.6247 9.6379 11.5596 11.5605 12.1162 12.1345 k = 0.1545 0.1545 0.4847 ( 3576 PWs) bands (ev): -71.5476 -71.5476 -38.5001 -38.4997 -38.2271 -38.2267 -38.1893 -38.1893 -11.5622 -11.5622 -11.2387 -11.2381 -0.9332 -0.8968 -0.8793 -0.8536 0.0488 0.1179 0.3414 0.4107 1.3925 1.4125 1.4266 1.4495 8.9984 9.0178 9.5811 9.5942 11.6096 11.6106 12.0843 12.1020 k = 0.1455 0.1455 0.4847 ( 3568 PWs) bands (ev): -71.5476 -71.5476 -38.5001 -38.4997 -38.2270 -38.2267 -38.1892 -38.1892 -11.5714 -11.5714 -11.2388 -11.2383 -0.8912 -0.8546 -0.8541 -0.8277 0.0578 0.1272 0.3307 0.3990 1.3767 1.4044 1.4124 1.4384 9.0016 9.0206 9.5395 9.5524 11.6640 11.6649 12.0544 12.0718 k = 0.1364 0.1364 0.4847 ( 3564 PWs) bands (ev): -71.5476 -71.5476 -38.5000 -38.4997 -38.2270 -38.2267 -38.1891 -38.1891 -11.5802 -11.5802 -11.2390 -11.2385 -0.8491 -0.8266 -0.8135 -0.7984 0.0656 0.1352 0.3172 0.3843 1.3602 1.3958 1.3959 1.4281 9.0056 9.0242 9.5001 9.5127 11.7217 11.7223 12.0274 12.0447 k = 0.1273 0.1273 0.4847 ( 3558 PWs) bands (ev): -71.5476 -71.5476 -38.5000 -38.4997 -38.2270 -38.2266 -38.1891 -38.1891 -11.5886 -11.5885 -11.2392 -11.2387 -0.8083 -0.7957 -0.7774 -0.7620 0.0721 0.1417 0.3007 0.3664 1.3442 1.3790 1.3860 1.4172 9.0103 9.0283 9.4629 9.4751 11.7806 11.7806 12.0052 12.0226 k = 0.1182 0.1182 0.4847 ( 3558 PWs) bands (ev): -71.5476 -71.5476 -38.5000 -38.4997 -38.2269 -38.2266 -38.1890 -38.1890 -11.5965 -11.5964 -11.2394 -11.2389 -0.7723 -0.7582 -0.7448 -0.7202 0.0771 0.1466 0.2814 0.3452 1.3292 1.3625 1.3752 1.4053 9.0155 9.0327 9.4280 9.4397 11.8343 11.8348 11.9932 12.0105 k = 0.1091 0.1091 0.4847 ( 3550 PWs) bands (ev): -71.5476 -71.5476 -38.4999 -38.4996 -38.2269 -38.2266 -38.1890 -38.1890 -11.6039 -11.6039 -11.2395 -11.2391 -0.7389 -0.7165 -0.7119 -0.6773 0.0806 0.1497 0.2591 0.3209 1.3154 1.3468 1.3636 1.3926 9.0210 9.0374 9.3954 9.4065 11.8696 11.8705 12.0059 12.0210 k = 0.1000 0.1000 0.4847 ( 3558 PWs) bands (ev): -71.5476 -71.5476 -38.4999 -38.4996 -38.2269 -38.2266 -38.1890 -38.1890 -11.6108 -11.6108 -11.2397 -11.2393 -0.7049 -0.6777 -0.6742 -0.6344 0.0823 0.1509 0.2341 0.2936 1.3029 1.3322 1.3516 1.3794 9.0266 9.0420 9.3652 9.3757 11.8747 11.8788 12.0527 12.0636 k = 0.0909 0.0909 0.4847 ( 3554 PWs) bands (ev): -71.5476 -71.5476 -38.4999 -38.4996 -38.2269 -38.2266 -38.1889 -38.1889 -11.6172 -11.6171 -11.2399 -11.2395 -0.6698 -0.6424 -0.6321 -0.5920 0.0823 0.1501 0.2066 0.2635 1.2918 1.3188 1.3394 1.3658 9.0322 9.0466 9.3375 9.3472 11.8645 11.8704 12.1185 12.1266 k = 0.0818 0.0818 0.4847 ( 3556 PWs) bands (ev): -71.5476 -71.5476 -38.4998 -38.4996 -38.2269 -38.2266 -38.1889 -38.1889 -11.6230 -11.6230 -11.2400 -11.2397 -0.6336 -0.6059 -0.5907 -0.5507 0.0805 0.1472 0.1771 0.2309 1.2820 1.3065 1.3275 1.3524 9.0377 9.0509 9.3122 9.3211 11.8502 11.8566 12.1912 12.1977 k = 0.0727 0.0727 0.4847 ( 3560 PWs) bands (ev): -71.5476 -71.5476 -38.4998 -38.4996 -38.2268 -38.2266 -38.1889 -38.1889 -11.6282 -11.6282 -11.2402 -11.2399 -0.5965 -0.5686 -0.5504 -0.5108 0.0767 0.1421 0.1460 0.1962 1.2734 1.2954 1.3164 1.3393 9.0430 9.0550 9.2895 9.2976 11.8354 11.8417 12.2660 12.2715 k = 0.0636 0.0636 0.4847 ( 3560 PWs) bands (ev): -71.5476 -71.5476 -38.4998 -38.4996 -38.2268 -38.2266 -38.1888 -38.1888 -11.6329 -11.6329 -11.2403 -11.2400 -0.5587 -0.5308 -0.5117 -0.4728 0.0700 0.1151 0.1346 0.1602 1.2660 1.2854 1.3062 1.3270 9.0479 9.0586 9.2694 9.2766 11.8215 11.8274 12.3154 12.3250 k = 0.0545 0.0545 0.4847 ( 3568 PWs) bands (ev): -71.5476 -71.5476 -38.4998 -38.4997 -38.2268 -38.2267 -38.1888 -38.1888 -11.6370 -11.6370 -11.2404 -11.2402 -0.5206 -0.4929 -0.4748 -0.4374 0.0567 0.0889 0.1182 0.1300 1.2597 1.2763 1.2975 1.3158 9.0524 9.0617 9.2520 9.2582 11.8091 11.8143 12.3241 12.3325 k = 0.0455 0.0455 0.4847 ( 3564 PWs) bands (ev): -71.5476 -71.5476 -38.4998 -38.4996 -38.2268 -38.2267 -38.1888 -38.1888 -11.6405 -11.6404 -11.2405 -11.2403 -0.4828 -0.4558 -0.4405 -0.4053 0.0315 0.0742 0.0821 0.1174 1.2542 1.2683 1.2904 1.3060 9.0565 9.0644 9.2372 9.2425 11.7984 11.8029 12.3323 12.3395 k = 0.0364 0.0364 0.4847 ( 3568 PWs) bands (ev): -71.5476 -71.5476 -38.4998 -38.4997 -38.2268 -38.2267 -38.1888 -38.1888 -11.6433 -11.6433 -11.2406 -11.2404 -0.4461 -0.4207 -0.4092 -0.3773 0.0009 0.0444 0.0663 0.1058 1.2498 1.2611 1.2850 1.2976 9.0601 9.0664 9.2252 9.2294 11.7895 11.7932 12.3398 12.3457 k = 0.0273 0.0273 0.4847 ( 3572 PWs) bands (ev): -71.5476 -71.5476 -38.4997 -38.4997 -38.2268 -38.2267 -38.1888 -38.1888 -11.6455 -11.6455 -11.2406 -11.2405 -0.4119 -0.3897 -0.3814 -0.3541 -0.0285 0.0081 0.0616 0.0940 1.2464 1.2550 1.2813 1.2908 9.0630 9.0678 9.2160 9.2192 11.7827 11.7855 12.3463 12.3509 k = 0.0182 0.0182 0.4847 ( 3572 PWs) bands (ev): -71.5476 -71.5476 -38.4997 -38.4997 -38.2267 -38.2267 -38.1888 -38.1888 -11.6471 -11.6471 -11.2407 -11.2406 -0.3827 -0.3661 -0.3575 -0.3363 -0.0524 -0.0247 0.0595 0.0827 1.2443 1.2501 1.2792 1.2856 9.0654 9.0687 9.2095 9.2116 11.7779 11.7798 12.3515 12.3546 k = 0.0091 0.0091 0.4847 ( 3576 PWs) bands (ev): -71.5476 -71.5476 -38.4997 -38.4997 -38.2267 -38.2267 -38.1888 -38.1888 -11.6481 -11.6481 -11.2407 -11.2407 -0.3620 -0.3532 -0.3382 -0.3260 -0.0663 -0.0508 0.0607 0.0728 1.2435 1.2465 1.2787 1.2819 9.0672 9.0688 9.2058 9.2069 11.7753 11.7762 12.3551 12.3566 k = 0.0000 0.0000 0.4847 ( 3588 PWs) bands (ev): -71.5476 -71.5476 -38.4997 -38.4997 -38.2267 -38.2267 -38.1888 -38.1888 -11.6484 -11.6484 -11.2407 -11.2407 -0.3520 -0.3520 -0.3264 -0.3264 -0.0659 -0.0659 0.0652 0.0652 1.2442 1.2442 1.2795 1.2795 9.0683 9.0683 9.2049 9.2049 11.7747 11.7747 12.3568 12.3568 k = 0.0000 0.5000-0.0000 ( 3542 PWs) bands (ev): -71.5476 -71.5476 -38.4999 -38.4999 -38.2267 -38.2267 -38.1898 -38.1898 -11.4507 -11.4507 -11.3663 -11.3663 -1.3051 -1.3051 -0.2781 -0.2781 0.3149 0.3149 0.7718 0.7718 0.9887 0.9887 1.2327 1.2327 9.0773 9.0773 10.1930 10.1930 10.6512 10.6512 12.1677 12.1677 k = 0.0000 0.5000 0.0128 ( 3546 PWs) bands (ev): -71.5476 -71.5476 -38.4999 -38.4999 -38.2267 -38.2267 -38.1898 -38.1898 -11.4506 -11.4506 -11.3662 -11.3662 -1.3062 -1.3062 -0.2780 -0.2780 0.3106 0.3106 0.7724 0.7724 0.9926 0.9926 1.2329 1.2329 9.0737 9.0737 10.1975 10.1975 10.6544 10.6544 12.1622 12.1622 k = 0.0000 0.5000 0.0255 ( 3550 PWs) bands (ev): -71.5476 -71.5476 -38.4999 -38.4999 -38.2268 -38.2268 -38.1898 -38.1898 -11.4502 -11.4502 -11.3659 -11.3659 -1.3097 -1.3097 -0.2776 -0.2776 0.2978 0.2978 0.7743 0.7743 1.0037 1.0037 1.2336 1.2336 9.0630 9.0630 10.2107 10.2107 10.6640 10.6640 12.1459 12.1459 k = 0.0000 0.5000 0.0383 ( 3546 PWs) bands (ev): -71.5476 -71.5476 -38.4999 -38.4999 -38.2268 -38.2268 -38.1898 -38.1898 -11.4496 -11.4496 -11.3653 -11.3653 -1.3153 -1.3153 -0.2769 -0.2769 0.2774 0.2774 0.7773 0.7773 1.0214 1.0214 1.2347 1.2347 9.0455 9.0455 10.2325 10.2325 10.6799 10.6799 12.1194 12.1194 k = 0.0000 0.5000 0.0510 ( 3546 PWs) bands (ev): -71.5476 -71.5476 -38.4999 -38.4999 -38.2268 -38.2268 -38.1898 -38.1898 -11.4488 -11.4488 -11.3646 -11.3646 -1.3232 -1.3232 -0.2760 -0.2760 0.2506 0.2506 0.7815 0.7815 1.0443 1.0443 1.2363 1.2363 9.0217 9.0217 10.2624 10.2624 10.7020 10.7020 12.0834 12.0834 k = 0.0000 0.5000 0.0638 ( 3546 PWs) bands (ev): -71.5476 -71.5476 -38.4999 -38.4999 -38.2268 -38.2268 -38.1898 -38.1898 -11.4477 -11.4477 -11.3637 -11.3637 -1.3332 -1.3332 -0.2749 -0.2749 0.2186 0.2186 0.7869 0.7869 1.0713 1.0713 1.2385 1.2385 8.9924 8.9924 10.2999 10.2999 10.7301 10.7301 12.0390 12.0390 k = 0.0000 0.5000 0.0765 ( 3546 PWs) bands (ev): -71.5476 -71.5476 -38.4999 -38.4999 -38.2268 -38.2268 -38.1898 -38.1898 -11.4464 -11.4464 -11.3626 -11.3626 -1.3452 -1.3452 -0.2735 -0.2735 0.1825 0.1825 0.7934 0.7934 1.1009 1.1009 1.2415 1.2415 8.9581 8.9581 10.3445 10.3445 10.7639 10.7639 11.9874 11.9874 k = 0.0000 0.5000 0.0893 ( 3548 PWs) bands (ev): -71.5476 -71.5476 -38.5000 -38.5000 -38.2268 -38.2268 -38.1898 -38.1898 -11.4448 -11.4448 -11.3612 -11.3612 -1.3591 -1.3591 -0.2719 -0.2719 0.1433 0.1433 0.8010 0.8010 1.1321 1.1321 1.2455 1.2455 8.9194 8.9194 10.3957 10.3957 10.8032 10.8032 11.9298 11.9298 k = 0.0000 0.5000 0.1020 ( 3560 PWs) bands (ev): -71.5476 -71.5476 -38.5000 -38.5000 -38.2268 -38.2268 -38.1898 -38.1898 -11.4431 -11.4431 -11.3598 -11.3598 -1.3748 -1.3748 -0.2701 -0.2701 0.1018 0.1018 0.8096 0.8096 1.1631 1.1631 1.2514 1.2514 8.8771 8.8771 10.4530 10.4530 10.8473 10.8473 11.8672 11.8672 k = 0.0000 0.5000 0.1148 ( 3560 PWs) bands (ev): -71.5476 -71.5476 -38.5000 -38.5000 -38.2268 -38.2268 -38.1898 -38.1898 -11.4411 -11.4411 -11.3581 -11.3581 -1.3921 -1.3921 -0.2682 -0.2682 0.0586 0.0586 0.8190 0.8190 1.1917 1.1917 1.2610 1.2610 8.8317 8.8317 10.5161 10.5161 10.8956 10.8956 11.8010 11.8010 k = 0.0000 0.5000 0.1276 ( 3564 PWs) bands (ev): -71.5476 -71.5476 -38.5000 -38.5000 -38.2268 -38.2268 -38.1898 -38.1898 -11.4390 -11.4390 -11.3563 -11.3563 -1.4108 -1.4108 -0.2662 -0.2662 0.0144 0.0144 0.8293 0.8293 1.2140 1.2140 1.2776 1.2776 8.7837 8.7837 10.5845 10.5845 10.9472 10.9472 11.7319 11.7319 k = 0.0000 0.5000 0.1403 ( 3564 PWs) bands (ev): -71.5476 -71.5476 -38.5000 -38.5000 -38.2268 -38.2268 -38.1898 -38.1898 -11.4367 -11.4367 -11.3543 -11.3543 -1.4309 -1.4309 -0.2640 -0.2640 -0.0304 -0.0304 0.8404 0.8404 1.2283 1.2283 1.3026 1.3026 8.7337 8.7337 10.6580 10.6580 11.0004 11.0004 11.6609 11.6609 k = 0.0000 0.5000 0.1531 ( 3560 PWs) bands (ev): -71.5476 -71.5476 -38.5000 -38.5000 -38.2268 -38.2268 -38.1898 -38.1898 -11.4343 -11.4343 -11.3523 -11.3523 -1.4521 -1.4521 -0.2620 -0.2620 -0.0754 -0.0754 0.8521 0.8521 1.2372 1.2372 1.3329 1.3329 8.6820 8.6820 10.7362 10.7362 11.0531 11.0531 11.5888 11.5888 k = 0.0000 0.5000 0.1658 ( 3558 PWs) bands (ev): -71.5476 -71.5476 -38.5000 -38.5000 -38.2268 -38.2268 -38.1898 -38.1898 -11.4317 -11.4317 -11.3501 -11.3501 -1.4743 -1.4743 -0.2602 -0.2602 -0.1200 -0.1200 0.8643 0.8643 1.2436 1.2436 1.3656 1.3656 8.6292 8.6292 10.8187 10.8187 11.1020 11.1020 11.5161 11.5161 k = 0.0000 0.5000 0.1786 ( 3558 PWs) bands (ev): -71.5476 -71.5476 -38.5000 -38.5000 -38.2269 -38.2269 -38.1898 -38.1898 -11.4289 -11.4289 -11.3477 -11.3477 -1.4973 -1.4973 -0.2595 -0.2595 -0.1632 -0.1632 0.8770 0.8770 1.2489 1.2489 1.3989 1.3989 8.5755 8.5755 10.9052 10.9052 11.1425 11.1425 11.4435 11.4435 k = 0.0000 0.5000 0.1913 ( 3572 PWs) bands (ev): -71.5476 -71.5476 -38.5000 -38.5000 -38.2269 -38.2269 -38.1898 -38.1898 -11.4261 -11.4261 -11.3453 -11.3453 -1.5208 -1.5208 -0.2623 -0.2623 -0.2023 -0.2023 0.8901 0.8901 1.2537 1.2537 1.4321 1.4321 8.5214 8.5214 10.9953 10.9953 11.1696 11.1696 11.3714 11.3714 k = 0.0000 0.5000 0.2041 ( 3572 PWs) bands (ev): -71.5476 -71.5476 -38.5001 -38.5001 -38.2269 -38.2269 -38.1898 -38.1898 -11.4232 -11.4232 -11.3429 -11.3429 -1.5449 -1.5449 -0.2781 -0.2781 -0.2276 -0.2276 0.9035 0.9035 1.2582 1.2582 1.4649 1.4649 8.4672 8.4672 11.0886 11.0886 11.1793 11.1793 11.3005 11.3005 k = 0.0000 0.5000 0.2168 ( 3568 PWs) bands (ev): -71.5476 -71.5476 -38.5001 -38.5001 -38.2269 -38.2269 -38.1898 -38.1898 -11.4202 -11.4202 -11.3403 -11.3403 -1.5691 -1.5691 -0.3115 -0.3115 -0.2345 -0.2345 0.9171 0.9171 1.2626 1.2626 1.4968 1.4968 8.4132 8.4132 11.1699 11.1699 11.1862 11.1862 11.2311 11.2311 k = 0.0000 0.5000 0.2296 ( 3572 PWs) bands (ev): -71.5476 -71.5476 -38.5001 -38.5001 -38.2269 -38.2269 -38.1898 -38.1898 -11.4172 -11.4172 -11.3378 -11.3378 -1.5935 -1.5935 -0.3507 -0.3507 -0.2344 -0.2344 0.9307 0.9307 1.2670 1.2670 1.5279 1.5279 8.3596 8.3596 11.1482 11.1482 11.1632 11.1632 11.2841 11.2841 k = 0.0000 0.5000 0.2424 ( 3568 PWs) bands (ev): -71.5476 -71.5476 -38.5001 -38.5001 -38.2269 -38.2269 -38.1898 -38.1898 -11.4142 -11.4142 -11.3352 -11.3352 -1.6179 -1.6179 -0.3906 -0.3906 -0.2326 -0.2326 0.9444 0.9444 1.2712 1.2712 1.5579 1.5579 8.3069 8.3069 11.0962 11.0962 11.1171 11.1171 11.3846 11.3846 k = 0.0000 0.5000 0.2551 ( 3564 PWs) bands (ev): -71.5476 -71.5476 -38.5001 -38.5001 -38.2269 -38.2269 -38.1898 -38.1898 -11.4111 -11.4111 -11.3326 -11.3326 -1.6419 -1.6419 -0.4298 -0.4298 -0.2300 -0.2300 0.9580 0.9580 1.2754 1.2754 1.5868 1.5868 8.2553 8.2553 11.0327 11.0327 11.0782 11.0782 11.4866 11.4866 k = 0.0000 0.5000 0.2679 ( 3564 PWs) bands (ev): -71.5476 -71.5476 -38.5001 -38.5001 -38.2270 -38.2270 -38.1898 -38.1898 -11.4081 -11.4081 -11.3300 -11.3300 -1.6656 -1.6656 -0.4679 -0.4679 -0.2272 -0.2272 0.9715 0.9715 1.2796 1.2796 1.6144 1.6144 8.2050 8.2050 10.9715 10.9715 11.0360 11.0360 11.5894 11.5894 k = 0.0000 0.5000 0.2806 ( 3568 PWs) bands (ev): -71.5476 -71.5476 -38.5001 -38.5001 -38.2270 -38.2270 -38.1898 -38.1898 -11.4051 -11.4051 -11.3275 -11.3275 -1.6888 -1.6888 -0.5046 -0.5046 -0.2242 -0.2242 0.9847 0.9847 1.2836 1.2836 1.6408 1.6408 8.1563 8.1563 10.9129 10.9129 10.9921 10.9921 11.6924 11.6924 k = 0.0000 0.5000 0.2934 ( 3568 PWs) bands (ev): -71.5476 -71.5476 -38.5001 -38.5001 -38.2270 -38.2270 -38.1898 -38.1898 -11.4021 -11.4021 -11.3250 -11.3250 -1.7113 -1.7113 -0.5398 -0.5398 -0.2212 -0.2212 0.9976 0.9976 1.2876 1.2876 1.6658 1.6658 8.1094 8.1094 10.8571 10.8571 10.9480 10.9480 11.7950 11.7950 k = 0.0000 0.5000 0.3061 ( 3572 PWs) bands (ev): -71.5476 -71.5476 -38.5001 -38.5001 -38.2270 -38.2270 -38.1898 -38.1898 -11.3993 -11.3993 -11.3226 -11.3226 -1.7330 -1.7330 -0.5731 -0.5731 -0.2182 -0.2182 1.0100 1.0100 1.2915 1.2915 1.6894 1.6894 8.0644 8.0644 10.8043 10.8043 10.9045 10.9045 11.8963 11.8963 k = 0.0000 0.5000 0.3189 ( 3578 PWs) bands (ev): -71.5476 -71.5476 -38.5001 -38.5001 -38.2270 -38.2270 -38.1898 -38.1898 -11.3965 -11.3965 -11.3202 -11.3202 -1.7538 -1.7538 -0.6047 -0.6047 -0.2153 -0.2153 1.0220 1.0220 1.2952 1.2952 1.7116 1.7116 8.0217 8.0217 10.7545 10.7545 10.8623 10.8623 11.9956 11.9956 k = 0.0000 0.5000 0.3316 ( 3584 PWs) bands (ev): -71.5476 -71.5476 -38.5002 -38.5002 -38.2270 -38.2270 -38.1898 -38.1898 -11.3939 -11.3939 -11.3180 -11.3180 -1.7735 -1.7735 -0.6343 -0.6343 -0.2125 -0.2125 1.0335 1.0335 1.2987 1.2987 1.7323 1.7323 7.9814 7.9814 10.7081 10.7081 10.8219 10.8219 12.0800 12.0800 k = 0.0000 0.5000 0.3444 ( 3576 PWs) bands (ev): -71.5476 -71.5476 -38.5001 -38.5001 -38.2270 -38.2270 -38.1898 -38.1898 -11.3913 -11.3913 -11.3158 -11.3158 -1.7920 -1.7920 -0.6618 -0.6618 -0.2098 -0.2098 1.0443 1.0443 1.3021 1.3021 1.7515 1.7515 7.9436 7.9436 10.6650 10.6650 10.7837 10.7837 12.0401 12.0401 k = 0.0000 0.5000 0.3572 ( 3572 PWs) bands (ev): -71.5476 -71.5476 -38.5001 -38.5001 -38.2270 -38.2270 -38.1898 -38.1898 -11.3890 -11.3890 -11.3138 -11.3138 -1.8093 -1.8093 -0.6873 -0.6873 -0.2073 -0.2073 1.0544 1.0544 1.3052 1.3052 1.7692 1.7692 7.9086 7.9086 10.6254 10.6254 10.7481 10.7481 12.0022 12.0022 k = 0.0000 0.5000 0.3699 ( 3576 PWs) bands (ev): -71.5476 -71.5476 -38.5002 -38.5002 -38.2270 -38.2270 -38.1898 -38.1898 -11.3868 -11.3868 -11.3120 -11.3120 -1.8252 -1.8252 -0.7105 -0.7105 -0.2049 -0.2049 1.0637 1.0637 1.3081 1.3081 1.7852 1.7852 7.8765 7.8765 10.5892 10.5892 10.7152 10.7152 11.9676 11.9676 k = 0.0000 0.5000 0.3827 ( 3584 PWs) bands (ev): -71.5476 -71.5476 -38.5002 -38.5002 -38.2271 -38.2271 -38.1898 -38.1898 -11.3848 -11.3848 -11.3103 -11.3103 -1.8397 -1.8397 -0.7314 -0.7314 -0.2027 -0.2027 1.0723 1.0723 1.3108 1.3108 1.7997 1.7997 7.8473 7.8473 10.5567 10.5567 10.6853 10.6853 11.9364 11.9364 k = 0.0000 0.5000 0.3954 ( 3584 PWs) bands (ev): -71.5476 -71.5476 -38.5002 -38.5002 -38.2271 -38.2271 -38.1898 -38.1898 -11.3830 -11.3830 -11.3087 -11.3087 -1.8527 -1.8527 -0.7501 -0.7501 -0.2008 -0.2008 1.0799 1.0799 1.3132 1.3132 1.8125 1.8125 7.8213 7.8213 10.5279 10.5279 10.6585 10.6585 11.9088 11.9088 k = 0.0000 0.5000 0.4082 ( 3572 PWs) bands (ev): -71.5476 -71.5476 -38.5002 -38.5002 -38.2271 -38.2271 -38.1898 -38.1898 -11.3814 -11.3814 -11.3074 -11.3074 -1.8640 -1.8640 -0.7663 -0.7663 -0.1990 -0.1990 1.0867 1.0867 1.3154 1.3154 1.8236 1.8236 7.7986 7.7986 10.5028 10.5028 10.6351 10.6351 11.8847 11.8847 k = 0.0000 0.5000 0.4209 ( 3560 PWs) bands (ev): -71.5476 -71.5476 -38.5001 -38.5001 -38.2270 -38.2270 -38.1898 -38.1898 -11.3800 -11.3800 -11.3062 -11.3062 -1.8738 -1.8738 -0.7801 -0.7801 -0.1975 -0.1975 1.0925 1.0925 1.3172 1.3172 1.8331 1.8331 7.7792 7.7792 10.4815 10.4815 10.6151 10.6151 11.8642 11.8642 k = 0.0000 0.5000 0.4337 ( 3560 PWs) bands (ev): -71.5476 -71.5476 -38.5001 -38.5001 -38.2270 -38.2270 -38.1898 -38.1898 -11.3789 -11.3789 -11.3053 -11.3053 -1.8818 -1.8818 -0.7915 -0.7915 -0.1963 -0.1963 1.0973 1.0973 1.3187 1.3187 1.8409 1.8409 7.7632 7.7632 10.4640 10.4640 10.5986 10.5986 11.8473 11.8473 k = 0.0000 0.5000 0.4465 ( 3562 PWs) bands (ev): -71.5476 -71.5476 -38.5002 -38.5002 -38.2270 -38.2270 -38.1898 -38.1898 -11.3780 -11.3780 -11.3045 -11.3045 -1.8881 -1.8881 -0.8004 -0.8004 -0.1953 -0.1953 1.1010 1.1010 1.3199 1.3199 1.8469 1.8469 7.7507 7.7507 10.4504 10.4504 10.5857 10.5857 11.8342 11.8342 k = 0.0000 0.5000 0.4592 ( 3566 PWs) bands (ev): -71.5476 -71.5476 -38.5002 -38.5002 -38.2270 -38.2270 -38.1898 -38.1898 -11.3774 -11.3774 -11.3040 -11.3040 -1.8926 -1.8926 -0.8067 -0.8067 -0.1946 -0.1946 1.1037 1.1037 1.3207 1.3207 1.8513 1.8513 7.7417 7.7417 10.4406 10.4406 10.5764 10.5764 11.8248 11.8248 k = 0.0000 0.5000 0.4720 ( 3566 PWs) bands (ev): -71.5476 -71.5476 -38.5002 -38.5002 -38.2271 -38.2271 -38.1898 -38.1898 -11.3770 -11.3770 -11.3037 -11.3037 -1.8953 -1.8953 -0.8105 -0.8105 -0.1942 -0.1942 1.1053 1.1053 1.3213 1.3213 1.8539 1.8539 7.7363 7.7363 10.4347 10.4347 10.5708 10.5708 11.8191 11.8191 k = 0.0000 0.5000 0.4847 ( 3564 PWs) bands (ev): -71.5476 -71.5476 -38.5002 -38.5002 -38.2270 -38.2270 -38.1898 -38.1898 -11.3769 -11.3769 -11.3036 -11.3036 -1.8962 -1.8962 -0.8118 -0.8118 -0.1941 -0.1941 1.1059 1.1059 1.3214 1.3214 1.8547 1.8547 7.7345 7.7345 10.4327 10.4327 10.5690 10.5690 11.8172 11.8172 k = 0.5000 0.5000-0.0000 ( 3548 PWs) bands (ev): -71.5475 -71.5475 -38.5004 -38.5004 -38.2271 -38.2271 -38.1909 -38.1909 -11.2953 -11.2953 -11.2942 -11.2942 -2.4249 -2.4249 -0.5337 -0.5337 0.3229 0.3229 0.8958 0.8958 0.8991 0.8991 2.0129 2.0129 8.7748 8.7748 8.7774 8.7774 10.4206 10.4206 12.4078 12.4078 k = 0.5000 0.5000 0.0128 ( 3548 PWs) bands (ev): -71.5475 -71.5475 -38.5004 -38.5004 -38.2271 -38.2271 -38.1909 -38.1909 -11.2952 -11.2952 -11.2941 -11.2941 -2.4241 -2.4241 -0.5329 -0.5329 0.3216 0.3216 0.8944 0.8944 0.8977 0.8977 2.0117 2.0117 8.7786 8.7786 8.7812 8.7812 10.4196 10.4196 12.4080 12.4080 k = 0.5000 0.5000 0.0255 ( 3548 PWs) bands (ev): -71.5475 -71.5475 -38.5004 -38.5004 -38.2271 -38.2271 -38.1909 -38.1909 -11.2950 -11.2950 -11.2938 -11.2938 -2.4216 -2.4216 -0.5306 -0.5306 0.3178 0.3178 0.8900 0.8900 0.8933 0.8933 2.0080 2.0080 8.7899 8.7899 8.7924 8.7924 10.4165 10.4165 12.4086 12.4086 k = 0.5000 0.5000 0.0383 ( 3568 PWs) bands (ev): -71.5475 -71.5475 -38.5005 -38.5005 -38.2271 -38.2271 -38.1909 -38.1909 -11.2945 -11.2945 -11.2934 -11.2934 -2.4175 -2.4175 -0.5267 -0.5267 0.3114 0.3114 0.8828 0.8828 0.8861 0.8861 2.0020 2.0020 8.8086 8.8086 8.8111 8.8111 10.4115 10.4115 12.4097 12.4097 k = 0.5000 0.5000 0.0510 ( 3584 PWs) bands (ev): -71.5476 -71.5476 -38.5005 -38.5005 -38.2272 -38.2272 -38.1910 -38.1910 -11.2939 -11.2939 -11.2928 -11.2928 -2.4118 -2.4118 -0.5213 -0.5213 0.3024 0.3024 0.8728 0.8728 0.8761 0.8761 1.9936 1.9936 8.8346 8.8346 8.8372 8.8372 10.4047 10.4047 12.4112 12.4112 k = 0.5000 0.5000 0.0638 ( 3568 PWs) bands (ev): -71.5475 -71.5475 -38.5005 -38.5005 -38.2271 -38.2271 -38.1909 -38.1909 -11.2931 -11.2931 -11.2920 -11.2920 -2.4045 -2.4045 -0.5144 -0.5144 0.2911 0.2911 0.8601 0.8601 0.8634 0.8634 1.9829 1.9829 8.8679 8.8679 8.8705 8.8705 10.3962 10.3962 12.4133 12.4133 k = 0.5000 0.5000 0.0765 ( 3580 PWs) bands (ev): -71.5475 -71.5475 -38.5005 -38.5005 -38.2272 -38.2272 -38.1910 -38.1910 -11.2921 -11.2921 -11.2910 -11.2910 -2.3955 -2.3955 -0.5060 -0.5060 0.2773 0.2773 0.8449 0.8449 0.8482 0.8482 1.9699 1.9699 8.9082 8.9082 8.9108 8.9108 10.3862 10.3862 12.4159 12.4159 k = 0.5000 0.5000 0.0893 ( 3572 PWs) bands (ev): -71.5475 -71.5475 -38.5005 -38.5005 -38.2271 -38.2271 -38.1909 -38.1909 -11.2910 -11.2910 -11.2899 -11.2899 -2.3850 -2.3850 -0.4960 -0.4960 0.2611 0.2611 0.8273 0.8273 0.8305 0.8305 1.9546 1.9546 8.9553 8.9553 8.9579 8.9579 10.3751 10.3751 12.4192 12.4192 k = 0.5000 0.5000 0.1020 ( 3572 PWs) bands (ev): -71.5475 -71.5475 -38.5005 -38.5005 -38.2271 -38.2271 -38.1909 -38.1909 -11.2897 -11.2897 -11.2886 -11.2886 -2.3729 -2.3729 -0.4846 -0.4846 0.2426 0.2426 0.8074 0.8074 0.8107 0.8107 1.9371 1.9371 9.0090 9.0090 9.0116 9.0116 10.3630 10.3630 12.4232 12.4232 k = 0.5000 0.5000 0.1148 ( 3568 PWs) bands (ev): -71.5475 -71.5475 -38.5005 -38.5005 -38.2271 -38.2271 -38.1909 -38.1909 -11.2883 -11.2883 -11.2872 -11.2872 -2.3592 -2.3592 -0.4718 -0.4718 0.2218 0.2218 0.7855 0.7855 0.7888 0.7888 1.9174 1.9174 9.0690 9.0690 9.0715 9.0715 10.3502 10.3502 12.4280 12.4280 k = 0.5000 0.5000 0.1276 ( 3568 PWs) bands (ev): -71.5475 -71.5475 -38.5005 -38.5005 -38.2271 -38.2271 -38.1909 -38.1909 -11.2867 -11.2867 -11.2856 -11.2856 -2.3440 -2.3440 -0.4575 -0.4575 0.1989 0.1989 0.7618 0.7618 0.7651 0.7651 1.8957 1.8957 9.1349 9.1349 9.1375 9.1375 10.3368 10.3368 12.4337 12.4337 k = 0.5000 0.5000 0.1403 ( 3568 PWs) bands (ev): -71.5475 -71.5475 -38.5005 -38.5005 -38.2272 -38.2272 -38.1909 -38.1909 -11.2850 -11.2850 -11.2839 -11.2839 -2.3274 -2.3274 -0.4418 -0.4418 0.1739 0.1739 0.7364 0.7364 0.7397 0.7397 1.8720 1.8720 9.2065 9.2065 9.2090 9.2090 10.3233 10.3233 12.4403 12.4403 k = 0.5000 0.5000 0.1531 ( 3568 PWs) bands (ev): -71.5475 -71.5475 -38.5005 -38.5005 -38.2272 -38.2272 -38.1909 -38.1909 -11.2832 -11.2832 -11.2821 -11.2821 -2.3092 -2.3092 -0.4247 -0.4247 0.1469 0.1469 0.7097 0.7097 0.7129 0.7129 1.8464 1.8464 9.2834 9.2834 9.2859 9.2859 10.3098 10.3098 12.4480 12.4480 k = 0.5000 0.5000 0.1658 ( 3576 PWs) bands (ev): -71.5475 -71.5475 -38.5005 -38.5005 -38.2272 -38.2272 -38.1909 -38.1909 -11.2813 -11.2813 -11.2802 -11.2802 -2.2897 -2.2897 -0.4064 -0.4064 0.1181 0.1181 0.6817 0.6817 0.6850 0.6850 1.8190 1.8190 9.3651 9.3651 9.3677 9.3677 10.2965 10.2965 12.4568 12.4568 k = 0.5000 0.5000 0.1786 ( 3576 PWs) bands (ev): -71.5475 -71.5475 -38.5005 -38.5005 -38.2272 -38.2272 -38.1909 -38.1909 -11.2793 -11.2793 -11.2782 -11.2782 -2.2687 -2.2687 -0.3867 -0.3867 0.0875 0.0875 0.6529 0.6529 0.6561 0.6561 1.7899 1.7899 9.4514 9.4514 9.4540 9.4540 10.2836 10.2836 12.4668 12.4668 k = 0.5000 0.5000 0.1913 ( 3568 PWs) bands (ev): -71.5475 -71.5475 -38.5005 -38.5005 -38.2272 -38.2272 -38.1909 -38.1909 -11.2772 -11.2772 -11.2762 -11.2762 -2.2465 -2.2465 -0.3659 -0.3659 0.0554 0.0554 0.6233 0.6233 0.6265 0.6265 1.7591 1.7591 9.5418 9.5418 9.5443 9.5443 10.2713 10.2713 12.4781 12.4781 k = 0.5000 0.5000 0.2041 ( 3560 PWs) bands (ev): -71.5475 -71.5475 -38.5005 -38.5005 -38.2272 -38.2272 -38.1909 -38.1909 -11.2751 -11.2751 -11.2740 -11.2740 -2.2229 -2.2229 -0.3440 -0.3440 0.0218 0.0218 0.5932 0.5932 0.5964 0.5964 1.7269 1.7269 9.6357 9.6357 9.6383 9.6383 10.2597 10.2597 12.4907 12.4907 k = 0.5000 0.5000 0.2168 ( 3572 PWs) bands (ev): -71.5475 -71.5475 -38.5005 -38.5005 -38.2272 -38.2272 -38.1909 -38.1909 -11.2729 -11.2729 -11.2718 -11.2718 -2.1982 -2.1982 -0.3211 -0.3211 -0.0130 -0.0130 0.5628 0.5628 0.5660 0.5660 1.6933 1.6933 9.7328 9.7328 9.7354 9.7354 10.2488 10.2488 12.5046 12.5046 k = 0.5000 0.5000 0.2296 ( 3572 PWs) bands (ev): -71.5475 -71.5475 -38.5005 -38.5005 -38.2272 -38.2272 -38.1909 -38.1909 -11.2707 -11.2707 -11.2696 -11.2696 -2.1723 -2.1723 -0.2974 -0.2974 -0.0487 -0.0487 0.5323 0.5323 0.5356 0.5356 1.6585 1.6585 9.8326 9.8326 9.8351 9.8351 10.2389 10.2389 12.5194 12.5194 k = 0.5000 0.5000 0.2424 ( 3572 PWs) bands (ev): -71.5475 -71.5475 -38.5006 -38.5006 -38.2272 -38.2272 -38.1909 -38.1909 -11.2685 -11.2685 -11.2674 -11.2674 -2.1453 -2.1453 -0.2735 -0.2735 -0.0848 -0.0848 0.5020 0.5020 0.5053 0.5053 1.6226 1.6226 9.9344 9.9344 9.9370 9.9370 10.2300 10.2300 12.5305 12.5305 k = 0.5000 0.5000 0.2551 ( 3564 PWs) bands (ev): -71.5475 -71.5475 -38.5005 -38.5005 -38.2272 -38.2272 -38.1909 -38.1909 -11.2663 -11.2663 -11.2652 -11.2652 -2.1174 -2.1174 -0.2505 -0.2505 -0.1200 -0.1200 0.4721 0.4721 0.4754 0.4754 1.5857 1.5857 10.0378 10.0378 10.0404 10.0404 10.2222 10.2222 12.5066 12.5066 k = 0.5000 0.5000 0.2679 ( 3564 PWs) bands (ev): -71.5475 -71.5475 -38.5006 -38.5006 -38.2273 -38.2273 -38.1909 -38.1909 -11.2640 -11.2640 -11.2630 -11.2630 -2.0885 -2.0885 -0.2327 -0.2327 -0.1498 -0.1498 0.4426 0.4426 0.4460 0.4460 1.5481 1.5481 10.1420 10.1420 10.1447 10.1447 10.2158 10.2158 12.4703 12.4703 k = 0.5000 0.5000 0.2806 ( 3564 PWs) bands (ev): -71.5475 -71.5475 -38.5006 -38.5006 -38.2273 -38.2273 -38.1909 -38.1909 -11.2618 -11.2618 -11.2608 -11.2608 -2.0590 -2.0590 -0.2352 -0.2352 -0.1591 -0.1591 0.4139 0.4139 0.4174 0.4174 1.5098 1.5098 10.2076 10.2076 10.2479 10.2479 10.2508 10.2508 12.4333 12.4333 k = 0.5000 0.5000 0.2934 ( 3564 PWs) bands (ev): -71.5475 -71.5475 -38.5006 -38.5006 -38.2273 -38.2273 -38.1909 -38.1909 -11.2597 -11.2597 -11.2586 -11.2586 -2.0288 -2.0288 -0.2627 -0.2627 -0.1433 -0.1433 0.3861 0.3861 0.3896 0.3896 1.4711 1.4711 10.2037 10.2037 10.3521 10.3521 10.3547 10.3547 12.3968 12.3968 k = 0.5000 0.5000 0.3061 ( 3548 PWs) bands (ev): -71.5475 -71.5475 -38.5005 -38.5005 -38.2273 -38.2273 -38.1909 -38.1909 -11.2576 -11.2576 -11.2565 -11.2565 -1.9981 -1.9981 -0.2989 -0.2989 -0.1183 -0.1183 0.3594 0.3594 0.3630 0.3630 1.4321 1.4321 10.2000 10.2000 10.4557 10.4557 10.4582 10.4582 12.3612 12.3612 k = 0.5000 0.5000 0.3189 ( 3564 PWs) bands (ev): -71.5475 -71.5475 -38.5006 -38.5006 -38.2273 -38.2273 -38.1909 -38.1909 -11.2556 -11.2556 -11.2545 -11.2545 -1.9671 -1.9671 -0.3375 -0.3375 -0.0907 -0.0907 0.3338 0.3338 0.3376 0.3376 1.3932 1.3932 10.1970 10.1970 10.5576 10.5576 10.5601 10.5601 12.3266 12.3266 k = 0.5000 0.5000 0.3316 ( 3564 PWs) bands (ev): -71.5475 -71.5475 -38.5006 -38.5006 -38.2273 -38.2273 -38.1909 -38.1909 -11.2536 -11.2536 -11.2526 -11.2526 -1.9360 -1.9360 -0.3766 -0.3766 -0.0621 -0.0621 0.3096 0.3096 0.3136 0.3136 1.3544 1.3544 10.1948 10.1948 10.6571 10.6571 10.6596 10.6596 12.2933 12.2933 k = 0.5000 0.5000 0.3444 ( 3560 PWs) bands (ev): -71.5475 -71.5475 -38.5006 -38.5006 -38.2273 -38.2273 -38.1909 -38.1909 -11.2518 -11.2518 -11.2507 -11.2507 -1.9050 -1.9050 -0.4156 -0.4156 -0.0331 -0.0331 0.2868 0.2868 0.2912 0.2912 1.3162 1.3162 10.1934 10.1934 10.7533 10.7533 10.7559 10.7559 12.2617 12.2617 k = 0.5000 0.5000 0.3572 ( 3560 PWs) bands (ev): -71.5475 -71.5475 -38.5006 -38.5006 -38.2273 -38.2273 -38.1909 -38.1909 -11.2501 -11.2501 -11.2490 -11.2490 -1.8745 -1.8745 -0.4538 -0.4538 -0.0043 -0.0043 0.2657 0.2657 0.2706 0.2706 1.2788 1.2788 10.1925 10.1925 10.8455 10.8455 10.8480 10.8480 12.2319 12.2319 k = 0.5000 0.5000 0.3699 ( 3560 PWs) bands (ev): -71.5475 -71.5475 -38.5006 -38.5006 -38.2273 -38.2273 -38.1909 -38.1909 -11.2485 -11.2485 -11.2474 -11.2474 -1.8447 -1.8447 -0.4908 -0.4908 0.0237 0.0237 0.2462 0.2462 0.2518 0.2518 1.2425 1.2425 10.1922 10.1922 10.9327 10.9327 10.9352 10.9352 12.2041 12.2041 k = 0.5000 0.5000 0.3827 ( 3560 PWs) bands (ev): -71.5475 -71.5475 -38.5006 -38.5006 -38.2273 -38.2273 -38.1909 -38.1909 -11.2470 -11.2470 -11.2460 -11.2460 -1.8159 -1.8159 -0.5261 -0.5261 0.0507 0.0507 0.2285 0.2285 0.2352 0.2352 1.2078 1.2078 10.1924 10.1924 11.0141 11.0141 11.0165 11.0165 12.1786 12.1786 k = 0.5000 0.5000 0.3954 ( 3564 PWs) bands (ev): -71.5475 -71.5475 -38.5006 -38.5006 -38.2274 -38.2274 -38.1909 -38.1909 -11.2457 -11.2457 -11.2447 -11.2447 -1.7887 -1.7887 -0.5593 -0.5593 0.0757 0.0757 0.2127 0.2127 0.2210 0.2210 1.1750 1.1750 10.1928 10.1928 11.0886 11.0886 11.0910 11.0910 12.1556 12.1556 k = 0.5000 0.5000 0.4082 ( 3564 PWs) bands (ev): -71.5475 -71.5475 -38.5006 -38.5006 -38.2274 -38.2274 -38.1909 -38.1909 -11.2446 -11.2446 -11.2435 -11.2435 -1.7635 -1.7635 -0.5898 -0.5898 0.0980 0.0980 0.1989 0.1989 0.2098 0.2098 1.1448 1.1448 10.1935 10.1935 11.1555 11.1555 11.1579 11.1579 12.1352 12.1352 k = 0.5000 0.5000 0.4209 ( 3560 PWs) bands (ev): -71.5475 -71.5475 -38.5006 -38.5006 -38.2274 -38.2274 -38.1909 -38.1909 -11.2436 -11.2436 -11.2425 -11.2425 -1.7407 -1.7407 -0.6171 -0.6171 0.1163 0.1163 0.1871 0.1871 0.2022 0.2022 1.1177 1.1177 10.1942 10.1942 11.2139 11.2139 11.2162 11.2162 12.1177 12.1177 k = 0.5000 0.5000 0.4337 ( 3560 PWs) bands (ev): -71.5475 -71.5475 -38.5006 -38.5006 -38.2274 -38.2274 -38.1909 -38.1909 -11.2427 -11.2427 -11.2417 -11.2417 -1.7211 -1.7211 -0.6405 -0.6405 0.1293 0.1293 0.1774 0.1774 0.1993 0.1993 1.0943 1.0943 10.1950 10.1950 11.2630 11.2630 11.2652 11.2652 12.1031 12.1031 k = 0.5000 0.5000 0.4465 ( 3568 PWs) bands (ev): -71.5475 -71.5475 -38.5006 -38.5006 -38.2274 -38.2274 -38.1909 -38.1909 -11.2421 -11.2421 -11.2410 -11.2410 -1.7050 -1.7050 -0.6595 -0.6595 0.1362 0.1362 0.1697 0.1697 0.2008 0.2008 1.0752 1.0752 10.1957 10.1957 11.3019 11.3019 11.3041 11.3041 12.0916 12.0916 k = 0.5000 0.5000 0.4592 ( 3568 PWs) bands (ev): -71.5475 -71.5475 -38.5006 -38.5006 -38.2274 -38.2274 -38.1909 -38.1909 -11.2416 -11.2416 -11.2406 -11.2406 -1.6931 -1.6931 -0.6736 -0.6736 0.1388 0.1388 0.1643 0.1643 0.2049 0.2049 1.0611 1.0611 10.1963 10.1963 11.3302 11.3302 11.3324 11.3324 12.0833 12.0833 k = 0.5000 0.5000 0.4720 ( 3560 PWs) bands (ev): -71.5475 -71.5475 -38.5006 -38.5006 -38.2274 -38.2274 -38.1909 -38.1909 -11.2414 -11.2414 -11.2403 -11.2403 -1.6858 -1.6858 -0.6822 -0.6822 0.1393 0.1393 0.1610 0.1610 0.2085 0.2085 1.0523 1.0523 10.1966 10.1966 11.3474 11.3474 11.3495 11.3495 12.0784 12.0784 k = 0.5000 0.5000 0.4847 ( 3552 PWs) bands (ev): -71.5475 -71.5475 -38.5006 -38.5006 -38.2274 -38.2274 -38.1908 -38.1908 -11.2413 -11.2413 -11.2402 -11.2402 -1.6833 -1.6833 -0.6851 -0.6851 0.1393 0.1393 0.1599 0.1599 0.2099 0.2099 1.0494 1.0494 10.1967 10.1967 11.3532 11.3532 11.3552 11.3552 12.0767 12.0767 Writing output data file MgCl2.save init_run : 0.41s CPU 0.74s WALL ( 1 calls) electrons : 197.53s CPU 199.74s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.04s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 197.52s CPU 199.70s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.03s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.02s WALL ( 1 calls) newd : 0.08s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.03s WALL ( 389 calls) cegterg : 187.87s CPU 189.68s WALL ( 964 calls) Called by sum_band: Called by *egterg: h_psi : 118.97s CPU 127.07s WALL ( 17251 calls) s_psi : 6.34s CPU 6.61s WALL ( 17251 calls) g_psi : 0.21s CPU 0.28s WALL ( 15898 calls) cdiaghg : 48.32s CPU 45.98s WALL ( 16287 calls) cegterg:over : 6.59s CPU 6.72s WALL ( 15898 calls) cegterg:upda : 1.99s CPU 3.15s WALL ( 15898 calls) cegterg:last : 1.49s CPU 2.11s WALL ( 2140 calls) Called by h_psi: h_psi:vloc : 111.08s CPU 117.75s WALL ( 17251 calls) h_psi:vnl : 7.85s CPU 9.13s WALL ( 17251 calls) add_vuspsi : 4.00s CPU 4.42s WALL ( 17251 calls) General routines calbec : 3.82s CPU 4.67s WALL ( 17251 calls) fft : 0.02s CPU 0.05s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 107.91s CPU 113.04s WALL ( 843428 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.09s CPU 0.15s WALL ( 778 calls) Parallel routines fft_scatter : 83.01s CPU 75.76s WALL ( 843451 calls) PWSCF : 3m34.70s CPU 3m43.32s WALL This run was terminated on: 12:28:26 23Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=